X6RJ50_HUMAN Loading...

Coiled-coil domain-containing protein 181

Microtubule-binding protein that is essential for the integrity and function of the manchette, facilitating proper sperm head shaping and subsequent flagellum formation during spermatogenesis.

AlphaFold DB , UniProt , Accession X6RJ50, Species HUMAN (Homo sapiens, Human), Gene CCDC181, Length 356 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
1M40.4Very low47Very low239 Ų239168.5 Ų168.5100%1.17786%0.856SS**  0109.80-82.4-173171.700107.5
2N42.2Very low47.3Very low166 Ų166162 Ų16289%0.88884%0.837SS**  trans49.9124156.1-61.87.8000121.7
3E42.8Very low47.4Very low191 Ų191160.5 Ų160.589%0.89382%0.824SS**PPolyproline II helixtrans-75.1165.1-176.9-72.6160.4141.200114.1
4N43.6Very low47.7Very low157 Ų157160.7 Ų160.784%0.8482%0.819SS**PPolyproline II helixtrans-56.5138.2175.1-61.9-46.7000112.2
5K55.9Low48.3Very low198 Ų198163.1 Ų163.186%0.86182%0.816SS**PPolyproline II helixtrans-65.6124.7151.2-73.1-170.9173.3-174.10107.1
6D51.3Low49.1Very low144 Ų144163.6 Ų163.677%0.7782%0.815SS**  trans-164123.1137.5-87.3-33000110.1
7T51.8Low49.7Very low130 Ų130158.2 Ų158.280%0.79879%0.79SS**  trans44.9102.8148.862.60000118.7
8D41.8Very low50.8Low156 Ų156155.7 Ų155.783%0.83478%0.779SS**  trans-126.484.3148.3-151.56.3000108.5K10D8-K10 VanDerWaalsContact C-N 3.29Å; D8-K10 PolarHBondContact O-N 3.42Å
9S50.7Low51.6Low112 Ų112156.6 Ų156.678%0.78378%0.778SS**  trans-6994.4166.4-179.70000106.6K11S9-K11 PolarHBondContact O-N 3.13Å
10K48.2Very low52.3Low180 Ų180154.3 Ų154.378%0.78377%0.765SS**  trans-47106.2169.7-75.7176.6174.8176.80109.4D8 S12D8-K10 VanDerWaalsContact C-N 3.29Å; D8-K10 PolarHBondContact O-N 3.42Å; K10-S12 PolarHBondContact O-N 2.83Å; K10-S12 VanDerWaalsContact O-N 3.09Å
11K48.5Very low52.9Low181 Ų181153.8 Ų153.879%0.78776%0.759SS**  trans-7980.8162.8-146.2-179-174.3-165.30105.7S9 E13S9-K11 PolarHBondContact O-N 3.13Å; K11-E13 PolarHBondContact O-N 3.11Å
12S50.4Low54.7Low90 Ų90147 Ų14763%0.62973%0.727SS**  trans-70.286.6160.746.40000106.4K10 E14K10-S12 PolarHBondContact O-N 2.83Å; K10-S12 VanDerWaalsContact O-N 3.09Å; S12-E14 PolarHBondContact O-N 3.34Å
13E48.1Very low56.2Low143 Ų143143.9 Ų143.967%0.66871%0.71SS**  trans-75.880.2165.4-168.7163.3-16400106K11 Y15K11-E13 PolarHBondContact O-N 3.11Å; E13-Y15 PolarHBondContact O-N 3.01Å
14E52.2Low57.4Low163 Ų163140.3 Ų140.376%0.76269%0.693SS**  trans-65.4113.5169-89.5170.1162.400108S12 E16S12-E14 PolarHBondContact O-N 3.34Å; E14-E16 PolarHBondContact O-N 3.37Å
15Y56.2Low58.6Low196 Ų196141.6 Ų141.677%0.76969%0.686SS**  trans-74.872.4164.6-91.7-98.1000108.7E13E13-Y15 PolarHBondContact O-N 3.01Å
16E61.7Low59.1Low171 Ų171137.5 Ų137.580%0.79967%0.673SS**  trans-139.780.7164.5-68.4-156.2-160.600106.3E14E14-E16 PolarHBondContact O-N 3.37Å
17D58.9Low59.7Low72 Ų72134.5 Ų134.539%0.38566%0.656SS.*  179.361.1129.9-124.3-35.7000116F19 E20D17-F19 VanDerWaalsContact C-N 3.31Å; D17-E20 HydrophobicContact CB-CB 4.4Å; D17-E20 VanDerWaalsContact CG-CD 3.4Å; D17-E20 VanDerWaalsContact CG-CG 3.44Å; D17-E20 VanDerWaalsContact OD1-CB 3.22Å; D17-E20 WeakPolarHBondContact OD1-CB 3.18Å; D17-E20 WeakPolarHBondContact OD1-CG 3.43Å; D17-E20 PolarHBondContact OD1-N 3.26Å; D17-E20 WeakPolarHBondContact OD2-CG 3.42Å
18D68.8Low60.3Low113 Ų113131.4 Ų131.460%0.60464%0.635SS**Hα-helixtrans-81.4-16.4167.5-69.6-32.3000111.9
19F66Low61.3Low173 Ų173130.7 Ų130.776%0.75963%0.626SS**Hα-helixtrans-78.2-36.7-179.6-72.1-80.5000112.9D17 K21 D22 L23D17-F19 VanDerWaalsContact C-N 3.31Å; F19-K21 PolarHBondContact O-N 3.39Å; F19-D22 PolarHBondContact O-N 3.35Å; F19-L23 PolarHBondContact O-N 2.77Å
20E66.8Low61.5Low111 Ų111129.1 Ų129.152%0.51961%0.609SS.*Hα-helixtrans-63.6-32.9174.5-79.2-177.3-178.400112D17 D22 L23 E24D17-E20 HydrophobicContact CB-CB 4.4Å; D17-E20 VanDerWaalsContact CG-CD 3.4Å; D17-E20 VanDerWaalsContact CG-CG 3.44Å; D17-E20 VanDerWaalsContact OD1-CB 3.22Å; D17-E20 WeakPolarHBondContact OD1-CB 3.18Å; D17-E20 WeakPolarHBondContact OD1-CG 3.43Å; D17-E20 PolarHBondContact OD1-N 3.26Å; D17-E20 WeakPolarHBondContact OD2-CG 3.42Å; E20-D22 PolarHBondContact O-N 2.89Å; E20-L23 WeakPolarHBondContact O-CB 3.43Å; E20-L23 PolarHBondContact O-N 3.28Å; E20-E24 PolarHBondContact O-N 2.94Å
21K65.1Low62Low144 Ų144126 Ų12663%0.62660%0.598SS**Hα-helixtrans-65.7-36.7176.8-75.4-157.1170.1-169.90114F19 L23 E24 W25F19-K21 PolarHBondContact O-N 3.39Å; K21-L23 VanDerWaalsContact C-N 3.27Å; K21-L23 PolarHBondContact O-N 3.03Å; K21-E24 PolarHBondContact O-N 3.38Å; K21-W25 PolarHBondContact O-N 2.96Å; K21-W25 VanDerWaalsContact O-N 3.11Å
22D77.5Confident62.4Low97 Ų97124.5 Ų124.552%0.51959%0.591SS.*Hα-helixtrans-66.6-33.6175.2-73.7-15.2000111.1F19 E20 L26F19-D22 PolarHBondContact O-N 3.35Å; E20-D22 PolarHBondContact O-N 2.89Å; D22-L26 WeakPolarHBondContact O-CD1 3.38Å; D22-L26 PolarHBondContact O-N 2.64Å
23L74.6Confident62.7Low100 Ų100122.8 Ų122.852%0.52458%0.579SS.*Hα-helixtrans-71.3-42.5174.9-64.6176.9000112.3F19 E20 K21 W25 L26 I27F19-L23 PolarHBondContact O-N 2.77Å; E20-L23 WeakPolarHBondContact O-CB 3.43Å; E20-L23 PolarHBondContact O-N 3.28Å; K21-L23 VanDerWaalsContact C-N 3.27Å; K21-L23 PolarHBondContact O-N 3.03Å; L23-W25 PolarHBondContact O-N 3.5Å; L23-L26 PolarHBondContact O-N 3.34Å; L23-I27 WeakPolarHBondContact O-CB 3.48Å; L23-I27 WeakPolarHBondContact O-CD1 3.18Å; L23-I27 WeakPolarHBondContact O-CG1 3.42Å; L23-I27 PolarHBondContact O-N 3.48Å
24E67.9Low63.1Low115 Ų115119.8 Ų119.854%0.53757%0.568SS.*Hα-helixtrans-61.1-33.9174.5-72-173.6-171.800112.1E20 K21 N28E20-E24 PolarHBondContact O-N 2.94Å; K21-E24 PolarHBondContact O-N 3.38Å; E24-N28 WeakPolarHBondContact O-CB 3.4Å; E24-N28 PolarHBondContact O-N 2.99Å; E24-N28 PolarHBondContact O-ND2 3.15Å
25W68.8Low63.2Low185 Ų185114.7 Ų114.770%0.70155%0.553SS**Hα-helixtrans-67.4-44.5175.5-17741.7000112.2K21 L23 I27 E29K21-W25 PolarHBondContact O-N 2.96Å; K21-W25 VanDerWaalsContact O-N 3.11Å; L23-W25 PolarHBondContact O-N 3.5Å; W25-I27 VanDerWaalsContact C-N 3.34Å; W25-I27 PolarHBondContact O-N 3.41Å; W25-E29 PolarHBondContact O-N 2.92Å
26L65.6Low63.2Low111 Ų111109.2 Ų109.258%0.58154%0.544SS*.Hα-helixtrans-62.5-37.9174.5-83.8154.7000112.8D22 L23D22-L26 WeakPolarHBondContact O-CD1 3.38Å; D22-L26 PolarHBondContact O-N 2.64Å; L23-L26 PolarHBondContact O-N 3.34Å
27I64.1Low62.9Low82 Ų82106.3 Ų106.342%0.42153%0.533SS..Hα-helixtrans-78.2-41.8-177.2-66.1164.5000110.9L23 W25 E29 N30 E31L23-I27 WeakPolarHBondContact O-CB 3.48Å; L23-I27 WeakPolarHBondContact O-CD1 3.18Å; L23-I27 WeakPolarHBondContact O-CG1 3.42Å; L23-I27 PolarHBondContact O-N 3.48Å; W25-I27 VanDerWaalsContact C-N 3.34Å; W25-I27 PolarHBondContact O-N 3.41Å; I27-E29 VanDerWaalsContact C-N 3.25Å; I27-E29 PolarHBondContact O-N 3.2Å; I27-N30 PolarHBondContact O-N 3.24Å; I27-N30 VanDerWaalsContact O-N 3.11Å; I27-N30 PolarHBondContact O-ND2 2.95Å; I27-E31 WeakPolarHBondContact O-CB 3.24Å; I27-E31 PolarHBondContact O-N 3.18Å
28N64.4Low62.8Low65 Ų65107.8 Ų107.835%0.34854%0.54SS..Hα-helixtrans-64.6-26-179.9-81-45.2000113.9E24 K32E24-N28 WeakPolarHBondContact O-CB 3.4Å; E24-N28 PolarHBondContact O-N 2.99Å; E24-N28 PolarHBondContact O-ND2 3.15Å; N28-K32 WeakPolarHBondContact O-CB 3.46Å; N28-K32 WeakPolarHBondContact O-CD 3.3Å; N28-K32 WeakPolarHBondContact O-CG 3.44Å; N28-K32 PolarHBondContact O-N 3.32Å
29E62.3Low62.1Low140 Ų140109.7 Ų109.765%0.65455%0.545SS*.Hα-helixtrans-72.1-37.9173.6-172.6172.7-170.500111.9W25 I27 S33W25-E29 PolarHBondContact O-N 2.92Å; I27-E29 VanDerWaalsContact C-N 3.25Å; I27-E29 PolarHBondContact O-N 3.2Å; E29-S33 PolarHBondContact O-OG 3.05Å
30N56.2Low61.5Low79 Ų79109 Ų10942%0.42255%0.546SS..Hα-helixtrans-78.8-41177.797.160.1000112.3I27 S33 D34I27-N30 PolarHBondContact O-N 3.24Å; I27-N30 VanDerWaalsContact O-N 3.11Å; I27-N30 PolarHBondContact O-ND2 2.95Å; N30-S33 PolarHBondContact O-N 2.82Å; N30-S33 PolarHBondContact O-OG 2.87Å; N30-D34 WeakPolarHBondContact O-CB 3.46Å; N30-D34 PolarHBondContact O-N 2.64Å
31E57.6Low60.8Low116 Ų116106 Ų10654%0.54254%0.54SS..Hα-helixtrans-77.1-34.1-169.4-158.5174.7-153.300112.1I27 A35I27-E31 WeakPolarHBondContact O-CB 3.24Å; I27-E31 PolarHBondContact O-N 3.18Å; E31-A35 WeakPolarHBondContact O-CB 3.47Å; E31-A35 PolarHBondContact O-N 2.99Å
32K57.2Low60Low149 Ų149102.9 Ų102.965%0.64854%0.536SS*.Hα-helixtrans-72.2-28.6175.1-70.7172.1-175.9164.70112.9N28N28-K32 WeakPolarHBondContact O-CB 3.46Å; N28-K32 WeakPolarHBondContact O-CD 3.3Å; N28-K32 WeakPolarHBondContact O-CG 3.44Å; N28-K32 PolarHBondContact O-N 3.32Å
33S56.7Low58.5Low54 Ų54105.9 Ų105.938%0.37855%0.547SS..Hα-helixtrans-78.3-43.6174.1520000110.6E29 N30 I37E29-S33 PolarHBondContact O-OG 3.05Å; N30-S33 PolarHBondContact O-N 2.82Å; N30-S33 PolarHBondContact O-OG 2.87Å; S33-I37 WeakPolarHBondContact O-CB 3.48Å; S33-I37 WeakPolarHBondContact O-CD1 3.29Å; S33-I37 WeakPolarHBondContact O-CG1 3.43Å; S33-I37 PolarHBondContact O-N 2.84Å
34D56.1Low57.4Low79 Ų79108.9 Ų108.942%0.42256%0.555SS.*Hα-helixtrans-74.7-38.8-176.7-70.8-21.9000113.5N30 S36 I37 I38N30-D34 WeakPolarHBondContact O-CB 3.46Å; N30-D34 PolarHBondContact O-N 2.64Å; D34-S36 PolarHBondContact O-N 2.85Å; D34-I37 PolarHBondContact O-N 3.05Å; D34-I38 HydrophobicContact CB-CD1 4.44Å; D34-I38 WeakPolarHBondContact O-CB 3.49Å; D34-I38 WeakPolarHBondContact O-CD1 3.47Å; D34-I38 WeakPolarHBondContact O-CG1 3.46Å; D34-I38 PolarHBondContact O-N 3.13Å
35A55.9Low56.6Low56 Ų56109.6 Ų109.646%0.46356%0.559SS.*Hα-helixtrans-64.5-39.8176.900000112.3E31 I37 E39E31-A35 WeakPolarHBondContact O-CB 3.47Å; E31-A35 PolarHBondContact O-N 2.99Å; A35-I37 VanDerWaalsContact C-N 3.3Å; A35-I37 PolarHBondContact O-N 2.82Å; A35-E39 WeakPolarHBondContact O-CB 3.32Å; A35-E39 PolarHBondContact O-N 3.35Å
36S54.2Low55.6Low82 Ų82108.4 Ų108.457%0.57356%0.561SS**Hα-helixtrans-69.6-26.2175.9-1760000112.9D34D34-S36 PolarHBondContact O-N 2.85Å
37I56Low54.6Low109 Ų109109.3 Ų109.356%0.55957%0.566SS**Hα-helixtrans-82.4-37.3178.3-67.4163.9000110.8S33 D34 A35 A41S33-I37 WeakPolarHBondContact O-CB 3.48Å; S33-I37 WeakPolarHBondContact O-CD1 3.29Å; S33-I37 WeakPolarHBondContact O-CG1 3.43Å; S33-I37 PolarHBondContact O-N 2.84Å; D34-I37 PolarHBondContact O-N 3.05Å; A35-I37 VanDerWaalsContact C-N 3.3Å; A35-I37 PolarHBondContact O-N 2.82Å; I37-A41 WeakPolarHBondContact O-CB 3.48Å; I37-A41 PolarHBondContact O-N 3.08Å
38I58Low54Low104 Ų104110.4 Ų110.453%0.53357%0.572SS.*Hα-helixtrans-74.5-41.7-179.4-66.7163.8000111.4D34 M40 A41 C42D34-I38 HydrophobicContact CB-CD1 4.44Å; D34-I38 WeakPolarHBondContact O-CB 3.49Å; D34-I38 WeakPolarHBondContact O-CD1 3.47Å; D34-I38 WeakPolarHBondContact O-CG1 3.46Å; D34-I38 PolarHBondContact O-N 3.13Å; I38-M40 PolarHBondContact O-N 2.7Å; I38-A41 PolarHBondContact O-N 3.4Å; I38-C42 PolarHBondContact O-N 3.3Å; I38-C42 VanDerWaalsContact O-N 3.11Å; I38-C42 PolarHBondContact O-SG 2.89Å; I38-C42 VanDerWaalsContact O-SG 3.39Å
39E52.7Low53.3Low153 Ų153112.9 Ų112.972%0.71559%0.585SS**Hα-helixtrans-63.7-39.6178.8-170.1175.4-172.600111.9A35 A41 E43A35-E39 WeakPolarHBondContact O-CB 3.32Å; A35-E39 PolarHBondContact O-N 3.35Å; E39-A41 VanDerWaalsContact C-N 3.3Å; E39-A41 PolarHBondContact O-N 3.06Å; E39-E43 PolarHBondContact O-N 2.88Å
40M54Low52.7Low157 Ų157113.8 Ų113.877%0.77359%0.589SS**Hα-helixtrans-73-20.5177.5-146.6-167.5-13700113.4I38I38-M40 PolarHBondContact O-N 2.7Å
