A0A087WNT3_MOUSE Loading...

Abl interactor 2

AlphaFold DB , UniProt , Accession A0A087WNT3, Species MOUSE (Mus musculus, Mouse), Gene Abi2, Length 360 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
1A91.5Very high94.4Very high94 Ų94131.7 Ų131.778%0.77768%0.682SS**  0-93.6000000113.5R3 E4 I5A1-R3 VanDerWaalsContact C-N 3.29Å; A1-R3 PolarHBondContact O-N 2.82Å; A1-R3 VanDerWaalsContact O-N 3.14Å; A1-E4 VanDerWaalsContact CA-OE2 3.29Å; A1-E4 WeakPolarHBondContact CA-OE2 3.47Å; A1-E4 PolarHBondContact N-OE1 2.91Å; A1-E4 PolarHBondContact N-OE2 2.98Å; A1-E4 PolarHBondContact O-N 2.86Å; A1-E4 VanDerWaalsContact O-N 3.09Å; A1-I5 PolarHBondContact O-N 3.14Å
2R94.8Very high94.3Very high234 Ų234136.2 Ų136.288%0.88369%0.692SS**Hα-helixtrans-60.9-28.1-166.6-76.7-170.9-179.4-1801.7115.3I5 G6R2-I5 WeakPolarHBondContact O-CG2 3.22Å; R2-G6 PolarHBondContact O-N 3.17Å
3R93.9Very high94Very high218 Ų218137.7 Ų137.782%0.82370%0.703SS**Hα-helixtrans-73.9-42.4175.1-174177.8-72.7-173.8-1.5111.8A1 G6A1-R3 VanDerWaalsContact C-N 3.29Å; A1-R3 PolarHBondContact O-N 2.82Å; A1-R3 VanDerWaalsContact O-N 3.14Å; R3-G6 PolarHBondContact O-N 2.91Å
4E94.8Very high93.8Very high119 Ų119136.4 Ų136.456%0.55671%0.705SS**Hα-helixtrans-65.1-44.4178.6-55.6100.5-101.900112.5A1 G6 I7A1-E4 VanDerWaalsContact CA-OE2 3.29Å; A1-E4 WeakPolarHBondContact CA-OE2 3.47Å; A1-E4 PolarHBondContact N-OE1 2.91Å; A1-E4 PolarHBondContact N-OE2 2.98Å; A1-E4 PolarHBondContact O-N 2.86Å; A1-E4 VanDerWaalsContact O-N 3.09Å; E4-G6 PolarHBondContact O-N 2.93Å; E4-I7 WeakPolarHBondContact O-CG1 3.46Å; E4-I7 PolarHBondContact O-N 2.91Å
5I94.2Very high93.6Very high106 Ų106134.7 Ų134.754%0.54471%0.71SS.*Hα-helixtrans-65.6-29.2178-166.562000111.9A1 R2 I7 L8A1-I5 PolarHBondContact O-N 3.14Å; R2-I5 WeakPolarHBondContact O-CG2 3.22Å; I5-I7 VanDerWaalsContact C-N 3.32Å; I5-I7 PolarHBondContact O-N 3.42Å; I5-L8 PolarHBondContact O-N 2.72Å
6G95.8Very high93.7Very high32 Ų32140.9 Ų140.933%0.3372%0.721SS.*Hα-helixtrans-61.3-33.5178.800000114.2R2 R3 E4 L8 T9R2-G6 PolarHBondContact O-N 3.17Å; R3-G6 PolarHBondContact O-N 2.91Å; E4-G6 PolarHBondContact O-N 2.93Å; G6-L8 PolarHBondContact O-N 2.57Å; G6-T9 PolarHBondContact O-N 3.44Å; G6-T9 VanDerWaalsContact O-N 3.09Å; G6-T9 PolarHBondContact O-OG1 3.38Å
7I95.9Very high93.7Very high139 Ų139138.5 Ų138.571%0.71372%0.715SS**THydrogen-bonded Turntrans-69.5-16.7179.783.9-164.9000112.7E4 I5E4-I7 WeakPolarHBondContact O-CG1 3.46Å; E4-I7 PolarHBondContact O-N 2.91Å; I5-I7 VanDerWaalsContact C-N 3.32Å; I5-I7 PolarHBondContact O-N 3.42Å
8L95.6Very high93.8Very high141 Ų141138.7 Ų138.774%0.73871%0.711SS**THydrogen-bonded Turntrans-97.51.1176.8-56.1179.3000112.4I5 G6I5-L8 PolarHBondContact O-N 2.72Å; G6-L8 PolarHBondContact O-N 2.57Å
9T93.5Very high94Very high99 Ų99143.1 Ų143.161%0.60773%0.725SS**  trans-104.5147.4177.7610000111.9G6G6-T9 PolarHBondContact O-N 3.44Å; G6-T9 VanDerWaalsContact O-N 3.09Å; G6-T9 PolarHBondContact O-OG1 3.38Å
10T93.6Very high94Very high133 Ų133143.3 Ų143.382%0.81673%0.726SS**  trans-128.7163.6169.1-1720000109.7K12T10-K12 PolarHBondContact O-N 2.83Å
11N94.6Very high94.1Very high134 Ų134142.4 Ų142.472%0.71772%0.722SS**  trans-64.8122.2-177.6-70.921.4000110.5N13N11-N13 PolarHBondContact O-N 3.22Å; N11-N13 PolarHBondContact O-OD1 3.44Å
12K94.1Very high94.2Very high185 Ų185141.3 Ų141.380%0.80471%0.713SS**  trans-74.8103.8166.461.8177.7-173.4175.80109.6T10 T14T10-K12 PolarHBondContact O-N 2.83Å; K12-T14 PolarHBondContact O-N 2.75Å
13N90.4Very high94.3Very high156 Ų156134.4 Ų134.483%0.83470%0.699SS**  trans-73.170.3175.2-66.692.9000111.3N11N11-N13 PolarHBondContact O-N 3.22Å; N11-N13 PolarHBondContact O-OD1 3.44Å
14T90.3Very high94.4Very high119 Ų119129.2 Ų129.273%0.7370%0.702SS**PPolyproline II helixtrans-82.9120.2172.4-178.70000109.9K12K12-T14 PolarHBondContact O-N 2.75Å
15S90.5Very high94.4Very high111 Ų111129.6 Ų129.678%0.77671%0.708SS**PPolyproline II helixtrans-96.7136.7174.5490000110.3
16R95.3Very high94.4Very high235 Ų235130.7 Ų130.789%0.88771%0.714SS**PPolyproline II helixtrans-103127.7169.6-165.6179.5-163.8-894.8108.2
17T94Very high94.4Very high100 Ų100138 Ų13861%0.61374%0.74SS**  trans-121.5164.2176.4-1690000110.8
18H96.3Very high94.4Very high142 Ų142140.7 Ų140.766%0.65774%0.741SS**  trans-79.9150.7171.4-71.8-114.7000109.9I20 I21H18-I20 WeakPolarHBondContact CB-O 3.32Å; H18-I20 PolarHBondContact O-N 2.92Å; H18-I21 HydrophobicContact CB-CG1 4.25Å
19K96.3Very high94.4Very high221 Ų221140.4 Ų140.496%0.96175%0.748SS**SBendtrans-64.7-28.4177.8-68.6-173.1177.3-175.70112.9
20I95.1Very high94.6Very high147 Ų147142.1 Ų142.175%0.75476%0.758SS**  trans-134.5135.6177.6-57.6175.4000106.2H18H18-I20 WeakPolarHBondContact CB-O 3.32Å; H18-I20 PolarHBondContact O-N 2.92Å
21I95.4Very high94.7Very high126 Ų126144.9 Ų144.965%0.64675%0.753SS**  trans-126.4111.4170.1-60.9176.6000105.8H18H18-I21 HydrophobicContact CB-CG1 4.25Å
22A94.9Very high94.8Very high70 Ų70147.2 Ų147.258%0.57975%0.753SS**  trans-70.6147173.800000110.2L26A22-L26 HydrophobicContact CB-CD2 4.39Å
23P96.4Very high94.8Very high90 Ų90143.2 Ų143.258%0.58474%0.74SS**  trans-64.9145.7173.228.9-34.3000110.5N25 L26P23-N25 PolarHBondContact O-N 3.14Å; P23-N25 VanDerWaalsContact O-N 3.16Å; P23-L26 HydrophobicContact CG-CD2 4.24Å
24A95.2Very high94.9Very high109 Ų109142.6 Ų142.690%0.90173%0.725SS**SBendtrans-63.2-22.2-176.500000113.9
25N95.9Very high95.2Very high126 Ų126145 Ų14567%0.67473%0.726SS**SBendtrans-116.9122.5163.5-66.9-87.1000107.3P23P23-N25 PolarHBondContact O-N 3.14Å; P23-N25 VanDerWaalsContact O-N 3.16Å
26L94.4Very high95.3Very high129 Ų129144.1 Ų144.168%0.67572%0.718SS**PPolyproline II helixtrans-74.2155.2167.5-59.3-179.7000109.7A22 P23A22-L26 HydrophobicContact CB-CD2 4.39Å; P23-L26 HydrophobicContact CG-CD2 4.24Å
27E94.9Very high95.1Very high186 Ų186138.2 Ų138.287%0.86970%0.702SS**PPolyproline II helixtrans-62.2137173.2-166.9173.5141.400110.2
28R96.3Very high95Very high195 Ų195137.3 Ų137.374%0.73669%0.694SS**PPolyproline II helixtrans-83.1127.4179.3-66.1-173.1-178.887.62.8109V30R28-V30 PolarHBondContact O-N 2.84Å
29P95.2Very high94.8Very high136 Ų136137.4 Ų137.488%0.88369%0.69SS**  trans-57112.4174.1-25.735.2000111.3
30V96.7Very high94.6Very high134 Ų134130.9 Ų130.981%0.81267%0.668SS**PPolyproline II helixtrans-87.4118.8176.7-177.60000108.5R28R28-V30 PolarHBondContact O-N 2.84Å
31R96.5Very high94.5Very high192 Ų192129.5 Ų129.573%0.72566%0.661SS**PPolyproline II helixtrans-69.7131.2174.6-173.2-179.358.676-15.2110
32Y96.3Very high94.5Very high183 Ų183128.9 Ų128.972%0.71866%0.658SS**PPolyproline II helixtrans-57.4145.5171.2177.1-102.9000112R34Y32-R34 HydrophobicContact CE1-CG 4.04Å
33I94.5Very high94.3Very high101 Ų101126.8 Ų126.852%0.51864%0.638SS.*  trans-146.8124.2179.1-176.359.3000108
34R93.4Very high94.1Very high142 Ų142129.7 Ų129.754%0.53665%0.648SS.*  trans-62.3142.3168.2-82.5179.165.5-152.21.8108.9Y32 E360Y32-R34 HydrophobicContact CE1-CG 4.04Å; R34-E360 IonicContact CZ-OE2 2.68Å; R34-E360 IonicContact NH1-OE2 2.66Å; R34-E360 PolarHBondContact NH1-OE2 2.63Å; R34-E360 PolarHBondContact NH2-O 2.77Å; R34-E360 IonicContact NH2-OE2 2.64Å; R34-E360 PolarHBondContact NH2-OE2 2.72Å
35K95.1Very high94Very high169 Ų169130.2 Ų130.274%0.73564%0.635SS**  trans-141.3141.4168.5-66.1-174177.1-173.50107.8
36P92.4Very high93.8Very high94 Ų94127.5 Ų127.561%0.6164%0.637SS**  trans-59.8161.9168.924.2-33.6000111.1D38 E360P36-D38 PolarHBondContact O-N 2.93Å; P36-D38 VanDerWaalsContact O-N 3.09Å; P36-E360 WeakPolarHBondContact CA-OXT 3.49Å; P36-E360 WeakPolarHBondContact CB-OXT 3.29Å
37I91.9Very high93.6Very high110 Ų110130.4 Ų130.456%0.56465%0.646SS**  trans-70.5104.3172.6-55.9176.4000108.8Y39I37-Y39 HydrophobicContact CB-CE2 4.14Å; I37-Y39 HydrophobicContact CG2-CD1 4.05Å; I37-Y39 HydrophobicContact CG2-CD2 4.22Å; I37-Y39 HydrophobicContact CG2-CE1 3.65Å; I37-Y39 HydrophobicContact CG2-CE2 3.82Å; I37-Y39 HydrophobicContact CG2-CG 4.32Å; I37-Y39 PolarHBondContact O-N 2.9Å
38D92.8Very high93Very high82 Ų82123.1 Ų123.144%0.43962%0.621SS.*  trans-87.196.7173.7-176.9-4.3000110.3P36 T40 I41P36-D38 PolarHBondContact O-N 2.93Å; P36-D38 VanDerWaalsContact O-N 3.09Å; D38-T40 PolarHBondContact O-N 2.82Å; D38-T40 WeakPolarHBondContact OD1-CA 3.26Å; D38-T40 WeakPolarHBondContact OD1-CB 3.5Å; D38-T40 PolarHBondContact OD1-N 3.34Å; D38-T40 PolarHBondContact OD1-OG1 2.99Å; D38-I41 HydrophobicContact CB-CG2 3.78Å; D38-I41 VanDerWaalsContact CG-CG2 3.47Å; D38-I41 WeakPolarHBondContact O-CG1 3.41Å; D38-I41 WeakPolarHBondContact OD2-CG2 3.44Å
39Y90.3Very high92.2Very high144 Ų144118.9 Ų118.957%0.56562%0.617SS**THydrogen-bonded Turntrans-67.5-9.8176.2-61.6-78.7000113.8I37I37-Y39 HydrophobicContact CB-CE2 4.14Å; I37-Y39 HydrophobicContact CG2-CD1 4.05Å; I37-Y39 HydrophobicContact CG2-CD2 4.22Å; I37-Y39 HydrophobicContact CG2-CE1 3.65Å; I37-Y39 HydrophobicContact CG2-CE2 3.82Å; I37-Y39 HydrophobicContact CG2-CG 4.32Å; I37-Y39 PolarHBondContact O-N 2.9Å
40T92.4Very high91.8Very high83 Ų83117.5 Ų117.551%0.50960%0.597SS.*THydrogen-bonded Turntrans-92-9.8-176.374.20000114.1D38 L42 D43D38-T40 PolarHBondContact O-N 2.82Å; D38-T40 WeakPolarHBondContact OD1-CA 3.26Å; D38-T40 WeakPolarHBondContact OD1-CB 3.5Å; D38-T40 PolarHBondContact OD1-N 3.34Å; D38-T40 PolarHBondContact OD1-OG1 2.99Å; T40-L42 PolarHBondContact O-N 2.99Å; T40-D43 WeakPolarHBondContact O-CB 3.15Å; T40-D43 PolarHBondContact O-N 2.89Å
41I94.6Very high90.5Very high118 Ų118119.6 Ų119.661%0.60559%0.59SS**THydrogen-bonded Turntrans-60-12.5-178.968.4-175.8000114.9D38D38-I41 HydrophobicContact CB-CG2 3.78Å; D38-I41 VanDerWaalsContact CG-CG2 3.47Å; D38-I41 WeakPolarHBondContact O-CG1 3.41Å; D38-I41 WeakPolarHBondContact OD2-CG2 3.44Å
42L94.3Very high89Confident113 Ų113116.1 Ų116.159%0.59259%0.586SS**THydrogen-bonded Turntrans-109.2-4.5177.4-52.2-178.1000113.5T40 D44 I45T40-L42 PolarHBondContact O-N 2.99Å; L42-D44 VanDerWaalsContact C-N 3.3Å; L42-D44 PolarHBondContact O-N 2.97Å; L42-I45 HydrophobicContact CD2-CD1 3.83Å; L42-I45 WeakPolarHBondContact O-CB 3.11Å; L42-I45 PolarHBondContact O-N 2.8Å
43D89.9Confident87.2Confident26 Ų26112.5 Ų112.514%0.13958%0.578CS.*THydrogen-bonded Turntrans-60.3-38.6-174.5-1000.3000112.5T40 I45 G48 K50T40-D43 WeakPolarHBondContact O-CB 3.15Å; T40-D43 PolarHBondContact O-N 2.89Å; D43-I45 VanDerWaalsContact C-N 3.28Å; D43-I45 PolarHBondContact O-N 2.77Å; D43-G48 VanDerWaalsContact O-CA 3.24Å; D43-G48 WeakPolarHBondContact O-CA 3.49Å; D43-G48 PolarHBondContact O-N 3.01Å; D43-K50 WeakPolarHBondContact OD2-CE 3.4Å; D43-K50 WeakPolarHBondContact OD2-CG 2.99Å; D43-K50 IonicContact OD2-NZ 3.21Å; D43-K50 PolarHBondContact OD2-NZ 3.42Å
44D92.6Very high85.4Confident152 Ų152116.6 Ų116.681%0.81359%0.587SS**THydrogen-bonded Turntrans-85.3-0.4-178.9-60.7-31.7000112.7L42 G46L42-D44 VanDerWaalsContact C-N 3.3Å; L42-D44 PolarHBondContact O-N 2.97Å; D44-G46 PolarHBondContact O-N 2.75Å
