A0A087YE35_POEFO Loading...

MYC associated zinc finger protein

AlphaFold DB , UniProt , Accession A0A087YE35, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 456 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
1M34Very low33.4Very low216 Ų216159.5 Ų159.5100%1.06480%0.801SS**  0106.60-54.17417900106.9
2D31.1Very low34.7Very low142 Ų142155.6 Ų155.676%0.75980%0.795SS**  81.1130.981.6-61.7-47000110.6
3T35.7Very low34.5Very low124 Ų124152.8 Ų152.876%0.76179%0.791SS**  cis-154.11794-4.10000112.5
4S34.4Very low34.4Very low97 Ų97153.4 Ų153.468%0.67879%0.788SS**  trans-20.8139.3166-50.10000118.7
5W29.4Very low34Very low240 Ų240152.5 Ų152.591%0.90979%0.793SS**  81.4130.356.4-133.75.7000114.6
6S37.3Very low33.8Very low87 Ų87154.3 Ų154.361%0.60880%0.796SS**  trans73.5154.4154.8-61.70000119.1
7N34.6Very low35Very low129 Ų129150.6 Ų150.669%0.6978%0.784SS**  cis-163.7147.4-17.5-107.7-20.4000113.4
8F33.9Very low34.5Very low182 Ų182151.4 Ų151.480%0.79878%0.783SS**  trans49.6142.7141.4-84.8-69.1000126.5
9L31.6Very low34.3Very low156 Ų156149.8 Ų149.882%0.81778%0.782SS**  trans114.4159.5131.4-88.9165.8000121.9
10F31.6Very low35Very low199 Ų199147.5 Ų147.587%0.87378%0.776SS**  trans-94159.9-157.8-91.8-121.4000115
11Q34Very low34.8Very low182 Ų182147 Ų14785%0.8577%0.773SS**  trans-71175.2159.8-76-179-34.100112.8
12P49.4Very low34.6Very low113 Ų113145 Ų14573%0.73476%0.761SS**  cis-127.9-157.511.831.6-5.5000112.8
13T31.9Very low34.7Very low120 Ų120142.1 Ų142.174%0.73676%0.757SS**  cis-160.8155.217.1-23.70000113.4
14Q33.6Very low34.4Very low160 Ų160143.7 Ų143.775%0.74876%0.761SS**  trans9.9121.1150-68.4-79.130.100121.6
15T27.7Very low34.1Very low141 Ų141146.9 Ų146.987%0.86577%0.767SS**  -168174.493.932.10000111.5
16Q31.4Very low34.4Very low180 Ų180142.9 Ų142.984%0.84176%0.763SS**  trans-137.3174.7-172.1-105.8-165.63.700110.8
17P53.8Low35.5Very low92 Ų92143.8 Ų143.860%0.59777%0.767SS**  cis-130.3-173.8-20.430.2-8.1000112.6
18E26.1Very low35.1Very low165 Ų165144 Ų14477%0.77177%0.767SS**  trans165.9168.1132.4-84.5-4990.300111
19T30.2Very low34.9Very low122 Ų122141.7 Ų141.775%0.74876%0.763SS**  trans-151.6171.4-166.1460000112
20P47.8Very low34.8Very low102 Ų102141.1 Ų141.166%0.66277%0.766SS**  cis-139.4-169.1-32.234.7-14.2000114.5
21L31Very low34.6Very low139 Ų139134.7 Ų134.773%0.72876%0.756SS**  trans81.1125.3154.1-63.7174.2000122.6
22Q31.3Very low34.4Very low172 Ų172132.5 Ų132.580%0.80476%0.761SS**  trans62152.8138.4-66.1168.8-80.900120.8
23A31.8Very low33.5Very low83 Ų83131.7 Ų131.769%0.68676%0.764SS**  cis-168.8162.5-24.800000111.2
24D29.5Very low33.4Very low156 Ų156135 Ų13583%0.83477%0.771SS**  trans75.3171.3154.6-129.7-79.9000121.6
25M28.2Very low33.3Very low165 Ų165132.7 Ų132.781%0.81377%0.773SS**  trans75.998.1169.9-52.7-138.274.500120.9
26L35.1Very low35Very low156 Ų156131.4 Ų131.482%0.81777%0.767SS**  trans-89.9179.9140.8-74.9171000109.2
27P61.5Low35.6Very low106 Ų106128.5 Ų128.569%0.68876%0.763SS**  cis-125.3-173.7-14.825.9-2.1000112.2
28D26.7Very low34.6Very low132 Ų132128.5 Ų128.571%0.70677%0.771SS**  -179.6145.4108.2-115.9-154.1000117.4
29L28.4Very low34.8Very low135 Ų135128 Ų12871%0.70777%0.768SS**  trans59.1136.9145.3-71.3173.1000125.4
30T29.4Very low35.1Very low143 Ų143130.7 Ų130.788%0.87777%0.772SS**  trans66.6142.9156.7580000119.4
31G27.1Very low34.3Very low64 Ų64131.9 Ų131.966%0.6677%0.772SS**  cis169.8173.5-6.200000113.8
32S30.8Very low34.3Very low136 Ų136132.2 Ų132.295%0.95178%0.779SS**  trans68.6120.7169.9-580000118.6
33A30.2Very low34.4Very low97 Ų97130 Ų13080%0.80278%0.777SS**  trans-101.9157.7162.100000110.3
34Q30.9Very low34.7Very low189 Ų189130.2 Ų130.288%0.88378%0.78SS**  trans-155.9149.3158.6-117.5166.613.600112.7
35S30.6Very low35.4Very low112 Ų112128.5 Ų128.578%0.78378%0.777SS**  trans-156.3-172.8178.6-590000108
36P64.1Low35.6Very low114 Ų114125.9 Ų125.974%0.7478%0.775SS**  -105.2-171.3-9540.7-27.6000113
37P43.4Very low35.7Very low118 Ų118124.3 Ų124.377%0.76677%0.772SS**  -124154.51211.320.6000111.3
38A31.9Very low34.7Very low92 Ų92125.6 Ų125.676%0.7678%0.777SS**  cis73.8138.645.100000112.4
39E30.8Very low34.9Very low154 Ų154125.7 Ų125.772%0.7278%0.778SS**  cis-133.1173.211.2-59.5-177.9101.300110.7
40H36.7Very low35.8Very low180 Ų180125.3 Ų125.383%0.83378%0.781SS**  -165.2163.370.5-122.3-84.4000113.9
41I32.1Very low35.8Very low126 Ų126122.9 Ų122.965%0.64678%0.776SS**  trans-112.4141.1-164.9-61.6155.1000113.3T43I41-T43 HydrophobicContact CG2-CG2 4.21Å
42V30.6Very low35.9Very low146 Ų146124.4 Ų124.489%0.88578%0.782SS**  trans-142.5151.8142.4-176.60000108.8
43T32.6Very low36Very low125 Ų125126 Ų12677%0.76778%0.779SS**  trans-104165.9-15747.30000117.4I41I41-T43 HydrophobicContact CG2-CG2 4.21Å
44A37.6Very low36.7Very low89 Ų89127.3 Ų127.374%0.73678%0.782SS**  trans-98.8176.9168.800000113.1
45P45.1Very low37Very low119 Ų119127.2 Ų127.277%0.77378%0.782SS**  -127.2147.5121.86.515.3000112.1
46S33.2Very low37.7Very low110 Ų110131.2 Ų131.277%0.76979%0.788SS**  68.2132.471.6-141.40000112.3
47T36.8Very low36.4Very low124 Ų124131.7 Ų131.776%0.76179%0.791SS**  cis-147.3171.722.353.50000109.7
48V39.4Very low36.4Very low132 Ų132133.5 Ų133.580%0.879%0.794SS**  cis-160.1-179.6-3.3115.30000109.8
49D31.8Very low36.9Very low134 Ų134135 Ų13572%0.71780%0.796SS**  trans-52.8145.6-174.3-77.8-88.9000123.2
50T46Very low37.4Very low127 Ų127134.3 Ų134.378%0.77980%0.802SS**  8.2120.7118.6-23.90000119.4
51A30.9Very low37.7Very low93 Ų93134.8 Ų134.877%0.76980%0.802SS**  159.7156.3117.300000114.8
52A28.9Very low38Very low95 Ų95134.7 Ų134.779%0.78581%0.809SS**  trans74.3160.7158.500000120.4
53L32.5Very low38.7Very low171 Ų171135.3 Ų135.390%0.89581%0.806SS**  trans6995173.2-56.6-177000118.1
54S43.9Very low39.3Very low123 Ų123134.7 Ų134.786%0.8681%0.805SS**  trans-63.7132.9158.9-36.90000111.8
55E38.1Very low39.4Very low188 Ų188139.7 Ų139.788%0.87981%0.81SS**  trans-142.5140.9152.9-72.4-156.3123.300110.1
56E45.6Very low39.1Very low195 Ų195139.8 Ų139.891%0.91181%0.811SS**PPolyproline II helixtrans-91.6123.7175.7-78.8-1747200111.8
57P37.4Very low39.9Very low124 Ų124141.2 Ų141.281%0.80582%0.815SS**PPolyproline II helixtrans-90.3126.1165.531.2-27.2000111.9
58L42.8Very low40.8Very low156 Ų156146.5 Ų146.582%0.81782%0.821SS**PPolyproline II helixtrans-50.8157.3-174.4-70169.2000116.3V60L58-V60 PolarHBondContact O-N 2.66Å; L58-V60 VanDerWaalsContact O-N 3.13Å
59P41.6Very low41.6Very low124 Ų124145.4 Ų145.481%0.80582%0.816SS**  trans-61.9113.4-17023.4-35.7000114.3K61P59-K61 PolarHBondContact O-N 2.99Å
60V41.8Very low43.1Very low140 Ų140141.6 Ų141.685%0.84880%0.803SS**  trans-69.4113.1178.8-170.30000110.8L58L58-V60 PolarHBondContact O-N 2.66Å; L58-V60 VanDerWaalsContact O-N 3.13Å
61K44.1Very low44.7Very low190 Ų190138.9 Ų138.983%0.82678%0.782SS**PPolyproline II helixtrans-59.1130.3178.1-139.7170.3-170.3170.80110.2P59 L63P59-K61 PolarHBondContact O-N 2.99Å; K61-L63 PolarHBondContact O-N 3.41Å; K61-L63 VanDerWaalsContact O-N 3.13Å
62P38.2Very low47Very low124 Ų124138 Ų13881%0.80576%0.763SS**PPolyproline II helixtrans-59.5118.3-177.9-26.735.2000112.7
63L44.1Very low49.6Very low158 Ų158133.4 Ų133.483%0.82773%0.726SS**PPolyproline II helixtrans-61.6133.9175.7-162.574.4000109.6K61 K65K61-L63 PolarHBondContact O-N 3.41Å; K61-L63 VanDerWaalsContact O-N 3.13Å; L63-K65 PolarHBondContact O-N 3.34Å
64P45.6Very low51.9Low113 Ų113130.1 Ų130.173%0.73472%0.717SS**PPolyproline II helixtrans-60.9126.7179.623.6-33.4000110.6
65K40.4Very low53.5Low193 Ų193128.7 Ų128.784%0.83970%0.703SS**PPolyproline II helixtrans-58.1137.9175.7-69.2172.6-179.5170.20109.3L63 T67L63-K65 PolarHBondContact O-N 3.34Å; K65-T67 PolarHBondContact O-N 3.21Å; K65-T67 VanDerWaalsContact O-N 3.15Å
66P37.6Very low55.7Low122 Ų122121.9 Ų121.979%0.79268%0.675SS**PPolyproline II helixtrans-57.2124.1-179.523-33.4000110.1R68P66-R68 PolarHBondContact O-N 2.96Å
67T50.2Low57.4Low139 Ų139118.5 Ų118.585%0.85366%0.664SS**PPolyproline II helixtrans-56.1126.6176.8-15.20000108.3K65K65-T67 PolarHBondContact O-N 3.21Å; K65-T67 VanDerWaalsContact O-N 3.15Å
68R56.4Low59.6Low236 Ų236118.8 Ų118.889%0.89165%0.652SS**PPolyproline II helixtrans-56.6130.9178.7-72.5-176.3177.9-178.9-0.6108.7P66 A70P66-R68 PolarHBondContact O-N 2.96Å; R68-A70 PolarHBondContact O-N 3.25Å; R68-A70 VanDerWaalsContact O-N 3.09Å
69P55.8Low61.5Low108 Ų108117.9 Ų117.970%0.70164%0.644SS**PPolyproline II helixtrans-59.7120.2174.624.7-33000108.4H71P69-H71 PolarHBondContact O-N 3.13Å
70A63.3Low63.5Low54 Ų54114.3 Ų114.345%0.44662%0.616SS.*PPolyproline II helixtrans-58.1135.517600000109R68 I72 E79R68-A70 PolarHBondContact O-N 3.25Å; R68-A70 VanDerWaalsContact O-N 3.09Å; A70-I72 HydrophobicContact CB-CD1 4.01Å; A70-I72 HydrophobicContact CB-CG1 3.66Å; A70-I72 PolarHBondContact O-N 2.9Å; A70-E79 WeakPolarHBondContact CB-OE1 3.47Å
71H78.8Confident65Low71 Ų71117.9 Ų117.933%0.32962%0.62SS.*EExtended strand (participates in β ladder)trans-80.471178.5-61.1-61.4000109.6P69 F80 N82 S83 L86P69-H71 PolarHBondContact O-N 3.13Å; H71-F80 HydrophobicContact CB-CB 4.37Å; H71-F80 WeakPolarHBondContact CB-O 3.43Å; H71-F80 WeakPolarHBondContact O-CD2 3.4Å; H71-F80 PolarHBondContact O-N 3.13Å; H71-N82 VanDerWaalsContact CD2-CA 3.44Å; H71-N82 WeakPolarHBondContact CD2-CA 3.38Å; H71-S83 PolarHBondContact CD2-N 3.2Å; H71-S83 VanDerWaalsContact CD2-N 3.33Å; H71-S83 PolarHBondContact NE2-N 3.3Å; H71-L86 HydrophobicContact CB-CB 4.08Å; H71-L86 HydrophobicContact CB-CD2 3.81Å
