A0A087YGF4_POEFO Loading...

Carbohydrate sulfotransferase

AlphaFold DB , UniProt , Accession A0A087YGF4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 374 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.9Very low36.9Very low248 Ų248183.6 Ų183.6100%1.22288%0.878SS**  0137.30-86.3173-175.200108.5
2M34.7Very low36.4Very low198 Ų198187.5 Ų187.598%0.97588%0.877SS**  trans-62.3148.5-160.6-76.9177.4158.400116.2
3L36.3Very low36Very low168 Ų168191.5 Ų191.588%0.8888%0.88SS**  trans-69.1178.2158-97.4169.5000111.4
4P52.8Low35.6Very low113 Ų113184.3 Ų184.373%0.73486%0.862SS**  trans-106.3178.9-134.442.6-34.5000114.1
5R35.9Very low35.1Very low242 Ų242182.9 Ų182.991%0.91386%0.863SS**  trans-138.8117.5163.8-120.9178.7-178.5177.60112.7
6R36.9Very low34.8Very low234 Ų234175.7 Ų175.788%0.88385%0.852SS**  trans-75.5145.2153.2-104179.1170.6179.3-2.7108.7
7Q35.1Very low34.5Very low175 Ų175172.8 Ų172.882%0.81885%0.847SS**  trans-162.1126.1134.6-122.1169.4-2.700112.4
8D33.3Very low34.5Very low145 Ų145176.3 Ų176.378%0.77585%0.85SS**  trans-65.7156.6161.7-84.4-53.2000112.5
9Y35.6Very low34.3Very low230 Ų230173.1 Ų173.190%0.90285%0.847SS**  trans-168.3117.3135.9-103-78.5000106.2
10G33Very low34.1Very low67 Ų67167.9 Ų167.969%0.69184%0.841SS**  107.993.771.200000109
11K30.5Very low34.1Very low200 Ų200165.3 Ų165.387%0.8784%0.838SS**  66.6115.587.7-155.4-176.5-166.2177.30116.1
12R31.3Very low33.6Very low230 Ų230159 Ų15987%0.86881%0.813SS**  trans154.4121.9131.7-84.3178.7-169.9-147.63.5109.5
13R30.2Very low33.6Very low240 Ų240157 Ų15791%0.90681%0.805SS**  49.4132.777.5-87.4-170.3178.3-175.6-1111.3
14S30.2Very low33.3Very low90 Ų90155 Ų15563%0.62980%0.795SS**  cis175.4154.332.621.50000109.6
15D29.2Very low32.2Very low164 Ų164159.7 Ų159.788%0.87781%0.805SS**  trans64.2142.1137-55.3-23.4000124.6
16G29.3Very low31.8Very low67 Ų67158.8 Ų158.869%0.69180%0.801SS**  trans11595.5141.400000115.4
17V30.3Very low31.4Very low127 Ų127152.9 Ų152.977%0.7780%0.796SS**  88.9130661730000114.8
18R34.4Very low31.2Very low236 Ų236149.5 Ų149.589%0.89180%0.798SS**  trans72.8147.1159-80.9165.8-178.1-166.7-1.8117.4
19S31.7Very low30.9Very low114 Ų114146.4 Ų146.480%0.79780%0.8SS**  cis-161.6140.429.8-163.90000109.3
20G29.2Very low30.7Very low70 Ų70141.1 Ų141.172%0.72280%0.797SS**  84.6139.5110.700000113.1
21S33.4Very low31.2Very low113 Ų113144.2 Ų144.279%0.7981%0.805SS**  cis-174.4141.916.3-121.30000109.3
22V32.6Very low31Very low115 Ų115138.4 Ų138.470%0.69780%0.801SS**  trans55.4131.8135.6-146.90000117.6
23I34Very low31.1Very low157 Ų157133 Ų13381%0.80580%0.799SS**  -161.114563.7-69.8155.6000112.4
24N30.2Very low31.1Very low125 Ų125127.9 Ų127.967%0.66879%0.794SS**  trans-52.3156.6175.3-68.2-45.7000117.7
25F30Very low31.2Very low213 Ų213134.5 Ų134.593%0.93481%0.805SS**  -146.1132.9117.1-114.5-82.8000111.8
26R28.2Very low31.2Very low222 Ų222138.2 Ų138.284%0.83881%0.807SS**  trans-88.5150178-74.3173.1163.5179.9-5.2110.7
27S28.8Very low31.4Very low110 Ų110141 Ų14177%0.76982%0.816SS**  170.7115.3109.785.30000108.2
28A29.9Very low31.3Very low105 Ų105140.4 Ų140.487%0.86882%0.818SS**  81.4116.781.400000113.3
29G26.6Very low31.2Very low80 Ų80133.4 Ų133.483%0.82581%0.81SS**  trans161.684169.200000115.3
30S32.3Very low31.2Very low119 Ų119136.5 Ų136.583%0.83282%0.817SS**  trans-134.8151149.9-98.70000105.9
31P42.6Very low31.4Very low131 Ų131140.5 Ų140.585%0.85182%0.821SS**  cis-140.3166.737.436.5-16.3000115.5
32G27.3Very low31.5Very low78 Ų78140.7 Ų140.780%0.80482%0.819SS**  trans-17389.6171.500000112.8
33S33Very low31.7Very low116 Ų116139 Ų13981%0.81181%0.813SS**  trans-61.2131.4163.6168.70000110.1
34V29.7Very low31.8Very low133 Ų133137.3 Ų137.381%0.80681%0.809SS**  -172.5129.4125.9169.80000109.8
35R33.7Very low32.1Very low229 Ų229137.7 Ų137.786%0.86481%0.81SS**  trans-28.5138167.8-70.6165.4161.5175.3-6117.2
36R28.8Very low32.6Very low243 Ų243131.9 Ų131.992%0.91779%0.793SS**  -179.8115.299-99.3179.3176.7174.3-0.2110.5
37S32.8Very low33Very low126 Ų126128.7 Ų128.788%0.88179%0.785SS**  trans-77.6132.8167.8-45.90000109.8
38S29.3Very low33.3Very low114 Ų114130.2 Ų130.280%0.79778%0.784SS**  trans-13193.1158.244.90000108
39A30.5Very low33.9Very low89 Ų89130.6 Ų130.674%0.73678%0.775SS**  trans-66.5126.716700000108.9L41A39-L41 PolarHBondContact O-N 3.22Å
40L33.3Very low34.6Very low178 Ų178132 Ų13293%0.93276%0.763SS**  trans-74.9102.7167-71.2165.3000107.7
41L32.1Very low34.9Very low155 Ų155132.5 Ų132.581%0.81276%0.761SS**PPolyproline II helixtrans-69.5135.3169.7-75.8160.4000109.7A39 S43A39-L41 PolarHBondContact O-N 3.22Å; L41-S43 PolarHBondContact O-N 3.24Å
42P35.7Very low35.1Very low116 Ų116128.1 Ų128.175%0.75374%0.735SS**PPolyproline II helixtrans-62.9121.4167.5-15.528.8000109.3
43S36.4Very low36.4Very low80 Ų80127.9 Ų127.956%0.55972%0.721SS**PPolyproline II helixtrans-62.9137.8-175.967.60000112.1L41 L45L41-S43 PolarHBondContact O-N 3.24Å; S43-L45 PolarHBondContact O-N 2.72Å
44V36.3Very low37.1Very low122 Ų122124.3 Ų124.374%0.73970%0.703SS**G310 helixtrans-37.1-5.7172.3178.50000117.3F47V44-F47 PolarHBondContact O-N 3.49Å
45L36.6Very low37.9Very low132 Ų132118.9 Ų118.969%0.69167%0.674SS**G310 helixtrans-72.6-21.1176.9-97135.7000114.9S43 F47S43-L45 PolarHBondContact O-N 2.72Å; L45-F47 VanDerWaalsContact C-N 3.34Å
46T40.3Very low38.8Very low92 Ų92111 Ų11156%0.56465%0.648SS**G310 helixtrans-81.4-12.4176.246.50000113.7
47F37.7Very low39.8Very low154 Ų154104.7 Ų104.768%0.67563%0.632SS**THydrogen-bonded Turntrans-94.1-14.5179.4-97-87.4000114.7V44 L45 V49V44-F47 PolarHBondContact O-N 3.49Å; L45-F47 VanDerWaalsContact C-N 3.34Å; F47-V49 PolarHBondContact O-N 3.39Å
48L34.1Very low40.8Very low143 Ų143101.3 Ų101.375%0.74960%0.604SS**THydrogen-bonded Turntrans-76.1-8.5172.4-78.2168.5000113.5
49V42.3Very low41.9Very low112 Ų11297.8 Ų97.868%0.67958%0.576SS**THydrogen-bonded Turntrans-99.9-11.2-179.7-178.50000112.9F47F47-V49 PolarHBondContact O-N 3.39Å
50I41.1Very low43Very low111 Ų11198.1 Ų98.157%0.56956%0.564SS**THydrogen-bonded Turntrans-103-11.7-171.8-59.9179.1000114.1A52 S53I50-A52 VanDerWaalsContact C-N 3.27Å; I50-A52 PolarHBondContact O-N 3.37Å; I50-S53 PolarHBondContact O-OG 3.2Å
51V39Very low43.9Very low129 Ų12997 Ų9778%0.78255%0.554SS**SBendtrans-82.5-7.6172.9-176.40000112.3
52A46.6Very low44.9Very low39 Ų3995.6 Ų95.632%0.32254%0.541SS..SBendtrans-111.750-17500000112.9I50 L56I50-A52 VanDerWaalsContact C-N 3.27Å; I50-A52 PolarHBondContact O-N 3.37Å; A52-L56 VanDerWaalsContact C-CB 3.49Å; A52-L56 HydrophobicContact CB-CB 4.08Å; A52-L56 HydrophobicContact CB-CD1 4.38Å; A52-L56 HydrophobicContact CB-CD2 4Å; A52-L56 HydrophobicContact CB-CG 4.39Å; A52-L56 WeakPolarHBondContact O-CB 2.92Å; A52-L56 WeakPolarHBondContact O-CD2 3.09Å
53S56.2Low45.4Very low72 Ų7291.9 Ų91.950%0.50352%0.524SS..SBendtrans-126-11.7-179.143.90000115.2I50I50-S53 PolarHBondContact O-OG 3.2Å
54G47.2Very low46.4Very low41 Ų4188.5 Ų88.542%0.42350%0.5SS..SBendtrans-99.2-56168.900000112.8L57 L58G54-L57 PolarHBondContact O-N 3.32Å; G54-L58 PolarHBondContact O-N 3.35Å
55G46.7Very low46.8Very low20 Ų2085.6 Ų85.621%0.20648%0.48CS..Hα-helixtrans-69.4-36.2177.200000112.9L57 L58 M59G55-L57 VanDerWaalsContact C-N 3.35Å; G55-L58 PolarHBondContact O-N 3.35Å; G55-M59 WeakPolarHBondContact O-CB 3.47Å; G55-M59 WeakPolarHBondContact O-CG 3.43Å; G55-M59 PolarHBondContact O-N 2.88Å
56L51.5Low47Very low62 Ų6286.7 Ų86.733%0.32549%0.486SS..Hα-helixtrans-65.5-38.5175.1-16176.1000111.4A52 M59 I60 L65A52-L56 VanDerWaalsContact C-CB 3.49Å; A52-L56 HydrophobicContact CB-CB 4.08Å; A52-L56 HydrophobicContact CB-CD1 4.38Å; A52-L56 HydrophobicContact CB-CD2 4Å; A52-L56 HydrophobicContact CB-CG 4.39Å; A52-L56 WeakPolarHBondContact O-CB 2.92Å; A52-L56 WeakPolarHBondContact O-CD2 3.09Å; L56-M59 CarbonylContact O-C 3.52Å; L56-M59 PolarHBondContact O-N 3.28Å; L56-I60 HydrophobicContact CD2-CD1 4.22Å; L56-I60 HydrophobicContact CG-CD1 3.98Å; L56-I60 WeakPolarHBondContact O-CB 3.37Å; L56-I60 WeakPolarHBondContact O-CD1 3.02Å; L56-I60 WeakPolarHBondContact O-CG1 3.23Å; L56-I60 PolarHBondContact O-N 3.49Å; L56-L65 HydrophobicContact CD1-CD1 3.32Å; L56-L65 HydrophobicContact CD1-CD2 4.15Å; L56-L65 HydrophobicContact CD1-CG 4.34Å; L56-L65 HydrophobicContact CD2-CD1 4.45Å; L56-L65 HydrophobicContact CG-CD1 3.67Å
57L51Low47.1Very low111 Ų11187.5 Ų87.558%0.58150%0.495SS*.Hα-helixtrans-65.3-41.3177.7-126.799.6000111.5G54 G55 I60 E61G54-L57 PolarHBondContact O-N 3.32Å; G55-L57 VanDerWaalsContact C-N 3.35Å; L57-I60 CarbonylContact O-C 3.37Å; L57-I60 PolarHBondContact O-N 3.46Å; L57-E61 VanDerWaalsContact O-CB 3.24Å; L57-E61 WeakPolarHBondContact O-CB 3.38Å; L57-E61 PolarHBondContact O-N 3.08Å
58L52.8Low47Very low56 Ų5684.8 Ų84.829%0.29349%0.492SS..Hα-helixtrans-68.7-34.8173.8-74173.3000112.6G54 G55 I60 K62 P351G54-L58 PolarHBondContact O-N 3.35Å; G55-L58 PolarHBondContact O-N 3.35Å; L58-I60 VanDerWaalsContact C-N 3.32Å; L58-K62 VanDerWaalsContact O-CB 3.26Å; L58-K62 WeakPolarHBondContact O-CB 3.31Å; L58-K62 WeakPolarHBondContact O-CG 2.98Å; L58-K62 PolarHBondContact O-N 3.04Å; L58-P351 HydrophobicContact CD1-CB 3.51Å
59M52.7Low46.9Very low40 Ų4087 Ų8720%0.19750%0.498CS..Hα-helixtrans-67.1-33.9171.5-73.9175.3167.200111.1G55 L56 G63 M64 L65 M112G55-M59 WeakPolarHBondContact O-CB 3.47Å; G55-M59 WeakPolarHBondContact O-CG 3.43Å; G55-M59 PolarHBondContact O-N 2.88Å; L56-M59 CarbonylContact O-C 3.52Å; L56-M59 PolarHBondContact O-N 3.28Å; M59-G63 PolarHBondContact O-N 3.23Å; M59-G63 VanDerWaalsContact O-N 3.15Å; M59-M64 HydrophobicContact CB-CB 4.14Å; M59-M64 HydrophobicContact CB-SD 4.34Å; M59-M64 HydrophobicContact CG-CE 4.28Å; M59-M64 HydrophobicContact CG-SD 3.99Å; M59-M64 WeakPolarHBondContact O-CA 3.38Å; M59-M64 VanDerWaalsContact O-CB 3.27Å; M59-M64 WeakPolarHBondContact O-CB 3.47Å; M59-M64 PolarHBondContact O-N 3.24Å; M59-L65 HydrophobicContact CB-CG 4.34Å; M59-M112 HydrophobicContact CE-CE 4.5Å
60I53.3Low46.5Very low96 Ų9687.4 Ų87.449%0.49250%0.501SS..Hα-helixtrans-72.8-47173.9-70.3162.5000111L56 L57 L58 K62 G63 L65L56-I60 HydrophobicContact CD2-CD1 4.22Å; L56-I60 HydrophobicContact CG-CD1 3.98Å; L56-I60 WeakPolarHBondContact O-CB 3.37Å; L56-I60 WeakPolarHBondContact O-CD1 3.02Å; L56-I60 WeakPolarHBondContact O-CG1 3.23Å; L56-I60 PolarHBondContact O-N 3.49Å; L57-I60 CarbonylContact O-C 3.37Å; L57-I60 PolarHBondContact O-N 3.46Å; L58-I60 VanDerWaalsContact C-N 3.32Å; I60-K62 PolarHBondContact O-N 2.96Å; I60-G63 WeakPolarHBondContact O-CA 3.32Å; I60-G63 PolarHBondContact O-N 3.07Å; I60-L65 HydrophobicContact CD1-CD1 3.98Å; I60-L65 HydrophobicContact CG1-CD1 3.4Å; I60-L65 VanDerWaalsContact CG1-CD1 3.4Å; I60-L65 HydrophobicContact CG1-CG 4.28Å
61E51.6Low46Very low153 Ų15388 Ų8872%0.71551%0.512SS*.Hα-helixtrans-61.9-32.9178.4-168.8178.3-174.300111.3L57L57-E61 VanDerWaalsContact O-CB 3.24Å; L57-E61 WeakPolarHBondContact O-CB 3.38Å; L57-E61 PolarHBondContact O-N 3.08Å
62K53.4Low45.5Very low126 Ų12687.1 Ų87.155%0.54851%0.511SS..THydrogen-bonded Turntrans-85.2-3.7170.8-69.1-170.5174.1-176.20114.4L58 I60 M64 N117L58-K62 VanDerWaalsContact O-CB 3.26Å; L58-K62 WeakPolarHBondContact O-CB 3.31Å; L58-K62 WeakPolarHBondContact O-CG 2.98Å; L58-K62 PolarHBondContact O-N 3.04Å; I60-K62 PolarHBondContact O-N 2.96Å; K62-M64 HydrophobicContact CB-CG 4.02Å; K62-M64 HydrophobicContact CB-SD 4.1Å; K62-N117 PolarHBondContact O-ND2 2.74Å
63G47.6Very low45Very low38 Ų3891.1 Ų91.139%0.39253%0.534SS..THydrogen-bonded Turntrans77.222.3176.400000116M59 I60 L65M59-G63 PolarHBondContact O-N 3.23Å; M59-G63 VanDerWaalsContact O-N 3.15Å; I60-G63 WeakPolarHBondContact O-CA 3.32Å; I60-G63 PolarHBondContact O-N 3.07Å; G63-L65 PolarHBondContact O-N 3.43Å
64M55.8Low43.9Very low10 Ų1099.5 Ų99.55%0.04956%0.555CS.*THydrogen-bonded Turntrans-83.7-1.2-171.6-59.417561.800115.4M59 K62 M112 Q115 N117 L355M59-M64 HydrophobicContact CB-CB 4.14Å; M59-M64 HydrophobicContact CB-SD 4.34Å; M59-M64 HydrophobicContact CG-CE 4.28Å; M59-M64 HydrophobicContact CG-SD 3.99Å; M59-M64 WeakPolarHBondContact O-CA 3.38Å; M59-M64 VanDerWaalsContact O-CB 3.27Å; M59-M64 WeakPolarHBondContact O-CB 3.47Å; M59-M64 PolarHBondContact O-N 3.24Å; K62-M64 HydrophobicContact CB-CG 4.02Å; K62-M64 HydrophobicContact CB-SD 4.1Å; M64-M112 HydrophobicContact CE-CE 3.45Å; M64-M112 VanDerWaalsContact CE-CE 3.45Å; M64-Q115 VanDerWaalsContact CB-OE1 3.32Å; M64-Q115 PolarHBondContact O-NE2 2.82Å; M64-N117 WeakPolarHBondContact CG-ND2 3.4Å; M64-L355 HydrophobicContact CE-CD2 4.29Å
65L45.3Very low43.1Very low61 Ų61101.6 Ų101.632%0.31958%0.576SS.*THydrogen-bonded Turntrans-110.33.8-172.1-67.9-175.9000116.4L56 M59 I60 G63 S67L56-L65 HydrophobicContact CD1-CD1 3.32Å; L56-L65 HydrophobicContact CD1-CD2 4.15Å; L56-L65 HydrophobicContact CD1-CG 4.34Å; L56-L65 HydrophobicContact CD2-CD1 4.45Å; L56-L65 HydrophobicContact CG-CD1 3.67Å; M59-L65 HydrophobicContact CB-CG 4.34Å; I60-L65 HydrophobicContact CD1-CD1 3.98Å; I60-L65 HydrophobicContact CG1-CD1 3.4Å; I60-L65 VanDerWaalsContact CG1-CD1 3.4Å; I60-L65 HydrophobicContact CG1-CG 4.28Å; G63-L65 PolarHBondContact O-N 3.43Å; L65-S67 PolarHBondContact O-N 3.17Å
66N40.4Very low42.8Very low155 Ų155106.5 Ų106.583%0.82961%0.607SS**THydrogen-bonded Turntrans-73.410.1-171.7-76-9.4000115.9
67S43.9Very low41.9Very low108 Ų108107.9 Ų107.976%0.75563%0.628SS**THydrogen-bonded Turntrans-163.835.9177.652.70000115.9L65 E69L65-S67 PolarHBondContact O-N 3.17Å; S67-E69 PolarHBondContact O-N 3.29Å
68V35.2Very low41.2Very low98 Ų98114.1 Ų114.159%0.59464%0.643SS**  trans-88.492.7171.6-175.70000109.3
69E31.4Very low40.8Very low188 Ų188122.4 Ų122.488%0.87967%0.671SS**PPolyproline II helixtrans-72125.3158.1-78.4-174.8164.900108.8S67S67-E69 PolarHBondContact O-N 3.29Å
70T33.3Very low40Very low122 Ų122128.8 Ų128.875%0.74871%0.705SS**PPolyproline II helixtrans-85.9132.6178.638.30000109.7
71P31.7Very low39Very low124 Ų124132.6 Ų132.681%0.80572%0.721SS**PPolyproline II helixtrans-69143.1170.7-11.526.2000110.6
72S27.3Very low38.3Very low109 Ų109132.1 Ų132.176%0.76272%0.722SS**PPolyproline II helixtrans-60.9140.2-178.3-166.70000112.9R74S72-R74 PolarHBondContact O-N 3.14Å
73P35.8Very low37.8Very low123 Ų123133.9 Ų133.980%0.79974%0.736SS**  trans-82.4112.6-179.131.5-30.2000110.6
74R33.9Very low37.3Very low249 Ų249135.4 Ų135.494%0.9475%0.752SS**  trans-117.5117.1156.3-81.7-173.3178178.20.5109.6S72S72-R74 PolarHBondContact O-N 3.14Å
75G30.7Very low36.5Very low84 Ų84143.5 Ų143.587%0.86679%0.789SS**  trans101.263.6163.100000116.1
76S40.8Very low36.2Very low123 Ų123145 Ų14586%0.8680%0.802SS**  trans-101.7108.7163.4165.90000109.2
77A32.8Very low36.4Very low92 Ų92149.4 Ų149.476%0.7681%0.806SS**SBendtrans174.365.1146.500000111
78R34.5Very low36.4Very low241 Ų241153.6 Ų153.691%0.90981%0.811SS**SBendtrans-172.611.4156.6-115.7174.7-179.8-173.3-0.3116.7
79R45.3Very low36.7Very low230 Ų230158.1 Ų158.187%0.86882%0.819SS**THydrogen-bonded Turntrans-99.811.4-164.7-146.6176.9-165.1158.35.3116.6
80L36.5Very low37.4Very low174 Ų174151.9 Ų151.991%0.91181%0.805SS**THydrogen-bonded Turntrans-112.45.3179.1-113.498.3000115.9
81E32.1Very low38.3Very low176 Ų176150.2 Ų150.282%0.82280%0.804SS**SBendtrans-106.4-5.4172.5-82.2177155.800113.7I83E81-I83 VanDerWaalsContact C-N 3.33Å; E81-I83 PolarHBondContact O-N 3.34Å
82L35.8Very low39.7Very low144 Ų144150.9 Ų150.975%0.75480%0.801SS**THydrogen-bonded Turntrans-87.38.8-175-134.785.9000115.5
83I42.8Very low41.3Very low162 Ų162146.8 Ų146.883%0.83178%0.776SS**THydrogen-bonded Turntrans-110.1-2.4175.2-56177.7000110.7E81E81-I83 VanDerWaalsContact C-N 3.33Å; E81-I83 PolarHBondContact O-N 3.34Å
84G37Very low42.5Very low70 Ų70143.7 Ų143.772%0.72276%0.76SS**SBendtrans-93.2-16179.400000115.8
85E38.9Very low44.5Very low180 Ų180135.1 Ų135.184%0.84173%0.733SS**  trans-142.182.6-178.5-75.9-170.2140.600111.7
86T39.8Very low47.1Very low94 Ų94134.7 Ų134.758%0.57771%0.713SS**  trans-131.762163.123.60000110.6Y89T86-Y89 HydrophobicContact CG2-CD2 3.61Å; T86-Y89 HydrophobicContact CG2-CE2 3.7Å
87R45.6Very low49.2Very low246 Ų246134.1 Ų134.193%0.92870%0.701SS**SBendtrans-89.8104.9150.6-87.3-179.6170.3175.3-2.4107.4
88K44Very low51.8Low197 Ų197130.1 Ų130.186%0.85767%0.667SS**  trans109.474.6171.7-63.1174.9174.7-178.70115.3
89Y41.2Very low54.4Low192 Ų192124 Ų12475%0.75365%0.649SS**  trans-126.8136.1147.4-77-83.1000108.4T86T86-Y89 HydrophobicContact CG2-CD2 3.61Å; T86-Y89 HydrophobicContact CG2-CE2 3.7Å
90G45.5Very low56.6Low58 Ų58116.8 Ų116.860%0.59863%0.627SS**  trans-68.7-176.4-178.500000113.1D92 G93G90-D92 PolarHBondContact O-N 3.26Å; G90-D92 VanDerWaalsContact O-N 3.1Å; G90-G93 PolarHBondContact O-N 2.74Å; G90-G93 VanDerWaalsContact O-N 3.07Å
91A53.4Low59.2Low87 Ų87110.7 Ų110.772%0.71960%0.595SS**Hα-helixtrans-51.5-35.5-175.800000114G93 A94 D95A91-G93 PolarHBondContact O-N 3.41Å; A91-A94 PolarHBondContact O-N 3.44Å; A91-D95 PolarHBondContact O-N 2.95Å
92D59.2Low62Low138 Ų138103.4 Ų103.474%0.73856%0.561SS**Hα-helixtrans-64.8-35.5179.6-72.6-3.4000113.9G90 D95 V96G90-D92 PolarHBondContact O-N 3.26Å; G90-D92 VanDerWaalsContact O-N 3.1Å; D92-D95 PolarHBondContact O-N 2.88Å; D92-V96 WeakPolarHBondContact O-CG2 3.34Å; D92-V96 PolarHBondContact O-N 3.42Å
93G60.8Low64.8Low23 Ų23100.8 Ų100.824%0.23755%0.545CS..Hα-helixtrans-72.1-38.218000000112.6G90 A91 D95 V96 D97G90-G93 PolarHBondContact O-N 2.74Å; G90-G93 VanDerWaalsContact O-N 3.07Å; A91-G93 PolarHBondContact O-N 3.41Å; G93-D95 PolarHBondContact O-N 3.28Å; G93-V96 PolarHBondContact O-N 3.5Å; G93-D97 PolarHBondContact O-N 3.34Å
94A62.7Low67.2Low58 Ų5896.9 Ų96.948%0.47953%0.525SS..Hα-helixtrans-67.3-25.7176.200000112.7A91 S98 R302A91-A94 PolarHBondContact O-N 3.44Å; A94-S98 PolarHBondContact O-N 2.73Å; A94-R302 PolarHBondContact O-NH1 3.15Å
95D75.9Confident69.9Low68 Ų6893.5 Ų93.536%0.36449%0.49SS..Hα-helixtrans-73.2-44.9174.4-166.352.7000111.7A91 D92 G93 D97 S98 Q99A91-D95 PolarHBondContact O-N 2.95Å; D92-D95 PolarHBondContact O-N 2.88Å; G93-D95 PolarHBondContact O-N 3.28Å; D95-D97 PolarHBondContact O-N 3.5Å; D95-S98 WeakPolarHBondContact O-CB 3.34Å; D95-S98 PolarHBondContact O-N 2.75Å; D95-Q99 WeakPolarHBondContact O-CG 3.38Å; D95-Q99 PolarHBondContact O-N 3.32Å; D95-Q99 PolarHBondContact OD2-NE2 2.87Å
96V85.3Confident72.5Confident75 Ų7587.9 Ų87.946%0.45547%0.466SS..Hα-helixtrans-60.6-47.4177.4175.60000111.9D92 G93 S98 Q99 I100D92-V96 WeakPolarHBondContact O-CG2 3.34Å; D92-V96 PolarHBondContact O-N 3.42Å; G93-V96 PolarHBondContact O-N 3.5Å; V96-S98 PolarHBondContact O-N 3.34Å; V96-Q99 PolarHBondContact O-N 3.23Å; V96-Q99 VanDerWaalsContact O-N 3.15Å; V96-I100 HydrophobicContact CG1-CD1 3.8Å; V96-I100 HydrophobicContact CG1-CG1 4.43Å; V96-I100 WeakPolarHBondContact O-CG1 3.45Å; V96-I100 PolarHBondContact O-N 2.04Å
97D85.3Confident75.1Confident112 Ų11290.5 Ų90.560%0.59947%0.465SS*.Hα-helixtrans-60.3-36.8-179.3-76.4-21.1000112.3G93 D95 L101G93-D97 PolarHBondContact O-N 3.34Å; D95-D97 PolarHBondContact O-N 3.5Å; D97-L101 WeakPolarHBondContact O-CB 3.13Å; D97-L101 PolarHBondContact O-N 3.42Å
98S85.4Confident77.5Confident7 Ų780.8 Ų80.85%0.04943%0.433CS..Hα-helixtrans-67.9-45.4174.6172.40000113.4A94 D95 V96 I100 L101 Q102 Q299 R302A94-S98 PolarHBondContact O-N 2.73Å; D95-S98 WeakPolarHBondContact O-CB 3.34Å; D95-S98 PolarHBondContact O-N 2.75Å; V96-S98 PolarHBondContact O-N 3.34Å; S98-I100 PolarHBondContact O-N 2.83Å; S98-L101 PolarHBondContact O-N 3.48Å; S98-L101 VanDerWaalsContact O-N 3.14Å; S98-Q102 WeakPolarHBondContact O-CB 3.19Å; S98-Q102 WeakPolarHBondContact O-CG 2.87Å; S98-Q102 PolarHBondContact O-N 2.91Å; S98-Q299 PolarHBondContact OG-OE1 3.34Å; S98-R302 PolarHBondContact OG-NH1 3.11Å; S98-R302 PolarHBondContact OG-NH2 3.3Å
99Q89.2Confident79.8Confident112 Ų11272.3 Ų72.352%0.52340%0.397SS..Hα-helixtrans-58.7-42.5178.4-69.3179.323.600110D95 V96 Q102 E103D95-Q99 WeakPolarHBondContact O-CG 3.38Å; D95-Q99 PolarHBondContact O-N 3.32Å; D95-Q99 PolarHBondContact OD2-NE2 2.87Å; V96-Q99 PolarHBondContact O-N 3.23Å; V96-Q99 VanDerWaalsContact O-N 3.15Å; Q99-Q102 PolarHBondContact O-N 3.24Å; Q99-E103 WeakPolarHBondContact O-CB 3.44Å; Q99-E103 PolarHBondContact O-N 2.76Å
100I91.8Very high82.4Confident80 Ų8072.2 Ų72.241%0.4140%0.395SS..Hα-helixtrans-60.2-48.1173.7-67.1168.6000110.9V96 S98 Q102 E103 I104V96-I100 HydrophobicContact CG1-CD1 3.8Å; V96-I100 HydrophobicContact CG1-CG1 4.43Å; V96-I100 WeakPolarHBondContact O-CG1 3.45Å; V96-I100 PolarHBondContact O-N 2.04Å; S98-I100 PolarHBondContact O-N 2.83Å; I100-Q102 VanDerWaalsContact C-N 3.34Å; I100-Q102 PolarHBondContact O-N 3.47Å; I100-E103 PolarHBondContact O-N 3.12Å; I100-I104 HydrophobicContact CG2-CD1 3.73Å; I100-I104 HydrophobicContact CG2-CG1 4.35Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.03Å; I100-I104 PolarHBondContact O-N 3.05Å
101L91.2Very high84.7Confident45 Ų4573.8 Ų73.824%0.23639%0.394CS..Hα-helixtrans-60.4-43.5178.9-178.265.4000112D97 S98 E103 I104 R105 A361D97-L101 WeakPolarHBondContact O-CB 3.13Å; D97-L101 PolarHBondContact O-N 3.42Å; S98-L101 PolarHBondContact O-N 3.48Å; S98-L101 VanDerWaalsContact O-N 3.14Å; L101-E103 VanDerWaalsContact C-N 3.35Å; L101-I104 PolarHBondContact O-N 3.23Å; L101-R105 WeakPolarHBondContact O-CB 3.47Å; L101-R105 PolarHBondContact O-N 3.43Å; L101-A361 HydrophobicContact CD1-CB 3.95Å
102Q92.4Very high86.6Confident23 Ų2370.6 Ų70.611%0.10736%0.364CS..Hα-helixtrans-62.9-41.5176.5-72.9-65.3-12.100111.4S98 Q99 I100 R105 N106 I294S98-Q102 WeakPolarHBondContact O-CB 3.19Å; S98-Q102 WeakPolarHBondContact O-CG 2.87Å; S98-Q102 PolarHBondContact O-N 2.91Å; Q99-Q102 PolarHBondContact O-N 3.24Å; I100-Q102 VanDerWaalsContact C-N 3.34Å; I100-Q102 PolarHBondContact O-N 3.47Å; Q102-R105 PolarHBondContact O-N 3.35Å; Q102-N106 VanDerWaalsContact O-CB 3.28Å; Q102-N106 WeakPolarHBondContact O-CB 3.24Å; Q102-N106 PolarHBondContact O-N 2.98Å; Q102-N106 PolarHBondContact O-ND2 2.86Å; Q102-N106 VanDerWaalsContact O-ND2 3.14Å; Q102-I294 PolarHBondContact NE2-O 3.03Å; Q102-I294 PolarHBondContact OE1-O 3.28Å
103E93.4Very high88.2Confident90 Ų9064.8 Ų64.842%0.42133%0.334SS..Hα-helixtrans-64.1-46.2176.5-173.4177.5-164.700112Q99 I100 L101 N106 R107Q99-E103 WeakPolarHBondContact O-CB 3.44Å; Q99-E103 PolarHBondContact O-N 2.76Å; I100-E103 PolarHBondContact O-N 3.12Å; L101-E103 VanDerWaalsContact C-N 3.35Å; E103-N106 PolarHBondContact O-N 2.99Å; E103-R107 WeakPolarHBondContact O-CB 3.32Å; E103-R107 WeakPolarHBondContact O-CG 3.22Å; E103-R107 PolarHBondContact O-N 3.4Å; E103-R107 IonicContact OE1-CZ 4Å; E103-R107 IonicContact OE1-NE 3.44Å; E103-R107 IonicContact OE1-NH1 2.6Å; E103-R107 PolarHBondContact OE1-NH1 2.84Å; E103-R107 IonicContact OE1-NH2 2.98Å; E103-R107 PolarHBondContact OE1-NH2 3.39Å
104I93.6Very high89.8Confident79 Ų7967.8 Ų67.841%0.40535%0.351SS..Hα-helixtrans-57.5-52175.6-69.5168000109.7I100 L101 N106 R107 T108 A361I100-I104 HydrophobicContact CG2-CD1 3.73Å; I100-I104 HydrophobicContact CG2-CG1 4.35Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.03Å; I100-I104 PolarHBondContact O-N 3.05Å; L101-I104 PolarHBondContact O-N 3.23Å; I104-N106 PolarHBondContact O-N 3.02Å; I104-R107 PolarHBondContact O-N 3.11Å; I104-T108 WeakPolarHBondContact O-CB 3.4Å; I104-T108 PolarHBondContact O-N 3.47Å; I104-T108 PolarHBondContact O-OG1 2.6Å; I104-A361 HydrophobicContact CG2-CB 3.88Å
105R93.8Very high91.2Very high0 Ų066.7 Ų66.70%034%0.336CS..Hα-helixtrans-57.6-47.9179.9-176.3177.8-65.2150.7-0.6111.6L101 Q102 R107 T108 I109 I294 S296 F360L101-R105 WeakPolarHBondContact O-CB 3.47Å; L101-R105 PolarHBondContact O-N 3.43Å; Q102-R105 PolarHBondContact O-N 3.35Å; R105-R107 PolarHBondContact O-N 3.42Å; R105-T108 PolarHBondContact O-N 2.88Å; R105-I109 HydrophobicContact CG-CD1 3.82Å; R105-I109 WeakPolarHBondContact O-CB 3.21Å; R105-I109 WeakPolarHBondContact O-CG1 3.29Å; R105-I109 PolarHBondContact O-N 3.31Å; R105-I294 PolarHBondContact NH1-O 3.34Å; R105-S296 PolarHBondContact NH1-OG 2.85Å; R105-S296 PolarHBondContact NH2-OG 2.69Å; R105-F360 PolarHBondContact NE-O 2.9Å; R105-F360 VanDerWaalsContact NE-O 3.15Å; R105-F360 PolarHBondContact NH2-O 2.95Å; R105-F360 VanDerWaalsContact NH2-O 3.13Å
106N93.4Very high91.8Very high61 Ų6173.3 Ų73.333%0.32636%0.362SS..Hα-helixtrans-62.4-42.2179.5-75.7-28.5000112.2Q102 E103 I104 R110Q102-N106 VanDerWaalsContact O-CB 3.28Å; Q102-N106 WeakPolarHBondContact O-CB 3.24Å; Q102-N106 PolarHBondContact O-N 2.98Å; Q102-N106 PolarHBondContact O-ND2 2.86Å; Q102-N106 VanDerWaalsContact O-ND2 3.14Å; E103-N106 PolarHBondContact O-N 2.99Å; I104-N106 PolarHBondContact O-N 3.02Å; N106-R110 WeakPolarHBondContact O-CB 3.3Å; N106-R110 WeakPolarHBondContact O-CG 3.27Å; N106-R110 PolarHBondContact O-N 3.49Å
107R94.9Very high92Very high150 Ų15073.1 Ų73.157%0.56636%0.358SS*.Hα-helixtrans-64.8-45.6176.1-76178.1174165.21.7111.7E103 I104 R105 R110 T111E103-R107 WeakPolarHBondContact O-CB 3.32Å; E103-R107 WeakPolarHBondContact O-CG 3.22Å; E103-R107 PolarHBondContact O-N 3.4Å; E103-R107 IonicContact OE1-CZ 4Å; E103-R107 IonicContact OE1-NE 3.44Å; E103-R107 IonicContact OE1-NH1 2.6Å; E103-R107 PolarHBondContact OE1-NH1 2.84Å; E103-R107 IonicContact OE1-NH2 2.98Å; E103-R107 PolarHBondContact OE1-NH2 3.39Å; I104-R107 PolarHBondContact O-N 3.11Å; R105-R107 PolarHBondContact O-N 3.42Å; R107-R110 PolarHBondContact O-N 3.31Å; R107-T111 WeakPolarHBondContact O-CB 3.24Å; R107-T111 PolarHBondContact O-N 3.37Å; R107-T111 PolarHBondContact O-OG1 2.88Å
108T94.3Very high92.3Very high41 Ų4168.5 Ų68.525%0.25233%0.333SS..Hα-helixtrans-62.7-48.6179.4-59.20000111.4I104 R105 R110 T111 M112 S358I104-T108 WeakPolarHBondContact O-CB 3.4Å; I104-T108 PolarHBondContact O-N 3.47Å; I104-T108 PolarHBondContact O-OG1 2.6Å; R105-T108 PolarHBondContact O-N 2.88Å; T108-R110 PolarHBondContact O-N 3.5Å; T108-T111 PolarHBondContact O-N 2.67Å; T108-M112 HydrophobicContact CG2-CG 4.24Å; T108-M112 HydrophobicContact CG2-SD 3.68Å; T108-M112 WeakPolarHBondContact O-CB 3.45Å; T108-M112 WeakPolarHBondContact O-CG 3.48Å; T108-M112 PolarHBondContact O-N 3.43Å; T108-S358 WeakPolarHBondContact CG2-O 3.07Å
109I94.1Very high92.8Very high19 Ų1969.1 Ų69.110%0.09734%0.337CS..Hα-helixtrans-60.4-48.3177.9-70.7173.4000110.7R105 T111 M112 C113 I294 L359 F360R105-I109 HydrophobicContact CG-CD1 3.82Å; R105-I109 WeakPolarHBondContact O-CB 3.21Å; R105-I109 WeakPolarHBondContact O-CG1 3.29Å; R105-I109 PolarHBondContact O-N 3.31Å; I109-T111 VanDerWaalsContact C-N 3.31Å; I109-T111 PolarHBondContact O-N 3.02Å; I109-M112 PolarHBondContact O-N 3.44Å; I109-C113 WeakPolarHBondContact O-CB 3.26Å; I109-C113 PolarHBondContact O-N 3.18Å; I109-C113 PolarHBondContact O-SG 2.92Å; I109-I294 HydrophobicContact CD1-CD1 3.27Å; I109-L359 HydrophobicContact CG1-CB 4.19Å; I109-L359 HydrophobicContact CG1-CD2 4.06Å; I109-L359 WeakPolarHBondContact CG1-O 3.11Å; I109-F360 HydrophobicContact CD1-CD1 4.31Å; I109-F360 HydrophobicContact CD1-CE1 4.26Å
110R94Very high93Very high190 Ų19069.2 Ų69.272%0.71734%0.337SS*.Hα-helixtrans-57.5-45.5177.6-75.8175.5-172.9-172.63.9111.8N106 R107 T108 S114N106-R110 WeakPolarHBondContact O-CB 3.3Å; N106-R110 WeakPolarHBondContact O-CG 3.27Å; N106-R110 PolarHBondContact O-N 3.49Å; R107-R110 PolarHBondContact O-N 3.31Å; T108-R110 PolarHBondContact O-N 3.5Å; R110-S114 WeakPolarHBondContact O-CB 3.28Å; R110-S114 PolarHBondContact O-N 3.22Å; R110-S114 VanDerWaalsContact O-N 3.13Å
111T94.4Very high93.2Very high92 Ų9267.5 Ų67.556%0.56433%0.332SS*.Hα-helixtrans-64.8-53.4-178.5-55.50000110.8R107 T108 I109 C113 S114R107-T111 WeakPolarHBondContact O-CB 3.24Å; R107-T111 PolarHBondContact O-N 3.37Å; R107-T111 PolarHBondContact O-OG1 2.88Å; T108-T111 PolarHBondContact O-N 2.67Å; I109-T111 VanDerWaalsContact C-N 3.31Å; I109-T111 PolarHBondContact O-N 3.02Å; T111-C113 PolarHBondContact O-N 3.25Å; T111-S114 PolarHBondContact O-N 3.5Å; T111-S114 PolarHBondContact O-OG 3.39Å