45I93.6Very high83.4Confident120 Ų120115.3 Ų115.362%0.61559%0.585SS**THydrogen-bonded Turntrans-90.590.4-179.1-54.5-173.8000109.9L42 D43 H47L42-I45 HydrophobicContact CD2-CD1 3.83Å; L42-I45 WeakPolarHBondContact O-CB 3.11Å; L42-I45 PolarHBondContact O-N 2.8Å; D43-I45 VanDerWaalsContact C-N 3.28Å; D43-I45 PolarHBondContact O-N 2.77Å; I45-H47 PolarHBondContact O-N 3.38Å
46G92.4Very high81.1Confident69 Ų69113.3 Ų113.371%0.71158%0.577SS**THydrogen-bonded Turntrans85-93.3174.300000113D44D44-G46 PolarHBondContact O-N 2.75Å
47H90.6Very high79.1Confident189 Ų189113.4 Ų113.488%0.87558%0.575SS**THydrogen-bonded Turntrans-135.656.7-177.9-63.191.3000110.3I45I45-H47 PolarHBondContact O-N 3.38Å
48G82.1Confident77Confident34 Ų34112.9 Ų112.935%0.35158%0.582SS.*  trans-64.6157-178.200000113.7D43D43-G48 VanDerWaalsContact O-CA 3.24Å; D43-G48 WeakPolarHBondContact O-CA 3.49Å; D43-G48 PolarHBondContact O-N 3.01Å
49V78.3Confident74.8Confident105 Ų105114.4 Ų114.464%0.63659%0.594SS**  trans-119.386.8-169.8-176.50000109.8W51V49-W51 PolarHBondContact O-N 2.89Å; V49-W51 VanDerWaalsContact O-N 3.09Å
50K86.4Confident72.7Confident107 Ų107115.3 Ų115.347%0.46560%0.604SS.*  trans-55.3115.5-179.6-37-164.573.363.90110.1D43 L52 L53D43-K50 WeakPolarHBondContact OD2-CE 3.4Å; D43-K50 WeakPolarHBondContact OD2-CG 2.99Å; D43-K50 IonicContact OD2-NZ 3.21Å; D43-K50 PolarHBondContact OD2-NZ 3.42Å; K50-L52 VanDerWaalsContact C-N 3.27Å; K50-L52 PolarHBondContact O-N 3.21Å; K50-L52 VanDerWaalsContact O-N 3.12Å; K50-L53 WeakPolarHBondContact O-CB 3.36Å; K50-L53 PolarHBondContact O-N 2.95Å
51W70.2Confident70.4Confident178 Ų178117.5 Ų117.567%0.67461%0.612SS**Hα-helixtrans-46.1-47.6-173.8-179.396.5000113.2V49 L53 R54 F55V49-W51 PolarHBondContact O-N 2.89Å; V49-W51 VanDerWaalsContact O-N 3.09Å; W51-L53 PolarHBondContact O-N 3.42Å; W51-L53 VanDerWaalsContact O-N 3.14Å; W51-R54 VanDerWaalsContact O-CB 3.24Å; W51-R54 WeakPolarHBondContact O-CB 3.39Å; W51-R54 PolarHBondContact O-N 3.36Å; W51-F55 HydrophobicContact CD2-CD2 4Å; W51-F55 AromaticContact CD2-CE2 3.82Å; W51-F55 HydrophobicContact CD2-CE2 3.82Å; W51-F55 AromaticContact CE2-CD2 3.94Å; W51-F55 AromaticContact CE2-CE2 3.35Å; W51-F55 HydrophobicContact CE3-CD2 4.23Å; W51-F55 HydrophobicContact CE3-CE2 4.44Å; W51-F55 HydrophobicContact CG-CE2 4.26Å; W51-F55 HydrophobicContact CH2-CD2 4.32Å; W51-F55 HydrophobicContact CH2-CE2 4.24Å; W51-F55 HydrophobicContact CZ2-CD2 4.11Å; W51-F55 AromaticContact CZ2-CE2 3.59Å; W51-F55 HydrophobicContact CZ2-CE2 3.59Å; W51-F55 HydrophobicContact CZ2-CZ 4Å; W51-F55 HydrophobicContact CZ3-CD2 4.38Å; W51-F55 AromaticContact NE1-CE2 3.54Å; W51-F55 WeakPolarHBondContact O-CD2 3.45Å
52L65.6Low68.1Low120 Ų120120.8 Ų120.863%0.62863%0.627SS**Hα-helixtrans-55.7-31.5179.6-176.463.2000114.1K50 K56K50-L52 VanDerWaalsContact C-N 3.27Å; K50-L52 PolarHBondContact O-N 3.21Å; K50-L52 VanDerWaalsContact O-N 3.12Å; L52-K56 WeakPolarHBondContact O-CB 3.33Å; L52-K56 PolarHBondContact O-N 2.97Å; L52-K56 VanDerWaalsContact O-N 3.12Å
53L58Low65.8Low107 Ų107124.1 Ų124.156%0.5664%0.637SS**Hα-helixtrans-74.2-31.9179.5-169.561.3000111.6K50 W51 F55 K56 V57K50-L53 WeakPolarHBondContact O-CB 3.36Å; K50-L53 PolarHBondContact O-N 2.95Å; W51-L53 PolarHBondContact O-N 3.42Å; W51-L53 VanDerWaalsContact O-N 3.14Å; L53-F55 VanDerWaalsContact C-N 3.35Å; L53-F55 PolarHBondContact O-N 2.91Å; L53-K56 PolarHBondContact O-N 3.48Å; L53-V57 HydrophobicContact CD1-CG2 4.22Å; L53-V57 HydrophobicContact CG-CG2 4.31Å; L53-V57 WeakPolarHBondContact O-CB 3.33Å; L53-V57 WeakPolarHBondContact O-CG2 3.48Å; L53-V57 PolarHBondContact O-N 3.12Å
54R55.8Low63.3Low186 Ų186131.4 Ų131.470%0.70267%0.672SS**Hα-helixtrans-60.3-44.3177.1-150-172.3-136.7-151.48.8111.2W51 S58W51-R54 VanDerWaalsContact O-CB 3.24Å; W51-R54 WeakPolarHBondContact O-CB 3.39Å; W51-R54 PolarHBondContact O-N 3.36Å; R54-S58 PolarHBondContact O-N 3.28Å
55F52.1Low60.6Low115 Ų115127.8 Ų127.850%0.50467%0.671SS.*Hα-helixtrans-75.2-38.5177.1-68.6-89.1000112.6W51 L53 V57 S58W51-F55 HydrophobicContact CD2-CD2 4Å; W51-F55 AromaticContact CD2-CE2 3.82Å; W51-F55 HydrophobicContact CD2-CE2 3.82Å; W51-F55 AromaticContact CE2-CD2 3.94Å; W51-F55 AromaticContact CE2-CE2 3.35Å; W51-F55 HydrophobicContact CE3-CD2 4.23Å; W51-F55 HydrophobicContact CE3-CE2 4.44Å; W51-F55 HydrophobicContact CG-CE2 4.26Å; W51-F55 HydrophobicContact CH2-CD2 4.32Å; W51-F55 HydrophobicContact CH2-CE2 4.24Å; W51-F55 HydrophobicContact CZ2-CD2 4.11Å; W51-F55 AromaticContact CZ2-CE2 3.59Å; W51-F55 HydrophobicContact CZ2-CE2 3.59Å; W51-F55 HydrophobicContact CZ2-CZ 4Å; W51-F55 HydrophobicContact CZ3-CD2 4.38Å; W51-F55 AromaticContact NE1-CE2 3.54Å; W51-F55 WeakPolarHBondContact O-CD2 3.45Å; L53-F55 VanDerWaalsContact C-N 3.35Å; L53-F55 PolarHBondContact O-N 2.91Å; F55-V57 PolarHBondContact O-N 3.21Å; F55-S58 PolarHBondContact O-N 2.83Å
56K47.4Very low58.4Low127 Ų127125.8 Ų125.855%0.55268%0.68SS**Hα-helixtrans-59.7-45.2175.8-169.879.776.7177.90111.7L52 L53 S58 T59L52-K56 WeakPolarHBondContact O-CB 3.33Å; L52-K56 PolarHBondContact O-N 2.97Å; L52-K56 VanDerWaalsContact O-N 3.12Å; L53-K56 PolarHBondContact O-N 3.48Å; K56-S58 PolarHBondContact O-N 3.41Å; K56-T59 PolarHBondContact O-N 3.46Å; K56-T59 PolarHBondContact O-OG1 2.67Å
57V48.8Very low56Low96 Ų96130.3 Ų130.358%0.58269%0.687SS**Hα-helixtrans-66.9-35.5-179.2171.20000112.2L53 F55 T59 Q60L53-V57 HydrophobicContact CD1-CG2 4.22Å; L53-V57 HydrophobicContact CG-CG2 4.31Å; L53-V57 WeakPolarHBondContact O-CB 3.33Å; L53-V57 WeakPolarHBondContact O-CG2 3.48Å; L53-V57 PolarHBondContact O-N 3.12Å; F55-V57 PolarHBondContact O-N 3.21Å; V57-T59 VanDerWaalsContact C-N 3.26Å; V57-T59 PolarHBondContact O-N 2.7Å; V57-Q60 PolarHBondContact O-N 2.77Å
58S48.2Very low53.8Low100 Ų100126.9 Ų126.970%0.69968%0.681SS**Hα-helixtrans-60.5-33.4178.9-1610000113.2R54 F55 K56 Q60R54-S58 PolarHBondContact O-N 3.28Å; F55-S58 PolarHBondContact O-N 2.83Å; K56-S58 PolarHBondContact O-N 3.41Å; S58-Q60 VanDerWaalsContact C-N 3.35Å; S58-Q60 PolarHBondContact O-N 2.83Å
59T47.6Very low51.7Low113 Ų113135.4 Ų135.469%0.69370%0.703SS**THydrogen-bonded Turntrans-82.5-4.4-178.857.10000114.7K56 V57K56-T59 PolarHBondContact O-N 3.46Å; K56-T59 PolarHBondContact O-OG1 2.67Å; V57-T59 VanDerWaalsContact C-N 3.26Å; V57-T59 PolarHBondContact O-N 2.7Å
60Q46.8Very low49.9Very low164 Ų164136.9 Ų136.977%0.76671%0.712SS**THydrogen-bonded Turntrans-12346.3-177.5-66.8-161.3-14.500114.1V57 S58V57-Q60 PolarHBondContact O-N 2.77Å; S58-Q60 VanDerWaalsContact C-N 3.35Å; S58-Q60 PolarHBondContact O-N 2.83Å
61N44.2Very low47.8Very low129 Ų129135.6 Ų135.669%0.6971%0.713SS**  trans-139.970.4168-160.7-2.7000114.1
62M45.9Very low46.4Very low186 Ų186131.7 Ų131.792%0.91671%0.711SS**  trans-121.129177.6-94.9-72.7163.100113.8
63K44.3Very low45.3Very low183 Ų183131.6 Ų131.680%0.79672%0.718SS**SBendtrans-157.4127.8168.3-14473.5176.2-176.90115.8
64M38.2Very low45Very low179 Ų179132.1 Ų132.188%0.88273%0.725SS**  trans72.9139.8155.8-158.468.895.100118.5
65G36Very low45.1Very low77 Ų77131.1 Ų131.179%0.79473%0.729SS**  trans97.3119.2166.300000114.2
66G47.6Very low45.7Very low77 Ų77131.2 Ų131.279%0.79473%0.729SS**  trans-103135.2-175.400000114.3
67L41Very low46.9Very low164 Ų164126.1 Ų126.186%0.85971%0.708SS**  trans-135.3156.7156.6-80.2175.5000107.7R69L67-R69 PolarHBondContact O-N 3.06Å
68P45.7Very low48.1Very low117 Ų117126.8 Ų126.876%0.7672%0.715SS**  trans-64.1127.8-175.825.3-33.9000111.3T70P68-T70 PolarHBondContact O-N 2.79Å
69R38Very low49.4Very low214 Ų214126.2 Ų126.281%0.80871%0.711SS**  trans-58.8102.8171.5-81.516451.7-155.3-2.9110.2L67 T71L67-R69 PolarHBondContact O-N 3.06Å; R69-T71 PolarHBondContact O-N 3.41Å; R69-T71 VanDerWaalsContact O-N 3.16Å
70T40.2Very low50.6Low135 Ų135121.7 Ų121.783%0.82868%0.683SS**  trans-64.1105.6140.9530000106.1P68P68-T70 PolarHBondContact O-N 2.79Å
71T42.4Very low51.6Low80 Ų80118.4 Ų118.449%0.49168%0.676SS.*  trans-56.4139.316742.50000108.2R69R69-T71 PolarHBondContact O-N 3.41Å; R69-T71 VanDerWaalsContact O-N 3.16Å
72P41.5Very low52.8Low97 Ų97117 Ų11763%0.6367%0.667SS**  trans-54.7155.3162.228.2-34.7000108.4T74P72-T74 VanDerWaalsContact C-N 3.32Å; P72-T74 WeakPolarHBondContact O-CG2 3.45Å; P72-T74 PolarHBondContact O-N 2.86Å
73P41.3Very low53.5Low118 Ų118112.4 Ų112.477%0.76665%0.653SS**  trans-65.693.3179.727.2-33.9000109.6Q75P73-Q75 PolarHBondContact O-N 2.97Å
74T51.9Low54Low117 Ų117107.1 Ų107.172%0.71865%0.65SS**  trans-74.840.8178.260.70000111.5P72 K76P72-T74 VanDerWaalsContact C-N 3.32Å; P72-T74 WeakPolarHBondContact O-CG2 3.45Å; P72-T74 PolarHBondContact O-N 2.86Å; T74-K76 PolarHBondContact O-N 3.38Å
75Q58.5Low54.5Low166 Ų166108.3 Ų108.378%0.77665%0.651SS**  trans-79.174.8172-65.3-1705.900107.6P73P73-Q75 PolarHBondContact O-N 2.97Å
76K64.8Low55Low117 Ų117108.2 Ų108.251%0.50965%0.65SS.*  trans-40.7122.6162.4-164.3-161.7-179.4-174.50106.6T74 Y351T74-K76 PolarHBondContact O-N 3.38Å; K76-Y351 HydrophobicContact CD-CE1 4.07Å; K76-Y351 WeakPolarHBondContact CD-OH 3.5Å; K76-Y351 WeakPolarHBondContact CE-OH 3.24Å; K76-Y351 HydrophobicContact CG-CE1 3.69Å; K76-Y351 VanDerWaalsContact CG-OH 3.3Å; K76-Y351 WeakPolarHBondContact CG-OH 3.33Å
77P71.1Confident54.7Low19 Ų19111.2 Ų111.212%0.12365%0.653CS.*PPolyproline II helixtrans-63145.4-16526.7-35.9000109.9S79 Y307 N350 Y351P77-S79 PolarHBondContact O-N 2.89Å; P77-S79 VanDerWaalsContact O-N 3.16Å; P77-Y307 HydrophobicContact CB-CE2 4.39Å; P77-Y307 HydrophobicContact CG-CD2 3.55Å; P77-Y307 HydrophobicContact CG-CE2 3.52Å; P77-Y307 HydrophobicContact CG-CG 4.49Å; P77-N350 WeakPolarHBondContact CG-O 3.49Å; P77-Y351 HydrophobicContact CG-CD2 4.05Å; P77-Y351 HydrophobicContact CG-CE1 4.32Å; P77-Y351 HydrophobicContact CG-CE2 3.8Å; P77-Y351 HydrophobicContact CG-CG 4.43Å; P77-Y351 PolarHBondContact O-OH 2.95Å
78P74.6Confident54.9Low111 Ų111111.3 Ų111.372%0.72165%0.653SS**PPolyproline II helixtrans-56.9124.4-170.523.2-33.9000109.8N350P78-N350 PolarHBondContact O-ND2 3.31Å
79S75.4Confident54.6Low88 Ų88109.6 Ų109.662%0.61566%0.656SS**PPolyproline II helixtrans-54.7134.9-177.3-560000110.4P77P77-S79 PolarHBondContact O-N 2.89Å; P77-S79 VanDerWaalsContact O-N 3.16Å
80P72.3Confident54.7Low17 Ų17105.1 Ų105.111%0.1166%0.658CS.*PPolyproline II helixtrans-63152.2178.325.5-30.4000110.1M82 W335 P348 N350P80-M82 PolarHBondContact O-N 2.88Å; P80-M82 VanDerWaalsContact O-N 3.14Å; P80-W335 HydrophobicContact CG-CD2 4.42Å; P80-W335 HydrophobicContact CG-CZ2 4.37Å; P80-P348 HydrophobicContact CG-CB 3.37Å; P80-N350 WeakPolarHBondContact CD-OD1 3.47Å
81P69.4Low54.7Low95 Ų95104.7 Ų104.762%0.61766%0.661SS**PPolyproline II helixtrans-59.1121.5-179.126.2-34.2000109.8S83 D333 W335P81-S83 PolarHBondContact O-N 2.96Å; P81-D333 WeakPolarHBondContact CD-O 3.44Å; P81-W335 PolarHBondContact O-NE1 3.36Å
82M69.6Low54.3Low99 Ų99104.6 Ų104.649%0.48868%0.676SS.*PPolyproline II helixtrans-66.7131.4167.7-75.5-170.7161.500109.1P80 G84 E316 W335P80-M82 PolarHBondContact O-N 2.88Å; P80-M82 VanDerWaalsContact O-N 3.14Å; M82-G84 PolarHBondContact O-N 3.35Å; M82-E316 VanDerWaalsContact CE-OE1 3.29Å; M82-E316 WeakPolarHBondContact CE-OE1 3Å; M82-W335 HydrophobicContact CE-CH2 3.79Å; M82-W335 HydrophobicContact CE-CZ2 3.73Å; M82-W335 HydrophobicContact CG-CZ2 3.76Å