72I80.4Confident66.7Low73 Ų73111.6 Ų111.637%0.37460%0.596SS.*EExtended strand (participates in β ladder)trans-81.5138.4-179.4-48.6-168.6000109.9A70 S74 N77 K78 E79A70-I72 HydrophobicContact CB-CD1 4.01Å; A70-I72 HydrophobicContact CB-CG1 3.66Å; A70-I72 PolarHBondContact O-N 2.9Å; I72-S74 PolarHBondContact O-N 3.05Å; I72-N77 HydrophobicContact CG2-CB 4.26Å; I72-K78 WeakPolarHBondContact CA-O 3.16Å; I72-E79 HydrophobicContact CD1-CG 4.38Å; I72-E79 HydrophobicContact CG1-CG 4.16Å
73C82.9Confident68.7Low0 Ų0109.3 Ų109.30%058%0.582CS.*  trans-84.2107.8172.1-176.40000110.9T75 C76 N77 K78 F80 L86C73-T75 PolarHBondContact O-N 3.39Å; C73-C76 PolarHBondContact O-N 3.46Å; C73-C76 VanDerWaalsContact SG-SG 3.69Å; C73-N77 WeakPolarHBondContact O-CA 3.47Å; C73-N77 PolarHBondContact O-N 3.09Å; C73-K78 PolarHBondContact N-O 3.31Å; C73-F80 HydrophobicContact CB-CE2 3.94Å; C73-L86 VanDerWaalsContact CA-CD1 3.47Å; C73-L86 HydrophobicContact CB-CD1 3.56Å
74S80.5Confident70.4Confident101 Ų101106 Ų10671%0.70656%0.559SS**THydrogen-bonded Turntrans-54.6-17.6179.748.70000115.7I72I72-S74 PolarHBondContact O-N 3.05Å
75T78.4Confident71.9Confident93 Ų93103.5 Ų103.557%0.57154%0.54SS*.THydrogen-bonded Turntrans-86.1-16.1176.3-36.60000114C73 H93C73-T75 PolarHBondContact O-N 3.39Å; T75-H93 HydrophobicContact CG2-CB 4.02Å
76C83.6Confident74Confident45 Ų4595.3 Ų95.330%0.30451%0.505SS..THydrogen-bonded Turntrans-153.26.6-17268.90000115.5C73 K78 H89 H93C73-C76 PolarHBondContact O-N 3.46Å; C73-C76 VanDerWaalsContact SG-SG 3.69Å; C76-K78 PolarHBondContact O-N 2.85Å; C76-H89 PolarHBondContact SG-NE2 3.42Å; C76-H93 PolarHBondContact SG-NE2 3.48Å; C76-H93 VanDerWaalsContact SG-NE2 3.44Å
77N81.9Confident76Confident125 Ų12598 Ų9867%0.66850%0.5SS*.  trans47.919.4-174.6-76.4-2.9000117.5I72 C73I72-N77 HydrophobicContact CG2-CB 4.26Å; C73-N77 WeakPolarHBondContact O-CA 3.47Å; C73-N77 PolarHBondContact O-N 3.09Å
78K83.3Confident77.3Confident129 Ų12998.1 Ų98.156%0.56148%0.484SS*.  trans-74.6130.4172.5-67.1-173.3177.5-176.10110.9I72 C73 C76 F80I72-K78 WeakPolarHBondContact CA-O 3.16Å; C73-K78 PolarHBondContact N-O 3.31Å; C76-K78 PolarHBondContact O-N 2.85Å; K78-F80 HydrophobicContact CB-CE2 3.77Å; K78-F80 HydrophobicContact CB-CZ 3.9Å; K78-F80 VanDerWaalsContact O-CD2 3.28Å; K78-F80 WeakPolarHBondContact O-CD2 3.28Å; K78-F80 WeakPolarHBondContact O-CE2 3.33Å
79E82.9Confident78.6Confident138 Ų13888.8 Ų88.865%0.64545%0.451SS*.EExtended strand (participates in β ladder)trans-83.6143.2176.7-53.1-162.694.100112.3A70 I72A70-E79 WeakPolarHBondContact CB-OE1 3.47Å; I72-E79 HydrophobicContact CD1-CG 4.38Å; I72-E79 HydrophobicContact CG1-CG 4.16Å
80F82.9Confident79.8Confident48 Ų4886.7 Ų86.721%0.21143%0.432CS..EExtended strand (participates in β ladder)trans-127.2140.9178.3-65.4-82.3000112.7H71 C73 K78 N82 N85 L86 H89H71-F80 HydrophobicContact CB-CB 4.37Å; H71-F80 WeakPolarHBondContact CB-O 3.43Å; H71-F80 WeakPolarHBondContact O-CD2 3.4Å; H71-F80 PolarHBondContact O-N 3.13Å; C73-F80 HydrophobicContact CB-CE2 3.94Å; K78-F80 HydrophobicContact CB-CE2 3.77Å; K78-F80 HydrophobicContact CB-CZ 3.9Å; K78-F80 VanDerWaalsContact O-CD2 3.28Å; K78-F80 WeakPolarHBondContact O-CD2 3.28Å; K78-F80 WeakPolarHBondContact O-CE2 3.33Å; F80-N82 PolarHBondContact O-N 3.46Å; F80-N82 VanDerWaalsContact O-N 3.15Å; F80-N85 HydrophobicContact CB-CB 4.21Å; F80-N85 HydrophobicContact CD1-CB 3.92Å; F80-N85 HydrophobicContact CG-CB 4.39Å; F80-L86 HydrophobicContact CB-CB 4.05Å; F80-L86 HydrophobicContact CD2-CB 4.09Å; F80-L86 HydrophobicContact CD2-CD1 3.97Å; F80-L86 HydrophobicContact CE2-CD1 4.43Å; F80-L86 HydrophobicContact CG-CB 4.23Å; F80-H89 HydrophobicContact CE1-CB 3.87Å; F80-H89 HydrophobicContact CE2-CB 3.84Å; F80-H89 AromaticContact CE2-CD2 3.49Å; F80-H89 VanDerWaalsContact CE2-CD2 3.49Å; F80-H89 WeakPolarHBondContact CE2-CD2 3.49Å; F80-H89 AromaticContact CE2-CG 3.78Å; F80-H89 HydrophobicContact CZ-CB 3.44Å; F80-H89 VanDerWaalsContact CZ-CB 3.44Å; F80-H89 AromaticContact CZ-CD2 3.32Å; F80-H89 WeakPolarHBondContact CZ-CD2 3.26Å; F80-H89 AromaticContact CZ-CG 3.25Å; F80-H89 AromaticContact CZ-ND1 3.92Å
81K73.9Confident80.6Confident215 Ų21585.8 Ų85.894%0.93542%0.422SS*.SBendtrans-68.2-11.8-178.1-64.1-174.9178.1-176.20114.5
82N79.9Confident80.6Confident59 Ų5987.4 Ų87.432%0.31644%0.436SS..SBendtrans-158.8162.9169.764.816.7000111.8H71 F80 Y84 N85 L86H71-N82 VanDerWaalsContact CD2-CA 3.44Å; H71-N82 WeakPolarHBondContact CD2-CA 3.38Å; F80-N82 PolarHBondContact O-N 3.46Å; F80-N82 VanDerWaalsContact O-N 3.15Å; N82-Y84 VanDerWaalsContact C-N 3.26Å; N82-Y84 PolarHBondContact O-N 3.02Å; N82-N85 PolarHBondContact O-N 2.79Å; N82-N85 WeakPolarHBondContact OD1-CB 3.31Å; N82-N85 PolarHBondContact OD1-N 2.95Å; N82-N85 PolarHBondContact OD1-ND2 3.29Å; N82-L86 PolarHBondContact O-N 3.15Å
83S79.2Confident80.4Confident75 Ų7587.6 Ų87.652%0.52444%0.436SS..Hα-helixtrans-60.5-27.4178.356.40000114.5H71 R87H71-S83 PolarHBondContact CD2-N 3.2Å; H71-S83 VanDerWaalsContact CD2-N 3.33Å; H71-S83 PolarHBondContact NE2-N 3.3Å; S83-R87 VanDerWaalsContact O-CB 3.31Å; S83-R87 WeakPolarHBondContact O-CB 3.44Å; S83-R87 PolarHBondContact O-N 2.91Å
84Y81Confident79.8Confident89 Ų8991.7 Ų91.735%0.34946%0.461SS..Hα-helixtrans-66.3-47.5175.2171-107.6000112.1N82 L86 R87 R88 D225N82-Y84 VanDerWaalsContact C-N 3.26Å; N82-Y84 PolarHBondContact O-N 3.02Å; Y84-L86 VanDerWaalsContact C-N 3.34Å; Y84-R87 PolarHBondContact O-N 3.16Å; Y84-R88 WeakPolarHBondContact O-CB 3.46Å; Y84-R88 PolarHBondContact O-N 2.97Å; Y84-D225 WeakPolarHBondContact CD2-OD2 3.47Å; Y84-D225 WeakPolarHBondContact CE2-OD2 3.34Å
85N76.9Confident78.6Confident61 Ų6189.9 Ų89.933%0.32646%0.458SS..Hα-helixtrans-66.8-36.8177.1-74.6-62.5000111.5F80 N82 R88 H89F80-N85 HydrophobicContact CB-CB 4.21Å; F80-N85 HydrophobicContact CD1-CB 3.92Å; F80-N85 HydrophobicContact CG-CB 4.39Å; N82-N85 PolarHBondContact O-N 2.79Å; N82-N85 WeakPolarHBondContact OD1-CB 3.31Å; N82-N85 PolarHBondContact OD1-N 2.95Å; N82-N85 PolarHBondContact OD1-ND2 3.29Å; N85-R88 PolarHBondContact O-N 3.07Å; N85-H89 WeakPolarHBondContact O-CB 3.5Å; N85-H89 PolarHBondContact O-N 3.44Å
86L84.9Confident77.5Confident20 Ų2088.7 Ų88.711%0.10545%0.451CS..Hα-helixtrans-57.8-53.9169.9170.159.9000111.5H71 C73 F80 N82 Y84 R88 H89 Q90H71-L86 HydrophobicContact CB-CB 4.08Å; H71-L86 HydrophobicContact CB-CD2 3.81Å; C73-L86 VanDerWaalsContact CA-CD1 3.47Å; C73-L86 HydrophobicContact CB-CD1 3.56Å; F80-L86 HydrophobicContact CB-CB 4.05Å; F80-L86 HydrophobicContact CD2-CB 4.09Å; F80-L86 HydrophobicContact CD2-CD1 3.97Å; F80-L86 HydrophobicContact CE2-CD1 4.43Å; F80-L86 HydrophobicContact CG-CB 4.23Å; N82-L86 PolarHBondContact O-N 3.15Å; Y84-L86 VanDerWaalsContact C-N 3.34Å; L86-R88 VanDerWaalsContact C-N 3.28Å; L86-R88 PolarHBondContact O-N 3.18Å; L86-H89 CarbonylContact O-C 3.59Å; L86-H89 WeakPolarHBondContact O-CA 3.48Å; L86-H89 PolarHBondContact O-N 3.09Å; L86-Q90 HydrophobicContact CD1-CG 3.9Å; L86-Q90 HydrophobicContact CG-CG 4.43Å; L86-Q90 WeakPolarHBondContact O-CG 3.43Å; L86-Q90 PolarHBondContact O-N 2.96Å
87R78Confident75.8Confident179 Ų17994.5 Ų94.568%0.67547%0.471SS*.Hα-helixtrans-60-37.8179.7-176175.1-70.1-155.3-3.3112.1S83 Y84 S91 M98S83-R87 VanDerWaalsContact O-CB 3.31Å; S83-R87 WeakPolarHBondContact O-CB 3.44Å; S83-R87 PolarHBondContact O-N 2.91Å; Y84-R87 PolarHBondContact O-N 3.16Å; R87-S91 PolarHBondContact O-N 2.77Å; R87-S91 VanDerWaalsContact O-N 3.16Å; R87-M98 HydrophobicContact CG-CE 4.47Å
88R77.9Confident74.4Confident141 Ų14193.5 Ų93.553%0.53246%0.463SS..Hα-helixtrans-65.3-40.3173.3-171.7178.7175.7-149.3-3.6111.9Y84 N85 L86 S91 M98Y84-R88 WeakPolarHBondContact O-CB 3.46Å; Y84-R88 PolarHBondContact O-N 2.97Å; N85-R88 PolarHBondContact O-N 3.07Å; L86-R88 VanDerWaalsContact C-N 3.28Å; L86-R88 PolarHBondContact O-N 3.18Å; R88-S91 PolarHBondContact O-N 3.4Å; R88-S91 PolarHBondContact O-OG 3.33Å; R88-M98 HydrophobicContact CB-CE 4.14Å; R88-M98 HydrophobicContact CG-CE 4.42Å
89H83.6Confident72.7Confident41 Ų4196 Ų9619%0.1947%0.474CS..Hα-helixtrans-69.8-42176-17261.2000112.7C76 F80 N85 L86 S91 V92 H93C76-H89 PolarHBondContact SG-NE2 3.42Å; F80-H89 HydrophobicContact CE1-CB 3.87Å; F80-H89 HydrophobicContact CE2-CB 3.84Å; F80-H89 AromaticContact CE2-CD2 3.49Å; F80-H89 VanDerWaalsContact CE2-CD2 3.49Å; F80-H89 WeakPolarHBondContact CE2-CD2 3.49Å; F80-H89 AromaticContact CE2-CG 3.78Å; F80-H89 HydrophobicContact CZ-CB 3.44Å; F80-H89 VanDerWaalsContact CZ-CB 3.44Å; F80-H89 AromaticContact CZ-CD2 3.32Å; F80-H89 WeakPolarHBondContact CZ-CD2 3.26Å; F80-H89 AromaticContact CZ-CG 3.25Å; F80-H89 AromaticContact CZ-ND1 3.92Å; N85-H89 WeakPolarHBondContact O-CB 3.5Å; N85-H89 PolarHBondContact O-N 3.44Å; L86-H89 CarbonylContact O-C 3.59Å; L86-H89 WeakPolarHBondContact O-CA 3.48Å; L86-H89 PolarHBondContact O-N 3.09Å; H89-S91 PolarHBondContact O-N 2.88Å; H89-V92 VanDerWaalsContact O-CB 3.26Å; H89-V92 WeakPolarHBondContact O-CB 3.32Å; H89-V92 PolarHBondContact O-N 3.16Å; H89-H93 AromaticContact CD2-NE2 3.5Å; H89-H93 AromaticContact CE1-NE2 3.68Å; H89-H93 AromaticContact NE2-CD2 3.98Å; H89-H93 AromaticContact NE2-CE1 3.83Å; H89-H93 AromaticContact NE2-NE2 3.02Å; H89-H93 PolarHBondContact NE2-NE2 3.27Å
90Q81.3Confident71Confident64 Ų6493.4 Ų93.430%0.29947%0.465SS..Hα-helixtrans-56.7-37.2174.3-74.1170.5-38.900112L86 V92 H93 T94L86-Q90 HydrophobicContact CD1-CG 3.9Å; L86-Q90 HydrophobicContact CG-CG 4.43Å; L86-Q90 WeakPolarHBondContact O-CG 3.43Å; L86-Q90 PolarHBondContact O-N 2.96Å; Q90-V92 PolarHBondContact O-N 3.31Å; Q90-V92 VanDerWaalsContact O-N 3.17Å; Q90-H93 PolarHBondContact O-N 3.35Å; Q90-H93 VanDerWaalsContact O-N 3.11Å; Q90-T94 PolarHBondContact O-N 3.1Å; Q90-T94 PolarHBondContact O-OG1 3.48Å