41A51.3Low52.1Low48 Ų48116.1 Ų116.140%0.39760%0.602SS.*Hα-helixtrans-81.8-38.8175.900000112I37 I38 E39 K44I37-A41 WeakPolarHBondContact O-CB 3.48Å; I37-A41 PolarHBondContact O-N 3.08Å; I38-A41 PolarHBondContact O-N 3.4Å; E39-A41 VanDerWaalsContact C-N 3.3Å; E39-A41 PolarHBondContact O-N 3.06Å; A41-K44 PolarHBondContact O-N 2.76Å
42C48.6Very low51.6Low80 Ų80115.8 Ų115.854%0.54160%0.603SS.*Hα-helixtrans-69.3-37.2-178.4-69.50000113.6I38 K44 E45I38-C42 PolarHBondContact O-N 3.3Å; I38-C42 VanDerWaalsContact O-N 3.11Å; I38-C42 PolarHBondContact O-SG 2.89Å; I38-C42 VanDerWaalsContact O-SG 3.39Å; C42-K44 PolarHBondContact O-N 3.04Å; C42-K44 VanDerWaalsContact O-N 3.16Å; C42-E45 PolarHBondContact O-N 2.85Å
43E46.2Very low51.1Low160 Ų160117.3 Ų117.375%0.74861%0.61SS**Hα-helixtrans-65.5-19.7179.9-159175.4-161.300112.6E39E39-E43 PolarHBondContact O-N 2.88Å
44K51Low50.4Low162 Ų162122.6 Ų122.670%0.70463%0.629SS**Hα-helixtrans-87.5-19.8180-157.8177-178-174.30113.9A41 C42 I48A41-K44 PolarHBondContact O-N 2.76Å; C42-K44 PolarHBondContact O-N 3.04Å; C42-K44 VanDerWaalsContact O-N 3.16Å; K44-I48 WeakPolarHBondContact O-CD1 3.5Å
45E50.8Low49.6Very low130 Ų130124.1 Ų124.161%0.60764%0.637SS**Hα-helixtrans-87.8-23.6-177.4-62.5-166.8-17800113.1C42 I48 N49C42-E45 PolarHBondContact O-N 2.85Å; E45-I48 PolarHBondContact O-N 2.89Å; E45-N49 PolarHBondContact O-ND2 3.37Å
46E48Very low48.8Very low160 Ų160129.6 Ų129.675%0.74865%0.653SS**THydrogen-bonded Turntrans-74.4-28-179.6-158.6171.1-166.100112.9I48E46-I48 VanDerWaalsContact C-N 3.31Å; E46-I48 PolarHBondContact O-N 3.3Å
47N45.5Very low48.1Very low130 Ų130131.8 Ų131.870%0.69566%0.663SS**THydrogen-bonded Turntrans-73.9-16.8175.7-113.3-75.5000114.1
48I51.3Low47.4Very low105 Ų105132.3 Ų132.354%0.53867%0.671SS.*Hα-helixtrans-89.3-26.8-174.3-54.3171.7000111.3K44 E45 E46 Q50K44-I48 WeakPolarHBondContact O-CD1 3.5Å; E45-I48 PolarHBondContact O-N 2.89Å; E46-I48 VanDerWaalsContact C-N 3.31Å; E46-I48 PolarHBondContact O-N 3.3Å; I48-Q50 VanDerWaalsContact C-N 3.32Å; I48-Q50 PolarHBondContact O-N 2.95Å
49N49.3Very low46.6Very low117 Ų117136.3 Ų136.363%0.62669%0.69SS**Hα-helixtrans-77.8-15.5-179.4-75.2-59.6000113.7E45E45-N49 PolarHBondContact O-ND2 3.37Å
50Q49.5Very low45.9Very low159 Ų159136.4 Ų136.474%0.74369%0.69SS**Hα-helixtrans-81.9-29.3177.9-166.5153.2-2.800112.9I48I48-Q50 VanDerWaalsContact C-N 3.32Å; I48-Q50 PolarHBondContact O-N 2.95Å
51D44.1Very low45Very low129 Ų129136.3 Ų136.369%0.6969%0.687SS**Hα-helixtrans-75.8-18.8178-92.76.4000113.8
52L48Very low44.1Very low109 Ų109140.4 Ų140.457%0.57171%0.708SS**THydrogen-bonded Turntrans-86.8-3.1-179.5-82.2168.9000114.5N55L52-N55 PolarHBondContact O-OD1 3.45Å
53K46.2Very low43.4Very low181 Ų181145.4 Ų145.479%0.78772%0.72SS**SBendtrans-97-9.4-178.6-152.2172-175.9177.30113.7
54E41.3Very low42.8Very low165 Ų165147 Ų14777%0.77172%0.719SS**SBendtrans-92.9-15.4-176.6-160.5170.3-167.800113.5
55N40.2Very low41.9Very low111 Ų111146 Ų14659%0.59472%0.717SS**SBendtrans-100.70.8-172.160.3-16.4000116.1L52L52-N55 PolarHBondContact O-OD1 3.45Å
56E38.4Very low41Very low171 Ų171145.6 Ų145.680%0.79973%0.728SS**SBendtrans-86.1-10.6-175.7-163.9172.5-178.800114.6
57T38.9Very low40.4Very low128 Ų128145 Ų14579%0.78573%0.73SS**SBendtrans-99.89.1-168.555.80000117.1
58V43.2Very low40.5Very low119 Ų119144.6 Ų144.672%0.72174%0.735SS**SBendtrans-111.9-2.3-167.5177.80000116.4
59M40.2Very low39.7Very low189 Ų189146 Ų14693%0.93174%0.743SS**  trans-123.761.9-179.6-66.2-152.9-56.900114.5
60E37.5Very low39.2Very low154 Ų154148.6 Ų148.672%0.7275%0.749SS**  trans-112.9138.1157.2-155.2-174.9155.300109.4
61H35.4Very low38.5Very low155 Ų155145.7 Ų145.772%0.71875%0.746SS**  trans91.8105.9171.3-42.1-52.7000118.3
62T32.7Very low38.1Very low135 Ų135146.5 Ų146.583%0.82875%0.75SS**  -172.7111.2122.6-68.60000111.4
63K34.6Very low37.4Very low185 Ų185149.3 Ų149.380%0.80476%0.76SS**  trans30.9148.4136.6-97.3170.2163.1170.20120.2
64R32.2Very low36.6Very low192 Ų192146.6 Ų146.673%0.72575%0.754SS**  cis175142.4-3.2-132-168.1158.9-171.2-2.6106.7
65H32.3Very low36.3Very low143 Ų143146.3 Ų146.366%0.66275%0.753SS**  trans47.5132.1154.2-53.4-58.3000120.4
66S32.4Very low36Very low120 Ų120146.7 Ų146.784%0.83976%0.759SS**  177.4154.666.530.50000110.7
67D35.4Very low35.8Very low147 Ų147143.9 Ų143.979%0.78676%0.758SS**  trans-100.1150.1168.7-152.70000108.2
68P48.7Very low36.2Very low123 Ų123143.2 Ų143.280%0.79976%0.756SS**  -155.1170.194.738.9-18.2000118.1
69D33.8Very low35.9Very low133 Ų133147.9 Ų147.971%0.71176%0.761SS**  trans-55.9164.2177.1-164.318.4000119.4
70K38.8Very low36.2Very low172 Ų172148.7 Ų148.775%0.74875%0.754SS**  trans99.9114.4156.3-58.8-173-179.4179.70123.7
71S34.4Very low36.3Very low98 Ų98148.8 Ų148.869%0.68576%0.759SS**  77.5123.6119.682.90000124.1
72L35.2Very low36.6Very low146 Ų146149.7 Ų149.776%0.76477%0.769SS**  trans82.7125.7131.5-70.8169.8000122.8
73Q33.5Very low37.6Very low169 Ų169150.4 Ų150.479%0.7977%0.766SS**  trans66.7151142.1-59.3-118.2-15.700116.8
74D30.1Very low38Very low124 Ų124149.2 Ų149.266%0.66377%0.767SS**  cis-169.8155-14-176.721.1000104.8
75E34.8Very low38.5Very low159 Ų159145.4 Ų145.474%0.74377%0.77SS**  trans66.4121.3153.3-93.6-167.4155.800126.2
76V34.4Very low39Very low118 Ų118144.8 Ų144.872%0.71578%0.776SS**  trans81.6104.2140.1-171.70000121.5
77S34.1Very low39.7Very low113 Ų113144.3 Ų144.379%0.7977%0.77SS**  161.7150.699.4-1480000113.2
78P47.3Very low39.8Very low114 Ų114141.1 Ų141.174%0.7477%0.771SS**  trans-105.9148.7-150.438.8-31.5000115.2
79R36Very low39.6Very low216 Ų216143 Ų14382%0.81577%0.773SS**  trans-144.694.4156.5-130.3-176.7-172.9-1662.3111.1
80R46.5Very low40.3Very low207 Ų207144.3 Ų144.378%0.78178%0.775SS**  trans31.5113.7141.7-50.7179.9-131.3165.4-0.5116
81N40Very low40.6Very low156 Ų156141.9 Ų141.983%0.83478%0.777SS**  trans-159.3107.8133-81.1-37.3000107.9I83N81-I83 PolarHBondContact O-N 3.02Å
82D42.7Very low41.1Very low173 Ų173144.9 Ų144.993%0.92578%0.784SS**  trans-69108.8172.3-68.6-43000109.1
83I52.8Low41.7Very low150 Ų150144.9 Ų144.977%0.76979%0.785SS**  trans-127.2115.9160-49.9176.2000106.6N81 S85N81-I83 PolarHBondContact O-N 3.02Å; I83-S85 PolarHBondContact O-N 3.42Å
84I43.9Very low42.6Very low160 Ų160142.5 Ų142.582%0.82179%0.785SS**  trans-52.4115.5-174.2-62.4159.7000110
85S41.9Very low43.2Very low112 Ų112144.9 Ų144.978%0.78380%0.796SS**PPolyproline II helixtrans-74.5124.4171.6-54.10000110.3I83I83-S85 PolarHBondContact O-N 3.42Å
86V42.9Very low43.9Very low130 Ų130142.3 Ų142.379%0.78880%0.795SS**PPolyproline II helixtrans-80.3132.7167.2175.50000108.2G88V86-G88 PolarHBondContact O-N 3.01Å
87P46.8Very low44.7Very low111 Ų111144.7 Ų144.772%0.72180%0.804SS**PPolyproline II helixtrans-72.4128178.9-9.825.5000110.9I89P87-I89 PolarHBondContact O-N 3.15Å
88G37.9Very low45.6Very low79 Ų79144.5 Ų144.581%0.81480%0.802SS**PPolyproline II helixtrans-67.1126.3170.200000110.9V86V86-G88 PolarHBondContact O-N 3.01Å
89I44.6Very low45.9Very low164 Ų164147.6 Ų147.684%0.84181%0.813SS**  trans-93.4113.4173.1-48.2174.5000106.9P87P87-I89 PolarHBondContact O-N 3.15Å
90Q48.3Very low46.8Very low159 Ų159142 Ų14274%0.74381%0.806SS**PPolyproline II helixtrans-67.1130.9175-172.3165.317.100109.8L92Q90-L92 PolarHBondContact O-N 2.93Å
91P45.4Very low47.2Very low122 Ų122140.9 Ų140.979%0.79281%0.81SS**PPolyproline II helixtrans-71.2116.7171.627.9-29.5000108.2
92L44.3Very low47.3Very low160 Ų160140.9 Ų140.984%0.83881%0.81SS**PPolyproline II helixtrans-82.7134.8169.4-73.2167.5000108.7Q90Q90-L92 PolarHBondContact O-N 2.93Å
93D47Very low47.7Very low146 Ų146136 Ų13678%0.78179%0.789SS**PPolyproline II helixtrans-54.2143.9-179.5-63.6-51.8000112.6I95D93-I95 PolarHBondContact O-N 2.98Å
94P54.3Low47.3Very low120 Ų120137.9 Ų137.978%0.77979%0.793SS**  trans-72.7114.8172.229.6-30000108.9S96P94-S96 PolarHBondContact O-N 3.26Å
95I41.9Very low47.4Very low174 Ų174139.2 Ų139.289%0.89280%0.795SS**  trans-62.3101161.239.1162.8000108.6D93D93-I95 PolarHBondContact O-N 2.98Å
96S48.6Very low47.5Very low105 Ų105142 Ų14273%0.73480%0.796SS**  trans-71.7119.6166.9168.90000109.2P94P94-S96 PolarHBondContact O-N 3.26Å
97D51.8Low48.1Very low167 Ų167141.4 Ų141.489%0.89380%0.797SS**  trans-154.588.6154.6-85.7-31.8000107.8
98S52.3Low48.3Very low109 Ų109145.2 Ų145.276%0.76280%0.803SS**  trans-15288.8161.1-153.50000109.5S100S98-S100 PolarHBondContact O-N 3.48Å; S98-S100 VanDerWaalsContact O-N 3.12Å
99D54.6Low49Very low180 Ų180147.1 Ų147.196%0.96379%0.793SS**  trans-60.5105.6162-72.5-38.2000108.6
100S54.7Low49.2Very low97 Ų97145 Ų14568%0.67878%0.78SS**  trans-135.197.1163.8-178.10000108.2S98 N102S98-S100 PolarHBondContact O-N 3.48Å; S98-S100 VanDerWaalsContact O-N 3.12Å; S100-N102 PolarHBondContact O-N 3.17Å
101E53.9Low49.5Very low184 Ų184141.6 Ų141.686%0.8677%0.774SS**  trans-53.4107.8160.6-74.4-140.1107.300109.5
102N42Very low49.9Very low156 Ų156142 Ų14283%0.83477%0.765SS**  trans-141.692.7152.7-136.472.4000108.1S100S100-N102 PolarHBondContact O-N 3.17Å
103S50.9Low50.5Low70 Ų70140.9 Ų140.949%0.4975%0.753SS.*  trans-88.1143.1177.9620000110.2
104F46.1Very low50.8Low191 Ų191137.8 Ų137.884%0.83874%0.737SS**  trans73.8102163.8-41.7-66.2000116.3
105Q45.6Very low50.9Low187 Ų187137.8 Ų137.887%0.87473%0.73SS**  174.554.5108.1-161.6158.9-0.900112.2
106E42.6Very low51.7Low171 Ų171135 Ų13580%0.79971%0.713SS**  trans-101.7-4.5177.6-86.7178.2165.100114.9K108E106-K108 PolarHBondContact O-N 3.3Å
107S55.6Low52.2Low117 Ų117135.7 Ų135.782%0.81870%0.704SS**THydrogen-bonded Turntrans-82.822.3-170.674.90000115.9
108K51.3Low52.6Low192 Ų192133.9 Ų133.984%0.83569%0.691SS**THydrogen-bonded Turntrans-139.51.1177-93.5-163.1178.9-172.20115.7E106E106-K108 PolarHBondContact O-N 3.3Å
109L52.3Low53Low118 Ų118135.2 Ų135.262%0.61869%0.685SS**THydrogen-bonded Turntrans-104.3-12.3175.7-79.5170.5000113.5S111 Q112 K113L109-S111 VanDerWaalsContact C-N 3.33Å; L109-S111 PolarHBondContact O-N 3.46Å; L109-Q112 PolarHBondContact O-N 3.11Å; L109-K113 PolarHBondContact O-N 2.8Å; L109-K113 VanDerWaalsContact O-N 3.15Å
110E50.6Low54.1Low120 Ų120131.7 Ų131.756%0.56167%0.666SS**Hα-helixtrans-54.1-46.3-179.6-156.875.9-171.900112.1Q112 K113 D114E110-Q112 VanDerWaalsContact C-N 3.32Å; E110-Q112 PolarHBondContact O-N 3.47Å; E110-K113 PolarHBondContact O-N 2.92Å; E110-K113 VanDerWaalsContact O-N 3.17Å; E110-D114 VanDerWaalsContact O-CG 3.23Å; E110-D114 PolarHBondContact O-N 2.79Å
111S54.7Low55.5Low87 Ų87130.6 Ų130.661%0.60865%0.65SS**Hα-helixtrans-75.4-12.6-175.1320000115.6L109L109-S111 VanDerWaalsContact C-N 3.33Å; L109-S111 PolarHBondContact O-N 3.46Å
112Q53.4Low57.1Low131 Ų131126.7 Ų126.761%0.61263%0.632SS**Hα-helixtrans-91-31.9169.6-171.6173.8-21.900110.9L109 E110 E116L109-Q112 PolarHBondContact O-N 3.11Å; E110-Q112 VanDerWaalsContact C-N 3.32Å; E110-Q112 PolarHBondContact O-N 3.47Å; Q112-E116 PolarHBondContact O-N 2.85Å
113K55.8Low59.4Low136 Ų136122.7 Ų122.759%0.59161%0.613SS**Hα-helixtrans-71.6-36.1176.9-163.9169.4-179.8-174.80112.3L109 E110 L115 E116 E117L109-K113 PolarHBondContact O-N 2.8Å; L109-K113 VanDerWaalsContact O-N 3.15Å; E110-K113 PolarHBondContact O-N 2.92Å; E110-K113 VanDerWaalsContact O-N 3.17Å; K113-L115 VanDerWaalsContact C-N 3.33Å; K113-L115 PolarHBondContact O-N 3.15Å; K113-E116 PolarHBondContact O-N 3.19Å; K113-E117 WeakPolarHBondContact O-CB 3.46Å; K113-E117 PolarHBondContact O-N 2.95Å
114D54.3Low61.5Low81 Ų81126.3 Ų126.343%0.43362%0.616SS.*Hα-helixtrans-63.6-33.8177-71.5-20.3000113.3E110 E118E110-D114 VanDerWaalsContact O-CG 3.23Å; E110-D114 PolarHBondContact O-N 2.79Å; D114-E118 WeakPolarHBondContact O-CB 3.35Å; D114-E118 PolarHBondContact O-N 3.38Å