83S59.7Low54.2Low91 Ų91105.3 Ų105.364%0.63668%0.683SS**  trans-64.179.7172.7-80.20000112P81 K85 D333P81-S83 PolarHBondContact O-N 2.96Å; S83-K85 PolarHBondContact O-N 2.82Å; S83-D333 WeakPolarHBondContact CB-OD2 3.29Å; S83-D333 WeakPolarHBondContact OG-CB 3.31Å; S83-D333 PolarHBondContact OG-OD2 2.94Å
84G54.8Low54.3Low71 Ų71105.4 Ų105.473%0.73269%0.686SS**  trans-67.492.9-179.200000112.2M82 G86M82-G84 PolarHBondContact O-N 3.35Å; G84-G86 PolarHBondContact O-N 2.83Å; G84-G86 VanDerWaalsContact O-N 3.13Å
85K49.8Very low53.6Low205 Ų205103.7 Ų103.789%0.89169%0.692SS**PPolyproline II helixtrans-55.2116.2172.3-164.9166-176.2171.20109.2S83S83-K85 PolarHBondContact O-N 2.82Å
86G46.1Very low52.3Low75 Ų7599.3 Ų99.377%0.77369%0.691SS**PPolyproline II helixtrans-59.1130.3-15000000116.8G84G84-G86 PolarHBondContact O-N 2.83Å; G84-G86 VanDerWaalsContact O-N 3.13Å
87T41Very low51Low139 Ų13999.5 Ų99.585%0.85371%0.707SS**PPolyproline II helixtrans-82.9122.2172.3-49.60000110.6G89T87-G89 PolarHBondContact O-N 3.05Å
88L44.2Very low49.3Very low167 Ų167107.3 Ų107.387%0.87474%0.742SS**PPolyproline II helixtrans-59.3131.6168.1-78.7159.8000110.3
89G40.2Very low48.7Very low80 Ų80107.7 Ų107.783%0.82574%0.744SS**PPolyproline II helixtrans-67.6137.9-177.600000113.1T87T87-G89 PolarHBondContact O-N 3.05Å
90S39.8Very low46.7Very low121 Ų121109 Ų10985%0.84675%0.754SS**  trans-145.2120.8161.9-170.60000109.5
91S39.9Very low45.2Very low126 Ų126113.3 Ų113.388%0.88178%0.784SS**  trans-86124.3-176.2-57.30000111
92G34.2Very low43.7Very low78 Ų78119.5 Ų119.580%0.80480%0.795SS**  trans-131121.5174.500000111.2
93S40.1Very low42.2Very low111 Ų111120.3 Ų120.378%0.77681%0.81SS**  trans-92.6148.2-167.5-54.60000114.5
94S44.1Very low41.2Very low120 Ų120121.6 Ų121.684%0.83982%0.82SS**  trans41.8125.8138.764.20000120.9
95G35.4Very low40.5Very low81 Ų81123.5 Ų123.584%0.83582%0.821SS**  trans-17697.5164.800000114.6
96G32.8Very low40.1Very low74 Ų74123.9 Ų123.976%0.76382%0.817SS**  trans-73.6-178.7-170.900000118.5
97S36.1Very low39.8Very low122 Ų122128 Ų12885%0.85382%0.816SS**  trans103.7138.1147.6-58.10000120.4
98H35.4Very low39.6Very low182 Ų182128.6 Ų128.684%0.84381%0.814SS**  trans-95.6-166-174.3-46.5-111.8000111
99P62.8Low39.6Very low119 Ų119126 Ų12677%0.77381%0.81SS**  -133.2165.3-72.338.7-22.1000114.4
100S32.6Very low39.3Very low116 Ų116125.7 Ų125.781%0.81181%0.807SS**  trans-172153.9162.2-94.80000110.8
101S40.9Very low39.5Very low107 Ų107126 Ų12675%0.74881%0.809SS**  cis-154.5175.1-1.3-121.20000112.9
102R38.6Very low39.2Very low226 Ų226123.7 Ų123.785%0.85381%0.806SS**  trans-43.9134.1178.7-62.3148.279.5-174.97.6113.3
103S37.3Very low39.9Very low115 Ų115126.1 Ų126.180%0.80481%0.81SS**  73.1105.762.9-53.20000116.3
104S39Very low39.9Very low119 Ų119128 Ų12883%0.83282%0.816SS**  trans-173.7141.7142.250.20000114
105S41Very low39.6Very low110 Ų110125.7 Ų125.777%0.76981%0.812SS**  trans55.4138148-119.60000120.9
106R41.3Very low40Very low213 Ų213128.4 Ų128.480%0.80481%0.812SS**  cis57.2128.340.8-67.4-168-178.3-160.12.6113.3
107E38.8Very low40.7Very low161 Ų161130.6 Ų130.675%0.75281%0.813SS**  cis-171.6-174.97.548.6-167.655.300110.3
108N36.5Very low41Very low153 Ų153132.5 Ų132.582%0.81881%0.812SS**  trans89141.9162.6-159.532.7000120
109S43.7Very low41.1Very low111 Ų111128.4 Ų128.478%0.77681%0.809SS**  trans-93.9167.4-174.4-48.50000112.8
110G35.1Very low40.1Very low75 Ų75128.9 Ų128.977%0.77381%0.81SS**  trans-176.985.7172.100000117
111S42.9Very low41Very low127 Ų127128.9 Ų128.989%0.88881%0.807SS**  trans3.9123.8160.5-550000121.9
112G34Very low41.5Very low78 Ų78129.9 Ų129.980%0.80481%0.809SS**  89.5104.9102.200000120.1
113S48.7Very low42.6Very low128 Ų128125.1 Ų125.190%0.89581%0.807SS**  trans-138.1137.6156.7-72.70000109.6
114V39.9Very low43.3Very low150 Ų150124.8 Ų124.891%0.90981%0.805SS**  trans-91.7133.9179.6176.80000110.4
115G39.8Very low44Very low73 Ų73124.2 Ų124.275%0.75380%0.798SS**  trans-147.4126.7172.400000111.3
116V43.8Very low44.8Very low138 Ų138125.1 Ų125.184%0.83680%0.801SS**PPolyproline II helixtrans-96.8167.6175.7-108.90000110
117P46.3Very low45.1Very low120 Ų120119.7 Ų119.778%0.77980%0.796SS**PPolyproline II helixtrans-91148.1-132.535.4-37.5000114.6
118I42.3Very low45.3Very low162 Ų162118 Ų11883%0.83180%0.796SS**PPolyproline II helixtrans-92.9118.3162.7-63.5179.1000108
119A37.8Very low45.6Very low95 Ų95119.9 Ų119.979%0.78580%0.798SS**PPolyproline II helixtrans-73.3138.3176.400000111.2
120V42.8Very low46.2Very low129 Ų129120.3 Ų120.378%0.78280%0.798SS**PPolyproline II helixtrans-103.8128170.5-177.60000108
121P51Low46.3Very low117 Ų117121 Ų12176%0.7680%0.796SS**PPolyproline II helixtrans-73.7139.3-175.428.9-34.6000112.4
122T50.7Low46.9Very low127 Ų127120.7 Ų120.778%0.77979%0.792SS**PPolyproline II helixtrans-74.4127172.447.60000111.6
123P61.2Low47Very low127 Ų127122.1 Ų122.183%0.82580%0.796SS**PPolyproline II helixtrans-76.9129.5163.430.8-31.4000110.6
124S54Low46.3Very low108 Ų108119.8 Ų119.876%0.75579%0.792SS**PPolyproline II helixtrans-82153.9178-61.40000112.6
125P51.9Low46.2Very low106 Ų106118.5 Ų118.569%0.68879%0.789SS**PPolyproline II helixtrans-77.9153.2179.932.4-36.2000113.1
126P58.7Low46.1Very low129 Ų129120.2 Ų120.284%0.83880%0.797SS**PPolyproline II helixtrans-67.7155.6162.231.3-34.1000111
127S48.3Very low45.7Very low100 Ų100117.3 Ų117.370%0.69980%0.795SS**  trans-147.5179.3-177.4-70.60000110.8
128V41.3Very low45.4Very low124 Ų124118.3 Ų118.375%0.75280%0.799SS**  trans82.3105.8176.3-168.70000112.7
129F44.4Very low46.2Very low193 Ų193116.2 Ų116.285%0.84680%0.796SS**  71.8154.162.7-69.8-60.1000114.2
130P55.8Low47.2Very low121 Ų121117.3 Ų117.379%0.78680%0.795SS**  cis-132.4-166.6-35.138.4-20000113
131A37.1Very low47.3Very low89 Ų89118.9 Ų118.974%0.73680%0.798SS**  trans-79.4-178.4172.600000112.4
132P54.4Low47.4Very low121 Ų121119.1 Ų119.179%0.78680%0.799SS**  cis-154.9-178.544.244.9-22.8000120.2
133A36.5Very low46.7Very low108 Ų108116.9 Ų116.989%0.89379%0.794SS**  trans69.8142.5146.700000123.3
134G33.9Very low45.6Very low79 Ų79117.1 Ų117.181%0.81479%0.793SS**  trans163127.7166.900000114.4
135S38.5Very low44.8Very low122 Ų122117.7 Ų117.785%0.85380%0.797SS**  trans-101.3157.7-163.9-53.30000117.6
136A38Very low44.2Very low110 Ų110117 Ų11791%0.90980%0.801SS**  trans75139.3142.900000121.8
137G34.4Very low43.2Very low77 Ų77116.7 Ų116.779%0.79480%0.802SS**  trans171.5108.7168.300000115.1
138T40.4Very low43Very low140 Ų140118.3 Ų118.386%0.85981%0.807SS**  trans-127.4173.1165.553.50000108.2
139P58.9Low43.5Very low119 Ų119118.3 Ų118.377%0.77381%0.809SS**  cis-119.9-139.5-14.836.9-15.1000108.6
140P60Low43.5Very low117 Ų117115.2 Ų115.276%0.7681%0.806SS**  cis-134.1-176.8-16.342-23.5000116.5
141L43.3Very low43.1Very low163 Ų163115.5 Ų115.585%0.85381%0.808SS**  trans-79.8163.3162.6-66.4165.5000111.4
142P53.4Low43.3Very low121 Ų121119.6 Ų119.679%0.78682%0.817SS**  -155.8156.695.740.8-22.2000119.1
143A37Very low43.1Very low81 Ų81120.1 Ų120.167%0.66982%0.818SS**  trans72.9111.9133.600000125.1
144T37.3Very low43.6Very low131 Ų131121.2 Ų121.280%0.80482%0.815SS**  84.2141.9120.759.50000124.9
145S37.2Very low43.7Very low120 Ų120122.4 Ų122.484%0.83982%0.817SS**  trans98.5110143.9-65.60000120.3
146A39.2Very low43.5Very low93 Ų93122.9 Ų122.977%0.76982%0.816SS**  trans-73.6164.6177.500000115.4
147S37.8Very low43.7Very low122 Ų122123.3 Ų123.385%0.85381%0.807SS**  trans-160146.7140.7-80.60000110.8
148V44.5Very low44.3Very low134 Ų134125.7 Ų125.781%0.81281%0.808SS**  trans-111.6143.1-178.7177.50000109.9
149P50.4Low44Very low124 Ų124124.4 Ų124.481%0.80581%0.805SS**  trans-112.1131.5159.934.9-24.8000112.5
150T45.9Very low43Very low127 Ų127124 Ų12478%0.77980%0.804SS**PPolyproline II helixtrans-85.5158.3170.838.70000112.1
151P47.6Very low41.8Very low127 Ų127124.4 Ų124.483%0.82581%0.805SS**PPolyproline II helixtrans-75.7155.5-175.530.4-36.2000114.1
152L40.7Very low41.5Very low176 Ų176120.6 Ų120.692%0.92180%0.797SS**PPolyproline II helixtrans-91.1146.1179.3-81.4161.4000113
153V50Low41.4Very low132 Ų132121.3 Ų121.380%0.880%0.802SS**PPolyproline II helixtrans-89.5152.6173.6-70.70000112.2
154P46.1Very low41.3Very low130 Ų130124.9 Ų124.984%0.84481%0.81SS**PPolyproline II helixtrans-75.4155.7-177.930.9-35.9000113.6
155A37Very low41.1Very low104 Ų104122.1 Ų122.186%0.8680%0.8SS**PPolyproline II helixtrans-96161.8-169.400000115.4
156T35.2Very low40.9Very low133 Ų133121.3 Ų121.382%0.81680%0.801SS**PPolyproline II helixtrans-78.8154.3-169.6-440000115.1
157V41.4Very low40.6Very low119 Ų119122.1 Ų122.172%0.72181%0.807SS**PPolyproline II helixtrans-61.9158166.9-64.60000114.2
158P46Very low40.3Very low126 Ų126120.4 Ų120.482%0.81881%0.809SS**  trans-115.2155.6147.436.4-28.5000112.4
159S35.8Very low39.5Very low113 Ų113118 Ų11879%0.7981%0.811SS**  trans-125.8179.3177.4-71.20000110.8
160S37Very low38.7Very low110 Ų110116.4 Ų116.477%0.76981%0.809SS**  trans84.9145.6177.3-146.60000114.2
161T34.8Very low38.1Very low127 Ų127119.7 Ų119.778%0.77982%0.815SS**  cis-145.1151.812.5-36.90000111.3
162A37.3Very low37.4Very low82 Ų82118.7 Ų118.768%0.67881%0.811SS**  trans-83.4169.4164.800000111.9
163P51.6Low37.2Very low136 Ų136118.2 Ų118.288%0.88381%0.809SS**  -133.5-165.3116.338.9-29.9000113.2
164D33.6Very low36.5Very low157 Ų157116.1 Ų116.184%0.8481%0.805SS**  trans-129.5165.4-139.8-171.831000116.1
165A34.9Very low35.9Very low72 Ų72118.3 Ų118.360%0.59581%0.81SS**  trans56.5107.9152.600000122.6
166A32.3Very low35.7Very low104 Ų104116.7 Ų116.786%0.8680%0.803SS**  68.6116.4118.100000122.5
167A32.9Very low35.6Very low109 Ų109120.1 Ų120.190%0.90181%0.807SS**  trans-151.3149.6133.200000110
168G31.1Very low35.4Very low86 Ų86119.8 Ų119.889%0.88781%0.806SS**  trans-110.3145.6176.600000112.6
169G28.7Very low34.9Very low83 Ų83119.1 Ų119.186%0.85680%0.804SS**  trans-164.7159.5177.900000110.3
170A33.8Very low35.5Very low92 Ų92119.2 Ų119.276%0.7680%0.802SS**  trans-135.5160.9-164.300000114.7
171Q32.5Very low35.7Very low195 Ų195120.4 Ų120.491%0.91181%0.805SS**  trans71.7159.9173.5-47-170.2-9.100114.4
172S32.5Very low36Very low107 Ų107119.3 Ų119.375%0.74880%0.8SS**  cis-139.91755.6620000112.7
173L36.2Very low36.5Very low165 Ų165121.6 Ų121.686%0.86481%0.808SS**  trans-69.7140.2167.8-71.572.8000110.7
174A35.3Very low35.9Very low88 Ų88121.8 Ų121.873%0.72781%0.806SS**  174.3133.4115.800000110.4
175D34.3Very low35.9Very low177 Ų177122.2 Ų122.295%0.94781%0.807SS**  -178.3155.3127.9-100.8-28.7000110
176G33.5Very low35.9Very low70 Ų70123.5 Ų123.572%0.72281%0.811SS**  trans-148.2143.9177.800000111.6
177F32.6Very low35.9Very low204 Ų204124.1 Ų124.190%0.89581%0.809SS**  trans-140.5155.5167-153.7-99.7000111.8
178T37.2Very low36.3Very low113 Ų113126.5 Ų126.569%0.69381%0.807SS**PPolyproline II helixtrans-90.7153.1-165.938.10000113.8
179S35.5Very low36.7Very low111 Ų111128.1 Ų128.178%0.77680%0.802SS**PPolyproline II helixtrans-83.9140.8173.1-172.90000111.5
180P47.8Very low37.5Very low116 Ų116129.6 Ų129.675%0.75380%0.796SS**PPolyproline II helixtrans-89.4142.7176.634.5-33.5000113.6