91S80.3Confident69.5Low34 Ų3498.1 Ų98.124%0.23848%0.481CS..Hα-helixtrans-65.1-14.5175.273.50000115R87 R88 H89R87-S91 PolarHBondContact O-N 2.77Å; R87-S91 VanDerWaalsContact O-N 3.16Å; R88-S91 PolarHBondContact O-N 3.4Å; R88-S91 PolarHBondContact O-OG 3.33Å; H89-S91 PolarHBondContact O-N 2.88Å
92V79.3Confident68.4Low105 Ų10591.4 Ų91.464%0.63647%0.466SS*.Hα-helixtrans-77.2-42.3171.6-1740000110.5H89 Q90H89-V92 VanDerWaalsContact O-CB 3.26Å; H89-V92 WeakPolarHBondContact O-CB 3.32Å; H89-V92 PolarHBondContact O-N 3.16Å; Q90-V92 PolarHBondContact O-N 3.31Å; Q90-V92 VanDerWaalsContact O-N 3.17Å
93H75.7Confident66.9Low78 Ų7891.3 Ų91.336%0.36147%0.473SS..Hα-helixtrans-69.9-34.1179.3-62.6-61.6000113T75 C76 H89 Q90T75-H93 HydrophobicContact CG2-CB 4.02Å; C76-H93 PolarHBondContact SG-NE2 3.48Å; C76-H93 VanDerWaalsContact SG-NE2 3.44Å; H89-H93 AromaticContact CD2-NE2 3.5Å; H89-H93 AromaticContact CE1-NE2 3.68Å; H89-H93 AromaticContact NE2-CD2 3.98Å; H89-H93 AromaticContact NE2-CE1 3.83Å; H89-H93 AromaticContact NE2-NE2 3.02Å; H89-H93 PolarHBondContact NE2-NE2 3.27Å; Q90-H93 PolarHBondContact O-N 3.35Å; Q90-H93 VanDerWaalsContact O-N 3.11Å
94T71.1Confident65.6Low85 Ų8595.2 Ų95.252%0.52148%0.477SS..THydrogen-bonded Turntrans-81.9-11.6-176.855.80000114.7Q90 V96Q90-T94 PolarHBondContact O-N 3.1Å; Q90-T94 PolarHBondContact O-OG1 3.48Å; T94-V96 PolarHBondContact O-N 3.4Å
95G54.5Low64.1Low64 Ų6496.1 Ų96.166%0.6649%0.487SS*.  trans65.9-27.3-174.300000116.1K97G95-K97 PolarHBondContact O-N 3.11Å
96V55.5Low62.9Low68 Ų68101.5 Ų101.541%0.41251%0.508SS..  trans-68.6121.1179.4177.30000110.8T94 D100T94-V96 PolarHBondContact O-N 3.4Å; V96-D100 HydrophobicContact CG1-CB 4.27Å
97K48.1Very low61.1Low167 Ų167107 Ų10773%0.72653%0.533SS*.  trans-62.5142.3173.8-70.4165.4-177.2160.90109.7G95 K99 D100G95-K97 PolarHBondContact O-N 3.11Å; K97-K99 PolarHBondContact O-N 3.17Å; K97-D100 PolarHBondContact O-N 3.17Å; K97-D100 VanDerWaalsContact O-N 3.12Å
98M52.4Low59.4Low103 Ų103104.7 Ų104.751%0.50753%0.534SS..Hα-helixtrans-55.9-13.5-176.2-74.5-175.9167.700115.9R87 R88R87-M98 HydrophobicContact CG-CE 4.47Å; R88-M98 HydrophobicContact CB-CE 4.14Å; R88-M98 HydrophobicContact CG-CE 4.42Å
99K48.3Very low57.5Low181 Ų181100.8 Ų100.879%0.78754%0.538SS*.Hα-helixtrans-71.7-33.5179.4-167.8-176.9177.6-165.70112K97K97-K99 PolarHBondContact O-N 3.17Å
100D45.4Very low55.5Low85 Ų85102.8 Ų102.846%0.45556%0.561SS.*Hα-helixtrans-98.9-19.3-160.4-46.7-68.7000112.3V96 K97 A102 A103V96-D100 HydrophobicContact CG1-CB 4.27Å; K97-D100 PolarHBondContact O-N 3.17Å; K97-D100 VanDerWaalsContact O-N 3.12Å; D100-A102 PolarHBondContact O-N 2.94Å; D100-A103 PolarHBondContact O-N 3.48Å
101R52.3Low53.5Low147 Ų147109.7 Ų109.756%0.55559%0.59SS**Hα-helixtrans-62.5-41.4174.1-167.172.4-166.5-162.22.8112.5A103 R104 D105R101-A103 PolarHBondContact O-N 3.33Å; R101-R104 PolarHBondContact O-N 2.98Å; R101-D105 IonicContact NE-OD2 3.42Å; R101-D105 PolarHBondContact NE-OD2 3.36Å; R101-D105 PolarHBondContact O-N 2.82Å; R101-D105 VanDerWaalsContact O-N 3.09Å
102A49.8Very low51.5Low74 Ų74112.6 Ų112.661%0.61262%0.616SS**Hα-helixtrans-71.4-6.4-179.300000114.6D100D100-A102 PolarHBondContact O-N 2.94Å
103A48.7Very low49.3Very low57 Ų57111.4 Ų111.447%0.47163%0.626SS.*Hα-helixtrans-84.4-46.4165.100000110.6D100 R101 D105 K106D100-A103 PolarHBondContact O-N 3.48Å; R101-A103 PolarHBondContact O-N 3.33Å; A103-D105 PolarHBondContact O-N 3.2Å; A103-K106 WeakPolarHBondContact O-CB 3.36Å; A103-K106 PolarHBondContact O-N 3.33Å
104R51.9Low47.2Very low157 Ų157117.8 Ų117.859%0.59265%0.647SS**Hα-helixtrans-64.9-39.5-177.1-160.6169.4-175.6141.4-0113.5R101 K106 E107 D108R101-R104 PolarHBondContact O-N 2.98Å; R104-K106 PolarHBondContact O-N 3.02Å; R104-E107 PolarHBondContact O-N 3.18Å; R104-D108 PolarHBondContact O-N 3.34Å
105D50.2Low45.5Very low107 Ų107122 Ų12257%0.57267%0.665SS**Hα-helixtrans-62-9.1171.8-79-101.9000113.6R101 A103R101-D105 IonicContact NE-OD2 3.42Å; R101-D105 PolarHBondContact NE-OD2 3.36Å; R101-D105 PolarHBondContact O-N 2.82Å; R101-D105 VanDerWaalsContact O-N 3.09Å; A103-D105 PolarHBondContact O-N 3.2Å
106K51.2Low44.5Very low174 Ų174125.5 Ų125.576%0.75766%0.664SS**Hα-helixtrans-93.2-19.7167.6-82.6-169.3164.3-160.40114.3A103 R104A103-K106 WeakPolarHBondContact O-CB 3.36Å; A103-K106 PolarHBondContact O-N 3.33Å; R104-K106 PolarHBondContact O-N 3.02Å
107E46.7Very low43.4Very low136 Ų136132.3 Ų132.364%0.63669%0.688SS**Hα-helixtrans-85.6-42.6-176.4-64.7175.2122.400110.9R104 G109 A110R104-E107 PolarHBondContact O-N 3.18Å; E107-G109 PolarHBondContact O-N 2.94Å; E107-A110 WeakPolarHBondContact O-CB 3.43Å; E107-A110 PolarHBondContact O-N 3.22Å
108D42.3Very low42.5Very low131 Ų131130.7 Ų130.770%0.70169%0.693SS**G310 helixtrans-62.9-27.4173.5-81.3-72.1000112.8R104 A110R104-D108 PolarHBondContact O-N 3.34Å; D108-A110 VanDerWaalsContact C-N 3.27Å; D108-A110 PolarHBondContact O-N 3.44Å
109G38.9Very low41.3Very low59 Ų59131.4 Ų131.461%0.60870%0.703SS**G310 helixtrans-73-9.717700000115.4E107E107-G109 PolarHBondContact O-N 2.94Å
110A40.6Very low40.7Very low83 Ų83129.4 Ų129.469%0.68670%0.699SS**G310 helixtrans-89.13.1-169.500000115.3E107 D108E107-A110 WeakPolarHBondContact O-CB 3.43Å; E107-A110 PolarHBondContact O-N 3.22Å; D108-A110 VanDerWaalsContact C-N 3.27Å; D108-A110 PolarHBondContact O-N 3.44Å
111K40.3Very low40.2Very low208 Ų208130.8 Ų130.890%0.90471%0.713SS**G310 helixtrans-105.47.6-174.8-74.8-170175.1-177.80115.9
112A39.2Very low39.2Very low95 Ų95131.6 Ų131.679%0.78573%0.727SS**SBendtrans-121.5125.8175.400000111.1
113G31.5Very low38.4Very low81 Ų81133 Ų13384%0.83573%0.733SS**  trans105.158.9172.100000116.7L115G113-L115 PolarHBondContact O-N 3.19Å
114R32.6Very low37.6Very low212 Ų212137.2 Ų137.280%0.875%0.747SS**  trans-76.2111.3158.8177.3-175.1175.4-169.6-0.5109E116R114-E116 IonicContact CZ-OE1 2.81Å; R114-E116 VanDerWaalsContact CZ-OE1 3.24Å; R114-E116 IonicContact NE-OE1 3.43Å; R114-E116 PolarHBondContact NE-OE1 3.28Å; R114-E116 IonicContact NH2-OE1 2.84Å; R114-E116 PolarHBondContact NH2-OE1 2.83Å
115L34.1Very low36.7Very low174 Ų174138.1 Ų138.191%0.91176%0.762SS**  trans-145.2144.8151.3-147.475.9000109.4G113G113-L115 PolarHBondContact O-N 3.19Å
116E35.3Very low36Very low136 Ų136141.3 Ų141.364%0.63677%0.774SS**  trans-98.5146.9-160.7-68.1164.318000112.5R114R114-E116 IonicContact CZ-OE1 2.81Å; R114-E116 VanDerWaalsContact CZ-OE1 3.24Å; R114-E116 IonicContact NE-OE1 3.43Å; R114-E116 PolarHBondContact NE-OE1 3.28Å; R114-E116 IonicContact NH2-OE1 2.84Å; R114-E116 PolarHBondContact NH2-OE1 2.83Å
117K31.4Very low35Very low212 Ų212141 Ų14192%0.92278%0.779SS**  trans-159131158.4-109.5154.6-170.8177.20110.1
118T29.1Very low34.2Very low133 Ų133140.8 Ų140.882%0.81679%0.788SS**  trans-94157.7-171.322.40000113.1
119T28.6Very low33.9Very low117 Ų117141.6 Ų141.672%0.71879%0.791SS**  trans17.1133.3142.5-22.30000116.9
120I33.8Very low33.6Very low139 Ų139145 Ų14571%0.71380%0.803SS**  -158.8145.958.5-68.1151.5000110.5L122I120-L122 HydrophobicContact CG2-CD1 4.08Å
121P35.2Very low33.2Very low114 Ų114144.8 Ų144.874%0.7480%0.801SS**  trans-86.2132.4165.133.8-31.5000112.2
122L31.3Very low33.1Very low164 Ų164142.6 Ų142.686%0.85979%0.794SS**  trans-100.5125168.1-106.971.5000111.1I120I120-L122 HydrophobicContact CG2-CD1 4.08Å
123S32.8Very low33Very low105 Ų105143.6 Ų143.673%0.73479%0.792SS**  trans-112.8167.1164.1-68.70000109.1
124L32.4Very low33.3Very low145 Ų145147.1 Ų147.176%0.75979%0.791SS**  trans76.199.7174.2-48.6176.3000116.5
125L34.1Very low34Very low176 Ų176142.1 Ų142.192%0.92179%0.786SS**  -126.3130121.7-91.8102.7000108.5
126Q34.1Very low34.6Very low173 Ų173139.9 Ų139.981%0.80878%0.782SS**  trans-104.4145.9166.9-62.7171.4-85.500107.9
127L31.1Very low34.7Very low167 Ų167138.4 Ų138.487%0.87479%0.793SS**  trans-145.9148161.5-104.1162000108.9
128T30.2Very low34.5Very low133 Ų133132.3 Ų132.382%0.81679%0.79SS**  trans-104.3161.7-154.616.60000115
129L35.1Very low34.6Very low148 Ų148130.6 Ų130.678%0.77579%0.79SS**  trans-67.9160.3171.1-81.873.9000112.3
130P33.6Very low35.9Very low130 Ų130130.5 Ų130.584%0.84479%0.791SS**  -109.3169.411933.8-34.5000111.6
131A32.4Very low35.6Very low78 Ų78131.5 Ų131.565%0.64580%0.798SS**  trans-143.5157.1-159.200000115.5
132Q37.9Very low35.4Very low163 Ų163129.9 Ų129.976%0.76279%0.794SS**  trans71162.2159.7-70-63.67.600116.3
133P36.4Very low35.3Very low116 Ų116130.5 Ų130.575%0.75380%0.797SS**  cis-133.2159.623.341.3-23.9000120.1
134L37.6Very low35.1Very low154 Ų154129.5 Ų129.581%0.80680%0.796SS**  trans-101.9142.4149.5-85.5161.3000109.2
135P46.6Very low35.9Very low108 Ų108128.3 Ų128.370%0.70180%0.796SS**  -151.6-177.5122.439.6-23.9000113.4
136P48.5Very low35.6Very low126 Ų126128.4 Ų128.482%0.81880%0.797SS**  cis-124.1179.6-30.227.2-7.7000112.2
137A35.7Very low35.4Very low106 Ų106125 Ų12588%0.87680%0.798SS**  trans-116.4146.2156.500000109.4
138G28.6Very low35.2Very low83 Ų83120.1 Ų120.186%0.85679%0.788SS**  trans-161.4140.8178.600000111.3
139A30.2Very low35.3Very low98 Ų98122.7 Ų122.781%0.8179%0.791SS**  trans-142.4-170.5178.200000107
140P56.6Low35Very low115 Ų115122.7 Ų122.775%0.74779%0.792SS**  cis-118.2-174.9-23.840.4-27.5000110.7
141D27.1Very low34.9Very low160 Ų160120.3 Ų120.386%0.85678%0.783SS**  -164.2174.8121.5-133.3-51.3000111.4
142A31.4Very low34.9Very low79 Ų79125.4 Ų125.465%0.65379%0.793SS**  trans-116.5156.1-174.100000113.5
143L28.5Very low34.8Very low178 Ų178122.7 Ų122.793%0.93279%0.79SS**  trans-175.8158.2133.8-99.8165000111.1
144A29.5Very low34.4Very low84 Ų84125.9 Ų125.969%0.69480%0.8SS**  trans-140-174.3175.600000107.4