112M92.8Very high93.5Very high20 Ų2065.4 Ų65.410%0.09932%0.321CS..Hα-helixtrans-64.6-43.6-178.4-67.5-177.773.900111.9M59 M64 T108 I109 S114 Q115 M118 L355 L359M59-M112 HydrophobicContact CE-CE 4.5Å; M64-M112 HydrophobicContact CE-CE 3.45Å; M64-M112 VanDerWaalsContact CE-CE 3.45Å; T108-M112 HydrophobicContact CG2-CG 4.24Å; T108-M112 HydrophobicContact CG2-SD 3.68Å; T108-M112 WeakPolarHBondContact O-CB 3.45Å; T108-M112 WeakPolarHBondContact O-CG 3.48Å; T108-M112 PolarHBondContact O-N 3.43Å; I109-M112 PolarHBondContact O-N 3.44Å; M112-S114 PolarHBondContact O-N 3.2Å; M112-Q115 WeakPolarHBondContact O-CB 3.39Å; M112-Q115 VanDerWaalsContact O-CG 3.3Å; M112-Q115 WeakPolarHBondContact O-CG 3.3Å; M112-Q115 PolarHBondContact O-N 3.34Å; M112-M118 WeakPolarHBondContact O-CG 3.44Å; M112-L355 HydrophobicContact CE-CD2 3.94Å; M112-L359 HydrophobicContact CB-CD2 3.78Å; M112-L359 HydrophobicContact CE-CD2 4.1Å; M112-L359 HydrophobicContact CE-CG 4.31Å; M112-L359 HydrophobicContact CG-CD2 4.19Å; M112-L359 HydrophobicContact SD-CD2 3.48Å; M112-L359 WeakPolarHBondContact SD-CD2 3.32Å; M112-L359 HydrophobicContact SD-CG 4.03Å
113C94.3Very high93.7Very high16 Ų1668 Ų6811%0.10833%0.33CS..Hα-helixtrans-75.3-9.3-178.4-60.50000114.2I109 T111 Q115 H120 C287I109-C113 WeakPolarHBondContact O-CB 3.26Å; I109-C113 PolarHBondContact O-N 3.18Å; I109-C113 PolarHBondContact O-SG 2.92Å; T111-C113 PolarHBondContact O-N 3.25Å; C113-Q115 VanDerWaalsContact C-N 3.3Å; C113-H120 PolarHBondContact O-CE1 2.87Å; C113-H120 PolarHBondContact O-ND1 3.49Å; C113-C287 WeakPolarHBondContact CA-SG 3.06Å; C113-C287 HydrophobicContact CB-CB 3.51Å; C113-C287 WeakPolarHBondContact CB-SG 3.44Å; C113-C287 WeakPolarHBondContact SG-CA 3.34Å; C113-C287 WeakPolarHBondContact SG-CB 3.26Å; C113-C287 CovalentContact SG-SG 2.04Å; C113-C287 PolarHBondContact SG-SG 3.41Å
114S93.7Very high93.9Very high86 Ų8667.2 Ų67.260%0.60133%0.334SS*.THydrogen-bonded Turntrans-79.2-13.5172.573.40000113.4R110 T111 M112R110-S114 WeakPolarHBondContact O-CB 3.28Å; R110-S114 PolarHBondContact O-N 3.22Å; R110-S114 VanDerWaalsContact O-N 3.13Å; T111-S114 PolarHBondContact O-N 3.5Å; T111-S114 PolarHBondContact O-OG 3.39Å; M112-S114 PolarHBondContact O-N 3.2Å
115Q92.1Very high94.1Very high35 Ų3563.7 Ų63.716%0.16432%0.316CS..SBendtrans-67.3139.9179.7-58.9-175.6-17.900111M64 M112 C113 N117 M118 H120M64-Q115 VanDerWaalsContact CB-OE1 3.32Å; M64-Q115 PolarHBondContact O-NE2 2.82Å; M112-Q115 WeakPolarHBondContact O-CB 3.39Å; M112-Q115 VanDerWaalsContact O-CG 3.3Å; M112-Q115 WeakPolarHBondContact O-CG 3.3Å; M112-Q115 PolarHBondContact O-N 3.34Å; C113-Q115 VanDerWaalsContact C-N 3.3Å; Q115-N117 WeakPolarHBondContact CB-OD1 3.39Å; Q115-N117 PolarHBondContact O-N 2.95Å; Q115-N117 VanDerWaalsContact O-N 3.15Å; Q115-M118 HydrophobicContact CB-CG 4.15Å; Q115-M118 WeakPolarHBondContact O-CB 3.48Å; Q115-M118 PolarHBondContact O-N 3.31Å; Q115-H120 PolarHBondContact O-CE1 3.22Å
116K88.9Confident94.2Very high207 Ų20765.6 Ų65.690%0.933%0.33SS*.THydrogen-bonded Turntrans-61-26.1-172.8-68.3-174.6177.6-1790114.9M118K116-M118 VanDerWaalsContact C-N 3.32Å
117N88.8Confident94.4Very high70 Ų7068 Ų6837%0.37435%0.349SS..THydrogen-bonded Turntrans-81.4-9.8178.959.3-24.8000113K62 M64 Q115K62-N117 PolarHBondContact O-ND2 2.74Å; M64-N117 WeakPolarHBondContact CG-ND2 3.4Å; Q115-N117 WeakPolarHBondContact CB-OD1 3.39Å; Q115-N117 PolarHBondContact O-N 2.95Å; Q115-N117 VanDerWaalsContact O-N 3.15Å
118M92.8Very high94.5Very high16 Ų1664 Ų648%0.07934%0.338CS..SBendtrans-88.6146179.5-64.4-59-72.900111.1M112 Q115 K116 H120 Y281 C287M112-M118 WeakPolarHBondContact O-CG 3.44Å; Q115-M118 HydrophobicContact CB-CG 4.15Å; Q115-M118 WeakPolarHBondContact O-CB 3.48Å; Q115-M118 PolarHBondContact O-N 3.31Å; K116-M118 VanDerWaalsContact C-N 3.32Å; M118-H120 PolarHBondContact O-N 2.94Å; M118-H120 PolarHBondContact O-NE2 3.45Å; M118-Y281 HydrophobicContact CE-CE2 3.83Å; M118-Y281 VanDerWaalsContact CE-OH 3.28Å; M118-Y281 WeakPolarHBondContact CE-OH 3.22Å; M118-C287 HydrophobicContact CB-CB 4.35Å; M118-C287 HydrophobicContact CE-CB 4.24Å; M118-C287 WeakPolarHBondContact CE-SG 3.41Å
119P94.4Very high94.7Very high20 Ų2064.1 Ų64.113%0.1334%0.336CS..  trans-68.9133.2176.929.2-34.2000109.9S124 L125 C287 A288P119-S124 WeakPolarHBondContact CA-OG 3.47Å; P119-S124 WeakPolarHBondContact CB-OG 3.36Å; P119-L125 HydrophobicContact CB-CD2 3.55Å; P119-L125 HydrophobicContact CB-CG 4.34Å; P119-L125 HydrophobicContact CG-CD2 3.67Å; P119-C287 HydrophobicContact CG-CB 4.29Å; P119-C287 CarbonylContact O-C 3.55Å; P119-C287 VanDerWaalsContact O-CB 3.26Å; P119-C287 WeakPolarHBondContact O-CB 3.49Å; P119-A288 HydrophobicContact CB-CB 4.11Å; P119-A288 HydrophobicContact CG-CB 4.24Å; P119-A288 PolarHBondContact O-N 3.27Å
120H93.9Very high94.9Very high113 Ų11366.3 Ų66.352%0.52334%0.343SS..  trans-105.6-2.5178.8-57.3-59.9000113C113 Q115 M118 S124C113-H120 PolarHBondContact O-CE1 2.87Å; C113-H120 PolarHBondContact O-ND1 3.49Å; Q115-H120 PolarHBondContact O-CE1 3.22Å; M118-H120 PolarHBondContact O-N 2.94Å; M118-H120 PolarHBondContact O-NE2 3.45Å; H120-S124 PolarHBondContact N-OG 3.37Å
121S96.5Very high95.1Very high44 Ų4463.1 Ų63.131%0.30833%0.334SS..SBendtrans-154.7153.3176.7-1760000110.8W123 S124S121-W123 PolarHBondContact O-N 3.43Å; S121-W123 PolarHBondContact OG-N 3.49Å; S121-S124 PolarHBondContact N-OG 2.87Å; S121-S124 PolarHBondContact O-N 3.27Å; S121-S124 PolarHBondContact O-OG 2.92Å
122V97.6Very high95.3Very high1 Ų159.6 Ų59.61%0.00631%0.313CS..G310 helixtrans-56.8-23.5170.5-60.30000112.6L125 R130 V133 L199 A288 V289V122-L125 HydrophobicContact CB-CD1 4.46Å; V122-L125 WeakPolarHBondContact O-CB 3.43Å; V122-R130 WeakPolarHBondContact O-CG 3.48Å; V122-R130 PolarHBondContact O-NE 2.95Å; V122-V133 HydrophobicContact CG1-CG1 4.32Å; V122-L199 HydrophobicContact CG1-CD1 4.04Å; V122-L199 HydrophobicContact CG2-CD1 3.65Å; V122-A288 PolarHBondContact N-O 3.12Å; V122-V289 HydrophobicContact CG1-CG2 3.59Å
123W97.1Very high95.5Very high79 Ų7958.6 Ų58.630%0.29931%0.308SS..G310 helixtrans-81.3-14.3177.2-51.5112.8000113.9S121 R130 P192 I195 R196S121-W123 PolarHBondContact O-N 3.43Å; S121-W123 PolarHBondContact OG-N 3.49Å; W123-R130 PolarHBondContact O-NH2 3.32Å; W123-P192 HydrophobicContact CH2-CB 3.69Å; W123-P192 HydrophobicContact CH2-CG 4.3Å; W123-P192 HydrophobicContact CZ2-CB 4.12Å; W123-P192 HydrophobicContact CZ3-CB 4.48Å; W123-I195 HydrophobicContact CH2-CD1 4.46Å; W123-I195 HydrophobicContact CZ2-CB 4.41Å; W123-I195 HydrophobicContact CZ2-CG2 4.15Å; W123-R196 HydrophobicContact CZ2-CG 4.24Å
124S96.3Very high95.7Very high72 Ų7258.6 Ų58.650%0.50331%0.306SS..G310 helixtrans-88.1-9.1171.569.10000112.8P119 H120 S121P119-S124 WeakPolarHBondContact CA-OG 3.47Å; P119-S124 WeakPolarHBondContact CB-OG 3.36Å; H120-S124 PolarHBondContact N-OG 3.37Å; S121-S124 PolarHBondContact N-OG 2.87Å; S121-S124 PolarHBondContact O-N 3.27Å; S121-S124 PolarHBondContact O-OG 2.92Å
125L97.3Very high95.9Very high5 Ų558.3 Ų58.33%0.02630%0.296CS..SBendtrans-73.3153.2175.6-63.5175.1000111.7P119 V122 Q129 R130 V133 Q285 A288P119-L125 HydrophobicContact CB-CD2 3.55Å; P119-L125 HydrophobicContact CB-CG 4.34Å; P119-L125 HydrophobicContact CG-CD2 3.67Å; V122-L125 HydrophobicContact CB-CD1 4.46Å; V122-L125 WeakPolarHBondContact O-CB 3.43Å; L125-Q129 HydrophobicContact CB-CB 3.91Å; L125-Q129 HydrophobicContact CD1-CB 4.43Å; L125-Q129 HydrophobicContact CD2-CB 4.25Å; L125-Q129 HydrophobicContact CG-CB 4.44Å; L125-R130 HydrophobicContact CB-CB 4.16Å; L125-R130 PolarHBondContact O-NH2 2.97Å; L125-V133 HydrophobicContact CD1-CG1 3.74Å; L125-Q285 HydrophobicContact CD1-CB 4.2Å; L125-Q285 HydrophobicContact CD1-CG 3.88Å; L125-Q285 HydrophobicContact CD2-CG 4.22Å; L125-A288 HydrophobicContact CD1-CB 3.91Å; L125-A288 HydrophobicContact CD2-CB 4.09Å; L125-A288 HydrophobicContact CG-CB 4.02Å
126S97.3Very high96.2Very high41 Ų4157.1 Ų57.129%0.28729%0.29SS..  trans-58.6157.4168.784.20000110.8L128 Q129 R130S126-L128 PolarHBondContact O-N 3.13Å; S126-Q129 PolarHBondContact O-N 3.34Å; S126-Q129 VanDerWaalsContact OG-CG 3.3Å; S126-Q129 WeakPolarHBondContact OG-CG 3.18Å; S126-Q129 PolarHBondContact OG-N 3Å; S126-R130 VanDerWaalsContact O-CB 3.32Å; S126-R130 WeakPolarHBondContact O-CB 3.34Å; S126-R130 PolarHBondContact O-N 3.47Å
127P97.5Very high96.7Very high111 Ų11147.3 Ų47.372%0.72125%0.248SC*.Hα-helixtrans-55.1-37.9178.1-27.635.7000113.4K131P127-K131 VanDerWaalsContact O-CB 3.29Å; P127-K131 WeakPolarHBondContact O-CB 3.49Å; P127-K131 PolarHBondContact O-N 3.17Å
128L97.1Very high97.2Very high66 Ų6644 Ų4435%0.34623%0.23SC..Hα-helixtrans-68.6-50.8178.3-178.558.9000111.4S126 R130 K131 T132 E271 R272S126-L128 PolarHBondContact O-N 3.13Å; L128-R130 VanDerWaalsContact C-N 3.34Å; L128-R130 PolarHBondContact O-N 2.86Å; L128-K131 PolarHBondContact O-N 3.3Å; L128-T132 PolarHBondContact O-N 2.7Å; L128-T132 PolarHBondContact O-OG1 3.32Å; L128-T132 VanDerWaalsContact O-OG1 3.12Å; L128-E271 HydrophobicContact CD2-CB 3.79Å; L128-R272 HydrophobicContact CD2-CG 4.23Å
129Q97.9Very high97.5Very high44 Ų4443.6 Ų43.621%0.20623%0.228CC..Hα-helixtrans-58.9-44.5177.3-70.8169.7-17.600111.8L125 S126 T132 V133 E271L125-Q129 HydrophobicContact CB-CB 3.91Å; L125-Q129 HydrophobicContact CD1-CB 4.43Å; L125-Q129 HydrophobicContact CD2-CB 4.25Å; L125-Q129 HydrophobicContact CG-CB 4.44Å; S126-Q129 PolarHBondContact O-N 3.34Å; S126-Q129 VanDerWaalsContact OG-CG 3.3Å; S126-Q129 WeakPolarHBondContact OG-CG 3.18Å; S126-Q129 PolarHBondContact OG-N 3Å; Q129-T132 PolarHBondContact O-N 3.02Å; Q129-V133 WeakPolarHBondContact O-CG1 3.3Å; Q129-V133 PolarHBondContact O-N 3.48Å; Q129-E271 WeakPolarHBondContact CG-OE1 3.44Å; Q129-E271 PolarHBondContact NE2-OE1 3.34Å
130R98.3Very high97.6Very high65 Ų6542.9 Ų42.925%0.24522%0.223CC..Hα-helixtrans-61.1-45.8177-172.2-177.5-53.1161.612.2111.3V122 W123 L125 S126 L128 T132 V133 L134V122-R130 WeakPolarHBondContact O-CG 3.48Å; V122-R130 PolarHBondContact O-NE 2.95Å; W123-R130 PolarHBondContact O-NH2 3.32Å; L125-R130 HydrophobicContact CB-CB 4.16Å; L125-R130 PolarHBondContact O-NH2 2.97Å; S126-R130 VanDerWaalsContact O-CB 3.32Å; S126-R130 WeakPolarHBondContact O-CB 3.34Å; S126-R130 PolarHBondContact O-N 3.47Å; L128-R130 VanDerWaalsContact C-N 3.34Å; L128-R130 PolarHBondContact O-N 2.86Å; R130-T132 VanDerWaalsContact C-N 3.34Å; R130-T132 PolarHBondContact O-N 3.13Å; R130-V133 VanDerWaalsContact O-CG1 3.29Å; R130-V133 WeakPolarHBondContact O-CG1 3.37Å; R130-V133 PolarHBondContact O-N 3.49Å; R130-L134 HydrophobicContact CG-CD1 3.81Å; R130-L134 HydrophobicContact CG-CG 4.27Å; R130-L134 WeakPolarHBondContact O-CB 3.48Å; R130-L134 VanDerWaalsContact O-CG 3.22Å; R130-L134 WeakPolarHBondContact O-CG 3.37Å; R130-L134 PolarHBondContact O-N 3.34Å
131K98Very high97.8Very high123 Ų12340.4 Ų40.454%0.53521%0.214SC..Hα-helixtrans-59-48176.4-178.9-179.6177.7-178.90110.7P127 L128 L134 Q135P127-K131 VanDerWaalsContact O-CB 3.29Å; P127-K131 WeakPolarHBondContact O-CB 3.49Å; P127-K131 PolarHBondContact O-N 3.17Å; L128-K131 PolarHBondContact O-N 3.3Å; K131-L134 PolarHBondContact O-N 3.14Å; K131-Q135 HydrophobicContact CG-CG 4.49Å; K131-Q135 WeakPolarHBondContact O-CB 3.35Å; K131-Q135 VanDerWaalsContact O-CG 3.24Å; K131-Q135 WeakPolarHBondContact O-CG 3.44Å; K131-Q135 PolarHBondContact O-N 2.72Å
132T98.4Very high97.8Very high17 Ų1744.8 Ų44.810%0.10423%0.229CC..Hα-helixtrans-57.4-52179.1-62.20000111.7L128 Q129 R130 L134 Q135 H136 M278 L283L128-T132 PolarHBondContact O-N 2.7Å; L128-T132 PolarHBondContact O-OG1 3.32Å; L128-T132 VanDerWaalsContact O-OG1 3.12Å; Q129-T132 PolarHBondContact O-N 3.02Å; R130-T132 VanDerWaalsContact C-N 3.34Å; R130-T132 PolarHBondContact O-N 3.13Å; T132-L134 PolarHBondContact O-N 2.99Å; T132-Q135 PolarHBondContact O-N 3.3Å; T132-H136 PolarHBondContact O-N 3.14Å; T132-H136 PolarHBondContact O-ND1 3.47Å; T132-M278 HydrophobicContact CG2-CE 4.42Å; T132-M278 HydrophobicContact CG2-SD 3.79Å; T132-L283 HydrophobicContact CG2-CD2 4.39Å
133V98.4Very high97.8Very high0 Ų047 Ų470%024%0.238CC..Hα-helixtrans-65-42.9-177.767.60000112.4V122 L125 Q129 R130 Q135 H136 I137 L283 Q285 V289V122-V133 HydrophobicContact CG1-CG1 4.32Å; L125-V133 HydrophobicContact CD1-CG1 3.74Å; Q129-V133 WeakPolarHBondContact O-CG1 3.3Å; Q129-V133 PolarHBondContact O-N 3.48Å; R130-V133 VanDerWaalsContact O-CG1 3.29Å; R130-V133 WeakPolarHBondContact O-CG1 3.37Å; R130-V133 PolarHBondContact O-N 3.49Å; V133-Q135 VanDerWaalsContact C-N 3.26Å; V133-Q135 PolarHBondContact O-N 3.29Å; V133-H136 PolarHBondContact O-N 3.37Å; V133-I137 HydrophobicContact CG2-CD1 3.79Å; V133-I137 HydrophobicContact CG2-CG1 4.39Å; V133-I137 WeakPolarHBondContact O-CG1 3.39Å; V133-I137 PolarHBondContact O-N 3.16Å; V133-L283 WeakPolarHBondContact CA-O 3.45Å; V133-Q285 HydrophobicContact CB-CG 4.18Å; V133-Q285 HydrophobicContact CG2-CB 4.22Å; V133-Q285 HydrophobicContact CG2-CG 4.39Å; V133-V289 HydrophobicContact CG2-CG2 4.06Å
134L98.5Very high97.9Very high15 Ų1549.1 Ų49.18%0.07925%0.246CC..Hα-helixtrans-67.8-28.6-179.2-64.4178.8000112.4R130 K131 T132 H136 L187 S188 I195R130-L134 HydrophobicContact CG-CD1 3.81Å; R130-L134 HydrophobicContact CG-CG 4.27Å; R130-L134 WeakPolarHBondContact O-CB 3.48Å; R130-L134 VanDerWaalsContact O-CG 3.22Å; R130-L134 WeakPolarHBondContact O-CG 3.37Å; R130-L134 PolarHBondContact O-N 3.34Å; K131-L134 PolarHBondContact O-N 3.14Å; T132-L134 PolarHBondContact O-N 2.99Å; L134-H136 VanDerWaalsContact C-N 3.29Å; L134-L187 HydrophobicContact CB-CB 4.33Å; L134-L187 HydrophobicContact CD2-CB 3.87Å; L134-L187 HydrophobicContact CD2-CD1 4.03Å; L134-S188 PolarHBondContact O-N 3.47Å; L134-I195 HydrophobicContact CD1-CD1 4.07Å; L134-I195 HydrophobicContact CD2-CD1 4.46Å; L134-I195 HydrophobicContact CD2-CG2 3.98Å
135Q97.9Very high98Very high81 Ų8145.7 Ų45.738%0.37922%0.222SC..Hα-helixtrans-74.4-19173-74-179.8-3000113.1K131 T132 V133 F186K131-Q135 HydrophobicContact CG-CG 4.49Å; K131-Q135 WeakPolarHBondContact O-CB 3.35Å; K131-Q135 VanDerWaalsContact O-CG 3.24Å; K131-Q135 WeakPolarHBondContact O-CG 3.44Å; K131-Q135 PolarHBondContact O-N 2.72Å; T132-Q135 PolarHBondContact O-N 3.3Å; V133-Q135 VanDerWaalsContact C-N 3.26Å; V133-Q135 PolarHBondContact O-N 3.29Å; Q135-F186 WeakPolarHBondContact O-CD1 3.35Å; Q135-F186 WeakPolarHBondContact O-CE1 3.22Å
136H98.3Very high98.1Very high10 Ų1045.5 Ų45.55%0.04622%0.221CC..Hα-helixtrans-96.9-10.9179.2-75.179000113.9T132 V133 L134 C148 Y149 E275 L283T132-H136 PolarHBondContact O-N 3.14Å; T132-H136 PolarHBondContact O-ND1 3.47Å; V133-H136 PolarHBondContact O-N 3.37Å; L134-H136 VanDerWaalsContact C-N 3.29Å; H136-C148 CarbonylContact O-C 3.6Å; H136-C148 WeakPolarHBondContact O-CA 3.07Å; H136-Y149 HydrophobicContact CB-CD1 4.43Å; H136-Y149 HydrophobicContact CB-CE1 4.26Å; H136-Y149 AromaticContact CD2-CE1 3.79Å; H136-Y149 AromaticContact CD2-CE2 3.45Å; H136-Y149 VanDerWaalsContact CD2-CE2 3.45Å; H136-Y149 WeakPolarHBondContact CD2-CE2 3.43Å; H136-Y149 AromaticContact CD2-CZ 3.31Å; H136-Y149 PolarHBondContact CD2-O 2.53Å; H136-Y149 AromaticContact NE2-CE2 3.81Å; H136-Y149 AromaticContact NE2-CZ 3.64Å; H136-Y149 PolarHBondContact NE2-OH 3.43Å; H136-Y149 WeakPolarHBondContact O-CD1 3.38Å; H136-Y149 PolarHBondContact O-N 2.9Å; H136-E275 IonicContact NE2-OE2 3.32Å; H136-E275 PolarHBondContact NE2-OE2 3.04Å; H136-L283 WeakPolarHBondContact NE2-CD2 3.34Å
137I98.8Very high98.2Very high1 Ų143.6 Ų43.61%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-96.1113.6178.3-61.5168.9000110.3V133 L146 Y147 C148 F186 L187 V289V133-I137 HydrophobicContact CG2-CD1 3.79Å; V133-I137 HydrophobicContact CG2-CG1 4.39Å; V133-I137 WeakPolarHBondContact O-CG1 3.39Å; V133-I137 PolarHBondContact O-N 3.16Å; I137-L146 HydrophobicContact CG2-CB 3.83Å; I137-L146 HydrophobicContact CG2-CD1 4.4Å; I137-L146 HydrophobicContact CG2-CD2 4.03Å; I137-L146 HydrophobicContact CG2-CG 4.31Å; I137-Y147 WeakPolarHBondContact CA-O 3.02Å; I137-C148 HydrophobicContact CG1-CB 3.95Å; I137-F186 CarbonylContact O-C 3.57Å; I137-F186 WeakPolarHBondContact O-CA 3.37Å; I137-L187 HydrophobicContact CB-CB 4.4Å; I137-L187 HydrophobicContact CB-CD1 3.72Å; I137-L187 HydrophobicContact CB-CG 3.97Å; I137-L187 HydrophobicContact CD1-CD1 3.85Å; I137-L187 HydrophobicContact CG1-CD1 4.39Å; I137-L187 HydrophobicContact CG2-CD1 3.46Å; I137-L187 VanDerWaalsContact CG2-CD1 3.46Å; I137-L187 HydrophobicContact CG2-CG 3.69Å; I137-L187 PolarHBondContact O-N 3.23Å; I137-V289 HydrophobicContact CD1-CG1 4.42Å; I137-V289 HydrophobicContact CD1-CG2 4.08Å
138L98.7Very high98.2Very high0 Ų038.3 Ų38.30%017%0.173CC..EExtended strand (participates in β ladder)trans-84.2147.6171.5-70.4157.6000110.7L146 Y147 Y149 K159 L162 L184 L185 F186L138-L146 VanDerWaalsContact O-CA 3.31Å; L138-L146 WeakPolarHBondContact O-CA 3.38Å; L138-Y147 HydrophobicContact CD1-CD1 3.78Å; L138-Y147 HydrophobicContact CD1-CE1 4.22Å; L138-Y147 PolarHBondContact N-O 2.78Å; L138-Y147 PolarHBondContact O-N 2.99Å; L138-Y149 HydrophobicContact CD1-CD1 4Å; L138-Y149 HydrophobicContact CD1-CG 4.48Å; L138-Y149 HydrophobicContact CG-CD1 4.28Å; L138-K159 HydrophobicContact CD1-CG 3.96Å; L138-L162 HydrophobicContact CB-CD2 3.56Å; L138-L162 HydrophobicContact CD1-CD2 4.05Å; L138-L162 HydrophobicContact CD2-CD2 4.38Å; L138-L162 HydrophobicContact CG-CD2 4.22Å; L138-L184 HydrophobicContact CD2-CB 3.68Å; L138-L184 HydrophobicContact CD2-CD1 4.05Å; L138-L184 HydrophobicContact CD2-CD2 4.21Å; L138-L184 HydrophobicContact CD2-CG 4.2Å; L138-L185 CarbonylContact C-O 3.54Å; L138-L185 WeakPolarHBondContact CA-O 3.34Å; L138-F186 HydrophobicContact CD2-CD1 3.74Å; L138-F186 HydrophobicContact CD2-CD2 4.33Å; L138-F186 HydrophobicContact CD2-CE1 3.33Å; L138-F186 HydrophobicContact CD2-CE2 3.98Å; L138-F186 HydrophobicContact CD2-CG 4.23Å; L138-F186 HydrophobicContact CD2-CZ 3.48Å; L138-F186 VanDerWaalsContact CD2-CZ 3.48Å; L138-F186 HydrophobicContact CG-CD1 4.17Å; L138-F186 HydrophobicContact CG-CE1 3.85Å; L138-F186 HydrophobicContact CG-CZ 4.43Å
139V98.6Very high98.3Very high7 Ų736.1 Ų36.14%0.04216%0.161CC..EExtended strand (participates in β ladder)trans-116.9134.2-177.9-175.50000109.2D141 L146 L185 L187 L190 Y202V139-D141 WeakPolarHBondContact CG1-OD1 3.23Å; V139-L146 HydrophobicContact CB-CD2 4.19Å; V139-L146 HydrophobicContact CG1-CD2 4.2Å; V139-L146 HydrophobicContact CG2-CD2 3.74Å; V139-L185 HydrophobicContact CB-CB 4.15Å; V139-L185 HydrophobicContact CB-CD2 3.88Å; V139-L185 HydrophobicContact CB-CG 3.92Å; V139-L185 HydrophobicContact CG1-CD2 3.88Å; V139-L185 HydrophobicContact CG1-CG 4.47Å; V139-L185 HydrophobicContact CG2-CG 4.31Å; V139-L185 PolarHBondContact N-O 3.17Å; V139-L187 HydrophobicContact CG2-CD2 3.56Å; V139-L187 HydrophobicContact CG2-CG 3.94Å; V139-L190 HydrophobicContact CG2-CD1 4.21Å; V139-Y202 HydrophobicContact CG1-CE2 4.2Å
140N98.3Very high98.3Very high5 Ų534 Ų343%0.02715%0.151CC..EExtended strand (participates in β ladder)trans-125.9112.8159.8-176.1-63.2000107.9E142 Y143 R144 F145N140-E142 PolarHBondContact OD1-N 2.98Å; N140-Y143 WeakPolarHBondContact OD1-CD2 3.34Å; N140-Y143 PolarHBondContact OD1-N 3.01Å; N140-R144 WeakPolarHBondContact O-CA 3.44Å; N140-R144 PolarHBondContact O-N 3.35Å; N140-R144 VanDerWaalsContact O-N 3.09Å; N140-F145 HydrophobicContact CB-CD1 3.93Å; N140-F145 HydrophobicContact CB-CD2 4.31Å; N140-F145 HydrophobicContact CB-CE1 3.45Å; N140-F145 VanDerWaalsContact CB-CE1 3.45Å; N140-F145 HydrophobicContact CB-CE2 3.87Å; N140-F145 HydrophobicContact CB-CG 4.34Å; N140-F145 HydrophobicContact CB-CZ 3.43Å; N140-F145 VanDerWaalsContact CB-CZ 3.43Å; N140-F145 PolarHBondContact N-O 3.15Å; N140-F145 VanDerWaalsContact N-O 3.09Å; N140-F145 PolarHBondContact O-N 3.44Å; N140-F145 VanDerWaalsContact O-N 3.08Å
141D97.7Very high98.3Very high61 Ų6131 Ų3133%0.32614%0.14SC..THydrogen-bonded Turntrans-78.2-33.4-175.5-77.9-35.8000112.8V139 R144 R198 Y202V139-D141 WeakPolarHBondContact CG1-OD1 3.23Å; D141-R144 VanDerWaalsContact O-CG 3.27Å; D141-R144 WeakPolarHBondContact O-CG 3.28Å; D141-R144 PolarHBondContact O-N 3.33Å; D141-R198 VanDerWaalsContact CG-NH2 3.3Å; D141-R198 IonicContact OD1-CZ 2.74Å; D141-R198 VanDerWaalsContact OD1-CZ 3.29Å; D141-R198 IonicContact OD1-NE 2.78Å; D141-R198 PolarHBondContact OD1-NE 3.33Å; D141-R198 IonicContact OD1-NH2 3.62Å; D141-R198 PolarHBondContact OD1-NH2 3.24Å; D141-R198 VanDerWaalsContact OD1-NH2 3.14Å; D141-R198 IonicContact OD2-CZ 3.76Å; D141-R198 IonicContact OD2-NE 3.61Å; D141-R198 IonicContact OD2-NH2 3.67Å; D141-R198 PolarHBondContact OD2-NH2 2.88Å; D141-Y202 WeakPolarHBondContact OD1-CE2 3.37Å; D141-Y202 VanDerWaalsContact OD1-CZ 3.24Å; D141-Y202 PolarHBondContact OD1-OH 2.73Å
142E96.8Very high98.2Very high136 Ų13626.6 Ų26.664%0.63612%0.12SC*.THydrogen-bonded Turntrans-63.7-50.2-179.8-176177.5166.900111.6N140 R144N140-E142 PolarHBondContact OD1-N 2.98Å; E142-R144 VanDerWaalsContact C-N 3.33Å
143Y97.9Very high98.1Very high49 Ų4925.8 Ų25.819%0.19212%0.115CC..THydrogen-bonded Turntrans-92.55.3178.2-63.1-91.2000112.7N140 F145 L165 P314N140-Y143 WeakPolarHBondContact OD1-CD2 3.34Å; N140-Y143 PolarHBondContact OD1-N 3.01Å; Y143-F145 PolarHBondContact O-N 3.45Å; Y143-L165 HydrophobicContact CD2-CB 3.99Å; Y143-L165 HydrophobicContact CD2-CD1 4.34Å; Y143-L165 HydrophobicContact CD2-CD2 4.2Å; Y143-L165 HydrophobicContact CD2-CG 4.41Å; Y143-L165 HydrophobicContact CE1-CD2 4.07Å; Y143-L165 HydrophobicContact CE2-CB 3.8Å; Y143-L165 HydrophobicContact CE2-CD2 3.74Å; Y143-L165 HydrophobicContact CE2-CG 4.25Å; Y143-P314 HydrophobicContact CE1-CG 4.35Å; Y143-P314 WeakPolarHBondContact OH-CD 3.47Å; Y143-P314 VanDerWaalsContact OH-CG 3.26Å; Y143-P314 WeakPolarHBondContact OH-CG 3.15Å
144R98.3Very high97.8Very high122 Ų12226.8 Ų26.846%0.4612%0.124SC..THydrogen-bonded Turntrans49.549.1173.2-59.6178.861.6158.31.2114.3N140 D141 E142 Y202 F203N140-R144 WeakPolarHBondContact O-CA 3.44Å; N140-R144 PolarHBondContact O-N 3.35Å; N140-R144 VanDerWaalsContact O-N 3.09Å; D141-R144 VanDerWaalsContact O-CG 3.27Å; D141-R144 WeakPolarHBondContact O-CG 3.28Å; D141-R144 PolarHBondContact O-N 3.33Å; E142-R144 VanDerWaalsContact C-N 3.33Å; R144-Y202 VanDerWaalsContact C-CD2 3.45Å; R144-Y202 HydrophobicContact CB-CD1 4.04Å; R144-Y202 HydrophobicContact CB-CD2 4.49Å; R144-Y202 HydrophobicContact CB-CE1 4.08Å; R144-Y202 HydrophobicContact CB-CG 4.26Å; R144-Y202 HydrophobicContact CG-CE1 4.16Å; R144-Y202 VanDerWaalsContact O-CA 3.3Å; R144-Y202 WeakPolarHBondContact O-CA 3.35Å; R144-Y202 VanDerWaalsContact O-CB 3.23Å; R144-Y202 WeakPolarHBondContact O-CB 3.33Å; R144-F203 PolarHBondContact O-N 3.2Å
145F98.8Very high97.6Very high0 Ų026.8 Ų26.80%013%0.125CC..EExtended strand (participates in β ladder)trans-127.1159.4176.673.5-101.5000113.6N140 Y143 L162 L165 F203 F205 I311N140-F145 HydrophobicContact CB-CD1 3.93Å; N140-F145 HydrophobicContact CB-CD2 4.31Å; N140-F145 HydrophobicContact CB-CE1 3.45Å; N140-F145 VanDerWaalsContact CB-CE1 3.45Å; N140-F145 HydrophobicContact CB-CE2 3.87Å; N140-F145 HydrophobicContact CB-CG 4.34Å; N140-F145 HydrophobicContact CB-CZ 3.43Å; N140-F145 VanDerWaalsContact CB-CZ 3.43Å; N140-F145 PolarHBondContact N-O 3.15Å; N140-F145 VanDerWaalsContact N-O 3.09Å; N140-F145 PolarHBondContact O-N 3.44Å; N140-F145 VanDerWaalsContact O-N 3.08Å; Y143-F145 PolarHBondContact O-N 3.45Å; F145-L162 HydrophobicContact CE2-CD1 3.91Å; F145-L162 HydrophobicContact CE2-CD2 4.25Å; F145-L162 HydrophobicContact CE2-CG 3.97Å; F145-L162 HydrophobicContact CZ-CD1 4.01Å; F145-L162 HydrophobicContact CZ-CG 3.87Å; F145-L165 HydrophobicContact CE1-CD1 3.85Å; F145-L165 HydrophobicContact CZ-CD1 4.09Å; F145-F203 CarbonylContact C-O 3.59Å; F145-F203 WeakPolarHBondContact CA-O 3.04Å; F145-F203 HydrophobicContact CB-CB 4.31Å; F145-F203 HydrophobicContact CB-CD1 4.36Å; F145-F203 WeakPolarHBondContact CB-O 3.24Å; F145-F205 HydrophobicContact CB-CE1 4.37Å; F145-F205 HydrophobicContact CD2-CD1 4.49Å; F145-F205 AromaticContact CD2-CE1 3.54Å; F145-F205 HydrophobicContact CD2-CE1 3.54Å; F145-F205 HydrophobicContact CD2-CZ 4.23Å; F145-F205 HydrophobicContact CE2-CE1 4.04Å; F145-F205 HydrophobicContact CE2-CZ 4.28Å; F145-F205 HydrophobicContact CG-CE1 4.09Å; F145-I311 HydrophobicContact CB-CG2 3.95Å; F145-I311 HydrophobicContact CD1-CB 4.19Å; F145-I311 HydrophobicContact CD1-CD1 3.76Å; F145-I311 HydrophobicContact CD1-CG2 3.97Å; F145-I311 HydrophobicContact CE1-CD1 3.61Å; F145-I311 HydrophobicContact CG-CG2 4.17Å; F145-I311 HydrophobicContact CZ-CD1 4.38Å
146L98.9Very high97.3Very high2 Ų224.8 Ų24.81%0.0112%0.12CC..EExtended strand (participates in β ladder)trans-122.9129.2172.8-63.6179.7000109.3I137 L138 V139 L187 R198 L199 Y202 F203 K204 F205I137-L146 HydrophobicContact CG2-CB 3.83Å; I137-L146 HydrophobicContact CG2-CD1 4.4Å; I137-L146 HydrophobicContact CG2-CD2 4.03Å; I137-L146 HydrophobicContact CG2-CG 4.31Å; L138-L146 VanDerWaalsContact O-CA 3.31Å; L138-L146 WeakPolarHBondContact O-CA 3.38Å; V139-L146 HydrophobicContact CB-CD2 4.19Å; V139-L146 HydrophobicContact CG1-CD2 4.2Å; V139-L146 HydrophobicContact CG2-CD2 3.74Å; L146-L187 HydrophobicContact CD1-CD1 4.33Å; L146-L187 HydrophobicContact CD2-CD2 4.02Å; L146-L187 HydrophobicContact CD2-CG 4.35Å; L146-R198 HydrophobicContact CD1-CB 4.24Å; L146-R198 HydrophobicContact CD2-CB 4.25Å; L146-L199 HydrophobicContact CD1-CD2 3.88Å; L146-L199 HydrophobicContact CD1-CG 4.43Å; L146-Y202 HydrophobicContact CD2-CD2 4.14Å; L146-Y202 HydrophobicContact CG-CD2 4.19Å; L146-F203 PolarHBondContact N-O 3.45Å; L146-K204 HydrophobicContact CB-CG 3.75Å; L146-K204 HydrophobicContact CD1-CD 4.21Å; L146-K204 HydrophobicContact CD1-CG 3.73Å; L146-K204 HydrophobicContact CG-CG 4.18Å; L146-K204 WeakPolarHBondContact O-CA 3.05Å; L146-F205 PolarHBondContact O-N 3.44Å
147Y98.8Very high97.1Very high0 Ų025.1 Ų25.10%012%0.122CC..EExtended strand (participates in β ladder)trans-119113.4178169.5-129.3000110.2I137 L138 Y149 C155 W158 L162 F205 F207I137-Y147 WeakPolarHBondContact CA-O 3.02Å; L138-Y147 HydrophobicContact CD1-CD1 3.78Å; L138-Y147 HydrophobicContact CD1-CE1 4.22Å; L138-Y147 PolarHBondContact N-O 2.78Å; L138-Y147 PolarHBondContact O-N 2.99Å; Y147-Y149 PolarHBondContact O-N 3.46Å; Y147-C155 WeakPolarHBondContact OH-CA 3.26Å; Y147-W158 HydrophobicContact CD1-CB 3.92Å; Y147-W158 HydrophobicContact CD1-CG 4.46Å; Y147-W158 HydrophobicContact CE1-CB 3.25Å; Y147-W158 AromaticContact CE1-CG 3.85Å; Y147-W158 HydrophobicContact CE1-CG 3.85Å; Y147-W158 HydrophobicContact CE2-CB 4.45Å; Y147-W158 HydrophobicContact CE2-CG 4.18Å; Y147-W158 AromaticContact CZ-CD1 3.76Å; Y147-W158 AromaticContact CZ-CG 3.68Å; Y147-L162 HydrophobicContact CD1-CD1 4.2Å; Y147-F205 WeakPolarHBondContact CA-O 3.42Å; Y147-F205 AromaticContact CD2-CD2 3.7Å; Y147-F205 HydrophobicContact CD2-CD2 3.7Å; Y147-F205 AromaticContact CD2-CE2 3.29Å; Y147-F205 HydrophobicContact CD2-CE2 3.29Å; Y147-F205 AromaticContact CD2-CZ 3.87Å; Y147-F205 HydrophobicContact CD2-CZ 3.87Å; Y147-F205 HydrophobicContact CE2-CD2 4.34Å; Y147-F205 AromaticContact CE2-CE2 3.96Å; Y147-F205 HydrophobicContact CE2-CE2 3.96Å; Y147-F205 AromaticContact CG-CE2 3.81Å; Y147-F205 HydrophobicContact CG-CE2 3.81Å; Y147-F205 AromaticContact CG-CZ 3.9Å; Y147-F205 HydrophobicContact CG-CZ 3.9Å; Y147-F207 HydrophobicContact CE2-CD2 4.34Å
148C98.8Very high97Very high0 Ų025 Ų250%012%0.122CC..EExtended strand (participates in β ladder)trans-81.2109.2168.9-169.30000109.9H136 I137 F205 M206 C284 Y291H136-C148 CarbonylContact O-C 3.6Å; H136-C148 WeakPolarHBondContact O-CA 3.07Å; I137-C148 HydrophobicContact CG1-CB 3.95Å; C148-F205 PolarHBondContact N-O 3.31Å; C148-M206 HydrophobicContact CB-CB 4.09Å; C148-C284 HydrophobicContact CB-CB 3.92Å; C148-C284 WeakPolarHBondContact CB-SG 3.37Å; C148-C284 WeakPolarHBondContact SG-CA 3.33Å; C148-C284 WeakPolarHBondContact SG-CB 3.18Å; C148-C284 CovalentContact SG-SG 2.04Å; C148-C284 PolarHBondContact SG-SG 3.39Å; C148-Y291 HydrophobicContact CB-CE1 3.7Å; C148-Y291 WeakPolarHBondContact CB-OH 3.17Å