181T42.1Very low38Very low134 Ų134132 Ų13282%0.82280%0.802SS**PPolyproline II helixtrans-98.1140.2-177.8-47.50000112.2
182P39.9Very low38.3Very low105 Ų105125.8 Ų125.868%0.68279%0.79SS**PPolyproline II helixtrans-83.1152.9168.733.5-33.6000112.8
183P48.6Very low38.8Very low130 Ų130129.3 Ų129.384%0.84479%0.794SS**PPolyproline II helixtrans-86.6167.8-166.234.8-37.8000115.6
184V38.2Very low39.3Very low139 Ų139126.8 Ų126.884%0.84279%0.787SS**  trans-129.2123.7179.8176.10000112.3
185I33.8Very low39.7Very low167 Ų167129 Ų12986%0.85679%0.791SS**  trans-152.8140.8161.1-62.1-175.5000105.5
186S34.2Very low40.4Very low99 Ų99126.9 Ų126.969%0.69278%0.776SS**  cis167.5122.3-19175.10000105.1
187S33.8Very low40.6Very low117 Ų117133.2 Ų133.282%0.81878%0.784SS**  trans173.815615135.90000112.1
188N41.7Very low41.3Very low159 Ų159132.8 Ų132.885%0.8578%0.778SS**  trans-87.6159.5-168.9-63.1-3.3000114.3
189P38.6Very low41.9Very low119 Ų119132.7 Ų132.777%0.77378%0.782SS**  trans-123.7159.513137.3-31.3000112.8
190P46.4Very low42.8Very low114 Ų114135.7 Ų135.774%0.7479%0.786SS**  trans-96.1154.7-178.337.1-34.9000114.7
191T43.5Very low43.1Very low143 Ų143137.5 Ų137.588%0.87779%0.789SS**  trans48.7113.1150.554.10000120.7
192G38.1Very low43.5Very low64 Ų64142.4 Ų142.466%0.6679%0.792SS**  trans134135140.200000117.3
193H43.1Very low43.7Very low182 Ų182143.3 Ų143.384%0.84380%0.798SS**  trans65.5124.6165.5-53.7-82.5000118.8
194P47.8Very low43.4Very low111 Ų111142.1 Ų142.172%0.72180%0.799SS**  trans-85115.5171.932.7-31.4000111.8
195V43.3Very low43.6Very low134 Ų134141 Ų14181%0.81280%0.797SS**  trans-80.8117.7170.8-178.20000109.4
196Q47.9Very low43.8Very low133 Ų133144.4 Ų144.462%0.62180%0.8SS**  trans-85.1118.5178-71.4-69.9-42.500111Y198Q196-Y198 HydrophobicContact CB-CD2 4.47Å; Q196-Y198 HydrophobicContact CB-CE2 3.95Å; Q196-Y198 PolarHBondContact O-N 3.1Å
197F39.5Very low44.1Very low204 Ų204148 Ų14890%0.89581%0.805SS**  trans-76.6104.9170.5-113.8-93.7000109.9S199F197-S199 PolarHBondContact O-N 2.82Å
198Y45.7Very low44.7Very low195 Ų195148 Ų14877%0.76580%0.8SS**  trans-80.9100.9174.7-73.9-77.2000110.9Q196Q196-Y198 HydrophobicContact CB-CD2 4.47Å; Q196-Y198 HydrophobicContact CB-CE2 3.95Å; Q196-Y198 PolarHBondContact O-N 3.1Å
199S50.2Low44.7Very low110 Ų110145.9 Ų145.977%0.76980%0.795SS**  trans-69.6139.5169-173.60000110.8F197 N201F197-S199 PolarHBondContact O-N 2.82Å; S199-N201 PolarHBondContact O-N 2.86Å
200M53.8Low45Very low175 Ų175146.1 Ų146.186%0.86280%0.797SS**SBendtrans-74.32.3-157.5-141.667.672.300116.2
201N54.8Low44.6Very low154 Ų154147.2 Ų147.282%0.82480%0.801SS**  trans-112.398.4-174.2-77.39.5000112.6S199S199-N201 PolarHBondContact O-N 2.86Å
202R50.3Low44.4Very low237 Ų237148.3 Ų148.389%0.89480%0.8SS**  trans-147.1128.9161.8-148.3175.2-162.1-1413.7111.6
203P43.6Very low44.3Very low124 Ų124148.6 Ų148.681%0.80580%0.803SS**PPolyproline II helixtrans-69.3138.7177.528.2-34.2000111.2
204A43.4Very low44Very low105 Ų105144.1 Ų144.187%0.86881%0.806SS**PPolyproline II helixtrans-75.5132.5-176.200000113
205S43Very low43.7Very low114 Ų114144 Ų14480%0.79781%0.808SS**PPolyproline II helixtrans-74.1125.9169.952.90000111.1H207S205-H207 PolarHBondContact O-N 2.86Å
206R38Very low43.9Very low240 Ų240145.6 Ų145.691%0.90681%0.811SS**PPolyproline II helixtrans-71.3118.3-178.8-174.2175.3-174.9-108.23.9111.9
207H39Very low44.3Very low174 Ų174144.2 Ų144.281%0.80681%0.813SS**PPolyproline II helixtrans-65.5145.9174.8-125.4-80.3000112.3S205S205-H207 PolarHBondContact O-N 2.86Å
208T48.1Very low44Very low117 Ų117146 Ų14672%0.71882%0.816SS**PPolyproline II helixtrans-95.2144.316844.30000111.1
209P41.3Very low43.9Very low114 Ų114147.8 Ų147.874%0.7482%0.821SS**PPolyproline II helixtrans-83.4155.5165.134.9-33.3000111
210P45.1Very low43.4Very low125 Ų125154.2 Ų154.281%0.81283%0.829SS**PPolyproline II helixtrans-77.8146178.631.7-34.8000112.8
211T38Very low42.5Very low136 Ų136151 Ų15183%0.83482%0.821SS**PPolyproline II helixtrans-77.9126.9173.7-59.50000111.2
212I38.7Very low42.3Very low167 Ų167149.1 Ų149.186%0.85682%0.817SS**PPolyproline II helixtrans-98.2123.8158.2-64.1178.4000107.4
213G35.8Very low41.7Very low70 Ų70143.1 Ų143.172%0.72281%0.812SS**PPolyproline II helixtrans-85.3148.4-17600000113.3
214G35.7Very low41.4Very low87 Ų87145.1 Ų145.190%0.89781%0.814SS**  trans-177.178.4177.800000111.7
215S43.5Very low41Very low110 Ų110145.6 Ų145.677%0.76981%0.806SS**  trans-97.6141.4175.749.40000111.4
216L46.4Very low40.7Very low166 Ų166145 Ų14587%0.86980%0.802SS**  -176.2160.3116.6-90.7177.6000109.6
217P56.5Low40.7Very low104 Ų104142.1 Ų142.168%0.67580%0.799SS**  trans-111.8157.2-158.339.9-33.8000115.3
218Y33.5Very low40.5Very low242 Ų242138.4 Ų138.495%0.94979%0.789SS**  trans-138.3144.1154.8-106-86.8000111.7
219R42.1Very low39.7Very low232 Ų232137.6 Ų137.688%0.87579%0.788SS**  trans-86.9151.3-176.3-64.6-179.3180-100.812.5112.7
220R39.9Very low39.6Very low245 Ų245139.1 Ų139.193%0.92579%0.789SS**  -155.9130.7128.5-136.9173.9-160.1157.47.4114
221P35.8Very low39.1Very low107 Ų107141.9 Ų141.970%0.69579%0.791SS**  trans-88175.3165.136.2-33.1000112.2
222P50.8Low39Very low116 Ų116141.9 Ų141.975%0.75379%0.786SS**  trans-115.9178.3-150.543-37.1000118.2
223S38.2Very low38.9Very low111 Ų111142.7 Ų142.778%0.77679%0.786SS**  trans85.9165.8152.9-58.20000120.4
224I35.4Very low38.9Very low166 Ų166146.8 Ų146.885%0.85179%0.788SS**  trans88140.7-179.1-123.8154.9000114.4
225T35Very low38.7Very low114 Ų114150.2 Ų150.270%0.69979%0.786SS**  cis-177173.2-23.6-96.40000109.1
226S37Very low38.2Very low103 Ų103148.5 Ų148.572%0.7279%0.786SS**  trans70.3150.8162.647.20000118.5
227Q37.9Very low37.8Very low179 Ų179144.2 Ų144.284%0.83678%0.782SS**  cis-169.2176.3-11.4-105.7-160.734.200106.6
228T36.3Very low37.8Very low96 Ų96144.5 Ų144.559%0.58978%0.783SS**  cis-167.3133.8-11.8-96.70000106.4
229S31.5Very low37.8Very low100 Ų100141.5 Ų141.570%0.69978%0.776SS**  177.5125.7102.8-113.50000108.8
230L39Very low37.5Very low145 Ų145140 Ų14076%0.75977%0.771SS**  70.1106.680.4-68178.4000116.2
231Q33.6Very low37.4Very low183 Ų183134.6 Ų134.686%0.85576%0.761SS**  -162.9145.1114.2-165.563.5-12.300111.4
232N36.9Very low37.5Very low136 Ų136137.9 Ų137.973%0.72777%0.767SS**  trans-91.9160.6178-70.4-20.4000112.7
233Q36.1Very low36.8Very low185 Ų185138.9 Ų138.986%0.86477%0.766SS**  -166.9168.6114.3-98.3-50-17.100113.3
234M36.2Very low37.2Very low156 Ų156139 Ų13977%0.76877%0.765SS**  trans-108.1176.1-170.2-156.781.484.300113.3
235N32Very low37.3Very low158 Ų158137.8 Ų137.885%0.84576%0.764SS**  trans73.1156.9173.2-58.94.6000114.5
236G32.8Very low37.7Very low74 Ų74137.5 Ų137.576%0.76377%0.767SS**  cis154.8126.8-3.900000109.3
237G37.1Very low38.4Very low77 Ų77140 Ų14079%0.79477%0.772SS**  trans-89-169.9-176.800000114.1
238P56.3Low38.9Very low109 Ų109137.5 Ų137.571%0.70877%0.77SS**  cis-131.4-171.2-324.50.5000114.3
239F33.3Very low40Very low179 Ų179138 Ų13879%0.78578%0.775SS**  trans100.3137157.1-69.9-72.8000123
240Y35.4Very low41.5Very low200 Ų200138.8 Ų138.878%0.78478%0.777SS**  trans72.4129.8151.6-85.2-68.8000124.8
241N39.7Very low42.4Very low133 Ų133137.6 Ų137.671%0.71178%0.778SS**  trans-35.9146.1176.6-52.3-8000118.9
242Q36.9Very low44Very low176 Ų176134.3 Ų134.382%0.82277%0.773SS**  trans-139.6152.9130.9-84.4-57.1-13.200112.4
243N35.5Very low45.4Very low136 Ų136132.9 Ų132.973%0.72777%0.771SS**  trans-43.9175.8177.6-84.718.2000118.8
244P47.6Very low46.2Very low115 Ų115130 Ų13075%0.74777%0.768SS**  cis-124.4166.78.440.3-26.3000116.5
245V37.1Very low47.1Very low139 Ų139128.6 Ų128.684%0.84277%0.768SS**PPolyproline II helixtrans-95.1133.5169.6-167.80000108.9
246S43.8Very low48.2Very low109 Ų109130.3 Ų130.376%0.76277%0.771SS**PPolyproline II helixtrans-83.7150172.6-680000112.1
247D52.3Low49Very low154 Ų154134.5 Ų134.582%0.82477%0.771SS**PPolyproline II helixtrans-47.7131.5-178.9-132.8-73.2000115
248T48.3Very low49.7Very low128 Ų128135.6 Ų135.679%0.78576%0.764SS**  trans-172133.1147.47.40000110
249P58.7Low49.5Very low107 Ų107137.4 Ų137.470%0.69577%0.772SS**PPolyproline II helixtrans-75.8152.8176.131.3-35000111.9
250P63.1Low50Low115 Ų115138.3 Ų138.375%0.74778%0.776SS**PPolyproline II helixtrans-68.7153.1173.730.4-35.3000111.6
251P58.3Low50.7Low120 Ų120134.9 Ų134.978%0.77977%0.772SS**PPolyproline II helixtrans-67.1151.6175.429.6-35.4000111.7
252P66.3Low51.4Low115 Ų115137.3 Ų137.375%0.74778%0.779SS**PPolyproline II helixtrans-68155.4175.930-35.5000111.9
253P66.6Low52Low106 Ų106134 Ų13469%0.68878%0.775SS**PPolyproline II helixtrans-65.4157.2170.430.5-35.6000111.3V255P253-V255 PolarHBondContact O-N 3.05Å
254P53.6Low53.2Low125 Ų125132.6 Ų132.681%0.81277%0.773SS**PPolyproline II helixtrans-63.6134.8173.828.4-34.5000110.3
255V54.8Low53.8Low125 Ų125132.4 Ų132.476%0.75877%0.772SS**PPolyproline II helixtrans-87.6118.4172.5178.80000108.2P253 E257P253-V255 PolarHBondContact O-N 3.05Å; V255-E257 HydrophobicContact CG1-CB 4.19Å; V255-E257 HydrophobicContact CG1-CG 3.88Å
256E54.9Low54.8Low194 Ų194131.3 Ų131.391%0.90777%0.768SS**  trans-78.4114.4162.6-66.9-176132.800108.6
257E50.3Low55.7Low162 Ų162131.5 Ų131.576%0.75777%0.766SS**  trans-148.4157.4174.1-96.7-80.6111.200106.8V255V255-E257 HydrophobicContact CG1-CB 4.19Å; V255-E257 HydrophobicContact CG1-CG 3.88Å
258P51.1Low56.2Low100 Ų100129.4 Ų129.465%0.64976%0.761SS**  -99.1175.1-121.3-10.830.3000116.8F260P258-F260 PolarHBondContact O-N 3.25Å
259V51.5Low56.7Low147 Ų147128.4 Ų128.489%0.89176%0.757SS**  trans-33.9117.8166.7-175.50000112.5
260F43.5Very low56.6Low198 Ų198128.4 Ų128.487%0.86876%0.757SS**  trans-134.7104.5163.7-158-87.7000111.3P258P258-F260 PolarHBondContact O-N 3.25Å
261D50.5Low56Low128 Ų128131.4 Ų131.468%0.68476%0.761SS**  trans39.2119.6163.8-130.435.1000120.1S263D261-S263 PolarHBondContact O-N 2.68Å
262E54.2Low55Low185 Ų185132.3 Ų132.386%0.86476%0.759SS**  trans-64.9113.4167.2-179.3154.692.100109
263S50.6Low54.1Low105 Ų105137.1 Ų137.173%0.73476%0.764SS**PPolyproline II helixtrans-57125.5176.7-66.50000109.1D261D261-S263 PolarHBondContact O-N 2.68Å
264P59.7Low52.6Low107 Ų107139.8 Ų139.870%0.69577%0.767SS**PPolyproline II helixtrans-59.1149.1-176.123.7-33.7000110.3
265P61.3Low52.3Low111 Ų111143.4 Ų143.472%0.72177%0.773SS**PPolyproline II helixtrans-54.8149176.324.8-34.4000110
266P57.4Low51.6Low116 Ų116145.4 Ų145.475%0.75377%0.774SS**PPolyproline II helixtrans-53.8142177.724.7-34.5000109.5
267P63.1Low51.2Low113 Ų113145 Ų14573%0.73477%0.772SS**PPolyproline II helixtrans-56.4147-178.224.8-34.4000110.1
268P63.1Low50.9Low110 Ų110141.2 Ų141.271%0.71477%0.769SS**PPolyproline II helixtrans-55.8151.2171.326.8-34.6000109.6
269P58.8Low50.3Low108 Ų108141.1 Ų141.170%0.70178%0.777SS**PPolyproline II helixtrans-55.3142.8168.727.5-34.6000108.8E271P269-E271 PolarHBondContact O-N 3.46Å
270P56.8Low50.1Low106 Ų106139.6 Ų139.669%0.68877%0.768SS**PPolyproline II helixtrans-59.5127.3179.924.7-33.3000109.9D272P270-D272 PolarHBondContact O-N 2.97Å
271E49.7Very low50.4Low179 Ų179135.5 Ų135.584%0.83676%0.759SS**  trans-77.750.8171.2-67.5-172.813100110.8P269 Y273P269-E271 PolarHBondContact O-N 3.46Å; E271-Y273 PolarHBondContact O-N 2.91Å