145P47.8Very low34.1Very low119 Ų119123.8 Ų123.877%0.77380%0.798SS**  cis-129.6-170.3-8.942.6-27.2000112.6
146L28.7Very low33.5Very low179 Ų179124.7 Ų124.794%0.93780%0.801SS**  trans-159.5166139.6-108.4173.4000110
147A29.1Very low32.6Very low101 Ų101124.3 Ų124.384%0.83580%0.801SS**  trans-129.7159.6-163.400000114.4
148G27.9Very low32.7Very low64 Ų64126.4 Ų126.466%0.6680%0.796SS**  trans166.7105.3165.900000118.4
149Q32.9Very low33Very low187 Ų187126.8 Ų126.887%0.87479%0.791SS**  trans68119.5135.5-65.3171.77200123
150D28.3Very low33.3Very low149 Ų149128 Ų12880%0.79779%0.791SS**  57.7115.4128.5-73.3-98.1000126.9
151A30.6Very low32.1Very low79 Ų79127.1 Ų127.165%0.65379%0.793SS**  63.898.411400000123.5
152Q32Very low32.4Very low185 Ų185125.9 Ų125.986%0.86479%0.792SS**  trans65.5-173.9141.5-52.7-154-800117.8
153P37.4Very low32.5Very low106 Ų106128.2 Ų128.269%0.68880%0.797SS**  -125.1145.6-84.737.2-22.8000113.9
154L28.1Very low32.7Very low184 Ų184125.9 Ų125.996%0.96379%0.791SS**PPolyproline II helixtrans-97140.2172.9-66.9179.4000112.4
155S30.5Very low32.8Very low109 Ų109130.3 Ų130.376%0.76280%0.799SS**PPolyproline II helixtrans-99.9161.5-164.951.70000113.7
156V34.8Very low32Very low128 Ų128129.5 Ų129.578%0.77680%0.803SS**PPolyproline II helixtrans-99121.4175178.90000109.3I158V156-I158 HydrophobicContact CG1-CD1 4.4Å; V156-I158 HydrophobicContact CG1-CG1 4.17Å
157S29.5Very low32.5Very low117 Ų117125.7 Ų125.782%0.81880%0.797SS**PPolyproline II helixtrans-98.4124170.5-62.50000111.1
158I37.5Very low33.3Very low150 Ų150126.3 Ų126.377%0.76979%0.793SS**  trans-123.4124.9167.9-62.9173000106.6V156V156-I158 HydrophobicContact CG1-CD1 4.4Å; V156-I158 HydrophobicContact CG1-CG1 4.17Å
159A34.3Very low33.8Very low91 Ų91128.9 Ų128.975%0.75280%0.798SS**  trans-82.6137.5177.800000111.1
160P37.5Very low34Very low125 Ų125128.1 Ų128.181%0.81279%0.794SS**  trans-78.8134.8174.131.7-33000111.2
161A31.2Very low35.2Very low96 Ų96126.2 Ų126.279%0.79379%0.79SS**  trans-109117.3168.200000109.4
162T32.1Very low35.4Very low133 Ų133130 Ų13082%0.81680%0.798SS**  trans-74.4132.7-174.8-49.30000111.6
163V34.5Very low35.4Very low128 Ų128129.2 Ų129.278%0.77679%0.794SS**  trans-114.5117.9170.5179.70000109.1
164T32Very low35Very low130 Ų130128.7 Ų128.780%0.79880%0.798SS**  trans-77129-178-50.10000111.3
165M31.6Very low35.3Very low176 Ų176124.3 Ų124.387%0.86779%0.789SS**  trans-86.2135.4172.5-68.4-73.6-76.100110.6
166A32.1Very low35.3Very low103 Ų103126.9 Ų126.985%0.85179%0.792SS**  trans-110145.9171.600000110.9
167A39.2Very low35.4Very low98 Ų98127 Ų12781%0.8179%0.793SS**  trans-98.1165.3-170.400000113.3
168P45.3Very low35.7Very low115 Ų115127.6 Ų127.675%0.74779%0.791SS**  trans-101.5167.7-168.339.6-35.8000114.8
169P38.6Very low35.5Very low118 Ų118127 Ų12777%0.76680%0.795SS**  trans-106.2158.3159.237-29.3000113.5
170Q37.6Very low35.4Very low171 Ų171126.2 Ų126.280%0.79980%0.795SS**  trans-137.8-171.2173.1-71.2-74.2-11.200108.1
171P53.5Low35.1Very low108 Ų108125.9 Ų125.970%0.70180%0.796SS**  -124.1164.1-110.429-5.7000116.3
172I33.3Very low35.7Very low160 Ų160129.6 Ų129.682%0.82180%0.799SS**  trans-177.5153.2162.8-106.7154.1000109.2
173Q33.4Very low35.6Very low168 Ų168132.7 Ų132.779%0.78580%0.804SS**  cis-167.4171.3-39-124.3-161.197.900110.7
174A29.3Very low35.6Very low94 Ų94135.5 Ų135.578%0.77781%0.808SS**  trans56.5128156.800000122
175A32.9Very low35.7Very low93 Ų93136.8 Ų136.877%0.76981%0.81SS**  trans-77.2162.8-173.800000117.4
176I31.9Very low36.1Very low163 Ų163133.5 Ų133.584%0.83680%0.802SS**  trans-132.1143.8149.2-59.3-179.8000107.8V178I176-V178 HydrophobicContact CG2-CG2 4.48Å
177V36.4Very low36.3Very low129 Ų129133.8 Ų133.878%0.78280%0.798SS**  trans-108.7128176.5-175.90000109.7
178V35.1Very low36.3Very low131 Ų131135.2 Ų135.279%0.79480%0.799SS**  trans-133.7132.1166.5177.90000108.6I176I176-V178 HydrophobicContact CG2-CG2 4.48Å
179V34.2Very low36Very low138 Ų138134.8 Ų134.884%0.83680%0.799SS**  trans-85134.5174.5-72.60000110.3
180G31.4Very low36.2Very low73 Ų73135 Ų13575%0.75380%0.8SS**  trans-146.2137.9178.400000110.1
181S30.8Very low36.5Very low119 Ų119133.1 Ų133.183%0.83280%0.8SS**  trans-84.1165.7-165.1-62.90000114.7
182M43.5Very low36Very low174 Ų174134 Ų13486%0.85781%0.806SS**  trans-45.6137.1170.564-150.7171.900114.8
183E29.9Very low36.4Very low198 Ų198132 Ų13293%0.92580%0.797SS**  trans-145.1139.9143.9-120.2-171.3100.600109.8
184Q35Very low37.4Very low186 Ų186129.7 Ų129.787%0.86980%0.797SS**  trans-10292.9-172.8-67.1179.37.100110.1P186Q184-P186 WeakPolarHBondContact O-CD 3.44Å
185N34.8Very low38.3Very low157 Ų157131.8 Ų131.884%0.8479%0.794SS**PPolyproline II helixtrans-71.2117.2176.6-161.8-18.5000109.8
186P40.6Very low38.9Very low108 Ų108135.6 Ų135.670%0.70180%0.797SS**PPolyproline II helixtrans-69.7143-170.826.7-35000113.1Q184Q184-P186 WeakPolarHBondContact O-CD 3.44Å
187S36.2Very low39.7Very low109 Ų109134.6 Ų134.676%0.76280%0.798SS**PPolyproline II helixtrans-55.7137.6-179.7-660000113S189S187-S189 PolarHBondContact O-N 2.85Å
188P37.8Very low40.5Very low127 Ų127137 Ų13783%0.82579%0.793SS**PPolyproline II helixtrans-62.1130.5170.126.9-33.7000110
189S39.3Very low41.3Very low106 Ų106139.7 Ų139.774%0.74179%0.794SS**PPolyproline II helixtrans-64143.4-176.9-67.10000111.8S187 V191S187-S189 PolarHBondContact O-N 2.85Å; S189-V191 PolarHBondContact O-N 3.12Å; S189-V191 VanDerWaalsContact O-N 3.11Å
190P43Very low43Very low122 Ų122137.5 Ų137.579%0.79278%0.777SS**  trans-68.7111.8-178.927.8-34000110.9
191V43.9Very low45.2Very low133 Ų133137 Ų13781%0.80676%0.755SS**  trans-55.8126.8174.8-73.90000111.1S189 N193S189-V191 PolarHBondContact O-N 3.12Å; S189-V191 VanDerWaalsContact O-N 3.11Å; V191-N193 PolarHBondContact O-N 3.28Å
192P43.1Very low47.7Very low127 Ų127134 Ų13483%0.82574%0.737SS**  trans-63.6109.8178.6-24.635.2000111.6P194P192-P194 WeakPolarHBondContact O-CD 3.33Å
193N42.6Very low49.7Very low117 Ų117126 Ų12663%0.62670%0.698SS**  trans-65.7120.2177.3-179.2-18000110V191 N195V191-N193 PolarHBondContact O-N 3.28Å; N193-N195 PolarHBondContact O-N 2.88Å; N193-N195 WeakPolarHBondContact OD1-CB 3.24Å; N193-N195 PolarHBondContact OD1-N 3.42Å; N193-N195 VanDerWaalsContact OD1-N 3.1Å; N193-N195 PolarHBondContact OD1-ND2 3.31Å
194P52.9Low52.1Low120 Ų120126.2 Ų126.278%0.77970%0.699SS**  trans-738.7-174.830.8-36.8000114.5P192 Q196P192-P194 WeakPolarHBondContact O-CD 3.33Å; P194-Q196 VanDerWaalsContact C-N 3.34Å; P194-Q196 PolarHBondContact O-N 2.71Å
195N48.5Very low54.2Low137 Ų137120.8 Ų120.873%0.73369%0.686SS**  trans-69.790172.9-84.9-92.7000111.4N193N193-N195 PolarHBondContact O-N 2.88Å; N193-N195 WeakPolarHBondContact OD1-CB 3.24Å; N193-N195 PolarHBondContact OD1-N 3.42Å; N193-N195 VanDerWaalsContact OD1-N 3.1Å; N193-N195 PolarHBondContact OD1-ND2 3.31Å
196Q46.3Very low56.5Low174 Ų174115.5 Ų115.581%0.81366%0.661SS**  trans-15.7140.6167.4-63.5177.6-9.100116.1P194 R198P194-Q196 VanDerWaalsContact C-N 3.34Å; P194-Q196 PolarHBondContact O-N 2.71Å; Q196-R198 PolarHBondContact O-N 2.79Å
197V48.6Very low58.4Low142 Ų142113.4 Ų113.486%0.86166%0.659SS**  trans-52.199.2170.5-179.20000110.2K199V197-K199 PolarHBondContact O-N 3.15Å
198R53.8Low60.7Low179 Ų179113.9 Ų113.968%0.67565%0.648SS**  trans-56.4117.5170.8-87.2-176.2-88.7146-10107.9Q196 N200Q196-R198 PolarHBondContact O-N 2.79Å; R198-N200 PolarHBondContact O-N 2.94Å; R198-N200 PolarHBondContact O-ND2 3.28Å
199K51Low63Low187 Ų187110.6 Ų110.681%0.81363%0.631SS**  trans-64.283.6174.7-114.7173.9179.8171.60108.8V197 H201V197-K199 PolarHBondContact O-N 3.15Å; K199-H201 PolarHBondContact O-CD2 3.18Å; K199-H201 VanDerWaalsContact O-CD2 3.23Å; K199-H201 PolarHBondContact O-N 3.36Å; K199-H201 VanDerWaalsContact O-N 3.13Å
200N70.2Confident65.2Low92 Ų92107.8 Ų107.849%0.49261%0.606SS.*  trans-69108.7-172.6-79.5-39.6000109.3R198 A202 A209R198-N200 PolarHBondContact O-N 2.94Å; R198-N200 PolarHBondContact O-ND2 3.28Å; N200-A202 PolarHBondContact O-N 2.89Å; N200-A209 HydrophobicContact CB-CB 3.9Å
201H78.3Confident67.2Low64 Ų64111 Ų11130%0.29660%0.602SS.*EExtended strand (participates in β ladder)trans-73.889.9-180-68.5-75.7000109.4K199 F210 V213 L216K199-H201 PolarHBondContact O-CD2 3.18Å; K199-H201 VanDerWaalsContact O-CD2 3.23Å; K199-H201 PolarHBondContact O-N 3.36Å; K199-H201 VanDerWaalsContact O-N 3.13Å; H201-F210 PolarHBondContact N-O 2.93Å; H201-F210 PolarHBondContact O-N 3.49Å; H201-V213 WeakPolarHBondContact CE1-CG2 3.16Å; H201-L216 HydrophobicContact CB-CB 4.09Å; H201-L216 HydrophobicContact CB-CD2 3.86Å
202A82.6Confident69.2Low55 Ų55106.6 Ų106.646%0.45557%0.574SS.*EExtended strand (participates in β ladder)trans-76.6142.3-176.900000112.4N200 K208N200-A202 PolarHBondContact O-N 2.89Å; A202-K208 CarbonylContact C-O 3.33Å; A202-K208 WeakPolarHBondContact CA-O 3.32Å
203C85.1Confident71.2Confident5 Ų5104.8 Ų104.83%0.03456%0.56CS.*  trans-87.3106.9171.9-170.70000110.5A205 C206 G207 K208 F210 L216 H219C203-A205 PolarHBondContact O-N 3.38Å; C203-C206 CarbonylContact O-C 3.57Å; C203-C206 PolarHBondContact O-N 2.91Å; C203-G207 WeakPolarHBondContact O-CA 3.31Å; C203-G207 PolarHBondContact O-N 3.11Å; C203-K208 PolarHBondContact N-O 2.8Å; C203-F210 HydrophobicContact CB-CE2 4.23Å; C203-L216 HydrophobicContact CB-CD1 3.56Å; C203-H219 VanDerWaalsContact SG-CD2 3.6Å
204E80.9Confident73.2Confident203 Ų203107 Ų10795%0.94956%0.561SS**THydrogen-bonded Turntrans-50.3-31.1179.1-59.2172.216100113.7C206E204-C206 PolarHBondContact O-N 3.3Å
205A79.8Confident74.7Confident72 Ų72103.8 Ų103.860%0.59554%0.535SS*.THydrogen-bonded Turntrans-77.4-12.4-179.600000114.8C203C203-A205 PolarHBondContact O-N 3.38Å