149Y98.4Very high96.8Very high20 Ų2025.4 Ų25.48%0.07812%0.123CC..  trans-80.2134.2-178.583.1-97.8000111H136 L138 Y147 P151 C155 F186 E275H136-Y149 HydrophobicContact CB-CD1 4.43Å; H136-Y149 HydrophobicContact CB-CE1 4.26Å; H136-Y149 AromaticContact CD2-CE1 3.79Å; H136-Y149 AromaticContact CD2-CE2 3.45Å; H136-Y149 VanDerWaalsContact CD2-CE2 3.45Å; H136-Y149 WeakPolarHBondContact CD2-CE2 3.43Å; H136-Y149 AromaticContact CD2-CZ 3.31Å; H136-Y149 PolarHBondContact CD2-O 2.53Å; H136-Y149 AromaticContact NE2-CE2 3.81Å; H136-Y149 AromaticContact NE2-CZ 3.64Å; H136-Y149 PolarHBondContact NE2-OH 3.43Å; H136-Y149 WeakPolarHBondContact O-CD1 3.38Å; H136-Y149 PolarHBondContact O-N 2.9Å; L138-Y149 HydrophobicContact CD1-CD1 4Å; L138-Y149 HydrophobicContact CD1-CG 4.48Å; L138-Y149 HydrophobicContact CG-CD1 4.28Å; Y147-Y149 PolarHBondContact O-N 3.46Å; Y149-P151 HydrophobicContact CD2-CG 4.41Å; Y149-P151 HydrophobicContact CE2-CG 4.12Å; Y149-C155 HydrophobicContact CD2-CB 4.27Å; Y149-F186 HydrophobicContact CD1-CE1 4.27Å; Y149-F186 AromaticContact CE1-CE1 3.76Å; Y149-F186 HydrophobicContact CE1-CE1 3.76Å; Y149-E275 WeakPolarHBondContact CE2-OE2 3.2Å; Y149-E275 PolarHBondContact OH-OE2 3.01Å
150V98.5Very high96.6Very high1 Ų125.7 Ų25.71%0.00612%0.123CC..  trans-116.6119.3174.3-177.30000108.3K152 V153 C155 M206 I280 L283V150-K152 PolarHBondContact O-N 3.48Å; V150-V153 HydrophobicContact CB-CB 4.16Å; V150-V153 HydrophobicContact CB-CG2 3.82Å; V150-V153 HydrophobicContact CG1-CB 4.41Å; V150-V153 HydrophobicContact CG1-CG2 3.53Å; V150-V153 WeakPolarHBondContact O-CB 3.31Å; V150-V153 PolarHBondContact O-N 3.35Å; V150-C155 WeakPolarHBondContact O-CB 3.34Å; V150-M206 HydrophobicContact CG2-CE 4.1Å; V150-I280 HydrophobicContact CG1-CB 4.42Å; V150-I280 HydrophobicContact CG1-CD1 4.23Å; V150-I280 HydrophobicContact CG1-CG1 3.79Å; V150-I280 HydrophobicContact CG1-CG2 4.15Å; V150-I280 HydrophobicContact CG2-CG2 3.78Å; V150-L283 HydrophobicContact CG1-CD1 4.1Å
151P97.5Very high96.5Very high1 Ų125.4 Ų25.41%0.00612%0.122CC..THydrogen-bonded Turntrans-57.3143.9176.5-25.935.2000112.2Y149 V153 R214 E275 H276Y149-P151 HydrophobicContact CD2-CG 4.41Å; Y149-P151 HydrophobicContact CE2-CG 4.12Å; P151-V153 PolarHBondContact O-N 3.38Å; P151-R214 PolarHBondContact O-NE 3.17Å; P151-E275 HydrophobicContact CG-CB 4.22Å; P151-E275 HydrophobicContact CG-CG 4.06Å; P151-H276 VanDerWaalsContact CB-ND1 3.33Å; P151-H276 WeakPolarHBondContact CB-ND1 3.44Å
152K95.9Very high96.4Very high30 Ų3022.7 Ų22.713%0.1311%0.107CC..THydrogen-bonded Turntrans69.313.4-176.7-49.9-52.2-166.7-178.10115.5V150 R209 R214 S217 A218 N221V150-K152 PolarHBondContact O-N 3.48Å; K152-R209 PolarHBondContact O-NH1 3.31Å; K152-R214 HydrophobicContact CB-CG 3.82Å; K152-S217 WeakPolarHBondContact CE-O 3.48Å; K152-A218 HydrophobicContact CG-CB 4.18Å; K152-N221 PolarHBondContact NZ-OD1 2.98Å
153V96.6Very high96.3Very high0 Ų016.7 Ų16.70%08%0.079CC..THydrogen-bonded Turntrans-12051.2174.4-162.10000110.3V150 P151 C155 F207 V208 R209 R214 Y297V150-V153 HydrophobicContact CB-CB 4.16Å; V150-V153 HydrophobicContact CB-CG2 3.82Å; V150-V153 HydrophobicContact CG1-CB 4.41Å; V150-V153 HydrophobicContact CG1-CG2 3.53Å; V150-V153 WeakPolarHBondContact O-CB 3.31Å; V150-V153 PolarHBondContact O-N 3.35Å; P151-V153 PolarHBondContact O-N 3.38Å; V153-C155 PolarHBondContact O-N 3.2Å; V153-F207 HydrophobicContact CG1-CB 3.61Å; V153-V208 WeakPolarHBondContact CG1-O 3.48Å; V153-R209 HydrophobicContact CG1-CB 4.19Å; V153-R209 HydrophobicContact CG2-CB 3.81Å; V153-R214 HydrophobicContact CG2-CG 4.38Å; V153-Y297 HydrophobicContact CG1-CD2 4.21Å
154A92.4Very high96.1Very high21 Ų2115 Ų1517%0.1747%0.074CC..THydrogen-bonded Turntrans53.425-177.500000115.9S156 N157 W158 Y297 L300 F319A154-S156 PolarHBondContact O-N 3.14Å; A154-S156 VanDerWaalsContact O-N 3.14Å; A154-N157 WeakPolarHBondContact O-CB 3.34Å; A154-N157 PolarHBondContact O-N 3.29Å; A154-W158 PolarHBondContact O-N 2.84Å; A154-Y297 HydrophobicContact CB-CD2 4.42Å; A154-Y297 HydrophobicContact CB-CE2 4.15Å; A154-L300 HydrophobicContact CB-CD1 3.67Å; A154-L300 HydrophobicContact CB-CD2 3.86Å; A154-L300 HydrophobicContact CB-CG 4.45Å; A154-F319 HydrophobicContact CB-CE1 4.44Å; A154-F319 HydrophobicContact CB-CZ 3.82Å
155C93.6Very high96Very high15 Ų159.5 Ų9.510%0.1015%0.054CC..Hα-helixtrans-59-29.2-178.362.30000114.4Y147 Y149 V150 V153 N157 W158 K159Y147-C155 WeakPolarHBondContact OH-CA 3.26Å; Y149-C155 HydrophobicContact CD2-CB 4.27Å; V150-C155 WeakPolarHBondContact O-CB 3.34Å; V153-C155 PolarHBondContact O-N 3.2Å; C155-N157 VanDerWaalsContact C-N 3.33Å; C155-W158 PolarHBondContact O-N 3.12Å; C155-K159 WeakPolarHBondContact O-CB 3.32Å; C155-K159 VanDerWaalsContact O-CG 3.32Å; C155-K159 WeakPolarHBondContact O-CG 3.19Å; C155-K159 PolarHBondContact O-N 2.95Å
156S92.1Very high95.7Very high39 Ų3912.5 Ų12.527%0.2738%0.075SC..Hα-helixtrans-66.6-35.5175.6-52.70000112.3A154 K159 R160 H180A154-S156 PolarHBondContact O-N 3.14Å; A154-S156 VanDerWaalsContact O-N 3.14Å; S156-K159 PolarHBondContact O-N 2.88Å; S156-R160 PolarHBondContact O-N 3.43Å; S156-R160 VanDerWaalsContact O-N 3.09Å; S156-H180 PolarHBondContact OG-CE1 2.98Å; S156-H180 VanDerWaalsContact OG-CE1 3.24Å
157N93.8Very high95.3Very high17 Ų1715.6 Ų15.69%0.09111%0.107CC..Hα-helixtrans-71.7-42.7176.6-78.510.8000110.7A154 C155 K159 R160 V161 F319 P320 E321A154-N157 WeakPolarHBondContact O-CB 3.34Å; A154-N157 PolarHBondContact O-N 3.29Å; C155-N157 VanDerWaalsContact C-N 3.33Å; N157-K159 VanDerWaalsContact C-N 3.33Å; N157-K159 PolarHBondContact O-N 3.13Å; N157-R160 VanDerWaalsContact O-CB 3.3Å; N157-R160 WeakPolarHBondContact O-CB 3.43Å; N157-R160 PolarHBondContact O-N 2.89Å; N157-R160 VanDerWaalsContact O-N 3.11Å; N157-R160 PolarHBondContact OD1-NH1 3.22Å; N157-V161 PolarHBondContact O-N 3.14Å; N157-F319 HydrophobicContact CB-CE1 4.13Å; N157-F319 HydrophobicContact CB-CE2 3.75Å; N157-F319 HydrophobicContact CB-CZ 3.51Å; N157-P320 HydrophobicContact CB-CG 3.79Å; N157-P320 PolarHBondContact ND2-O 2.91Å; N157-E321 PolarHBondContact ND2-O 3.22Å
158W96Very high95Very high0 Ų017.6 Ų17.60%012%0.124CC..Hα-helixtrans-60.2-41.2171.3-81.9110.7000112.7Y147 A154 C155 R160 V161 L162 F205 F207 V307 L308 F319Y147-W158 HydrophobicContact CD1-CB 3.92Å; Y147-W158 HydrophobicContact CD1-CG 4.46Å; Y147-W158 HydrophobicContact CE1-CB 3.25Å; Y147-W158 AromaticContact CE1-CG 3.85Å; Y147-W158 HydrophobicContact CE1-CG 3.85Å; Y147-W158 HydrophobicContact CE2-CB 4.45Å; Y147-W158 HydrophobicContact CE2-CG 4.18Å; Y147-W158 AromaticContact CZ-CD1 3.76Å; Y147-W158 AromaticContact CZ-CG 3.68Å; A154-W158 PolarHBondContact O-N 2.84Å; C155-W158 PolarHBondContact O-N 3.12Å; W158-R160 VanDerWaalsContact C-N 3.28Å; W158-R160 PolarHBondContact O-N 3.38Å; W158-V161 HydrophobicContact CE3-CB 4.31Å; W158-V161 HydrophobicContact CE3-CG1 4.31Å; W158-V161 HydrophobicContact CZ3-CG1 4.23Å; W158-V161 WeakPolarHBondContact O-CB 3.48Å; W158-V161 PolarHBondContact O-N 3.28Å; W158-V161 VanDerWaalsContact O-N 3.16Å; W158-L162 WeakPolarHBondContact O-CD1 3.48Å; W158-L162 PolarHBondContact O-N 3.15Å; W158-F205 AromaticContact CD2-CE2 3.95Å; W158-F205 HydrophobicContact CD2-CE2 3.95Å; W158-F205 HydrophobicContact CD2-CZ 4.35Å; W158-F205 AromaticContact CE2-CE2 3.97Å; W158-F205 AromaticContact CE3-CE2 3.87Å; W158-F205 HydrophobicContact CE3-CE2 3.87Å; W158-F205 AromaticContact CE3-CZ 3.81Å; W158-F205 HydrophobicContact CE3-CZ 3.81Å; W158-F205 AromaticContact CH2-CE2 3.95Å; W158-F205 HydrophobicContact CH2-CE2 3.95Å; W158-F205 HydrophobicContact CH2-CZ 4.14Å; W158-F205 AromaticContact CZ2-CE2 3.99Å; W158-F205 HydrophobicContact CZ2-CE2 3.99Å; W158-F205 AromaticContact CZ3-CE2 3.87Å; W158-F205 HydrophobicContact CZ3-CE2 3.87Å; W158-F205 AromaticContact CZ3-CZ 3.69Å; W158-F205 HydrophobicContact CZ3-CZ 3.69Å; W158-F207 AromaticContact CE2-CD2 3.88Å; W158-F207 AromaticContact CE2-CE2 3.36Å; W158-F207 AromaticContact CE2-CZ 3.87Å; W158-F207 HydrophobicContact CH2-CE2 4.3Å; W158-F207 HydrophobicContact CZ2-CD2 4.2Å; W158-F207 HydrophobicContact CZ2-CE1 4.5Å; W158-F207 AromaticContact CZ2-CE2 3.23Å; W158-F207 HydrophobicContact CZ2-CE2 3.23Å; W158-F207 AromaticContact CZ2-CZ 3.44Å; W158-F207 HydrophobicContact CZ2-CZ 3.44Å; W158-F207 VanDerWaalsContact CZ2-CZ 3.44Å; W158-F207 AromaticContact NE1-CD2 3.32Å; W158-F207 VanDerWaalsContact NE1-CD2 3.32Å; W158-F207 AromaticContact NE1-CE2 3.26Å; W158-F207 VanDerWaalsContact NE1-CE2 3.26Å; W158-F207 AromaticContact NE1-CG 3.91Å; W158-F207 AromaticContact NE1-CZ 3.77Å; W158-V307 HydrophobicContact CH2-CB 3.75Å; W158-V307 HydrophobicContact CH2-CG1 3.47Å; W158-V307 VanDerWaalsContact CH2-CG1 3.47Å; W158-V307 HydrophobicContact CZ2-CB 4.33Å; W158-V307 HydrophobicContact CZ2-CG1 4.31Å; W158-V307 HydrophobicContact CZ3-CG1 3.95Å; W158-L308 HydrophobicContact CZ3-CD2 4.45Å; W158-F319 AromaticContact CD1-CE2 3.68Å; W158-F319 HydrophobicContact CD2-CD2 4.36Å; W158-F319 AromaticContact CD2-CE2 3.92Å; W158-F319 HydrophobicContact CD2-CE2 3.92Å; W158-F319 AromaticContact CE2-CE2 3.62Å; W158-F319 AromaticContact CG-CE2 3.93Å; W158-F319 HydrophobicContact CG-CE2 3.93Å; W158-F319 HydrophobicContact CZ2-CD2 4.13Å; W158-F319 HydrophobicContact CZ2-CE2 4.16Å; W158-F319 AromaticContact NE1-CE2 3.49Å
159K95.3Very high94.5Very high8 Ų819.5 Ų19.54%0.03513%0.134CC..Hα-helixtrans-62.1-33.9174.6-73.9178.7-179.5-168.70112.7L138 C155 S156 N157 L162 K163 H180 L184L138-K159 HydrophobicContact CD1-CG 3.96Å; C155-K159 WeakPolarHBondContact O-CB 3.32Å; C155-K159 VanDerWaalsContact O-CG 3.32Å; C155-K159 WeakPolarHBondContact O-CG 3.19Å; C155-K159 PolarHBondContact O-N 2.95Å; S156-K159 PolarHBondContact O-N 2.88Å; N157-K159 VanDerWaalsContact C-N 3.33Å; N157-K159 PolarHBondContact O-N 3.13Å; K159-L162 PolarHBondContact O-N 2.91Å; K159-K163 WeakPolarHBondContact O-CG 3.34Å; K159-K163 PolarHBondContact O-N 3.37Å; K159-H180 HydrophobicContact CD-CB 4.28Å; K159-H180 PolarHBondContact NZ-O 3.08Å; K159-L184 HydrophobicContact CB-CD1 4.19Å; K159-L184 HydrophobicContact CD-CD1 3.84Å; K159-L184 HydrophobicContact CG-CD1 3.85Å
160R93.9Very high94.1Very high12 Ų1227.4 Ų27.45%0.04517%0.171CC..Hα-helixtrans-61.2-50.7170.1-77.1176.9-178.8119.3-0.5111.4S156 N157 W158 L162 K163 V164 I176 M178 P320S156-R160 PolarHBondContact O-N 3.43Å; S156-R160 VanDerWaalsContact O-N 3.09Å; N157-R160 VanDerWaalsContact O-CB 3.3Å; N157-R160 WeakPolarHBondContact O-CB 3.43Å; N157-R160 PolarHBondContact O-N 2.89Å; N157-R160 VanDerWaalsContact O-N 3.11Å; N157-R160 PolarHBondContact OD1-NH1 3.22Å; W158-R160 VanDerWaalsContact C-N 3.28Å; W158-R160 PolarHBondContact O-N 3.38Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 3.48Å; R160-K163 PolarHBondContact O-N 2.93Å; R160-K163 VanDerWaalsContact O-N 3.08Å; R160-V164 WeakPolarHBondContact O-CG2 3.4Å; R160-V164 PolarHBondContact O-N 3.34Å; R160-I176 PolarHBondContact NH2-O 2.92Å; R160-M178 HydrophobicContact CB-CE 4.46Å; R160-M178 HydrophobicContact CG-CE 3.21Å; R160-M178 HydrophobicContact CG-CG 4.45Å; R160-M178 HydrophobicContact CG-SD 3.89Å; R160-P320 HydrophobicContact CB-CG 4.34Å
161V95.7Very high93.6Very high0 Ų029.5 Ų29.50%019%0.186CC..Hα-helixtrans-53.9-48.1176.8172.10000110.3N157 W158 K163 V164 L165 V172 L308 V317 F319N157-V161 PolarHBondContact O-N 3.14Å; W158-V161 HydrophobicContact CE3-CB 4.31Å; W158-V161 HydrophobicContact CE3-CG1 4.31Å; W158-V161 HydrophobicContact CZ3-CG1 4.23Å; W158-V161 WeakPolarHBondContact O-CB 3.48Å; W158-V161 PolarHBondContact O-N 3.28Å; W158-V161 VanDerWaalsContact O-N 3.16Å; V161-K163 PolarHBondContact O-N 3.02Å; V161-V164 PolarHBondContact O-N 2.95Å; V161-L165 HydrophobicContact CG1-CD1 3.8Å; V161-L165 HydrophobicContact CG1-CG 4.26Å; V161-L165 WeakPolarHBondContact O-CB 3.22Å; V161-L165 VanDerWaalsContact O-CG 3.28Å; V161-L165 WeakPolarHBondContact O-CG 3.37Å; V161-L165 PolarHBondContact O-N 2.91Å; V161-V172 HydrophobicContact CG2-CG1 4.18Å; V161-L308 HydrophobicContact CG1-CD2 3.79Å; V161-V317 HydrophobicContact CG1-CG1 4.11Å; V161-F319 HydrophobicContact CG2-CD2 4.38Å
162L96Very high93.1Very high3 Ų329.5 Ų29.52%0.01619%0.186CC..Hα-helixtrans-59-44.5177-87.380.2000112.5L138 F145 Y147 W158 K159 R160 V164 L165 S166 L184L138-L162 HydrophobicContact CB-CD2 3.56Å; L138-L162 HydrophobicContact CD1-CD2 4.05Å; L138-L162 HydrophobicContact CD2-CD2 4.38Å; L138-L162 HydrophobicContact CG-CD2 4.22Å; F145-L162 HydrophobicContact CE2-CD1 3.91Å; F145-L162 HydrophobicContact CE2-CD2 4.25Å; F145-L162 HydrophobicContact CE2-CG 3.97Å; F145-L162 HydrophobicContact CZ-CD1 4.01Å; F145-L162 HydrophobicContact CZ-CG 3.87Å; Y147-L162 HydrophobicContact CD1-CD1 4.2Å; W158-L162 WeakPolarHBondContact O-CD1 3.48Å; W158-L162 PolarHBondContact O-N 3.15Å; K159-L162 PolarHBondContact O-N 2.91Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 3.48Å; L162-V164 VanDerWaalsContact C-N 3.34Å; L162-V164 PolarHBondContact O-N 3.46Å; L162-L165 PolarHBondContact O-N 3.27Å; L162-S166 WeakPolarHBondContact O-CB 3.27Å; L162-S166 PolarHBondContact O-N 3.43Å; L162-S166 PolarHBondContact O-OG 3.15Å; L162-L184 HydrophobicContact CB-CD2 3.84Å; L162-L184 HydrophobicContact CD2-CD2 4.2Å
163K94.4Very high92.6Very high11 Ų1132.3 Ų32.35%0.04820%0.202CC..Hα-helixtrans-65.4-36.8179.1-75-167.2176-138.60112.6K159 R160 V161 S166 G167 A168 L169 M178 S182 D183 L184K159-K163 WeakPolarHBondContact O-CG 3.34Å; K159-K163 PolarHBondContact O-N 3.37Å; R160-K163 PolarHBondContact O-N 2.93Å; R160-K163 VanDerWaalsContact O-N 3.08Å; V161-K163 PolarHBondContact O-N 3.02Å; K163-S166 PolarHBondContact O-N 3.13Å; K163-G167 PolarHBondContact O-N 3.13Å; K163-A168 HydrophobicContact CB-CB 4.21Å; K163-A168 HydrophobicContact CG-CB 4.47Å; K163-A168 WeakPolarHBondContact O-CA 3.44Å; K163-A168 PolarHBondContact O-N 3.41Å; K163-L169 HydrophobicContact CB-CB 4.23Å; K163-L169 HydrophobicContact CB-CD1 3.69Å; K163-L169 HydrophobicContact CB-CG 3.79Å; K163-L169 HydrophobicContact CD-CD1 4Å; K163-L169 HydrophobicContact CD-CG 4.23Å; K163-L169 HydrophobicContact CG-CD1 4.48Å; K163-L169 PolarHBondContact O-N 3.31Å; K163-M178 HydrophobicContact CD-SD 3.98Å; K163-S182 WeakPolarHBondContact CE-O 3.28Å; K163-S182 PolarHBondContact NZ-O 3.06Å; K163-D183 IonicContact NZ-OD2 2.73Å; K163-D183 PolarHBondContact NZ-OD2 2.71Å; K163-L184 HydrophobicContact CG-CD2 4.08Å
164V95Very high91.9Very high13 Ų1334.5 Ų34.58%0.07922%0.215CC..Hα-helixtrans-66.6-47174.4173.90000110.8R160 V161 L162 S166 G167 L169 S171 V172 F316 V317R160-V164 WeakPolarHBondContact O-CG2 3.4Å; R160-V164 PolarHBondContact O-N 3.34Å; V161-V164 PolarHBondContact O-N 2.95Å; L162-V164 VanDerWaalsContact C-N 3.34Å; L162-V164 PolarHBondContact O-N 3.46Å; V164-S166 PolarHBondContact O-N 2.92Å; V164-G167 PolarHBondContact O-N 3.38Å; V164-L169 WeakPolarHBondContact CA-O 3.33Å; V164-L169 HydrophobicContact CG2-CB 3.77Å; V164-S171 VanDerWaalsContact CG2-C 3.41Å; V164-V172 HydrophobicContact CB-CG1 4.24Å; V164-V172 HydrophobicContact CG2-CG1 3.79Å; V164-F316 HydrophobicContact CG1-CE2 4.34Å; V164-V317 HydrophobicContact CG1-CG2 3.91Å
165L95.3Very high90.9Very high7 Ų739.6 Ų39.64%0.03724%0.24CC..Hα-helixtrans-61.9-29.7177.7-68.7175.6000112.6Y143 F145 V161 L162 G167 I311 A313 V317Y143-L165 HydrophobicContact CD2-CB 3.99Å; Y143-L165 HydrophobicContact CD2-CD1 4.34Å; Y143-L165 HydrophobicContact CD2-CD2 4.2Å; Y143-L165 HydrophobicContact CD2-CG 4.41Å; Y143-L165 HydrophobicContact CE1-CD2 4.07Å; Y143-L165 HydrophobicContact CE2-CB 3.8Å; Y143-L165 HydrophobicContact CE2-CD2 3.74Å; Y143-L165 HydrophobicContact CE2-CG 4.25Å; F145-L165 HydrophobicContact CE1-CD1 3.85Å; F145-L165 HydrophobicContact CZ-CD1 4.09Å; V161-L165 HydrophobicContact CG1-CD1 3.8Å; V161-L165 HydrophobicContact CG1-CG 4.26Å; V161-L165 WeakPolarHBondContact O-CB 3.22Å; V161-L165 VanDerWaalsContact O-CG 3.28Å; V161-L165 WeakPolarHBondContact O-CG 3.37Å; V161-L165 PolarHBondContact O-N 2.91Å; L162-L165 PolarHBondContact O-N 3.27Å; L165-G167 VanDerWaalsContact C-N 3.34Å; L165-I311 HydrophobicContact CD1-CD1 4Å; L165-A313 HydrophobicContact CD2-CB 4.25Å; L165-V317 HydrophobicContact CD2-CB 4.44Å; L165-V317 HydrophobicContact CD2-CG1 4.16Å; L165-V317 HydrophobicContact CD2-CG2 4.05Å; L165-V317 HydrophobicContact CG-CG1 4.45Å
166S92.6Very high89.9Confident63 Ų6343.6 Ų43.644%0.44126%0.259SS..THydrogen-bonded Turntrans-87.22.7175.2-57.10000114L162 K163 V164 A168L162-S166 WeakPolarHBondContact O-CB 3.27Å; L162-S166 PolarHBondContact O-N 3.43Å; L162-S166 PolarHBondContact O-OG 3.15Å; K163-S166 PolarHBondContact O-N 3.13Å; V164-S166 PolarHBondContact O-N 2.92Å; S166-A168 PolarHBondContact O-N 2.97Å
167G91.8Very high89Confident66 Ų6651.4 Ų51.468%0.6829%0.288SS*.THydrogen-bonded Turntrans72.28.8-177.100000115.5K163 V164 L165K163-G167 PolarHBondContact O-N 3.13Å; V164-G167 PolarHBondContact O-N 3.38Å; L165-G167 VanDerWaalsContact C-N 3.34Å
168A90.9Very high88.2Confident43 Ų4351.6 Ų51.636%0.35529%0.289SS..SBendtrans-80.9-15.3177.800000113.3K163 S166 D183K163-A168 HydrophobicContact CB-CB 4.21Å; K163-A168 HydrophobicContact CG-CB 4.47Å; K163-A168 WeakPolarHBondContact O-CA 3.44Å; K163-A168 PolarHBondContact O-N 3.41Å; S166-A168 PolarHBondContact O-N 2.97Å; A168-D183 HydrophobicContact CB-CB 3.74Å
169L89.7Confident87.5Confident40 Ų4055 Ų5521%0.20931%0.307CS..  trans-135.3144.1171.7-71.7178.5000109.8K163 V164 M178K163-L169 HydrophobicContact CB-CB 4.23Å; K163-L169 HydrophobicContact CB-CD1 3.69Å; K163-L169 HydrophobicContact CB-CG 3.79Å; K163-L169 HydrophobicContact CD-CD1 4Å; K163-L169 HydrophobicContact CD-CG 4.23Å; K163-L169 HydrophobicContact CG-CD1 4.48Å; K163-L169 PolarHBondContact O-N 3.31Å; V164-L169 WeakPolarHBondContact CA-O 3.33Å; V164-L169 HydrophobicContact CG2-CB 3.77Å; L169-M178 HydrophobicContact CD1-CE 3.91Å; L169-M178 HydrophobicContact CD1-SD 4.4Å
170E88.5Confident86.8Confident186 Ų18658.2 Ų58.287%0.86932%0.322SS*.SBendtrans-74.2-34.2179.7-63.6178.9173.800112.9
171S89.6Confident86.2Confident45 Ų4566.8 Ų66.832%0.31535%0.354SS..  trans-151154.5-177.1170.70000112.3V164 D173 V174V164-S171 VanDerWaalsContact CG2-C 3.41Å; S171-D173 VanDerWaalsContact C-N 3.27Å; S171-D173 PolarHBondContact O-N 3.32Å; S171-D173 PolarHBondContact OG-N 3.29Å; S171-V174 VanDerWaalsContact O-CG2 3.3Å; S171-V174 WeakPolarHBondContact O-CG2 3.41Å
172V86.9Confident85.5Confident1 Ų170 Ų701%0.00638%0.377CS..THydrogen-bonded Turntrans-71.7-21.3175.6-66.90000112.8V161 V164 V174 V317 H318 P320V161-V172 HydrophobicContact CG2-CG1 4.18Å; V164-V172 HydrophobicContact CB-CG1 4.24Å; V164-V172 HydrophobicContact CG2-CG1 3.79Å; V172-V174 VanDerWaalsContact C-N 3.32Å; V172-V317 HydrophobicContact CG1-CG1 4.34Å; V172-H318 WeakPolarHBondContact CG2-CE1 3.11Å; V172-H318 WeakPolarHBondContact CG2-NE2 3.28Å; V172-P320 HydrophobicContact CB-CB 4.17Å; V172-P320 HydrophobicContact CB-CG 3.94Å
173D85.7Confident85Confident89 Ų8974.8 Ų74.848%0.47640%0.403SS..THydrogen-bonded Turntrans-89.52.3-175.4-58.9-45.9000113.4S171 N175 H318S171-D173 VanDerWaalsContact C-N 3.27Å; S171-D173 PolarHBondContact O-N 3.32Å; S171-D173 PolarHBondContact OG-N 3.29Å; D173-N175 PolarHBondContact O-N 3Å; D173-H318 IonicContact OD1-CE1 3.66Å; D173-H318 IonicContact OD1-NE2 2.65Å; D173-H318 PolarHBondContact OD1-NE2 2.61Å; D173-H318 VanDerWaalsContact OD1-NE2 3.11Å; D173-H318 IonicContact OD2-CE1 3.86Å; D173-H318 PolarHBondContact OD2-CE1 3.03Å; D173-H318 IonicContact OD2-NE2 2.78Å; D173-H318 PolarHBondContact OD2-NE2 2.91Å
174V80.8Confident85Confident45 Ų4575.2 Ų75.227%0.27341%0.405SS..  trans-61.8121.3178.6176.60000110.4S171 V172 I176S171-V174 VanDerWaalsContact O-CG2 3.3Å; S171-V174 WeakPolarHBondContact O-CG2 3.41Å; V172-V174 VanDerWaalsContact C-N 3.32Å; V174-I176 HydrophobicContact CG1-CB 4.02Å; V174-I176 HydrophobicContact CG1-CD1 3.33Å; V174-I176 HydrophobicContact CG1-CG1 3.47Å; V174-I176 VanDerWaalsContact CG1-CG1 3.47Å; V174-I176 PolarHBondContact O-N 2.84Å
175N71.6Confident85Confident129 Ų12977.5 Ų77.569%0.6942%0.417SS*.  trans-82.657.4-179-168.719.8000112.3D173D173-N175 PolarHBondContact O-N 3Å
176I72.1Confident85.2Confident99 Ų9978.6 Ų78.651%0.50842%0.421SS..  trans-109.1142.9175.5-65.7170.8000109.4R160 V174 M178R160-I176 PolarHBondContact NH2-O 2.92Å; V174-I176 HydrophobicContact CG1-CB 4.02Å; V174-I176 HydrophobicContact CG1-CD1 3.33Å; V174-I176 HydrophobicContact CG1-CG1 3.47Å; V174-I176 VanDerWaalsContact CG1-CG1 3.47Å; V174-I176 PolarHBondContact O-N 2.84Å; I176-M178 PolarHBondContact O-N 2.89Å; I176-M178 VanDerWaalsContact O-N 3.12Å
177K74Confident85.5Confident202 Ų20275.6 Ų75.688%0.87840%0.4SS*.PPolyproline II helixtrans-59.2116.2169.8-177.1178.8179.8179.90108.4D179K177-D179 PolarHBondContact O-N 3.05Å
178M77.4Confident85.7Confident21 Ų2175.1 Ų75.110%0.10339%0.386CS..PPolyproline II helixtrans-69.4119.7-172.9-167.153.334.200111.5R160 K163 L169 I176R160-M178 HydrophobicContact CB-CE 4.46Å; R160-M178 HydrophobicContact CG-CE 3.21Å; R160-M178 HydrophobicContact CG-CG 4.45Å; R160-M178 HydrophobicContact CG-SD 3.89Å; K163-M178 HydrophobicContact CD-SD 3.98Å; L169-M178 HydrophobicContact CD1-CE 3.91Å; L169-M178 HydrophobicContact CD1-SD 4.4Å; I176-M178 PolarHBondContact O-N 2.89Å; I176-M178 VanDerWaalsContact O-N 3.12Å
179D80.3Confident86.1Confident72 Ų7276.9 Ų76.939%0.38540%0.396SS..PPolyproline II helixtrans-75.2134.2162.417744.9000109.9K177 S182K177-D179 PolarHBondContact O-N 3.05Å; D179-S182 WeakPolarHBondContact OD2-CA 3.32Å; D179-S182 WeakPolarHBondContact OD2-CB 3.44Å; D179-S182 PolarHBondContact OD2-N 3.31Å; D179-S182 PolarHBondContact OD2-OG 2.59Å
180H81.4Confident86.5Confident75 Ų7576.3 Ų76.335%0.34739%0.393SS..SBendtrans-101.44.9-166.6-72.3-41.2000113.7S156 K159S156-H180 PolarHBondContact OG-CE1 2.98Å; S156-H180 VanDerWaalsContact OG-CE1 3.24Å; K159-H180 HydrophobicContact CD-CB 4.28Å; K159-H180 PolarHBondContact NZ-O 3.08Å
181R79.9Confident86.9Confident193 Ų19373.8 Ų73.873%0.72838%0.379SS*.SBendtrans-135.6-49.5-174.9-69.9-170.5174.5-165.7-1.4114.7L184R181-L184 PolarHBondContact O-N 2.8Å
182S82.7Confident87.3Confident68 Ų6874.8 Ų74.848%0.47639%0.385SS..THydrogen-bonded Turntrans-60.4145.7-179.9-55.50000109.9K163 D179 L184K163-S182 WeakPolarHBondContact CE-O 3.28Å; K163-S182 PolarHBondContact NZ-O 3.06Å; D179-S182 WeakPolarHBondContact OD2-CA 3.32Å; D179-S182 WeakPolarHBondContact OD2-CB 3.44Å; D179-S182 PolarHBondContact OD2-N 3.31Å; D179-S182 PolarHBondContact OD2-OG 2.59Å; S182-L184 PolarHBondContact O-N 3.01Å; S182-L184 VanDerWaalsContact O-N 3.12Å
183D85.4Confident87.9Confident103 Ų10380 Ų8055%0.55141%0.409SS*.THydrogen-bonded Turntrans61.917.7177.9-29.5-58.1000114.1K163 A168K163-D183 IonicContact NZ-OD2 2.73Å; K163-D183 PolarHBondContact NZ-OD2 2.71Å; A168-D183 HydrophobicContact CB-CB 3.74Å
184L93.1Very high88.5Confident20 Ų2079 Ų7911%0.10540%0.401CS..  trans-121127.1176.5-66.6175.5000110.1L138 K159 L162 K163 R181 S182 F186L138-L184 HydrophobicContact CD2-CB 3.68Å; L138-L184 HydrophobicContact CD2-CD1 4.05Å; L138-L184 HydrophobicContact CD2-CD2 4.21Å; L138-L184 HydrophobicContact CD2-CG 4.2Å; K159-L184 HydrophobicContact CB-CD1 4.19Å; K159-L184 HydrophobicContact CD-CD1 3.84Å; K159-L184 HydrophobicContact CG-CD1 3.85Å; L162-L184 HydrophobicContact CB-CD2 3.84Å; L162-L184 HydrophobicContact CD2-CD2 4.2Å; K163-L184 HydrophobicContact CG-CD2 4.08Å; R181-L184 PolarHBondContact O-N 2.8Å; S182-L184 PolarHBondContact O-N 3.01Å; S182-L184 VanDerWaalsContact O-N 3.12Å; L184-F186 HydrophobicContact CB-CE2 3.85Å; L184-F186 HydrophobicContact CB-CZ 4.23Å; L184-F186 WeakPolarHBondContact O-CD2 3.38Å
185L96.7Very high89.3Confident61 Ų6177.1 Ų77.132%0.31939%0.39SS..EExtended strand (participates in β ladder)trans-90.4130.3175-176.763000109.9L138 V139 S189 L190L138-L185 CarbonylContact C-O 3.54Å; L138-L185 WeakPolarHBondContact CA-O 3.34Å; V139-L185 HydrophobicContact CB-CB 4.15Å; V139-L185 HydrophobicContact CB-CD2 3.88Å; V139-L185 HydrophobicContact CB-CG 3.92Å; V139-L185 HydrophobicContact CG1-CD2 3.88Å; V139-L185 HydrophobicContact CG1-CG 4.47Å; V139-L185 HydrophobicContact CG2-CG 4.31Å; V139-L185 PolarHBondContact N-O 3.17Å; L185-S189 WeakPolarHBondContact CD1-OG 3.4Å; L185-L190 HydrophobicContact CD1-CD2 3.99Å; L185-L190 HydrophobicContact CD1-CG 4.47Å; L185-L190 HydrophobicContact CD2-CD2 4.34Å
186F98Very high90.6Very high29 Ų2978.3 Ų78.313%0.12739%0.385CS..EExtended strand (participates in β ladder)trans-112149.9177.5-65.6-93.1000110.1Q135 I137 L138 Y149 L184 S188 S189Q135-F186 WeakPolarHBondContact O-CD1 3.35Å; Q135-F186 WeakPolarHBondContact O-CE1 3.22Å; I137-F186 CarbonylContact O-C 3.57Å; I137-F186 WeakPolarHBondContact O-CA 3.37Å; L138-F186 HydrophobicContact CD2-CD1 3.74Å; L138-F186 HydrophobicContact CD2-CD2 4.33Å; L138-F186 HydrophobicContact CD2-CE1 3.33Å; L138-F186 HydrophobicContact CD2-CE2 3.98Å; L138-F186 HydrophobicContact CD2-CG 4.23Å; L138-F186 HydrophobicContact CD2-CZ 3.48Å; L138-F186 VanDerWaalsContact CD2-CZ 3.48Å; L138-F186 HydrophobicContact CG-CD1 4.17Å; L138-F186 HydrophobicContact CG-CE1 3.85Å; L138-F186 HydrophobicContact CG-CZ 4.43Å; Y149-F186 HydrophobicContact CD1-CE1 4.27Å; Y149-F186 AromaticContact CE1-CE1 3.76Å; Y149-F186 HydrophobicContact CE1-CE1 3.76Å; L184-F186 HydrophobicContact CB-CE2 3.85Å; L184-F186 HydrophobicContact CB-CZ 4.23Å; L184-F186 WeakPolarHBondContact O-CD2 3.38Å; F186-S188 PolarHBondContact O-N 2.77Å; F186-S189 PolarHBondContact O-N 2.85Å; F186-S189 VanDerWaalsContact O-N 3.11Å; F186-S189 PolarHBondContact O-OG 2.77Å
187L98.4Very high91.9Very high0 Ų079 Ų790%038%0.381CS..G310 helixtrans-59.2-30.9172.9-74.2-174.9000111.9L134 I137 V139 L146 S189 L190 I195 R198 L199L134-L187 HydrophobicContact CB-CB 4.33Å; L134-L187 HydrophobicContact CD2-CB 3.87Å; L134-L187 HydrophobicContact CD2-CD1 4.03Å; I137-L187 HydrophobicContact CB-CB 4.4Å; I137-L187 HydrophobicContact CB-CD1 3.72Å; I137-L187 HydrophobicContact CB-CG 3.97Å; I137-L187 HydrophobicContact CD1-CD1 3.85Å; I137-L187 HydrophobicContact CG1-CD1 4.39Å; I137-L187 HydrophobicContact CG2-CD1 3.46Å; I137-L187 VanDerWaalsContact CG2-CD1 3.46Å; I137-L187 HydrophobicContact CG2-CG 3.69Å; I137-L187 PolarHBondContact O-N 3.23Å; V139-L187 HydrophobicContact CG2-CD2 3.56Å; V139-L187 HydrophobicContact CG2-CG 3.94Å; L146-L187 HydrophobicContact CD1-CD1 4.33Å; L146-L187 HydrophobicContact CD2-CD2 4.02Å; L146-L187 HydrophobicContact CD2-CG 4.35Å; L187-S189 PolarHBondContact O-N 3.08Å; L187-L190 HydrophobicContact CD2-CD1 4.07Å; L187-L190 PolarHBondContact O-N 2.58Å; L187-L190 VanDerWaalsContact O-N 3.13Å; L187-I195 HydrophobicContact CB-CG1 4.41Å; L187-I195 HydrophobicContact CD1-CG2 4.41Å; L187-I195 HydrophobicContact CD2-CG1 4.37Å; L187-I195 VanDerWaalsContact O-CD1 3.29Å; L187-I195 WeakPolarHBondContact O-CD1 3.21Å; L187-I195 WeakPolarHBondContact O-CG1 3.44Å; L187-R198 HydrophobicContact CD2-CB 4.38Å; L187-L199 HydrophobicContact CD1-CD2 3.95Å; L187-L199 HydrophobicContact CD1-CG 4.19Å
188S97.7Very high93Very high56 Ų5670.6 Ų70.639%0.39234%0.344SS..G310 helixtrans-64.3-16.2178.459.30000115L134 F186L134-S188 PolarHBondContact O-N 3.47Å; F186-S188 PolarHBondContact O-N 2.77Å
189S97.5Very high94.1Very high80 Ų8070.9 Ų70.956%0.55935%0.346SS*.G310 helixtrans-94.5-0.1176.458.10000113.6L185 F186 L187L185-S189 WeakPolarHBondContact CD1-OG 3.4Å; F186-S189 PolarHBondContact O-N 2.85Å; F186-S189 VanDerWaalsContact O-N 3.11Å; F186-S189 PolarHBondContact O-OG 2.77Å; L187-S189 PolarHBondContact O-N 3.08Å
190L98.2Very high94.9Very high29 Ų2975.1 Ų75.115%0.15236%0.361CS..SBendtrans-102.4159.3-177-62.5-178.3000112.1V139 L185 L187 E194 I195V139-L190 HydrophobicContact CG2-CD1 4.21Å; L185-L190 HydrophobicContact CD1-CD2 3.99Å; L185-L190 HydrophobicContact CD1-CG 4.47Å; L185-L190 HydrophobicContact CD2-CD2 4.34Å; L187-L190 HydrophobicContact CD2-CD1 4.07Å; L187-L190 PolarHBondContact O-N 2.58Å; L187-L190 VanDerWaalsContact O-N 3.13Å; L190-E194 HydrophobicContact CB-CB 4.05Å; L190-E194 HydrophobicContact CD1-CB 4.45Å; L190-I195 HydrophobicContact CB-CG1 3.9Å
191K98.3Very high95.7Very high133 Ų13375.7 Ų75.758%0.57836%0.364SS*.  trans-73155.5174.1-61.4178.9-176.9172.80111.4E193 E194 I195K191-E193 VanDerWaalsContact C-N 3.28Å; K191-E193 VanDerWaalsContact CB-CD 3.44Å; K191-E193 WeakPolarHBondContact CB-OE1 3.32Å; K191-E193 WeakPolarHBondContact CB-OE2 3.47Å; K191-E193 WeakPolarHBondContact CD-OE1 3.21Å; K191-E193 PolarHBondContact O-N 3.23Å; K191-E194 HydrophobicContact CB-CG 4.35Å; K191-E194 PolarHBondContact N-OE2 3.06Å; K191-E194 WeakPolarHBondContact O-CB 3.37Å; K191-E194 PolarHBondContact O-N 2.98Å; K191-I195 WeakPolarHBondContact O-CG1 3.45Å; K191-I195 PolarHBondContact O-N 2.9Å