115L55.6Low63.8Low121 Ų121122.7 Ų122.763%0.63460%0.597SS**Hα-helixtrans-78-35.5177.7-74170.4000112.4K113 E119K113-L115 VanDerWaalsContact C-N 3.33Å; K113-L115 PolarHBondContact O-N 3.15Å; L115-E119 PolarHBondContact O-N 2.83Å
116E58.3Low66.2Low114 Ų114120 Ų12053%0.53358%0.58SS.*Hα-helixtrans-74.8-35.6176.7-158.9165-151.100110.7Q112 K113 E119 D120Q112-E116 PolarHBondContact O-N 2.85Å; K113-E116 PolarHBondContact O-N 3.19Å; E116-E119 PolarHBondContact O-N 3.08Å; E116-D120 VanDerWaalsContact O-CB 3.27Å; E116-D120 WeakPolarHBondContact O-CB 3.35Å; E116-D120 VanDerWaalsContact O-CG 3.29Å; E116-D120 PolarHBondContact O-N 3Å
117E60.3Low68.8Low120 Ų120116.1 Ų116.156%0.56156%0.563SS**Hα-helixtrans-68.9-33.4174.1-171.7165.9-170.100112.5K113 E121K113-E117 WeakPolarHBondContact O-CB 3.46Å; K113-E117 PolarHBondContact O-N 2.95Å; E117-E121 VanDerWaalsContact O-CB 3.27Å; E117-E121 WeakPolarHBondContact O-CB 3.46Å; E117-E121 PolarHBondContact O-N 3.05Å
118E59.3Low70.7Confident130 Ų130115.7 Ų115.761%0.60755%0.549SS*.Hα-helixtrans-71.4-38.7173.1-172.2166.5-142.200112.3D114 E121 E122D114-E118 WeakPolarHBondContact O-CB 3.35Å; D114-E118 PolarHBondContact O-N 3.38Å; E118-E121 PolarHBondContact O-N 3.05Å; E118-E122 PolarHBondContact O-N 3.41Å
119E60.1Low72.9Confident136 Ų136112.5 Ų112.564%0.63654%0.538SS*.Hα-helixtrans-67.1-43.4173.3-167.8171.6-160.100111.2L115 E116 E121 E122 V123L115-E119 PolarHBondContact O-N 2.83Å; E116-E119 PolarHBondContact O-N 3.08Å; E119-E121 VanDerWaalsContact C-N 3.32Å; E119-E121 PolarHBondContact O-N 2.99Å; E119-E122 PolarHBondContact O-N 3.07Å; E119-V123 WeakPolarHBondContact O-CB 3.41Å; E119-V123 VanDerWaalsContact O-CG2 3.27Å; E119-V123 WeakPolarHBondContact O-CG2 3.48Å; E119-V123 PolarHBondContact O-N 3.26Å
120D78.1Confident75Confident106 Ų106111.2 Ų111.257%0.56753%0.527SS*.Hα-helixtrans-62.4-37.4175-81.6-18.2000112.1E116 R124E116-D120 VanDerWaalsContact O-CB 3.27Å; E116-D120 WeakPolarHBondContact O-CB 3.35Å; E116-D120 VanDerWaalsContact O-CG 3.29Å; E116-D120 PolarHBondContact O-N 3Å; D120-R124 WeakPolarHBondContact O-CB 3.48Å; D120-R124 PolarHBondContact O-N 3.14Å
121E84.2Confident77.2Confident75 Ų75109.5 Ų109.535%0.3552%0.521SS..Hα-helixtrans-73.2-33.5176.9-166.260.6-137.500111.7E117 E118 E119 R124 R125E117-E121 VanDerWaalsContact O-CB 3.27Å; E117-E121 WeakPolarHBondContact O-CB 3.46Å; E117-E121 PolarHBondContact O-N 3.05Å; E118-E121 PolarHBondContact O-N 3.05Å; E119-E121 VanDerWaalsContact C-N 3.32Å; E119-E121 PolarHBondContact O-N 2.99Å; E121-R124 PolarHBondContact O-N 3.27Å; E121-R124 IonicContact OE1-NH1 3.13Å; E121-R124 IonicContact OE2-CZ 3.32Å; E121-R124 IonicContact OE2-NH1 2.69Å; E121-R124 PolarHBondContact OE2-NH1 2.97Å; E121-R125 WeakPolarHBondContact O-CB 3.28Å; E121-R125 VanDerWaalsContact O-CG 3.29Å; E121-R125 WeakPolarHBondContact O-CG 3.4Å; E121-R125 PolarHBondContact O-N 3.14Å
122E87.9Confident79.2Confident102 Ų102109.6 Ų109.648%0.47752%0.517SS..Hα-helixtrans-68.5-43.8171.3-169.966.8-93.900111.9E118 E119 R124 R125 Y126E118-E122 PolarHBondContact O-N 3.41Å; E119-E122 PolarHBondContact O-N 3.07Å; E122-R124 VanDerWaalsContact C-N 3.26Å; E122-R124 PolarHBondContact O-N 3.36Å; E122-R125 PolarHBondContact O-N 3.44Å; E122-R125 IonicContact OE1-CZ 2.77Å; E122-R125 IonicContact OE1-NE 3.06Å; E122-R125 PolarHBondContact OE1-NE 3.22Å; E122-R125 IonicContact OE1-NH2 3.58Å; E122-R125 PolarHBondContact OE1-NH2 3.44Å; E122-R125 IonicContact OE2-CZ 2.69Å; E122-R125 IonicContact OE2-NE 3.98Å; E122-R125 IonicContact OE2-NH2 3.95Å; E122-R125 PolarHBondContact OE2-NH2 3.27Å; E122-Y126 VanDerWaalsContact O-CB 3.31Å; E122-Y126 WeakPolarHBondContact O-CB 3.37Å; E122-Y126 PolarHBondContact O-N 3.45Å
123V91.6Very high81.2Confident71 Ų71108.7 Ų108.743%0.4351%0.513SS..Hα-helixtrans-60.5-41.1173.9171.40000109.9E119 Y126 I127E119-V123 WeakPolarHBondContact O-CB 3.41Å; E119-V123 VanDerWaalsContact O-CG2 3.27Å; E119-V123 WeakPolarHBondContact O-CG2 3.48Å; E119-V123 PolarHBondContact O-N 3.26Å; V123-Y126 PolarHBondContact O-N 3.03Å; V123-I127 HydrophobicContact CG1-CD1 3.66Å; V123-I127 HydrophobicContact CG1-CG1 4.35Å; V123-I127 WeakPolarHBondContact O-CB 3.41Å; V123-I127 WeakPolarHBondContact O-CD1 2.94Å; V123-I127 WeakPolarHBondContact O-CG1 3.47Å; V123-I127 PolarHBondContact O-N 3.3Å
124R93Very high83Confident147 Ų147104.5 Ų104.556%0.55550%0.504SS*.Hα-helixtrans-64.6-43.9175.3-177.3-175-178.9-178.73.5112.4D120 E121 E122 I127 M128D120-R124 WeakPolarHBondContact O-CB 3.48Å; D120-R124 PolarHBondContact O-N 3.14Å; E121-R124 PolarHBondContact O-N 3.27Å; E121-R124 IonicContact OE1-NH1 3.13Å; E121-R124 IonicContact OE2-CZ 3.32Å; E121-R124 IonicContact OE2-NH1 2.69Å; E121-R124 PolarHBondContact OE2-NH1 2.97Å; E122-R124 VanDerWaalsContact C-N 3.26Å; E122-R124 PolarHBondContact O-N 3.36Å; R124-I127 PolarHBondContact O-N 2.69Å; R124-M128 VanDerWaalsContact O-CB 3.31Å; R124-M128 WeakPolarHBondContact O-CB 3.43Å; R124-M128 PolarHBondContact O-N 3.13Å
125R94.7Very high84.9Confident114 Ų114104.9 Ų104.943%0.4351%0.506SS..Hα-helixtrans-58.8-48.6173.7-79.2-169.1-64-103.811.8110.7E121 E122 I127 M128 E129E121-R125 WeakPolarHBondContact O-CB 3.28Å; E121-R125 VanDerWaalsContact O-CG 3.29Å; E121-R125 WeakPolarHBondContact O-CG 3.4Å; E121-R125 PolarHBondContact O-N 3.14Å; E122-R125 PolarHBondContact O-N 3.44Å; E122-R125 IonicContact OE1-CZ 2.77Å; E122-R125 IonicContact OE1-NE 3.06Å; E122-R125 PolarHBondContact OE1-NE 3.22Å; E122-R125 IonicContact OE1-NH2 3.58Å; E122-R125 PolarHBondContact OE1-NH2 3.44Å; E122-R125 IonicContact OE2-CZ 2.69Å; E122-R125 IonicContact OE2-NE 3.98Å; E122-R125 IonicContact OE2-NH2 3.95Å; E122-R125 PolarHBondContact OE2-NH2 3.27Å; R125-I127 PolarHBondContact O-N 2.99Å; R125-M128 PolarHBondContact O-N 3.49Å; R125-E129 WeakPolarHBondContact O-CB 3.41Å; R125-E129 PolarHBondContact O-N 2.98Å
126Y95.9Very high86.7Confident132 Ų132106 Ų10652%0.51851%0.506SS..Hα-helixtrans-60.3-46.4178.3175.8-100.4000112.1E122 V123 M128 E129 K130E122-Y126 VanDerWaalsContact O-CB 3.31Å; E122-Y126 WeakPolarHBondContact O-CB 3.37Å; E122-Y126 PolarHBondContact O-N 3.45Å; V123-Y126 PolarHBondContact O-N 3.03Å; Y126-M128 VanDerWaalsContact C-N 3.35Å; Y126-M128 PolarHBondContact O-N 3.05Å; Y126-E129 PolarHBondContact O-N 3.16Å; Y126-K130 HydrophobicContact CD1-CG 4.4Å; Y126-K130 HydrophobicContact CD2-CG 4.47Å; Y126-K130 HydrophobicContact CE1-CG 4.02Å; Y126-K130 HydrophobicContact CE2-CD 4.38Å; Y126-K130 HydrophobicContact CE2-CG 4.11Å; Y126-K130 VanDerWaalsContact CZ-CE 3.45Å; Y126-K130 WeakPolarHBondContact O-CB 3.21Å; Y126-K130 VanDerWaalsContact O-CG 3.29Å; Y126-K130 WeakPolarHBondContact O-CG 3.12Å; Y126-K130 PolarHBondContact O-N 3.45Å; Y126-K130 VanDerWaalsContact OH-CE 3.28Å; Y126-K130 WeakPolarHBondContact OH-CE 3.38Å
127I96.9Very high88.2Confident88 Ų88106.1 Ų106.145%0.45151%0.509SS..Hα-helixtrans-61.6-45.3176.5-70.1165.2000110.4V123 R124 R125 E129 K130 I131V123-I127 HydrophobicContact CG1-CD1 3.66Å; V123-I127 HydrophobicContact CG1-CG1 4.35Å; V123-I127 WeakPolarHBondContact O-CB 3.41Å; V123-I127 WeakPolarHBondContact O-CD1 2.94Å; V123-I127 WeakPolarHBondContact O-CG1 3.47Å; V123-I127 PolarHBondContact O-N 3.3Å; R124-I127 PolarHBondContact O-N 2.69Å; R125-I127 PolarHBondContact O-N 2.99Å; I127-E129 PolarHBondContact O-N 3.06Å; I127-K130 PolarHBondContact O-N 3.43Å; I127-I131 HydrophobicContact CG2-CD1 3.77Å; I127-I131 HydrophobicContact CG2-CG1 4.45Å; I127-I131 VanDerWaalsContact O-CG1 3.27Å; I127-I131 WeakPolarHBondContact O-CG1 3.26Å; I127-I131 PolarHBondContact O-N 3.25Å
128M97.1Very high89.5Confident108 Ų108105.3 Ų105.353%0.53251%0.508SS..Hα-helixtrans-61.3-44.9178.4-168.269.668.700111.4R124 R125 Y126 K130 I131 V132R124-M128 VanDerWaalsContact O-CB 3.31Å; R124-M128 WeakPolarHBondContact O-CB 3.43Å; R124-M128 PolarHBondContact O-N 3.13Å; R125-M128 PolarHBondContact O-N 3.49Å; Y126-M128 VanDerWaalsContact C-N 3.35Å; Y126-M128 PolarHBondContact O-N 3.05Å; M128-K130 PolarHBondContact O-N 3.38Å; M128-I131 PolarHBondContact O-N 2.87Å; M128-V132 WeakPolarHBondContact O-CG2 3.44Å; M128-V132 PolarHBondContact O-N 3.31Å
129E96.3Very high90.6Very high126 Ų126106.9 Ų106.959%0.58952%0.516SS*.Hα-helixtrans-60.5-45.1176.2-174.5-178.8-179.300111.3R125 Y126 I127 I131 V132 Q133R125-E129 WeakPolarHBondContact O-CB 3.41Å; R125-E129 PolarHBondContact O-N 2.98Å; Y126-E129 PolarHBondContact O-N 3.16Å; I127-E129 PolarHBondContact O-N 3.06Å; E129-I131 VanDerWaalsContact C-N 3.33Å; E129-I131 PolarHBondContact O-N 3.3Å; E129-V132 PolarHBondContact O-N 2.84Å; E129-Q133 WeakPolarHBondContact O-CB 3.49Å; E129-Q133 PolarHBondContact O-N 3.06Å
130K97.8Very high91.5Very high90 Ų90106.5 Ų106.539%0.39152%0.518SS..Hα-helixtrans-63.3-38176.9-70.7-64.8173.4-167.10112.7Y126 I127 M128 Q133 A134Y126-K130 HydrophobicContact CD1-CG 4.4Å; Y126-K130 HydrophobicContact CD2-CG 4.47Å; Y126-K130 HydrophobicContact CE1-CG 4.02Å; Y126-K130 HydrophobicContact CE2-CD 4.38Å; Y126-K130 HydrophobicContact CE2-CG 4.11Å; Y126-K130 VanDerWaalsContact CZ-CE 3.45Å; Y126-K130 WeakPolarHBondContact O-CB 3.21Å; Y126-K130 VanDerWaalsContact O-CG 3.29Å; Y126-K130 WeakPolarHBondContact O-CG 3.12Å; Y126-K130 PolarHBondContact O-N 3.45Å; Y126-K130 VanDerWaalsContact OH-CE 3.28Å; Y126-K130 WeakPolarHBondContact OH-CE 3.38Å; I127-K130 PolarHBondContact O-N 3.43Å; M128-K130 PolarHBondContact O-N 3.38Å; K130-Q133 PolarHBondContact O-N 2.99Å; K130-A134 VanDerWaalsContact O-CB 3.32Å; K130-A134 WeakPolarHBondContact O-CB 3.46Å; K130-A134 PolarHBondContact O-N 3.46Å
131I96.1Very high91.6Very high84 Ų84106.8 Ų106.843%0.43152%0.516SS..Hα-helixtrans-64.2-45.5174-69.7165.8000110.5I127 M128 E129 Q133 A134 N135I127-I131 HydrophobicContact CG2-CD1 3.77Å; I127-I131 HydrophobicContact CG2-CG1 4.45Å; I127-I131 VanDerWaalsContact O-CG1 3.27Å; I127-I131 WeakPolarHBondContact O-CG1 3.26Å; I127-I131 PolarHBondContact O-N 3.25Å; M128-I131 PolarHBondContact O-N 2.87Å; E129-I131 VanDerWaalsContact C-N 3.33Å; E129-I131 PolarHBondContact O-N 3.3Å; I131-Q133 PolarHBondContact O-N 3.46Å; I131-A134 PolarHBondContact O-N 3.5Å; I131-N135 WeakPolarHBondContact CG2-ND2 3.27Å; I131-N135 WeakPolarHBondContact O-CB 3.37Å; I131-N135 PolarHBondContact O-N 3.14Å; I131-N135 PolarHBondContact O-ND2 2.91Å
132V96.3Very high91.2Very high89 Ų89111.6 Ų111.654%0.53954%0.539SS..Hα-helixtrans-62.9-43.4177.8171.60000111.1M128 E129 N135 K136M128-V132 WeakPolarHBondContact O-CG2 3.44Å; M128-V132 PolarHBondContact O-N 3.31Å; E129-V132 PolarHBondContact O-N 2.84Å; V132-N135 PolarHBondContact O-N 3.17Å; V132-K136 WeakPolarHBondContact O-CB 3.32Å; V132-K136 PolarHBondContact O-N 3.47Å
133Q95.6Very high90.6Very high112 Ų112112 Ų11252%0.52355%0.55SS.*Hα-helixtrans-61.4-46.4177.2-170.7175.135.300111.5E129 K130 I131 K136 L137E129-Q133 WeakPolarHBondContact O-CB 3.49Å; E129-Q133 PolarHBondContact O-N 3.06Å; K130-Q133 PolarHBondContact O-N 2.99Å; I131-Q133 PolarHBondContact O-N 3.46Å; Q133-K136 PolarHBondContact O-N 3.26Å; Q133-L137 PolarHBondContact O-N 3.17Å; Q133-L137 VanDerWaalsContact O-N 3.1Å
134A94.3Very high90Very high48 Ų48114.7 Ų114.740%0.39757%0.566SS.*Hα-helixtrans-64.3-41.8176.800000112.1K130 I131 K136 L137 L138K130-A134 VanDerWaalsContact O-CB 3.32Å; K130-A134 WeakPolarHBondContact O-CB 3.46Å; K130-A134 PolarHBondContact O-N 3.46Å; I131-A134 PolarHBondContact O-N 3.5Å; A134-K136 VanDerWaalsContact C-N 3.34Å; A134-K136 PolarHBondContact O-N 2.87Å; A134-L137 WeakPolarHBondContact O-CB 3.32Å; A134-L137 PolarHBondContact O-N 3.06Å; A134-L137 VanDerWaalsContact O-N 3.17Å; A134-L138 WeakPolarHBondContact O-CG 3.46Å; A134-L138 PolarHBondContact O-N 3.01Å