206C82.9Confident76.5Confident47 Ų4798.5 Ų98.532%0.31851%0.507SS..THydrogen-bonded Turntrans-158.213.3-179.969.90000116.7C203 E204 K208 H219 H223C203-C206 CarbonylContact O-C 3.57Å; C203-C206 PolarHBondContact O-N 2.91Å; E204-C206 PolarHBondContact O-N 3.3Å; C206-K208 PolarHBondContact O-N 3.44Å; C206-K208 VanDerWaalsContact O-N 3.1Å; C206-H219 PolarHBondContact SG-NE2 3.42Å; C206-H223 WeakPolarHBondContact CB-NE2 3.33Å; C206-H223 PolarHBondContact SG-NE2 3.35Å
207G80.8Confident78.2Confident63 Ų6394 Ų9465%0.64949%0.488SS*.  trans70.3-3.4177.900000116.5C203 A209C203-G207 WeakPolarHBondContact O-CA 3.31Å; C203-G207 PolarHBondContact O-N 3.11Å; G207-A209 PolarHBondContact O-N 3.43Å
208K83.2Confident79.9Confident120 Ų12091.8 Ų91.852%0.52247%0.465SS..  trans-71.9118.7-172.5-69.7-179.4-175.9179.10112.2A202 C203 C206 F210A202-K208 CarbonylContact C-O 3.33Å; A202-K208 WeakPolarHBondContact CA-O 3.32Å; C203-K208 PolarHBondContact N-O 2.8Å; C206-K208 PolarHBondContact O-N 3.44Å; C206-K208 VanDerWaalsContact O-N 3.1Å; K208-F210 HydrophobicContact CB-CE2 3.69Å; K208-F210 HydrophobicContact CB-CZ 3.91Å; K208-F210 VanDerWaalsContact O-CD2 3.25Å; K208-F210 WeakPolarHBondContact O-CD2 3.08Å; K208-F210 WeakPolarHBondContact O-CE2 3.37Å
209A86.8Confident81.3Confident58 Ų5884.6 Ų84.648%0.47944%0.438SS..EExtended strand (participates in β ladder)trans-73.7139.2172.300000112.4N200 G207N200-A209 HydrophobicContact CB-CB 3.9Å; G207-A209 PolarHBondContact O-N 3.43Å
210F86.1Confident82.8Confident47 Ų4782.5 Ų82.521%0.20643%0.425CS..EExtended strand (participates in β ladder)trans-126.3151.5171.4-62.6-84.5000110.9H201 C203 K208 D212 H215 L216 H219H201-F210 PolarHBondContact N-O 2.93Å; H201-F210 PolarHBondContact O-N 3.49Å; C203-F210 HydrophobicContact CB-CE2 4.23Å; K208-F210 HydrophobicContact CB-CE2 3.69Å; K208-F210 HydrophobicContact CB-CZ 3.91Å; K208-F210 VanDerWaalsContact O-CD2 3.25Å; K208-F210 WeakPolarHBondContact O-CD2 3.08Å; K208-F210 WeakPolarHBondContact O-CE2 3.37Å; F210-D212 PolarHBondContact O-N 3.26Å; F210-H215 HydrophobicContact CB-CB 4.04Å; F210-H215 HydrophobicContact CD1-CB 4.01Å; F210-H215 HydrophobicContact CG-CB 4.31Å; F210-L216 HydrophobicContact CB-CB 4.2Å; F210-L216 HydrophobicContact CD2-CB 4.08Å; F210-L216 HydrophobicContact CD2-CD1 3.96Å; F210-L216 HydrophobicContact CE2-CD1 4.34Å; F210-L216 HydrophobicContact CG-CB 4.35Å; F210-H219 HydrophobicContact CE1-CB 3.99Å; F210-H219 HydrophobicContact CE2-CB 3.84Å; F210-H219 AromaticContact CE2-CD2 3.2Å; F210-H219 WeakPolarHBondContact CE2-CD2 3.28Å; F210-H219 AromaticContact CE2-CG 3.63Å; F210-H219 HydrophobicContact CZ-CB 3.5Å; F210-H219 AromaticContact CZ-CD2 3.31Å; F210-H219 WeakPolarHBondContact CZ-CD2 3.36Å; F210-H219 AromaticContact CZ-CG 3.28Å
211R85.1Confident83.3Confident189 Ų18980.4 Ų80.471%0.71341%0.414SS*.SBendtrans-66.9-23.8-178.2-171.3177.667.41764.4113.4
212D85.6Confident83.3Confident41 Ų4180.2 Ų80.222%0.21942%0.42CS..SBendtrans-153.7159.8-174.65671.7000111.2F210 Y214 H215 L216F210-D212 PolarHBondContact O-N 3.26Å; D212-Y214 VanDerWaalsContact C-N 3.25Å; D212-Y214 PolarHBondContact O-N 2.89Å; D212-Y214 WeakPolarHBondContact OD1-CB 3.01Å; D212-Y214 PolarHBondContact OD1-N 2.81Å; D212-H215 PolarHBondContact O-N 2.93Å; D212-H215 WeakPolarHBondContact OD1-CB 3.18Å; D212-H215 IonicContact OD1-CG 2.79Å; D212-H215 PolarHBondContact OD1-N 2.91Å; D212-H215 IonicContact OD1-ND1 3.63Å; D212-H215 PolarHBondContact OD1-ND1 3.05Å; D212-H215 IonicContact OD2-CE1 3.39Å; D212-H215 IonicContact OD2-CG 2.67Å; D212-H215 IonicContact OD2-ND1 3.16Å; D212-H215 PolarHBondContact OD2-ND1 2.56Å; D212-L216 PolarHBondContact O-N 2.87Å; D212-L216 VanDerWaalsContact O-N 3.16Å
213V85.3Confident83.1Confident89 Ų8981.9 Ų81.954%0.53942%0.418SS..Hα-helixtrans-60.7-33.4179.6-177.60000112H201 L216 N217H201-V213 WeakPolarHBondContact CE1-CG2 3.16Å; V213-L216 PolarHBondContact O-N 3.24Å; V213-N217 WeakPolarHBondContact O-CB 3.35Å; V213-N217 PolarHBondContact O-N 3.48Å
214Y84.4Confident82.5Confident164 Ų16483.3 Ų83.364%0.64343%0.428SS*.Hα-helixtrans-65.4-45.3-179.5169.5-107.1000111.7D212 N217 R218D212-Y214 VanDerWaalsContact C-N 3.25Å; D212-Y214 PolarHBondContact O-N 2.89Å; D212-Y214 WeakPolarHBondContact OD1-CB 3.01Å; D212-Y214 PolarHBondContact OD1-N 2.81Å; Y214-N217 PolarHBondContact O-N 3.36Å; Y214-R218 VanDerWaalsContact O-CB 3.29Å; Y214-R218 WeakPolarHBondContact O-CB 3.27Å; Y214-R218 PolarHBondContact O-N 2.74Å
215H84.2Confident82.2Confident52 Ų5277.9 Ų77.924%0.24141%0.406CS..Hα-helixtrans-66.2-38.4174.5-79.294.1000112.4F210 D212 R218 H219F210-H215 HydrophobicContact CB-CB 4.04Å; F210-H215 HydrophobicContact CD1-CB 4.01Å; F210-H215 HydrophobicContact CG-CB 4.31Å; D212-H215 PolarHBondContact O-N 2.93Å; D212-H215 WeakPolarHBondContact OD1-CB 3.18Å; D212-H215 IonicContact OD1-CG 2.79Å; D212-H215 PolarHBondContact OD1-N 2.91Å; D212-H215 IonicContact OD1-ND1 3.63Å; D212-H215 PolarHBondContact OD1-ND1 3.05Å; D212-H215 IonicContact OD2-CE1 3.39Å; D212-H215 IonicContact OD2-CG 2.67Å; D212-H215 IonicContact OD2-ND1 3.16Å; D212-H215 PolarHBondContact OD2-ND1 2.56Å; H215-R218 VanDerWaalsContact CD2-CZ 3.44Å; H215-R218 PolarHBondContact CD2-NH1 3.49Å; H215-R218 PolarHBondContact CD2-NH2 3.02Å; H215-R218 PolarHBondContact NE2-NH1 2.95Å; H215-R218 VanDerWaalsContact NE2-NH1 3.1Å; H215-H219 WeakPolarHBondContact O-CB 3.49Å; H215-H219 PolarHBondContact O-N 2.75Å
216L86Confident81.9Confident25 Ų2580.6 Ų80.613%0.13141%0.406CS..Hα-helixtrans-59.9-50170.417159.3000111.1H201 C203 F210 D212 V213 R218 H219 R220H201-L216 HydrophobicContact CB-CB 4.09Å; H201-L216 HydrophobicContact CB-CD2 3.86Å; C203-L216 HydrophobicContact CB-CD1 3.56Å; F210-L216 HydrophobicContact CB-CB 4.2Å; F210-L216 HydrophobicContact CD2-CB 4.08Å; F210-L216 HydrophobicContact CD2-CD1 3.96Å; F210-L216 HydrophobicContact CE2-CD1 4.34Å; F210-L216 HydrophobicContact CG-CB 4.35Å; D212-L216 PolarHBondContact O-N 2.87Å; D212-L216 VanDerWaalsContact O-N 3.16Å; V213-L216 PolarHBondContact O-N 3.24Å; L216-R218 PolarHBondContact O-N 2.89Å; L216-H219 CarbonylContact O-C 3.45Å; L216-H219 WeakPolarHBondContact O-CA 3.38Å; L216-H219 WeakPolarHBondContact O-CB 3.19Å; L216-H219 PolarHBondContact O-N 3.16Å; L216-R220 HydrophobicContact CD1-CG 4.26Å; L216-R220 WeakPolarHBondContact O-CG 3.34Å; L216-R220 PolarHBondContact O-N 3.23Å
217N82.8Confident81.8Confident79 Ų7982.7 Ų82.742%0.42241%0.41SS..Hα-helixtrans-67.4-38.6-177.3-159.231.6000112V213 Y214 H219 R220 L221V213-N217 WeakPolarHBondContact O-CB 3.35Å; V213-N217 PolarHBondContact O-N 3.48Å; Y214-N217 PolarHBondContact O-N 3.36Å; N217-H219 PolarHBondContact O-N 2.6Å; N217-R220 WeakPolarHBondContact O-CB 3.01Å; N217-R220 PolarHBondContact O-N 3.24Å; N217-R220 VanDerWaalsContact O-N 3.11Å; N217-R220 PolarHBondContact OD1-NH1 2.89Å; N217-L221 PolarHBondContact O-N 3.04Å
218R82.4Confident81.8Confident97 Ų9783.3 Ų83.337%0.36640%0.403SS..Hα-helixtrans-59.9-27.6169.7-163.8-173.678.6-163.61.5112.4Y214 H215 L216Y214-R218 VanDerWaalsContact O-CB 3.29Å; Y214-R218 WeakPolarHBondContact O-CB 3.27Å; Y214-R218 PolarHBondContact O-N 2.74Å; H215-R218 VanDerWaalsContact CD2-CZ 3.44Å; H215-R218 PolarHBondContact CD2-NH1 3.49Å; H215-R218 PolarHBondContact CD2-NH2 3.02Å; H215-R218 PolarHBondContact NE2-NH1 2.95Å; H215-R218 VanDerWaalsContact NE2-NH1 3.1Å; L216-R218 PolarHBondContact O-N 2.89Å
219H84Confident81.7Confident27 Ų2781.7 Ų81.713%0.12539%0.394CS..Hα-helixtrans-84.3-32.3173174.956.1000113.4C203 C206 F210 H215 L216 N217 L221 S222C203-H219 VanDerWaalsContact SG-CD2 3.6Å; C206-H219 PolarHBondContact SG-NE2 3.42Å; F210-H219 HydrophobicContact CE1-CB 3.99Å; F210-H219 HydrophobicContact CE2-CB 3.84Å; F210-H219 AromaticContact CE2-CD2 3.2Å; F210-H219 WeakPolarHBondContact CE2-CD2 3.28Å; F210-H219 AromaticContact CE2-CG 3.63Å; F210-H219 HydrophobicContact CZ-CB 3.5Å; F210-H219 AromaticContact CZ-CD2 3.31Å; F210-H219 WeakPolarHBondContact CZ-CD2 3.36Å; F210-H219 AromaticContact CZ-CG 3.28Å; H215-H219 WeakPolarHBondContact O-CB 3.49Å; H215-H219 PolarHBondContact O-N 2.75Å; L216-H219 CarbonylContact O-C 3.45Å; L216-H219 WeakPolarHBondContact O-CA 3.38Å; L216-H219 WeakPolarHBondContact O-CB 3.19Å; L216-H219 PolarHBondContact O-N 3.16Å; N217-H219 PolarHBondContact O-N 2.6Å; H219-L221 PolarHBondContact O-N 3.45Å; H219-S222 PolarHBondContact CE1-OG 2.78Å; H219-S222 VanDerWaalsContact CE1-OG 3.27Å; H219-S222 PolarHBondContact ND1-OG 3.22Å; H219-S222 WeakPolarHBondContact O-CA 3.4Å; H219-S222 VanDerWaalsContact O-CB 3.25Å; H219-S222 WeakPolarHBondContact O-CB 3.25Å; H219-S222 PolarHBondContact O-N 3.15Å; H219-S222 PolarHBondContact O-OG 2.89Å
220R81.9Confident81.7Confident143 Ų14381.6 Ų81.654%0.5439%0.39SS..Hα-helixtrans-56.7-38.7171-69.1171.574.7-120.27.7111.5L216 N217 S222 H223 S224L216-R220 HydrophobicContact CD1-CG 4.26Å; L216-R220 WeakPolarHBondContact O-CG 3.34Å; L216-R220 PolarHBondContact O-N 3.23Å; N217-R220 WeakPolarHBondContact O-CB 3.01Å; N217-R220 PolarHBondContact O-N 3.24Å; N217-R220 VanDerWaalsContact O-N 3.11Å; N217-R220 PolarHBondContact OD1-NH1 2.89Å; R220-S222 PolarHBondContact O-N 2.98Å; R220-S222 VanDerWaalsContact O-N 3.08Å; R220-H223 PolarHBondContact O-N 2.98Å; R220-S224 PolarHBondContact O-N 3.17Å
221L81.1Confident81.7Confident49 Ų4979.4 Ų79.426%0.25738%0.38SS..Hα-helixtrans-57.5-20170.1-66.4172.8000114N217 H219 K239N217-L221 PolarHBondContact O-N 3.04Å; H219-L221 PolarHBondContact O-N 3.45Å; L221-K239 VanDerWaalsContact O-CD 3.28Å; L221-K239 WeakPolarHBondContact O-CD 3.39Å; L221-K239 WeakPolarHBondContact O-CE 3.42Å; L221-K239 PolarHBondContact O-NZ 3.02Å