272D36.4Very low50.3Low138 Ų138137.3 Ų137.374%0.73876%0.763SS**  trans-77.561.7166-69-35000109P270 E274P270-D272 PolarHBondContact O-N 2.97Å; D272-E274 PolarHBondContact O-N 3.14Å
273Y47.3Very low49.8Very low217 Ų217137.7 Ų137.785%0.85176%0.758SS**  trans-82.259.5161.4-85.8-80.1000109.2E271 E275E271-Y273 PolarHBondContact O-N 2.91Å; Y273-E275 PolarHBondContact O-N 3.36Å
274E35.5Very low49.6Very low161 Ų161137.4 Ų137.475%0.75276%0.755SS**  trans-82.7106.1160-69.7-157.4138.700108.5D272 E276D272-E274 PolarHBondContact O-N 3.14Å; E274-E276 PolarHBondContact O-N 3.41Å
275E47.3Very low49.2Very low201 Ų201135.5 Ų135.594%0.93974%0.74SS**  trans-73.359.8173.3-168.9-178.7166.800110Y273Y273-E275 PolarHBondContact O-N 3.36Å
276E40.1Very low49Very low168 Ų168135.7 Ų135.779%0.78574%0.741SS**  trans-79.8134.1171-72.9-142.112100111.1E274E274-E276 PolarHBondContact O-N 3.41Å
277E46.4Very low48.8Very low184 Ų184140.2 Ų140.286%0.8674%0.744SS**SBendtrans-65.1168.8177.2-65.5-169.3106.100112.5A279E277-A279 PolarHBondContact O-N 2.63Å
278A44.4Very low48.3Very low83 Ų83136.6 Ų136.669%0.68672%0.724SS**  trans60.249.5157.400000115.9V280A278-V280 HydrophobicContact CB-CG2 4.47Å; A278-V280 PolarHBondContact O-N 3.45Å
279A39.5Very low47.7Very low98 Ų98139.5 Ų139.581%0.8173%0.728SS**  trans-64.652.8144.700000111.5E277 V281E277-A279 PolarHBondContact O-N 2.63Å; A279-V281 PolarHBondContact O-N 3.12Å
280V45.7Very low47.8Very low116 Ų116143.3 Ų143.370%0.70374%0.737SS**  trans-62.798.3154.21760000104.5A278 E282A278-V280 HydrophobicContact CB-CG2 4.47Å; A278-V280 PolarHBondContact O-N 3.45Å; V280-E282 PolarHBondContact O-N 3.09Å
281V49.8Very low48.3Very low112 Ų112140.6 Ų140.668%0.67972%0.716SS**  trans-62.699.1166179.20000105.2A279 Y283A279-V281 PolarHBondContact O-N 3.12Å; V281-Y283 HydrophobicContact CG1-CD2 3.98Å; V281-Y283 PolarHBondContact O-N 3.01Å
282E50.3Low49.7Very low166 Ų166134 Ų13478%0.77669%0.689SS**  trans-64.587.9175.4-172.6170.8-176.500107.1V280 S284V280-E282 PolarHBondContact O-N 3.09Å; E282-S284 PolarHBondContact O-N 3.09Å; E282-S284 PolarHBondContact O-OG 3.37Å
283Y42.3Very low51.6Low193 Ų193134.4 Ų134.476%0.75770%0.699SS**  trans-76.579.7-176.3-140.3-84.5000106.7V281 D285V281-Y283 HydrophobicContact CG1-CD2 3.98Å; V281-Y283 PolarHBondContact O-N 3.01Å; Y283-D285 PolarHBondContact O-N 3.43Å
284S47.5Very low53.1Low98 Ų98128 Ų12869%0.68567%0.673SS**  trans-65.673.7175.6-49.50000109.7E282 P286E282-S284 PolarHBondContact O-N 3.09Å; E282-S284 PolarHBondContact O-OG 3.37Å; S284-P286 WeakPolarHBondContact O-CD 3.42Å
285D51.1Low55.4Low68 Ų68121.2 Ų121.236%0.36465%0.645SS.*  trans-56.3121.9169177.8-1.1000107.7Y283 Y287 A288Y283-D285 PolarHBondContact O-N 3.43Å; D285-Y287 PolarHBondContact O-N 2.86Å; D285-Y287 WeakPolarHBondContact OD1-CB 3.33Å; D285-Y287 PolarHBondContact OD1-N 2.83Å; D285-A288 HydrophobicContact CB-CB 4.19Å; D285-A288 WeakPolarHBondContact O-CB 3.38Å; D285-A288 PolarHBondContact O-N 2.58Å
286P57Low57.2Low115 Ų115112.9 Ų112.975%0.74761%0.608SS**THydrogen-bonded Turntrans-64.5-2177.427.4-35.2000113.9S284S284-P286 WeakPolarHBondContact O-CD 3.42Å
287Y52.8Low59.1Low210 Ų210117.2 Ų117.282%0.82462%0.618SS**THydrogen-bonded Turntrans-98.40.2166.7-75.4-85.3000115D285 E289D285-Y287 PolarHBondContact O-N 2.86Å; D285-Y287 WeakPolarHBondContact OD1-CB 3.33Å; D285-Y287 PolarHBondContact OD1-N 2.83Å; Y287-E289 VanDerWaalsContact C-N 3.31Å
288A51.8Low61Low38 Ų38112.1 Ų112.131%0.31461%0.607SS.*  trans-82.9-2.5177.600000114.5D285 E290 D291D285-A288 HydrophobicContact CB-CB 4.19Å; D285-A288 WeakPolarHBondContact O-CB 3.38Å; D285-A288 PolarHBondContact O-N 2.58Å; A288-E290 PolarHBondContact O-N 3.04Å; A288-D291 PolarHBondContact O-N 2.64Å; A288-D291 VanDerWaalsContact O-N 3.14Å
289E50.9Low63Low170 Ų170112.2 Ų112.279%0.79459%0.59SS**THydrogen-bonded Turntrans-60.6115170-70.4-67.8162.300110.1Y287Y287-E289 VanDerWaalsContact C-N 3.31Å
290E60.3Low65.4Low189 Ų189113.2 Ų113.288%0.88358%0.581SS**THydrogen-bonded Turntrans70.142.2-170.4-57.2-166.3-165.900116.9A288A288-E290 PolarHBondContact O-N 3.04Å
291D68.4Low67.5Low48 Ų48109 Ų10926%0.25755%0.554SS.*  trans-56.6133.5146.9-101.6-5.2000110.1A288 Y299 K302 Y326A288-D291 PolarHBondContact O-N 2.64Å; A288-D291 VanDerWaalsContact O-N 3.14Å; D291-Y299 PolarHBondContact OD2-OH 3.35Å; D291-K302 IonicContact OD1-NZ 2.57Å; D291-K302 PolarHBondContact OD1-NZ 2.66Å; D291-K302 IonicContact OD2-NZ 2.93Å; D291-K302 PolarHBondContact OD2-NZ 2.9Å; D291-Y326 PolarHBondContact OD1-OH 2.88Å; D291-Y326 WeakPolarHBondContact OD2-CE1 3.24Å
292P78Confident69.5Low42 Ų42105.8 Ų105.827%0.27353%0.53SS..  trans-60.3151.9-167.8-27.235.3000113.8W294 A295P292-W294 HydrophobicContact CB-CD2 4.13Å; P292-W294 HydrophobicContact CB-CG 4.07Å; P292-W294 HydrophobicContact CB-CZ2 4.33Å; P292-W294 VanDerWaalsContact CB-NE1 3.32Å; P292-W294 HydrophobicContact CG-CZ2 4.12Å; P292-W294 PolarHBondContact O-N 3.11Å; P292-A295 VanDerWaalsContact O-CB 3.22Å; P292-A295 WeakPolarHBondContact O-CB 3.45Å; P292-A295 PolarHBondContact O-N 2.84Å
293P77.1Confident71.5Confident145 Ų14598 Ų9894%0.94249%0.494SS*.THydrogen-bonded Turntrans-66.1-4.1-179.428.1-36.8000114.8
294W79.3Confident74Confident82 Ų8290.7 Ų90.731%0.31147%0.47SS..THydrogen-bonded Turntrans-93.8-12.9170.162.2-107.6000113.7P292 Y326 V339 N341 G342P292-W294 HydrophobicContact CB-CD2 4.13Å; P292-W294 HydrophobicContact CB-CG 4.07Å; P292-W294 HydrophobicContact CB-CZ2 4.33Å; P292-W294 VanDerWaalsContact CB-NE1 3.32Å; P292-W294 HydrophobicContact CG-CZ2 4.12Å; P292-W294 PolarHBondContact O-N 3.11Å; W294-Y326 HydrophobicContact CH2-CD2 4.06Å; W294-Y326 AromaticContact CH2-CE2 3.61Å; W294-Y326 HydrophobicContact CH2-CE2 3.61Å; W294-Y326 AromaticContact CZ3-CD2 3.67Å; W294-Y326 HydrophobicContact CZ3-CD2 3.67Å; W294-Y326 AromaticContact CZ3-CE2 3.61Å; W294-Y326 HydrophobicContact CZ3-CE2 3.61Å; W294-V339 HydrophobicContact CE3-CG1 4Å; W294-V339 HydrophobicContact CZ3-CG1 4.2Å; W294-N341 VanDerWaalsContact CE3-N 3.34Å; W294-N341 WeakPolarHBondContact CZ2-OD1 3.44Å; W294-G342 VanDerWaalsContact CE3-N 3.32Å
295A83.7Confident76.2Confident20 Ų2086.1 Ų86.117%0.16544%0.438CS..SBendtrans-67.1140178.800000110.1P292 Y326P292-A295 VanDerWaalsContact O-CB 3.22Å; P292-A295 WeakPolarHBondContact O-CB 3.45Å; P292-A295 PolarHBondContact O-N 2.84Å; A295-Y326 HydrophobicContact CB-CD2 4.26Å; A295-Y326 HydrophobicContact CB-CE1 4.18Å; A295-Y326 HydrophobicContact CB-CE2 3.9Å
296P85.3Confident78.2Confident25 Ų2585.5 Ų85.516%0.16243%0.434CS..  trans-68.3137.8176.829.9-34.3000109.9A298 Y299 Y326 I328 V339P296-A298 PolarHBondContact O-N 3.12Å; P296-Y299 HydrophobicContact CG-CD1 4.45Å; P296-Y299 WeakPolarHBondContact O-CD1 3.16Å; P296-Y326 HydrophobicContact CG-CG 4.29Å; P296-I328 HydrophobicContact CB-CD1 3.94Å; P296-I328 HydrophobicContact CB-CG1 4.32Å; P296-I328 HydrophobicContact CG-CD1 4.13Å; P296-I328 HydrophobicContact CG-CG1 4.13Å; P296-V339 HydrophobicContact CG-CB 4.27Å; P296-V339 HydrophobicContact CG-CG2 4.27Å
297R80.1Confident79.9Confident260 Ų26084.5 Ų84.598%0.98142%0.416SS*.SBendtrans-66.9-16.4177.8-63.9-176.8-174.4162.80.8114.1
298A84.6Confident81.8Confident76 Ų7678.8 Ų78.863%0.62840%0.4SS*.  trans-131.4124175.500000108.4P296P296-A298 PolarHBondContact O-N 3.12Å
299Y87.5Confident83.9Confident86 Ų8677.3 Ų77.334%0.33739%0.386SS..  trans-145.1150.5174.455.3-95.8000109.2D291 P296 K302 Y326 V327D291-Y299 PolarHBondContact OD2-OH 3.35Å; P296-Y299 HydrophobicContact CG-CD1 4.45Å; P296-Y299 WeakPolarHBondContact O-CD1 3.16Å; Y299-K302 HydrophobicContact CE2-CB 4.24Å; Y299-Y326 AromaticContact CD1-CD1 3.64Å; Y299-Y326 HydrophobicContact CD1-CD1 3.64Å; Y299-Y326 HydrophobicContact CD1-CE1 4.43Å; Y299-Y326 HydrophobicContact CD1-CG 4.45Å; Y299-Y326 HydrophobicContact CD2-CD1 4.26Å; Y299-Y326 AromaticContact CE1-CD1 3.58Å; Y299-Y326 HydrophobicContact CE1-CD1 3.58Å; Y299-Y326 AromaticContact CE1-CE1 3.93Å; Y299-Y326 HydrophobicContact CE1-CE1 3.93Å; Y299-Y326 HydrophobicContact CE2-CD1 4.22Å; Y299-Y326 AromaticContact CG-CD1 3.98Å; Y299-Y326 HydrophobicContact CG-CD1 3.98Å; Y299-Y326 AromaticContact CZ-CD1 3.87Å; Y299-V327 CarbonylContact C-O 3.45Å; Y299-V327 WeakPolarHBondContact CA-O 3.47Å; Y299-V327 WeakPolarHBondContact CB-O 3.31Å
300L89.8Confident86Confident119 Ų11974.1 Ų74.162%0.62338%0.378SS*.SBendtrans-73.5-39.8174.5-68.8171.2000111.7V327 I328 K330L300-V327 HydrophobicContact CB-CG1 4.49Å; L300-V327 PolarHBondContact N-O 2.78Å; L300-I328 WeakPolarHBondContact CD1-O 3.42Å; L300-K330 HydrophobicContact CD1-CG 4.4Å
301E90.4Very high87.4Confident28 Ų2869.2 Ų69.213%0.13135%0.354CS..EExtended strand (participates in β ladder)trans-160.5148-173.4-169.7169.1-147.400112.2V303 V327 K330 S354 M356E301-V303 HydrophobicContact CB-CG1 4.4Å; E301-V303 HydrophobicContact CG-CG1 3.92Å; E301-V327 HydrophobicContact CB-CB 4.37Å; E301-V327 WeakPolarHBondContact O-CB 3.29Å; E301-V327 PolarHBondContact O-N 2.97Å; E301-K330 WeakPolarHBondContact OE2-CE 3.32Å; E301-K330 IonicContact OE2-NZ 2.9Å; E301-K330 PolarHBondContact OE2-NZ 2.9Å; E301-S354 VanDerWaalsContact CD-OG 3.31Å; E301-S354 WeakPolarHBondContact OE1-CB 3.38Å; E301-S354 PolarHBondContact OE1-OG 3.41Å; E301-M356 HydrophobicContact CG-CG 3.94Å
302K90.7Very high88.5Confident43 Ų4373.3 Ų73.319%0.18738%0.376CS..EExtended strand (participates in β ladder)trans-95.5124.5169.8-152.2172.4-173.5155.90108.4D291 Y299 I324 Y326 I355D291-K302 IonicContact OD1-NZ 2.57Å; D291-K302 PolarHBondContact OD1-NZ 2.66Å; D291-K302 IonicContact OD2-NZ 2.93Å; D291-K302 PolarHBondContact OD2-NZ 2.9Å; Y299-K302 HydrophobicContact CE2-CB 4.24Å; K302-I324 HydrophobicContact CG-CG2 4.12Å; K302-Y326 HydrophobicContact CD-CE1 3.92Å; K302-Y326 VanDerWaalsContact CE-OH 3.26Å; K302-Y326 WeakPolarHBondContact CE-OH 3.06Å; K302-Y326 HydrophobicContact CG-CD1 4.14Å; K302-Y326 HydrophobicContact CG-CE1 3.9Å; K302-Y326 PolarHBondContact NZ-OH 3.37Å; K302-I355 HydrophobicContact CB-CB 4.46Å; K302-I355 HydrophobicContact CB-CD1 4.35Å; K302-I355 HydrophobicContact CG-CD1 3.98Å; K302-I355 WeakPolarHBondContact O-CB 3.34Å; K302-I355 PolarHBondContact O-N 3.21Å
303V93.7Very high89.1Confident2 Ų275.5 Ų75.51%0.01238%0.381CS..EExtended strand (participates in β ladder)trans-128149.6-175.9-56.60000111.9E301 I325 V327 F347 V352 E353E301-V303 HydrophobicContact CB-CG1 4.4Å; E301-V303 HydrophobicContact CG-CG1 3.92Å; V303-I325 HydrophobicContact CG2-CB 3.92Å; V303-I325 WeakPolarHBondContact CG2-O 3.34Å; V303-I325 PolarHBondContact N-O 3.27Å; V303-I325 PolarHBondContact O-N 3.27Å; V303-V327 HydrophobicContact CB-CG2 4.37Å; V303-V327 HydrophobicContact CG1-CG2 3.67Å; V303-V327 HydrophobicContact CG2-CG2 3.73Å; V303-F347 HydrophobicContact CG2-CE2 4.44Å; V303-F347 HydrophobicContact CG2-CZ 4.28Å; V303-V352 HydrophobicContact CB-CB 3.93Å; V303-V352 HydrophobicContact CB-CG2 4.03Å; V303-V352 HydrophobicContact CG1-CG2 4.37Å; V303-V352 HydrophobicContact CG2-CB 3.79Å; V303-V352 HydrophobicContact CG2-CG1 3.94Å; V303-V352 HydrophobicContact CG2-CG2 3.87Å; V303-E353 CarbonylContact C-O 3.57Å; V303-E353 VanDerWaalsContact CA-O 3.31Å; V303-E353 WeakPolarHBondContact CA-O 3.45Å; V303-E353 WeakPolarHBondContact CB-O 3.33Å