135N93.6Very high89.2Confident90 Ų90111.9 Ų111.948%0.48156%0.562SS.*Hα-helixtrans-64-39.2177.3-72.9-21.8000112.1I131 V132 L137 L138 Q139I131-N135 WeakPolarHBondContact CG2-ND2 3.27Å; I131-N135 WeakPolarHBondContact O-CB 3.37Å; I131-N135 PolarHBondContact O-N 3.14Å; I131-N135 PolarHBondContact O-ND2 2.91Å; V132-N135 PolarHBondContact O-N 3.17Å; N135-L137 VanDerWaalsContact C-N 3.31Å; N135-L137 PolarHBondContact O-N 2.69Å; N135-L138 PolarHBondContact O-N 2.92Å; N135-Q139 PolarHBondContact O-N 3.04Å
136K94.1Very high88.5Confident145 Ų145114.1 Ų114.163%0.6358%0.583SS**Hα-helixtrans-62-39.6173.4-173.8179180-177.20111.6V132 Q133 A134 N140V132-K136 WeakPolarHBondContact O-CB 3.32Å; V132-K136 PolarHBondContact O-N 3.47Å; Q133-K136 PolarHBondContact O-N 3.26Å; A134-K136 VanDerWaalsContact C-N 3.34Å; A134-K136 PolarHBondContact O-N 2.87Å; K136-N140 PolarHBondContact O-ND2 3.49Å
137L90.1Very high87.8Confident115 Ų115116.5 Ų116.560%0.60260%0.596SS**Hα-helixtrans-68-40.1176.4-172.266.5000112.1Q133 A134 N135 N140 Q141Q133-L137 PolarHBondContact O-N 3.17Å; Q133-L137 VanDerWaalsContact O-N 3.1Å; A134-L137 WeakPolarHBondContact O-CB 3.32Å; A134-L137 PolarHBondContact O-N 3.06Å; A134-L137 VanDerWaalsContact O-N 3.17Å; N135-L137 VanDerWaalsContact C-N 3.31Å; N135-L137 PolarHBondContact O-N 2.69Å; L137-N140 PolarHBondContact O-N 3.44Å; L137-Q141 PolarHBondContact O-N 3.29Å
138L86.9Confident87.1Confident103 Ų103121.3 Ų121.354%0.53961%0.608SS.*Hα-helixtrans-68-34177.3-72173.3000112.8A134 N135 N140 Q141A134-L138 WeakPolarHBondContact O-CG 3.46Å; A134-L138 PolarHBondContact O-N 3.01Å; N135-L138 PolarHBondContact O-N 2.92Å; L138-N140 PolarHBondContact O-N 3.15Å; L138-Q141 PolarHBondContact O-N 3.38Å; L138-Q141 VanDerWaalsContact O-N 3.13Å
139Q83.1Confident86.3Confident163 Ų163122.6 Ų122.676%0.76261%0.613SS**Hα-helixtrans-63.2-29.3178.1-171.1173.316.100112.8N135N135-Q139 PolarHBondContact O-N 3.04Å
140N78.6Confident85.7Confident129 Ų129127.7 Ų127.769%0.6963%0.627SS**THydrogen-bonded Turntrans-89-7.4178.1-64.3-33.5000113.2K136 L137 L138K136-N140 PolarHBondContact O-ND2 3.49Å; L137-N140 PolarHBondContact O-N 3.44Å; L138-N140 PolarHBondContact O-N 3.15Å
141Q79.6Confident85Confident112 Ų112129.5 Ų129.552%0.52364%0.635SS.*SBendtrans-80.2128.9174.8-75.7179.254.500109.7L137 L138L137-Q141 PolarHBondContact O-N 3.29Å; L138-Q141 PolarHBondContact O-N 3.38Å; L138-Q141 VanDerWaalsContact O-N 3.13Å
142E76.8Confident84.3Confident176 Ų176132 Ų13282%0.82265%0.648SS**PPolyproline II helixtrans-56.1132.3172.1-167.3178.8-174.900108.6V144E142-V144 PolarHBondContact O-N 2.94Å
143P75.1Confident83.6Confident110 Ų110135.4 Ų135.471%0.71466%0.656SS**PPolyproline II helixtrans-53.7140.5179.721.8-33.2000109.7N145P143-N145 PolarHBondContact O-N 3.11Å
144V77.5Confident83Confident127 Ų127138.3 Ų138.377%0.7767%0.667SS**PPolyproline II helixtrans-49.7117.6177.3173.10000108E142 D146E142-V144 PolarHBondContact O-N 2.94Å; V144-D146 VanDerWaalsContact C-N 3.34Å; V144-D146 PolarHBondContact O-N 3.38Å
145N77.2Confident82.5Confident89 Ų89143.9 Ų143.948%0.47668%0.682SS.*  trans-67.895.9-179.2179.1-2.9000108.7P143 K147 R148P143-N145 PolarHBondContact O-N 3.11Å; N145-K147 PolarHBondContact O-N 3.21Å; N145-K147 WeakPolarHBondContact OD1-CA 3.17Å; N145-K147 WeakPolarHBondContact OD1-CB 3.4Å; N145-K147 PolarHBondContact OD1-N 3.35Å; N145-R148 HydrophobicContact CB-CB 4.17Å; N145-R148 VanDerWaalsContact O-CB 3.26Å; N145-R148 WeakPolarHBondContact O-CB 3.1Å; N145-R148 PolarHBondContact O-N 3.45Å; N145-R148 PolarHBondContact OD1-N 3.06Å
146D80.3Confident81.8Confident160 Ų160147.9 Ų147.986%0.85670%0.704SS**THydrogen-bonded Turntrans-58-11.1177.9-67.7-32.5000113.5V144V144-D146 VanDerWaalsContact C-N 3.34Å; V144-D146 PolarHBondContact O-N 3.38Å
147K80.7Confident80.9Confident182 Ų182149 Ų14979%0.79171%0.711SS**THydrogen-bonded Turntrans-103.14.3177-55.9179.4-178.4175.20113.1N145 E149N145-K147 PolarHBondContact O-N 3.21Å; N145-K147 WeakPolarHBondContact OD1-CA 3.17Å; N145-K147 WeakPolarHBondContact OD1-CB 3.4Å; N145-K147 PolarHBondContact OD1-N 3.35Å; K147-E149 VanDerWaalsContact C-N 3.31Å; K147-E149 PolarHBondContact O-N 3.28Å
148R82.6Confident80.2Confident189 Ų189150.6 Ų150.671%0.71372%0.719SS**  trans-72.785.3176-176.1-172.1-85.9-103.84.8109.8N145 R150N145-R148 HydrophobicContact CB-CB 4.17Å; N145-R148 VanDerWaalsContact O-CB 3.26Å; N145-R148 WeakPolarHBondContact O-CB 3.1Å; N145-R148 PolarHBondContact O-N 3.45Å; N145-R148 PolarHBondContact OD1-N 3.06Å; R148-R150 PolarHBondContact O-N 2.96Å
149E79.4Confident79.8Confident136 Ų136151.4 Ų151.464%0.63673%0.729SS**  trans-78112169.1-65.7178.7179.500110K147 K151K147-E149 VanDerWaalsContact C-N 3.31Å; K147-E149 PolarHBondContact O-N 3.28Å; E149-K151 PolarHBondContact O-N 3.14Å; E149-K151 VanDerWaalsContact O-N 3.16Å; E149-K151 WeakPolarHBondContact OE2-CE 3.47Å; E149-K151 IonicContact OE2-NZ 3.36Å; E149-K151 PolarHBondContact OE2-NZ 3.02Å
150R83.9Confident79.4Confident232 Ų232150.4 Ų150.488%0.87573%0.728SS**  trans-72.8104.7168.9-64178.188.4115.5-2.6108.2R148R148-R150 PolarHBondContact O-N 2.96Å
151K83.5Confident79Confident129 Ų129151.9 Ų151.956%0.56174%0.735SS**  trans-97.8121.5174.2-69.2-177.6177.9164.20109.8E149 K153E149-K151 PolarHBondContact O-N 3.14Å; E149-K151 VanDerWaalsContact O-N 3.16Å; E149-K151 WeakPolarHBondContact OE2-CE 3.47Å; E149-K151 IonicContact OE2-NZ 3.36Å; E149-K151 PolarHBondContact OE2-NZ 3.02Å; K151-K153 PolarHBondContact O-N 3.08Å
152L81.8Confident78.5Confident136 Ų136155.2 Ų155.271%0.71275%0.751SS**  trans-63.1116.8169-172.860.2000108.2F154L152-F154 HydrophobicContact CD2-CE1 3.71Å; L152-F154 HydrophobicContact CD2-CE2 3.7Å; L152-F154 HydrophobicContact CD2-CZ 3.2Å; L152-F154 HydrophobicContact CG-CD2 4.44Å; L152-F154 HydrophobicContact CG-CE1 4.19Å; L152-F154 HydrophobicContact CG-CE2 3.99Å; L152-F154 HydrophobicContact CG-CZ 3.87Å
153K81.1Confident78.4Confident161 Ų161152.3 Ų152.370%0.775%0.745SS**  trans-100.899.6175.4-61.8-57.9-175.7177.10107.6K151 K155K151-K153 PolarHBondContact O-N 3.08Å; K153-K155 PolarHBondContact O-N 2.9Å
154F82.4Confident78.4Confident173 Ų173152 Ų15276%0.75974%0.743SS**  trans-67130.9166.6-62.3-77000108.5L152L152-F154 HydrophobicContact CD2-CE1 3.71Å; L152-F154 HydrophobicContact CD2-CE2 3.7Å; L152-F154 HydrophobicContact CD2-CZ 3.2Å; L152-F154 HydrophobicContact CG-CD2 4.44Å; L152-F154 HydrophobicContact CG-CE1 4.19Å; L152-F154 HydrophobicContact CG-CE2 3.99Å; L152-F154 HydrophobicContact CG-CZ 3.87Å
155K83.9Confident78.1Confident164 Ų164151.5 Ų151.571%0.71374%0.743SS**  trans-75.1136.9165.2-63.6-67.6-176170.70107.2K153 Q157K153-K155 PolarHBondContact O-N 2.9Å; K155-Q157 WeakPolarHBondContact CB-O 3.18Å; K155-Q157 PolarHBondContact O-N 3.4Å
156D79.1Confident77.6Confident175 Ų175152.6 Ų152.694%0.93675%0.748SS**SBendtrans-67.3-26.5-177.6-159.838.3000111.9
157Q76.1Confident76.8Confident168 Ų168153.6 Ų153.679%0.78575%0.747SS**SBendtrans-99113.7165.2-66.9179.1-3.700107.5K155 V159K155-Q157 WeakPolarHBondContact CB-O 3.18Å; K155-Q157 PolarHBondContact O-N 3.4Å; Q157-V159 PolarHBondContact O-N 2.77Å
158L75.2Confident75.9Confident148 Ų148151 Ų15178%0.77574%0.742SS**  trans-57.7121.4161.2-63176.2000105.5D160L158-D160 VanDerWaalsContact C-N 3.33Å; L158-D160 PolarHBondContact O-N 3.16Å
159V78.4Confident74.6Confident121 Ų121147 Ų14773%0.73374%0.739SS**  trans-65.3104.5170.91760000104.8Q157 L161Q157-V159 PolarHBondContact O-N 2.77Å; V159-L161 PolarHBondContact O-N 3.49Å
160D73.3Confident73.5Confident141 Ų141146.8 Ų146.875%0.75475%0.747SS**  trans-58.5114.8168.1-71.6-29.3000105.7L158 E162L158-D160 VanDerWaalsContact C-N 3.33Å; L158-D160 PolarHBondContact O-N 3.16Å; D160-E162 PolarHBondContact O-N 3.21Å
161L70.4Confident72.1Confident160 Ų160141.3 Ų141.384%0.83874%0.739SS**  trans-69.280.9174.5-67172.8000106.9V159 V163V159-L161 PolarHBondContact O-N 3.49Å; L161-V163 PolarHBondContact O-N 3.2Å
162E69.6Low70.6Confident183 Ų183140 Ų14086%0.85573%0.734SS**  trans-70.2115.2174.3-147.4173.8-160.100107.3D160 P164D160-E162 PolarHBondContact O-N 3.21Å; E162-P164 WeakPolarHBondContact O-CD 3.27Å
163V74.3Confident69.5Low115 Ų115141.8 Ų141.870%0.69774%0.736SS**PPolyproline II helixtrans-69.7122.4177.4178.90000107.1L161L161-V163 PolarHBondContact O-N 3.2Å
164P75.9Confident68.4Low103 Ų103140.3 Ų140.367%0.66974%0.735SS**PPolyproline II helixtrans-55.4135.5174.5-23.733.3000109.9E162 L166E162-P164 WeakPolarHBondContact O-CD 3.27Å; P164-L166 PolarHBondContact O-N 2.94Å
165P71Confident67.1Low117 Ų117139.9 Ų139.976%0.7673%0.73SS**PPolyproline II helixtrans-59.9127.1178.323-30.8000109.2E167P165-E167 PolarHBondContact O-N 3.06Å
166L65.6Low65.9Low111 Ų111137.8 Ų137.858%0.58172%0.721SS**PPolyproline II helixtrans-62.9122.1173.1-84.889.3000108.7P164 D168 F172P164-L166 PolarHBondContact O-N 2.94Å; L166-D168 PolarHBondContact O-N 2.78Å; L166-F172 HydrophobicContact CD2-CE2 4.05Å; L166-F172 HydrophobicContact CD2-CZ 3.71Å
167E63.8Low65Low181 Ų181135 Ų13585%0.84670%0.703SS**  trans-7591.7172-72158.916800108.3P165 T169P165-E167 PolarHBondContact O-N 3.06Å; E167-T169 PolarHBondContact O-N 3.21Å
168D62.8Low64.3Low127 Ų127131.9 Ų131.968%0.67969%0.691SS**  trans-65.890.3176.1-70.7-25.6000110.9L166L166-D168 PolarHBondContact O-N 2.78Å
169T54.8Low63.6Low106 Ų106128.8 Ų128.865%0.6567%0.673SS**  trans-133.8112.8158.552.30000112.2E167 T171E167-T169 PolarHBondContact O-N 3.21Å; T169-T171 PolarHBondContact O-N 3.47Å
170T55.8Low62.9Low132 Ų132131.7 Ų131.781%0.8167%0.67SS**SBendtrans68.8-21.9152650000120.9
171T55Low62.5Low116 Ų116130 Ų13071%0.71266%0.661SS**SBendtrans-84.2-29.8178.3-44.30000113.1T169 K173T169-T171 PolarHBondContact O-N 3.47Å; T171-K173 VanDerWaalsContact C-N 3.33Å; T171-K173 PolarHBondContact O-N 3.41Å
172F53.2Low62.3Low103 Ų103126.9 Ų126.945%0.45264%0.644SS.*THydrogen-bonded Turntrans-70.8-19-175.1-87.3-87.1000115.3L166 N174 Y175 F176L166-F172 HydrophobicContact CD2-CE2 4.05Å; L166-F172 HydrophobicContact CD2-CZ 3.71Å; F172-N174 VanDerWaalsContact C-N 3.34Å; F172-N174 PolarHBondContact O-N 3.2Å; F172-Y175 PolarHBondContact O-N 3.28Å; F172-F176 HydrophobicContact CB-CE2 4.31Å; F172-F176 HydrophobicContact CD1-CE2 4.34Å; F172-F176 WeakPolarHBondContact O-CD2 3.47Å; F172-F176 PolarHBondContact O-N 3.45Å
173K57.5Low62Low173 Ų173126 Ų12675%0.75264%0.637SS**Hα-helixtrans-70.2-31.1-173.8-156.8171.9-176.1-179.60113T171 Y175T171-K173 VanDerWaalsContact C-N 3.33Å; T171-K173 PolarHBondContact O-N 3.41Å; K173-Y175 VanDerWaalsContact C-N 3.34Å
174N58.1Low61.8Low129 Ų129122.4 Ų122.469%0.6962%0.624SS**Hα-helixtrans-74.7-23.3175.1-84.3-35.6000112.9F172 N178F172-N174 VanDerWaalsContact C-N 3.34Å; F172-N174 PolarHBondContact O-N 3.2Å; N174-N178 PolarHBondContact O-N 3.22Å
175Y55.8Low61.7Low164 Ų164125.1 Ų125.164%0.64363%0.625SS**Hα-helixtrans-74.8-42.9-179.4-138.2-92.3000111.7F172 K173 E177 N178 E179F172-Y175 PolarHBondContact O-N 3.28Å; K173-Y175 VanDerWaalsContact C-N 3.34Å; Y175-E177 PolarHBondContact O-N 3.48Å; Y175-N178 PolarHBondContact O-N 2.84Å; Y175-E179 PolarHBondContact O-N 2.97Å