222S78.3Confident81.4Confident60 Ų6074.8 Ų74.842%0.4237%0.374SS..Hα-helixtrans-74.6-29.1173.376.10000112.8H219 R220 K239H219-S222 PolarHBondContact CE1-OG 2.78Å; H219-S222 VanDerWaalsContact CE1-OG 3.27Å; H219-S222 PolarHBondContact ND1-OG 3.22Å; H219-S222 WeakPolarHBondContact O-CA 3.4Å; H219-S222 VanDerWaalsContact O-CB 3.25Å; H219-S222 WeakPolarHBondContact O-CB 3.25Å; H219-S222 PolarHBondContact O-N 3.15Å; H219-S222 PolarHBondContact O-OG 2.89Å; R220-S222 PolarHBondContact O-N 2.98Å; R220-S222 VanDerWaalsContact O-N 3.08Å; S222-K239 PolarHBondContact O-NZ 2.63Å
223H77.6Confident81.2Confident89 Ų8977.2 Ų77.241%0.41239%0.39SS..Hα-helixtrans-83.8-37.4178.1-61.9-63.4000113.7C206 R220C206-H223 WeakPolarHBondContact CB-NE2 3.33Å; C206-H223 PolarHBondContact SG-NE2 3.35Å; R220-H223 PolarHBondContact O-N 2.98Å
224S74.3Confident81.1Confident36 Ų3675.8 Ų75.825%0.25238%0.384SS..SBendtrans-76.4143.7174.3179.70000111.5R220 E226 K239R220-S224 PolarHBondContact O-N 3.17Å; S224-E226 WeakPolarHBondContact CB-OE2 3.33Å; S224-E226 PolarHBondContact O-N 2.75Å; S224-E226 WeakPolarHBondContact OG-CB 3.41Å; S224-E226 WeakPolarHBondContact OG-CG 3.49Å; S224-E226 PolarHBondContact OG-N 3.25Å; S224-E226 VanDerWaalsContact OG-N 3.16Å; S224-E226 PolarHBondContact OG-OE2 3.25Å; S224-K239 WeakPolarHBondContact O-CE 3.44Å; S224-K239 PolarHBondContact O-NZ 3.27Å
225D73.9Confident81.1Confident88 Ų8874.1 Ų74.147%0.47138%0.382SS..  trans-72.6-10.5171-69.4-65.5000113.8Y84 K227Y84-D225 WeakPolarHBondContact CD2-OD2 3.47Å; Y84-D225 WeakPolarHBondContact CE2-OD2 3.34Å; D225-K227 WeakPolarHBondContact O-CG 3.28Å; D225-K227 PolarHBondContact O-N 3.3Å
226E73.8Confident81.1Confident129 Ų12976.5 Ų76.560%0.60339%0.393SS*.  trans-54.4121-177.6-70.9162.9132.400111.5S224 P228S224-E226 WeakPolarHBondContact CB-OE2 3.33Å; S224-E226 PolarHBondContact O-N 2.75Å; S224-E226 WeakPolarHBondContact OG-CB 3.41Å; S224-E226 WeakPolarHBondContact OG-CG 3.49Å; S224-E226 PolarHBondContact OG-N 3.25Å; S224-E226 VanDerWaalsContact OG-N 3.16Å; S224-E226 PolarHBondContact OG-OE2 3.25Å; E226-P228 VanDerWaalsContact C-CD 3.49Å; E226-P228 WeakPolarHBondContact O-CD 3.49Å
227K80.8Confident81Confident92 Ų9282.4 Ų82.440%0.441%0.414SS..  trans-11881.3175.4-71.3153.4175.7177.20107.3D225 Y229 R237 F238 K239D225-K227 WeakPolarHBondContact O-CG 3.28Å; D225-K227 PolarHBondContact O-N 3.3Å; K227-Y229 PolarHBondContact O-N 3.5Å; K227-R237 HydrophobicContact CB-CB 3.47Å; K227-R237 VanDerWaalsContact CB-CB 3.47Å; K227-R237 HydrophobicContact CD-CB 4.13Å; K227-R237 WeakPolarHBondContact CD-O 3.36Å; K227-R237 HydrophobicContact CG-CB 4.36Å; K227-R237 PolarHBondContact O-NE 2.81Å; K227-R237 PolarHBondContact O-NH2 2.97Å; K227-F238 CarbonylContact C-O 3.29Å; K227-F238 VanDerWaalsContact C-O 3.29Å; K227-F238 VanDerWaalsContact CA-O 3.25Å; K227-F238 WeakPolarHBondContact CA-O 3.25Å; K227-K239 HydrophobicContact CG-CG 3.76Å
228P80.3Confident81.1Confident76 Ų7680.3 Ų80.349%0.49440%0.401SS..  trans-69.8-12.9-172.224.4-32000114E226E226-P228 VanDerWaalsContact C-CD 3.49Å; E226-P228 WeakPolarHBondContact O-CD 3.49Å
229Y81.8Confident81.1Confident86 Ų8678.6 Ų78.634%0.33740%0.396SS..EExtended strand (participates in β ladder)trans-106.1108.8-177.6-57.3-78.9000111.1K227 R237 F238 K241K227-Y229 PolarHBondContact O-N 3.5Å; Y229-R237 CarbonylContact O-C 3.54Å; Y229-R237 WeakPolarHBondContact O-CA 3.31Å; Y229-F238 PolarHBondContact N-O 3.18Å; Y229-F238 PolarHBondContact O-N 3.37Å; Y229-K241 HydrophobicContact CD1-CB 3.87Å; Y229-K241 HydrophobicContact CD1-CG 4.09Å; Y229-K241 HydrophobicContact CE1-CB 3.54Å; Y229-K241 HydrophobicContact CE1-CD 4.28Å; Y229-K241 HydrophobicContact CE1-CG 3.9Å; Y229-K241 HydrophobicContact CE2-CB 4.38Å; Y229-K241 HydrophobicContact CG-CB 4.42Å
230S86.4Confident81Confident56 Ų5681.2 Ų81.239%0.39241%0.405SS..EExtended strand (participates in β ladder)trans-94.1138.8174.141.80000111.9
231C84.9Confident81Confident0 Ų081 Ų810%041%0.408CS..  trans-70.4122.5168.3-179.80000110.1V233 Q235 Q236 F238 H247C231-V233 PolarHBondContact O-N 2.81Å; C231-Q235 WeakPolarHBondContact O-CA 3.2Å; C231-Q235 PolarHBondContact O-N 3.23Å; C231-Q236 HydrophobicContact CB-CB 4.49Å; C231-Q236 WeakPolarHBondContact CB-O 3.36Å; C231-Q236 PolarHBondContact N-O 3.31Å; C231-F238 HydrophobicContact CB-CE2 4.23Å; C231-H247 PolarHBondContact SG-CD2 3.11Å; C231-H247 PolarHBondContact SG-NE2 3.2Å; C231-H247 VanDerWaalsContact SG-NE2 3.42Å
232P80.6Confident81.1Confident92 Ų9281 Ų8160%0.59741%0.408SS*.THydrogen-bonded Turntrans-63.3-25.4178.824.6-34.5000113.6V248P232-V248 HydrophobicContact CG-CG2 4.4Å
233V81.4Confident81.2Confident92 Ų9281.8 Ų81.856%0.55840%0.402SS*.THydrogen-bonded Turntrans-81.5-42.4-175.2-1710000112.8C231 H251C231-V233 PolarHBondContact O-N 2.81Å; V233-H251 HydrophobicContact CB-CB 4.34Å; V233-H251 HydrophobicContact CG1-CB 4.02Å; V233-H251 HydrophobicContact CG2-CB 4.18Å
234C82.4Confident81.7Confident60 Ų6079.1 Ų79.141%0.40539%0.39SS..THydrogen-bonded Turntrans-128.27.8-173.970.90000114.6Q236 H247C234-Q236 PolarHBondContact O-N 2.83Å; C234-Q236 VanDerWaalsContact SG-CB 3.58Å; C234-H247 PolarHBondContact SG-NE2 3.33Å
235Q83.3Confident82.1Confident128 Ų12879.7 Ų79.760%0.59839%0.394SS*.  trans56.411-178.2-55.9-63.9-5.800115.8C231 R237C231-Q235 WeakPolarHBondContact O-CA 3.2Å; C231-Q235 PolarHBondContact O-N 3.23Å; Q235-R237 PolarHBondContact O-N 3.01Å
236Q84.4Confident82.2Confident102 Ų10279 Ų7948%0.47739%0.385SS..  trans-62.2126.9173.9-171.5173.317.500110.1C231 C234 F238 H247C231-Q236 HydrophobicContact CB-CB 4.49Å; C231-Q236 WeakPolarHBondContact CB-O 3.36Å; C231-Q236 PolarHBondContact N-O 3.31Å; C234-Q236 PolarHBondContact O-N 2.83Å; C234-Q236 VanDerWaalsContact SG-CB 3.58Å; Q236-F238 HydrophobicContact CB-CE2 3.93Å; Q236-F238 HydrophobicContact CB-CZ 4.21Å; Q236-F238 HydrophobicContact CG-CE2 3.85Å; Q236-F238 HydrophobicContact CG-CZ 3.75Å; Q236-F238 VanDerWaalsContact O-CD2 3.28Å; Q236-F238 WeakPolarHBondContact O-CD2 3.44Å; Q236-F238 WeakPolarHBondContact O-CE2 3.45Å; Q236-H247 PolarHBondContact OE1-CE1 2.97Å
237R84.8Confident82.6Confident149 Ų14974.4 Ų74.456%0.56236%0.364SS*.EExtended strand (participates in β ladder)trans-97.9135.7-175.4-56.5-177.362.4168.33112.3K227 Y229 Q235K227-R237 HydrophobicContact CB-CB 3.47Å; K227-R237 VanDerWaalsContact CB-CB 3.47Å; K227-R237 HydrophobicContact CD-CB 4.13Å; K227-R237 WeakPolarHBondContact CD-O 3.36Å; K227-R237 HydrophobicContact CG-CB 4.36Å; K227-R237 PolarHBondContact O-NE 2.81Å; K227-R237 PolarHBondContact O-NH2 2.97Å; Y229-R237 CarbonylContact O-C 3.54Å; Y229-R237 WeakPolarHBondContact O-CA 3.31Å; Q235-R237 PolarHBondContact O-N 3.01Å
238F83.9Confident82.7Confident35 Ų3571.9 Ų71.915%0.15436%0.356CS..EExtended strand (participates in β ladder)trans-121.1150.2-176.3-62.3-90.2000112.3K227 Y229 C231 Q236 R240 R243 M244 H247K227-F238 CarbonylContact C-O 3.29Å; K227-F238 VanDerWaalsContact C-O 3.29Å; K227-F238 VanDerWaalsContact CA-O 3.25Å; K227-F238 WeakPolarHBondContact CA-O 3.25Å; Y229-F238 PolarHBondContact N-O 3.18Å; Y229-F238 PolarHBondContact O-N 3.37Å; C231-F238 HydrophobicContact CB-CE2 4.23Å; Q236-F238 HydrophobicContact CB-CE2 3.93Å; Q236-F238 HydrophobicContact CB-CZ 4.21Å; Q236-F238 HydrophobicContact CG-CE2 3.85Å; Q236-F238 HydrophobicContact CG-CZ 3.75Å; Q236-F238 VanDerWaalsContact O-CD2 3.28Å; Q236-F238 WeakPolarHBondContact O-CD2 3.44Å; Q236-F238 WeakPolarHBondContact O-CE2 3.45Å; F238-R240 VanDerWaalsContact C-N 3.32Å; F238-R240 PolarHBondContact O-N 2.95Å; F238-R243 HydrophobicContact CD1-CB 4.16Å; F238-M244 HydrophobicContact CB-CB 4.12Å; F238-M244 HydrophobicContact CD2-CB 3.89Å; F238-M244 HydrophobicContact CD2-CG 4.16Å; F238-M244 HydrophobicContact CG-CB 4.14Å; F238-H247 HydrophobicContact CE1-CB 4.08Å; F238-H247 HydrophobicContact CE2-CB 4.08Å; F238-H247 AromaticContact CE2-CD2 3.42Å; F238-H247 VanDerWaalsContact CE2-CD2 3.42Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.42Å; F238-H247 AromaticContact CE2-CG 3.76Å; F238-H247 HydrophobicContact CZ-CB 3.58Å; F238-H247 AromaticContact CZ-CD2 3.44Å; F238-H247 VanDerWaalsContact CZ-CD2 3.44Å; F238-H247 WeakPolarHBondContact CZ-CD2 3.49Å; F238-H247 AromaticContact CZ-CG 3.3Å; F238-H247 AromaticContact CZ-ND1 3.78Å; F238-H247 AromaticContact CZ-NE2 3.97Å
239K83.1Confident82.4Confident61 Ų6174.9 Ų74.927%0.26536%0.358SS..SBendtrans-79.2-7.9177-65.5-173.6157.8-1560114.2L221 S222 S224 K227L221-K239 VanDerWaalsContact O-CD 3.28Å; L221-K239 WeakPolarHBondContact O-CD 3.39Å; L221-K239 WeakPolarHBondContact O-CE 3.42Å; L221-K239 PolarHBondContact O-NZ 3.02Å; S222-K239 PolarHBondContact O-NZ 2.63Å; S224-K239 WeakPolarHBondContact O-CE 3.44Å; S224-K239 PolarHBondContact O-NZ 3.27Å; K227-K239 HydrophobicContact CG-CG 3.76Å
240R82.7Confident82.1Confident82 Ų8273.8 Ų73.831%0.30936%0.362SS..SBendtrans-148143.3-175.2-67166.347.9149-6.5111.9F238 D242 R243 M244F238-R240 VanDerWaalsContact C-N 3.32Å; F238-R240 PolarHBondContact O-N 2.95Å; R240-D242 WeakPolarHBondContact CB-OD1 3.45Å; R240-D242 IonicContact CZ-OD1 3.72Å; R240-D242 IonicContact CZ-OD2 3.33Å; R240-D242 IonicContact NE-OD1 3.82Å; R240-D242 PolarHBondContact NE-OD1 2.81Å; R240-D242 IonicContact NE-OD2 2.76Å; R240-D242 IonicContact NH2-OD1 2.86Å; R240-D242 PolarHBondContact NH2-OD1 2.67Å; R240-D242 IonicContact NH2-OD2 3.06Å; R240-D242 PolarHBondContact NH2-OD2 2.81Å; R240-R243 HydrophobicContact CB-CB 4.35Å; R240-R243 HydrophobicContact CB-CG 4.1Å; R240-R243 PolarHBondContact O-N 3.04Å; R240-M244 PolarHBondContact O-N 2.96Å