192P98.2Very high96.6Very high65 Ų6567.4 Ų67.442%0.42233%0.333SS..Hα-helixtrans-53.5-37.6-177.1-29.937.6000115.8W123 R196W123-P192 HydrophobicContact CH2-CB 3.69Å; W123-P192 HydrophobicContact CH2-CG 4.3Å; W123-P192 HydrophobicContact CZ2-CB 4.12Å; W123-P192 HydrophobicContact CZ3-CB 4.48Å; P192-R196 PolarHBondContact O-N 2.78Å
193E98.1Very high97.4Very high112 Ų11265.4 Ų65.452%0.52332%0.316SS..Hα-helixtrans-67.1-40.8177.563.8-77.7-175.500112.3K191 R196 Y197K191-E193 VanDerWaalsContact C-N 3.28Å; K191-E193 VanDerWaalsContact CB-CD 3.44Å; K191-E193 WeakPolarHBondContact CB-OE1 3.32Å; K191-E193 WeakPolarHBondContact CB-OE2 3.47Å; K191-E193 WeakPolarHBondContact CD-OE1 3.21Å; K191-E193 PolarHBondContact O-N 3.23Å; E193-R196 PolarHBondContact O-N 2.65Å; E193-Y197 PolarHBondContact O-N 2.04Å
194E98.6Very high98Very high67 Ų6761.4 Ų61.431%0.31329%0.293SS..Hα-helixtrans-66.3-40176.3-67.3-176.9118.100111.5L190 K191 Y197 R198L190-E194 HydrophobicContact CB-CB 4.05Å; L190-E194 HydrophobicContact CD1-CB 4.45Å; K191-E194 HydrophobicContact CB-CG 4.35Å; K191-E194 PolarHBondContact N-OE2 3.06Å; K191-E194 WeakPolarHBondContact O-CB 3.37Å; K191-E194 PolarHBondContact O-N 2.98Å; E194-Y197 PolarHBondContact O-N 3Å; E194-R198 WeakPolarHBondContact O-CG 3.13Å; E194-R198 PolarHBondContact O-N 3.22Å; E194-R198 VanDerWaalsContact O-N 3.14Å; E194-R198 PolarHBondContact O-NH1 3.28Å
195I98.7Very high98.3Very high6 Ų660.5 Ų60.53%0.03129%0.288CS..Hα-helixtrans-62.1-48.5173.9-65.9168.4000110.1W123 L134 L187 L190 K191 Y197 R198 L199W123-I195 HydrophobicContact CH2-CD1 4.46Å; W123-I195 HydrophobicContact CZ2-CB 4.41Å; W123-I195 HydrophobicContact CZ2-CG2 4.15Å; L134-I195 HydrophobicContact CD1-CD1 4.07Å; L134-I195 HydrophobicContact CD2-CD1 4.46Å; L134-I195 HydrophobicContact CD2-CG2 3.98Å; L187-I195 HydrophobicContact CB-CG1 4.41Å; L187-I195 HydrophobicContact CD1-CG2 4.41Å; L187-I195 HydrophobicContact CD2-CG1 4.37Å; L187-I195 VanDerWaalsContact O-CD1 3.29Å; L187-I195 WeakPolarHBondContact O-CD1 3.21Å; L187-I195 WeakPolarHBondContact O-CG1 3.44Å; L190-I195 HydrophobicContact CB-CG1 3.9Å; K191-I195 WeakPolarHBondContact O-CG1 3.45Å; K191-I195 PolarHBondContact O-N 2.9Å; I195-Y197 VanDerWaalsContact C-N 3.34Å; I195-Y197 PolarHBondContact O-N 3.39Å; I195-R198 PolarHBondContact O-N 3.32Å; I195-L199 HydrophobicContact CG2-CD1 3.63Å; I195-L199 HydrophobicContact CG2-CG 4.21Å; I195-L199 WeakPolarHBondContact O-CB 3.45Å; I195-L199 WeakPolarHBondContact O-CG 3.3Å; I195-L199 PolarHBondContact O-N 2.99Å
196R98.4Very high98.4Very high154 Ų15457.6 Ų57.658%0.58127%0.273SS*.Hα-helixtrans-59.7-44.5178.4-82.9-174.9-148.6169.18.4112W123 P192 E193 K200W123-R196 HydrophobicContact CZ2-CG 4.24Å; P192-R196 PolarHBondContact O-N 2.78Å; E193-R196 PolarHBondContact O-N 2.65Å; R196-K200 VanDerWaalsContact O-CB 3.32Å; R196-K200 WeakPolarHBondContact O-CB 3.41Å; R196-K200 PolarHBondContact O-N 3.27Å
197Y98.7Very high98.4Very high112 Ų11256.2 Ų56.244%0.43927%0.267SS..Hα-helixtrans-57.8-52.3179.1178.1-95.7000110.8E193 E194 I195 K200 H201 Y202E193-Y197 PolarHBondContact O-N 2.04Å; E194-Y197 PolarHBondContact O-N 3Å; I195-Y197 VanDerWaalsContact C-N 3.34Å; I195-Y197 PolarHBondContact O-N 3.39Å; Y197-K200 PolarHBondContact O-N 3.09Å; Y197-K200 VanDerWaalsContact O-N 3.16Å; Y197-H201 AromaticContact CD2-CD2 3.42Å; Y197-H201 VanDerWaalsContact CD2-CD2 3.42Å; Y197-H201 WeakPolarHBondContact CD2-CD2 3.26Å; Y197-H201 AromaticContact CD2-NE2 4Å; Y197-H201 AromaticContact CE2-CD2 3.47Å; Y197-H201 VanDerWaalsContact CE2-CD2 3.47Å; Y197-H201 WeakPolarHBondContact CE2-CD2 3.32Å; Y197-H201 AromaticContact CG-CD2 3.99Å; Y197-H201 WeakPolarHBondContact O-CB 3.48Å; Y197-H201 PolarHBondContact O-CD2 3.36Å; Y197-H201 PolarHBondContact O-N 3.43Å; Y197-Y202 HydrophobicContact CD1-CE1 4.47Å; Y197-Y202 HydrophobicContact CE1-CE1 4.02Å
198R98.7Very high98.4Very high27 Ų2756.2 Ų56.210%0.10227%0.267CS..Hα-helixtrans-65.5-45.1-178.3-67.2172.4172.778-7.5112.2D141 L146 L187 E194 I195 K200 H201 Y202D141-R198 VanDerWaalsContact CG-NH2 3.3Å; D141-R198 IonicContact OD1-CZ 2.74Å; D141-R198 VanDerWaalsContact OD1-CZ 3.29Å; D141-R198 IonicContact OD1-NE 2.78Å; D141-R198 PolarHBondContact OD1-NE 3.33Å; D141-R198 IonicContact OD1-NH2 3.62Å; D141-R198 PolarHBondContact OD1-NH2 3.24Å; D141-R198 VanDerWaalsContact OD1-NH2 3.14Å; D141-R198 IonicContact OD2-CZ 3.76Å; D141-R198 IonicContact OD2-NE 3.61Å; D141-R198 IonicContact OD2-NH2 3.67Å; D141-R198 PolarHBondContact OD2-NH2 2.88Å; L146-R198 HydrophobicContact CD1-CB 4.24Å; L146-R198 HydrophobicContact CD2-CB 4.25Å; L187-R198 HydrophobicContact CD2-CB 4.38Å; E194-R198 WeakPolarHBondContact O-CG 3.13Å; E194-R198 PolarHBondContact O-N 3.22Å; E194-R198 VanDerWaalsContact O-N 3.14Å; E194-R198 PolarHBondContact O-NH1 3.28Å; I195-R198 PolarHBondContact O-N 3.32Å; R198-K200 PolarHBondContact O-N 3.41Å; R198-K200 VanDerWaalsContact O-N 3.16Å; R198-H201 PolarHBondContact O-N 2.95Å; R198-Y202 HydrophobicContact CB-CD1 4.47Å; R198-Y202 HydrophobicContact CB-CD2 4.1Å; R198-Y202 HydrophobicContact CB-CE2 4.29Å; R198-Y202 HydrophobicContact CB-CG 4.19Å; R198-Y202 HydrophobicContact CG-CD1 4.44Å; R198-Y202 HydrophobicContact CG-CD2 4.07Å; R198-Y202 HydrophobicContact CG-CE1 4.14Å; R198-Y202 HydrophobicContact CG-CE2 3.74Å; R198-Y202 HydrophobicContact CG-CG 4.4Å; R198-Y202 VanDerWaalsContact O-CB 3.28Å; R198-Y202 WeakPolarHBondContact O-CB 3.35Å; R198-Y202 PolarHBondContact O-N 3.47Å
199L98.5Very high98.4Very high26 Ų2653.6 Ų53.614%0.13625%0.249CC..Hα-helixtrans-59.3-28.6175.9-74.6174.7000112.8V122 L146 L187 I195 K204 V289V122-L199 HydrophobicContact CG1-CD1 4.04Å; V122-L199 HydrophobicContact CG2-CD1 3.65Å; L146-L199 HydrophobicContact CD1-CD2 3.88Å; L146-L199 HydrophobicContact CD1-CG 4.43Å; L187-L199 HydrophobicContact CD1-CD2 3.95Å; L187-L199 HydrophobicContact CD1-CG 4.19Å; I195-L199 HydrophobicContact CG2-CD1 3.63Å; I195-L199 HydrophobicContact CG2-CG 4.21Å; I195-L199 WeakPolarHBondContact O-CB 3.45Å; I195-L199 WeakPolarHBondContact O-CG 3.3Å; I195-L199 PolarHBondContact O-N 2.99Å; L199-K204 HydrophobicContact CD2-CD 4.45Å; L199-K204 VanDerWaalsContact O-CE 3.32Å; L199-K204 WeakPolarHBondContact O-CE 3.46Å; L199-K204 PolarHBondContact O-NZ 3.25Å; L199-V289 HydrophobicContact CD2-CG1 4.21Å
200K98.3Very high98.4Very high161 Ų16150.9 Ų50.970%0.723%0.227SC*.Hα-helixtrans-82.9-39.4177-174.9175177.5-174.80112.8R196 Y197 R198R196-K200 VanDerWaalsContact O-CB 3.32Å; R196-K200 WeakPolarHBondContact O-CB 3.41Å; R196-K200 PolarHBondContact O-N 3.27Å; Y197-K200 PolarHBondContact O-N 3.09Å; Y197-K200 VanDerWaalsContact O-N 3.16Å; R198-K200 PolarHBondContact O-N 3.41Å; R198-K200 VanDerWaalsContact O-N 3.16Å
201H98.5Very high98.4Very high88 Ų8849.5 Ų49.541%0.40722%0.22SC..Hα-helixtrans-110.4-12.9-164-66.3-69.4000115.6Y197 R198Y197-H201 AromaticContact CD2-CD2 3.42Å; Y197-H201 VanDerWaalsContact CD2-CD2 3.42Å; Y197-H201 WeakPolarHBondContact CD2-CD2 3.26Å; Y197-H201 AromaticContact CD2-NE2 4Å; Y197-H201 AromaticContact CE2-CD2 3.47Å; Y197-H201 VanDerWaalsContact CE2-CD2 3.47Å; Y197-H201 WeakPolarHBondContact CE2-CD2 3.32Å; Y197-H201 AromaticContact CG-CD2 3.99Å; Y197-H201 WeakPolarHBondContact O-CB 3.48Å; Y197-H201 PolarHBondContact O-CD2 3.36Å; Y197-H201 PolarHBondContact O-N 3.43Å; R198-H201 PolarHBondContact O-N 2.95Å
202Y98.8Very high98.4Very high19 Ų1943.3 Ų43.38%0.07519%0.193CC..SBendtrans-98.3152.5-175.1-74.820.8000111.5V139 D141 R144 L146 Y197 R198 K204V139-Y202 HydrophobicContact CG1-CE2 4.2Å; D141-Y202 WeakPolarHBondContact OD1-CE2 3.37Å; D141-Y202 VanDerWaalsContact OD1-CZ 3.24Å; D141-Y202 PolarHBondContact OD1-OH 2.73Å; R144-Y202 VanDerWaalsContact C-CD2 3.45Å; R144-Y202 HydrophobicContact CB-CD1 4.04Å; R144-Y202 HydrophobicContact CB-CD2 4.49Å; R144-Y202 HydrophobicContact CB-CE1 4.08Å; R144-Y202 HydrophobicContact CB-CG 4.26Å; R144-Y202 HydrophobicContact CG-CE1 4.16Å; R144-Y202 VanDerWaalsContact O-CA 3.3Å; R144-Y202 WeakPolarHBondContact O-CA 3.35Å; R144-Y202 VanDerWaalsContact O-CB 3.23Å; R144-Y202 WeakPolarHBondContact O-CB 3.33Å; L146-Y202 HydrophobicContact CD2-CD2 4.14Å; L146-Y202 HydrophobicContact CG-CD2 4.19Å; Y197-Y202 HydrophobicContact CD1-CE1 4.47Å; Y197-Y202 HydrophobicContact CE1-CE1 4.02Å; R198-Y202 HydrophobicContact CB-CD1 4.47Å; R198-Y202 HydrophobicContact CB-CD2 4.1Å; R198-Y202 HydrophobicContact CB-CE2 4.29Å; R198-Y202 HydrophobicContact CB-CG 4.19Å; R198-Y202 HydrophobicContact CG-CD1 4.44Å; R198-Y202 HydrophobicContact CG-CD2 4.07Å; R198-Y202 HydrophobicContact CG-CE1 4.14Å; R198-Y202 HydrophobicContact CG-CE2 3.74Å; R198-Y202 HydrophobicContact CG-CG 4.4Å; R198-Y202 VanDerWaalsContact O-CB 3.28Å; R198-Y202 WeakPolarHBondContact O-CB 3.35Å; R198-Y202 PolarHBondContact O-N 3.47Å; Y202-K204 WeakPolarHBondContact O-CE 3.26Å; Y202-K204 PolarHBondContact O-N 3.15Å
203F98.8Very high98.4Very high26 Ų2641.9 Ų41.911%0.11418%0.181CC..EExtended strand (participates in β ladder)trans-68.8120.9170.5177.9-103.6000109.6R144 F145 L146 F205 N292 F293 V307 R310 I311R144-F203 PolarHBondContact O-N 3.2Å; F145-F203 CarbonylContact C-O 3.59Å; F145-F203 WeakPolarHBondContact CA-O 3.04Å; F145-F203 HydrophobicContact CB-CB 4.31Å; F145-F203 HydrophobicContact CB-CD1 4.36Å; F145-F203 WeakPolarHBondContact CB-O 3.24Å; L146-F203 PolarHBondContact N-O 3.45Å; F203-F205 AromaticContact CD1-CD1 3.85Å; F203-F205 HydrophobicContact CD1-CD1 3.85Å; F203-F205 HydrophobicContact CE1-CB 3.92Å; F203-F205 AromaticContact CE1-CD1 3.66Å; F203-F205 HydrophobicContact CE1-CD1 3.66Å; F203-F205 HydrophobicContact CE1-CG 4.11Å; F203-F205 HydrophobicContact CZ-CB 4.39Å; F203-N292 HydrophobicContact CD2-CB 3.52Å; F203-N292 HydrophobicContact CE2-CB 3.37Å; F203-N292 HydrophobicContact CG-CB 4.49Å; F203-N292 HydrophobicContact CZ-CB 4.26Å; F203-F293 HydrophobicContact CE2-CB 4.39Å; F203-F293 HydrophobicContact CZ-CB 3.75Å; F203-V307 HydrophobicContact CE1-CG1 4.31Å; F203-R310 HydrophobicContact CD2-CG 4.02Å; F203-R310 HydrophobicContact CE1-CG 4.2Å; F203-R310 HydrophobicContact CE2-CG 3.59Å; F203-R310 HydrophobicContact CG-CG 4.48Å; F203-R310 HydrophobicContact CZ-CB 4.35Å; F203-R310 HydrophobicContact CZ-CG 3.7Å; F203-I311 HydrophobicContact CD1-CG2 3.71Å; F203-I311 HydrophobicContact CE1-CG2 4.21Å
204K98.8Very high98.4Very high19 Ų1936.6 Ų36.68%0.08316%0.156CC..EExtended strand (participates in β ladder)trans-106.7128.4-177.6-73.4150.6-75.7173.10110.5L146 L199 Y202 V289 S290 Y291 N292 F293L146-K204 HydrophobicContact CB-CG 3.75Å; L146-K204 HydrophobicContact CD1-CD 4.21Å; L146-K204 HydrophobicContact CD1-CG 3.73Å; L146-K204 HydrophobicContact CG-CG 4.18Å; L146-K204 WeakPolarHBondContact O-CA 3.05Å; L199-K204 HydrophobicContact CD2-CD 4.45Å; L199-K204 VanDerWaalsContact O-CE 3.32Å; L199-K204 WeakPolarHBondContact O-CE 3.46Å; L199-K204 PolarHBondContact O-NZ 3.25Å; Y202-K204 WeakPolarHBondContact O-CE 3.26Å; Y202-K204 PolarHBondContact O-N 3.15Å; K204-V289 HydrophobicContact CD-CG1 4.21Å; K204-S290 WeakPolarHBondContact CD-O 3.24Å; K204-S290 VanDerWaalsContact CE-O 3.24Å; K204-S290 WeakPolarHBondContact CE-O 3.38Å; K204-S290 PolarHBondContact NZ-O 3.41Å; K204-Y291 HydrophobicContact CB-CD1 4.03Å; K204-N292 PolarHBondContact N-OD1 3.49Å; K204-N292 WeakPolarHBondContact O-CA 3.39Å; K204-N292 WeakPolarHBondContact O-CB 3.42Å; K204-N292 PolarHBondContact O-N 3.05Å; K204-F293 PolarHBondContact O-N 3.47Å
205F98.8Very high98.4Very high0 Ų033.4 Ų33.40%014%0.141CC..EExtended strand (participates in β ladder)trans-139.5161.1172.570.7-85.1000112.9F145 L146 Y147 C148 W158 F203 F207 F293 V307F145-F205 HydrophobicContact CB-CE1 4.37Å; F145-F205 HydrophobicContact CD2-CD1 4.49Å; F145-F205 AromaticContact CD2-CE1 3.54Å; F145-F205 HydrophobicContact CD2-CE1 3.54Å; F145-F205 HydrophobicContact CD2-CZ 4.23Å; F145-F205 HydrophobicContact CE2-CE1 4.04Å; F145-F205 HydrophobicContact CE2-CZ 4.28Å; F145-F205 HydrophobicContact CG-CE1 4.09Å; L146-F205 PolarHBondContact O-N 3.44Å; Y147-F205 WeakPolarHBondContact CA-O 3.42Å; Y147-F205 AromaticContact CD2-CD2 3.7Å; Y147-F205 HydrophobicContact CD2-CD2 3.7Å; Y147-F205 AromaticContact CD2-CE2 3.29Å; Y147-F205 HydrophobicContact CD2-CE2 3.29Å; Y147-F205 AromaticContact CD2-CZ 3.87Å; Y147-F205 HydrophobicContact CD2-CZ 3.87Å; Y147-F205 HydrophobicContact CE2-CD2 4.34Å; Y147-F205 AromaticContact CE2-CE2 3.96Å; Y147-F205 HydrophobicContact CE2-CE2 3.96Å; Y147-F205 AromaticContact CG-CE2 3.81Å; Y147-F205 HydrophobicContact CG-CE2 3.81Å; Y147-F205 AromaticContact CG-CZ 3.9Å; Y147-F205 HydrophobicContact CG-CZ 3.9Å; C148-F205 PolarHBondContact N-O 3.31Å; W158-F205 AromaticContact CD2-CE2 3.95Å; W158-F205 HydrophobicContact CD2-CE2 3.95Å; W158-F205 HydrophobicContact CD2-CZ 4.35Å; W158-F205 AromaticContact CE2-CE2 3.97Å; W158-F205 AromaticContact CE3-CE2 3.87Å; W158-F205 HydrophobicContact CE3-CE2 3.87Å; W158-F205 AromaticContact CE3-CZ 3.81Å; W158-F205 HydrophobicContact CE3-CZ 3.81Å; W158-F205 AromaticContact CH2-CE2 3.95Å; W158-F205 HydrophobicContact CH2-CE2 3.95Å; W158-F205 HydrophobicContact CH2-CZ 4.14Å; W158-F205 AromaticContact CZ2-CE2 3.99Å; W158-F205 HydrophobicContact CZ2-CE2 3.99Å; W158-F205 AromaticContact CZ3-CE2 3.87Å; W158-F205 HydrophobicContact CZ3-CE2 3.87Å; W158-F205 AromaticContact CZ3-CZ 3.69Å; W158-F205 HydrophobicContact CZ3-CZ 3.69Å; F203-F205 AromaticContact CD1-CD1 3.85Å; F203-F205 HydrophobicContact CD1-CD1 3.85Å; F203-F205 HydrophobicContact CE1-CB 3.92Å; F203-F205 AromaticContact CE1-CD1 3.66Å; F203-F205 HydrophobicContact CE1-CD1 3.66Å; F203-F205 HydrophobicContact CE1-CG 4.11Å; F203-F205 HydrophobicContact CZ-CB 4.39Å; F205-F207 HydrophobicContact CD2-CD2 4.06Å; F205-F207 AromaticContact CD2-CE2 3.7Å; F205-F207 HydrophobicContact CD2-CE2 3.7Å; F205-F207 HydrophobicContact CE2-CD2 4.31Å; F205-F207 AromaticContact CE2-CE2 3.9Å; F205-F207 HydrophobicContact CE2-CE2 3.9Å; F205-F293 WeakPolarHBondContact CA-O 3.45Å; F205-F293 HydrophobicContact CB-CB 4.14Å; F205-F293 HydrophobicContact CB-CD1 4.44Å; F205-F293 WeakPolarHBondContact CB-O 3.36Å; F205-V307 HydrophobicContact CB-CG2 4.48Å; F205-V307 HydrophobicContact CD1-CG1 3.87Å; F205-V307 HydrophobicContact CD2-CG1 4.03Å; F205-V307 HydrophobicContact CD2-CG2 4.18Å; F205-V307 HydrophobicContact CE1-CG1 3.65Å; F205-V307 HydrophobicContact CE2-CG1 3.84Å; F205-V307 HydrophobicContact CG-CG1 4.04Å; F205-V307 HydrophobicContact CG-CG2 4.25Å; F205-V307 HydrophobicContact CZ-CG1 3.64Å
206M98.6Very high98.3Very high0 Ų033.2 Ų33.20%014%0.14CC..EExtended strand (participates in β ladder)trans-147.5163.9171.363.5178.7-67.200109.6C148 V150 V208 I280 C284 Y291 F293 I294 G295 F360C148-M206 HydrophobicContact CB-CB 4.09Å; V150-M206 HydrophobicContact CG2-CE 4.1Å; M206-V208 HydrophobicContact CE-CG1 3.82Å; M206-I280 HydrophobicContact CE-CG2 3.45Å; M206-I280 VanDerWaalsContact CE-CG2 3.45Å; M206-C284 HydrophobicContact CE-CB 3.56Å; M206-C284 HydrophobicContact SD-CB 3.82Å; M206-Y291 HydrophobicContact CB-CD1 4.16Å; M206-Y291 HydrophobicContact CB-CE1 4Å; M206-Y291 HydrophobicContact CG-CD1 3.99Å; M206-Y291 HydrophobicContact CG-CD2 4.38Å; M206-Y291 HydrophobicContact CG-CE1 4.13Å; M206-Y291 HydrophobicContact CG-CG 4.14Å; M206-Y291 HydrophobicContact SD-CD1 4.32Å; M206-Y291 HydrophobicContact SD-CD2 3.79Å; M206-Y291 HydrophobicContact SD-CE1 4.18Å; M206-Y291 HydrophobicContact SD-CE2 3.62Å; M206-Y291 HydrophobicContact SD-CG 4.16Å; M206-F293 PolarHBondContact N-O 3.33Å; M206-I294 HydrophobicContact CG-CB 4.42Å; M206-I294 HydrophobicContact CG-CG1 3.92Å; M206-I294 HydrophobicContact CG-CG2 4.11Å; M206-I294 CarbonylContact O-C 3.56Å; M206-I294 WeakPolarHBondContact O-CA 3.32Å; M206-I294 HydrophobicContact SD-CG1 4.47Å; M206-G295 PolarHBondContact O-N 3.48Å; M206-F360 HydrophobicContact CE-CE1 4.37Å; M206-F360 HydrophobicContact CE-CZ 4.03Å
207F98.5Very high98.3Very high0 Ų026.1 Ų26.10%011%0.114CC..EExtended strand (participates in β ladder)trans-118.1142.6171.9-77.3-105.6000109.8Y147 V153 W158 F205 F293 G295 L300 D303 V307Y147-F207 HydrophobicContact CE2-CD2 4.34Å; V153-F207 HydrophobicContact CG1-CB 3.61Å; W158-F207 AromaticContact CE2-CD2 3.88Å; W158-F207 AromaticContact CE2-CE2 3.36Å; W158-F207 AromaticContact CE2-CZ 3.87Å; W158-F207 HydrophobicContact CH2-CE2 4.3Å; W158-F207 HydrophobicContact CZ2-CD2 4.2Å; W158-F207 HydrophobicContact CZ2-CE1 4.5Å; W158-F207 AromaticContact CZ2-CE2 3.23Å; W158-F207 HydrophobicContact CZ2-CE2 3.23Å; W158-F207 AromaticContact CZ2-CZ 3.44Å; W158-F207 HydrophobicContact CZ2-CZ 3.44Å; W158-F207 VanDerWaalsContact CZ2-CZ 3.44Å; W158-F207 AromaticContact NE1-CD2 3.32Å; W158-F207 VanDerWaalsContact NE1-CD2 3.32Å; W158-F207 AromaticContact NE1-CE2 3.26Å; W158-F207 VanDerWaalsContact NE1-CE2 3.26Å; W158-F207 AromaticContact NE1-CG 3.91Å; W158-F207 AromaticContact NE1-CZ 3.77Å; F205-F207 HydrophobicContact CD2-CD2 4.06Å; F205-F207 AromaticContact CD2-CE2 3.7Å; F205-F207 HydrophobicContact CD2-CE2 3.7Å; F205-F207 HydrophobicContact CE2-CD2 4.31Å; F205-F207 AromaticContact CE2-CE2 3.9Å; F205-F207 HydrophobicContact CE2-CE2 3.9Å; F207-F293 HydrophobicContact CZ-CE1 4.33Å; F207-G295 CarbonylContact C-O 3.58Å; F207-G295 VanDerWaalsContact CA-O 3.31Å; F207-G295 WeakPolarHBondContact CA-O 3.29Å; F207-L300 HydrophobicContact CD1-CD2 3.77Å; F207-L300 HydrophobicContact CE1-CD2 3.99Å; F207-D303 HydrophobicContact CE1-CB 3.62Å; F207-D303 HydrophobicContact CZ-CB 4.12Å; F207-V307 HydrophobicContact CE2-CG2 4.31Å; F207-V307 HydrophobicContact CZ-CG2 4.29Å
208V98.3Very high98.2Very high0 Ų020.8 Ų20.80%09%0.093CC..EExtended strand (participates in β ladder)trans-117.6163.3178.7-630000110.7V153 M206 I280 I294 G295 S296 Y297 F360 Y362V153-V208 WeakPolarHBondContact CG1-O 3.48Å; M206-V208 HydrophobicContact CE-CG1 3.82Å; V208-I280 HydrophobicContact CB-CD1 4.32Å; V208-I280 HydrophobicContact CG1-CG2 4.15Å; V208-I294 HydrophobicContact CG1-CG2 3.71Å; V208-I294 HydrophobicContact CG2-CG2 4Å; V208-G295 VanDerWaalsContact CG2-O 3.25Å; V208-G295 WeakPolarHBondContact CG2-O 3.24Å; V208-G295 PolarHBondContact N-O 3.33Å; V208-S296 CarbonylContact O-C 3.42Å; V208-S296 WeakPolarHBondContact O-CA 3.4Å; V208-Y297 PolarHBondContact O-N 3.49Å; V208-F360 HydrophobicContact CB-CB 4.32Å; V208-F360 HydrophobicContact CB-CD1 4.44Å; V208-F360 HydrophobicContact CB-CD2 4.31Å; V208-F360 HydrophobicContact CB-CG 4.1Å; V208-F360 HydrophobicContact CG1-CB 4.33Å; V208-F360 HydrophobicContact CG1-CD1 3.58Å; V208-F360 HydrophobicContact CG1-CD2 3.81Å; V208-F360 HydrophobicContact CG1-CE1 3.71Å; V208-F360 HydrophobicContact CG1-CE2 3.97Å; V208-F360 HydrophobicContact CG1-CG 3.63Å; V208-F360 HydrophobicContact CG1-CZ 3.9Å; V208-F360 HydrophobicContact CG2-CB 4.13Å; V208-F360 HydrophobicContact CG2-CG 4.31Å; V208-Y362 HydrophobicContact CB-CE2 4.21Å; V208-Y362 HydrophobicContact CG2-CE2 4.02Å; V208-Y362 WeakPolarHBondContact CG2-OH 3.47Å; V208-Y362 PolarHBondContact O-OH 3.02Å
209R97.8Very high98.2Very high2 Ų220.8 Ų20.81%0.0089%0.093CC..  trans-143.4154.9175.1-177.1172.1-177.6165.76.3109K152 V153 E213 R214 Y297 Y362K152-R209 PolarHBondContact O-NH1 3.31Å; V153-R209 HydrophobicContact CG1-CB 4.19Å; V153-R209 HydrophobicContact CG2-CB 3.81Å; R209-E213 HydrophobicContact CG-CB 4.45Å; R209-E213 IonicContact CZ-OE2 3.82Å; R209-E213 IonicContact NE-OE2 3.29Å; R209-E213 PolarHBondContact NE-OE2 2.7Å; R209-E213 VanDerWaalsContact NE-OE2 3.16Å; R209-E213 IonicContact NH2-OE2 2.88Å; R209-E213 PolarHBondContact NH2-OE2 3.46Å; R209-R214 HydrophobicContact CB-CB 4.3Å; R209-R214 HydrophobicContact CG-CB 4.35Å; R209-Y297 HydrophobicContact CB-CG 4.37Å; R209-Y297 HydrophobicContact CG-CD1 4.23Å; R209-Y297 HydrophobicContact CG-CG 4.03Å; R209-Y362 VanDerWaalsContact C-CE2 3.5Å; R209-Y362 VanDerWaalsContact C-OH 3.31Å; R209-Y362 WeakPolarHBondContact CA-OH 3.37Å; R209-Y362 PolarHBondContact N-OH 2.96Å; R209-Y362 WeakPolarHBondContact O-CE2 3.28Å
210E97.6Very high98.1Very high23 Ų2322.9 Ų22.911%0.10710%0.1CC..  trans-46.6124.3170.1-162.8-72.3130.400110.4M212 E213 R214 E298 F357 Y362E210-M212 PolarHBondContact O-N 2.92Å; E210-M212 PolarHBondContact OE1-N 3.09Å; E210-M212 WeakPolarHBondContact OE2-CA 3.43Å; E210-M212 WeakPolarHBondContact OE2-CB 3.39Å; E210-M212 PolarHBondContact OE2-N 3.09Å; E210-E213 HydrophobicContact CB-CB 4.29Å; E210-E213 HydrophobicContact CB-CG 4.24Å; E210-E213 PolarHBondContact O-N 2.59Å; E210-E213 PolarHBondContact OE2-N 3.29Å; E210-R214 WeakPolarHBondContact O-CB 3.42Å; E210-R214 PolarHBondContact O-N 3.19Å; E210-E298 PolarHBondContact N-OE1 3.32Å; E210-F357 VanDerWaalsContact OE1-CE1 3.22Å; E210-F357 WeakPolarHBondContact OE1-CE1 3.12Å; E210-Y362 HydrophobicContact CB-CD1 3.89Å; E210-Y362 HydrophobicContact CB-CE1 3.97Å; E210-Y362 HydrophobicContact CG-CD1 4.05Å; E210-Y362 HydrophobicContact CG-CG 4.48Å; E210-Y362 VanDerWaalsContact N-CZ 3.27Å
211P98.1Very high98Very high0 Ų016.4 Ų16.40%07%0.072CC..Hα-helixtrans-58.5-39.3-168.4-29.736.4000114.9L215 D356 F357 Y362P211-L215 WeakPolarHBondContact O-CB 3.3Å; P211-L215 PolarHBondContact O-N 3.1Å; P211-D356 HydrophobicContact CB-CB 4.34Å; P211-D356 HydrophobicContact CG-CB 3.68Å; P211-F357 HydrophobicContact CB-CD2 4.37Å; P211-F357 HydrophobicContact CB-CE1 4.15Å; P211-F357 HydrophobicContact CB-CE2 3.85Å; P211-F357 HydrophobicContact CB-CZ 3.74Å; P211-F357 HydrophobicContact CG-CD1 3.87Å; P211-F357 HydrophobicContact CG-CD2 4.03Å; P211-F357 HydrophobicContact CG-CE1 3.79Å; P211-F357 HydrophobicContact CG-CE2 3.96Å; P211-F357 HydrophobicContact CG-CG 3.99Å; P211-F357 HydrophobicContact CG-CZ 3.85Å; P211-Y362 HydrophobicContact CG-CD2 4.48Å
212M97.9Very high97.9Very high2 Ų213 Ų131%0.016%0.057CC..Hα-helixtrans-76.3-36.2-178.3-62-61.495.500112.5E210 R214 L215 L216 L334 L338 L349 L350 Y353 F357 P365E210-M212 PolarHBondContact O-N 2.92Å; E210-M212 PolarHBondContact OE1-N 3.09Å; E210-M212 WeakPolarHBondContact OE2-CA 3.43Å; E210-M212 WeakPolarHBondContact OE2-CB 3.39Å; E210-M212 PolarHBondContact OE2-N 3.09Å; M212-R214 VanDerWaalsContact C-N 3.34Å; M212-L215 HydrophobicContact CE-CD2 4.27Å; M212-L215 PolarHBondContact O-N 3.3Å; M212-L216 VanDerWaalsContact O-CB 3.32Å; M212-L216 WeakPolarHBondContact O-CB 3.34Å; M212-L216 PolarHBondContact O-N 2.93Å; M212-L334 HydrophobicContact CB-CD1 3.89Å; M212-L338 HydrophobicContact CB-CD1 4.2Å; M212-L338 HydrophobicContact CB-CD2 4.32Å; M212-L338 HydrophobicContact CG-CD1 4.34Å; M212-L338 HydrophobicContact CG-CD2 4.28Å; M212-L338 HydrophobicContact SD-CD2 4.34Å; M212-L349 HydrophobicContact SD-CD2 4.17Å; M212-L350 HydrophobicContact SD-CD2 4.15Å; M212-Y353 HydrophobicContact CE-CD2 4.01Å; M212-Y353 HydrophobicContact CE-CG 4.13Å; M212-F357 HydrophobicContact CE-CE2 4.18Å; M212-F357 HydrophobicContact CE-CZ 4.09Å; M212-F357 HydrophobicContact CG-CZ 4.02Å; M212-P365 HydrophobicContact CG-CG 4.21Å
213E97.9Very high97.7Very high36 Ų3612.4 Ų12.417%0.1686%0.055CC..Hα-helixtrans-61-44.9170.5-75.2-160.8-175.400111.4R209 E210 L215 L216 S217 V329 L334R209-E213 HydrophobicContact CG-CB 4.45Å; R209-E213 IonicContact CZ-OE2 3.82Å; R209-E213 IonicContact NE-OE2 3.29Å; R209-E213 PolarHBondContact NE-OE2 2.7Å; R209-E213 VanDerWaalsContact NE-OE2 3.16Å; R209-E213 IonicContact NH2-OE2 2.88Å; R209-E213 PolarHBondContact NH2-OE2 3.46Å; E210-E213 HydrophobicContact CB-CB 4.29Å; E210-E213 HydrophobicContact CB-CG 4.24Å; E210-E213 PolarHBondContact O-N 2.59Å; E210-E213 PolarHBondContact OE2-N 3.29Å; E213-L215 VanDerWaalsContact C-N 3.3Å; E213-L215 PolarHBondContact O-N 2.93Å; E213-L216 PolarHBondContact O-N 3Å; E213-S217 VanDerWaalsContact O-CB 3.3Å; E213-S217 WeakPolarHBondContact O-CB 3.37Å; E213-S217 PolarHBondContact O-N 3.1Å; E213-V329 HydrophobicContact CG-CG1 4.26Å; E213-L334 HydrophobicContact CG-CD2 3.71Å
214R98.2Very high97.4Very high0 Ų013.9 Ų13.90%08%0.077CC..Hα-helixtrans-59.2-46.7176.7-170.4-167.8146.7-94.55.3110.2P151 K152 V153 R209 E210 M212 S217 A218 E275 H276 M278P151-R214 PolarHBondContact O-NE 3.17Å; K152-R214 HydrophobicContact CB-CG 3.82Å; V153-R214 HydrophobicContact CG2-CG 4.38Å; R209-R214 HydrophobicContact CB-CB 4.3Å; R209-R214 HydrophobicContact CG-CB 4.35Å; E210-R214 WeakPolarHBondContact O-CB 3.42Å; E210-R214 PolarHBondContact O-N 3.19Å; M212-R214 VanDerWaalsContact C-N 3.34Å; R214-S217 WeakPolarHBondContact O-CB 3.4Å; R214-S217 PolarHBondContact O-N 3.07Å; R214-A218 PolarHBondContact O-N 3.33Å; R214-E275 PolarHBondContact NH2-O 3.43Å; R214-H276 PolarHBondContact NH2-O 2.84Å; R214-M278 VanDerWaalsContact CZ-O 3.23Å; R214-M278 PolarHBondContact NH1-O 3.11Å; R214-M278 VanDerWaalsContact NH1-O 3.11Å; R214-M278 PolarHBondContact NH2-O 3.1Å
215L98.2Very high97.1Very high1 Ų117.9 Ų17.91%0.00510%0.096CC..Hα-helixtrans-63.8-44.8179.9-171.361.3000112.3P211 M212 E213 S217 A218 Y219 F261 L265 W277 L349 Y353P211-L215 WeakPolarHBondContact O-CB 3.3Å; P211-L215 PolarHBondContact O-N 3.1Å; M212-L215 HydrophobicContact CE-CD2 4.27Å; M212-L215 PolarHBondContact O-N 3.3Å; E213-L215 VanDerWaalsContact C-N 3.3Å; E213-L215 PolarHBondContact O-N 2.93Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 2.77Å; L215-A218 WeakPolarHBondContact O-CB 3.34Å; L215-A218 PolarHBondContact O-N 3.33Å; L215-A218 VanDerWaalsContact O-N 3.15Å; L215-Y219 PolarHBondContact O-N 3.22Å; L215-F261 HydrophobicContact CD1-CE1 3.85Å; L215-F261 HydrophobicContact CD1-CZ 4.04Å; L215-F261 HydrophobicContact CG-CE1 4.12Å; L215-L265 HydrophobicContact CD1-CD1 3.7Å; L215-L265 HydrophobicContact CD2-CD1 3.96Å; L215-L265 HydrophobicContact CG-CD1 4.31Å; L215-W277 HydrophobicContact CD1-CB 3.58Å; L215-L349 HydrophobicContact CD2-CD1 4.34Å; L215-L349 HydrophobicContact CD2-CD2 3.92Å; L215-Y353 WeakPolarHBondContact CD1-OH 3.44Å; L215-Y353 HydrophobicContact CD2-CE2 4.16Å
216L97.9Very high96.8Very high1 Ų120.3 Ų20.31%0.00511%0.108CC..Hα-helixtrans-66-36.4177.2-17855.9000111.7M212 E213 A218 Y219 R220 F258 V329 T333 L334 Y337M212-L216 VanDerWaalsContact O-CB 3.32Å; M212-L216 WeakPolarHBondContact O-CB 3.34Å; M212-L216 PolarHBondContact O-N 2.93Å; E213-L216 PolarHBondContact O-N 3Å; L216-A218 VanDerWaalsContact C-N 3.31Å; L216-A218 PolarHBondContact O-N 3.49Å; L216-Y219 HydrophobicContact CD1-CD1 4.04Å; L216-Y219 PolarHBondContact O-N 3.35Å; L216-R220 HydrophobicContact CD1-CG 4Å; L216-R220 HydrophobicContact CG-CG 4.43Å; L216-R220 WeakPolarHBondContact O-CB 3.46Å; L216-R220 WeakPolarHBondContact O-CG 3.5Å; L216-R220 PolarHBondContact O-N 3.46Å; L216-F258 HydrophobicContact CD1-CD2 4.31Å; L216-F258 HydrophobicContact CD1-CE2 4.21Å; L216-V329 HydrophobicContact CB-CG2 4.26Å; L216-V329 HydrophobicContact CD2-CG1 3.77Å; L216-V329 HydrophobicContact CD2-CG2 4.36Å; L216-V329 HydrophobicContact CG-CG1 4.33Å; L216-V329 HydrophobicContact CG-CG2 4.05Å; L216-T333 HydrophobicContact CD2-CG2 4.31Å; L216-L334 HydrophobicContact CB-CD1 4.43Å; L216-L334 HydrophobicContact CD2-CB 4.32Å; L216-L334 HydrophobicContact CD2-CD1 3.91Å; L216-Y337 HydrophobicContact CD1-CD1 4.04Å; L216-Y337 HydrophobicContact CD1-CD2 3.62Å; L216-Y337 HydrophobicContact CD1-CE1 4.34Å; L216-Y337 HydrophobicContact CD1-CE2 3.96Å; L216-Y337 HydrophobicContact CD1-CG 3.66Å; L216-Y337 HydrophobicContact CD2-CD2 3.72Å; L216-Y337 HydrophobicContact CD2-CE2 4.5Å; L216-Y337 HydrophobicContact CD2-CG 4.11Å; L216-Y337 HydrophobicContact CG-CD2 4.29Å
217S97.3Very high96.7Very high6 Ų625.9 Ų25.94%0.04213%0.134CC..Hα-helixtrans-63.8-37172.6-170.90000112K152 E213 R214 L215 N221 Y326K152-S217 WeakPolarHBondContact CE-O 3.48Å; E213-S217 VanDerWaalsContact O-CB 3.3Å; E213-S217 WeakPolarHBondContact O-CB 3.37Å; E213-S217 PolarHBondContact O-N 3.1Å; R214-S217 WeakPolarHBondContact O-CB 3.4Å; R214-S217 PolarHBondContact O-N 3.07Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 2.77Å; S217-N221 WeakPolarHBondContact O-CB 3.32Å; S217-N221 PolarHBondContact O-N 3.05Å; S217-Y326 PolarHBondContact OG-OH 3.3Å
218A97.7Very high96.5Very high0 Ų029.8 Ų29.80%016%0.161CC..Hα-helixtrans-63.4-52.5172.700000111.3K152 R214 L215 L216 N221 K222 H276K152-A218 HydrophobicContact CG-CB 4.18Å; R214-A218 PolarHBondContact O-N 3.33Å; L215-A218 WeakPolarHBondContact O-CB 3.34Å; L215-A218 PolarHBondContact O-N 3.33Å; L215-A218 VanDerWaalsContact O-N 3.15Å; L216-A218 VanDerWaalsContact C-N 3.31Å; L216-A218 PolarHBondContact O-N 3.49Å; A218-N221 PolarHBondContact O-N 2.85Å; A218-K222 WeakPolarHBondContact O-CB 3.3Å; A218-K222 VanDerWaalsContact O-CG 3.3Å; A218-K222 WeakPolarHBondContact O-CG 3.46Å; A218-K222 PolarHBondContact O-N 2.7Å; A218-H276 HydrophobicContact CB-CB 4.32Å; A218-H276 WeakPolarHBondContact CB-O 3.19Å