304V94.3Very high89.8Confident40 Ų4077.1 Ų77.124%0.24238%0.376CS..EExtended strand (participates in β ladder)trans-109.1134175.4610000109.9I306 A323 I324 V352 E353 I355V304-I306 PolarHBondContact O-N 3.31Å; V304-A323 CarbonylContact C-O 3.52Å; V304-A323 WeakPolarHBondContact CA-O 3.26Å; V304-I324 HydrophobicContact CB-CD1 4.19Å; V304-I324 HydrophobicContact CG2-CD1 4.11Å; V304-V352 CarbonylContact O-C 3.53Å; V304-V352 WeakPolarHBondContact O-CA 3.41Å; V304-E353 HydrophobicContact CG1-CB 4.35Å; V304-E353 PolarHBondContact N-O 3.28Å; V304-E353 PolarHBondContact O-N 3.17Å; V304-I355 HydrophobicContact CB-CD1 3.99Å; V304-I355 HydrophobicContact CB-CG1 3.9Å; V304-I355 HydrophobicContact CG1-CG1 4.03Å
305A93.9Very high90.5Very high2 Ų276.5 Ų76.52%0.01738%0.379CS..EExtended strand (participates in β ladder)trans-67.8125.6173.900000111.2F319 Q320 G322 A323 Y351A305-F319 HydrophobicContact CB-CD2 3.39Å; A305-F319 HydrophobicContact CB-CE2 3.54Å; A305-F319 HydrophobicContact CB-CG 4.42Å; A305-Q320 VanDerWaalsContact CB-O 3.24Å; A305-Q320 WeakPolarHBondContact CB-O 3.26Å; A305-G322 PolarHBondContact O-N 2.75Å; A305-A323 HydrophobicContact CB-CB 4.19Å; A305-A323 PolarHBondContact N-O 3.13Å; A305-Y351 WeakPolarHBondContact CA-O 3.37Å
306I93.3Very high91.1Very high56 Ų5675.7 Ų75.729%0.28737%0.372SS..SBendtrans-99.5-3.217655164.9000112.8V304 Y351 E353V304-I306 PolarHBondContact O-N 3.31Å; I306-Y351 WeakPolarHBondContact CG1-O 2.99Å; I306-Y351 PolarHBondContact N-O 2.92Å; I306-E353 HydrophobicContact CG2-CB 3.79Å
307Y92.2Very high91.5Very high94 Ų9474.6 Ų74.637%0.36937%0.365SS..SBendtrans-149.8154.7172.3-58.4-72.8000111P77 Y351P77-Y307 HydrophobicContact CB-CE2 4.39Å; P77-Y307 HydrophobicContact CG-CD2 3.55Å; P77-Y307 HydrophobicContact CG-CE2 3.52Å; P77-Y307 HydrophobicContact CG-CG 4.49Å; Y307-Y351 HydrophobicContact CD2-CD1 4.5Å
308D93.2Very high92.3Very high89 Ų8964.5 Ų64.548%0.47633%0.334SS..  trans-60.9136.5166-72-18.8000111.5Q320 E321D308-Q320 WeakPolarHBondContact OD1-CA 3.36Å; D308-Q320 WeakPolarHBondContact OD1-CB 3.47Å; D308-E321 PolarHBondContact OD1-N 2.59Å
309Y94.6Very high92.8Very high8 Ų861.5 Ų61.53%0.03131%0.306CS..BIsolated β-bridgetrans-132.9122.8171-179.2-114.5000111.2E316 L317 S318 F319 W335 F347 P348 Y351Y309-E316 PolarHBondContact OH-OE2 2.93Å; Y309-E316 VanDerWaalsContact OH-OE2 3.12Å; Y309-L317 VanDerWaalsContact CD1-O 3.26Å; Y309-L317 WeakPolarHBondContact CD1-O 3.44Å; Y309-S318 CarbonylContact O-C 3.58Å; Y309-S318 VanDerWaalsContact O-CA 3.26Å; Y309-S318 WeakPolarHBondContact O-CA 3.33Å; Y309-F319 HydrophobicContact CD1-CD1 4.43Å; Y309-F319 AromaticContact CD1-CE1 3.84Å; Y309-F319 HydrophobicContact CD1-CE1 3.84Å; Y309-F319 HydrophobicContact CD1-CZ 4.13Å; Y309-F319 HydrophobicContact CG-CE1 4.35Å; Y309-F319 HydrophobicContact CG-CZ 4.21Å; Y309-F319 PolarHBondContact N-O 3.14Å; Y309-F319 PolarHBondContact O-N 3.44Å; Y309-W335 WeakPolarHBondContact OH-CH2 3.16Å; Y309-F347 HydrophobicContact CD1-CB 4.34Å; Y309-F347 HydrophobicContact CE1-CB 4.36Å; Y309-P348 HydrophobicContact CD1-CG 4.32Å; Y309-P348 HydrophobicContact CD2-CG 3.86Å; Y309-P348 VanDerWaalsContact CE1-CD 3.49Å; Y309-P348 HydrophobicContact CE1-CG 4.32Å; Y309-P348 HydrophobicContact CE2-CG 3.89Å; Y309-P348 HydrophobicContact CG-CG 4.12Å; Y309-Y351 HydrophobicContact CD2-CD1 4.49Å; Y309-Y351 HydrophobicContact CD2-CE1 4.46Å
310T94.6Very high93.1Very high102 Ų10264.1 Ų64.163%0.62632%0.322SS*.  trans-101.7131.9171.4-51.40000108
311K91.5Very high93.2Very high86 Ų8665 Ų6537%0.37432%0.323SS..  trans-66.1138.4174.475.4-176.8-162.3166.80113.3K313 E314 E316 S318K311-K313 WeakPolarHBondContact CD-O 3.35Å; K311-K313 WeakPolarHBondContact CE-O 3.38Å; K311-K313 WeakPolarHBondContact CG-O 3.32Å; K311-E314 PolarHBondContact NZ-O 3.16Å; K311-E316 HydrophobicContact CB-CB 3.55Å; K311-E316 HydrophobicContact CD-CB 4.49Å; K311-E316 WeakPolarHBondContact CD-O 3.16Å; K311-E316 PolarHBondContact NZ-O 3.09Å; K311-S318 WeakPolarHBondContact CB-OG 3.5Å; K311-S318 WeakPolarHBondContact CG-OG 3.39Å; K311-S318 PolarHBondContact N-OG 3.4Å
312D89.7Confident93Very high134 Ų13466 Ų6672%0.71734%0.34SS*.SBendtrans-95.1-25.6172.3-66.6-53.2000111E316D312-E316 WeakPolarHBondContact CA-OE2 3.4Å; D312-E316 PolarHBondContact N-OE2 3.22Å
313K92.1Very high93Very high89 Ų8964.9 Ų64.939%0.38734%0.339SS..SBendtrans-118.4175.6177.5-57.6-162.3-95.565.70113.9K311 D315 E316K311-K313 WeakPolarHBondContact CD-O 3.35Å; K311-K313 WeakPolarHBondContact CE-O 3.38Å; K311-K313 WeakPolarHBondContact CG-O 3.32Å; K313-D315 WeakPolarHBondContact CB-OD1 3.33Å; K313-D315 IonicContact NZ-OD1 2.7Å; K313-D315 PolarHBondContact NZ-OD1 3.35Å; K313-D315 IonicContact NZ-OD2 2.83Å; K313-D315 PolarHBondContact NZ-OD2 2.78Å; K313-E316 HydrophobicContact CB-CG 4.3Å; K313-E316 WeakPolarHBondContact CE-OE1 3.2Å; K313-E316 PolarHBondContact N-OE2 2.83Å; K313-E316 IonicContact NZ-OE1 3.37Å; K313-E316 PolarHBondContact NZ-OE1 3.14Å
314E90.9Very high93Very high178 Ų17868.1 Ų68.183%0.83236%0.356SS*.SBendtrans-78.2-33.4-179.865.9-174.9167.600113.4K311 E316K311-E314 PolarHBondContact NZ-O 3.16Å; E314-E316 PolarHBondContact O-N 2.89Å
315D94.1Very high93.1Very high70 Ų7066.2 Ų66.237%0.37434%0.344SS..SBendtrans-72.4-9.7177.553.9-57.2000114.5K313 G345 L346K313-D315 WeakPolarHBondContact CB-OD1 3.33Å; K313-D315 IonicContact NZ-OD1 2.7Å; K313-D315 PolarHBondContact NZ-OD1 3.35Å; K313-D315 IonicContact NZ-OD2 2.83Å; K313-D315 PolarHBondContact NZ-OD2 2.78Å; D315-G345 CarbonylContact O-C 3.46Å; D315-G345 WeakPolarHBondContact O-CA 3.36Å; D315-L346 PolarHBondContact O-N 3.23Å
316E95.6Very high93.1Very high2 Ų266.4 Ų66.41%0.00935%0.345CS..BIsolated β-bridgetrans-93156.4-175.7-76.7164.6-165.900112.8M82 Y309 K311 D312 K313 E314 W335 L346M82-E316 VanDerWaalsContact CE-OE1 3.29Å; M82-E316 WeakPolarHBondContact CE-OE1 3Å; Y309-E316 PolarHBondContact OH-OE2 2.93Å; Y309-E316 VanDerWaalsContact OH-OE2 3.12Å; K311-E316 HydrophobicContact CB-CB 3.55Å; K311-E316 HydrophobicContact CD-CB 4.49Å; K311-E316 WeakPolarHBondContact CD-O 3.16Å; K311-E316 PolarHBondContact NZ-O 3.09Å; D312-E316 WeakPolarHBondContact CA-OE2 3.4Å; D312-E316 PolarHBondContact N-OE2 3.22Å; K313-E316 HydrophobicContact CB-CG 4.3Å; K313-E316 WeakPolarHBondContact CE-OE1 3.2Å; K313-E316 PolarHBondContact N-OE2 2.83Å; K313-E316 IonicContact NZ-OE1 3.37Å; K313-E316 PolarHBondContact NZ-OE1 3.14Å; E314-E316 PolarHBondContact O-N 2.89Å; E316-W335 HydrophobicContact CG-CH2 4.48Å; E316-W335 HydrophobicContact CG-CZ3 3.94Å; E316-L346 CarbonylContact C-O 3.51Å; E316-L346 WeakPolarHBondContact CA-O 3.19Å; E316-L346 HydrophobicContact CG-CB 4.41Å
317L95.5Very high93.2Very high3 Ų363.8 Ų63.82%0.01633%0.331CS..  trans-108.3112.4-177-177.266.8000111Y309 F319 I325 M340 V343 L346 F347Y309-L317 VanDerWaalsContact CD1-O 3.26Å; Y309-L317 WeakPolarHBondContact CD1-O 3.44Å; L317-F319 HydrophobicContact CG-CD1 4.4Å; L317-F319 VanDerWaalsContact O-CD1 3.32Å; L317-F319 WeakPolarHBondContact O-CD1 3.33Å; L317-I325 HydrophobicContact CD2-CD1 4.39Å; L317-I325 HydrophobicContact CD2-CG2 3.87Å; L317-M340 HydrophobicContact CD1-CB 4.46Å; L317-M340 HydrophobicContact CD1-CE 4.47Å; L317-M340 HydrophobicContact CD2-CB 4.11Å; L317-V343 HydrophobicContact CD1-CB 4.1Å; L317-V343 HydrophobicContact CD1-CG1 3.86Å; L317-V343 WeakPolarHBondContact CD1-O 3.3Å; L317-L346 PolarHBondContact N-O 3.19Å; L317-F347 HydrophobicContact CB-CD1 4.45Å; L317-F347 HydrophobicContact CD2-CD1 4.05Å; L317-F347 HydrophobicContact CD2-CE1 4.38Å
318S95.2Very high93.4Very high48 Ų4862.5 Ų62.534%0.33633%0.33SS..  trans-79.6140.5172.2-59.20000112Y309 K311 M340Y309-S318 CarbonylContact O-C 3.58Å; Y309-S318 VanDerWaalsContact O-CA 3.26Å; Y309-S318 WeakPolarHBondContact O-CA 3.33Å; K311-S318 WeakPolarHBondContact CB-OG 3.5Å; K311-S318 WeakPolarHBondContact CG-OG 3.39Å; K311-S318 PolarHBondContact N-OG 3.4Å; S318-M340 WeakPolarHBondContact O-CE 3.48Å
319F95.5Very high93.4Very high12 Ų1263.1 Ų63.15%0.05333%0.328CS..BIsolated β-bridgetrans-155.3171.2175.353-98.1000112.5A305 Y309 L317 A323 I325 M340 F347 V352A305-F319 HydrophobicContact CB-CD2 3.39Å; A305-F319 HydrophobicContact CB-CE2 3.54Å; A305-F319 HydrophobicContact CB-CG 4.42Å; Y309-F319 HydrophobicContact CD1-CD1 4.43Å; Y309-F319 AromaticContact CD1-CE1 3.84Å; Y309-F319 HydrophobicContact CD1-CE1 3.84Å; Y309-F319 HydrophobicContact CD1-CZ 4.13Å; Y309-F319 HydrophobicContact CG-CE1 4.35Å; Y309-F319 HydrophobicContact CG-CZ 4.21Å; Y309-F319 PolarHBondContact N-O 3.14Å; Y309-F319 PolarHBondContact O-N 3.44Å; L317-F319 HydrophobicContact CG-CD1 4.4Å; L317-F319 VanDerWaalsContact O-CD1 3.32Å; L317-F319 WeakPolarHBondContact O-CD1 3.33Å; F319-A323 HydrophobicContact CB-CB 3.98Å; F319-I325 HydrophobicContact CB-CD1 4.42Å; F319-I325 HydrophobicContact CD1-CD1 3.46Å; F319-I325 VanDerWaalsContact CD1-CD1 3.46Å; F319-I325 HydrophobicContact CD2-CD1 4.27Å; F319-I325 HydrophobicContact CE1-CD1 3.6Å; F319-I325 HydrophobicContact CE2-CD1 4.39Å; F319-I325 HydrophobicContact CG-CD1 3.8Å; F319-I325 HydrophobicContact CZ-CD1 4.07Å; F319-M340 HydrophobicContact CB-CE 3.83Å; F319-M340 HydrophobicContact CB-SD 3.69Å; F319-F347 HydrophobicContact CE1-CB 3.59Å; F319-F347 HydrophobicContact CE1-CD2 4.06Å; F319-F347 AromaticContact CE1-CG 3.89Å; F319-F347 HydrophobicContact CE1-CG 3.89Å; F319-F347 HydrophobicContact CZ-CB 4.25Å; F319-F347 HydrophobicContact CZ-CD2 4.22Å; F319-F347 HydrophobicContact CZ-CG 4.48Å; F319-V352 HydrophobicContact CZ-CG1 4.27Å
320Q95.1Very high93.4Very high142 Ų14266.6 Ų66.666%0.66434%0.344SS*.  trans-109.6160.7176.9-59.4-163.1-103.100111.8A305 D308 G322 A323A305-Q320 VanDerWaalsContact CB-O 3.24Å; A305-Q320 WeakPolarHBondContact CB-O 3.26Å; D308-Q320 WeakPolarHBondContact OD1-CA 3.36Å; D308-Q320 WeakPolarHBondContact OD1-CB 3.47Å; Q320-G322 PolarHBondContact O-N 2.96Å; Q320-A323 WeakPolarHBondContact O-CB 3.24Å; Q320-A323 PolarHBondContact O-N 3.47Å
321E90.5Very high93.4Very high137 Ų13763.6 Ų63.664%0.6432%0.324SS*.THydrogen-bonded Turntrans-51.3132.3167.9-171.3-178.4143.800110.8D308D308-E321 PolarHBondContact OD1-N 2.59Å
322G86.4Confident93.3Very high48 Ų4868 Ų6850%0.49535%0.352SS..THydrogen-bonded Turntrans85.3-3.6-174.800000115.9A305 Q320A305-G322 PolarHBondContact O-N 2.75Å; Q320-G322 PolarHBondContact O-N 2.96Å
323A92.1Very high93.2Very high21 Ų2163.4 Ų63.417%0.17433%0.327CS..  trans-68.4142.9176.700000112.8V304 A305 F319 Q320 M340V304-A323 CarbonylContact C-O 3.52Å; V304-A323 WeakPolarHBondContact CA-O 3.26Å; A305-A323 HydrophobicContact CB-CB 4.19Å; A305-A323 PolarHBondContact N-O 3.13Å; F319-A323 HydrophobicContact CB-CB 3.98Å; Q320-A323 WeakPolarHBondContact O-CB 3.24Å; Q320-A323 PolarHBondContact O-N 3.47Å; A323-M340 HydrophobicContact CB-SD 3.76Å