176F59.1Low61.5Low121 Ų121124.8 Ų124.853%0.53162%0.616SS.*Hα-helixtrans-67.2-31.6178.2-74-70000114.1F172 N178 R180F172-F176 HydrophobicContact CB-CE2 4.31Å; F172-F176 HydrophobicContact CD1-CE2 4.34Å; F172-F176 WeakPolarHBondContact O-CD2 3.47Å; F172-F176 PolarHBondContact O-N 3.45Å; F176-N178 VanDerWaalsContact C-N 3.34Å; F176-R180 WeakPolarHBondContact O-CB 3.27Å; F176-R180 PolarHBondContact O-N 3.46Å
177E59.9Low61.5Low116 Ų116123.3 Ų123.354%0.54262%0.616SS.*Hα-helixtrans-72.4-33.4177.8-157144.9-146.800110.9Y175 N181Y175-E177 PolarHBondContact O-N 3.48Å; E177-N181 VanDerWaalsContact O-CG 3.28Å; E177-N181 PolarHBondContact O-N 3Å; E177-N181 PolarHBondContact O-ND2 3.42Å
178N60.5Low61.7Low102 Ų102122.6 Ų122.655%0.54561%0.612SS.*Hα-helixtrans-72.4-40.8172.5-154.316.5000112.2N174 Y175 F176 R180 N181 M182N174-N178 PolarHBondContact O-N 3.22Å; Y175-N178 PolarHBondContact O-N 2.84Å; F176-N178 VanDerWaalsContact C-N 3.34Å; N178-R180 PolarHBondContact O-N 2.88Å; N178-N181 PolarHBondContact O-N 2.95Å; N178-M182 WeakPolarHBondContact O-CG 3.46Å; N178-M182 PolarHBondContact O-N 3.04Å
179E60.8Low62Low83 Ų83122 Ų12239%0.38861%0.609SS.*Hα-helixtrans-60.7-41173.8-84.2-173.4159.600112.9Y175 N181 M182 F183Y175-E179 PolarHBondContact O-N 2.97Å; E179-N181 VanDerWaalsContact C-N 3.26Å; E179-N181 PolarHBondContact O-N 3.12Å; E179-M182 HydrophobicContact CG-CE 4.17Å; E179-M182 PolarHBondContact O-N 3.23Å; E179-M182 VanDerWaalsContact O-N 3.11Å; E179-F183 PolarHBondContact O-N 3.02Å
180R63.5Low62.1Low182 Ų182121.9 Ų121.969%0.68761%0.611SS**Hα-helixtrans-65.1-33.4178-163.5178.1-70.4143.1-1.1111.7F176 N178 G184F176-R180 WeakPolarHBondContact O-CB 3.27Å; F176-R180 PolarHBondContact O-N 3.46Å; N178-R180 PolarHBondContact O-N 2.88Å; R180-G184 PolarHBondContact O-N 3.49Å
181N65.2Low62.3Low105 Ų105122.6 Ų122.656%0.56161%0.608SS**Hα-helixtrans-73.9-29.9173.5-67.6-8.5000112.5E177 N178 E179 K185E177-N181 VanDerWaalsContact O-CG 3.28Å; E177-N181 PolarHBondContact O-N 3Å; E177-N181 PolarHBondContact O-ND2 3.42Å; N178-N181 PolarHBondContact O-N 2.95Å; E179-N181 VanDerWaalsContact C-N 3.26Å; E179-N181 PolarHBondContact O-N 3.12Å; N181-K185 PolarHBondContact O-N 2.95Å
182M65.4Low62.2Low95 Ų95120.9 Ų120.947%0.46860%0.601SS.*Hα-helixtrans-72.8-39.8172-72.6-164.6-7100112.4N178 E179 G184 K185 L186N178-M182 WeakPolarHBondContact O-CG 3.46Å; N178-M182 PolarHBondContact O-N 3.04Å; E179-M182 HydrophobicContact CG-CE 4.17Å; E179-M182 PolarHBondContact O-N 3.23Å; E179-M182 VanDerWaalsContact O-N 3.11Å; M182-G184 VanDerWaalsContact C-N 3.28Å; M182-G184 PolarHBondContact O-N 3.26Å; M182-K185 PolarHBondContact O-N 3.23Å; M182-L186 WeakPolarHBondContact O-CG 3.21Å; M182-L186 PolarHBondContact O-N 3.38Å
183F64.1Low62.4Low164 Ų164123.8 Ų123.872%0.71962%0.621SS**Hα-helixtrans-59.9-37.1178.7-124.1-86.8000112.6E179 S187E179-F183 PolarHBondContact O-N 3.02Å; F183-S187 WeakPolarHBondContact O-CB 3.44Å; F183-S187 PolarHBondContact O-N 2.95Å; F183-S187 VanDerWaalsContact O-N 3.14Å; F183-S187 PolarHBondContact O-OG 3.29Å
184G69.1Low62Low41 Ų41122.6 Ų122.642%0.42362%0.623SS.*Hα-helixtrans-72.8-30.1174.600000114.2R180 M182 S187R180-G184 PolarHBondContact O-N 3.49Å; M182-G184 VanDerWaalsContact C-N 3.28Å; M182-G184 PolarHBondContact O-N 3.26Å; G184-S187 PolarHBondContact O-OG 2.91Å; G184-S187 VanDerWaalsContact O-OG 3.07Å
185K74.8Confident61.4Low160 Ų160123.7 Ų123.770%0.69662%0.622SS**Hα-helixtrans-78.9-35.3175.9-73.8-171177.7-174.80112.4N181 M182 Q188N181-K185 PolarHBondContact O-N 2.95Å; M182-K185 PolarHBondContact O-N 3.23Å; K185-Q188 PolarHBondContact O-N 3.02Å
186L67.6Low61.2Low109 Ų109119.1 Ų119.157%0.57163%0.625SS**Hα-helixtrans-71.6-34.9175.7-67.8175.1000112.2M182 Q188 L189M182-L186 WeakPolarHBondContact O-CG 3.21Å; M182-L186 PolarHBondContact O-N 3.38Å; L186-Q188 PolarHBondContact O-N 3.34Å; L186-L189 HydrophobicContact CD2-CD1 3.67Å; L186-L189 WeakPolarHBondContact O-CA 3.44Å; L186-L189 VanDerWaalsContact O-CB 3.29Å; L186-L189 WeakPolarHBondContact O-CB 3.45Å; L186-L189 PolarHBondContact O-N 3.39Å
187S65.1Low60.8Low81 Ų81122.6 Ų122.657%0.56664%0.643SS**THydrogen-bonded Turntrans-68.9-16.7175.566.70000113.5F183 G184 C190F183-S187 WeakPolarHBondContact O-CB 3.44Å; F183-S187 PolarHBondContact O-N 2.95Å; F183-S187 VanDerWaalsContact O-N 3.14Å; F183-S187 PolarHBondContact O-OG 3.29Å; G184-S187 PolarHBondContact O-OG 2.91Å; G184-S187 VanDerWaalsContact O-OG 3.07Å; S187-C190 PolarHBondContact O-SG 3.22Å; S187-C190 VanDerWaalsContact O-SG 3.38Å
188Q67.8Low60.3Low165 Ų165124.4 Ų124.477%0.77165%0.651SS**THydrogen-bonded Turntrans-84.9-11.6171.2-163.4154.323.500112.8K185 L186 C190K185-Q188 PolarHBondContact O-N 3.02Å; L186-Q188 PolarHBondContact O-N 3.34Å; Q188-C190 PolarHBondContact O-N 3.32Å
189L68.7Low59.5Low116 Ų116126.7 Ų126.761%0.60766%0.664SS**  trans-81.657.1166.3-55.4172.5000109.3L186 I191L186-L189 HydrophobicContact CD2-CD1 3.67Å; L186-L189 WeakPolarHBondContact O-CA 3.44Å; L186-L189 VanDerWaalsContact O-CB 3.29Å; L186-L189 WeakPolarHBondContact O-CB 3.45Å; L186-L189 PolarHBondContact O-N 3.39Å; L189-I191 VanDerWaalsContact C-N 3.31Å; L189-I191 PolarHBondContact O-N 3.46Å
190C56.8Low58.7Low103 Ų103129.6 Ų129.670%0.69669%0.687SS**  trans-68.895.8165.2-70.60000107.7S187 Q188 S192S187-C190 PolarHBondContact O-SG 3.22Å; S187-C190 VanDerWaalsContact O-SG 3.38Å; Q188-C190 PolarHBondContact O-N 3.32Å; C190-S192 VanDerWaalsContact C-N 3.28Å; C190-S192 PolarHBondContact O-N 3.25Å; C190-S192 VanDerWaalsContact O-N 3.08Å
191I59.5Low58.1Low146 Ų146128.1 Ų128.175%0.74969%0.692SS**  trans-73.195.4159.6-47.2174.9000104.3L189 N193L189-I191 VanDerWaalsContact C-N 3.31Å; L189-I191 PolarHBondContact O-N 3.46Å; I191-N193 PolarHBondContact O-N 2.96Å
192S54.3Low57.1Low80 Ų80131.2 Ų131.256%0.55971%0.707SS**  trans-48.3133172.7-60.30000108.7C190 D194C190-S192 VanDerWaalsContact C-N 3.28Å; C190-S192 PolarHBondContact O-N 3.25Å; C190-S192 VanDerWaalsContact O-N 3.08Å; S192-D194 PolarHBondContact O-N 2.9Å
193N56.3Low56Low165 Ų165132.7 Ų132.788%0.88273%0.727SS**SBendtrans-71.314.4-179.5-13828.7000113.1I191 F195I191-N193 PolarHBondContact O-N 2.96Å; N193-F195 VanDerWaalsContact C-N 3.28Å; N193-F195 PolarHBondContact O-N 3.32Å
194D49.9Very low54.8Low148 Ų148132.3 Ų132.379%0.79173%0.731SS**  trans-93.562.4173.5-78.4-17.5000109.2S192S192-D194 PolarHBondContact O-N 2.9Å
195F46.3Very low53.1Low151 Ų151136 Ų13666%0.66275%0.746SS**SBendtrans-125.4113.6149.4-74.3-82.6000105.6N193 Q197N193-F195 VanDerWaalsContact C-N 3.28Å; N193-F195 PolarHBondContact O-N 3.32Å; F195-Q197 PolarHBondContact O-N 3.13Å
196G50.6Low51.5Low69 Ų69136.6 Ų136.671%0.71176%0.757SS**  trans-60.5104.4178.100000110E198G196-E198 WeakPolarHBondContact O-CG 3.42Å; G196-E198 PolarHBondContact O-N 3.47Å
197Q50.4Low49.7Very low193 Ų193134.9 Ų134.990%0.90277%0.766SS**SBendtrans39.961.1161.1-155.5169.450.700115.2F195F195-Q197 PolarHBondContact O-N 3.13Å
198E49.1Very low48.7Very low154 Ų154136.9 Ų136.972%0.7278%0.78SS**  trans-116.197.5166.2-52.1-168.3-143.500107.4G196 V200G196-E198 WeakPolarHBondContact O-CG 3.42Å; G196-E198 PolarHBondContact O-N 3.47Å; E198-V200 PolarHBondContact O-N 3.5Å
199D45Very low47.3Very low151 Ų151134.4 Ų134.481%0.80778%0.779SS**  trans-61.6115.2174.3-73.5-41.2000109.2L201D199-L201 VanDerWaalsContact C-N 3.25Å; D199-L201 PolarHBondContact O-N 3.3Å
200V43.8Very low46.2Very low144 Ų144136.7 Ų136.787%0.87379%0.787SS**  trans-68.583.4172.6179.70000108.9E198E198-V200 PolarHBondContact O-N 3.5Å
201L50.3Low45.6Very low151 Ų151137.4 Ų137.479%0.79178%0.78SS**  trans-86.5115152.4-77.2177.2000108.1D199 S203D199-L201 VanDerWaalsContact C-N 3.25Å; D199-L201 PolarHBondContact O-N 3.3Å; L201-S203 PolarHBondContact O-N 3.43Å
202L44.7Very low45.4Very low170 Ų170138.5 Ų138.589%0.8979%0.787SS**  trans-7.894.4159.7-63.6162.4000114.7L204L202-L204 PolarHBondContact O-N 2.87Å; L202-L204 VanDerWaalsContact O-N 3.14Å
203S41.6Very low45.7Very low125 Ų125140.5 Ų140.587%0.87479%0.786SS**  trans-68.9103.1164.4-64.20000109.7L201L201-S203 PolarHBondContact O-N 3.43Å
204L39.7Very low45.9Very low156 Ų156138.4 Ų138.482%0.81778%0.775SS**  trans-111.3104.2149.4-163.363.6000109.2L202L202-L204 PolarHBondContact O-N 2.87Å; L202-L204 VanDerWaalsContact O-N 3.14Å
205T33.5Very low47.1Very low119 Ų119140.1 Ų140.173%0.7377%0.77SS**  trans69.691.6156.240.80000119.9
206N39.8Very low49.1Very low172 Ų172136.4 Ų136.492%0.9276%0.76SS**  51.994.7114.6-156.858.7000118.7
207G31Very low50.8Low74 Ų74136.9 Ų136.976%0.76375%0.745SS**  trans168.683.8160.300000114.1
208S44Very low52.7Low123 Ų123132.6 Ų132.686%0.8673%0.728SS**  trans11.6118.3153.7177.60000118.8
209C37.1Very low54.6Low112 Ų112126.8 Ų126.876%0.75770%0.703SS**  166.7101.5128.2-1560000108
210E46.4Very low56.8Low165 Ų165125 Ų12577%0.77169%0.69SS**  73.4120.7116.2-74.4-88.8167.900115.8
211E45.2Very low58.8Low117 Ų117122.7 Ų122.755%0.54767%0.665SS.*  trans69.995.1143.9-123-176.6-179.300119.2K213E211-K213 HydrophobicContact CB-CG 4.09Å; E211-K213 HydrophobicContact CG-CG 3.8Å; E211-K213 PolarHBondContact O-N 3.37Å; E211-K213 WeakPolarHBondContact OE1-CE 3.1Å; E211-K213 IonicContact OE1-NZ 2.64Å; E211-K213 PolarHBondContact OE1-NZ 3.39Å; E211-K213 IonicContact OE2-NZ 3.34Å; E211-K213 PolarHBondContact OE2-NZ 2.92Å
212N54.8Low60.4Low169 Ų169123.6 Ų123.690%0.90467%0.671SS**THydrogen-bonded Turntrans-12.443.5135-46.4-27.3000119.5
213K60.2Low62.6Low123 Ų123118.2 Ų118.254%0.53566%0.657SS.*THydrogen-bonded Turntrans-125.5-28.1-176.3-65.5-76.8175.270.80112.8E211E211-K213 HydrophobicContact CB-CG 4.09Å; E211-K213 HydrophobicContact CG-CG 3.8Å; E211-K213 PolarHBondContact O-N 3.37Å; E211-K213 WeakPolarHBondContact OE1-CE 3.1Å; E211-K213 IonicContact OE1-NZ 2.64Å; E211-K213 PolarHBondContact OE1-NZ 3.39Å; E211-K213 IonicContact OE2-NZ 3.34Å; E211-K213 PolarHBondContact OE2-NZ 2.92Å
214D60.9Low65.1Low121 Ų121119.9 Ų119.965%0.64765%0.649SS**  trans-11771.5-172.2-63.7-27000111.7T216D214-T216 HydrophobicContact CB-CG2 4.35Å; D214-T216 PolarHBondContact O-N 3.21Å
215R74.9Confident67.6Low183 Ų183119 Ų11969%0.69164%0.638SS**  trans-72.469.8165.9-66.2-179-177-157.4-1.3108.7L230R215-L230 HydrophobicContact CB-CB 3.82Å; R215-L230 HydrophobicContact CB-CD2 4.04Å; R215-L230 WeakPolarHBondContact O-CB 3.43Å; R215-L230 PolarHBondContact O-N 3.47Å
216T87.2Confident70.3Confident74 Ų74118.6 Ų118.645%0.45463%0.628SS.*EExtended strand (participates in β ladder)trans-81.8135.6177.156.20000110.8D214 L228D214-T216 HydrophobicContact CB-CG2 4.35Å; D214-T216 PolarHBondContact O-N 3.21Å; T216-L228 CarbonylContact C-O 3.46Å; T216-L228 VanDerWaalsContact CA-O 3.24Å; T216-L228 WeakPolarHBondContact CA-O 3.29Å
217I86.8Confident72.8Confident78 Ų78115.9 Ų115.940%0.461%0.613SS.*EExtended strand (participates in β ladder)trans-118.9136.7178.2-61.8178.9000108.2V219 L228 L230 I233I217-V219 HydrophobicContact CG2-CG2 4.22Å; I217-L228 PolarHBondContact N-O 2.91Å; I217-L228 PolarHBondContact O-N 3.06Å; I217-L230 HydrophobicContact CD1-CB 4.49Å; I217-L230 HydrophobicContact CD1-CD1 3.68Å; I217-I233 HydrophobicContact CB-CD1 3.99Å; I217-I233 HydrophobicContact CD1-CD1 4.34Å
218L91.3Very high75.5Confident104 Ų104113.4 Ų113.455%0.54558%0.582SS.*EExtended strand (participates in β ladder)trans-77.7120.5174.3-165.771.4000109.7F225 E226 L227L218-F225 HydrophobicContact CD1-CB 3.84Å; L218-F225 HydrophobicContact CD2-CB 4.15Å; L218-F225 HydrophobicContact CD2-CD1 4.09Å; L218-F225 HydrophobicContact CD2-CG 4.31Å; L218-F225 HydrophobicContact CG-CB 3.93Å; L218-F225 HydrophobicContact CG-CD1 4.13Å; L218-F225 HydrophobicContact CG-CG 4.41Å; L218-E226 CarbonylContact C-O 3.59Å; L218-E226 WeakPolarHBondContact CA-O 3.37Å; L218-L227 HydrophobicContact CB-CD2 4.04Å; L218-L227 HydrophobicContact CD1-CD2 3.64Å; L218-L227 HydrophobicContact CD1-CG 3.86Å; L218-L227 HydrophobicContact CG-CD2 4.47Å