219Y97.9Very high96.5Very high26 Ų2631.7 Ų31.710%0.10217%0.169CC..Hα-helixtrans-55.4-56.1179.1169.1-105.2000112.1L215 L216 N221 K222 F223 V256 T257 F258 F261 Y337L215-Y219 PolarHBondContact O-N 3.22Å; L216-Y219 HydrophobicContact CD1-CD1 4.04Å; L216-Y219 PolarHBondContact O-N 3.35Å; Y219-N221 VanDerWaalsContact C-N 3.31Å; Y219-N221 PolarHBondContact O-N 3.08Å; Y219-K222 PolarHBondContact O-N 3.22Å; Y219-F223 HydrophobicContact CD2-CB 4.38Å; Y219-F223 AromaticContact CD2-CD2 3.45Å; Y219-F223 HydrophobicContact CD2-CD2 3.45Å; Y219-F223 VanDerWaalsContact CD2-CD2 3.45Å; Y219-F223 HydrophobicContact CD2-CE2 4.12Å; Y219-F223 HydrophobicContact CD2-CG 4.24Å; Y219-F223 HydrophobicContact CE2-CB 4.17Å; Y219-F223 AromaticContact CE2-CD2 3.92Å; Y219-F223 HydrophobicContact CE2-CD2 3.92Å; Y219-F223 HydrophobicContact CE2-CG 4.28Å; Y219-F223 HydrophobicContact CG-CD2 4.32Å; Y219-F223 WeakPolarHBondContact O-CD2 3.49Å; Y219-F223 PolarHBondContact O-N 2.86Å; Y219-V256 HydrophobicContact CE2-CG1 4.36Å; Y219-V256 WeakPolarHBondContact CE2-O 3.35Å; Y219-V256 PolarHBondContact OH-O 2.85Å; Y219-T257 VanDerWaalsContact OH-C 3.26Å; Y219-T257 WeakPolarHBondContact OH-CA 3.47Å; Y219-F258 HydrophobicContact CD1-CB 4.31Å; Y219-F258 AromaticContact CD1-CD2 3.72Å; Y219-F258 HydrophobicContact CD1-CD2 3.72Å; Y219-F258 HydrophobicContact CD1-CG 4.43Å; Y219-F258 HydrophobicContact CD2-CD2 4.19Å; Y219-F258 HydrophobicContact CE1-CB 3.86Å; Y219-F258 HydrophobicContact CE1-CD2 4.15Å; Y219-F258 HydrophobicContact CE1-CG 4.45Å; Y219-F258 HydrophobicContact CE2-CB 4.42Å; Y219-F258 AromaticContact CG-CD2 3.75Å; Y219-F258 HydrophobicContact CG-CD2 3.75Å; Y219-F258 HydrophobicContact CG-CE2 4.44Å; Y219-F258 PolarHBondContact OH-N 3.34Å; Y219-F261 HydrophobicContact CD2-CB 3.7Å; Y219-F261 AromaticContact CD2-CD1 3.67Å; Y219-F261 HydrophobicContact CD2-CD1 3.67Å; Y219-F261 HydrophobicContact CD2-CE1 4.44Å; Y219-F261 AromaticContact CD2-CG 3.73Å; Y219-F261 HydrophobicContact CD2-CG 3.73Å; Y219-F261 HydrophobicContact CE2-CB 3.98Å; Y219-F261 HydrophobicContact CE2-CG 4.5Å; Y219-F261 HydrophobicContact CG-CD1 4.02Å; Y219-Y337 AromaticContact CE1-CE1 3.94Å; Y219-Y337 HydrophobicContact CE1-CE1 3.94Å
220R96.7Very high96.4Very high71 Ų7132.8 Ų32.827%0.26817%0.174SC..Hα-helixtrans-59.8-40.6-176.2-70.3177.368-158.92.3112.4L216 G224 P328L216-R220 HydrophobicContact CD1-CG 4Å; L216-R220 HydrophobicContact CG-CG 4.43Å; L216-R220 WeakPolarHBondContact O-CB 3.46Å; L216-R220 WeakPolarHBondContact O-CG 3.5Å; L216-R220 PolarHBondContact O-N 3.46Å; R220-G224 WeakPolarHBondContact O-CA 3.39Å; R220-G224 PolarHBondContact O-N 3.3Å; R220-P328 PolarHBondContact NH1-O 3.04Å
221N94.8Very high96.3Very high24 Ų2438 Ų3813%0.12820%0.196CC..Hα-helixtrans-71.1-49.9176.8173.6-118.8000111.7K152 S217 A218 Y219 F223 E225 I226K152-N221 PolarHBondContact NZ-OD1 2.98Å; S217-N221 WeakPolarHBondContact O-CB 3.32Å; S217-N221 PolarHBondContact O-N 3.05Å; A218-N221 PolarHBondContact O-N 2.85Å; Y219-N221 VanDerWaalsContact C-N 3.31Å; Y219-N221 PolarHBondContact O-N 3.08Å; N221-F223 PolarHBondContact O-N 3.32Å; N221-E225 PolarHBondContact ND2-OE2 2.82Å; N221-E225 WeakPolarHBondContact O-CB 3.41Å; N221-E225 PolarHBondContact O-N 3.23Å; N221-I226 WeakPolarHBondContact O-CG1 3.25Å; N221-I226 PolarHBondContact O-N 2.82Å
222K96.5Very high96.2Very high17 Ų1744.2 Ų44.27%0.07422%0.224CC..Hα-helixtrans-72-32.2-171.9-64.3-46.8-172.1170.50113.9A218 Y219 I226 Y229 H276 W277A218-K222 WeakPolarHBondContact O-CB 3.3Å; A218-K222 VanDerWaalsContact O-CG 3.3Å; A218-K222 WeakPolarHBondContact O-CG 3.46Å; A218-K222 PolarHBondContact O-N 2.7Å; Y219-K222 PolarHBondContact O-N 3.22Å; K222-I226 HydrophobicContact CD-CB 4.36Å; K222-I226 HydrophobicContact CD-CG1 4.12Å; K222-Y229 HydrophobicContact CB-CD1 3.93Å; K222-Y229 HydrophobicContact CB-CG 4.08Å; K222-Y229 HydrophobicContact CD-CD1 3.66Å; K222-Y229 HydrophobicContact CD-CD2 3.84Å; K222-Y229 HydrophobicContact CD-CE1 3.89Å; K222-Y229 HydrophobicContact CD-CE2 4.06Å; K222-Y229 HydrophobicContact CD-CG 3.64Å; K222-Y229 HydrophobicContact CG-CD1 3.75Å; K222-Y229 HydrophobicContact CG-CE1 4.13Å; K222-Y229 HydrophobicContact CG-CG 4.11Å; K222-Y229 WeakPolarHBondContact O-CB 3.49Å; K222-H276 WeakPolarHBondContact CE-CD2 3.47Å; K222-H276 VanDerWaalsContact CE-CG 3.41Å; K222-H276 WeakPolarHBondContact CE-NE2 3.41Å; K222-H276 PolarHBondContact NZ-CD2 2.75Å; K222-H276 PolarHBondContact NZ-CE1 2.04Å; K222-H276 PolarHBondContact NZ-NE2 3.39Å; K222-W277 HydrophobicContact CG-CZ3 4.45Å
223F96.1Very high96.2Very high7 Ų745.6 Ų45.63%0.03123%0.229CC..Hα-helixtrans-105.3-9.5-179.8-58.3-74.4000113.5Y219 N221 Q230 I237 V256 F261Y219-F223 HydrophobicContact CD2-CB 4.38Å; Y219-F223 AromaticContact CD2-CD2 3.45Å; Y219-F223 HydrophobicContact CD2-CD2 3.45Å; Y219-F223 VanDerWaalsContact CD2-CD2 3.45Å; Y219-F223 HydrophobicContact CD2-CE2 4.12Å; Y219-F223 HydrophobicContact CD2-CG 4.24Å; Y219-F223 HydrophobicContact CE2-CB 4.17Å; Y219-F223 AromaticContact CE2-CD2 3.92Å; Y219-F223 HydrophobicContact CE2-CD2 3.92Å; Y219-F223 HydrophobicContact CE2-CG 4.28Å; Y219-F223 HydrophobicContact CG-CD2 4.32Å; Y219-F223 WeakPolarHBondContact O-CD2 3.49Å; Y219-F223 PolarHBondContact O-N 2.86Å; N221-F223 PolarHBondContact O-N 3.32Å; F223-Q230 PolarHBondContact O-NE2 2.75Å; F223-I237 HydrophobicContact CE1-CD1 3.96Å; F223-I237 HydrophobicContact CZ-CD1 3.67Å; F223-V256 HydrophobicContact CD1-CB 4.01Å; F223-V256 HydrophobicContact CD1-CG1 4.37Å; F223-V256 HydrophobicContact CD1-CG2 3.97Å; F223-V256 HydrophobicContact CE1-CG2 4.26Å; F223-V256 HydrophobicContact CG-CB 4.29Å; F223-F261 HydrophobicContact CD2-CD2 4.45Å; F223-F261 AromaticContact CE2-CD2 3.48Å; F223-F261 HydrophobicContact CE2-CD2 3.48Å; F223-F261 VanDerWaalsContact CE2-CD2 3.48Å; F223-F261 AromaticContact CE2-CE2 3.73Å; F223-F261 HydrophobicContact CE2-CE2 3.73Å; F223-F261 HydrophobicContact CE2-CG 4.09Å; F223-F261 HydrophobicContact CE2-CZ 4.5Å; F223-F261 AromaticContact CZ-CD2 3.96Å; F223-F261 HydrophobicContact CZ-CD2 3.96Å; F223-F261 HydrophobicContact CZ-CE2 4.28Å
224G92.3Very high96.2Very high56 Ų5643.9 Ų43.958%0.57722%0.221SC*.Hα-helixtrans-104.7-21.3174.600000115.3R220R220-G224 WeakPolarHBondContact O-CA 3.39Å; R220-G224 PolarHBondContact O-N 3.3Å
225E91.2Very high96.1Very high103 Ų10344.2 Ų44.248%0.48122%0.224SC..THydrogen-bonded Turntrans-133.4-22.8-169.6-58.7169-17000114.2N221N221-E225 PolarHBondContact ND2-OE2 2.82Å; N221-E225 WeakPolarHBondContact O-CB 3.41Å; N221-E225 PolarHBondContact O-N 3.23Å
226I93.8Very high96.1Very high52 Ų5246.9 Ų46.927%0.26724%0.236SC..  trans-112.695.2-170.1-49.5-61000111.6N221 K222 S228 Y229 Q230N221-I226 WeakPolarHBondContact O-CG1 3.25Å; N221-I226 PolarHBondContact O-N 2.82Å; K222-I226 HydrophobicContact CD-CB 4.36Å; K222-I226 HydrophobicContact CD-CG1 4.12Å; I226-S228 VanDerWaalsContact C-N 3.27Å; I226-S228 WeakPolarHBondContact CG2-OG 3.3Å; I226-S228 PolarHBondContact O-N 2.8Å; I226-S228 VanDerWaalsContact O-N 3.16Å; I226-Y229 HydrophobicContact CB-CD2 4.3Å; I226-Y229 HydrophobicContact CG2-CD2 3.57Å; I226-Y229 HydrophobicContact CG2-CE2 4.37Å; I226-Y229 HydrophobicContact CG2-CG 4.35Å; I226-Y229 WeakPolarHBondContact O-CB 3.37Å; I226-Y229 PolarHBondContact O-N 3.16Å; I226-Q230 PolarHBondContact O-N 3.4Å
227E95.3Very high96.1Very high116 Ų11646.9 Ų46.954%0.54224%0.236SC..Hα-helixtrans-53.3-38.8-177-166.6-170.9174.600114Y229 Q230 K231E227-Y229 VanDerWaalsContact C-N 3.25Å; E227-Y229 PolarHBondContact O-N 3.47Å; E227-Q230 WeakPolarHBondContact O-CB 3.25Å; E227-Q230 PolarHBondContact O-N 3.02Å; E227-K231 HydrophobicContact CG-CD 4.16Å; E227-K231 HydrophobicContact CG-CG 4.48Å; E227-K231 PolarHBondContact O-N 2.85Å; E227-K231 WeakPolarHBondContact OE1-CE 3.38Å; E227-K231 IonicContact OE1-NZ 3.14Å; E227-K231 PolarHBondContact OE1-NZ 3.41Å
228S95.9Very high96.1Very high82 Ų8246.7 Ų46.757%0.57324%0.235SC*.Hα-helixtrans-65-29178.960.40000113.3I226 K232I226-S228 VanDerWaalsContact C-N 3.27Å; I226-S228 WeakPolarHBondContact CG2-OG 3.3Å; I226-S228 PolarHBondContact O-N 2.8Å; I226-S228 VanDerWaalsContact O-N 3.16Å; S228-K232 VanDerWaalsContact O-CB 3.32Å; S228-K232 WeakPolarHBondContact O-CB 3.31Å; S228-K232 PolarHBondContact O-N 2.89Å
229Y97.1Very high96.1Very high40 Ų4050.3 Ų50.316%0.15725%0.251CS..Hα-helixtrans-80-38174.5-85.3-105.5000111.5K222 I226 E227 K232 Y233 G234 H276 W277K222-Y229 HydrophobicContact CB-CD1 3.93Å; K222-Y229 HydrophobicContact CB-CG 4.08Å; K222-Y229 HydrophobicContact CD-CD1 3.66Å; K222-Y229 HydrophobicContact CD-CD2 3.84Å; K222-Y229 HydrophobicContact CD-CE1 3.89Å; K222-Y229 HydrophobicContact CD-CE2 4.06Å; K222-Y229 HydrophobicContact CD-CG 3.64Å; K222-Y229 HydrophobicContact CG-CD1 3.75Å; K222-Y229 HydrophobicContact CG-CE1 4.13Å; K222-Y229 HydrophobicContact CG-CG 4.11Å; K222-Y229 WeakPolarHBondContact O-CB 3.49Å; I226-Y229 HydrophobicContact CB-CD2 4.3Å; I226-Y229 HydrophobicContact CG2-CD2 3.57Å; I226-Y229 HydrophobicContact CG2-CE2 4.37Å; I226-Y229 HydrophobicContact CG2-CG 4.35Å; I226-Y229 WeakPolarHBondContact O-CB 3.37Å; I226-Y229 PolarHBondContact O-N 3.16Å; E227-Y229 VanDerWaalsContact C-N 3.25Å; E227-Y229 PolarHBondContact O-N 3.47Å; Y229-K232 PolarHBondContact O-N 2.98Å; Y229-Y233 AromaticContact CD1-CD2 3.64Å; Y229-Y233 HydrophobicContact CD1-CD2 3.64Å; Y229-Y233 AromaticContact CD1-CE2 3.93Å; Y229-Y233 HydrophobicContact CD1-CE2 3.93Å; Y229-Y233 HydrophobicContact CE1-CD2 4.1Å; Y229-Y233 AromaticContact CE1-CE2 3.89Å; Y229-Y233 HydrophobicContact CE1-CE2 3.89Å; Y229-Y233 HydrophobicContact CG-CD2 4.37Å; Y229-Y233 PolarHBondContact O-N 3.39Å; Y229-G234 PolarHBondContact O-N 2.94Å; Y229-G234 VanDerWaalsContact O-N 3.11Å; Y229-H276 AromaticContact CE1-CD2 3.8Å; Y229-H276 AromaticContact CZ-CD2 3.64Å; Y229-H276 AromaticContact CZ-NE2 3.88Å; Y229-H276 PolarHBondContact OH-CD2 3.05Å; Y229-H276 PolarHBondContact OH-NE2 2.92Å; Y229-W277 HydrophobicContact CD1-CH2 4.32Å; Y229-W277 HydrophobicContact CD1-CZ3 4.17Å; Y229-W277 HydrophobicContact CE1-CH2 4.36Å; Y229-W277 HydrophobicContact CE1-CZ3 4.18Å
230Q96.8Very high96Very high26 Ų2654.8 Ų54.812%0.12127%0.267CS..Iπ-helixtrans-58.6-52.1173.3-66.5168.7-22.900110.8F223 I226 E227 K232 G234 A235 T252 D254F223-Q230 PolarHBondContact O-NE2 2.75Å; I226-Q230 PolarHBondContact O-N 3.4Å; E227-Q230 WeakPolarHBondContact O-CB 3.25Å; E227-Q230 PolarHBondContact O-N 3.02Å; Q230-K232 VanDerWaalsContact C-N 3.31Å; Q230-K232 PolarHBondContact O-N 3.33Å; Q230-G234 CarbonylContact O-C 3.46Å; Q230-G234 WeakPolarHBondContact O-CA 3.3Å; Q230-G234 PolarHBondContact O-N 2.88Å; Q230-A235 PolarHBondContact O-N 3.43Å; Q230-T252 CarbonylContact C-O 3.55Å; Q230-D254 HydrophobicContact CB-CB 4.4Å; Q230-D254 HydrophobicContact CG-CB 4.23Å
231K95.9Very high96Very high131 Ų13154.2 Ų54.257%0.5727%0.266SS*.Iπ-helixtrans-63.3-33.3179.5-74.5177.8168.7170.70113.9E227 A235E227-K231 HydrophobicContact CG-CD 4.16Å; E227-K231 HydrophobicContact CG-CG 4.48Å; E227-K231 PolarHBondContact O-N 2.85Å; E227-K231 WeakPolarHBondContact OE1-CE 3.38Å; E227-K231 IonicContact OE1-NZ 3.14Å; E227-K231 PolarHBondContact OE1-NZ 3.41Å; K231-A235 WeakPolarHBondContact O-CB 3.36Å
232K95.8Very high96Very high132 Ų13255.8 Ų55.857%0.57427%0.27SS*.Iπ-helixtrans-85.6-70.6-179.8-177178.8178.5-1770111.7S228 Y229 Q230 E236S228-K232 VanDerWaalsContact O-CB 3.32Å; S228-K232 WeakPolarHBondContact O-CB 3.31Å; S228-K232 PolarHBondContact O-N 2.89Å; Y229-K232 PolarHBondContact O-N 2.98Å; Q230-K232 VanDerWaalsContact C-N 3.31Å; Q230-K232 PolarHBondContact O-N 3.33Å; K232-E236 WeakPolarHBondContact O-CB 3.34Å; K232-E236 PolarHBondContact O-N 3.48Å
233Y97.8Very high95.9Very high30 Ų3065.1 Ų65.112%0.11831%0.31CS..Iπ-helixtrans-81.5-38.1-174-67.9-77.4000111.3Y229 E236 I237 Y264 N274 W277Y229-Y233 AromaticContact CD1-CD2 3.64Å; Y229-Y233 HydrophobicContact CD1-CD2 3.64Å; Y229-Y233 AromaticContact CD1-CE2 3.93Å; Y229-Y233 HydrophobicContact CD1-CE2 3.93Å; Y229-Y233 HydrophobicContact CE1-CD2 4.1Å; Y229-Y233 AromaticContact CE1-CE2 3.89Å; Y229-Y233 HydrophobicContact CE1-CE2 3.89Å; Y229-Y233 HydrophobicContact CG-CD2 4.37Å; Y229-Y233 PolarHBondContact O-N 3.39Å; Y233-E236 WeakPolarHBondContact O-CB 3.4Å; Y233-E236 PolarHBondContact O-N 3.15Å; Y233-I237 WeakPolarHBondContact O-CB 3.44Å; Y233-I237 WeakPolarHBondContact O-CD1 3.18Å; Y233-I237 WeakPolarHBondContact O-CG1 3.12Å; Y233-I237 PolarHBondContact O-N 2.95Å; Y233-Y264 HydrophobicContact CD1-CE1 4.34Å; Y233-Y264 WeakPolarHBondContact CD1-OH 3.49Å; Y233-N274 PolarHBondContact OH-ND2 3.24Å; Y233-N274 VanDerWaalsContact OH-ND2 3.12Å; Y233-W277 AromaticContact CD1-CH2 3.89Å; Y233-W277 HydrophobicContact CD1-CH2 3.89Å; Y233-W277 AromaticContact CD1-CZ2 3.85Å; Y233-W277 HydrophobicContact CD1-CZ2 3.85Å; Y233-W277 AromaticContact CD2-CH2 3.82Å; Y233-W277 HydrophobicContact CD2-CH2 3.82Å; Y233-W277 HydrophobicContact CE1-CH2 4.07Å; Y233-W277 AromaticContact CE1-CZ2 3.85Å; Y233-W277 HydrophobicContact CE1-CZ2 3.85Å; Y233-W277 AromaticContact CE2-CH2 4Å; Y233-W277 HydrophobicContact CE2-CH2 4Å; Y233-W277 AromaticContact CG-CH2 3.75Å; Y233-W277 HydrophobicContact CG-CH2 3.75Å; Y233-W277 HydrophobicContact CG-CZ2 4.21Å
234G97.6Very high95.7Very high0 Ų068.7 Ų68.70%035%0.349CS..Iπ-helixtrans-68-43.5-176.300000112.3Y229 Q230 E236 I237 V238 G253 V256Y229-G234 PolarHBondContact O-N 2.94Å; Y229-G234 VanDerWaalsContact O-N 3.11Å; Q230-G234 CarbonylContact O-C 3.46Å; Q230-G234 WeakPolarHBondContact O-CA 3.3Å; Q230-G234 PolarHBondContact O-N 2.88Å; G234-E236 VanDerWaalsContact C-N 3.31Å; G234-E236 PolarHBondContact O-N 3.26Å; G234-I237 PolarHBondContact O-N 2.91Å; G234-V238 WeakPolarHBondContact O-CG2 3.48Å; G234-V238 PolarHBondContact O-N 3.29Å; G234-G253 VanDerWaalsContact C-CA 3.42Å; G234-G253 WeakPolarHBondContact CA-O 3.48Å; G234-V256 VanDerWaalsContact CA-CG2 3.41Å; G234-V256 WeakPolarHBondContact O-CG2 3.43Å
235A96.8Very high95.7Very high8 Ų871.2 Ų71.27%0.06634%0.342CS..Hα-helixtrans-63.8-38.9175.700000111.8Q230 K231 K239 V251Q230-A235 PolarHBondContact O-N 3.43Å; K231-A235 WeakPolarHBondContact O-CB 3.36Å; A235-K239 WeakPolarHBondContact O-CB 3.38Å; A235-K239 WeakPolarHBondContact O-CG 3.35Å; A235-K239 PolarHBondContact O-N 3.11Å; A235-V251 HydrophobicContact CB-CG1 3.92Å
236E97Very high95.7Very high57 Ų5769.8 Ų69.827%0.26635%0.347SS..Hα-helixtrans-60.6-49173.1177.7180-170.600112K232 Y233 G234 V238 K239 R240K232-E236 WeakPolarHBondContact O-CB 3.34Å; K232-E236 PolarHBondContact O-N 3.48Å; Y233-E236 WeakPolarHBondContact O-CB 3.4Å; Y233-E236 PolarHBondContact O-N 3.15Å; G234-E236 VanDerWaalsContact C-N 3.31Å; G234-E236 PolarHBondContact O-N 3.26Å; E236-V238 PolarHBondContact O-N 2.82Å; E236-K239 PolarHBondContact O-N 3.42Å; E236-R240 WeakPolarHBondContact O-CB 3.45Å; E236-R240 WeakPolarHBondContact O-CG 3.42Å; E236-R240 PolarHBondContact O-N 3.47Å; E236-R240 IonicContact OE1-CZ 3.65Å; E236-R240 IonicContact OE1-NE 3.51Å; E236-R240 PolarHBondContact OE1-NE 3.05Å; E236-R240 IonicContact OE1-NH2 3.45Å; E236-R240 PolarHBondContact OE1-NH2 3.2Å
237I97.9Very high95.5Very high0 Ų077.1 Ų77.10%038%0.377CS..Hα-helixtrans-58.8-49.2178.8-69.3166.5000110.3F223 Y233 G234 K239 R240 Y241 V256 E260 F261 Y264F223-I237 HydrophobicContact CE1-CD1 3.96Å; F223-I237 HydrophobicContact CZ-CD1 3.67Å; Y233-I237 WeakPolarHBondContact O-CB 3.44Å; Y233-I237 WeakPolarHBondContact O-CD1 3.18Å; Y233-I237 WeakPolarHBondContact O-CG1 3.12Å; Y233-I237 PolarHBondContact O-N 2.95Å; G234-I237 PolarHBondContact O-N 2.91Å; I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 3.48Å; I237-R240 PolarHBondContact O-N 3.26Å; I237-Y241 HydrophobicContact CG2-CD2 3.9Å; I237-Y241 HydrophobicContact CG2-CE2 4.34Å; I237-Y241 WeakPolarHBondContact O-CD2 3.38Å; I237-Y241 PolarHBondContact O-N 3.07Å; I237-V256 HydrophobicContact CB-CG1 4.44Å; I237-V256 HydrophobicContact CB-CG2 4.4Å; I237-V256 HydrophobicContact CD1-CG1 4.2Å; I237-V256 HydrophobicContact CG2-CG1 3.81Å; I237-V256 HydrophobicContact CG2-CG2 4.43Å; I237-E260 HydrophobicContact CG2-CB 3.72Å; I237-F261 HydrophobicContact CD1-CD2 4.25Å; I237-Y264 HydrophobicContact CD1-CD1 3.95Å; I237-Y264 HydrophobicContact CD1-CD2 4.47Å; I237-Y264 HydrophobicContact CD1-CG 3.9Å; I237-Y264 HydrophobicContact CG1-CD1 4.1Å; I237-Y264 HydrophobicContact CG1-CD2 3.72Å; I237-Y264 HydrophobicContact CG1-CE2 4.33Å; I237-Y264 HydrophobicContact CG1-CG 3.58Å
238V97.8Very high95.3Very high3 Ų373.5 Ų73.52%0.01836%0.362CS..Hα-helixtrans-59.6-45.1178.7168.20000111.2G234 E236 R240 R242 R245 V251 V256G234-V238 WeakPolarHBondContact O-CG2 3.48Å; G234-V238 PolarHBondContact O-N 3.29Å; E236-V238 PolarHBondContact O-N 2.82Å; V238-R240 VanDerWaalsContact C-N 3.32Å; V238-R240 PolarHBondContact O-N 2.73Å; V238-R242 HydrophobicContact CG1-CB 4.44Å; V238-R242 HydrophobicContact CG1-CG 4.24Å; V238-R242 WeakPolarHBondContact O-CB 3.03Å; V238-R242 PolarHBondContact O-N 2.59Å; V238-R245 HydrophobicContact CG1-CB 4.29Å; V238-R245 HydrophobicContact CG1-CG 4.42Å; V238-V251 HydrophobicContact CB-CG1 3.71Å; V238-V251 HydrophobicContact CG1-CG1 3.55Å; V238-V251 HydrophobicContact CG1-CG2 4.1Å; V238-V251 HydrophobicContact CG2-CG1 4.43Å; V238-V256 HydrophobicContact CG2-CG2 4.02Å
239K96.4Very high95Very high76 Ų7674.2 Ų74.233%0.3337%0.372SS..Hα-helixtrans-63.5-35.9178.5-75.2174.2-179.8-179.10112.9A235 E236 I237 R245 D248 V251A235-K239 WeakPolarHBondContact O-CB 3.38Å; A235-K239 WeakPolarHBondContact O-CG 3.35Å; A235-K239 PolarHBondContact O-N 3.11Å; E236-K239 PolarHBondContact O-N 3.42Å; I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 3.48Å; K239-R245 WeakPolarHBondContact CG-O 3.39Å; K239-D248 WeakPolarHBondContact CE-O 3.38Å; K239-V251 HydrophobicContact CG-CG2 4.48Å
240R96.4Very high94.6Very high120 Ų12076.1 Ų76.145%0.45339%0.392SS..Hα-helixtrans-73.3-43.8179.2-74.5-178.5-178-162.12.2112.5E236 I237 V238 E268E236-R240 WeakPolarHBondContact O-CB 3.45Å; E236-R240 WeakPolarHBondContact O-CG 3.42Å; E236-R240 PolarHBondContact O-N 3.47Å; E236-R240 IonicContact OE1-CZ 3.65Å; E236-R240 IonicContact OE1-NE 3.51Å; E236-R240 PolarHBondContact OE1-NE 3.05Å; E236-R240 IonicContact OE1-NH2 3.45Å; E236-R240 PolarHBondContact OE1-NH2 3.2Å; I237-R240 PolarHBondContact O-N 3.26Å; V238-R240 VanDerWaalsContact C-N 3.32Å; V238-R240 PolarHBondContact O-N 2.73Å; R240-E268 IonicContact CZ-OE1 3.22Å; R240-E268 IonicContact NH1-OE1 3.12Å; R240-E268 PolarHBondContact NH1-OE1 3.22Å; R240-E268 IonicContact NH2-OE1 3.11Å
241Y96.1Very high94.4Very high59 Ų5975.9 Ų75.923%0.23139%0.392CS..Hα-helixtrans-108.9-14.6-166.2-57.1-69.3000115.6I237 R263 Y264 D267I237-Y241 HydrophobicContact CG2-CD2 3.9Å; I237-Y241 HydrophobicContact CG2-CE2 4.34Å; I237-Y241 WeakPolarHBondContact O-CD2 3.38Å; I237-Y241 PolarHBondContact O-N 3.07Å; Y241-R263 HydrophobicContact CD1-CB 4.29Å; Y241-R263 HydrophobicContact CE1-CB 4.09Å; Y241-Y264 HydrophobicContact CE2-CD2 4.35Å; Y241-Y264 WeakPolarHBondContact OH-CA 3.16Å; Y241-D267 VanDerWaalsContact CE1-OD2 3.32Å; Y241-D267 WeakPolarHBondContact CE1-OD2 3.27Å; Y241-D267 VanDerWaalsContact CZ-OD2 3.32Å; Y241-D267 PolarHBondContact OH-OD2 3.26Å
242R96.4Very high94.1Very high56 Ų5673.3 Ų73.321%0.21139%0.387CS..SBendtrans-96.5125.8175.2-58.7-164.9-171.4152.1-1.2111.4V238 G244 R245 D255 E260V238-R242 HydrophobicContact CG1-CB 4.44Å; V238-R242 HydrophobicContact CG1-CG 4.24Å; V238-R242 WeakPolarHBondContact O-CB 3.03Å; V238-R242 PolarHBondContact O-N 2.59Å; R242-G244 PolarHBondContact O-N 2.94Å; R242-R245 HydrophobicContact CB-CB 4.23Å; R242-R245 HydrophobicContact CB-CG 3.9Å; R242-R245 PolarHBondContact O-N 2.89Å; R242-D255 IonicContact CZ-OD1 3.44Å; R242-D255 IonicContact CZ-OD2 3.56Å; R242-D255 IonicContact NH1-OD1 3.59Å; R242-D255 PolarHBondContact NH1-OD1 2.8Å; R242-D255 IonicContact NH1-OD2 3.71Å; R242-D255 PolarHBondContact NH1-OD2 2.69Å; R242-D255 PolarHBondContact NH2-O 2.82Å; R242-D255 IonicContact NH2-OD1 3.5Å; R242-D255 PolarHBondContact NH2-OD1 3Å; R242-D255 IonicContact NH2-OD2 2.72Å; R242-E260 VanDerWaalsContact CG-OE1 3.23Å; R242-E260 WeakPolarHBondContact CG-OE1 3.49Å; R242-E260 IonicContact CZ-OE1 3.1Å; R242-E260 IonicContact CZ-OE2 2.8Å; R242-E260 IonicContact NE-OE1 3.29Å; R242-E260 PolarHBondContact NE-OE1 3.32Å; R242-E260 IonicContact NE-OE2 3.33Å; R242-E260 IonicContact NH2-OE1 2.59Å; R242-E260 IonicContact NH2-OE2 3.16Å; R242-E260 PolarHBondContact NH2-OE2 3.38Å
243K93.6Very high94Very high213 Ų21367 Ų6793%0.92636%0.36SS*.THydrogen-bonded Turntrans-57.8135.9177.8-66.5-175.3179.9-178.70110.7R245K243-R245 VanDerWaalsContact C-N 3.28Å; K243-R245 PolarHBondContact O-N 3.5Å
244G92.2Very high93.8Very high83 Ų8369.8 Ų69.886%0.85638%0.377SS*.THydrogen-bonded Turntrans77.8-0.7176.500000115.9R242R242-G244 PolarHBondContact O-N 2.94Å
245R92.9Very high93.7Very high109 Ų10974 Ų7441%0.41140%0.399SS..  trans-99.3-7.8-176.5-63.9-63.4-170144.96.5115.1V238 K239 R242 K243 K247 D248 V251V238-R245 HydrophobicContact CG1-CB 4.29Å; V238-R245 HydrophobicContact CG1-CG 4.42Å; K239-R245 WeakPolarHBondContact CG-O 3.39Å; R242-R245 HydrophobicContact CB-CB 4.23Å; R242-R245 HydrophobicContact CB-CG 3.9Å; R242-R245 PolarHBondContact O-N 2.89Å; K243-R245 VanDerWaalsContact C-N 3.28Å; K243-R245 PolarHBondContact O-N 3.5Å; R245-K247 VanDerWaalsContact C-N 3.28Å; R245-K247 PolarHBondContact O-N 3.23Å; R245-K247 VanDerWaalsContact O-N 3.1Å; R245-D248 VanDerWaalsContact CD-OD2 3.3Å; R245-D248 WeakPolarHBondContact CD-OD2 3.42Å; R245-D248 IonicContact CZ-OD2 2.61Å; R245-D248 IonicContact NE-OD2 2.9Å; R245-D248 IonicContact NH1-OD2 3.61Å; R245-D248 PolarHBondContact NH1-OD2 2.86Å; R245-D248 WeakPolarHBondContact O-CB 3.38Å; R245-D248 PolarHBondContact O-N 3.18Å; R245-V251 HydrophobicContact CB-CG2 4.39Å
246A89.8Confident93.7Very high72 Ų7273.8 Ų73.860%0.59540%0.397SS*.THydrogen-bonded Turntrans-54.4-36.4-171.300000115.3
247K90.6Very high93.8Very high207 Ų20774.2 Ų74.290%0.940%0.404SS*.THydrogen-bonded Turntrans-106.88.3179.4-63.5-176.6179.5-179.20113.5R245 A249R245-K247 VanDerWaalsContact C-N 3.28Å; R245-K247 PolarHBondContact O-N 3.23Å; R245-K247 VanDerWaalsContact O-N 3.1Å; K247-A249 PolarHBondContact O-N 3.44Å
248D91.1Very high93.8Very high40 Ų4074.9 Ų74.921%0.21441%0.406CS..  trans-77.3114.2-176.7-176.3-0.6000110.3K239 R245 S250 V251K239-D248 WeakPolarHBondContact CE-O 3.38Å; R245-D248 VanDerWaalsContact CD-OD2 3.3Å; R245-D248 WeakPolarHBondContact CD-OD2 3.42Å; R245-D248 IonicContact CZ-OD2 2.61Å; R245-D248 IonicContact NE-OD2 2.9Å; R245-D248 IonicContact NH1-OD2 3.61Å; R245-D248 PolarHBondContact NH1-OD2 2.86Å; R245-D248 WeakPolarHBondContact O-CB 3.38Å; R245-D248 PolarHBondContact O-N 3.18Å; D248-S250 VanDerWaalsContact C-N 3.27Å; D248-S250 VanDerWaalsContact CG-OG 3.23Å; D248-S250 WeakPolarHBondContact OD1-CB 3.4Å; D248-S250 PolarHBondContact OD1-N 3.34Å; D248-S250 PolarHBondContact OD1-OG 3.48Å; D248-S250 PolarHBondContact OD2-OG 2.98Å; D248-V251 HydrophobicContact CB-CG2 3.85Å
249A88.5Confident93.8Very high97 Ų9775.3 Ų75.380%0.80241%0.412SS*.THydrogen-bonded Turntrans-76-14.7178.900000113K247 V251K247-A249 PolarHBondContact O-N 3.44Å; A249-V251 VanDerWaalsContact C-N 3.31Å
250S90.3Very high93.9Very high80 Ų8072.5 Ų72.556%0.55940%0.4SS*.THydrogen-bonded Turntrans-81.8-6.7179.872.40000114D248 T252D248-S250 VanDerWaalsContact C-N 3.27Å; D248-S250 VanDerWaalsContact CG-OG 3.23Å; D248-S250 WeakPolarHBondContact OD1-CB 3.4Å; D248-S250 PolarHBondContact OD1-N 3.34Å; D248-S250 PolarHBondContact OD1-OG 3.48Å; D248-S250 PolarHBondContact OD2-OG 2.98Å; S250-T252 PolarHBondContact O-N 2.91Å; S250-T252 VanDerWaalsContact O-N 3.17Å
251V92.4Very high94Very high20 Ų2066.8 Ų66.812%0.12138%0.378CS..  trans-66.1114.7-179176.10000110.9A235 V238 K239 R245 D248 A249A235-V251 HydrophobicContact CB-CG1 3.92Å; V238-V251 HydrophobicContact CB-CG1 3.71Å; V238-V251 HydrophobicContact CG1-CG1 3.55Å; V238-V251 HydrophobicContact CG1-CG2 4.1Å; V238-V251 HydrophobicContact CG2-CG1 4.43Å; K239-V251 HydrophobicContact CG-CG2 4.48Å; R245-V251 HydrophobicContact CB-CG2 4.39Å; D248-V251 HydrophobicContact CB-CG2 3.85Å; A249-V251 VanDerWaalsContact C-N 3.31Å
252T88.9Confident94.1Very high78 Ų7864 Ų6448%0.47937%0.367SS..  trans-87.8-31.3178.745.30000113.3Q230 S250 D254Q230-T252 CarbonylContact C-O 3.55Å; S250-T252 PolarHBondContact O-N 2.91Å; S250-T252 VanDerWaalsContact O-N 3.17Å; T252-D254 VanDerWaalsContact C-N 3.34Å; T252-D254 WeakPolarHBondContact CB-OD1 3.45Å; T252-D254 PolarHBondContact OG1-OD1 3.11Å
253G93.4Very high94.2Very high0 Ų065.9 Ų65.90%037%0.374CS..  trans7814176.100000115.4G234 V256G234-G253 VanDerWaalsContact C-CA 3.42Å; G234-G253 WeakPolarHBondContact CA-O 3.48Å; G253-V256 WeakPolarHBondContact O-CG2 3.08Å
254D93.6Very high94.4Very high88 Ų8856.1 Ų56.147%0.47133%0.332SS..  trans-86.6-7.2178.259.6-26.9000113.6Q230 T252Q230-D254 HydrophobicContact CB-CB 4.4Å; Q230-D254 HydrophobicContact CG-CB 4.23Å; T252-D254 VanDerWaalsContact C-N 3.34Å; T252-D254 WeakPolarHBondContact CB-OD1 3.45Å; T252-D254 PolarHBondContact OG1-OD1 3.11Å
255D95.7Very high94.7Very high88 Ų8852.1 Ų52.147%0.47129%0.291SS..  trans-11220.6-177.777.4-20.5000113.6R242 T257R242-D255 IonicContact CZ-OD1 3.44Å; R242-D255 IonicContact CZ-OD2 3.56Å; R242-D255 IonicContact NH1-OD1 3.59Å; R242-D255 PolarHBondContact NH1-OD1 2.8Å; R242-D255 IonicContact NH1-OD2 3.71Å; R242-D255 PolarHBondContact NH1-OD2 2.69Å; R242-D255 PolarHBondContact NH2-O 2.82Å; R242-D255 IonicContact NH2-OD1 3.5Å; R242-D255 PolarHBondContact NH2-OD1 3Å; R242-D255 IonicContact NH2-OD2 2.72Å; D255-T257 PolarHBondContact O-N 3.17Å
256V97.6Very high94.9Very high4 Ų448.3 Ų48.32%0.02428%0.278CS..  trans-62.1124.5179.6175.20000110.1Y219 F223 G234 I237 V238 G253 E260 F261Y219-V256 HydrophobicContact CE2-CG1 4.36Å; Y219-V256 WeakPolarHBondContact CE2-O 3.35Å; Y219-V256 PolarHBondContact OH-O 2.85Å; F223-V256 HydrophobicContact CD1-CB 4.01Å; F223-V256 HydrophobicContact CD1-CG1 4.37Å; F223-V256 HydrophobicContact CD1-CG2 3.97Å; F223-V256 HydrophobicContact CE1-CG2 4.26Å; F223-V256 HydrophobicContact CG-CB 4.29Å; G234-V256 VanDerWaalsContact CA-CG2 3.41Å; G234-V256 WeakPolarHBondContact O-CG2 3.43Å; I237-V256 HydrophobicContact CB-CG1 4.44Å; I237-V256 HydrophobicContact CB-CG2 4.4Å; I237-V256 HydrophobicContact CD1-CG1 4.2Å; I237-V256 HydrophobicContact CG2-CG1 3.81Å; I237-V256 HydrophobicContact CG2-CG2 4.43Å; V238-V256 HydrophobicContact CG2-CG2 4.02Å; G253-V256 WeakPolarHBondContact O-CG2 3.08Å; V256-E260 HydrophobicContact CG1-CB 4.26Å; V256-F261 HydrophobicContact CG1-CB 4.23Å
257T97.5Very high95.2Very high66 Ų6650 Ų5041%0.40528%0.278SS..  trans-78.1156.7175.3650000111.7Y219 D255 G259 E260 F261Y219-T257 VanDerWaalsContact OH-C 3.26Å; Y219-T257 WeakPolarHBondContact OH-CA 3.47Å; D255-T257 PolarHBondContact O-N 3.17Å; T257-G259 PolarHBondContact O-N 2.98Å; T257-E260 WeakPolarHBondContact CB-OE2 3.16Å; T257-E260 PolarHBondContact N-OE2 2.6Å; T257-E260 PolarHBondContact O-N 3.31Å; T257-E260 VanDerWaalsContact O-N 3.17Å; T257-E260 WeakPolarHBondContact OG1-CB 3.33Å; T257-E260 VanDerWaalsContact OG1-CD 3.24Å; T257-E260 WeakPolarHBondContact OG1-CG 3.34Å; T257-E260 PolarHBondContact OG1-N 2.88Å; T257-E260 PolarHBondContact OG1-OE2 3.44Å; T257-F261 PolarHBondContact O-N 2.82Å