241K82.3Confident81.6Confident139 Ų13974.8 Ų74.860%0.60436%0.361SS*.Hα-helixtrans-58.4-47.6178.4-164175.5-179.7178.80112.4Y229 R243 M244 S245Y229-K241 HydrophobicContact CD1-CB 3.87Å; Y229-K241 HydrophobicContact CD1-CG 4.09Å; Y229-K241 HydrophobicContact CE1-CB 3.54Å; Y229-K241 HydrophobicContact CE1-CD 4.28Å; Y229-K241 HydrophobicContact CE1-CG 3.9Å; Y229-K241 HydrophobicContact CE2-CB 4.38Å; Y229-K241 HydrophobicContact CG-CB 4.42Å; K241-R243 VanDerWaalsContact C-N 3.32Å; K241-R243 PolarHBondContact O-N 3.27Å; K241-M244 WeakPolarHBondContact O-CB 3.39Å; K241-M244 PolarHBondContact O-N 3.46Å; K241-S245 PolarHBondContact O-N 2.93Å; K241-S245 PolarHBondContact O-OG 2.96Å
242D81.4Confident80.8Confident49 Ų4982.6 Ų82.626%0.26240%0.397SS..Hα-helixtrans-58.9-42.2179.672.4-59.4000112.3R240 M244 S245 Y246R240-D242 WeakPolarHBondContact CB-OD1 3.45Å; R240-D242 IonicContact CZ-OD1 3.72Å; R240-D242 IonicContact CZ-OD2 3.33Å; R240-D242 IonicContact NE-OD1 3.82Å; R240-D242 PolarHBondContact NE-OD1 2.81Å; R240-D242 IonicContact NE-OD2 2.76Å; R240-D242 IonicContact NH2-OD1 2.86Å; R240-D242 PolarHBondContact NH2-OD1 2.67Å; R240-D242 IonicContact NH2-OD2 3.06Å; R240-D242 PolarHBondContact NH2-OD2 2.81Å; D242-M244 PolarHBondContact O-N 3.25Å; D242-S245 PolarHBondContact O-N 3.47Å; D242-Y246 WeakPolarHBondContact O-CD2 3.48Å; D242-Y246 PolarHBondContact O-N 3.08Å
243R82.1Confident79.9Confident77 Ų7781.5 Ų81.529%0.29140%0.403SS..Hα-helixtrans-67.6-36.2180-62.1-52.2-165.4-13619.3112F238 R240 K241 H247 D272F238-R243 HydrophobicContact CD1-CB 4.16Å; R240-R243 HydrophobicContact CB-CB 4.35Å; R240-R243 HydrophobicContact CB-CG 4.1Å; R240-R243 PolarHBondContact O-N 3.04Å; K241-R243 VanDerWaalsContact C-N 3.32Å; K241-R243 PolarHBondContact O-N 3.27Å; R243-H247 WeakPolarHBondContact O-CB 3.14Å; R243-H247 PolarHBondContact O-N 3.09Å; R243-D272 IonicContact NH2-OD1 3.9Å
244M87.3Confident78.8Confident32 Ų3279.7 Ų79.716%0.15840%0.403CS..Hα-helixtrans-64.1-50.4169.3-179-152.67500110.8F238 R240 K241 D242 Y246 H247 V248F238-M244 HydrophobicContact CB-CB 4.12Å; F238-M244 HydrophobicContact CD2-CB 3.89Å; F238-M244 HydrophobicContact CD2-CG 4.16Å; F238-M244 HydrophobicContact CG-CB 4.14Å; R240-M244 PolarHBondContact O-N 2.96Å; K241-M244 WeakPolarHBondContact O-CB 3.39Å; K241-M244 PolarHBondContact O-N 3.46Å; D242-M244 PolarHBondContact O-N 3.25Å; M244-Y246 PolarHBondContact O-N 3.15Å; M244-H247 CarbonylContact O-C 3.43Å; M244-H247 WeakPolarHBondContact O-CA 3.25Å; M244-H247 WeakPolarHBondContact O-CB 3.09Å; M244-H247 PolarHBondContact O-N 3.13Å; M244-V248 HydrophobicContact CG-CG2 4.37Å; M244-V248 WeakPolarHBondContact O-CG2 3.16Å; M244-V248 PolarHBondContact O-N 3.25Å
245S82.4Confident77.9Confident48 Ų4879.6 Ų79.634%0.33640%0.4SS..Hα-helixtrans-60.6-42.6-178.1-62.70000113.4K241 D242 H247 V248 R249K241-S245 PolarHBondContact O-N 2.93Å; K241-S245 PolarHBondContact O-OG 2.96Å; D242-S245 PolarHBondContact O-N 3.47Å; S245-H247 VanDerWaalsContact C-N 3.28Å; S245-H247 PolarHBondContact O-N 2.92Å; S245-V248 PolarHBondContact O-N 3.15Å; S245-R249 WeakPolarHBondContact O-CG 3.23Å; S245-R249 PolarHBondContact O-N 3.05Å; S245-R249 VanDerWaalsContact O-N 3.14Å
246Y76.4Confident77Confident73 Ų7380.3 Ų80.329%0.28640%0.403SS..Hα-helixtrans-63.5-33.8173-80.8-64.4000112.7D242 M244 S269 R270D242-Y246 WeakPolarHBondContact O-CD2 3.48Å; D242-Y246 PolarHBondContact O-N 3.08Å; M244-Y246 PolarHBondContact O-N 3.15Å; Y246-S269 WeakPolarHBondContact CE1-O 3.15Å; Y246-R270 HydrophobicContact CD1-CG 4.22Å; Y246-R270 HydrophobicContact CD2-CG 4.29Å; Y246-R270 HydrophobicContact CE1-CG 4.01Å; Y246-R270 HydrophobicContact CE2-CG 4.08Å; Y246-R270 HydrophobicContact CG-CG 4.37Å
247H82.6Confident76.4Confident33 Ų3380.9 Ų80.915%0.15340%0.404CS..Hα-helixtrans-74.3-38175.7167.480.7000112.4C231 C234 Q236 F238 R243 M244 S245 R249 S250 H251C231-H247 PolarHBondContact SG-CD2 3.11Å; C231-H247 PolarHBondContact SG-NE2 3.2Å; C231-H247 VanDerWaalsContact SG-NE2 3.42Å; C234-H247 PolarHBondContact SG-NE2 3.33Å; Q236-H247 PolarHBondContact OE1-CE1 2.97Å; F238-H247 HydrophobicContact CE1-CB 4.08Å; F238-H247 HydrophobicContact CE2-CB 4.08Å; F238-H247 AromaticContact CE2-CD2 3.42Å; F238-H247 VanDerWaalsContact CE2-CD2 3.42Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.42Å; F238-H247 AromaticContact CE2-CG 3.76Å; F238-H247 HydrophobicContact CZ-CB 3.58Å; F238-H247 AromaticContact CZ-CD2 3.44Å; F238-H247 VanDerWaalsContact CZ-CD2 3.44Å; F238-H247 WeakPolarHBondContact CZ-CD2 3.49Å; F238-H247 AromaticContact CZ-CG 3.3Å; F238-H247 AromaticContact CZ-ND1 3.78Å; F238-H247 AromaticContact CZ-NE2 3.97Å; R243-H247 WeakPolarHBondContact O-CB 3.14Å; R243-H247 PolarHBondContact O-N 3.09Å; M244-H247 CarbonylContact O-C 3.43Å; M244-H247 WeakPolarHBondContact O-CA 3.25Å; M244-H247 WeakPolarHBondContact O-CB 3.09Å; M244-H247 PolarHBondContact O-N 3.13Å; S245-H247 VanDerWaalsContact C-N 3.28Å; S245-H247 PolarHBondContact O-N 2.92Å; H247-R249 VanDerWaalsContact C-N 3.29Å; H247-R249 PolarHBondContact O-N 3.4Å; H247-S250 WeakPolarHBondContact O-CB 3.23Å; H247-S250 PolarHBondContact O-N 2.9Å; H247-S250 PolarHBondContact O-OG 2.84Å; H247-H251 AromaticContact CD2-NE2 3.75Å; H247-H251 AromaticContact CE1-NE2 3.29Å; H247-H251 PolarHBondContact CE1-NE2 3.27Å; H247-H251 VanDerWaalsContact CE1-NE2 3.29Å; H247-H251 AromaticContact NE2-CD2 3.9Å; H247-H251 AromaticContact NE2-CE1 3.98Å; H247-H251 AromaticContact NE2-NE2 2.99Å; H247-H251 PolarHBondContact NE2-NE2 2.93Å; H247-H251 PolarHBondContact O-CD2 3.45Å; H247-H251 VanDerWaalsContact O-CD2 3.29Å
248V81.3Confident75.8Confident40 Ų4078 Ų7824%0.24241%0.405CS..Hα-helixtrans-57.5-44.3172.9172.50000110.4P232 M244 S245 S250 H251P232-V248 HydrophobicContact CG-CG2 4.4Å; M244-V248 HydrophobicContact CG-CG2 4.37Å; M244-V248 WeakPolarHBondContact O-CG2 3.16Å; M244-V248 PolarHBondContact O-N 3.25Å; S245-V248 PolarHBondContact O-N 3.15Å; V248-S250 PolarHBondContact O-N 2.97Å; V248-S250 VanDerWaalsContact O-N 3.1Å; V248-H251 PolarHBondContact O-N 3.3Å
249R75.4Confident75.6Confident139 Ų13980 Ų8053%0.52541%0.412SS..THydrogen-bonded Turntrans-59.7-19.1173.8-68.1178.5-176.4-160-0.5114.4S245 H247S245-R249 WeakPolarHBondContact O-CG 3.23Å; S245-R249 PolarHBondContact O-N 3.05Å; S245-R249 VanDerWaalsContact O-N 3.14Å; H247-R249 VanDerWaalsContact C-N 3.29Å; H247-R249 PolarHBondContact O-N 3.4Å
250S75.8Confident75.5Confident62 Ų6282 Ų8243%0.43443%0.425SS..THydrogen-bonded Turntrans-80.2-12.7174.871.10000114.8H247 V248H247-S250 WeakPolarHBondContact O-CB 3.23Å; H247-S250 PolarHBondContact O-N 2.9Å; H247-S250 PolarHBondContact O-OG 2.84Å; V248-S250 PolarHBondContact O-N 2.97Å; V248-S250 VanDerWaalsContact O-N 3.1Å
251H74.6Confident75.7Confident77 Ų7778.2 Ų78.236%0.35641%0.41SS..THydrogen-bonded Turntrans-84.6-25.5172.9-65-84.6000112.8V233 H247 V248 G253V233-H251 HydrophobicContact CB-CB 4.34Å; V233-H251 HydrophobicContact CG1-CB 4.02Å; V233-H251 HydrophobicContact CG2-CB 4.18Å; H247-H251 AromaticContact CD2-NE2 3.75Å; H247-H251 AromaticContact CE1-NE2 3.29Å; H247-H251 PolarHBondContact CE1-NE2 3.27Å; H247-H251 VanDerWaalsContact CE1-NE2 3.29Å; H247-H251 AromaticContact NE2-CD2 3.9Å; H247-H251 AromaticContact NE2-CE1 3.98Å; H247-H251 AromaticContact NE2-NE2 2.99Å; H247-H251 PolarHBondContact NE2-NE2 2.93Å; H247-H251 PolarHBondContact O-CD2 3.45Å; H247-H251 VanDerWaalsContact O-CD2 3.29Å; V248-H251 PolarHBondContact O-N 3.3Å; H251-G253 PolarHBondContact O-N 3.42Å; H251-G253 VanDerWaalsContact O-N 3.08Å
252Q69.3Low75.5Confident165 Ų16576.6 Ų76.677%0.77141%0.414SS*.SBendtrans-76.69.3-174.8-152.665.752.300114G254Q252-G254 PolarHBondContact O-N 2.87Å
253G61.8Low75.5Confident69 Ų6980 Ų8071%0.71143%0.428SS*.SBendtrans71.8-50-17600000114.1H251 V255H251-G253 PolarHBondContact O-N 3.42Å; H251-G253 VanDerWaalsContact O-N 3.08Å; G253-V255 PolarHBondContact O-N 3.46Å
254G57.6Low75.5Confident54 Ų5478.2 Ų78.256%0.55743%0.427SS*.  trans-76.683174.200000112.7Q252 E256Q252-G254 PolarHBondContact O-N 2.87Å; G254-E256 PolarHBondContact O-N 2.74Å
255V63.5Low75.1Confident58 Ų5881.4 Ų81.435%0.35245%0.453SS..  trans-71.289.7160.2-178.60000107.9G253 K257G253-V255 PolarHBondContact O-N 3.46Å; V255-K257 HydrophobicContact CG1-CG 4.37Å; V255-K257 WeakPolarHBondContact O-CG 3.22Å; V255-K257 PolarHBondContact O-N 3.16Å
256E63.6Low75.1Confident143 Ų14385.3 Ų85.367%0.66846%0.464SS*.  trans-52.7131166.6-69.5-171144.900109.7G254 P258G254-E256 PolarHBondContact O-N 2.74Å; E256-P258 VanDerWaalsContact O-CD 3.27Å; E256-P258 WeakPolarHBondContact O-CD 3.42Å
257K72.4Confident75.2Confident114 Ų11483.6 Ų83.650%0.49646%0.464SS..  trans-120.763.4-176-75156.1165.4-1770110V255 Y259 A267 F268V255-K257 HydrophobicContact CG1-CG 4.37Å; V255-K257 WeakPolarHBondContact O-CG 3.22Å; V255-K257 PolarHBondContact O-N 3.16Å; K257-Y259 PolarHBondContact O-N 3.04Å; K257-A267 HydrophobicContact CB-CB 3.49Å; K257-A267 VanDerWaalsContact CB-CB 3.49Å; K257-A267 HydrophobicContact CD-CB 4.07Å; K257-A267 VanDerWaalsContact CD-O 3.29Å; K257-A267 WeakPolarHBondContact CD-O 3.19Å; K257-A267 HydrophobicContact CG-CB 4.33Å; K257-A267 WeakPolarHBondContact CG-O 3.42Å; K257-F268 CarbonylContact C-O 3.26Å; K257-F268 VanDerWaalsContact C-O 3.26Å; K257-F268 WeakPolarHBondContact CA-O 3.31Å
258P73.2Confident75.2Confident88 Ų8884.3 Ų84.357%0.57147%0.467SS*.  trans-65.6-10-17428.3-36000113.6E256 I260E256-P258 VanDerWaalsContact O-CD 3.27Å; E256-P258 WeakPolarHBondContact O-CD 3.42Å; P258-I260 PolarHBondContact O-N 3.1Å