219V88.6Confident77.6Confident32 Ų32109.5 Ų109.519%0.19455%0.552CS.*EExtended strand (participates in β ladder)trans-124.5132.8-177.7-178.70000109.4I217 R221 F225 E226 L228 I233I217-V219 HydrophobicContact CG2-CG2 4.22Å; V219-R221 HydrophobicContact CG1-CG 4.32Å; V219-F225 WeakPolarHBondContact O-CA 3.35Å; V219-E226 PolarHBondContact N-O 3.47Å; V219-E226 PolarHBondContact O-N 2.92Å; V219-L228 HydrophobicContact CB-CD1 4.14Å; V219-L228 HydrophobicContact CG2-CD1 4.18Å; V219-I233 HydrophobicContact CG2-CD1 3.97Å
220E90.8Very high79.8Confident112 Ų112106.8 Ų106.852%0.52353%0.529SS..EExtended strand (participates in β ladder)trans-85.6122.7173.8-161.9-177.6164.100111G223 K224 F225E220-G223 WeakPolarHBondContact OE1-CA 3.47Å; E220-K224 CarbonylContact C-O 3.51Å; E220-K224 VanDerWaalsContact CA-O 3.3Å; E220-K224 WeakPolarHBondContact CA-O 3.31Å; E220-F225 HydrophobicContact CB-CD1 3.78Å; E220-F225 HydrophobicContact CB-CE1 3.62Å; E220-F225 HydrophobicContact CB-CZ 4.24Å; E220-F225 HydrophobicContact CG-CD1 4.12Å; E220-F225 HydrophobicContact CG-CE1 3.87Å; E220-F225 HydrophobicContact CG-CE2 4.37Å; E220-F225 HydrophobicContact CG-CG 4.48Å; E220-F225 HydrophobicContact CG-CZ 3.99Å; E220-F225 WeakPolarHBondContact OE2-CZ 3.22Å
221R86.9Confident81.4Confident96 Ų96105.4 Ų105.436%0.36252%0.523SS..EExtended strand (participates in β ladder)trans-129.8129.5172.4-63.3-66.1-175160.30.5108.4V219 G223 K224 F238V219-R221 HydrophobicContact CG1-CG 4.32Å; R221-G223 PolarHBondContact O-N 3.49Å; R221-G223 VanDerWaalsContact O-N 3.15Å; R221-K224 PolarHBondContact N-O 3.28Å; R221-K224 PolarHBondContact O-N 3.43Å; R221-F238 VanDerWaalsContact NH1-CE1 3.33Å
222D83.8Confident83.1Confident170 Ų170103.5 Ų103.591%0.90952%0.516SS*.THydrogen-bonded Turntrans53.434.9178.2-57.5-27.5000114.8K224D222-K224 VanDerWaalsContact C-N 3.28Å; D222-K224 PolarHBondContact O-N 2.95Å
223G91.1Very high84.4Confident58 Ų5896.2 Ų96.260%0.59848%0.477SS*.THydrogen-bonded Turntrans74.914.8-17800000114.2E220 R221E220-G223 WeakPolarHBondContact OE1-CA 3.47Å; R221-G223 PolarHBondContact O-N 3.49Å; R221-G223 VanDerWaalsContact O-N 3.15Å
224K92.4Very high84.9Confident160 Ų16093.3 Ų93.370%0.69648%0.476SS*.EExtended strand (participates in β ladder)trans-124139.2176-63.6-174.3178.5-173.50110.2E220 R221 D222E220-K224 CarbonylContact C-O 3.51Å; E220-K224 VanDerWaalsContact CA-O 3.3Å; E220-K224 WeakPolarHBondContact CA-O 3.31Å; R221-K224 PolarHBondContact N-O 3.28Å; R221-K224 PolarHBondContact O-N 3.43Å; D222-K224 VanDerWaalsContact C-N 3.28Å; D222-K224 PolarHBondContact O-N 2.95Å
225F92.3Very high85.4Confident137 Ų13791.5 Ų91.560%0.60147%0.473SS*.EExtended strand (participates in β ladder)trans-88.7128.7174.7-64.2-84.3000110.3L218 V219 E220L218-F225 HydrophobicContact CD1-CB 3.84Å; L218-F225 HydrophobicContact CD2-CB 4.15Å; L218-F225 HydrophobicContact CD2-CD1 4.09Å; L218-F225 HydrophobicContact CD2-CG 4.31Å; L218-F225 HydrophobicContact CG-CB 3.93Å; L218-F225 HydrophobicContact CG-CD1 4.13Å; L218-F225 HydrophobicContact CG-CG 4.41Å; V219-F225 WeakPolarHBondContact O-CA 3.35Å; E220-F225 HydrophobicContact CB-CD1 3.78Å; E220-F225 HydrophobicContact CB-CE1 3.62Å; E220-F225 HydrophobicContact CB-CZ 4.24Å; E220-F225 HydrophobicContact CG-CD1 4.12Å; E220-F225 HydrophobicContact CG-CE1 3.87Å; E220-F225 HydrophobicContact CG-CE2 4.37Å; E220-F225 HydrophobicContact CG-CG 4.48Å; E220-F225 HydrophobicContact CG-CZ 3.99Å; E220-F225 WeakPolarHBondContact OE2-CZ 3.22Å
226E91.1Very high85.3Confident110 Ų11087.4 Ų87.451%0.51446%0.462SS..EExtended strand (participates in β ladder)trans-124140.8177.1-176.9175.6-171.800109.4L218 V219 L228L218-E226 CarbonylContact C-O 3.59Å; L218-E226 WeakPolarHBondContact CA-O 3.37Å; V219-E226 PolarHBondContact N-O 3.47Å; V219-E226 PolarHBondContact O-N 2.92Å; E226-L228 HydrophobicContact CG-CD2 4.25Å; E226-L228 HydrophobicContact CG-CG 4.37Å
227L91.4Very high84.3Confident115 Ų11586.8 Ų86.860%0.60247%0.47SS*.EExtended strand (participates in β ladder)trans-85.6117.5172.1-71.7168.7000108.8L218L218-L227 HydrophobicContact CB-CD2 4.04Å; L218-L227 HydrophobicContact CD1-CD2 3.64Å; L218-L227 HydrophobicContact CD1-CG 3.86Å; L218-L227 HydrophobicContact CG-CD2 4.47Å
228L87.4Confident83.4Confident22 Ų2288 Ų8812%0.11547%0.473CS..EExtended strand (participates in β ladder)trans-115.9141178.3-70.1175.9000110.7T216 I217 V219 E226 I233T216-L228 CarbonylContact C-O 3.46Å; T216-L228 VanDerWaalsContact CA-O 3.24Å; T216-L228 WeakPolarHBondContact CA-O 3.29Å; I217-L228 PolarHBondContact N-O 2.91Å; I217-L228 PolarHBondContact O-N 3.06Å; V219-L228 HydrophobicContact CB-CD1 4.14Å; V219-L228 HydrophobicContact CG2-CD1 4.18Å; E226-L228 HydrophobicContact CG-CD2 4.25Å; E226-L228 HydrophobicContact CG-CG 4.37Å; L228-I233 HydrophobicContact CB-CD1 4Å; L228-I233 HydrophobicContact CB-CG1 3.95Å; L228-I233 HydrophobicContact CD1-CG1 4.38Å
229N89.1Confident82.3Confident41 Ų4187.9 Ų87.922%0.21947%0.472CS..EExtended strand (participates in β ladder)trans-69.4137.9173.3-164.9-39.2000109.7Q231 D232 I233N229-Q231 PolarHBondContact O-N 3.44Å; N229-Q231 VanDerWaalsContact O-N 3.15Å; N229-Q231 PolarHBondContact OD1-N 3.29Å; N229-D232 WeakPolarHBondContact O-CB 3.27Å; N229-D232 PolarHBondContact O-N 3.48Å; N229-I233 PolarHBondContact O-N 2.84Å
230L83.8Confident81.2Confident56 Ų5691.2 Ų91.229%0.29349%0.494SS..Hα-helixtrans-54.7-33179.1179.861.7000112.6R215 I217 D232 I233 A234R215-L230 HydrophobicContact CB-CB 3.82Å; R215-L230 HydrophobicContact CB-CD2 4.04Å; R215-L230 WeakPolarHBondContact O-CB 3.43Å; R215-L230 PolarHBondContact O-N 3.47Å; I217-L230 HydrophobicContact CD1-CB 4.49Å; I217-L230 HydrophobicContact CD1-CD1 3.68Å; L230-D232 VanDerWaalsContact C-N 3.33Å; L230-D232 PolarHBondContact O-N 3.5Å; L230-I233 PolarHBondContact O-N 2.81Å; L230-A234 WeakPolarHBondContact O-CB 3.39Å; L230-A234 PolarHBondContact O-N 3.25Å
231Q79.8Confident79.8Confident135 Ų13592.2 Ų92.263%0.63151%0.511SS*.Hα-helixtrans-63.8-38.9175.7-172.960.440.600112.1N229 S235N229-Q231 PolarHBondContact O-N 3.44Å; N229-Q231 VanDerWaalsContact O-N 3.15Å; N229-Q231 PolarHBondContact OD1-N 3.29Å; Q231-S235 WeakPolarHBondContact O-CB 3.29Å; Q231-S235 PolarHBondContact O-N 2.83Å
232D81.6Confident78.4Confident77 Ų7794 Ų9441%0.41253%0.526SS..Hα-helixtrans-69.5-40.5179-62-32.6000110.5N229 L230 S235 Q236N229-D232 WeakPolarHBondContact O-CB 3.27Å; N229-D232 PolarHBondContact O-N 3.48Å; L230-D232 VanDerWaalsContact C-N 3.33Å; L230-D232 PolarHBondContact O-N 3.5Å; D232-S235 PolarHBondContact O-N 3.39Å; D232-S235 PolarHBondContact O-OG 3.15Å; D232-Q236 WeakPolarHBondContact O-CB 3.45Å; D232-Q236 WeakPolarHBondContact O-CG 3.31Å; D232-Q236 PolarHBondContact O-N 3.17Å
233I80.1Confident76.6Confident16 Ų1693.3 Ų93.38%0.08252%0.522CS..Hα-helixtrans-64.4-43.3177-58.5169.3000111.4I217 V219 L228 N229 L230 S235 Q236 F238 L239I217-I233 HydrophobicContact CB-CD1 3.99Å; I217-I233 HydrophobicContact CD1-CD1 4.34Å; V219-I233 HydrophobicContact CG2-CD1 3.97Å; L228-I233 HydrophobicContact CB-CD1 4Å; L228-I233 HydrophobicContact CB-CG1 3.95Å; L228-I233 HydrophobicContact CD1-CG1 4.38Å; N229-I233 PolarHBondContact O-N 2.84Å; L230-I233 PolarHBondContact O-N 2.81Å; I233-S235 VanDerWaalsContact C-N 3.31Å; I233-S235 PolarHBondContact O-N 2.82Å; I233-Q236 PolarHBondContact O-N 3.24Å; I233-F238 HydrophobicContact CG2-CB 4.48Å; I233-L239 HydrophobicContact CG2-CD1 4.39Å; I233-L239 HydrophobicContact CG2-CG 4.43Å
234A72.3Confident74.5Confident62 Ų6296 Ų9651%0.51252%0.523SS..Hα-helixtrans-64.5-37177.100000111.8L230L230-A234 WeakPolarHBondContact O-CB 3.39Å; L230-A234 PolarHBondContact O-N 3.25Å
235S71.4Confident72.2Confident84 Ų8492.3 Ų92.359%0.58752%0.522SS*.Hα-helixtrans-72.7-28.7177.978.10000113.8Q231 D232 I233 G237Q231-S235 WeakPolarHBondContact O-CB 3.29Å; Q231-S235 PolarHBondContact O-N 2.83Å; D232-S235 PolarHBondContact O-N 3.39Å; D232-S235 PolarHBondContact O-OG 3.15Å; I233-S235 VanDerWaalsContact C-N 3.31Å; I233-S235 PolarHBondContact O-N 2.82Å; S235-G237 VanDerWaalsContact C-N 3.27Å; S235-G237 PolarHBondContact O-N 3.01Å
236Q71.7Confident70Confident97 Ų9792.8 Ų92.845%0.45353%0.531SS..THydrogen-bonded Turntrans-81.5-1.2-177.6-73.3170.2-4.200113.8D232 I233 F238D232-Q236 WeakPolarHBondContact O-CB 3.45Å; D232-Q236 WeakPolarHBondContact O-CG 3.31Å; D232-Q236 PolarHBondContact O-N 3.17Å; I233-Q236 PolarHBondContact O-N 3.24Å; Q236-F238 HydrophobicContact CB-CD2 3.34Å; Q236-F238 HydrophobicContact CB-CE2 3.32Å; Q236-F238 HydrophobicContact CB-CG 4.48Å; Q236-F238 HydrophobicContact CB-CZ 4.43Å; Q236-F238 HydrophobicContact CG-CD2 4.38Å; Q236-F238 HydrophobicContact CG-CE2 4.02Å; Q236-F238 PolarHBondContact O-N 3.32Å
237G67.4Low67.5Low60 Ų6092.1 Ų92.162%0.61954%0.538SS*.THydrogen-bonded Turntrans6819.9174.400000114.5S235 L239S235-G237 VanDerWaalsContact C-N 3.27Å; S235-G237 PolarHBondContact O-N 3.01Å; G237-L239 PolarHBondContact O-N 3.35Å
238F68.1Low65.4Low105 Ų10593 Ų9346%0.46155%0.548SS..  trans-71.4-14.2177.2-73.5-63.2000113.5R221 I233 Q236R221-F238 VanDerWaalsContact NH1-CE1 3.33Å; I233-F238 HydrophobicContact CG2-CB 4.48Å; Q236-F238 HydrophobicContact CB-CD2 3.34Å; Q236-F238 HydrophobicContact CB-CE2 3.32Å; Q236-F238 HydrophobicContact CB-CG 4.48Å; Q236-F238 HydrophobicContact CB-CZ 4.43Å; Q236-F238 HydrophobicContact CG-CD2 4.38Å; Q236-F238 HydrophobicContact CG-CE2 4.02Å; Q236-F238 PolarHBondContact O-N 3.32Å
239L67.8Low63.5Low100 Ų10099.5 Ų99.552%0.52458%0.578SS.*SBendtrans-109.6137.7178-57.5178.6000109.4I233 G237I233-L239 HydrophobicContact CG2-CD1 4.39Å; I233-L239 HydrophobicContact CG2-CG 4.43Å; G237-L239 PolarHBondContact O-N 3.35Å
240P64.5Low61Low102 Ų102105 Ų10566%0.66261%0.608SS**  trans-57.1147.8171.324.5-32.2000109.8I242P240-I242 PolarHBondContact O-N 3.38Å
241P62.8Low58.5Low134 Ų134109.1 Ų109.187%0.8763%0.63SS**  trans-56.6107.8-179.3-20.930.5000110.4N243P241-N243 PolarHBondContact O-N 3.41Å
242I57.1Low56.8Low134 Ų134107.8 Ų107.869%0.68763%0.633SS**  trans-75.7116.1168.841.4173.3000107.3P240 N244P240-I242 PolarHBondContact O-N 3.38Å; I242-N244 PolarHBondContact O-N 3.4Å
243N45.2Very low54.6Low154 Ų154110.9 Ų110.982%0.82465%0.645SS**  trans-69.494.1178.6-166.523.6000108.5P241 A245P241-N243 PolarHBondContact O-N 3.41Å; N243-A245 VanDerWaalsContact C-N 3.28Å; N243-A245 PolarHBondContact O-N 3.48Å
244N46.5Very low52.4Low116 Ų116117.5 Ų117.562%0.6268%0.675SS**  trans-72.383.9174.2-72.60.1000109.2I242 N246I242-N244 PolarHBondContact O-N 3.4Å; N244-N246 PolarHBondContact O-N 2.91Å; N244-N246 VanDerWaalsContact O-N 3.11Å
245A45.1Very low50.4Low81 Ų81121.9 Ų121.967%0.66969%0.69SS**THydrogen-bonded Turntrans-69.40.4176.200000114N243N243-A245 VanDerWaalsContact C-N 3.28Å; N243-A245 PolarHBondContact O-N 3.48Å
246N45.8Very low48.6Very low148 Ų148125.7 Ų125.779%0.79170%0.703SS**THydrogen-bonded Turntrans-131.220.8-171.5-524.9000114N244 T248N244-N246 PolarHBondContact O-N 2.91Å; N244-N246 VanDerWaalsContact O-N 3.11Å; N246-T248 PolarHBondContact O-N 3.21Å
247S38.1Very low46.9Very low96 Ų96127.1 Ų127.167%0.67172%0.72SS**  trans-90.786.6170-166.60000109.3
248T46.9Very low45.3Very low132 Ų132134.7 Ų134.781%0.8173%0.73SS**  trans-65.5138.7166.7-45.20000108.7N246N246-T248 PolarHBondContact O-N 3.21Å