258F97.8Very high95.5Very high13 Ų1341.9 Ų41.96%0.05724%0.243CC..Hα-helixtrans-60.3-37176.6-176.5-118.3000111.9L216 Y219 F261 V262 Y337 L341L216-F258 HydrophobicContact CD1-CD2 4.31Å; L216-F258 HydrophobicContact CD1-CE2 4.21Å; Y219-F258 HydrophobicContact CD1-CB 4.31Å; Y219-F258 AromaticContact CD1-CD2 3.72Å; Y219-F258 HydrophobicContact CD1-CD2 3.72Å; Y219-F258 HydrophobicContact CD1-CG 4.43Å; Y219-F258 HydrophobicContact CD2-CD2 4.19Å; Y219-F258 HydrophobicContact CE1-CB 3.86Å; Y219-F258 HydrophobicContact CE1-CD2 4.15Å; Y219-F258 HydrophobicContact CE1-CG 4.45Å; Y219-F258 HydrophobicContact CE2-CB 4.42Å; Y219-F258 AromaticContact CG-CD2 3.75Å; Y219-F258 HydrophobicContact CG-CD2 3.75Å; Y219-F258 HydrophobicContact CG-CE2 4.44Å; Y219-F258 PolarHBondContact OH-N 3.34Å; F258-F261 HydrophobicContact CD2-CD1 4.15Å; F258-F261 HydrophobicContact CE2-CD1 4.18Å; F258-F261 PolarHBondContact O-N 3.4Å; F258-V262 HydrophobicContact CD1-CG2 4.34Å; F258-V262 HydrophobicContact CD2-CG2 4.48Å; F258-V262 HydrophobicContact CE1-CG2 3.99Å; F258-V262 HydrophobicContact CE2-CG2 4.14Å; F258-V262 HydrophobicContact CZ-CG2 3.88Å; F258-V262 WeakPolarHBondContact O-CG2 3.39Å; F258-V262 PolarHBondContact O-N 2.88Å; F258-Y337 HydrophobicContact CB-CD1 3.56Å; F258-Y337 HydrophobicContact CB-CE1 3.75Å; F258-Y337 AromaticContact CD1-CD1 3.75Å; F258-Y337 HydrophobicContact CD1-CD1 3.75Å; F258-Y337 HydrophobicContact CD1-CG 4.36Å; F258-Y337 HydrophobicContact CD2-CD1 4.37Å; F258-Y337 AromaticContact CG-CD1 3.64Å; F258-Y337 HydrophobicContact CG-CD1 3.64Å; F258-Y337 HydrophobicContact CG-CE1 4.24Å; F258-L341 HydrophobicContact CD1-CD1 4.23Å; F258-L341 HydrophobicContact CE1-CD1 4.45Å; F258-L341 HydrophobicContact CE1-CD2 4.27Å
259G98.1Very high95.7Very high13 Ų1343.9 Ų43.913%0.13425%0.254CS..Hα-helixtrans-64.9-38.1175.800000113.6T257 V262 R263T257-G259 PolarHBondContact O-N 2.98Å; G259-V262 PolarHBondContact O-N 2.85Å; G259-R263 WeakPolarHBondContact O-CG 3.33Å; G259-R263 PolarHBondContact O-N 3.41Å
260E98.1Very high96Very high16 Ų1640.7 Ų40.78%0.07522%0.224CC..Hα-helixtrans-67.7-41173.4-72.3165.2143.900111.8I237 R242 V256 T257 R263 Y264I237-E260 HydrophobicContact CG2-CB 3.72Å; R242-E260 VanDerWaalsContact CG-OE1 3.23Å; R242-E260 WeakPolarHBondContact CG-OE1 3.49Å; R242-E260 IonicContact CZ-OE1 3.1Å; R242-E260 IonicContact CZ-OE2 2.8Å; R242-E260 IonicContact NE-OE1 3.29Å; R242-E260 PolarHBondContact NE-OE1 3.32Å; R242-E260 IonicContact NE-OE2 3.33Å; R242-E260 IonicContact NH2-OE1 2.59Å; R242-E260 IonicContact NH2-OE2 3.16Å; R242-E260 PolarHBondContact NH2-OE2 3.38Å; V256-E260 HydrophobicContact CG1-CB 4.26Å; T257-E260 WeakPolarHBondContact CB-OE2 3.16Å; T257-E260 PolarHBondContact N-OE2 2.6Å; T257-E260 PolarHBondContact O-N 3.31Å; T257-E260 VanDerWaalsContact O-N 3.17Å; T257-E260 WeakPolarHBondContact OG1-CB 3.33Å; T257-E260 VanDerWaalsContact OG1-CD 3.24Å; T257-E260 WeakPolarHBondContact OG1-CG 3.34Å; T257-E260 PolarHBondContact OG1-N 2.88Å; T257-E260 PolarHBondContact OG1-OE2 3.44Å; E260-R263 PolarHBondContact O-N 3.26Å; E260-Y264 PolarHBondContact O-N 3.12Å
261F98.5Very high96.2Very high0 Ų039.6 Ų39.60%021%0.21CC..Hα-helixtrans-59.9-45.5172.7174.4-118.7000111.6L215 Y219 F223 I237 V256 T257 F258 R263 Y264 L265 W277L215-F261 HydrophobicContact CD1-CE1 3.85Å; L215-F261 HydrophobicContact CD1-CZ 4.04Å; L215-F261 HydrophobicContact CG-CE1 4.12Å; Y219-F261 HydrophobicContact CD2-CB 3.7Å; Y219-F261 AromaticContact CD2-CD1 3.67Å; Y219-F261 HydrophobicContact CD2-CD1 3.67Å; Y219-F261 HydrophobicContact CD2-CE1 4.44Å; Y219-F261 AromaticContact CD2-CG 3.73Å; Y219-F261 HydrophobicContact CD2-CG 3.73Å; Y219-F261 HydrophobicContact CE2-CB 3.98Å; Y219-F261 HydrophobicContact CE2-CG 4.5Å; Y219-F261 HydrophobicContact CG-CD1 4.02Å; F223-F261 HydrophobicContact CD2-CD2 4.45Å; F223-F261 AromaticContact CE2-CD2 3.48Å; F223-F261 HydrophobicContact CE2-CD2 3.48Å; F223-F261 VanDerWaalsContact CE2-CD2 3.48Å; F223-F261 AromaticContact CE2-CE2 3.73Å; F223-F261 HydrophobicContact CE2-CE2 3.73Å; F223-F261 HydrophobicContact CE2-CG 4.09Å; F223-F261 HydrophobicContact CE2-CZ 4.5Å; F223-F261 AromaticContact CZ-CD2 3.96Å; F223-F261 HydrophobicContact CZ-CD2 3.96Å; F223-F261 HydrophobicContact CZ-CE2 4.28Å; I237-F261 HydrophobicContact CD1-CD2 4.25Å; V256-F261 HydrophobicContact CG1-CB 4.23Å; T257-F261 PolarHBondContact O-N 2.82Å; F258-F261 HydrophobicContact CD2-CD1 4.15Å; F258-F261 HydrophobicContact CE2-CD1 4.18Å; F258-F261 PolarHBondContact O-N 3.4Å; F261-R263 PolarHBondContact O-N 3.21Å; F261-Y264 VanDerWaalsContact O-CB 3.32Å; F261-Y264 WeakPolarHBondContact O-CB 3.25Å; F261-Y264 PolarHBondContact O-N 2.93Å; F261-L265 HydrophobicContact CD1-CD1 4.29Å; F261-L265 HydrophobicContact CD2-CG 4.47Å; F261-L265 HydrophobicContact CE1-CD1 3.75Å; F261-L265 HydrophobicContact CE1-CG 4.44Å; F261-L265 HydrophobicContact CE2-CD1 4.24Å; F261-L265 HydrophobicContact CE2-CD2 3.84Å; F261-L265 HydrophobicContact CE2-CG 4.11Å; F261-L265 HydrophobicContact CZ-CD1 3.73Å; F261-L265 HydrophobicContact CZ-CD2 3.99Å; F261-L265 HydrophobicContact CZ-CG 4.11Å; F261-L265 WeakPolarHBondContact O-CG 3.48Å; F261-L265 PolarHBondContact O-N 3.05Å; F261-W277 AromaticContact CE2-CD2 3.97Å; F261-W277 HydrophobicContact CE2-CD2 3.97Å; F261-W277 HydrophobicContact CE2-CE3 4.01Å; F261-W277 HydrophobicContact CE2-CG 4.32Å; F261-W277 HydrophobicContact CE2-CZ3 4.44Å; F261-W277 HydrophobicContact CZ-CB 3.96Å; F261-W277 HydrophobicContact CZ-CD2 4.06Å; F261-W277 HydrophobicContact CZ-CE3 4.08Å; F261-W277 HydrophobicContact CZ-CG 4.07Å
262V98.5Very high96.4Very high0 Ų047.5 Ų47.50%024%0.238CC..Hα-helixtrans-61.1-45.9176.4169.80000111.3F258 G259 Y264 L265 L266 L341 L345 L349F258-V262 HydrophobicContact CD1-CG2 4.34Å; F258-V262 HydrophobicContact CD2-CG2 4.48Å; F258-V262 HydrophobicContact CE1-CG2 3.99Å; F258-V262 HydrophobicContact CE2-CG2 4.14Å; F258-V262 HydrophobicContact CZ-CG2 3.88Å; F258-V262 WeakPolarHBondContact O-CG2 3.39Å; F258-V262 PolarHBondContact O-N 2.88Å; G259-V262 PolarHBondContact O-N 2.85Å; V262-Y264 VanDerWaalsContact C-N 3.27Å; V262-Y264 PolarHBondContact O-N 3.24Å; V262-L265 WeakPolarHBondContact O-CB 3.45Å; V262-L265 PolarHBondContact O-N 2.92Å; V262-L266 HydrophobicContact CG1-CD1 4.39Å; V262-L266 HydrophobicContact CG1-CG 4.38Å; V262-L266 WeakPolarHBondContact O-CG 3.47Å; V262-L266 PolarHBondContact O-N 3.45Å; V262-L341 HydrophobicContact CB-CD1 4.21Å; V262-L341 HydrophobicContact CG1-CD1 4.48Å; V262-L341 HydrophobicContact CG1-CD2 4.22Å; V262-L341 HydrophobicContact CG2-CD1 4.1Å; V262-L341 HydrophobicContact CG2-CD2 4.06Å; V262-L345 HydrophobicContact CG1-CB 3.98Å; V262-L349 HydrophobicContact CG1-CB 4.27Å; V262-L349 HydrophobicContact CG1-CD1 4.25Å; V262-L349 HydrophobicContact CG1-CD2 3.99Å; V262-L349 HydrophobicContact CG1-CG 4.41Å; V262-L349 HydrophobicContact CG2-CD2 3.98Å
263R98.1Very high96.8Very high96 Ų9644.2 Ų44.236%0.36222%0.217SC..Hα-helixtrans-56.6-42.6175.9-73.4-177.2-164.7106.7-0.2112.1Y241 G259 E260 F261 L265 L266 D267 L345Y241-R263 HydrophobicContact CD1-CB 4.29Å; Y241-R263 HydrophobicContact CE1-CB 4.09Å; G259-R263 WeakPolarHBondContact O-CG 3.33Å; G259-R263 PolarHBondContact O-N 3.41Å; E260-R263 PolarHBondContact O-N 3.26Å; F261-R263 PolarHBondContact O-N 3.21Å; R263-L265 VanDerWaalsContact C-N 3.33Å; R263-L265 PolarHBondContact O-N 3.3Å; R263-L266 WeakPolarHBondContact O-CB 3.36Å; R263-L266 PolarHBondContact O-N 2.77Å; R263-L266 VanDerWaalsContact O-N 3.14Å; R263-D267 PolarHBondContact O-N 3.19Å; R263-L345 HydrophobicContact CG-CD1 3.86Å; R263-L345 HydrophobicContact CG-CD2 3.74Å; R263-L345 HydrophobicContact CG-CG 4.49Å
264Y98.3Very high97Very high8 Ų845.3 Ų45.33%0.03122%0.223CC..Hα-helixtrans-55.6-47.7173.2176.8-105.3000112.1Y233 I237 Y241 E260 F261 V262 L266 D267 E268 W277Y233-Y264 HydrophobicContact CD1-CE1 4.34Å; Y233-Y264 WeakPolarHBondContact CD1-OH 3.49Å; I237-Y264 HydrophobicContact CD1-CD1 3.95Å; I237-Y264 HydrophobicContact CD1-CD2 4.47Å; I237-Y264 HydrophobicContact CD1-CG 3.9Å; I237-Y264 HydrophobicContact CG1-CD1 4.1Å; I237-Y264 HydrophobicContact CG1-CD2 3.72Å; I237-Y264 HydrophobicContact CG1-CE2 4.33Å; I237-Y264 HydrophobicContact CG1-CG 3.58Å; Y241-Y264 HydrophobicContact CE2-CD2 4.35Å; Y241-Y264 WeakPolarHBondContact OH-CA 3.16Å; E260-Y264 PolarHBondContact O-N 3.12Å; F261-Y264 VanDerWaalsContact O-CB 3.32Å; F261-Y264 WeakPolarHBondContact O-CB 3.25Å; F261-Y264 PolarHBondContact O-N 2.93Å; V262-Y264 VanDerWaalsContact C-N 3.27Å; V262-Y264 PolarHBondContact O-N 3.24Å; Y264-L266 VanDerWaalsContact C-N 3.29Å; Y264-L266 PolarHBondContact O-N 2.75Å; Y264-D267 PolarHBondContact O-N 2.82Å; Y264-E268 HydrophobicContact CD1-CG 4.29Å; Y264-E268 HydrophobicContact CD2-CG 4.33Å; Y264-E268 HydrophobicContact CE1-CG 3.92Å; Y264-E268 HydrophobicContact CE2-CG 3.96Å; Y264-E268 HydrophobicContact CG-CG 4.48Å; Y264-E268 VanDerWaalsContact O-CG 3.31Å; Y264-E268 WeakPolarHBondContact O-CG 3.47Å; Y264-E268 PolarHBondContact O-N 2.99Å; Y264-E268 VanDerWaalsContact O-N 3.16Å; Y264-W277 AromaticContact CE1-CZ2 3.99Å; Y264-W277 HydrophobicContact CE1-CZ2 3.99Å
265L98.2Very high97.2Very high0 Ų043.7 Ų43.70%021%0.213CC..Hα-helixtrans-63.1-34.1177.3-58.2179.8000113.4L215 F261 V262 R263 D267 E268 M273 W277 L349 K352L215-L265 HydrophobicContact CD1-CD1 3.7Å; L215-L265 HydrophobicContact CD2-CD1 3.96Å; L215-L265 HydrophobicContact CG-CD1 4.31Å; F261-L265 HydrophobicContact CD1-CD1 4.29Å; F261-L265 HydrophobicContact CD2-CG 4.47Å; F261-L265 HydrophobicContact CE1-CD1 3.75Å; F261-L265 HydrophobicContact CE1-CG 4.44Å; F261-L265 HydrophobicContact CE2-CD1 4.24Å; F261-L265 HydrophobicContact CE2-CD2 3.84Å; F261-L265 HydrophobicContact CE2-CG 4.11Å; F261-L265 HydrophobicContact CZ-CD1 3.73Å; F261-L265 HydrophobicContact CZ-CD2 3.99Å; F261-L265 HydrophobicContact CZ-CG 4.11Å; F261-L265 WeakPolarHBondContact O-CG 3.48Å; F261-L265 PolarHBondContact O-N 3.05Å; V262-L265 WeakPolarHBondContact O-CB 3.45Å; V262-L265 PolarHBondContact O-N 2.92Å; R263-L265 VanDerWaalsContact C-N 3.33Å; R263-L265 PolarHBondContact O-N 3.3Å; L265-D267 VanDerWaalsContact C-N 3.29Å; L265-D267 PolarHBondContact O-N 3.14Å; L265-E268 PolarHBondContact O-N 3.22Å; L265-M273 HydrophobicContact CB-CE 4.16Å; L265-M273 HydrophobicContact CD2-CE 4.47Å; L265-M273 WeakPolarHBondContact O-CE 3.32Å; L265-W277 HydrophobicContact CD2-CB 4.19Å; L265-W277 HydrophobicContact CD2-CD2 4.27Å; L265-W277 HydrophobicContact CD2-CG 3.64Å; L265-L349 HydrophobicContact CB-CD1 4.34Å; L265-L349 HydrophobicContact CD1-CD1 4.25Å; L265-K352 WeakPolarHBondContact O-CE 3.3Å; L265-K352 PolarHBondContact O-NZ 3.37Å; L265-K352 VanDerWaalsContact O-NZ 3.14Å
266L97.6Very high97.3Very high28 Ų2840.9 Ų40.915%0.14720%0.196CC..Hα-helixtrans-59.9-41.7176.7-65-177.7000111.6V262 R263 Y264 L345 E348 L349 K352V262-L266 HydrophobicContact CG1-CD1 4.39Å; V262-L266 HydrophobicContact CG1-CG 4.38Å; V262-L266 WeakPolarHBondContact O-CG 3.47Å; V262-L266 PolarHBondContact O-N 3.45Å; R263-L266 WeakPolarHBondContact O-CB 3.36Å; R263-L266 PolarHBondContact O-N 2.77Å; R263-L266 VanDerWaalsContact O-N 3.14Å; Y264-L266 VanDerWaalsContact C-N 3.29Å; Y264-L266 PolarHBondContact O-N 2.75Å; L266-L345 HydrophobicContact CD1-CB 4.42Å; L266-L345 HydrophobicContact CD1-CD2 3.63Å; L266-E348 HydrophobicContact CD1-CB 3.92Å; L266-E348 HydrophobicContact CD2-CB 3.8Å; L266-L349 HydrophobicContact CD2-CB 4.16Å; L266-L349 HydrophobicContact CD2-CD1 4.35Å; L266-K352 VanDerWaalsContact CA-CE 3.46Å; L266-K352 VanDerWaalsContact O-CE 3.26Å; L266-K352 WeakPolarHBondContact O-CE 3.34Å; L266-K352 PolarHBondContact O-NZ 3.12Å
267D97.3Very high97.3Very high109 Ų10940.7 Ų40.758%0.58320%0.195SC*.Hα-helixtrans-78.3-22.7-179.4-66-16.3000113.5Y241 R263 Y264 L265Y241-D267 VanDerWaalsContact CE1-OD2 3.32Å; Y241-D267 WeakPolarHBondContact CE1-OD2 3.27Å; Y241-D267 VanDerWaalsContact CZ-OD2 3.32Å; Y241-D267 PolarHBondContact OH-OD2 3.26Å; R263-D267 PolarHBondContact O-N 3.19Å; Y264-D267 PolarHBondContact O-N 2.82Å; L265-D267 VanDerWaalsContact C-N 3.29Å; L265-D267 PolarHBondContact O-N 3.14Å
268E96.4Very high97.4Very high36 Ų3637.9 Ų37.917%0.16818%0.178CC..SBendtrans-80.4140-178.8-66.9-66.9123.900112.6R240 Y264 L265 V270 M273 K352R240-E268 IonicContact CZ-OE1 3.22Å; R240-E268 IonicContact NH1-OE1 3.12Å; R240-E268 PolarHBondContact NH1-OE1 3.22Å; R240-E268 IonicContact NH2-OE1 3.11Å; Y264-E268 HydrophobicContact CD1-CG 4.29Å; Y264-E268 HydrophobicContact CD2-CG 4.33Å; Y264-E268 HydrophobicContact CE1-CG 3.92Å; Y264-E268 HydrophobicContact CE2-CG 3.96Å; Y264-E268 HydrophobicContact CG-CG 4.48Å; Y264-E268 VanDerWaalsContact O-CG 3.31Å; Y264-E268 WeakPolarHBondContact O-CG 3.47Å; Y264-E268 PolarHBondContact O-N 2.99Å; Y264-E268 VanDerWaalsContact O-N 3.16Å; L265-E268 PolarHBondContact O-N 3.22Å; E268-V270 PolarHBondContact O-N 2.93Å; E268-M273 HydrophobicContact CB-CE 4.06Å; E268-M273 HydrophobicContact CB-CG 4.1Å; E268-K352 PolarHBondContact O-NZ 3.19Å
269D95.6Very high97.4Very high82 Ų8237.4 Ų37.444%0.43918%0.176SC..  trans-66.5127.2166.6176.55.8000109.5E271 R272 M273D269-E271 PolarHBondContact O-N 3.22Å; D269-E271 PolarHBondContact OD1-N 3.4Å; D269-E271 VanDerWaalsContact OD1-N 3.09Å; D269-R272 HydrophobicContact CB-CB 4.34Å; D269-R272 HydrophobicContact CB-CG 4.35Å; D269-R272 CarbonylContact O-C 2.99Å; D269-R272 PolarHBondContact O-N 3.5Å; D269-M273 WeakPolarHBondContact O-CG 3.37Å; D269-M273 PolarHBondContact O-N 3.02Å; D269-M273 VanDerWaalsContact O-N 3.09Å
270V95Very high97.4Very high29 Ų2936.8 Ų36.818%0.17617%0.169CC..G310 helixtrans-55.7-36.4-177.8177.80000111.7E268 R272 M273 M278 P279 N282 K352E268-V270 PolarHBondContact O-N 2.93Å; V270-R272 PolarHBondContact O-N 3.06Å; V270-M273 HydrophobicContact CG2-CE 4.23Å; V270-M278 WeakPolarHBondContact O-CE 3.23Å; V270-P279 HydrophobicContact CG1-CG 3.61Å; V270-N282 HydrophobicContact CG1-CB 4.49Å; V270-N282 WeakPolarHBondContact CG1-OD1 3.48Å; V270-K352 HydrophobicContact CG2-CB 4.36Å; V270-K352 HydrophobicContact CG2-CD 4.1Å; V270-K352 HydrophobicContact CG2-CG 4.25Å
271E94.7Very high97.4Very high57 Ų5737 Ų3727%0.26617%0.17SC..G310 helixtrans-72.5-15.3179.8-59.1-162.2160.900113.7L128 Q129 D269 M278L128-E271 HydrophobicContact CD2-CB 3.79Å; Q129-E271 WeakPolarHBondContact CG-OE1 3.44Å; Q129-E271 PolarHBondContact NE2-OE1 3.34Å; D269-E271 PolarHBondContact O-N 3.22Å; D269-E271 PolarHBondContact OD1-N 3.4Å; D269-E271 VanDerWaalsContact OD1-N 3.09Å; E271-M278 WeakPolarHBondContact O-CE 3.22Å
272R95.2Very high97.4Very high187 Ų18738 Ų3871%0.70618%0.175SC*.G310 helixtrans-110.5-3.7-178.3-62-175.9175.5-159.8-1.6113.7L128 D269 V270L128-R272 HydrophobicContact CD2-CG 4.23Å; D269-R272 HydrophobicContact CB-CB 4.34Å; D269-R272 HydrophobicContact CB-CG 4.35Å; D269-R272 CarbonylContact O-C 2.99Å; D269-R272 PolarHBondContact O-N 3.5Å; V270-R272 PolarHBondContact O-N 3.06Å
273M97.1Very high97.4Very high9 Ų938 Ų384%0.04418%0.175CC..SBendtrans-56.4151.7175.8-74.9-173.9177.400111.8L265 E268 D269 V270 M278 K352L265-M273 HydrophobicContact CB-CE 4.16Å; L265-M273 HydrophobicContact CD2-CE 4.47Å; L265-M273 WeakPolarHBondContact O-CE 3.32Å; E268-M273 HydrophobicContact CB-CE 4.06Å; E268-M273 HydrophobicContact CB-CG 4.1Å; D269-M273 WeakPolarHBondContact O-CG 3.37Å; D269-M273 PolarHBondContact O-N 3.02Å; D269-M273 VanDerWaalsContact O-N 3.09Å; V270-M273 HydrophobicContact CG2-CE 4.23Å; M273-M278 HydrophobicContact CB-CB 4.04Å; M273-M278 HydrophobicContact CB-CE 4.42Å; M273-M278 VanDerWaalsContact O-CE 3.25Å; M273-M278 WeakPolarHBondContact O-CE 3.44Å; M273-K352 HydrophobicContact CE-CD 3.8Å
274N98.1Very high97.4Very high23 Ų2333.4 Ų33.412%0.12316%0.158CC..  trans-63.3143.5170-176.5-80.7000110.3Y233 H276 W277 M278Y233-N274 PolarHBondContact OH-ND2 3.24Å; Y233-N274 VanDerWaalsContact OH-ND2 3.12Å; N274-H276 PolarHBondContact O-N 2.72Å; N274-H276 WeakPolarHBondContact OD1-CB 3.43Å; N274-H276 PolarHBondContact OD1-CD2 3.05Å; N274-H276 PolarHBondContact OD1-N 2.97Å; N274-W277 HydrophobicContact CB-CD2 3.85Å; N274-W277 HydrophobicContact CB-CE3 4.17Å; N274-W277 HydrophobicContact CB-CH2 3.56Å; N274-W277 HydrophobicContact CB-CZ2 3.2Å; N274-W277 HydrophobicContact CB-CZ3 4.03Å; N274-W277 PolarHBondContact O-N 3.21Å; N274-M278 WeakPolarHBondContact O-CB 3.43Å; N274-M278 PolarHBondContact O-N 3.44Å
275E97.8Very high97.4Very high54 Ų5433.1 Ų33.125%0.25216%0.156SC..THydrogen-bonded Turntrans-52-29.2-178.265.6-178.2138.300114.1H136 Y149 P151 R214 W277 L283H136-E275 IonicContact NE2-OE2 3.32Å; H136-E275 PolarHBondContact NE2-OE2 3.04Å; Y149-E275 WeakPolarHBondContact CE2-OE2 3.2Å; Y149-E275 PolarHBondContact OH-OE2 3.01Å; P151-E275 HydrophobicContact CG-CB 4.22Å; P151-E275 HydrophobicContact CG-CG 4.06Å; R214-E275 PolarHBondContact NH2-O 3.43Å; E275-W277 VanDerWaalsContact C-N 3.32Å; E275-W277 PolarHBondContact O-N 3.48Å; E275-L283 HydrophobicContact CB-CD2 4.11Å
276H97.9Very high97.4Very high28 Ų2833.4 Ų33.413%0.1316%0.159CC..THydrogen-bonded Turntrans-71.6-23.9-177.5-69.6-63.7000114.3P151 R214 A218 K222 Y229 N274P151-H276 VanDerWaalsContact CB-ND1 3.33Å; P151-H276 WeakPolarHBondContact CB-ND1 3.44Å; R214-H276 PolarHBondContact NH2-O 2.84Å; A218-H276 HydrophobicContact CB-CB 4.32Å; A218-H276 WeakPolarHBondContact CB-O 3.19Å; K222-H276 WeakPolarHBondContact CE-CD2 3.47Å; K222-H276 VanDerWaalsContact CE-CG 3.41Å; K222-H276 WeakPolarHBondContact CE-NE2 3.41Å; K222-H276 PolarHBondContact NZ-CD2 2.75Å; K222-H276 PolarHBondContact NZ-CE1 2.04Å; K222-H276 PolarHBondContact NZ-NE2 3.39Å; Y229-H276 AromaticContact CE1-CD2 3.8Å; Y229-H276 AromaticContact CZ-CD2 3.64Å; Y229-H276 AromaticContact CZ-NE2 3.88Å; Y229-H276 PolarHBondContact OH-CD2 3.05Å; Y229-H276 PolarHBondContact OH-NE2 2.92Å; N274-H276 PolarHBondContact O-N 2.72Å; N274-H276 WeakPolarHBondContact OD1-CB 3.43Å; N274-H276 PolarHBondContact OD1-CD2 3.05Å; N274-H276 PolarHBondContact OD1-N 2.97Å
277W98.1Very high97.4Very high1 Ų132.7 Ų32.70%0.00416%0.156CC..THydrogen-bonded Turntrans-125.9-6.1177.952.280.3000113.6L215 K222 Y229 Y233 F261 Y264 L265 N274 E275 Y353L215-W277 HydrophobicContact CD1-CB 3.58Å; K222-W277 HydrophobicContact CG-CZ3 4.45Å; Y229-W277 HydrophobicContact CD1-CH2 4.32Å; Y229-W277 HydrophobicContact CD1-CZ3 4.17Å; Y229-W277 HydrophobicContact CE1-CH2 4.36Å; Y229-W277 HydrophobicContact CE1-CZ3 4.18Å; Y233-W277 AromaticContact CD1-CH2 3.89Å; Y233-W277 HydrophobicContact CD1-CH2 3.89Å; Y233-W277 AromaticContact CD1-CZ2 3.85Å; Y233-W277 HydrophobicContact CD1-CZ2 3.85Å; Y233-W277 AromaticContact CD2-CH2 3.82Å; Y233-W277 HydrophobicContact CD2-CH2 3.82Å; Y233-W277 HydrophobicContact CE1-CH2 4.07Å; Y233-W277 AromaticContact CE1-CZ2 3.85Å; Y233-W277 HydrophobicContact CE1-CZ2 3.85Å; Y233-W277 AromaticContact CE2-CH2 4Å; Y233-W277 HydrophobicContact CE2-CH2 4Å; Y233-W277 AromaticContact CG-CH2 3.75Å; Y233-W277 HydrophobicContact CG-CH2 3.75Å; Y233-W277 HydrophobicContact CG-CZ2 4.21Å; F261-W277 AromaticContact CE2-CD2 3.97Å; F261-W277 HydrophobicContact CE2-CD2 3.97Å; F261-W277 HydrophobicContact CE2-CE3 4.01Å; F261-W277 HydrophobicContact CE2-CG 4.32Å; F261-W277 HydrophobicContact CE2-CZ3 4.44Å; F261-W277 HydrophobicContact CZ-CB 3.96Å; F261-W277 HydrophobicContact CZ-CD2 4.06Å; F261-W277 HydrophobicContact CZ-CE3 4.08Å; F261-W277 HydrophobicContact CZ-CG 4.07Å; Y264-W277 AromaticContact CE1-CZ2 3.99Å; Y264-W277 HydrophobicContact CE1-CZ2 3.99Å; L265-W277 HydrophobicContact CD2-CB 4.19Å; L265-W277 HydrophobicContact CD2-CD2 4.27Å; L265-W277 HydrophobicContact CD2-CG 3.64Å; N274-W277 HydrophobicContact CB-CD2 3.85Å; N274-W277 HydrophobicContact CB-CE3 4.17Å; N274-W277 HydrophobicContact CB-CH2 3.56Å; N274-W277 HydrophobicContact CB-CZ2 3.2Å; N274-W277 HydrophobicContact CB-CZ3 4.03Å; N274-W277 PolarHBondContact O-N 3.21Å; E275-W277 VanDerWaalsContact C-N 3.32Å; E275-W277 PolarHBondContact O-N 3.48Å; W277-Y353 VanDerWaalsContact O-CE1 3.26Å; W277-Y353 WeakPolarHBondContact O-CE1 3.15Å; W277-Y353 PolarHBondContact O-OH 3.5Å
278M98.6Very high97.4Very high7 Ų728 Ų283%0.03413%0.132CC..SBendtrans-54.3141.3167.8-178.3178.1-79.800110.8T132 R214 V270 E271 M273 N274 N282 L283T132-M278 HydrophobicContact CG2-CE 4.42Å; T132-M278 HydrophobicContact CG2-SD 3.79Å; R214-M278 VanDerWaalsContact CZ-O 3.23Å; R214-M278 PolarHBondContact NH1-O 3.11Å; R214-M278 VanDerWaalsContact NH1-O 3.11Å; R214-M278 PolarHBondContact NH2-O 3.1Å; V270-M278 WeakPolarHBondContact O-CE 3.23Å; E271-M278 WeakPolarHBondContact O-CE 3.22Å; M273-M278 HydrophobicContact CB-CB 4.04Å; M273-M278 HydrophobicContact CB-CE 4.42Å; M273-M278 VanDerWaalsContact O-CE 3.25Å; M273-M278 WeakPolarHBondContact O-CE 3.44Å; N274-M278 WeakPolarHBondContact O-CB 3.43Å; N274-M278 PolarHBondContact O-N 3.44Å; M278-N282 HydrophobicContact CG-CB 3.65Å; M278-N282 HydrophobicContact SD-CB 3.81Å; M278-L283 HydrophobicContact CB-CD2 4.1Å; M278-L283 HydrophobicContact CB-CG 4.21Å; M278-L283 HydrophobicContact CG-CD2 4.09Å; M278-L283 HydrophobicContact CG-CG 4.05Å; M278-L283 HydrophobicContact SD-CD2 3.53Å; M278-L283 VanDerWaalsContact SD-CD2 3.53Å; M278-L283 HydrophobicContact SD-CG 3.95Å
279P98.6Very high97.5Very high2 Ų226.5 Ų26.51%0.01313%0.125CC..  trans-57.3147.5174.2-24.334000112.6V270 Y281 N282 L283 K352 Y353 D356V270-P279 HydrophobicContact CG1-CG 3.61Å; P279-Y281 VanDerWaalsContact C-N 3.29Å; P279-Y281 PolarHBondContact O-N 3.17Å; P279-N282 PolarHBondContact O-N 3.3Å; P279-N282 VanDerWaalsContact O-N 3.09Å; P279-L283 WeakPolarHBondContact O-CG 3.09Å; P279-L283 PolarHBondContact O-N 2.95Å; P279-K352 WeakPolarHBondContact CG-O 3.23Å; P279-Y353 HydrophobicContact CB-CD1 3.92Å; P279-Y353 HydrophobicContact CB-CE1 4.22Å; P279-Y353 HydrophobicContact CG-CD1 3.77Å; P279-Y353 HydrophobicContact CG-CE1 3.78Å; P279-Y353 HydrophobicContact CG-CG 4.44Å; P279-D356 VanDerWaalsContact CA-OD2 3.3Å; P279-D356 WeakPolarHBondContact CA-OD2 3.39Å; P279-D356 WeakPolarHBondContact CB-OD2 3.43Å
280I98.6Very high97.5Very high0 Ų026.8 Ų26.80%013%0.133CC..Hα-helixtrans-61.8-39.7-178.5-54.9179000110.9V150 M206 V208 N282 L283 C284 D356 F360V150-I280 HydrophobicContact CG1-CB 4.42Å; V150-I280 HydrophobicContact CG1-CD1 4.23Å; V150-I280 HydrophobicContact CG1-CG1 3.79Å; V150-I280 HydrophobicContact CG1-CG2 4.15Å; V150-I280 HydrophobicContact CG2-CG2 3.78Å; M206-I280 HydrophobicContact CE-CG2 3.45Å; M206-I280 VanDerWaalsContact CE-CG2 3.45Å; V208-I280 HydrophobicContact CB-CD1 4.32Å; V208-I280 HydrophobicContact CG1-CG2 4.15Å; I280-N282 VanDerWaalsContact C-N 3.28Å; I280-N282 PolarHBondContact O-N 3.16Å; I280-L283 PolarHBondContact O-N 3.23Å; I280-C284 PolarHBondContact O-N 3.05Å; I280-D356 VanDerWaalsContact N-CG 3.28Å; I280-D356 PolarHBondContact N-OD1 3.26Å; I280-D356 VanDerWaalsContact N-OD1 3.08Å; I280-D356 PolarHBondContact N-OD2 2.91Å; I280-F360 HydrophobicContact CB-CE2 3.82Å; I280-F360 HydrophobicContact CG2-CE2 3.65Å; I280-F360 HydrophobicContact CG2-CZ 3.96Å
281Y98.1Very high97.7Very high21 Ų2126.6 Ų26.68%0.08213%0.13CC..Hα-helixtrans-53.1-46.3172.7172.3-96.5000111.7M118 P279 L283 Q285 P286 L355 D356 L359M118-Y281 HydrophobicContact CE-CE2 3.83Å; M118-Y281 VanDerWaalsContact CE-OH 3.28Å; M118-Y281 WeakPolarHBondContact CE-OH 3.22Å; P279-Y281 VanDerWaalsContact C-N 3.29Å; P279-Y281 PolarHBondContact O-N 3.17Å; Y281-L283 PolarHBondContact O-N 2.9Å; Y281-Q285 VanDerWaalsContact O-CA 3.27Å; Y281-Q285 WeakPolarHBondContact O-CA 3.39Å; Y281-Q285 PolarHBondContact O-N 3.33Å; Y281-P286 HydrophobicContact CD2-CG 4.07Å; Y281-L355 HydrophobicContact CD1-CB 4.48Å; Y281-L355 HydrophobicContact CD1-CD1 3.56Å; Y281-L355 HydrophobicContact CD2-CB 4.39Å; Y281-L355 HydrophobicContact CD2-CD1 4.13Å; Y281-L355 HydrophobicContact CE1-CD1 3.63Å; Y281-L355 HydrophobicContact CE2-CD1 4.17Å; Y281-L355 HydrophobicContact CG-CB 4.04Å; Y281-L355 HydrophobicContact CG-CD1 3.83Å; Y281-D356 WeakPolarHBondContact CB-OD1 3.42Å; Y281-D356 PolarHBondContact N-OD1 3.49Å; Y281-L359 HydrophobicContact CD2-CD1 3.42Å; Y281-L359 VanDerWaalsContact CD2-CD1 3.42Å; Y281-L359 HydrophobicContact CE2-CD1 3.98Å; Y281-L359 HydrophobicContact CG-CD1 4.35Å
282N98.2Very high97.8Very high21 Ų2128.1 Ų28.111%0.11214%0.14CC..Hα-helixtrans-69-35.3-178.1-71.579.1000112.4V270 M278 P279 I280 Q285V270-N282 HydrophobicContact CG1-CB 4.49Å; V270-N282 WeakPolarHBondContact CG1-OD1 3.48Å; M278-N282 HydrophobicContact CG-CB 3.65Å; M278-N282 HydrophobicContact SD-CB 3.81Å; P279-N282 PolarHBondContact O-N 3.3Å; P279-N282 VanDerWaalsContact O-N 3.09Å; I280-N282 VanDerWaalsContact C-N 3.28Å; I280-N282 PolarHBondContact O-N 3.16Å; N282-Q285 PolarHBondContact O-NE2 2.99Å
283L98.6Very high98Very high0 Ų020.1 Ų20.10%011%0.11CC..Hα-helixtrans-69-44.6178-66.2169.4000112.4T132 V133 H136 V150 E275 M278 P279 I280 Y281T132-L283 HydrophobicContact CG2-CD2 4.39Å; V133-L283 WeakPolarHBondContact CA-O 3.45Å; H136-L283 WeakPolarHBondContact NE2-CD2 3.34Å; V150-L283 HydrophobicContact CG1-CD1 4.1Å; E275-L283 HydrophobicContact CB-CD2 4.11Å; M278-L283 HydrophobicContact CB-CD2 4.1Å; M278-L283 HydrophobicContact CB-CG 4.21Å; M278-L283 HydrophobicContact CG-CD2 4.09Å; M278-L283 HydrophobicContact CG-CG 4.05Å; M278-L283 HydrophobicContact SD-CD2 3.53Å; M278-L283 VanDerWaalsContact SD-CD2 3.53Å; M278-L283 HydrophobicContact SD-CG 3.95Å; P279-L283 WeakPolarHBondContact O-CG 3.09Å; P279-L283 PolarHBondContact O-N 2.95Å; I280-L283 PolarHBondContact O-N 3.23Å; Y281-L283 PolarHBondContact O-N 2.9Å
284C98.5Very high98Very high0 Ų020 Ų200%011%0.109CC..Hα-helixtrans-115.1-11.9-166.6-70.50000115.5C148 M206 I280 Y291C148-C284 HydrophobicContact CB-CB 3.92Å; C148-C284 WeakPolarHBondContact CB-SG 3.37Å; C148-C284 WeakPolarHBondContact SG-CA 3.33Å; C148-C284 WeakPolarHBondContact SG-CB 3.18Å; C148-C284 CovalentContact SG-SG 2.04Å; C148-C284 PolarHBondContact SG-SG 3.39Å; M206-C284 HydrophobicContact CE-CB 3.56Å; M206-C284 HydrophobicContact SD-CB 3.82Å; I280-C284 PolarHBondContact O-N 3.05Å; C284-Y291 HydrophobicContact CB-CE2 4.39Å; C284-Y291 WeakPolarHBondContact CB-OH 3.13Å; C284-Y291 WeakPolarHBondContact O-CE2 3.32Å; C284-Y291 PolarHBondContact O-OH 2.73Å
285Q98Very high98Very high1 Ų118.9 Ų18.91%0.00510%0.104CC..  trans44.963173.7-61.5-72.3-22.600113.7L125 V133 Y281 N282 C287 A288 V289L125-Q285 HydrophobicContact CD1-CB 4.2Å; L125-Q285 HydrophobicContact CD1-CG 3.88Å; L125-Q285 HydrophobicContact CD2-CG 4.22Å; V133-Q285 HydrophobicContact CB-CG 4.18Å; V133-Q285 HydrophobicContact CG2-CB 4.22Å; V133-Q285 HydrophobicContact CG2-CG 4.39Å; Y281-Q285 VanDerWaalsContact O-CA 3.27Å; Y281-Q285 WeakPolarHBondContact O-CA 3.39Å; Y281-Q285 PolarHBondContact O-N 3.33Å; N282-Q285 PolarHBondContact O-NE2 2.99Å; Q285-C287 PolarHBondContact O-N 2.77Å; Q285-A288 HydrophobicContact CB-CB 3.9Å; Q285-A288 PolarHBondContact O-N 2.81Å; Q285-V289 PolarHBondContact O-N 3.31Å
286P97.3Very high97.9Very high7 Ų716.3 Ų16.35%0.0459%0.092CC..THydrogen-bonded Turntrans-62.8-12.1-173.527.7-37.4000115.4Y281 V289 Y291 L359 F360Y281-P286 HydrophobicContact CD2-CG 4.07Å; P286-V289 CarbonylContact C-O 3.48Å; P286-V289 VanDerWaalsContact O-O 3.05Å; P286-Y291 HydrophobicContact CB-CD2 4.13Å; P286-Y291 HydrophobicContact CB-CE2 4.21Å; P286-L359 HydrophobicContact CG-CD1 4.07Å; P286-F360 HydrophobicContact CG-CE1 4.35Å; P286-F360 HydrophobicContact CG-CZ 4.09Å
287C97.1Very high97.8Very high13 Ų1316.9 Ų16.99%0.0889%0.093CC..THydrogen-bonded Turntrans-84.4-34.6169.5-58.20000112.9C113 M118 P119 Q285C113-C287 WeakPolarHBondContact CA-SG 3.06Å; C113-C287 HydrophobicContact CB-CB 3.51Å; C113-C287 WeakPolarHBondContact CB-SG 3.44Å; C113-C287 WeakPolarHBondContact SG-CA 3.34Å; C113-C287 WeakPolarHBondContact SG-CB 3.26Å; C113-C287 CovalentContact SG-SG 2.04Å; C113-C287 PolarHBondContact SG-SG 3.41Å; M118-C287 HydrophobicContact CB-CB 4.35Å; M118-C287 HydrophobicContact CE-CB 4.24Å; M118-C287 WeakPolarHBondContact CE-SG 3.41Å; P119-C287 HydrophobicContact CG-CB 4.29Å; P119-C287 CarbonylContact O-C 3.55Å; P119-C287 VanDerWaalsContact O-CB 3.26Å; P119-C287 WeakPolarHBondContact O-CB 3.49Å; Q285-C287 PolarHBondContact O-N 2.77Å
288A97.9Very high97.6Very high10 Ų1021.1 Ų21.18%0.08311%0.113CC..THydrogen-bonded Turntrans-82.7-23.3178.500000112.9P119 V122 L125 Q285P119-A288 HydrophobicContact CB-CB 4.11Å; P119-A288 HydrophobicContact CG-CB 4.24Å; P119-A288 PolarHBondContact O-N 3.27Å; V122-A288 PolarHBondContact N-O 3.12Å; L125-A288 HydrophobicContact CD1-CB 3.91Å; L125-A288 HydrophobicContact CD2-CB 4.09Å; L125-A288 HydrophobicContact CG-CB 4.02Å; Q285-A288 HydrophobicContact CB-CB 3.9Å; Q285-A288 PolarHBondContact O-N 2.81Å