324I93.5Very high93.2Very high69 Ų6960.4 Ų60.435%0.35432%0.322SS..EExtended strand (participates in β ladder)trans-97.4128.4177.4-50.9-61000109.7K302 V304 Y326 I355K302-I324 HydrophobicContact CG-CG2 4.12Å; V304-I324 HydrophobicContact CB-CD1 4.19Å; V304-I324 HydrophobicContact CG2-CD1 4.11Å; I324-Y326 HydrophobicContact CG2-CE2 4.47Å; I324-I355 HydrophobicContact CD1-CD1 3.75Å; I324-I355 HydrophobicContact CG2-CD1 4.06Å
325I95.1Very high93.4Very high0 Ų052.7 Ų52.70%029%0.285CS..EExtended strand (participates in β ladder)trans-128.7138.1-178-43.8178000109.2V303 L317 F319 M340 F347 V352V303-I325 HydrophobicContact CG2-CB 3.92Å; V303-I325 WeakPolarHBondContact CG2-O 3.34Å; V303-I325 PolarHBondContact N-O 3.27Å; V303-I325 PolarHBondContact O-N 3.27Å; L317-I325 HydrophobicContact CD2-CD1 4.39Å; L317-I325 HydrophobicContact CD2-CG2 3.87Å; F319-I325 HydrophobicContact CB-CD1 4.42Å; F319-I325 HydrophobicContact CD1-CD1 3.46Å; F319-I325 VanDerWaalsContact CD1-CD1 3.46Å; F319-I325 HydrophobicContact CD2-CD1 4.27Å; F319-I325 HydrophobicContact CE1-CD1 3.6Å; F319-I325 HydrophobicContact CE2-CD1 4.39Å; F319-I325 HydrophobicContact CG-CD1 3.8Å; F319-I325 HydrophobicContact CZ-CD1 4.07Å; I325-M340 HydrophobicContact CG1-CB 4.34Å; I325-M340 HydrophobicContact CG2-CB 4.46Å; I325-F347 HydrophobicContact CB-CZ 4.36Å; I325-F347 HydrophobicContact CD1-CE1 4.46Å; I325-F347 HydrophobicContact CD1-CE2 4.31Å; I325-F347 HydrophobicContact CD1-CZ 4.26Å; I325-F347 HydrophobicContact CG2-CE1 3.65Å; I325-F347 HydrophobicContact CG2-CZ 3.81Å; I325-V352 HydrophobicContact CD1-CG1 4.17Å
326Y94.6Very high93.6Very high7 Ų751.8 Ų51.83%0.02728%0.277CS..EExtended strand (participates in β ladder)trans-98.1110.1175-60.7-94.9000108.9D291 W294 A295 P296 Y299 K302 I324 I328 G338 V339D291-Y326 PolarHBondContact OD1-OH 2.88Å; D291-Y326 WeakPolarHBondContact OD2-CE1 3.24Å; W294-Y326 HydrophobicContact CH2-CD2 4.06Å; W294-Y326 AromaticContact CH2-CE2 3.61Å; W294-Y326 HydrophobicContact CH2-CE2 3.61Å; W294-Y326 AromaticContact CZ3-CD2 3.67Å; W294-Y326 HydrophobicContact CZ3-CD2 3.67Å; W294-Y326 AromaticContact CZ3-CE2 3.61Å; W294-Y326 HydrophobicContact CZ3-CE2 3.61Å; A295-Y326 HydrophobicContact CB-CD2 4.26Å; A295-Y326 HydrophobicContact CB-CE1 4.18Å; A295-Y326 HydrophobicContact CB-CE2 3.9Å; P296-Y326 HydrophobicContact CG-CG 4.29Å; Y299-Y326 AromaticContact CD1-CD1 3.64Å; Y299-Y326 HydrophobicContact CD1-CD1 3.64Å; Y299-Y326 HydrophobicContact CD1-CE1 4.43Å; Y299-Y326 HydrophobicContact CD1-CG 4.45Å; Y299-Y326 HydrophobicContact CD2-CD1 4.26Å; Y299-Y326 AromaticContact CE1-CD1 3.58Å; Y299-Y326 HydrophobicContact CE1-CD1 3.58Å; Y299-Y326 AromaticContact CE1-CE1 3.93Å; Y299-Y326 HydrophobicContact CE1-CE1 3.93Å; Y299-Y326 HydrophobicContact CE2-CD1 4.22Å; Y299-Y326 AromaticContact CG-CD1 3.98Å; Y299-Y326 HydrophobicContact CG-CD1 3.98Å; Y299-Y326 AromaticContact CZ-CD1 3.87Å; K302-Y326 HydrophobicContact CD-CE1 3.92Å; K302-Y326 VanDerWaalsContact CE-OH 3.26Å; K302-Y326 WeakPolarHBondContact CE-OH 3.06Å; K302-Y326 HydrophobicContact CG-CD1 4.14Å; K302-Y326 HydrophobicContact CG-CE1 3.9Å; K302-Y326 PolarHBondContact NZ-OH 3.37Å; I324-Y326 HydrophobicContact CG2-CE2 4.47Å; Y326-I328 PolarHBondContact O-N 3.06Å; Y326-G338 CarbonylContact O-C 3.44Å; Y326-G338 WeakPolarHBondContact O-CA 3.17Å; Y326-V339 PolarHBondContact N-O 3.48Å; Y326-V339 PolarHBondContact O-N 3.32Å
327V95.9Very high93.6Very high0 Ų054.9 Ų54.90%029%0.291CS..EExtended strand (participates in β ladder)trans-73.9114.6-179.9-1790000109Y299 L300 E301 V303 K329 K330 Y336 E337 F347Y299-V327 CarbonylContact C-O 3.45Å; Y299-V327 WeakPolarHBondContact CA-O 3.47Å; Y299-V327 WeakPolarHBondContact CB-O 3.31Å; L300-V327 HydrophobicContact CB-CG1 4.49Å; L300-V327 PolarHBondContact N-O 2.78Å; E301-V327 HydrophobicContact CB-CB 4.37Å; E301-V327 WeakPolarHBondContact O-CB 3.29Å; E301-V327 PolarHBondContact O-N 2.97Å; V303-V327 HydrophobicContact CB-CG2 4.37Å; V303-V327 HydrophobicContact CG1-CG2 3.67Å; V303-V327 HydrophobicContact CG2-CG2 3.73Å; V327-K329 WeakPolarHBondContact CG1-O 3.41Å; V327-K330 HydrophobicContact CG1-CG 3.78Å; V327-Y336 HydrophobicContact CG2-CD2 4.32Å; V327-E337 CarbonylContact C-O 3.58Å; V327-F347 HydrophobicContact CG2-CZ 4.13Å
328I94.7Very high93.6Very high67 Ų6754.8 Ų54.834%0.34429%0.29SS..EExtended strand (participates in β ladder)trans-86-34172.3-66.3-177.2000110.4P296 L300 Y326 E337 V339P296-I328 HydrophobicContact CB-CD1 3.94Å; P296-I328 HydrophobicContact CB-CG1 4.32Å; P296-I328 HydrophobicContact CG-CD1 4.13Å; P296-I328 HydrophobicContact CG-CG1 4.13Å; L300-I328 WeakPolarHBondContact CD1-O 3.42Å; Y326-I328 PolarHBondContact O-N 3.06Å; I328-E337 PolarHBondContact N-O 3.31Å; I328-V339 HydrophobicContact CD1-CG2 3.57Å; I328-V339 HydrophobicContact CG1-CG2 4.37Å
329K94.3Very high93.6Very high102 Ų10252.9 Ų52.944%0.44328%0.277SS..EExtended strand (participates in β ladder)trans-146.8148.6-177-163.6-174.8173.8-155.60111.9V327 N331 Y336 E337V327-K329 WeakPolarHBondContact CG1-O 3.41Å; K329-N331 WeakPolarHBondContact CE-OD1 3.5Å; K329-N331 PolarHBondContact NZ-OD1 3.03Å; K329-Y336 CarbonylContact O-C 3.56Å; K329-Y336 WeakPolarHBondContact O-CA 3.46Å; K329-E337 HydrophobicContact CB-CB 3.84Å; K329-E337 PolarHBondContact N-O 3.16Å; K329-E337 PolarHBondContact O-N 2.77Å
330K95.1Very high93.5Very high81 Ų8153.5 Ų53.535%0.35228%0.28SS..EExtended strand (participates in β ladder)trans-117.1131.8165.8-59.7-171.6174.4-172.90108.7L300 E301 V327 Y336L300-K330 HydrophobicContact CD1-CG 4.4Å; E301-K330 WeakPolarHBondContact OE2-CE 3.32Å; E301-K330 IonicContact OE2-NZ 2.9Å; E301-K330 PolarHBondContact OE2-NZ 2.9Å; V327-K330 HydrophobicContact CG1-CG 3.78Å; K330-Y336 HydrophobicContact CB-CD1 3.72Å; K330-Y336 HydrophobicContact CB-CE1 3.79Å; K330-Y336 HydrophobicContact CD-CD1 4.13Å; K330-Y336 HydrophobicContact CD-CE1 3.68Å; K330-Y336 HydrophobicContact CD-CE2 4.16Å; K330-Y336 HydrophobicContact CG-CD1 3.59Å; K330-Y336 HydrophobicContact CG-CD2 4.41Å; K330-Y336 HydrophobicContact CG-CE1 3.65Å; K330-Y336 HydrophobicContact CG-CE2 4.45Å; K330-Y336 HydrophobicContact CG-CG 4Å
331N93.5Very high93.2Very high40 Ų4052 Ų5221%0.21428%0.276CS..  trans-101.4152.4173.3-58.1-32000110.2K329 D333 G334 W335K329-N331 WeakPolarHBondContact CE-OD1 3.5Å; K329-N331 PolarHBondContact NZ-OD1 3.03Å; N331-D333 VanDerWaalsContact CB-OD1 3.26Å; N331-D333 WeakPolarHBondContact CB-OD1 3.46Å; N331-D333 PolarHBondContact O-N 2.82Å; N331-G334 PolarHBondContact O-N 3.45Å; N331-G334 VanDerWaalsContact O-N 3.14Å; N331-W335 VanDerWaalsContact CB-O 3.31Å; N331-W335 WeakPolarHBondContact CB-O 3.26Å; N331-W335 PolarHBondContact N-O 3.36Å
332D90.1Very high93.1Very high179 Ų17947.6 Ų47.696%0.95727%0.268SS*.THydrogen-bonded Turntrans-69.3-11.9-177.5-53.8-62000114.3G334D332-G334 VanDerWaalsContact C-N 3.27Å
333D88.1Confident93.4Very high36 Ų3649.2 Ų49.219%0.19327%0.268CS..THydrogen-bonded Turntrans-82.8-0.7173.965.31.1000113.6P81 S83 N331 W335P81-D333 WeakPolarHBondContact CD-O 3.44Å; S83-D333 WeakPolarHBondContact CB-OD2 3.29Å; S83-D333 WeakPolarHBondContact OG-CB 3.31Å; S83-D333 PolarHBondContact OG-OD2 2.94Å; N331-D333 VanDerWaalsContact CB-OD1 3.26Å; N331-D333 WeakPolarHBondContact CB-OD1 3.46Å; N331-D333 PolarHBondContact O-N 2.82Å; D333-W335 WeakPolarHBondContact OD1-CB 3.35Å; D333-W335 PolarHBondContact OD1-N 3.16Å; D333-W335 VanDerWaalsContact OD1-N 3.09Å
334G92.3Very high93.5Very high27 Ų2752 Ų5228%0.27828%0.283SS..SBendtrans88.16.9-179.900000114.5N331 D332 G349N331-G334 PolarHBondContact O-N 3.45Å; N331-G334 VanDerWaalsContact O-N 3.14Å; D332-G334 VanDerWaalsContact C-N 3.27Å; G334-G349 PolarHBondContact O-N 3.35Å
335W95.3Very high93.6Very high16 Ų1649 Ų496%0.06127%0.27CS..EExtended strand (participates in β ladder)trans-92134.2169.9-69.279.3000111.3P80 P81 M82 Y309 E316 N331 D333 L346 F347P80-W335 HydrophobicContact CG-CD2 4.42Å; P80-W335 HydrophobicContact CG-CZ2 4.37Å; P81-W335 PolarHBondContact O-NE1 3.36Å; M82-W335 HydrophobicContact CE-CH2 3.79Å; M82-W335 HydrophobicContact CE-CZ2 3.73Å; M82-W335 HydrophobicContact CG-CZ2 3.76Å; Y309-W335 WeakPolarHBondContact OH-CH2 3.16Å; E316-W335 HydrophobicContact CG-CH2 4.48Å; E316-W335 HydrophobicContact CG-CZ3 3.94Å; N331-W335 VanDerWaalsContact CB-O 3.31Å; N331-W335 WeakPolarHBondContact CB-O 3.26Å; N331-W335 PolarHBondContact N-O 3.36Å; D333-W335 WeakPolarHBondContact OD1-CB 3.35Å; D333-W335 PolarHBondContact OD1-N 3.16Å; D333-W335 VanDerWaalsContact OD1-N 3.09Å; W335-L346 HydrophobicContact CE3-CB 4.14Å; W335-F347 WeakPolarHBondContact CA-O 3.38Å; W335-F347 VanDerWaalsContact CE3-C 3.42Å
336Y96.4Very high93.7Very high51 Ų5151 Ų5120%0.228%0.28CS..EExtended strand (participates in β ladder)trans-107.5144.3176-62.1-9.2000109.4V327 K329 K330 L346 F347 V352V327-Y336 HydrophobicContact CG2-CD2 4.32Å; K329-Y336 CarbonylContact O-C 3.56Å; K329-Y336 WeakPolarHBondContact O-CA 3.46Å; K330-Y336 HydrophobicContact CB-CD1 3.72Å; K330-Y336 HydrophobicContact CB-CE1 3.79Å; K330-Y336 HydrophobicContact CD-CD1 4.13Å; K330-Y336 HydrophobicContact CD-CE1 3.68Å; K330-Y336 HydrophobicContact CD-CE2 4.16Å; K330-Y336 HydrophobicContact CG-CD1 3.59Å; K330-Y336 HydrophobicContact CG-CD2 4.41Å; K330-Y336 HydrophobicContact CG-CE1 3.65Å; K330-Y336 HydrophobicContact CG-CE2 4.45Å; K330-Y336 HydrophobicContact CG-CG 4Å; Y336-L346 CarbonylContact O-C 3.58Å; Y336-L346 WeakPolarHBondContact O-CA 3.4Å; Y336-F347 HydrophobicContact CD2-CE2 4.09Å; Y336-F347 HydrophobicContact CD2-CZ 4.42Å; Y336-F347 HydrophobicContact CG-CE2 4.46Å; Y336-F347 PolarHBondContact N-O 2.79Å; Y336-F347 WeakPolarHBondContact O-CD1 3.46Å; Y336-F347 PolarHBondContact O-N 3.3Å; Y336-V352 HydrophobicContact CD2-CG2 4.21Å; Y336-V352 HydrophobicContact CE2-CG2 4.25Å
337E96.5Very high93.8Very high67 Ų6750.6 Ų50.631%0.31328%0.279SS..EExtended strand (participates in β ladder)trans-103.1131.6171-164-177163.300108V327 I328 K329 T344 L346V327-E337 CarbonylContact C-O 3.58Å; I328-E337 PolarHBondContact N-O 3.31Å; K329-E337 HydrophobicContact CB-CB 3.84Å; K329-E337 PolarHBondContact N-O 3.16Å; K329-E337 PolarHBondContact O-N 2.77Å; E337-T344 HydrophobicContact CG-CG2 4.34Å; E337-L346 HydrophobicContact CB-CD2 3.92Å; E337-L346 HydrophobicContact CG-CD2 4.2Å
338G95.9Very high93.8Very high0 Ų050.7 Ų50.70%028%0.279CS..EExtended strand (participates in β ladder)trans-165.1177.1-179.900000114.2Y326 T344 G345Y326-G338 CarbonylContact O-C 3.44Å; Y326-G338 WeakPolarHBondContact O-CA 3.17Å; G338-T344 WeakPolarHBondContact O-CA 3.35Å; G338-G345 PolarHBondContact N-O 3Å; G338-G345 VanDerWaalsContact N-O 3.1Å; G338-G345 PolarHBondContact O-N 3.24Å
339V95.3Very high93.7Very high9 Ų948 Ų486%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-118.1132.7-173.2-179.40000110.9W294 P296 Y326 I328 V343 T344W294-V339 HydrophobicContact CE3-CG1 4Å; W294-V339 HydrophobicContact CZ3-CG1 4.2Å; P296-V339 HydrophobicContact CG-CB 4.27Å; P296-V339 HydrophobicContact CG-CG2 4.27Å; Y326-V339 PolarHBondContact N-O 3.48Å; Y326-V339 PolarHBondContact O-N 3.32Å; I328-V339 HydrophobicContact CD1-CG2 3.57Å; I328-V339 HydrophobicContact CG1-CG2 4.37Å; V339-V343 WeakPolarHBondContact CA-O 3.41Å; V339-T344 HydrophobicContact CG2-CG2 4.08Å