249E48.6Very low43.6Very low160 Ų160135.4 Ų135.475%0.74875%0.748SS**SBendtrans78.287.6170-159.1169.9-162.200115.3
250N36Very low41.9Very low156 Ų156134.5 Ų134.583%0.83475%0.75SS**  174.194.5114.8-83.8-61.7000108.4
251D31.7Very low40.4Very low142 Ų142137.7 Ų137.776%0.75976%0.762SS**  trans-86141.8167.7-17036.7000108Q253D251-Q253 PolarHBondContact OD1-N 3.24Å
252P43.3Very low38.9Very low107 Ų107137 Ų13770%0.69576%0.76SS**  -139.8130.580.222.31000115.3
253Q36.1Very low37.9Very low143 Ų143136 Ų13667%0.66876%0.764SS**  trans71.7124.2134.9-53.8177.42.800119D251D251-Q253 PolarHBondContact OD1-N 3.24Å
254Q33.4Very low37.2Very low154 Ų154135.2 Ų135.272%0.7277%0.765SS**  147.1114.7113.7-72.2-157.111.400113.8
255L31.4Very low36.6Very low155 Ų155135.1 Ų135.181%0.81277%0.774SS**  trans82.383.4144.2-55.9171.5000119.4
256L34Very low35.9Very low164 Ų164134.3 Ų134.386%0.85977%0.773SS**  trans-78.2126153.3-160.182.8000110.1R258L256-R258 PolarHBondContact O-N 3.42Å; L256-R258 VanDerWaalsContact O-N 3.13Å
257P35.7Very low35.2Very low127 Ų127133.4 Ų133.483%0.82577%0.773SS**  trans-78.5100.3168.6-10.827.3000110.4
258R34.1Very low35.1Very low219 Ų219137.5 Ų137.583%0.82678%0.779SS**  trans-67.3123.4159.1-177.1179.1-171.2150.61.8108.7L256 S260L256-R258 PolarHBondContact O-N 3.42Å; L256-R258 VanDerWaalsContact O-N 3.13Å; R258-S260 PolarHBondContact NE-OG 2.93Å
259S32.4Very low34.6Very low120 Ų120139.3 Ų139.384%0.83978%0.776SS**  trans-125.795.4160.8172.90000108.9
260S30.6Very low33.7Very low80 Ų80138.2 Ų138.256%0.55977%0.77SS**  trans-81.4141.4173.4-61.40000110.7R258R258-S260 PolarHBondContact NE-OG 2.93Å
261N33.5Very low33.4Very low170 Ų170138 Ų13891%0.90977%0.769SS**  trans-57.4133.7168.2-59.7-47.8000110.7
262S32.2Very low33.8Very low119 Ų119137 Ų13783%0.83277%0.774SS**  trans-142.9129.1165121.50000110.2
263S34.6Very low33.4Very low112 Ų112138.7 Ų138.778%0.78378%0.782SS**  trans-77.5141.6174.8630000111.4
264V32.1Very low33.3Very low138 Ų138136.4 Ų136.484%0.83679%0.788SS**  trans-144.7137149.4138.20000109.3
265S33.9Very low33.4Very low115 Ų115138.2 Ų138.280%0.80479%0.793SS**  trans-66.1156.6-179.245.10000114.2
266G29.5Very low33.6Very low64 Ų64138.4 Ų138.466%0.6679%0.794SS**  trans174.265.1172.800000119.3
267T31.4Very low33.5Very low129 Ų129139.2 Ų139.279%0.79179%0.792SS**  trans71.3122.9140.768.20000123.3
268K35.1Very low33.3Very low181 Ų181137.4 Ų137.479%0.78779%0.788SS**  trans111.2126.1131-65-128.7-180176.70119
269K37.2Very low33.2Very low171 Ų171132.8 Ų132.874%0.74378%0.784SS**  trans82.6140148.7-60.9-99.8-178.5175.60115.7
270E30.7Very low33.3Very low136 Ų136132.5 Ų132.564%0.63678%0.777SS**  cis-173.7136.9-6.7-176.3165.5140.400104.7
271D29.7Very low33.6Very low151 Ų151137.6 Ų137.681%0.80779%0.792SS**  trans24.5123.5159.1-56-28.7000122.6
272S39Very low33.6Very low122 Ų122135 Ų13585%0.85379%0.788SS**  -165.2133.5118.269.90000112.4
273T34.5Very low33.8Very low143 Ų143135.2 Ų135.288%0.87779%0.789SS**  trans-80.7139.7179.827.70000113.5
274A35.4Very low33.6Very low95 Ų95136.7 Ų136.779%0.78579%0.793SS**  trans162.1104142.900000109
275K34.6Very low33.6Very low191 Ų191133.5 Ų133.583%0.8379%0.788SS**  42.5108.592.3-153.2174-175177.50111.4
276I35.1Very low33.8Very low160 Ų160136.7 Ų136.782%0.82179%0.791SS**  -161.8138.293.7-80.3148.4000110.4
277H33.4Very low34.6Very low180 Ų180139.8 Ų139.883%0.83380%0.799SS**  trans-82.2146167.2-68.7-99.5000111.6
278A29.9Very low35.3Very low90 Ų90141.1 Ų141.174%0.74480%0.8SS**  trans-178.1103.1139.400000109.4
279V33Very low35.8Very low122 Ų122136.5 Ų136.574%0.73980%0.796SS**  81.5102.895.61730000113.5
280T34.2Very low36.2Very low113 Ų113138.9 Ų138.969%0.69380%0.802SS**  trans8135141.222.70000119.4
281H35.8Very low37.1Very low188 Ų188139.4 Ų139.487%0.8781%0.807SS**  -152.3123.2121.9-76.6-62.9000111.1
282S34.8Very low37.9Very low116 Ų116136 Ų13681%0.81180%0.8SS**  trans-77.4142.216648.80000111.1
283S36.2Very low38.6Very low123 Ų123138.2 Ų138.286%0.8680%0.797SS**  trans-140.3122.1158-171.90000111.5
284T31.1Very low39.8Very low142 Ų142136.6 Ų136.687%0.87179%0.789SS**  trans-45.4144.3172-53.70000116.6
285G31.5Very low41Very low71 Ų71137.8 Ų137.873%0.73279%0.788SS**  trans142.5100148.300000118.3
286E38.6Very low42Very low183 Ų183136.6 Ų136.686%0.85579%0.79SS**  trans63.5140.9155.6-97.2-177.2151.500123.6
287P45.5Very low42.6Very low128 Ų128135.8 Ų135.883%0.83179%0.788SS**  trans-99.3108.5177.235.9-23.4000111.5
288L46.3Very low43.6Very low158 Ų158139.4 Ų139.483%0.82779%0.794SS**  trans-109.9122169.9-99.5136.1000110.4
289A46.2Very low44.8Very low83 Ų83143.8 Ų143.869%0.68680%0.796SS**  trans21.7116.3161.300000118.4I291A289-I291 PolarHBondContact O-N 3.44Å
290Y45.7Very low45.8Very low222 Ų222144.7 Ų144.787%0.87180%0.802SS**  trans-60.7102172.5-171.7-99000111.5
291I48.8Very low46.5Very low147 Ų147145.2 Ų145.275%0.75481%0.809SS**  trans-83.9120.4165.3-60.5171.5000107.1A289 Q293A289-I291 PolarHBondContact O-N 3.44Å; I291-Q293 PolarHBondContact O-N 3.34Å
292A46.3Very low47.1Very low79 Ų79142.5 Ų142.565%0.65381%0.808SS**  trans-67.4106.2176.100000110.1
293Q52.9Low47.5Very low169 Ų169142.3 Ų142.379%0.7981%0.807SS**PPolyproline II helixtrans-74.1134.6169.7-88.1-175.3-11.800110.4I291I291-Q293 PolarHBondContact O-N 3.34Å
294P61.1Low47.9Very low108 Ų108142.2 Ų142.270%0.70181%0.806SS**PPolyproline II helixtrans-70.1148.3171.728.1-32.3000111L296P294-L296 PolarHBondContact O-N 3.17Å
295P59.5Low48.4Very low120 Ų120139.2 Ų139.278%0.77980%0.795SS**PPolyproline II helixtrans-64.6128.4-175.823.7-31.9000112.2N297P295-N297 PolarHBondContact O-N 3.36Å
296L55.4Low49.1Very low166 Ų166142 Ų14287%0.86980%0.798SS**  trans-69.174.1169.1-84143.1000110.6P294P294-L296 PolarHBondContact O-N 3.17Å
297N49.2Very low49.3Very low144 Ų144140.8 Ų140.877%0.7780%0.798SS**  trans-144.185.5168.8-85.9-45.4000111.4P295 K299P295-N297 PolarHBondContact O-N 3.36Å; N297-K299 PolarHBondContact O-N 3.48Å
298R53.2Low49.4Very low255 Ų255140.6 Ų140.696%0.96280%0.799SS**  trans-86.774.1164.4-68.7-170.9-177.6-176.91110.2
299K56.5Low49.4Very low183 Ų183140.1 Ų140.180%0.79680%0.798SS**  trans-146.971.8168.3-70.5-171.6-177.5176.30110.9N297N297-K299 PolarHBondContact O-N 3.48Å
300T53.1Low49.8Very low141 Ų141146.7 Ų146.787%0.86581%0.805SS**  trans166.689.8144.236.60000109.1
301C48.1Very low49.9Very low124 Ų124141.6 Ų141.684%0.83880%0.801SS**  trans-117.3125.3155.8-67.50000106.6S303C301-S303 PolarHBondContact O-N 3.11Å; C301-S303 VanDerWaalsContact O-N 3.11Å
302P48.3Very low50.4Low130 Ų130144.2 Ų144.284%0.84481%0.807SS**  trans-72105.7173.128.4-28.7000108.2S304P302-S304 PolarHBondContact O-N 3.46Å
303S43Very low50.5Low112 Ų112143.9 Ų143.978%0.78381%0.811SS**  trans-79.9109.6170.4175.40000108.6C301C301-S303 PolarHBondContact O-N 3.11Å; C301-S303 VanDerWaalsContact O-N 3.11Å
304S45.6Very low50.3Low121 Ų121144.4 Ų144.485%0.84682%0.82SS**  trans-117.869168.360.70000109.6P302P302-S304 PolarHBondContact O-N 3.46Å
305A40.7Very low49.7Very low79 Ų79142.5 Ų142.565%0.65382%0.819SS**  trans-142.9101.5163.500000109.7
306V47.6Very low49.5Very low129 Ų129146.8 Ų146.878%0.78283%0.826SS**  trans33.9121.3144.2-173.20000118.5
307N41.4Very low49.4Very low159 Ų159144 Ų14485%0.8582%0.82SS**  -163.1109.8124.9-82.2-40.7000109.8D309N307-D309 PolarHBondContact O-N 3.06Å
308S49.2Very low49.4Very low123 Ų123144.9 Ų144.986%0.8683%0.825SS**  trans-77.599.2169.9163.10000108.2
309D45.2Very low49Very low149 Ų149139.8 Ų139.880%0.79781%0.812SS**  trans-89.5140172.6-143.2-14.6000111.8N307 S311N307-D309 PolarHBondContact O-N 3.06Å; D309-S311 PolarHBondContact O-N 3.06Å
310R55.1Low48.8Very low221 Ų221141 Ų14183%0.83481%0.811SS**  trans-75.5102.5-161.1177178.4172.5-126.37.9111.1
311S47.4Very low48.7Very low114 Ų114139 Ų13980%0.79780%0.799SS**  trans-104.3122.1167.367.30000111.6D309 G313D309-S311 PolarHBondContact O-N 3.06Å; S311-G313 PolarHBondContact O-N 3.03Å
312K59.1Low48.9Very low202 Ų202140.2 Ų140.288%0.87879%0.792SS**  trans-65.6122.5170.1-74.4-179173.8-179.80108.8
313G48Very low48.8Very low72 Ų72138 Ų13874%0.74278%0.78SS**  trans-16697.9171.200000110.9S311 G315S311-G313 PolarHBondContact O-N 3.03Å; G313-G315 PolarHBondContact O-N 3.09Å
314N49.9Very low49Very low181 Ų181137 Ų13797%0.96878%0.778SS**  trans-59.7124.6168.7-86-19.3000109.8
315G47.6Very low49.1Very low67 Ų67139.4 Ų139.469%0.69178%0.776SS**  trans-179.988.8172.700000111.2G313 S317G313-G315 PolarHBondContact O-N 3.09Å; G315-S317 PolarHBondContact O-N 2.92Å
316K56.8Low49.8Very low211 Ų211143.1 Ų143.192%0.91778%0.783SS**  trans-56.3108.3173.3-63.8173177.3179.10109.4
317S51.9Low49.8Very low108 Ų108141.3 Ų141.376%0.75578%0.776SS**  trans-101.3117.3159.861.70000108.2G315 H319G315-S317 PolarHBondContact O-N 2.92Å; S317-H319 PolarHBondContact O-N 3.28Å
318N49.2Very low50.4Low161 Ų161139.4 Ų139.486%0.86177%0.773SS**  trans-66.399.4170.2-68.6-51.7000107.2R320N318-R320 PolarHBondContact O-N 3.02Å
319H45.4Very low50.6Low148 Ų148139.4 Ų139.469%0.68577%0.767SS**  trans-66.187.4169.1-165-35.7000107.8S317 T321S317-H319 PolarHBondContact O-N 3.28Å; H319-T321 VanDerWaalsContact CE1-CG2 3.44Å; H319-T321 WeakPolarHBondContact CE1-CG2 3.28Å; H319-T321 WeakPolarHBondContact ND1-CA 3.36Å; H319-T321 PolarHBondContact ND1-N 3.17Å; H319-T321 VanDerWaalsContact ND1-N 3.15Å; H319-T321 PolarHBondContact ND1-OG1 3.46Å; H319-T321 PolarHBondContact O-N 3.1Å; H319-T321 PolarHBondContact O-OG1 3.38Å
320R52.9Low51.1Low210 Ų210138.9 Ų138.979%0.79277%0.769SS**  trans-72.283.4159.3-174.6176.2-176.5-179.91106.1N318 Q322N318-R320 PolarHBondContact O-N 3.02Å; R320-Q322 HydrophobicContact CG-CG 4.5Å; R320-Q322 PolarHBondContact O-N 2.94Å
321T51.1Low50.9Low99 Ų99132.1 Ų132.161%0.60776%0.756SS**  trans-62.792.9167.7-21.70000105.5H319 S323H319-T321 VanDerWaalsContact CE1-CG2 3.44Å; H319-T321 WeakPolarHBondContact CE1-CG2 3.28Å; H319-T321 WeakPolarHBondContact ND1-CA 3.36Å; H319-T321 PolarHBondContact ND1-N 3.17Å; H319-T321 VanDerWaalsContact ND1-N 3.15Å; H319-T321 PolarHBondContact ND1-OG1 3.46Å; H319-T321 PolarHBondContact O-N 3.1Å; H319-T321 PolarHBondContact O-OG1 3.38Å; T321-S323 PolarHBondContact O-N 3.33Å
322Q50.6Low51.6Low148 Ų148134 Ų13469%0.69276%0.763SS**  trans-66.7100.1155.6-68-149.8-3.400104.4R320 A324R320-Q322 HydrophobicContact CG-CG 4.5Å; R320-Q322 PolarHBondContact O-N 2.94Å; Q322-A324 PolarHBondContact O-N 3.5Å
323S48.1Very low51.8Low84 Ų84131.6 Ų131.659%0.58775%0.749SS**  trans-51113.2166.146.80000106.3T321 H325T321-S323 PolarHBondContact O-N 3.33Å; S323-H325 VanDerWaalsContact C-N 3.28Å; S323-H325 PolarHBondContact O-N 2.83Å
324A46Very low53.3Low90 Ų90133.3 Ų133.374%0.74475%0.749SS**  trans-55.4103.6163.600000105.6Q322 I326Q322-A324 PolarHBondContact O-N 3.5Å; A324-I326 PolarHBondContact O-N 3.44Å
325H48.9Very low55Low173 Ų173127.8 Ų127.880%0.80172%0.719SS**  trans-55.4114.3161.4-82.5-81.9000105S323 S327S323-H325 VanDerWaalsContact C-N 3.28Å; S323-H325 PolarHBondContact O-N 2.83Å; H325-S327 PolarHBondContact O-N 2.83Å
326I54.4Low57Low157 Ų157126.8 Ų126.881%0.80570%0.701SS**  trans-49.3116.3-179.5-48.1149.9000105.3A324A324-I326 PolarHBondContact O-N 3.44Å
327S48.4Very low58.7Low91 Ų91122.2 Ų122.264%0.63669%0.693SS**  trans-56.8129.7173.166.90000106.5H325 V329H325-S327 PolarHBondContact O-N 2.83Å; S327-V329 PolarHBondContact O-N 3.4Å
328P54.1Low60.6Low119 Ų119127 Ų12777%0.77370%0.695SS**  trans-60.6108.4174.824.2-29.8000106.4T330P328-T330 PolarHBondContact O-N 2.82Å; P328-T330 VanDerWaalsContact O-N 3.08Å