289V98.2Very high97.4Very high4 Ų423 Ų232%0.02412%0.121CC..SBendtrans-121.8111.2178.8-178.20000108.7V122 V133 I137 L199 K204 Q285 P286 Y291V122-V289 HydrophobicContact CG1-CG2 3.59Å; V133-V289 HydrophobicContact CG2-CG2 4.06Å; I137-V289 HydrophobicContact CD1-CG1 4.42Å; I137-V289 HydrophobicContact CD1-CG2 4.08Å; L199-V289 HydrophobicContact CD2-CG1 4.21Å; K204-V289 HydrophobicContact CD-CG1 4.21Å; Q285-V289 PolarHBondContact O-N 3.31Å; P286-V289 CarbonylContact C-O 3.48Å; P286-V289 VanDerWaalsContact O-O 3.05Å; V289-Y291 HydrophobicContact CB-CD2 4.36Å; V289-Y291 HydrophobicContact CB-CE2 3.71Å; V289-Y291 HydrophobicContact CG1-CD1 4.38Å; V289-Y291 HydrophobicContact CG1-CD2 4.24Å; V289-Y291 HydrophobicContact CG1-CE1 3.93Å; V289-Y291 HydrophobicContact CG1-CE2 3.78Å; V289-Y291 WeakPolarHBondContact O-CD2 3.16Å; V289-Y291 WeakPolarHBondContact O-CE2 3.5Å; V289-Y291 PolarHBondContact O-N 3.31Å
290S96.2Very high97.1Very high88 Ų8824.1 Ų24.162%0.61513%0.127SC*.  trans-76.195.7176.1-177.60000110.2K204K204-S290 WeakPolarHBondContact CD-O 3.24Å; K204-S290 VanDerWaalsContact CE-O 3.24Å; K204-S290 WeakPolarHBondContact CE-O 3.38Å; K204-S290 PolarHBondContact NZ-O 3.41Å
291Y98.3Very high96.8Very high26 Ų2626.8 Ų26.810%0.10216%0.155CC..  trans-73.5134.8174.3-65.5-81.4000110.8C148 K204 M206 C284 P286 V289C148-Y291 HydrophobicContact CB-CE1 3.7Å; C148-Y291 WeakPolarHBondContact CB-OH 3.17Å; K204-Y291 HydrophobicContact CB-CD1 4.03Å; M206-Y291 HydrophobicContact CB-CD1 4.16Å; M206-Y291 HydrophobicContact CB-CE1 4Å; M206-Y291 HydrophobicContact CG-CD1 3.99Å; M206-Y291 HydrophobicContact CG-CD2 4.38Å; M206-Y291 HydrophobicContact CG-CE1 4.13Å; M206-Y291 HydrophobicContact CG-CG 4.14Å; M206-Y291 HydrophobicContact SD-CD1 4.32Å; M206-Y291 HydrophobicContact SD-CD2 3.79Å; M206-Y291 HydrophobicContact SD-CE1 4.18Å; M206-Y291 HydrophobicContact SD-CE2 3.62Å; M206-Y291 HydrophobicContact SD-CG 4.16Å; C284-Y291 HydrophobicContact CB-CE2 4.39Å; C284-Y291 WeakPolarHBondContact CB-OH 3.13Å; C284-Y291 WeakPolarHBondContact O-CE2 3.32Å; C284-Y291 PolarHBondContact O-OH 2.73Å; P286-Y291 HydrophobicContact CB-CD2 4.13Å; P286-Y291 HydrophobicContact CB-CE2 4.21Å; V289-Y291 HydrophobicContact CB-CD2 4.36Å; V289-Y291 HydrophobicContact CB-CE2 3.71Å; V289-Y291 HydrophobicContact CG1-CD1 4.38Å; V289-Y291 HydrophobicContact CG1-CD2 4.24Å; V289-Y291 HydrophobicContact CG1-CE1 3.93Å; V289-Y291 HydrophobicContact CG1-CE2 3.78Å; V289-Y291 WeakPolarHBondContact O-CD2 3.16Å; V289-Y291 WeakPolarHBondContact O-CE2 3.5Å; V289-Y291 PolarHBondContact O-N 3.31Å
292N97.9Very high96.6Very high88 Ų8829.9 Ų29.947%0.47117%0.166SC..SBendtrans-79.7-26.9174.5-61.3103.4000112.1F203 K204F203-N292 HydrophobicContact CD2-CB 3.52Å; F203-N292 HydrophobicContact CE2-CB 3.37Å; F203-N292 HydrophobicContact CG-CB 4.49Å; F203-N292 HydrophobicContact CZ-CB 4.26Å; K204-N292 PolarHBondContact N-OD1 3.49Å; K204-N292 WeakPolarHBondContact O-CA 3.39Å; K204-N292 WeakPolarHBondContact O-CB 3.42Å; K204-N292 PolarHBondContact O-N 3.05Å
293F98Very high96.6Very high20 Ų2029 Ų299%0.08816%0.162CC..EExtended strand (participates in β ladder)trans-147.4138.8177.8-177-108.2000111.6F203 K204 F205 M206 F207 D303 Y306 V307F203-F293 HydrophobicContact CE2-CB 4.39Å; F203-F293 HydrophobicContact CZ-CB 3.75Å; K204-F293 PolarHBondContact O-N 3.47Å; F205-F293 WeakPolarHBondContact CA-O 3.45Å; F205-F293 HydrophobicContact CB-CB 4.14Å; F205-F293 HydrophobicContact CB-CD1 4.44Å; F205-F293 WeakPolarHBondContact CB-O 3.36Å; M206-F293 PolarHBondContact N-O 3.33Å; F207-F293 HydrophobicContact CZ-CE1 4.33Å; F293-D303 HydrophobicContact CE1-CB 4Å; F293-D303 HydrophobicContact CZ-CB 3.87Å; F293-Y306 HydrophobicContact CB-CE1 4.3Å; F293-Y306 HydrophobicContact CD1-CD1 4.17Å; F293-Y306 HydrophobicContact CD1-CE1 4.39Å; F293-Y306 AromaticContact CD2-CD1 3.77Å; F293-Y306 HydrophobicContact CD2-CD1 3.77Å; F293-Y306 AromaticContact CD2-CE1 3.47Å; F293-Y306 HydrophobicContact CD2-CE1 3.47Å; F293-Y306 VanDerWaalsContact CD2-CE1 3.47Å; F293-Y306 HydrophobicContact CE1-CD1 4.05Å; F293-Y306 AromaticContact CE2-CD1 3.65Å; F293-Y306 HydrophobicContact CE2-CD1 3.65Å; F293-Y306 AromaticContact CE2-CE1 3.78Å; F293-Y306 HydrophobicContact CE2-CE1 3.78Å; F293-Y306 HydrophobicContact CG-CD1 4.02Å; F293-Y306 AromaticContact CG-CE1 3.8Å; F293-Y306 HydrophobicContact CG-CE1 3.8Å; F293-Y306 AromaticContact CZ-CD1 3.79Å; F293-Y306 HydrophobicContact CZ-CD1 3.79Å; F293-Y306 HydrophobicContact CZ-CE1 4.35Å; F293-V307 HydrophobicContact CD1-CG2 3.35Å; F293-V307 HydrophobicContact CE1-CG2 3.62Å; F293-V307 HydrophobicContact CG-CG2 4.31Å
294I98.1Very high96.5Very high5 Ų529 Ų293%0.02616%0.162CC..EExtended strand (participates in β ladder)trans-126.899.6174.4-58.7176.1000107.7Q102 R105 I109 M206 V208 F360Q102-I294 PolarHBondContact NE2-O 3.03Å; Q102-I294 PolarHBondContact OE1-O 3.28Å; R105-I294 PolarHBondContact NH1-O 3.34Å; I109-I294 HydrophobicContact CD1-CD1 3.27Å; M206-I294 HydrophobicContact CG-CB 4.42Å; M206-I294 HydrophobicContact CG-CG1 3.92Å; M206-I294 HydrophobicContact CG-CG2 4.11Å; M206-I294 CarbonylContact O-C 3.56Å; M206-I294 WeakPolarHBondContact O-CA 3.32Å; M206-I294 HydrophobicContact SD-CG1 4.47Å; V208-I294 HydrophobicContact CG1-CG2 3.71Å; V208-I294 HydrophobicContact CG2-CG2 4Å; I294-F360 HydrophobicContact CD1-CE1 4.31Å; I294-F360 HydrophobicContact CG2-CD1 4.26Å; I294-F360 HydrophobicContact CG2-CE1 4.41Å
295G97.3Very high96.4Very high0 Ų032.9 Ų32.90%018%0.18CC..EExtended strand (participates in β ladder)trans-80.9167.2177.200000112.3M206 F207 V208 D303M206-G295 PolarHBondContact O-N 3.48Å; F207-G295 CarbonylContact C-O 3.58Å; F207-G295 VanDerWaalsContact CA-O 3.31Å; F207-G295 WeakPolarHBondContact CA-O 3.29Å; V208-G295 VanDerWaalsContact CG2-O 3.25Å; V208-G295 WeakPolarHBondContact CG2-O 3.24Å; V208-G295 PolarHBondContact N-O 3.33Å; G295-D303 WeakPolarHBondContact CA-OD2 3.35Å
296S96.4Very high96.3Very high0 Ų038 Ų380%020%0.2CC..EExtended strand (participates in β ladder)trans-120.1147.3179.6-31.90000111.5R105 V208 E298 Q299 L300 D303R105-S296 PolarHBondContact NH1-OG 2.85Å; R105-S296 PolarHBondContact NH2-OG 2.69Å; V208-S296 CarbonylContact O-C 3.42Å; V208-S296 WeakPolarHBondContact O-CA 3.4Å; S296-E298 VanDerWaalsContact CB-OE2 3.25Å; S296-E298 WeakPolarHBondContact CB-OE2 3.37Å; S296-E298 PolarHBondContact O-N 3.06Å; S296-Q299 CarbonylContact O-C 3.45Å; S296-Q299 PolarHBondContact O-N 2.99Å; S296-Q299 VanDerWaalsContact O-N 3.08Å; S296-L300 PolarHBondContact O-N 3.09Å; S296-D303 PolarHBondContact N-OD2 2.94Å
297Y95.6Very high96.4Very high41 Ų4137.6 Ų37.616%0.16120%0.197CC..G310 helixtrans-60-36.8178-173.1-97.3000111.7V153 A154 V208 R209 Q299 L300V153-Y297 HydrophobicContact CG1-CD2 4.21Å; A154-Y297 HydrophobicContact CB-CD2 4.42Å; A154-Y297 HydrophobicContact CB-CE2 4.15Å; V208-Y297 PolarHBondContact O-N 3.49Å; R209-Y297 HydrophobicContact CB-CG 4.37Å; R209-Y297 HydrophobicContact CG-CD1 4.23Å; R209-Y297 HydrophobicContact CG-CG 4.03Å; Y297-Q299 PolarHBondContact O-N 2.96Å; Y297-L300 HydrophobicContact CD2-CD1 3.43Å; Y297-L300 VanDerWaalsContact CD2-CD1 3.43Å; Y297-L300 HydrophobicContact CD2-CG 4.2Å; Y297-L300 HydrophobicContact CE2-CD1 3.47Å; Y297-L300 VanDerWaalsContact CE2-CD1 3.47Å; Y297-L300 HydrophobicContact CG-CD1 4.04Å; Y297-L300 WeakPolarHBondContact O-CD1 3.29Å; Y297-L300 VanDerWaalsContact O-CG 3.23Å; Y297-L300 WeakPolarHBondContact O-CG 3.22Å; Y297-L300 PolarHBondContact O-N 3.41Å
298E93.8Very high96.4Very high89 Ų8937.2 Ų37.242%0.41619%0.194SC..G310 helixtrans-65.9-18.6-179.5-57.775.4-165.500111.6E210 S296 Y362E210-E298 PolarHBondContact N-OE1 3.32Å; S296-E298 VanDerWaalsContact CB-OE2 3.25Å; S296-E298 WeakPolarHBondContact CB-OE2 3.37Å; S296-E298 PolarHBondContact O-N 3.06Å; E298-Y362 PolarHBondContact OE2-OH 2.88Å; E298-Y362 VanDerWaalsContact OE2-OH 3.13Å
299Q93.9Very high96.4Very high46 Ų4642.9 Ų42.922%0.21522%0.219CC..G310 helixtrans-126.324.9-176.4-65.4173.895.800111.7S98 S296 Y297 G301 R302 D303S98-Q299 PolarHBondContact OG-OE1 3.34Å; S296-Q299 CarbonylContact O-C 3.45Å; S296-Q299 PolarHBondContact O-N 2.99Å; S296-Q299 VanDerWaalsContact O-N 3.08Å; Y297-Q299 PolarHBondContact O-N 2.96Å; Q299-G301 VanDerWaalsContact C-N 3.3Å; Q299-G301 PolarHBondContact O-N 3.32Å; Q299-G301 VanDerWaalsContact O-N 3.14Å; Q299-R302 PolarHBondContact O-N 3.42Å; Q299-D303 WeakPolarHBondContact O-CB 3.09Å; Q299-D303 PolarHBondContact O-N 2.91Å
300L93.3Very high96.4Very high27 Ų2749.6 Ų49.614%0.14124%0.244CC..Hα-helixtrans-49.6-44.6-172.1-88.1168.1000114.2A154 F207 S296 Y297 S304 F319A154-L300 HydrophobicContact CB-CD1 3.67Å; A154-L300 HydrophobicContact CB-CD2 3.86Å; A154-L300 HydrophobicContact CB-CG 4.45Å; F207-L300 HydrophobicContact CD1-CD2 3.77Å; F207-L300 HydrophobicContact CE1-CD2 3.99Å; S296-L300 PolarHBondContact O-N 3.09Å; Y297-L300 HydrophobicContact CD2-CD1 3.43Å; Y297-L300 VanDerWaalsContact CD2-CD1 3.43Å; Y297-L300 HydrophobicContact CD2-CG 4.2Å; Y297-L300 HydrophobicContact CE2-CD1 3.47Å; Y297-L300 VanDerWaalsContact CE2-CD1 3.47Å; Y297-L300 HydrophobicContact CG-CD1 4.04Å; Y297-L300 WeakPolarHBondContact O-CD1 3.29Å; Y297-L300 VanDerWaalsContact O-CG 3.23Å; Y297-L300 WeakPolarHBondContact O-CG 3.22Å; Y297-L300 PolarHBondContact O-N 3.41Å; L300-S304 WeakPolarHBondContact O-CB 3.44Å; L300-S304 PolarHBondContact O-N 2.62Å; L300-S304 PolarHBondContact O-OG 2.9Å; L300-F319 HydrophobicContact CB-CE1 4.4Å; L300-F319 HydrophobicContact CD2-CE1 4.12Å; L300-F319 HydrophobicContact CD2-CZ 3.98Å
301G93.1Very high96.5Very high56 Ų5646.3 Ų46.358%0.57722%0.22SC*.Hα-helixtrans-57.9-59.9-176.800000111.2Q299 E305Q299-G301 VanDerWaalsContact C-N 3.3Å; Q299-G301 PolarHBondContact O-N 3.32Å; Q299-G301 VanDerWaalsContact O-N 3.14Å; G301-E305 WeakPolarHBondContact O-CB 3.48Å; G301-E305 PolarHBondContact O-N 3.23Å; G301-E305 VanDerWaalsContact O-N 3.09Å
302R94.1Very high96.5Very high85 Ų8547.6 Ų47.632%0.32124%0.24SC..Hα-helixtrans-66.4-45-179-169.2-163.261.7-137.7-22.9112.6A94 S98 Q299 S304 E305 Y306A94-R302 PolarHBondContact O-NH1 3.15Å; S98-R302 PolarHBondContact OG-NH1 3.11Å; S98-R302 PolarHBondContact OG-NH2 3.3Å; Q299-R302 PolarHBondContact O-N 3.42Å; R302-S304 VanDerWaalsContact C-N 3.3Å; R302-S304 PolarHBondContact O-N 3.44Å; R302-E305 PolarHBondContact O-N 3.32Å; R302-Y306 PolarHBondContact O-N 3.14Å
303D96.4Very high96.4Very high3 Ų344.2 Ų44.22%0.01623%0.225CC..Hα-helixtrans-68.3-31.9-175.9-73.77.6000111.6F207 F293 G295 S296 Q299 V307F207-D303 HydrophobicContact CE1-CB 3.62Å; F207-D303 HydrophobicContact CZ-CB 4.12Å; F293-D303 HydrophobicContact CE1-CB 4Å; F293-D303 HydrophobicContact CZ-CB 3.87Å; G295-D303 WeakPolarHBondContact CA-OD2 3.35Å; S296-D303 PolarHBondContact N-OD2 2.94Å; Q299-D303 WeakPolarHBondContact O-CB 3.09Å; Q299-D303 PolarHBondContact O-N 2.91Å; D303-V307 WeakPolarHBondContact O-CG2 3.2Å; D303-V307 PolarHBondContact O-N 3.5Å
304S97.5Very high96.3Very high0 Ų044.5 Ų44.50%023%0.229CC..Hα-helixtrans-75.2-39.1175.1-50.80000111.9L300 R302 V307 L308 F319L300-S304 WeakPolarHBondContact O-CB 3.44Å; L300-S304 PolarHBondContact O-N 2.62Å; L300-S304 PolarHBondContact O-OG 2.9Å; R302-S304 VanDerWaalsContact C-N 3.3Å; R302-S304 PolarHBondContact O-N 3.44Å; S304-V307 PolarHBondContact O-N 3.23Å; S304-L308 WeakPolarHBondContact O-CG 3.39Å; S304-L308 PolarHBondContact O-N 2.95Å; S304-F319 VanDerWaalsContact CB-CG 3.48Å
305E96.4Very high96.1Very high82 Ų8251 Ų5138%0.38327%0.271SS..Hα-helixtrans-59-46.6173.8-175.856.9-147.500111.4G301 R302 V307 L308 Q309G301-E305 WeakPolarHBondContact O-CB 3.48Å; G301-E305 PolarHBondContact O-N 3.23Å; G301-E305 VanDerWaalsContact O-N 3.09Å; R302-E305 PolarHBondContact O-N 3.32Å; E305-V307 VanDerWaalsContact C-N 3.3Å; E305-V307 PolarHBondContact O-N 3.18Å; E305-L308 PolarHBondContact O-N 3.28Å; E305-Q309 WeakPolarHBondContact O-CG 3.38Å; E305-Q309 PolarHBondContact O-N 2.91Å; E305-Q309 PolarHBondContact OE1-NE2 2.98Å
306Y96.3Very high95.9Very high107 Ų10758 Ų5842%0.4230%0.302SS..Hα-helixtrans-55.3-44.4173.8171.9-95.5000112.2F293 R302 R310F293-Y306 HydrophobicContact CB-CE1 4.3Å; F293-Y306 HydrophobicContact CD1-CD1 4.17Å; F293-Y306 HydrophobicContact CD1-CE1 4.39Å; F293-Y306 AromaticContact CD2-CD1 3.77Å; F293-Y306 HydrophobicContact CD2-CD1 3.77Å; F293-Y306 AromaticContact CD2-CE1 3.47Å; F293-Y306 HydrophobicContact CD2-CE1 3.47Å; F293-Y306 VanDerWaalsContact CD2-CE1 3.47Å; F293-Y306 HydrophobicContact CE1-CD1 4.05Å; F293-Y306 AromaticContact CE2-CD1 3.65Å; F293-Y306 HydrophobicContact CE2-CD1 3.65Å; F293-Y306 AromaticContact CE2-CE1 3.78Å; F293-Y306 HydrophobicContact CE2-CE1 3.78Å; F293-Y306 HydrophobicContact CG-CD1 4.02Å; F293-Y306 AromaticContact CG-CE1 3.8Å; F293-Y306 HydrophobicContact CG-CE1 3.8Å; F293-Y306 AromaticContact CZ-CD1 3.79Å; F293-Y306 HydrophobicContact CZ-CD1 3.79Å; F293-Y306 HydrophobicContact CZ-CE1 4.35Å; R302-Y306 PolarHBondContact O-N 3.14Å; Y306-R310 WeakPolarHBondContact O-CB 3.33Å; Y306-R310 PolarHBondContact O-N 2.94Å
307V98.3Very high95.8Very high0 Ų058.4 Ų58.40%030%0.304CS..Hα-helixtrans-65.3-46.1178.6168.70000111.4W158 F203 F205 F207 F293 D303 S304 E305 Q309 R310 I311W158-V307 HydrophobicContact CH2-CB 3.75Å; W158-V307 HydrophobicContact CH2-CG1 3.47Å; W158-V307 VanDerWaalsContact CH2-CG1 3.47Å; W158-V307 HydrophobicContact CZ2-CB 4.33Å; W158-V307 HydrophobicContact CZ2-CG1 4.31Å; W158-V307 HydrophobicContact CZ3-CG1 3.95Å; F203-V307 HydrophobicContact CE1-CG1 4.31Å; F205-V307 HydrophobicContact CB-CG2 4.48Å; F205-V307 HydrophobicContact CD1-CG1 3.87Å; F205-V307 HydrophobicContact CD2-CG1 4.03Å; F205-V307 HydrophobicContact CD2-CG2 4.18Å; F205-V307 HydrophobicContact CE1-CG1 3.65Å; F205-V307 HydrophobicContact CE2-CG1 3.84Å; F205-V307 HydrophobicContact CG-CG1 4.04Å; F205-V307 HydrophobicContact CG-CG2 4.25Å; F205-V307 HydrophobicContact CZ-CG1 3.64Å; F207-V307 HydrophobicContact CE2-CG2 4.31Å; F207-V307 HydrophobicContact CZ-CG2 4.29Å; F293-V307 HydrophobicContact CD1-CG2 3.35Å; F293-V307 HydrophobicContact CE1-CG2 3.62Å; F293-V307 HydrophobicContact CG-CG2 4.31Å; D303-V307 WeakPolarHBondContact O-CG2 3.2Å; D303-V307 PolarHBondContact O-N 3.5Å; S304-V307 PolarHBondContact O-N 3.23Å; E305-V307 VanDerWaalsContact C-N 3.3Å; E305-V307 PolarHBondContact O-N 3.18Å; V307-Q309 VanDerWaalsContact C-N 3.34Å; V307-Q309 PolarHBondContact O-N 2.77Å; V307-R310 PolarHBondContact O-N 3.37Å; V307-R310 VanDerWaalsContact O-N 3.11Å; V307-I311 HydrophobicContact CG1-CG2 4.48Å; V307-I311 WeakPolarHBondContact O-CG1 3.32Å; V307-I311 PolarHBondContact O-N 2.99Å
308L98.3Very high95.8Very high5 Ų559.9 Ų59.93%0.02631%0.313CS..Hα-helixtrans-59.4-44.8179.2-72.1170.6000111.4W158 V161 S304 E305 I311 G312 A313 V317 F319W158-L308 HydrophobicContact CZ3-CD2 4.45Å; V161-L308 HydrophobicContact CG1-CD2 3.79Å; S304-L308 WeakPolarHBondContact O-CG 3.39Å; S304-L308 PolarHBondContact O-N 2.95Å; E305-L308 PolarHBondContact O-N 3.28Å; L308-I311 HydrophobicContact CD2-CD1 4.45Å; L308-I311 VanDerWaalsContact O-CG1 3.31Å; L308-I311 WeakPolarHBondContact O-CG1 3.5Å; L308-G312 PolarHBondContact O-N 3.24Å; L308-A313 HydrophobicContact CB-CB 4.12Å; L308-A313 HydrophobicContact CD2-CB 3.8Å; L308-A313 WeakPolarHBondContact O-CB 3.48Å; L308-A313 PolarHBondContact O-N 3.38Å; L308-V317 HydrophobicContact CD2-CG1 4.24Å; L308-F319 HydrophobicContact CD1-CB 4.27Å
309Q97.7Very high95.9Very high128 Ų12857 Ų5760%0.59830%0.299SS*.Hα-helixtrans-61.9-44.1173.1-68.6175.610.100111.5E305 V307 I311 G312E305-Q309 WeakPolarHBondContact O-CG 3.38Å; E305-Q309 PolarHBondContact O-N 2.91Å; E305-Q309 PolarHBondContact OE1-NE2 2.98Å; V307-Q309 VanDerWaalsContact C-N 3.34Å; V307-Q309 PolarHBondContact O-N 2.77Å; Q309-I311 VanDerWaalsContact C-N 3.33Å; Q309-I311 PolarHBondContact O-N 3Å; Q309-G312 PolarHBondContact O-N 2.93Å; Q309-G312 VanDerWaalsContact O-N 3.1Å
310R97.9Very high95.8Very high145 Ų14555 Ų5555%0.54729%0.29SS..Hα-helixtrans-64.6-34.3-176.7-175.863.1-175.1102.4-8.4113.6F203 Y306 V307 G312F203-R310 HydrophobicContact CD2-CG 4.02Å; F203-R310 HydrophobicContact CE1-CG 4.2Å; F203-R310 HydrophobicContact CE2-CG 3.59Å; F203-R310 HydrophobicContact CG-CG 4.48Å; F203-R310 HydrophobicContact CZ-CB 4.35Å; F203-R310 HydrophobicContact CZ-CG 3.7Å; Y306-R310 WeakPolarHBondContact O-CB 3.33Å; Y306-R310 PolarHBondContact O-N 2.94Å; V307-R310 PolarHBondContact O-N 3.37Å; V307-R310 VanDerWaalsContact O-N 3.11Å; R310-G312 VanDerWaalsContact C-N 3.34Å
311I97.8Very high95.5Very high20 Ų2061.4 Ų61.410%0.10332%0.319CS..Hα-helixtrans-85.9-5.4176.968.5174.9000112.9F145 L165 F203 V307 L308 Q309 A313F145-I311 HydrophobicContact CB-CG2 3.95Å; F145-I311 HydrophobicContact CD1-CB 4.19Å; F145-I311 HydrophobicContact CD1-CD1 3.76Å; F145-I311 HydrophobicContact CD1-CG2 3.97Å; F145-I311 HydrophobicContact CE1-CD1 3.61Å; F145-I311 HydrophobicContact CG-CG2 4.17Å; F145-I311 HydrophobicContact CZ-CD1 4.38Å; L165-I311 HydrophobicContact CD1-CD1 4Å; F203-I311 HydrophobicContact CD1-CG2 3.71Å; F203-I311 HydrophobicContact CE1-CG2 4.21Å; V307-I311 HydrophobicContact CG1-CG2 4.48Å; V307-I311 WeakPolarHBondContact O-CG1 3.32Å; V307-I311 PolarHBondContact O-N 2.99Å; L308-I311 HydrophobicContact CD2-CD1 4.45Å; L308-I311 VanDerWaalsContact O-CG1 3.31Å; L308-I311 WeakPolarHBondContact O-CG1 3.5Å; Q309-I311 VanDerWaalsContact C-N 3.33Å; Q309-I311 PolarHBondContact O-N 3Å; I311-A313 HydrophobicContact CD1-CB 4.23Å; I311-A313 HydrophobicContact CG1-CB 4.08Å
312G97.7Very high95Very high52 Ų5265 Ų6554%0.53632%0.315SS..THydrogen-bonded Turntrans67.838.2-176.400000112.8L308 Q309 R310L308-G312 PolarHBondContact O-N 3.24Å; Q309-G312 PolarHBondContact O-N 2.93Å; Q309-G312 VanDerWaalsContact O-N 3.1Å; R310-G312 VanDerWaalsContact C-N 3.34Å
313A97.3Very high94.3Very high18 Ų1862.7 Ų62.715%0.14931%0.308CS..  trans-59.3146.2175.400000110.4L165 L308 I311L165-A313 HydrophobicContact CD2-CB 4.25Å; L308-A313 HydrophobicContact CB-CB 4.12Å; L308-A313 HydrophobicContact CD2-CB 3.8Å; L308-A313 WeakPolarHBondContact O-CB 3.48Å; L308-A313 PolarHBondContact O-N 3.38Å; I311-A313 HydrophobicContact CD1-CB 4.23Å; I311-A313 HydrophobicContact CG1-CB 4.08Å
314P96.3Very high93.6Very high26 Ų2669 Ų6917%0.16935%0.346CS..  trans-59.4148.1177.5-23.534.9000111.5Y143 F316 V317Y143-P314 HydrophobicContact CE1-CG 4.35Å; Y143-P314 WeakPolarHBondContact OH-CD 3.47Å; Y143-P314 VanDerWaalsContact OH-CG 3.26Å; Y143-P314 WeakPolarHBondContact OH-CG 3.15Å; P314-F316 HydrophobicContact CB-CD1 3.59Å; P314-F316 HydrophobicContact CB-CE1 3.23Å; P314-F316 HydrophobicContact CB-CG 4.41Å; P314-F316 HydrophobicContact CB-CZ 3.77Å; P314-F316 HydrophobicContact CG-CE1 3.93Å; P314-F316 HydrophobicContact CG-CZ 4.05Å; P314-F316 PolarHBondContact O-N 2.87Å; P314-V317 HydrophobicContact CB-CG2 4.3Å; P314-V317 HydrophobicContact CG-CG2 4.32Å; P314-V317 PolarHBondContact O-N 2.84Å
315P93.3Very high92.6Very high142 Ų14276.6 Ų76.692%0.92238%0.376SS*.THydrogen-bonded Turntrans-59.4-21.5-175.7-26.534.7000115.5V317P315-V317 VanDerWaalsContact C-N 3.31Å
316F92.2Very high91.9Very high145 Ų14574.9 Ų74.964%0.63637%0.366SS*.THydrogen-bonded Turntrans-82.6-7.4177.167.5-96.8000113.4V164 P314V164-F316 HydrophobicContact CG1-CE2 4.34Å; P314-F316 HydrophobicContact CB-CD1 3.59Å; P314-F316 HydrophobicContact CB-CE1 3.23Å; P314-F316 HydrophobicContact CB-CG 4.41Å; P314-F316 HydrophobicContact CB-CZ 3.77Å; P314-F316 HydrophobicContact CG-CE1 3.93Å; P314-F316 HydrophobicContact CG-CZ 4.05Å; P314-F316 PolarHBondContact O-N 2.87Å
317V95.3Very high91.3Very high9 Ų977 Ų776%0.05538%0.377CS..  trans-97104.6178-1780000109.1V161 V164 L165 V172 L308 P314 P315V161-V317 HydrophobicContact CG1-CG1 4.11Å; V164-V317 HydrophobicContact CG1-CG2 3.91Å; L165-V317 HydrophobicContact CD2-CB 4.44Å; L165-V317 HydrophobicContact CD2-CG1 4.16Å; L165-V317 HydrophobicContact CD2-CG2 4.05Å; L165-V317 HydrophobicContact CG-CG1 4.45Å; V172-V317 HydrophobicContact CG1-CG1 4.34Å; L308-V317 HydrophobicContact CD2-CG1 4.24Å; P314-V317 HydrophobicContact CB-CG2 4.3Å; P314-V317 HydrophobicContact CG-CG2 4.32Å; P314-V317 PolarHBondContact O-N 2.84Å; P315-V317 VanDerWaalsContact C-N 3.31Å
318H95.4Very high90.8Very high72 Ų7279.2 Ų79.233%0.33339%0.392SS..  trans-106.4167.3171.258.4-77.5000111.8V172 D173 P320V172-H318 WeakPolarHBondContact CG2-CE1 3.11Å; V172-H318 WeakPolarHBondContact CG2-NE2 3.28Å; D173-H318 IonicContact OD1-CE1 3.66Å; D173-H318 IonicContact OD1-NE2 2.65Å; D173-H318 PolarHBondContact OD1-NE2 2.61Å; D173-H318 VanDerWaalsContact OD1-NE2 3.11Å; D173-H318 IonicContact OD2-CE1 3.86Å; D173-H318 PolarHBondContact OD2-CE1 3.03Å; D173-H318 IonicContact OD2-NE2 2.78Å; D173-H318 PolarHBondContact OD2-NE2 2.91Å; H318-P320 WeakPolarHBondContact O-CD 3.5Å
319F95Very high90.4Very high30 Ų3079.5 Ų79.513%0.13239%0.393CS..PPolyproline II helixtrans-75122.7170.4-170.3-104.1000109.7A154 N157 W158 V161 L300 S304 L308A154-F319 HydrophobicContact CB-CE1 4.44Å; A154-F319 HydrophobicContact CB-CZ 3.82Å; N157-F319 HydrophobicContact CB-CE1 4.13Å; N157-F319 HydrophobicContact CB-CE2 3.75Å; N157-F319 HydrophobicContact CB-CZ 3.51Å; W158-F319 AromaticContact CD1-CE2 3.68Å; W158-F319 HydrophobicContact CD2-CD2 4.36Å; W158-F319 AromaticContact CD2-CE2 3.92Å; W158-F319 HydrophobicContact CD2-CE2 3.92Å; W158-F319 AromaticContact CE2-CE2 3.62Å; W158-F319 AromaticContact CG-CE2 3.93Å; W158-F319 HydrophobicContact CG-CE2 3.93Å; W158-F319 HydrophobicContact CZ2-CD2 4.13Å; W158-F319 HydrophobicContact CZ2-CE2 4.16Å; W158-F319 AromaticContact NE1-CE2 3.49Å; V161-F319 HydrophobicContact CG2-CD2 4.38Å; L300-F319 HydrophobicContact CB-CE1 4.4Å; L300-F319 HydrophobicContact CD2-CE1 4.12Å; L300-F319 HydrophobicContact CD2-CZ 3.98Å; S304-F319 VanDerWaalsContact CB-CG 3.48Å; L308-F319 HydrophobicContact CD1-CB 4.27Å
320P91.4Very high90.2Very high3 Ų376.1 Ų76.12%0.01938%0.382CS..PPolyproline II helixtrans-64.6145.4-174.39.2-14.3000112N157 R160 V172 H318N157-P320 HydrophobicContact CB-CG 3.79Å; N157-P320 PolarHBondContact ND2-O 2.91Å; R160-P320 HydrophobicContact CB-CG 4.34Å; V172-P320 HydrophobicContact CB-CB 4.17Å; V172-P320 HydrophobicContact CB-CG 3.94Å; H318-P320 WeakPolarHBondContact O-CD 3.5Å
321E87.5Confident89.9Confident162 Ų16274 Ų7476%0.75739%0.385SS*.PPolyproline II helixtrans-62162.2174.2-68.9-164.7172.200112N157 Q323N157-E321 PolarHBondContact ND2-O 3.22Å; E321-Q323 PolarHBondContact O-N 2.92Å
322R84.1Confident89.7Confident130 Ų13079.8 Ų79.849%0.49141%0.412SS..PPolyproline II helixtrans-68.8124.9174.5-174.6-179.86469-0.9109.2T324 Y326R322-T324 PolarHBondContact O-N 3.16Å; R322-Y326 HydrophobicContact CG-CD1 4Å; R322-Y326 PolarHBondContact NH1-O 3.16Å
323Q79.4Confident89.5Confident37 Ų3779 Ų7917%0.17340%0.397CS..PPolyproline II helixtrans-55.1134175.6-62-67.7-38.800111.6E321 W325 Y326E321-Q323 PolarHBondContact O-N 2.92Å; Q323-W325 VanDerWaalsContact C-N 3.3Å; Q323-W325 HydrophobicContact CB-CD2 4.32Å; Q323-W325 HydrophobicContact CB-CZ2 4.02Å; Q323-W325 HydrophobicContact CG-CZ2 4.19Å; Q323-W325 PolarHBondContact O-N 3.18Å; Q323-Y326 WeakPolarHBondContact O-CB 3.31Å; Q323-Y326 PolarHBondContact O-N 3.25Å; Q323-Y326 VanDerWaalsContact O-N 3.11Å
324T81.1Confident89.4Confident135 Ų13579.2 Ų79.283%0.82840%0.395SS*.THydrogen-bonded Turntrans-63-33.2-171.453.10000113.4R322 Y326R322-T324 PolarHBondContact O-N 3.16Å; T324-Y326 VanDerWaalsContact C-N 3.3Å; T324-Y326 PolarHBondContact O-N 3.03Å
325W76.8Confident89.4Confident161 Ų16180.2 Ų80.261%0.6140%0.397SS*.THydrogen-bonded Turntrans-73.5-17.4178.554.2-97.4000113.8Q323 K327Q323-W325 VanDerWaalsContact C-N 3.3Å; Q323-W325 HydrophobicContact CB-CD2 4.32Å; Q323-W325 HydrophobicContact CB-CZ2 4.02Å; Q323-W325 HydrophobicContact CG-CZ2 4.19Å; Q323-W325 PolarHBondContact O-N 3.18Å; W325-K327 PolarHBondContact O-N 3.16Å
326Y80.6Confident89.5Confident45 Ų4579.6 Ų79.618%0.17638%0.377CS..  trans-75.4124.7178.8175.5-94.5000110.6S217 R322 Q323 T324 P328S217-Y326 PolarHBondContact OG-OH 3.3Å; R322-Y326 HydrophobicContact CG-CD1 4Å; R322-Y326 PolarHBondContact NH1-O 3.16Å; Q323-Y326 WeakPolarHBondContact O-CB 3.31Å; Q323-Y326 PolarHBondContact O-N 3.25Å; Q323-Y326 VanDerWaalsContact O-N 3.11Å; T324-Y326 VanDerWaalsContact C-N 3.3Å; T324-Y326 PolarHBondContact O-N 3.03Å; Y326-P328 HydrophobicContact CE1-CB 4.03Å; Y326-P328 WeakPolarHBondContact O-CD 3.38Å
327K84.4Confident89.6Confident151 Ų15175.2 Ų75.266%0.65736%0.357SS*.  trans-96107.6176.5-64-177.8-177.4178.60110.2W325W325-K327 PolarHBondContact O-N 3.16Å
328P87.3Confident89.7Confident48 Ų4875.1 Ų75.131%0.31236%0.356SS..PPolyproline II helixtrans-65.3157.2-179.927.2-33.5000111.9R220 Y326R220-P328 PolarHBondContact NH1-O 3.04Å; Y326-P328 HydrophobicContact CE1-CB 4.03Å; Y326-P328 WeakPolarHBondContact O-CD 3.38Å
329V91Very high89.6Confident10 Ų1072.7 Ų72.76%0.06135%0.347CS..PPolyproline II helixtrans-71.2125.2162.3174.80000107.1E213 L216 L334E213-V329 HydrophobicContact CG-CG1 4.26Å; L216-V329 HydrophobicContact CB-CG2 4.26Å; L216-V329 HydrophobicContact CD2-CG1 3.77Å; L216-V329 HydrophobicContact CD2-CG2 4.36Å; L216-V329 HydrophobicContact CG-CG1 4.33Å; L216-V329 HydrophobicContact CG-CG2 4.05Å; V329-L334 HydrophobicContact CG1-CB 4.04Å
330T92.6Very high89.6Confident57 Ų5774.7 Ų74.735%0.3536%0.362SS..PPolyproline II helixtrans-97161.2172.670.90000110Q332 T333 L334T330-Q332 PolarHBondContact O-N 2.97Å; T330-Q332 PolarHBondContact OG1-OE1 3.39Å; T330-T333 PolarHBondContact O-N 3.02Å; T330-T333 VanDerWaalsContact O-N 3.08Å; T330-T333 PolarHBondContact OG1-N 2.93Å; T330-T333 VanDerWaalsContact OG1-N 3.12Å; T330-T333 PolarHBondContact OG1-OG1 3.44Å; T330-L334 PolarHBondContact O-N 2.99Å
331T91.3Very high89.8Confident102 Ų10274.9 Ų74.963%0.62636%0.363SS*.Hα-helixtrans-54.8-41.2174.3-48.40000112L334 H335T331-L334 PolarHBondContact O-N 3.5Å; T331-H335 VanDerWaalsContact O-CB 3.28Å; T331-H335 WeakPolarHBondContact O-CB 3.14Å; T331-H335 PolarHBondContact O-N 2.82Å
332Q93.1Very high90.1Very high141 Ų14170.3 Ų70.366%0.65935%0.347SS*.Hα-helixtrans-66.5-40.6177.8-58.580.17.200111.7T330 H335 Y336T330-Q332 PolarHBondContact O-N 2.97Å; T330-Q332 PolarHBondContact OG1-OE1 3.39Å; Q332-H335 PolarHBondContact O-N 2.85Å; Q332-Y336 WeakPolarHBondContact O-CB 3.14Å; Q332-Y336 PolarHBondContact O-N 3.46Å
333T94.9Very high90.5Very high35 Ų3567.1 Ų67.122%0.21534%0.338CS..Hα-helixtrans-65-46.3177.6-520000110L216 T330 H335 Y336 Y337L216-T333 HydrophobicContact CD2-CG2 4.31Å; T330-T333 PolarHBondContact O-N 3.02Å; T330-T333 VanDerWaalsContact O-N 3.08Å; T330-T333 PolarHBondContact OG1-N 2.93Å; T330-T333 VanDerWaalsContact OG1-N 3.12Å; T330-T333 PolarHBondContact OG1-OG1 3.44Å; T333-H335 PolarHBondContact O-N 3.35Å; T333-Y336 PolarHBondContact O-N 2.95Å; T333-Y337 HydrophobicContact CG2-CD2 3.88Å; T333-Y337 HydrophobicContact CG2-CE2 3.8Å; T333-Y337 VanDerWaalsContact O-CD2 3.27Å; T333-Y337 WeakPolarHBondContact O-CD2 3.46Å; T333-Y337 PolarHBondContact O-N 3.18Å; T333-Y337 VanDerWaalsContact O-N 3.13Å
334L95.6Very high91.2Very high22 Ų2272.2 Ų72.212%0.11536%0.359CS..Hα-helixtrans-59.4-48.5176.9-179.566.6000111.4M212 E213 L216 V329 T330 T331 Y336 Y337 L338M212-L334 HydrophobicContact CB-CD1 3.89Å; E213-L334 HydrophobicContact CG-CD2 3.71Å; L216-L334 HydrophobicContact CB-CD1 4.43Å; L216-L334 HydrophobicContact CD2-CB 4.32Å; L216-L334 HydrophobicContact CD2-CD1 3.91Å; V329-L334 HydrophobicContact CG1-CB 4.04Å; T330-L334 PolarHBondContact O-N 2.99Å; T331-L334 PolarHBondContact O-N 3.5Å; L334-Y336 PolarHBondContact O-N 3.24Å; L334-Y337 PolarHBondContact O-N 3.33Å; L334-L338 HydrophobicContact CD1-CD1 3.83Å; L334-L338 HydrophobicContact CD1-CD2 4.48Å; L334-L338 HydrophobicContact CD1-CG 3.9Å; L334-L338 HydrophobicContact CD2-CD1 4.27Å; L334-L338 HydrophobicContact CG-CD1 3.81Å; L334-L338 HydrophobicContact CG-CG 4.19Å; L334-L338 WeakPolarHBondContact O-CG 3.34Å; L334-L338 PolarHBondContact O-N 2.99Å