340M93.1Very high93.8Very high25 Ų2545.8 Ų45.812%0.12326%0.261CS..EExtended strand (participates in β ladder)trans-136.4129.6169-178.3-166.561.700109.2L317 S318 F319 A323 I325 G342 V343L317-M340 HydrophobicContact CD1-CB 4.46Å; L317-M340 HydrophobicContact CD1-CE 4.47Å; L317-M340 HydrophobicContact CD2-CB 4.11Å; S318-M340 WeakPolarHBondContact O-CE 3.48Å; F319-M340 HydrophobicContact CB-CE 3.83Å; F319-M340 HydrophobicContact CB-SD 3.69Å; A323-M340 HydrophobicContact CB-SD 3.76Å; I325-M340 HydrophobicContact CG1-CB 4.34Å; I325-M340 HydrophobicContact CG2-CB 4.46Å; M340-G342 PolarHBondContact O-N 3.18Å; M340-G342 VanDerWaalsContact O-N 3.14Å; M340-V343 PolarHBondContact N-O 3.29Å; M340-V343 PolarHBondContact O-N 2.83Å
341N87.8Confident93.8Very high109 Ų10942 Ų4258%0.58324%0.244SC*.THydrogen-bonded Turntrans52.832.6-180-59.6-45.3000114W294 V343W294-N341 VanDerWaalsContact CE3-N 3.34Å; W294-N341 WeakPolarHBondContact CZ2-OD1 3.44Å; N341-V343 VanDerWaalsContact C-N 3.28Å; N341-V343 PolarHBondContact O-N 3.27Å
342G88.3Confident93.7Very high45 Ų4540.8 Ų40.846%0.46424%0.238SC..THydrogen-bonded Turntrans77.14.6-176.500000115.3W294 M340W294-G342 VanDerWaalsContact CE3-N 3.32Å; M340-G342 PolarHBondContact O-N 3.18Å; M340-G342 VanDerWaalsContact O-N 3.14Å
343V92.9Very high93.8Very high83 Ų8338 Ų3850%0.50322%0.22SC..EExtended strand (participates in β ladder)trans-99122173.3-176.10000109.2L317 V339 M340 N341L317-V343 HydrophobicContact CD1-CB 4.1Å; L317-V343 HydrophobicContact CD1-CG1 3.86Å; L317-V343 WeakPolarHBondContact CD1-O 3.3Å; V339-V343 WeakPolarHBondContact CA-O 3.41Å; M340-V343 PolarHBondContact N-O 3.29Å; M340-V343 PolarHBondContact O-N 2.83Å; N341-V343 VanDerWaalsContact C-N 3.28Å; N341-V343 PolarHBondContact O-N 3.27Å
344T94.9Very high93.8Very high79 Ų7938.5 Ų38.549%0.48523%0.226SC..EExtended strand (participates in β ladder)trans-88.4144.2170.9-41.80000110.6E337 G338 V339E337-T344 HydrophobicContact CG-CG2 4.34Å; G338-T344 WeakPolarHBondContact O-CA 3.35Å; V339-T344 HydrophobicContact CG2-CG2 4.08Å
345G96Very high93.3Very high7 Ų739.6 Ų39.67%0.07223%0.225CC..EExtended strand (participates in β ladder)trans-176.9174.6166.300000113.8D315 G338D315-G345 CarbonylContact O-C 3.46Å; D315-G345 WeakPolarHBondContact O-CA 3.36Å; G338-G345 PolarHBondContact N-O 3Å; G338-G345 VanDerWaalsContact N-O 3.1Å; G338-G345 PolarHBondContact O-N 3.24Å
346L96.6Very high92Very high40 Ų4044.5 Ų44.521%0.20925%0.25CS..EExtended strand (participates in β ladder)trans-82.3142175.7-68.3174.5000112D315 E316 L317 W335 Y336 E337D315-L346 PolarHBondContact O-N 3.23Å; E316-L346 CarbonylContact C-O 3.51Å; E316-L346 WeakPolarHBondContact CA-O 3.19Å; E316-L346 HydrophobicContact CG-CB 4.41Å; L317-L346 PolarHBondContact N-O 3.19Å; W335-L346 HydrophobicContact CE3-CB 4.14Å; Y336-L346 CarbonylContact O-C 3.58Å; Y336-L346 WeakPolarHBondContact O-CA 3.4Å; E337-L346 HydrophobicContact CB-CD2 3.92Å; E337-L346 HydrophobicContact CG-CD2 4.2Å
347F96.3Very high89.7Confident0 Ų047.5 Ų47.50%027%0.266CS..EExtended strand (participates in β ladder)trans-148.7155.5174.361.8-87.6000113.1V303 Y309 L317 F319 I325 V327 W335 Y336 G349 V352V303-F347 HydrophobicContact CG2-CE2 4.44Å; V303-F347 HydrophobicContact CG2-CZ 4.28Å; Y309-F347 HydrophobicContact CD1-CB 4.34Å; Y309-F347 HydrophobicContact CE1-CB 4.36Å; L317-F347 HydrophobicContact CB-CD1 4.45Å; L317-F347 HydrophobicContact CD2-CD1 4.05Å; L317-F347 HydrophobicContact CD2-CE1 4.38Å; F319-F347 HydrophobicContact CE1-CB 3.59Å; F319-F347 HydrophobicContact CE1-CD2 4.06Å; F319-F347 AromaticContact CE1-CG 3.89Å; F319-F347 HydrophobicContact CE1-CG 3.89Å; F319-F347 HydrophobicContact CZ-CB 4.25Å; F319-F347 HydrophobicContact CZ-CD2 4.22Å; F319-F347 HydrophobicContact CZ-CG 4.48Å; I325-F347 HydrophobicContact CB-CZ 4.36Å; I325-F347 HydrophobicContact CD1-CE1 4.46Å; I325-F347 HydrophobicContact CD1-CE2 4.31Å; I325-F347 HydrophobicContact CD1-CZ 4.26Å; I325-F347 HydrophobicContact CG2-CE1 3.65Å; I325-F347 HydrophobicContact CG2-CZ 3.81Å; V327-F347 HydrophobicContact CG2-CZ 4.13Å; W335-F347 WeakPolarHBondContact CA-O 3.38Å; W335-F347 VanDerWaalsContact CE3-C 3.42Å; Y336-F347 HydrophobicContact CD2-CE2 4.09Å; Y336-F347 HydrophobicContact CD2-CZ 4.42Å; Y336-F347 HydrophobicContact CG-CE2 4.46Å; Y336-F347 PolarHBondContact N-O 2.79Å; Y336-F347 WeakPolarHBondContact O-CD1 3.46Å; Y336-F347 PolarHBondContact O-N 3.3Å; F347-G349 PolarHBondContact O-N 3.36Å; F347-V352 HydrophobicContact CD2-CG1 4.05Å; F347-V352 HydrophobicContact CE2-CB 4.42Å; F347-V352 HydrophobicContact CE2-CG1 3.63Å; F347-V352 HydrophobicContact CE2-CG2 3.89Å
348P95.9Very high87Confident2 Ų253 Ų531%0.01329%0.285CS..EExtended strand (participates in β ladder)trans-70.5119.8179.629.2-37.9000111.9P80 Y309 N350 Y351P80-P348 HydrophobicContact CG-CB 3.37Å; Y309-P348 HydrophobicContact CD1-CG 4.32Å; Y309-P348 HydrophobicContact CD2-CG 3.86Å; Y309-P348 VanDerWaalsContact CE1-CD 3.49Å; Y309-P348 HydrophobicContact CE1-CG 4.32Å; Y309-P348 HydrophobicContact CE2-CG 3.89Å; Y309-P348 HydrophobicContact CG-CG 4.12Å; P348-N350 PolarHBondContact O-N 3.09Å; P348-N350 VanDerWaalsContact O-N 3.11Å; P348-Y351 HydrophobicContact CB-CD2 3.52Å; P348-Y351 HydrophobicContact CB-CE2 3.89Å; P348-Y351 HydrophobicContact CB-CG 4.37Å; P348-Y351 HydrophobicContact CG-CD1 4.43Å; P348-Y351 HydrophobicContact CG-CD2 3.26Å; P348-Y351 HydrophobicContact CG-CE2 3.71Å; P348-Y351 HydrophobicContact CG-CG 3.68Å; P348-Y351 WeakPolarHBondContact O-CB 3.36Å; P348-Y351 PolarHBondContact O-N 3.09Å
349G93.9Very high84.1Confident11 Ų1156.9 Ų56.911%0.11331%0.312CS..G310 helixtrans-65.6-15.9-172.400000115.4G334 F347 Y351 V352G334-G349 PolarHBondContact O-N 3.35Å; F347-G349 PolarHBondContact O-N 3.36Å; G349-Y351 VanDerWaalsContact C-N 3.3Å; G349-V352 VanDerWaalsContact O-CG2 3.29Å; G349-V352 WeakPolarHBondContact O-CG2 3.46Å
350N95.2Very high81.2Confident55 Ų5564.5 Ų64.529%0.29435%0.347SS..G310 helixtrans-86.76.5174.164.3-31.7000114.3P77 P78 P80 P348P77-N350 WeakPolarHBondContact CG-O 3.49Å; P78-N350 PolarHBondContact O-ND2 3.31Å; P80-N350 WeakPolarHBondContact CD-OD1 3.47Å; P348-N350 PolarHBondContact O-N 3.09Å; P348-N350 VanDerWaalsContact O-N 3.11Å
351Y94.4Very high80.6Confident1 Ų166.5 Ų66.50%0.00436%0.358CS..G310 helixtrans-98.1-0.2172.8-75.6-111.9000112.5K76 P77 A305 I306 Y307 Y309 P348 G349K76-Y351 HydrophobicContact CD-CE1 4.07Å; K76-Y351 WeakPolarHBondContact CD-OH 3.5Å; K76-Y351 WeakPolarHBondContact CE-OH 3.24Å; K76-Y351 HydrophobicContact CG-CE1 3.69Å; K76-Y351 VanDerWaalsContact CG-OH 3.3Å; K76-Y351 WeakPolarHBondContact CG-OH 3.33Å; P77-Y351 HydrophobicContact CG-CD2 4.05Å; P77-Y351 HydrophobicContact CG-CE1 4.32Å; P77-Y351 HydrophobicContact CG-CE2 3.8Å; P77-Y351 HydrophobicContact CG-CG 4.43Å; P77-Y351 PolarHBondContact O-OH 2.95Å; A305-Y351 WeakPolarHBondContact CA-O 3.37Å; I306-Y351 WeakPolarHBondContact CG1-O 2.99Å; I306-Y351 PolarHBondContact N-O 2.92Å; Y307-Y351 HydrophobicContact CD2-CD1 4.5Å; Y309-Y351 HydrophobicContact CD2-CD1 4.49Å; Y309-Y351 HydrophobicContact CD2-CE1 4.46Å; P348-Y351 HydrophobicContact CB-CD2 3.52Å; P348-Y351 HydrophobicContact CB-CE2 3.89Å; P348-Y351 HydrophobicContact CB-CG 4.37Å; P348-Y351 HydrophobicContact CG-CD1 4.43Å; P348-Y351 HydrophobicContact CG-CD2 3.26Å; P348-Y351 HydrophobicContact CG-CE2 3.71Å; P348-Y351 HydrophobicContact CG-CG 3.68Å; P348-Y351 WeakPolarHBondContact O-CB 3.36Å; P348-Y351 PolarHBondContact O-N 3.09Å; G349-Y351 VanDerWaalsContact C-N 3.3Å
352V92.8Very high80.2Confident14 Ų1464.3 Ų64.39%0.08535%0.347CS..EExtended strand (participates in β ladder)trans-129.7159.1-177.8-59.70000111.2V303 V304 F319 I325 Y336 F347 G349V303-V352 HydrophobicContact CB-CB 3.93Å; V303-V352 HydrophobicContact CB-CG2 4.03Å; V303-V352 HydrophobicContact CG1-CG2 4.37Å; V303-V352 HydrophobicContact CG2-CB 3.79Å; V303-V352 HydrophobicContact CG2-CG1 3.94Å; V303-V352 HydrophobicContact CG2-CG2 3.87Å; V304-V352 CarbonylContact O-C 3.53Å; V304-V352 WeakPolarHBondContact O-CA 3.41Å; F319-V352 HydrophobicContact CZ-CG1 4.27Å; I325-V352 HydrophobicContact CD1-CG1 4.17Å; Y336-V352 HydrophobicContact CD2-CG2 4.21Å; Y336-V352 HydrophobicContact CE2-CG2 4.25Å; F347-V352 HydrophobicContact CD2-CG1 4.05Å; F347-V352 HydrophobicContact CE2-CB 4.42Å; F347-V352 HydrophobicContact CE2-CG1 3.63Å; F347-V352 HydrophobicContact CE2-CG2 3.89Å; G349-V352 VanDerWaalsContact O-CG2 3.29Å; G349-V352 WeakPolarHBondContact O-CG2 3.46Å
353E91.2Very high79.8Confident121 Ų12165.3 Ų65.357%0.56534%0.34SS*.EExtended strand (participates in β ladder)trans-126.4144.7172.5-173.7167.7-155.800110.3V303 V304 I306 I355V303-E353 CarbonylContact C-O 3.57Å; V303-E353 VanDerWaalsContact CA-O 3.31Å; V303-E353 WeakPolarHBondContact CA-O 3.45Å; V303-E353 WeakPolarHBondContact CB-O 3.33Å; V304-E353 HydrophobicContact CG1-CB 4.35Å; V304-E353 PolarHBondContact N-O 3.28Å; V304-E353 PolarHBondContact O-N 3.17Å; I306-E353 HydrophobicContact CG2-CB 3.79Å; E353-I355 PolarHBondContact O-N 3.3Å
354S89.5Confident79Confident46 Ų4664.3 Ų64.332%0.32233%0.33SS..EExtended strand (participates in β ladder)trans-61.5122.3177.5-64.70000112E301 M356E301-S354 VanDerWaalsContact CD-OG 3.31Å; E301-S354 WeakPolarHBondContact OE1-CB 3.38Å; E301-S354 PolarHBondContact OE1-OG 3.41Å; S354-M356 PolarHBondContact O-N 3.14Å
355I81.9Confident78Confident51 Ų5163.4 Ų63.426%0.26232%0.321SS..SBendtrans-73.6-16.6173.8-64.2164000111.1K302 V304 I324 E353 H357K302-I355 HydrophobicContact CB-CB 4.46Å; K302-I355 HydrophobicContact CB-CD1 4.35Å; K302-I355 HydrophobicContact CG-CD1 3.98Å; K302-I355 WeakPolarHBondContact O-CB 3.34Å; K302-I355 PolarHBondContact O-N 3.21Å; V304-I355 HydrophobicContact CB-CD1 3.99Å; V304-I355 HydrophobicContact CB-CG1 3.9Å; V304-I355 HydrophobicContact CG1-CG1 4.03Å; I324-I355 HydrophobicContact CD1-CD1 3.75Å; I324-I355 HydrophobicContact CG2-CD1 4.06Å; E353-I355 PolarHBondContact O-N 3.3Å; I355-H357 PolarHBondContact O-N 3.17Å
356M66.4Low76.8Confident119 Ų11967.1 Ų67.159%0.58634%0.337SS*.THydrogen-bonded Turntrans-64.220.4178.1-54.3-61.6-77.900115.3E301 S354E301-M356 HydrophobicContact CG-CG 3.94Å; S354-M356 PolarHBondContact O-N 3.14Å
357H48.4Very low75.4Confident114 Ų11469.1 Ų69.153%0.52835%0.347SS..THydrogen-bonded Turntrans-101.86.9174.8-121.7104.9000113.8I355I355-H357 PolarHBondContact O-N 3.17Å
358Y40.3Very low73.8Confident181 Ų18174.4 Ų74.471%0.7137%0.373SS*.SBendtrans-130.343.8-172.4-65.3-76.3000114.4
359S34.5Very low71.9Confident83 Ų8380.4 Ų80.458%0.5840%0.403SS*.  trans-141.3113.5170.436.60000113.7
360E34.9Very low69.9Low169 Ų16986.7 Ų86.779%0.7943%0.43SS*.  trans67.50162.7-148.9-171-126.500121.4R34 P36R34-E360 IonicContact CZ-OE2 2.68Å; R34-E360 IonicContact NH1-OE2 2.66Å; R34-E360 PolarHBondContact NH1-OE2 2.63Å; R34-E360 PolarHBondContact NH2-O 2.77Å; R34-E360 IonicContact NH2-OE2 2.64Å; R34-E360 PolarHBondContact NH2-OE2 2.72Å; P36-E360 WeakPolarHBondContact CA-OXT 3.49Å; P36-E360 WeakPolarHBondContact CB-OXT 3.29Å

Retrieved 360 of 360 residues in 172.4 ms (Link to these results)