329V53.1Low62.6Low123 Ų123123 Ų12375%0.74567%0.671SS**  trans-49.1120.8166.3174.20000104.9S327 S331S327-V329 PolarHBondContact O-N 3.4Å; V329-S331 PolarHBondContact O-N 2.9Å
330T54.1Low65Low138 Ų138121.7 Ų121.785%0.84766%0.663SS**  trans-65.775.6176.847.20000108.6P328 T332P328-T330 PolarHBondContact O-N 2.82Å; P328-T330 VanDerWaalsContact O-N 3.08Å; T330-T332 PolarHBondContact O-N 3.23Å
331S51.9Low67Low79 Ų79117.3 Ų117.355%0.55265%0.652SS**  trans-70.6115.9164.2176.10000106.4V329 Y333V329-S331 PolarHBondContact O-N 2.9Å; S331-Y333 PolarHBondContact O-N 3.35Å; S331-Y333 VanDerWaalsContact O-N 3.13Å; S331-Y333 PolarHBondContact OG-N 2.84Å; S331-Y333 PolarHBondContact OG-O 3.19Å
332T61.1Low69.1Low154 Ų154117.5 Ų117.595%0.94565%0.648SS**SBendtrans-64.7-7.5171.544.50000112.2T330T330-T332 PolarHBondContact O-N 3.23Å
333Y63.4Low71.1Confident151 Ų151115.6 Ų115.659%0.59264%0.64SS**  trans-97.6108.3174.1-164.9-100.6000111.3S331 L335S331-Y333 PolarHBondContact O-N 3.35Å; S331-Y333 VanDerWaalsContact O-N 3.13Å; S331-Y333 PolarHBondContact OG-N 2.84Å; S331-Y333 PolarHBondContact OG-O 3.19Å; Y333-L335 HydrophobicContact CD1-CD2 4.47Å; Y333-L335 HydrophobicContact CE1-CD2 4.38Å
334C80.4Confident73.4Confident108 Ų108118.6 Ų118.673%0.7364%0.642SS**PPolyproline II helixtrans-79.9122.9168.1-69.80000109.5S336C334-S336 PolarHBondContact O-N 2.93Å
335L85.1Confident75.7Confident64 Ų64118.8 Ų118.834%0.33563%0.627SS.*PPolyproline II helixtrans-56.6139.1172.8-65.7177.9000110.9Y333 Q339 K340Y333-L335 HydrophobicContact CD1-CD2 4.47Å; Y333-L335 HydrophobicContact CE1-CD2 4.38Å; L335-Q339 HydrophobicContact CB-CB 4.05Å; L335-Q339 HydrophobicContact CD2-CB 4.27Å; L335-K340 HydrophobicContact CB-CG 3.75Å; L335-K340 HydrophobicContact CD1-CG 4.44Å; L335-K340 VanDerWaalsContact O-CE 3.32Å; L335-K340 WeakPolarHBondContact O-CE 3.42Å
336S91Very high77.9Confident46 Ų46114.8 Ų114.832%0.32261%0.611SS.*PPolyproline II helixtrans-62.4155.9173.878.20000110.9C334 R338 Q339 K340C334-S336 PolarHBondContact O-N 2.93Å; S336-R338 PolarHBondContact O-N 3.02Å; S336-R338 VanDerWaalsContact O-N 3.16Å; S336-Q339 WeakPolarHBondContact O-CB 3.45Å; S336-Q339 PolarHBondContact O-N 3.25Å; S336-Q339 WeakPolarHBondContact OG-CG 3.46Å; S336-Q339 PolarHBondContact OG-N 3.42Å; S336-K340 PolarHBondContact O-N 3.46Å
337P91Very high79.8Confident116 Ų116113.5 Ų113.575%0.75360%0.602SS**Hα-helixtrans-51.9-39.9177.6-28.335.7000113.1K340 E341P337-K340 PolarHBondContact O-N 2.86Å; P337-E341 PolarHBondContact O-N 2.98Å
338R91.4Very high82Confident209 Ų209113.2 Ų113.279%0.78959%0.591SS**Hα-helixtrans-67.1-38.4177.3-168.2176.9-178.5-166.30.2112.8S336 E341 L342S336-R338 PolarHBondContact O-N 3.02Å; S336-R338 VanDerWaalsContact O-N 3.16Å; R338-E341 PolarHBondContact O-N 2.86Å; R338-L342 PolarHBondContact O-N 2.91Å
339Q93.1Very high83.8Confident75 Ų75114.5 Ų114.535%0.3558%0.584SS.*Hα-helixtrans-67.3-39.7175.5-75.3169-18.700111.8L335 S336 L342 Q343L335-Q339 HydrophobicContact CB-CB 4.05Å; L335-Q339 HydrophobicContact CD2-CB 4.27Å; S336-Q339 WeakPolarHBondContact O-CB 3.45Å; S336-Q339 PolarHBondContact O-N 3.25Å; S336-Q339 WeakPolarHBondContact OG-CG 3.46Å; S336-Q339 PolarHBondContact OG-N 3.42Å; Q339-L342 PolarHBondContact O-N 3.27Å; Q339-Q343 WeakPolarHBondContact O-CB 3.49Å; Q339-Q343 PolarHBondContact O-N 3.2Å
340K94.9Very high85.8Confident122 Ų122117.1 Ų117.153%0.5358%0.581SS.*Hα-helixtrans-63.7-41.7175.4-69.5-178.3178.4176.50111.9L335 S336 P337 Q343 K344L335-K340 HydrophobicContact CB-CG 3.75Å; L335-K340 HydrophobicContact CD1-CG 4.44Å; L335-K340 VanDerWaalsContact O-CE 3.32Å; L335-K340 WeakPolarHBondContact O-CE 3.42Å; S336-K340 PolarHBondContact O-N 3.46Å; P337-K340 PolarHBondContact O-N 2.86Å; K340-Q343 PolarHBondContact O-N 2.88Å; K340-K344 WeakPolarHBondContact O-CB 3.42Å; K340-K344 PolarHBondContact O-N 3.25Å
341E94.5Very high87.6Confident117 Ų117115.3 Ų115.355%0.54756%0.562SS.*Hα-helixtrans-63.9-45.1176.6-174176.5-172.800111.9P337 R338 Q343 K344 Q345P337-E341 PolarHBondContact O-N 2.98Å; R338-E341 PolarHBondContact O-N 2.86Å; E341-Q343 VanDerWaalsContact C-N 3.34Å; E341-Q343 PolarHBondContact O-N 2.91Å; E341-K344 WeakPolarHBondContact O-CB 3.17Å; E341-K344 PolarHBondContact O-N 3.36Å; E341-Q345 WeakPolarHBondContact O-CG 3.12Å; E341-Q345 PolarHBondContact O-N 3.11Å
342L95.2Very high89.5Confident103 Ų103116.7 Ų116.754%0.53956%0.559SS.*Hα-helixtrans-60.1-44.6176.6-178.163.9000111.8R338 Q339 K344 Q345 L346R338-L342 PolarHBondContact O-N 2.91Å; Q339-L342 PolarHBondContact O-N 3.27Å; L342-K344 VanDerWaalsContact C-N 3.33Å; L342-K344 PolarHBondContact O-N 2.91Å; L342-Q345 PolarHBondContact O-N 2.69Å; L342-L346 HydrophobicContact CG-CD1 4.43Å; L342-L346 WeakPolarHBondContact O-CG 3.06Å; L342-L346 PolarHBondContact O-N 3.49Å
343Q93.5Very high90.6Very high109 Ų109115.6 Ų115.651%0.50955%0.546SS..Hα-helixtrans-59.9-43.8176.7-175.6178.55.100111.6Q339 K340 E341 L346 E347Q339-Q343 WeakPolarHBondContact O-CB 3.49Å; Q339-Q343 PolarHBondContact O-N 3.2Å; K340-Q343 PolarHBondContact O-N 2.88Å; E341-Q343 VanDerWaalsContact C-N 3.34Å; E341-Q343 PolarHBondContact O-N 2.91Å; Q343-L346 PolarHBondContact O-N 3.39Å; Q343-E347 PolarHBondContact O-N 2.94Å
344K95.4Very high91.8Very high146 Ų146116.7 Ų116.764%0.63555%0.554SS**Hα-helixtrans-61.3-44.1176.6-176.6-173.6173-170.30112K340 E341 L342 L346 E347 E348K340-K344 WeakPolarHBondContact O-CB 3.42Å; K340-K344 PolarHBondContact O-N 3.25Å; E341-K344 WeakPolarHBondContact O-CB 3.17Å; E341-K344 PolarHBondContact O-N 3.36Å; L342-K344 VanDerWaalsContact C-N 3.33Å; L342-K344 PolarHBondContact O-N 2.91Å; K344-L346 VanDerWaalsContact C-N 3.32Å; K344-L346 PolarHBondContact O-N 3Å; K344-E347 PolarHBondContact O-N 3.22Å; K344-E348 PolarHBondContact O-N 2.92Å
345Q94.6Very high92.1Very high94 Ų94119.3 Ų119.344%0.43955%0.549SS..Hα-helixtrans-63-38.7177.7-71.2-175.712.500112.2E341 L342 K349E341-Q345 WeakPolarHBondContact O-CG 3.12Å; E341-Q345 PolarHBondContact O-N 3.11Å; L342-Q345 PolarHBondContact O-N 2.69Å; Q345-K349 WeakPolarHBondContact O-CG 3.18Å; Q345-K349 PolarHBondContact O-N 3.49Å
346L95.8Very high91.6Very high89 Ų89126.7 Ų126.747%0.46658%0.581SS.*Hα-helixtrans-66.4-40175.8-71.8173000112.1L342 Q343 K344 R350L342-L346 HydrophobicContact CG-CD1 4.43Å; L342-L346 WeakPolarHBondContact O-CG 3.06Å; L342-L346 PolarHBondContact O-N 3.49Å; Q343-L346 PolarHBondContact O-N 3.39Å; K344-L346 VanDerWaalsContact C-N 3.32Å; K344-L346 PolarHBondContact O-N 3Å; L346-R350 WeakPolarHBondContact O-CG 3.43Å; L346-R350 PolarHBondContact O-N 3.11Å
347E94.2Very high91.6Very high131 Ų131130.7 Ų130.761%0.61259%0.594SS**Hα-helixtrans-65.2-44.4175.7-171.9170.6-164.700111.7Q343 K344 K349 R350 E351Q343-E347 PolarHBondContact O-N 2.94Å; K344-E347 PolarHBondContact O-N 3.22Å; E347-K349 PolarHBondContact O-N 3.39Å; E347-R350 WeakPolarHBondContact O-CB 3.48Å; E347-R350 PolarHBondContact O-N 3.2Å; E347-R350 VanDerWaalsContact O-N 3.17Å; E347-E351 PolarHBondContact O-N 2.89Å
348E93.6Very high91.6Very high85 Ų85131.5 Ų131.540%0.39759%0.586SS.*Hα-helixtrans-62.5-41.2176.8-169.3-172.115500112K344 R350 E351 K352K344-E348 PolarHBondContact O-N 2.92Å; E348-R350 VanDerWaalsContact C-N 3.35Å; E348-R350 PolarHBondContact O-N 3.44Å; E348-E351 PolarHBondContact O-N 3.32Å; E348-K352 WeakPolarHBondContact O-CG 3.41Å; E348-K352 PolarHBondContact O-N 3.41Å; E348-K352 WeakPolarHBondContact OE1-CE 3.39Å; E348-K352 IonicContact OE1-NZ 3.49Å; E348-K352 PolarHBondContact OE1-NZ 3.46Å
349K93.1Very high91.6Very high145 Ų145127.2 Ų127.263%0.6358%0.575SS**Hα-helixtrans-60.9-43.1173.7-78.4-176.4177.8-1790111.7Q345 E347 E351 K352 L353Q345-K349 WeakPolarHBondContact O-CG 3.18Å; Q345-K349 PolarHBondContact O-N 3.49Å; E347-K349 PolarHBondContact O-N 3.39Å; K349-E351 VanDerWaalsContact C-N 3.33Å; K349-K352 PolarHBondContact O-N 3.48Å; K349-L353 WeakPolarHBondContact O-CB 3.2Å; K349-L353 PolarHBondContact O-N 2.95Å; K349-L353 VanDerWaalsContact O-N 3.08Å
350R93.9Very high91.5Very high179 Ų179130.2 Ų130.268%0.67559%0.588SS**Hα-helixtrans-64.7-36.7175.7-75.2174.8176.1166.7-0112.1L346 E347 E348 K354L346-R350 WeakPolarHBondContact O-CG 3.43Å; L346-R350 PolarHBondContact O-N 3.11Å; E347-R350 WeakPolarHBondContact O-CB 3.48Å; E347-R350 PolarHBondContact O-N 3.2Å; E347-R350 VanDerWaalsContact O-N 3.17Å; E348-R350 VanDerWaalsContact C-N 3.35Å; E348-R350 PolarHBondContact O-N 3.44Å; R350-K354 VanDerWaalsContact O-CG 3.28Å; R350-K354 WeakPolarHBondContact O-CG 3.41Å; R350-K354 PolarHBondContact O-N 3.06Å; R350-K354 VanDerWaalsContact O-N 3.15Å
351E93.1Very high91.3Very high99 Ų99130.8 Ų130.846%0.46359%0.591SS.*Hα-helixtrans-71-41178-158.9-160.4149.700111.9E347 E348 K349 L353 K354 R355E347-E351 PolarHBondContact O-N 2.89Å; E348-E351 PolarHBondContact O-N 3.32Å; K349-E351 VanDerWaalsContact C-N 3.33Å; E351-L353 PolarHBondContact O-N 3.44Å; E351-K354 PolarHBondContact O-N 3.2Å; E351-K354 VanDerWaalsContact O-N 3.17Å; E351-R355 PolarHBondContact O-N 3.24Å; E351-R355 VanDerWaalsContact O-N 3.14Å; E351-R355 IonicContact OE1-CZ 3.68Å; E351-R355 VanDerWaalsContact OE1-CZ 3.32Å; E351-R355 IonicContact OE1-NE 2.69Å; E351-R355 PolarHBondContact OE1-NE 3.4Å; E351-R355 VanDerWaalsContact OE1-NE 3.13Å; E351-R355 IonicContact OE1-NH2 3Å; E351-R355 PolarHBondContact OE1-NH2 3.16Å; E351-R355 IonicContact OE2-NH2 3.66Å; E351-R355 PolarHBondContact OE2-NH2 3.49Å
352K91.6Very high91.1Very high109 Ų109131.7 Ų131.747%0.47459%0.594SS.*Hα-helixtrans-59-46.7173.7-74.9176.4-176.2167.90111.5E348 K349 K354 R355 E356E348-K352 WeakPolarHBondContact O-CG 3.41Å; E348-K352 PolarHBondContact O-N 3.41Å; E348-K352 WeakPolarHBondContact OE1-CE 3.39Å; E348-K352 IonicContact OE1-NZ 3.49Å; E348-K352 PolarHBondContact OE1-NZ 3.46Å; K349-K352 PolarHBondContact O-N 3.48Å; K352-K354 PolarHBondContact O-N 3.41Å; K352-R355 PolarHBondContact O-N 3.44Å; K352-E356 PolarHBondContact O-N 3.23Å; K352-E356 VanDerWaalsContact O-N 3.14Å
353L84.3Confident90.8Very high130 Ų130133.7 Ų133.768%0.68160%0.598SS**Hα-helixtrans-67.6-19.7178-165.1135.4000113.5K349 E351K349-L353 WeakPolarHBondContact O-CB 3.2Å; K349-L353 PolarHBondContact O-N 2.95Å; K349-L353 VanDerWaalsContact O-N 3.08Å; E351-L353 PolarHBondContact O-N 3.44Å
354K88Confident90.6Very high175 Ų175135.6 Ų135.676%0.76161%0.605SS**Hα-helixtrans-84.2-18.1171.4-77175.4-179.4-1770113.4R350 E351 K352R350-K354 VanDerWaalsContact O-CG 3.28Å; R350-K354 WeakPolarHBondContact O-CG 3.41Å; R350-K354 PolarHBondContact O-N 3.06Å; R350-K354 VanDerWaalsContact O-N 3.15Å; E351-K354 PolarHBondContact O-N 3.2Å; E351-K354 VanDerWaalsContact O-N 3.17Å; K352-K354 PolarHBondContact O-N 3.41Å
355R87.1Confident90.2Very high162 Ų162134.8 Ų134.861%0.61160%0.603SS**Hα-helixtrans-93.5-24-179.8-80.1-165.4-111.4106.1-9113E351 K352E351-R355 PolarHBondContact O-N 3.24Å; E351-R355 VanDerWaalsContact O-N 3.14Å; E351-R355 IonicContact OE1-CZ 3.68Å; E351-R355 VanDerWaalsContact OE1-CZ 3.32Å; E351-R355 IonicContact OE1-NE 2.69Å; E351-R355 PolarHBondContact OE1-NE 3.4Å; E351-R355 VanDerWaalsContact OE1-NE 3.13Å; E351-R355 IonicContact OE1-NH2 3Å; E351-R355 PolarHBondContact OE1-NH2 3.16Å; E351-R355 IonicContact OE2-NH2 3.66Å; E351-R355 PolarHBondContact OE2-NH2 3.49Å; K352-R355 PolarHBondContact O-N 3.44Å
356E73.5Confident89.8Confident219 Ų219138.5 Ų138.5100%1.02362%0.618SS**  trans-74.40162-172.7174.7-167.900110K352K352-E356 PolarHBondContact O-N 3.23Å; K352-E356 VanDerWaalsContact O-N 3.14Å

Retrieved 356 of 356 residues in 59.4 ms (Link to these results)