335H94.7Very high91.9Very high47 Ų4766.7 Ų66.722%0.21832%0.324CS..Hα-helixtrans-54.1-50.6177.7178.7-91.7000111.5T331 Q332 T333 Y337 L338 C339 H371 H374T331-H335 VanDerWaalsContact O-CB 3.28Å; T331-H335 WeakPolarHBondContact O-CB 3.14Å; T331-H335 PolarHBondContact O-N 2.82Å; Q332-H335 PolarHBondContact O-N 2.85Å; T333-H335 PolarHBondContact O-N 3.35Å; H335-Y337 PolarHBondContact O-N 3.11Å; H335-L338 PolarHBondContact O-N 3.1Å; H335-C339 PolarHBondContact NE2-SG 3.16Å; H335-C339 VanDerWaalsContact NE2-SG 3.42Å; H335-C339 WeakPolarHBondContact O-CB 3.37Å; H335-C339 PolarHBondContact O-N 3.37Å; H335-C339 PolarHBondContact O-SG 2.92Å; H335-H371 AromaticContact CD2-CD2 3.65Å; H335-H371 AromaticContact CD2-NE2 3.34Å; H335-H371 PolarHBondContact CD2-NE2 3.26Å; H335-H371 VanDerWaalsContact CD2-NE2 3.34Å; H335-H371 AromaticContact NE2-CD2 3.66Å; H335-H371 AromaticContact NE2-NE2 3.72Å; H335-H371 PolarHBondContact NE2-O 3.18Å; H335-H374 AromaticContact CE1-CE1 3.58Å; H335-H374 AromaticContact ND1-CE1 3.67Å
336Y95.1Very high92.7Very high129 Ų12959 Ų5951%0.50630%0.296SS..Hα-helixtrans-54.7-50.8176.7173.6-97000112.4Q332 T333 L334 L338 T340Q332-Y336 WeakPolarHBondContact O-CB 3.14Å; Q332-Y336 PolarHBondContact O-N 3.46Å; T333-Y336 PolarHBondContact O-N 2.95Å; L334-Y336 PolarHBondContact O-N 3.24Å; Y336-L338 PolarHBondContact O-N 3.39Å; Y336-T340 HydrophobicContact CD2-CG2 4.01Å; Y336-T340 HydrophobicContact CE2-CG2 3.76Å; Y336-T340 HydrophobicContact CG-CG2 4.49Å; Y336-T340 WeakPolarHBondContact O-CB 3.43Å; Y336-T340 VanDerWaalsContact O-CG2 3.22Å; Y336-T340 WeakPolarHBondContact O-CG2 3.29Å; Y336-T340 PolarHBondContact O-N 3.36Å; Y336-T340 PolarHBondContact O-OG1 3.03Å
337Y96.3Very high93.3Very high53 Ų5365.4 Ų65.421%0.20832%0.319CS..Hα-helixtrans-67.4-37.8-177.9-84.2-79.9000113L216 Y219 F258 T333 L334 H335 T340 L341L216-Y337 HydrophobicContact CD1-CD1 4.04Å; L216-Y337 HydrophobicContact CD1-CD2 3.62Å; L216-Y337 HydrophobicContact CD1-CE1 4.34Å; L216-Y337 HydrophobicContact CD1-CE2 3.96Å; L216-Y337 HydrophobicContact CD1-CG 3.66Å; L216-Y337 HydrophobicContact CD2-CD2 3.72Å; L216-Y337 HydrophobicContact CD2-CE2 4.5Å; L216-Y337 HydrophobicContact CD2-CG 4.11Å; L216-Y337 HydrophobicContact CG-CD2 4.29Å; Y219-Y337 AromaticContact CE1-CE1 3.94Å; Y219-Y337 HydrophobicContact CE1-CE1 3.94Å; F258-Y337 HydrophobicContact CB-CD1 3.56Å; F258-Y337 HydrophobicContact CB-CE1 3.75Å; F258-Y337 AromaticContact CD1-CD1 3.75Å; F258-Y337 HydrophobicContact CD1-CD1 3.75Å; F258-Y337 HydrophobicContact CD1-CG 4.36Å; F258-Y337 HydrophobicContact CD2-CD1 4.37Å; F258-Y337 AromaticContact CG-CD1 3.64Å; F258-Y337 HydrophobicContact CG-CD1 3.64Å; F258-Y337 HydrophobicContact CG-CE1 4.24Å; T333-Y337 HydrophobicContact CG2-CD2 3.88Å; T333-Y337 HydrophobicContact CG2-CE2 3.8Å; T333-Y337 VanDerWaalsContact O-CD2 3.27Å; T333-Y337 WeakPolarHBondContact O-CD2 3.46Å; T333-Y337 PolarHBondContact O-N 3.18Å; T333-Y337 VanDerWaalsContact O-N 3.13Å; L334-Y337 PolarHBondContact O-N 3.33Å; H335-Y337 PolarHBondContact O-N 3.11Å; Y337-T340 PolarHBondContact O-OG1 3.11Å; Y337-L341 WeakPolarHBondContact O-CB 3.32Å; Y337-L341 PolarHBondContact O-N 3.09Å
338L95.4Very high93.8Very high7 Ų762.4 Ų62.44%0.03731%0.308CS..Hα-helixtrans-73.4-39178.5-67.3-175.7000112.2M212 L334 H335 Y336 L341 L346 P365 T367M212-L338 HydrophobicContact CB-CD1 4.2Å; M212-L338 HydrophobicContact CB-CD2 4.32Å; M212-L338 HydrophobicContact CG-CD1 4.34Å; M212-L338 HydrophobicContact CG-CD2 4.28Å; M212-L338 HydrophobicContact SD-CD2 4.34Å; L334-L338 HydrophobicContact CD1-CD1 3.83Å; L334-L338 HydrophobicContact CD1-CD2 4.48Å; L334-L338 HydrophobicContact CD1-CG 3.9Å; L334-L338 HydrophobicContact CD2-CD1 4.27Å; L334-L338 HydrophobicContact CG-CD1 3.81Å; L334-L338 HydrophobicContact CG-CG 4.19Å; L334-L338 WeakPolarHBondContact O-CG 3.34Å; L334-L338 PolarHBondContact O-N 2.99Å; H335-L338 PolarHBondContact O-N 3.1Å; Y336-L338 PolarHBondContact O-N 3.39Å; L338-L341 PolarHBondContact O-N 2.81Å; L338-L346 HydrophobicContact CD2-CD1 4.08Å; L338-P365 HydrophobicContact CD1-CB 3.73Å; L338-P365 HydrophobicContact CD1-CG 4.29Å; L338-T367 HydrophobicContact CB-CG2 4.13Å
339C94.5Very high94.3Very high21 Ų2160.1 Ų60.114%0.14229%0.293CS..Hα-helixtrans-77.5-25.5-179.1-740000113.8H335 C372H335-C339 PolarHBondContact NE2-SG 3.16Å; H335-C339 VanDerWaalsContact NE2-SG 3.42Å; H335-C339 WeakPolarHBondContact O-CB 3.37Å; H335-C339 PolarHBondContact O-N 3.37Å; H335-C339 PolarHBondContact O-SG 2.92Å; C339-C372 WeakPolarHBondContact CA-SG 3.3Å; C339-C372 HydrophobicContact CB-CB 3.48Å; C339-C372 VanDerWaalsContact CB-CB 3.48Å; C339-C372 WeakPolarHBondContact CB-SG 3.41Å; C339-C372 WeakPolarHBondContact SG-CA 3.36Å; C339-C372 WeakPolarHBondContact SG-CB 3.26Å; C339-C372 CovalentContact SG-SG 2.04Å; C339-C372 PolarHBondContact SG-SG 3.19Å
340T93.9Very high94.5Very high72 Ų7260.9 Ų60.944%0.44230%0.296SS..Hα-helixtrans-83.4-15.6173.254.70000113.3Y336 Y337Y336-T340 HydrophobicContact CD2-CG2 4.01Å; Y336-T340 HydrophobicContact CE2-CG2 3.76Å; Y336-T340 HydrophobicContact CG-CG2 4.49Å; Y336-T340 WeakPolarHBondContact O-CB 3.43Å; Y336-T340 VanDerWaalsContact O-CG2 3.22Å; Y336-T340 WeakPolarHBondContact O-CG2 3.29Å; Y336-T340 PolarHBondContact O-N 3.36Å; Y336-T340 PolarHBondContact O-OG1 3.03Å; Y337-T340 PolarHBondContact O-OG1 3.11Å
341L95.6Very high94.7Very high8 Ų859.9 Ų59.94%0.04229%0.291CS..SBendtrans-71.3134.8177.8-170.569.9000110.4F258 V262 Y337 L338 Q343 L345 L346F258-L341 HydrophobicContact CD1-CD1 4.23Å; F258-L341 HydrophobicContact CE1-CD1 4.45Å; F258-L341 HydrophobicContact CE1-CD2 4.27Å; V262-L341 HydrophobicContact CB-CD1 4.21Å; V262-L341 HydrophobicContact CG1-CD1 4.48Å; V262-L341 HydrophobicContact CG1-CD2 4.22Å; V262-L341 HydrophobicContact CG2-CD1 4.1Å; V262-L341 HydrophobicContact CG2-CD2 4.06Å; Y337-L341 WeakPolarHBondContact O-CB 3.32Å; Y337-L341 PolarHBondContact O-N 3.09Å; L338-L341 PolarHBondContact O-N 2.81Å; L341-Q343 PolarHBondContact O-N 3.08Å; L341-L345 HydrophobicContact CD1-CB 4.36Å; L341-L345 HydrophobicContact CD1-CD1 4.07Å; L341-L345 HydrophobicContact CD2-CB 4.35Å; L341-L345 HydrophobicContact CG-CB 4.21Å; L341-L346 HydrophobicContact CD2-CB 4.02Å; L341-L346 HydrophobicContact CD2-CD1 4.27Å
342P94.8Very high94.9Very high65 Ų6557.6 Ų57.642%0.42227%0.272SS..  trans-53.2126172.9-27.434.4000111.4K344 L345 L346P342-K344 PolarHBondContact O-N 3.41Å; P342-L345 HydrophobicContact CB-CD1 4.34Å; P342-L345 HydrophobicContact CB-CG 4.26Å; P342-L345 HydrophobicContact CG-CD1 4.15Å; P342-L345 WeakPolarHBondContact O-CB 3.4Å; P342-L345 PolarHBondContact O-N 3.47Å; P342-L346 PolarHBondContact O-N 3.28Å
343Q91.6Very high95.2Very high63 Ų6350.9 Ų50.929%0.29424%0.241SC..Hα-helixtrans-52.4-34-174.6-73.2-71.4-31.800113.6L341 L346 R347 T367L341-Q343 PolarHBondContact O-N 3.08Å; Q343-L346 PolarHBondContact O-N 3.09Å; Q343-R347 VanDerWaalsContact O-CG 3.31Å; Q343-R347 WeakPolarHBondContact O-CG 3.45Å; Q343-R347 PolarHBondContact O-N 2.81Å; Q343-T367 PolarHBondContact NE2-O 2.74Å; Q343-T367 VanDerWaalsContact NE2-O 3.08Å
344K93.9Very high95.2Very high145 Ų14550.7 Ų50.763%0.6324%0.238SC*.Hα-helixtrans-59-48.6174-178.5178.4174.7-178.40112.1P342 L346 R347 E348P342-K344 PolarHBondContact O-N 3.41Å; K344-L346 VanDerWaalsContact C-N 3.32Å; K344-L346 PolarHBondContact O-N 3.31Å; K344-R347 PolarHBondContact O-N 3.14Å; K344-E348 WeakPolarHBondContact CE-OE1 3.49Å; K344-E348 WeakPolarHBondContact CG-OE1 3.31Å; K344-E348 IonicContact NZ-OE1 2.93Å; K344-E348 WeakPolarHBondContact O-CG 3.33Å; K344-E348 PolarHBondContact O-N 2.82Å; K344-E348 VanDerWaalsContact O-N 3.14Å
345L96.3Very high95.3Very high18 Ų1850.5 Ų50.59%0.09424%0.237CC..Hα-helixtrans-63.7-40.7-179.4-63.2-178000111.2V262 R263 L266 L341 P342 E348 L349V262-L345 HydrophobicContact CG1-CB 3.98Å; R263-L345 HydrophobicContact CG-CD1 3.86Å; R263-L345 HydrophobicContact CG-CD2 3.74Å; R263-L345 HydrophobicContact CG-CG 4.49Å; L266-L345 HydrophobicContact CD1-CB 4.42Å; L266-L345 HydrophobicContact CD1-CD2 3.63Å; L341-L345 HydrophobicContact CD1-CB 4.36Å; L341-L345 HydrophobicContact CD1-CD1 4.07Å; L341-L345 HydrophobicContact CD2-CB 4.35Å; L341-L345 HydrophobicContact CG-CB 4.21Å; P342-L345 HydrophobicContact CB-CD1 4.34Å; P342-L345 HydrophobicContact CB-CG 4.26Å; P342-L345 HydrophobicContact CG-CD1 4.15Å; P342-L345 WeakPolarHBondContact O-CB 3.4Å; P342-L345 PolarHBondContact O-N 3.47Å; L345-E348 PolarHBondContact O-N 3.01Å; L345-L349 VanDerWaalsContact O-CB 3.26Å; L345-L349 WeakPolarHBondContact O-CB 3.41Å; L345-L349 PolarHBondContact O-N 3.17Å
346L94.3Very high95.4Very high1 Ų148.3 Ų48.31%0.00523%0.227CC..Hα-helixtrans-63.7-45.3178-175.561.9000111.9L338 L341 P342 Q343 K344 E348 L349 L350 T367L338-L346 HydrophobicContact CD2-CD1 4.08Å; L341-L346 HydrophobicContact CD2-CB 4.02Å; L341-L346 HydrophobicContact CD2-CD1 4.27Å; P342-L346 PolarHBondContact O-N 3.28Å; Q343-L346 PolarHBondContact O-N 3.09Å; K344-L346 VanDerWaalsContact C-N 3.32Å; K344-L346 PolarHBondContact O-N 3.31Å; L346-E348 PolarHBondContact O-N 3.11Å; L346-L349 PolarHBondContact O-N 3.07Å; L346-L349 VanDerWaalsContact O-N 3.11Å; L346-L350 HydrophobicContact CD1-CD2 4.25Å; L346-L350 HydrophobicContact CD1-CG 4.14Å; L346-L350 HydrophobicContact CG-CD1 4.29Å; L346-L350 HydrophobicContact CG-CG 4.34Å; L346-L350 WeakPolarHBondContact O-CG 3Å; L346-L350 PolarHBondContact O-N 3.13Å; L346-T367 HydrophobicContact CD2-CG2 3.37Å; L346-T367 VanDerWaalsContact CD2-OG1 3.29Å; L346-T367 WeakPolarHBondContact CD2-OG1 3.45Å
347R92.9Very high95.6Very high178 Ų17842.3 Ų42.367%0.67220%0.204SC*.Hα-helixtrans-60.7-32.5177.7-73.3176.3-169.1171.92.5113Q343 K344 P351Q343-R347 VanDerWaalsContact O-CG 3.31Å; Q343-R347 WeakPolarHBondContact O-CG 3.45Å; Q343-R347 PolarHBondContact O-N 2.81Å; K344-R347 PolarHBondContact O-N 3.14Å; R347-P351 WeakPolarHBondContact O-CD 3.4Å; R347-P351 VanDerWaalsContact O-CG 3.32Å; R347-P351 WeakPolarHBondContact O-CG 3.41Å
348E95.6Very high95.5Very high88 Ų8841.5 Ų41.541%0.41121%0.206SC..Hα-helixtrans-81.6-28176-69.6171.7-16100112.3L266 K344 L345 L346 P351L266-E348 HydrophobicContact CD1-CB 3.92Å; L266-E348 HydrophobicContact CD2-CB 3.8Å; K344-E348 WeakPolarHBondContact CE-OE1 3.49Å; K344-E348 WeakPolarHBondContact CG-OE1 3.31Å; K344-E348 IonicContact NZ-OE1 2.93Å; K344-E348 WeakPolarHBondContact O-CG 3.33Å; K344-E348 PolarHBondContact O-N 2.82Å; K344-E348 VanDerWaalsContact O-N 3.14Å; L345-E348 PolarHBondContact O-N 3.01Å; L346-E348 PolarHBondContact O-N 3.11Å; E348-P351 WeakPolarHBondContact O-CD 3.3Å
349L96.8Very high95.5Very high0 Ų041.1 Ų41.10%020%0.204CC..Hα-helixtrans-75-46.4180-176.767.6000112.5M212 L215 V262 L265 L266 L345 L346 K352 Y353M212-L349 HydrophobicContact SD-CD2 4.17Å; L215-L349 HydrophobicContact CD2-CD1 4.34Å; L215-L349 HydrophobicContact CD2-CD2 3.92Å; V262-L349 HydrophobicContact CG1-CB 4.27Å; V262-L349 HydrophobicContact CG1-CD1 4.25Å; V262-L349 HydrophobicContact CG1-CD2 3.99Å; V262-L349 HydrophobicContact CG1-CG 4.41Å; V262-L349 HydrophobicContact CG2-CD2 3.98Å; L265-L349 HydrophobicContact CB-CD1 4.34Å; L265-L349 HydrophobicContact CD1-CD1 4.25Å; L266-L349 HydrophobicContact CD2-CB 4.16Å; L266-L349 HydrophobicContact CD2-CD1 4.35Å; L345-L349 VanDerWaalsContact O-CB 3.26Å; L345-L349 WeakPolarHBondContact O-CB 3.41Å; L345-L349 PolarHBondContact O-N 3.17Å; L346-L349 PolarHBondContact O-N 3.07Å; L346-L349 VanDerWaalsContact O-N 3.11Å; L349-K352 WeakPolarHBondContact O-CB 3.42Å; L349-K352 PolarHBondContact O-N 2.88Å; L349-Y353 HydrophobicContact CD1-CD2 4.29Å; L349-Y353 HydrophobicContact CD1-CE2 3.74Å; L349-Y353 HydrophobicContact CG-CD2 4.44Å; L349-Y353 HydrophobicContact CG-CE2 4.31Å
350L96.1Very high95.5Very high26 Ų2640.2 Ų40.214%0.13620%0.197CC..Hα-helixtrans-53.9-43.6-176-67.2174.2000113.3M212 L346 K352 Y353 I354 F357 P365M212-L350 HydrophobicContact SD-CD2 4.15Å; L346-L350 HydrophobicContact CD1-CD2 4.25Å; L346-L350 HydrophobicContact CD1-CG 4.14Å; L346-L350 HydrophobicContact CG-CD1 4.29Å; L346-L350 HydrophobicContact CG-CG 4.34Å; L346-L350 WeakPolarHBondContact O-CG 3Å; L346-L350 PolarHBondContact O-N 3.13Å; L350-K352 VanDerWaalsContact C-N 3.26Å; L350-K352 PolarHBondContact O-N 3.18Å; L350-Y353 CarbonylContact O-C 3.59Å; L350-Y353 PolarHBondContact O-N 3.22Å; L350-I354 PolarHBondContact O-N 3.11Å; L350-I354 VanDerWaalsContact O-N 3.12Å; L350-F357 HydrophobicContact CD2-CE2 3.99Å; L350-F357 HydrophobicContact CD2-CZ 4.01Å; L350-P365 HydrophobicContact CD1-CG 4.42Å; L350-P365 HydrophobicContact CD2-CG 3.71Å
351P96.1Very high95.6Very high37 Ų3738.3 Ų38.324%0.2419%0.189CC..Hα-helixtrans-55.5-33.1174.8-28.135.7000115L58 R347 E348 Y353 I354L58-P351 HydrophobicContact CD1-CB 3.51Å; R347-P351 WeakPolarHBondContact O-CD 3.4Å; R347-P351 VanDerWaalsContact O-CG 3.32Å; R347-P351 WeakPolarHBondContact O-CG 3.41Å; E348-P351 WeakPolarHBondContact O-CD 3.3Å; P351-Y353 PolarHBondContact O-N 2.89Å; P351-I354 VanDerWaalsContact O-CG2 3.24Å; P351-I354 WeakPolarHBondContact O-CG2 3.36Å; P351-I354 PolarHBondContact O-N 2.93Å
352K96.6Very high95.6Very high53 Ų5339.3 Ų39.323%0.2319%0.192CC..Hα-helixtrans-65.6-25.7177.2-71.1-164.5-173.8-104.40113.2L265 L266 E268 V270 M273 P279 L349 L350L265-K352 WeakPolarHBondContact O-CE 3.3Å; L265-K352 PolarHBondContact O-NZ 3.37Å; L265-K352 VanDerWaalsContact O-NZ 3.14Å; L266-K352 VanDerWaalsContact CA-CE 3.46Å; L266-K352 VanDerWaalsContact O-CE 3.26Å; L266-K352 WeakPolarHBondContact O-CE 3.34Å; L266-K352 PolarHBondContact O-NZ 3.12Å; E268-K352 PolarHBondContact O-NZ 3.19Å; V270-K352 HydrophobicContact CG2-CB 4.36Å; V270-K352 HydrophobicContact CG2-CD 4.1Å; V270-K352 HydrophobicContact CG2-CG 4.25Å; M273-K352 HydrophobicContact CE-CD 3.8Å; P279-K352 WeakPolarHBondContact CG-O 3.23Å; L349-K352 WeakPolarHBondContact O-CB 3.42Å; L349-K352 PolarHBondContact O-N 2.88Å; L350-K352 VanDerWaalsContact C-N 3.26Å; L350-K352 PolarHBondContact O-N 3.18Å
353Y97.9Very high95.6Very high1 Ų141 Ų410%0.00420%0.203CC..THydrogen-bonded Turntrans-1109.2-179.4-63.7-89.3000112.7M212 L215 W277 P279 L349 L350 P351 L355 D356 F357M212-Y353 HydrophobicContact CE-CD2 4.01Å; M212-Y353 HydrophobicContact CE-CG 4.13Å; L215-Y353 WeakPolarHBondContact CD1-OH 3.44Å; L215-Y353 HydrophobicContact CD2-CE2 4.16Å; W277-Y353 VanDerWaalsContact O-CE1 3.26Å; W277-Y353 WeakPolarHBondContact O-CE1 3.15Å; W277-Y353 PolarHBondContact O-OH 3.5Å; P279-Y353 HydrophobicContact CB-CD1 3.92Å; P279-Y353 HydrophobicContact CB-CE1 4.22Å; P279-Y353 HydrophobicContact CG-CD1 3.77Å; P279-Y353 HydrophobicContact CG-CE1 3.78Å; P279-Y353 HydrophobicContact CG-CG 4.44Å; L349-Y353 HydrophobicContact CD1-CD2 4.29Å; L349-Y353 HydrophobicContact CD1-CE2 3.74Å; L349-Y353 HydrophobicContact CG-CD2 4.44Å; L349-Y353 HydrophobicContact CG-CE2 4.31Å; L350-Y353 CarbonylContact O-C 3.59Å; L350-Y353 PolarHBondContact O-N 3.22Å; P351-Y353 PolarHBondContact O-N 2.89Å; Y353-L355 PolarHBondContact O-N 2.9Å; Y353-L355 VanDerWaalsContact O-N 3.13Å; Y353-D356 WeakPolarHBondContact O-CB 3.41Å; Y353-D356 PolarHBondContact O-N 3.38Å; Y353-F357 VanDerWaalsContact O-CD2 3.3Å; Y353-F357 WeakPolarHBondContact O-CD2 3.38Å; Y353-F357 PolarHBondContact O-N 3.4Å
354I96.4Very high95.7Very high31 Ų3142.3 Ų42.316%0.15921%0.212CC..Hα-helixtrans-59.3-32.8-170.5-165.859000113.6L350 P351 D356 F357 S358 L364L350-I354 PolarHBondContact O-N 3.11Å; L350-I354 VanDerWaalsContact O-N 3.12Å; P351-I354 VanDerWaalsContact O-CG2 3.24Å; P351-I354 WeakPolarHBondContact O-CG2 3.36Å; P351-I354 PolarHBondContact O-N 2.93Å; I354-D356 VanDerWaalsContact C-N 3.34Å; I354-F357 PolarHBondContact O-N 3.08Å; I354-S358 WeakPolarHBondContact O-CB 3.45Å; I354-S358 PolarHBondContact O-N 3.02Å; I354-S358 PolarHBondContact O-OG 3.12Å; I354-L364 HydrophobicContact CD1-CD2 4.13Å
355L96.3Very high95.7Very high18 Ų1836.6 Ų36.69%0.09419%0.19CC..Hα-helixtrans-69-32.8176.6-69.4179.9000112M64 M112 Y281 Y353 S358 L359M64-L355 HydrophobicContact CE-CD2 4.29Å; M112-L355 HydrophobicContact CE-CD2 3.94Å; Y281-L355 HydrophobicContact CD1-CB 4.48Å; Y281-L355 HydrophobicContact CD1-CD1 3.56Å; Y281-L355 HydrophobicContact CD2-CB 4.39Å; Y281-L355 HydrophobicContact CD2-CD1 4.13Å; Y281-L355 HydrophobicContact CE1-CD1 3.63Å; Y281-L355 HydrophobicContact CE2-CD1 4.17Å; Y281-L355 HydrophobicContact CG-CB 4.04Å; Y281-L355 HydrophobicContact CG-CD1 3.83Å; Y353-L355 PolarHBondContact O-N 2.9Å; Y353-L355 VanDerWaalsContact O-N 3.13Å; L355-S358 PolarHBondContact O-N 3.35Å; L355-L359 HydrophobicContact CB-CD1 4.23Å; L355-L359 WeakPolarHBondContact O-CB 3.47Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 3.23Å
356D98.1Very high95.3Very high0 Ų039.9 Ų39.90%021%0.207CC..Hα-helixtrans-67.3-43.5175.4-65.8-7.4000110.5P211 P279 I280 Y281 Y353 I354 F360P211-D356 HydrophobicContact CB-CB 4.34Å; P211-D356 HydrophobicContact CG-CB 3.68Å; P279-D356 VanDerWaalsContact CA-OD2 3.3Å; P279-D356 WeakPolarHBondContact CA-OD2 3.39Å; P279-D356 WeakPolarHBondContact CB-OD2 3.43Å; I280-D356 VanDerWaalsContact N-CG 3.28Å; I280-D356 PolarHBondContact N-OD1 3.26Å; I280-D356 VanDerWaalsContact N-OD1 3.08Å; I280-D356 PolarHBondContact N-OD2 2.91Å; Y281-D356 WeakPolarHBondContact CB-OD1 3.42Å; Y281-D356 PolarHBondContact N-OD1 3.49Å; Y353-D356 WeakPolarHBondContact O-CB 3.41Å; Y353-D356 PolarHBondContact O-N 3.38Å; I354-D356 VanDerWaalsContact C-N 3.34Å; D356-F360 HydrophobicContact CB-CD2 4.2Å; D356-F360 HydrophobicContact CB-CE2 4.44Å; D356-F360 WeakPolarHBondContact O-CB 3.43Å; D356-F360 WeakPolarHBondContact O-CD2 3.47Å; D356-F360 PolarHBondContact O-N 3.36Å
357F97.3Very high95Very high4 Ų440.8 Ų40.82%0.01821%0.213CC..Hα-helixtrans-60-50.1174.5-71.8-76.5000111.5E210 P211 M212 L350 Y353 I354 A361 Y362 P363 L364E210-F357 VanDerWaalsContact OE1-CE1 3.22Å; E210-F357 WeakPolarHBondContact OE1-CE1 3.12Å; P211-F357 HydrophobicContact CB-CD2 4.37Å; P211-F357 HydrophobicContact CB-CE1 4.15Å; P211-F357 HydrophobicContact CB-CE2 3.85Å; P211-F357 HydrophobicContact CB-CZ 3.74Å; P211-F357 HydrophobicContact CG-CD1 3.87Å; P211-F357 HydrophobicContact CG-CD2 4.03Å; P211-F357 HydrophobicContact CG-CE1 3.79Å; P211-F357 HydrophobicContact CG-CE2 3.96Å; P211-F357 HydrophobicContact CG-CG 3.99Å; P211-F357 HydrophobicContact CG-CZ 3.85Å; M212-F357 HydrophobicContact CE-CE2 4.18Å; M212-F357 HydrophobicContact CE-CZ 4.09Å; M212-F357 HydrophobicContact CG-CZ 4.02Å; L350-F357 HydrophobicContact CD2-CE2 3.99Å; L350-F357 HydrophobicContact CD2-CZ 4.01Å; Y353-F357 VanDerWaalsContact O-CD2 3.3Å; Y353-F357 WeakPolarHBondContact O-CD2 3.38Å; Y353-F357 PolarHBondContact O-N 3.4Å; I354-F357 PolarHBondContact O-N 3.08Å; F357-A361 PolarHBondContact O-N 3.09Å; F357-Y362 PolarHBondContact O-N 3.24Å; F357-P363 WeakPolarHBondContact CD1-O 3.43Å; F357-P363 WeakPolarHBondContact CE1-O 3.44Å; F357-L364 HydrophobicContact CB-CD2 4.26Å; F357-L364 HydrophobicContact CD1-CD2 4.08Å; F357-L364 HydrophobicContact CD2-CD2 3.85Å; F357-L364 HydrophobicContact CE1-CD2 4.36Å; F357-L364 HydrophobicContact CE2-CD2 4.15Å; F357-L364 HydrophobicContact CG-CD2 3.81Å; F357-L364 HydrophobicContact CZ-CD2 4.39Å
358S94.9Very high94.7Very high35 Ų3535.8 Ų35.825%0.24520%0.203CC..Hα-helixtrans-69.4-54.2-172.8-53.50000112T108 I354 L355 F360 A361T108-S358 WeakPolarHBondContact CG2-O 3.07Å; I354-S358 WeakPolarHBondContact O-CB 3.45Å; I354-S358 PolarHBondContact O-N 3.02Å; I354-S358 PolarHBondContact O-OG 3.12Å; L355-S358 PolarHBondContact O-N 3.35Å; S358-F360 VanDerWaalsContact C-N 3.32Å; S358-F360 PolarHBondContact O-N 3.47Å; S358-A361 PolarHBondContact O-N 2.86Å
359L94.9Very high94.1Very high0 Ų036.7 Ų36.70%021%0.214CC..Hα-helixtrans-68.3-32.3-174.2-69.9166.8000112.4I109 M112 Y281 P286 L355I109-L359 HydrophobicContact CG1-CB 4.19Å; I109-L359 HydrophobicContact CG1-CD2 4.06Å; I109-L359 WeakPolarHBondContact CG1-O 3.11Å; M112-L359 HydrophobicContact CB-CD2 3.78Å; M112-L359 HydrophobicContact CE-CD2 4.1Å; M112-L359 HydrophobicContact CE-CG 4.31Å; M112-L359 HydrophobicContact CG-CD2 4.19Å; M112-L359 HydrophobicContact SD-CD2 3.48Å; M112-L359 WeakPolarHBondContact SD-CD2 3.32Å; M112-L359 HydrophobicContact SD-CG 4.03Å; Y281-L359 HydrophobicContact CD2-CD1 3.42Å; Y281-L359 VanDerWaalsContact CD2-CD1 3.42Å; Y281-L359 HydrophobicContact CE2-CD1 3.98Å; Y281-L359 HydrophobicContact CG-CD1 4.35Å; P286-L359 HydrophobicContact CG-CD1 4.07Å; L355-L359 HydrophobicContact CB-CD1 4.23Å; L355-L359 WeakPolarHBondContact O-CB 3.47Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 3.23Å
360F96.3Very high93.6Very high1 Ų144 Ų440%0.00425%0.248CC..Hα-helixtrans-1017.1-174.7-52.7-52000114.4R105 I109 M206 V208 I280 P286 I294 D356 S358 Y362R105-F360 PolarHBondContact NE-O 2.9Å; R105-F360 VanDerWaalsContact NE-O 3.15Å; R105-F360 PolarHBondContact NH2-O 2.95Å; R105-F360 VanDerWaalsContact NH2-O 3.13Å; I109-F360 HydrophobicContact CD1-CD1 4.31Å; I109-F360 HydrophobicContact CD1-CE1 4.26Å; M206-F360 HydrophobicContact CE-CE1 4.37Å; M206-F360 HydrophobicContact CE-CZ 4.03Å; V208-F360 HydrophobicContact CB-CB 4.32Å; V208-F360 HydrophobicContact CB-CD1 4.44Å; V208-F360 HydrophobicContact CB-CD2 4.31Å; V208-F360 HydrophobicContact CB-CG 4.1Å; V208-F360 HydrophobicContact CG1-CB 4.33Å; V208-F360 HydrophobicContact CG1-CD1 3.58Å; V208-F360 HydrophobicContact CG1-CD2 3.81Å; V208-F360 HydrophobicContact CG1-CE1 3.71Å; V208-F360 HydrophobicContact CG1-CE2 3.97Å; V208-F360 HydrophobicContact CG1-CG 3.63Å; V208-F360 HydrophobicContact CG1-CZ 3.9Å; V208-F360 HydrophobicContact CG2-CB 4.13Å; V208-F360 HydrophobicContact CG2-CG 4.31Å; I280-F360 HydrophobicContact CB-CE2 3.82Å; I280-F360 HydrophobicContact CG2-CE2 3.65Å; I280-F360 HydrophobicContact CG2-CZ 3.96Å; P286-F360 HydrophobicContact CG-CE1 4.35Å; P286-F360 HydrophobicContact CG-CZ 4.09Å; I294-F360 HydrophobicContact CD1-CE1 4.31Å; I294-F360 HydrophobicContact CG2-CD1 4.26Å; I294-F360 HydrophobicContact CG2-CE1 4.41Å; D356-F360 HydrophobicContact CB-CD2 4.2Å; D356-F360 HydrophobicContact CB-CE2 4.44Å; D356-F360 WeakPolarHBondContact O-CB 3.43Å; D356-F360 WeakPolarHBondContact O-CD2 3.47Å; D356-F360 PolarHBondContact O-N 3.36Å; S358-F360 VanDerWaalsContact C-N 3.32Å; S358-F360 PolarHBondContact O-N 3.47Å; F360-Y362 HydrophobicContact CB-CD2 3.77Å; F360-Y362 HydrophobicContact CB-CE2 3.66Å
361A95.2Very high93.2Very high32 Ų3246.5 Ų46.526%0.26426%0.259SS..THydrogen-bonded Turntrans6139.4176.500000113.7L101 I104 F357 S358L101-A361 HydrophobicContact CD1-CB 3.95Å; I104-A361 HydrophobicContact CG2-CB 3.88Å; F357-A361 PolarHBondContact O-N 3.09Å; S358-A361 PolarHBondContact O-N 2.86Å
362Y95.9Very high92.9Very high29 Ų2945.8 Ų45.811%0.11425%0.254CS..PPolyproline II helixtrans-90.6137171-68.7-72000110.9V208 R209 E210 P211 E298 F357 F360V208-Y362 HydrophobicContact CB-CE2 4.21Å; V208-Y362 HydrophobicContact CG2-CE2 4.02Å; V208-Y362 WeakPolarHBondContact CG2-OH 3.47Å; V208-Y362 PolarHBondContact O-OH 3.02Å; R209-Y362 VanDerWaalsContact C-CE2 3.5Å; R209-Y362 VanDerWaalsContact C-OH 3.31Å; R209-Y362 WeakPolarHBondContact CA-OH 3.37Å; R209-Y362 PolarHBondContact N-OH 2.96Å; R209-Y362 WeakPolarHBondContact O-CE2 3.28Å; E210-Y362 HydrophobicContact CB-CD1 3.89Å; E210-Y362 HydrophobicContact CB-CE1 3.97Å; E210-Y362 HydrophobicContact CG-CD1 4.05Å; E210-Y362 HydrophobicContact CG-CG 4.48Å; E210-Y362 VanDerWaalsContact N-CZ 3.27Å; P211-Y362 HydrophobicContact CG-CD2 4.48Å; E298-Y362 PolarHBondContact OE2-OH 2.88Å; E298-Y362 VanDerWaalsContact OE2-OH 3.13Å; F357-Y362 PolarHBondContact O-N 3.24Å; F360-Y362 HydrophobicContact CB-CD2 3.77Å; F360-Y362 HydrophobicContact CB-CE2 3.66Å
363P94.3Very high92.2Very high101 Ų10151.8 Ų51.866%0.65628%0.276SS*.PPolyproline II helixtrans-68.2148.517230.6-34.3000110.4F357F357-P363 WeakPolarHBondContact CD1-O 3.43Å; F357-P363 WeakPolarHBondContact CE1-O 3.44Å
364L94.3Very high90.6Very high90 Ų9060.9 Ų60.947%0.47132%0.318SS..PPolyproline II helixtrans-65143.5166.9-68.8174.8000109.7I354 F357 N366I354-L364 HydrophobicContact CD1-CD2 4.13Å; F357-L364 HydrophobicContact CB-CD2 4.26Å; F357-L364 HydrophobicContact CD1-CD2 4.08Å; F357-L364 HydrophobicContact CD2-CD2 3.85Å; F357-L364 HydrophobicContact CE1-CD2 4.36Å; F357-L364 HydrophobicContact CE2-CD2 4.15Å; F357-L364 HydrophobicContact CG-CD2 3.81Å; F357-L364 HydrophobicContact CZ-CD2 4.39Å; L364-N366 PolarHBondContact O-N 2.82Å
365P92.9Very high90.3Very high26 Ų2662.4 Ų62.417%0.16933%0.326CS..PPolyproline II helixtrans-65.5133.2-179.427.2-35.1000111M212 L338 L350 T367M212-P365 HydrophobicContact CG-CG 4.21Å; L338-P365 HydrophobicContact CD1-CB 3.73Å; L338-P365 HydrophobicContact CD1-CG 4.29Å; L350-P365 HydrophobicContact CD1-CG 4.42Å; L350-P365 HydrophobicContact CD2-CG 3.71Å; P365-T367 HydrophobicContact CB-CG2 4.27Å; P365-T367 PolarHBondContact O-N 3.14Å
366N88.9Confident89.9Confident86 Ų8664.7 Ų64.746%0.4634%0.338SS..  trans-71.6114.8170.7-174.1-6.5000108.7L364 T368 H371L364-N366 PolarHBondContact O-N 2.82Å; N366-T368 WeakPolarHBondContact OD1-CG2 3.27Å; N366-T368 PolarHBondContact OD1-N 2.57Å; N366-T368 PolarHBondContact OD1-OG1 3.12Å; N366-H371 PolarHBondContact O-CD2 2.98Å; N366-H371 PolarHBondContact O-NE2 2.82Å; N366-H371 WeakPolarHBondContact OD1-CB 3.06Å
367T87.2Confident89.5Confident21 Ų2168.3 Ų68.313%0.12936%0.357CS..  trans-131.826.1-179.752.20000111.9L338 Q343 L346 P365L338-T367 HydrophobicContact CB-CG2 4.13Å; Q343-T367 PolarHBondContact NE2-O 2.74Å; Q343-T367 VanDerWaalsContact NE2-O 3.08Å; L346-T367 HydrophobicContact CD2-CG2 3.37Å; L346-T367 VanDerWaalsContact CD2-OG1 3.29Å; L346-T367 WeakPolarHBondContact CD2-OG1 3.45Å; P365-T367 HydrophobicContact CB-CG2 4.27Å; P365-T367 PolarHBondContact O-N 3.14Å
368T86.2Confident89Confident73 Ų7372.1 Ų72.145%0.44838%0.377SS..  trans-58.8151.417357.60000110.7N366 E370 H371 C372N366-T368 WeakPolarHBondContact OD1-CG2 3.27Å; N366-T368 PolarHBondContact OD1-N 2.57Å; N366-T368 PolarHBondContact OD1-OG1 3.12Å; T368-E370 PolarHBondContact O-N 2.95Å; T368-H371 PolarHBondContact O-N 3.01Å; T368-H371 VanDerWaalsContact O-N 3.07Å; T368-H371 VanDerWaalsContact OG1-CB 3.23Å; T368-H371 WeakPolarHBondContact OG1-CB 2.98Å; T368-H371 PolarHBondContact OG1-N 3.35Å; T368-C372 PolarHBondContact O-N 3.27Å
369T83.8Confident88.7Confident106 Ų10674.4 Ų74.465%0.6539%0.385SS*.THydrogen-bonded Turntrans-56.1-36.2177.6-52.60000111.7C372 R373T369-C372 PolarHBondContact O-N 3.46Å; T369-R373 WeakPolarHBondContact O-CG 3.47Å; T369-R373 PolarHBondContact O-N 3.3Å
370E86.7Confident88.2Confident153 Ų15379.3 Ų79.372%0.71541%0.41SS*.THydrogen-bonded Turntrans-64.3-46.9175.4-176.2175.4-170.600112.1T368 C372 R373T368-E370 PolarHBondContact O-N 2.95Å; E370-C372 VanDerWaalsContact C-N 3.26Å; E370-C372 PolarHBondContact O-N 2.74Å; E370-R373 PolarHBondContact O-N 2.78Å
371H87.6Confident87.7Confident80 Ų8084.9 Ų84.937%0.3744%0.439SS..THydrogen-bonded Turntrans-66.1-28.2178.4-171.775.2000113.4H335 N366 T368H335-H371 AromaticContact CD2-CD2 3.65Å; H335-H371 AromaticContact CD2-NE2 3.34Å; H335-H371 PolarHBondContact CD2-NE2 3.26Å; H335-H371 VanDerWaalsContact CD2-NE2 3.34Å; H335-H371 AromaticContact NE2-CD2 3.66Å; H335-H371 AromaticContact NE2-NE2 3.72Å; H335-H371 PolarHBondContact NE2-O 3.18Å; N366-H371 PolarHBondContact O-CD2 2.98Å; N366-H371 PolarHBondContact O-NE2 2.82Å; N366-H371 WeakPolarHBondContact OD1-CB 3.06Å; T368-H371 PolarHBondContact O-N 3.01Å; T368-H371 VanDerWaalsContact O-N 3.07Å; T368-H371 VanDerWaalsContact OG1-CB 3.23Å; T368-H371 WeakPolarHBondContact OG1-CB 2.98Å; T368-H371 PolarHBondContact OG1-N 3.35Å
372C89.7Confident87.1Confident21 Ų2189 Ų8914%0.14245%0.453CS..THydrogen-bonded Turntrans-95.911.2-180-69.90000114.2C339 T368 T369 E370C339-C372 WeakPolarHBondContact CA-SG 3.3Å; C339-C372 HydrophobicContact CB-CB 3.48Å; C339-C372 VanDerWaalsContact CB-CB 3.48Å; C339-C372 WeakPolarHBondContact CB-SG 3.41Å; C339-C372 WeakPolarHBondContact SG-CA 3.36Å; C339-C372 WeakPolarHBondContact SG-CB 3.26Å; C339-C372 CovalentContact SG-SG 2.04Å; C339-C372 PolarHBondContact SG-SG 3.19Å; T368-C372 PolarHBondContact O-N 3.27Å; T369-C372 PolarHBondContact O-N 3.46Å; E370-C372 VanDerWaalsContact C-N 3.26Å; E370-C372 PolarHBondContact O-N 2.74Å
373R81.3Confident86.4Confident180 Ų18094 Ų9468%0.67948%0.481SS*.  trans-72.8129.8169.8-82.5166.5-174.4171.70.5109.4T369 E370T369-R373 WeakPolarHBondContact O-CG 3.47Å; T369-R373 PolarHBondContact O-N 3.3Å; E370-R373 PolarHBondContact O-N 2.78Å
374H63.4Low85.6Confident191 Ų19193.4 Ų93.488%0.88447%0.465SS*.  trans-1040174.6-70.1-60.8000110.6H335H335-H374 AromaticContact CE1-CE1 3.58Å; H335-H374 AromaticContact ND1-CE1 3.67Å

Retrieved 374 of 374 residues in 78.7 ms (Link to these results)