259Y78.3Confident75.1Confident78 Ų7884.3 Ų84.331%0.30647%0.469SS..EExtended strand (participates in β ladder)trans-96.381.1178.2-52-72.9000110.2K257 F268 R270 P271K257-Y259 PolarHBondContact O-N 3.04Å; Y259-F268 WeakPolarHBondContact CB-O 2.96Å; Y259-F268 WeakPolarHBondContact CD2-O 3.39Å; Y259-F268 PolarHBondContact N-O 3.43Å; Y259-F268 PolarHBondContact O-N 3.19Å; Y259-R270 VanDerWaalsContact CD2-C 3.41Å; Y259-P271 HydrophobicContact CD1-CB 3.86Å; Y259-P271 HydrophobicContact CE1-CB 3.78Å; Y259-P271 HydrophobicContact CE1-CG 4.17Å; Y259-P271 HydrophobicContact CE2-CG 4.43Å; Y259-P271 HydrophobicContact CG-CB 4.29Å
260I81Confident75.2Confident103 Ų10380 Ų8053%0.52845%0.452SS..EExtended strand (participates in β ladder)trans-79.1139177.5-57.5178000110.3P258 A267 L274P258-I260 PolarHBondContact O-N 3.1Å; I260-A267 HydrophobicContact CG1-CB 4.04Å; I260-L274 WeakPolarHBondContact O-CD2 3.29Å
261C86.4Confident75.4Confident1 Ų180 Ų801%0.00745%0.451CS..  trans-78.6122174.3-175.30000111.6H263 C264 S265 K266 F268 L274 H277C261-H263 PolarHBondContact O-N 2.8Å; C261-C264 PolarHBondContact O-N 3.04Å; C261-S265 VanDerWaalsContact O-CA 3.31Å; C261-S265 WeakPolarHBondContact O-CA 3.44Å; C261-S265 PolarHBondContact O-N 2.14Å; C261-K266 HydrophobicContact CB-CB 4.46Å; C261-K266 WeakPolarHBondContact CB-O 3.15Å; C261-K266 PolarHBondContact N-O 2.82Å; C261-F268 HydrophobicContact CB-CE2 4.34Å; C261-L274 HydrophobicContact CB-CD1 3.7Å; C261-H277 PolarHBondContact SG-NE2 3.34Å
262P79.1Confident75.8Confident106 Ų10679.1 Ų79.169%0.68845%0.449SS*.THydrogen-bonded Turntrans-67.5-16.7-178.127.9-35.4000113.7
263H80.6Confident76.4Confident120 Ų12074.7 Ų74.756%0.55643%0.428SS*.THydrogen-bonded Turntrans-102.8-10.4-175.5-53.4-64.9000114.8C261 H282C261-H263 PolarHBondContact O-N 2.8Å; H263-H282 HydrophobicContact CB-CB 4.29Å; H263-H282 WeakPolarHBondContact CB-ND1 3.28Å; H263-H282 AromaticContact CD2-CG 3.88Å; H263-H282 AromaticContact CG-CG 3.98Å
264C83.8Confident77.5Confident40 Ų4072.8 Ų72.827%0.2740%0.402SS..THydrogen-bonded Turntrans-155.819.3177.668.90000115C261 K266 H277 H282C261-C264 PolarHBondContact O-N 3.04Å; C264-K266 PolarHBondContact O-N 2.95Å; C264-H277 PolarHBondContact SG-NE2 2.84Å; C264-H282 PolarHBondContact SG-NE2 3.48Å
265S78.7Confident78.8Confident99 Ų9974.1 Ų74.169%0.69240%0.396SS*.  trans51.25.8-179.959.60000117.3C261 A267C261-S265 VanDerWaalsContact O-CA 3.31Å; C261-S265 WeakPolarHBondContact O-CA 3.44Å; C261-S265 PolarHBondContact O-N 2.14Å; S265-A267 PolarHBondContact O-N 2.64Å
266K80.8Confident79.7Confident130 Ų13073.5 Ų73.557%0.56539%0.394SS*.  trans-64.5122.3176.4-73.3-179.8-177.3174.50110.6C261 C264 F268C261-K266 HydrophobicContact CB-CB 4.46Å; C261-K266 WeakPolarHBondContact CB-O 3.15Å; C261-K266 PolarHBondContact N-O 2.82Å; C264-K266 PolarHBondContact O-N 2.95Å; K266-F268 HydrophobicContact CB-CE2 3.84Å; K266-F268 HydrophobicContact CB-CZ 4.14Å; K266-F268 VanDerWaalsContact O-CD2 3.27Å; K266-F268 WeakPolarHBondContact O-CD2 3.42Å; K266-F268 WeakPolarHBondContact O-CE2 3.28Å
267A80.1Confident80.8Confident37 Ų3767.6 Ų67.631%0.30637%0.367SS..EExtended strand (participates in β ladder)trans-97.8131.9-174.100000111.9K257 I260 S265K257-A267 HydrophobicContact CB-CB 3.49Å; K257-A267 VanDerWaalsContact CB-CB 3.49Å; K257-A267 HydrophobicContact CD-CB 4.07Å; K257-A267 VanDerWaalsContact CD-O 3.29Å; K257-A267 WeakPolarHBondContact CD-O 3.19Å; K257-A267 HydrophobicContact CG-CB 4.33Å; K257-A267 WeakPolarHBondContact CG-O 3.42Å; I260-A267 HydrophobicContact CG1-CB 4.04Å; S265-A267 PolarHBondContact O-N 2.64Å
268F81.3Confident81.3Confident48 Ų4863.9 Ų63.921%0.21135%0.353CS..EExtended strand (participates in β ladder)trans-118.6148.5-177-61.9-91.2000112.1K257 Y259 C261 K266 R270 H273 L274 H277K257-F268 CarbonylContact C-O 3.26Å; K257-F268 VanDerWaalsContact C-O 3.26Å; K257-F268 WeakPolarHBondContact CA-O 3.31Å; Y259-F268 WeakPolarHBondContact CB-O 2.96Å; Y259-F268 WeakPolarHBondContact CD2-O 3.39Å; Y259-F268 PolarHBondContact N-O 3.43Å; Y259-F268 PolarHBondContact O-N 3.19Å; C261-F268 HydrophobicContact CB-CE2 4.34Å; K266-F268 HydrophobicContact CB-CE2 3.84Å; K266-F268 HydrophobicContact CB-CZ 4.14Å; K266-F268 VanDerWaalsContact O-CD2 3.27Å; K266-F268 WeakPolarHBondContact O-CD2 3.42Å; K266-F268 WeakPolarHBondContact O-CE2 3.28Å; F268-R270 VanDerWaalsContact C-N 3.33Å; F268-H273 HydrophobicContact CB-CB 4.42Å; F268-H273 HydrophobicContact CD1-CB 4.12Å; F268-L274 HydrophobicContact CB-CB 4.26Å; F268-L274 HydrophobicContact CD2-CB 4.1Å; F268-L274 HydrophobicContact CD2-CD1 3.91Å; F268-L274 HydrophobicContact CE2-CD1 4.2Å; F268-L274 HydrophobicContact CG-CB 4.33Å; F268-H277 HydrophobicContact CE1-CB 3.96Å; F268-H277 HydrophobicContact CE2-CB 4.03Å; F268-H277 AromaticContact CE2-CD2 3.21Å; F268-H277 WeakPolarHBondContact CE2-CD2 3.48Å; F268-H277 AromaticContact CE2-CG 3.67Å; F268-H277 AromaticContact CE2-NE2 3.89Å; F268-H277 HydrophobicContact CZ-CB 3.53Å; F268-H277 AromaticContact CZ-CD2 3.34Å; F268-H277 WeakPolarHBondContact CZ-CD2 3.18Å; F268-H277 AromaticContact CZ-CG 3.29Å; F268-H277 AromaticContact CZ-ND1 3.93Å; F268-H277 AromaticContact CZ-NE2 3.99Å
269S79.1Confident81.7Confident39 Ų3966.5 Ų66.527%0.27335%0.352SS..SBendtrans-79.6-10.7178.456.90000114.4Y246Y246-S269 WeakPolarHBondContact CE1-O 3.15Å
270R79Confident81.6Confident49 Ų4967.7 Ų67.719%0.18536%0.36CS..SBendtrans-142.5142.7-176-83.3164.354.5-168.3-9.4111.8Y246 Y259 F268 D272 H273 L274Y246-R270 HydrophobicContact CD1-CG 4.22Å; Y246-R270 HydrophobicContact CD2-CG 4.29Å; Y246-R270 HydrophobicContact CE1-CG 4.01Å; Y246-R270 HydrophobicContact CE2-CG 4.08Å; Y246-R270 HydrophobicContact CG-CG 4.37Å; Y259-R270 VanDerWaalsContact CD2-C 3.41Å; F268-R270 VanDerWaalsContact C-N 3.33Å; R270-D272 VanDerWaalsContact C-N 3.31Å; R270-D272 IonicContact CZ-OD1 3.37Å; R270-D272 IonicContact CZ-OD2 3.55Å; R270-D272 IonicContact NE-OD1 2.83Å; R270-D272 PolarHBondContact NE-OD1 2.83Å; R270-D272 IonicContact NE-OD2 3.68Å; R270-D272 VanDerWaalsContact NH2-CG 3.29Å; R270-D272 IonicContact NH2-OD1 3.07Å; R270-D272 PolarHBondContact NH2-OD1 3.31Å; R270-D272 VanDerWaalsContact NH2-OD1 3.07Å; R270-D272 IonicContact NH2-OD2 2.7Å; R270-D272 PolarHBondContact NH2-OD2 2.84Å; R270-D272 PolarHBondContact O-N 3.26Å; R270-H273 HydrophobicContact CB-CB 4.26Å; R270-H273 PolarHBondContact NH1-NE2 2.85Å; R270-H273 VanDerWaalsContact NH1-NE2 3.15Å; R270-H273 PolarHBondContact NH2-CE1 3.47Å; R270-H273 PolarHBondContact O-N 2.98Å; R270-H273 VanDerWaalsContact O-N 3.16Å; R270-L274 PolarHBondContact O-N 3Å; R270-L274 VanDerWaalsContact O-N 3.13Å
271P79.9Confident81.5Confident62 Ų6267.1 Ų67.140%0.40336%0.361SS..Hα-helixtrans-69.9-31.4-179.529.3-32.6000111.6Y259 H273 L274 N275Y259-P271 HydrophobicContact CD1-CB 3.86Å; Y259-P271 HydrophobicContact CE1-CB 3.78Å; Y259-P271 HydrophobicContact CE1-CG 4.17Å; Y259-P271 HydrophobicContact CE2-CG 4.43Å; Y259-P271 HydrophobicContact CG-CB 4.29Å; P271-H273 PolarHBondContact O-N 3.44Å; P271-L274 PolarHBondContact O-N 3.42Å; P271-N275 WeakPolarHBondContact O-CB 3.45Å; P271-N275 PolarHBondContact O-N 3.45Å
272D81.7Confident81.2Confident59 Ų5970.1 Ų70.132%0.31638%0.375SS..Hα-helixtrans-68.1-25.7175.874.3-97.1000112.5R243 R270 S276R243-D272 IonicContact NH2-OD1 3.9Å; R270-D272 VanDerWaalsContact C-N 3.31Å; R270-D272 IonicContact CZ-OD1 3.37Å; R270-D272 IonicContact CZ-OD2 3.55Å; R270-D272 IonicContact NE-OD1 2.83Å; R270-D272 PolarHBondContact NE-OD1 2.83Å; R270-D272 IonicContact NE-OD2 3.68Å; R270-D272 VanDerWaalsContact NH2-CG 3.29Å; R270-D272 IonicContact NH2-OD1 3.07Å; R270-D272 PolarHBondContact NH2-OD1 3.31Å; R270-D272 VanDerWaalsContact NH2-OD1 3.07Å; R270-D272 IonicContact NH2-OD2 2.7Å; R270-D272 PolarHBondContact NH2-OD2 2.84Å; R270-D272 PolarHBondContact O-N 3.26Å; D272-S276 VanDerWaalsContact O-CB 3.23Å; D272-S276 WeakPolarHBondContact O-CB 3.47Å; D272-S276 PolarHBondContact O-N 3.32Å; D272-S276 PolarHBondContact O-OG 3.45Å
273H83.2Confident81.1Confident71 Ų7167.1 Ų67.133%0.32936%0.357SS..Hα-helixtrans-79.5-41.3172.7-67.4-14.9000111.8F268 R270 P271 S276 H277F268-H273 HydrophobicContact CB-CB 4.42Å; F268-H273 HydrophobicContact CD1-CB 4.12Å; R270-H273 HydrophobicContact CB-CB 4.26Å; R270-H273 PolarHBondContact NH1-NE2 2.85Å; R270-H273 VanDerWaalsContact NH1-NE2 3.15Å; R270-H273 PolarHBondContact NH2-CE1 3.47Å; R270-H273 PolarHBondContact O-N 2.98Å; R270-H273 VanDerWaalsContact O-N 3.16Å; P271-H273 PolarHBondContact O-N 3.44Å; H273-S276 PolarHBondContact O-N 3.19Å; H273-H277 WeakPolarHBondContact O-CB 3.36Å; H273-H277 PolarHBondContact O-N 3.42Å
274L84.9Confident80.7Confident30 Ų3067.9 Ų67.916%0.15737%0.37CS..Hα-helixtrans-59-53.2172.2171.259.6000111.8I260 C261 F268 R270 P271 S276 H277 V278I260-L274 WeakPolarHBondContact O-CD2 3.29Å; C261-L274 HydrophobicContact CB-CD1 3.7Å; F268-L274 HydrophobicContact CB-CB 4.26Å; F268-L274 HydrophobicContact CD2-CB 4.1Å; F268-L274 HydrophobicContact CD2-CD1 3.91Å; F268-L274 HydrophobicContact CE2-CD1 4.2Å; F268-L274 HydrophobicContact CG-CB 4.33Å; R270-L274 PolarHBondContact O-N 3Å; R270-L274 VanDerWaalsContact O-N 3.13Å; P271-L274 PolarHBondContact O-N 3.42Å; L274-S276 VanDerWaalsContact C-N 3.29Å; L274-S276 PolarHBondContact O-N 3.08Å; L274-H277 WeakPolarHBondContact O-CA 3.29Å; L274-H277 WeakPolarHBondContact O-CB 3.37Å; L274-H277 PolarHBondContact O-N 3.24Å; L274-V278 HydrophobicContact CD1-CG2 3.77Å; L274-V278 HydrophobicContact CG-CG2 4.39Å; L274-V278 WeakPolarHBondContact O-CG2 3.38Å; L274-V278 PolarHBondContact O-N 2.87Å
275N84.1Confident80.3Confident81 Ų8172.7 Ų72.743%0.43339%0.388SS..Hα-helixtrans-58.2-40.9177.9179.616.9000111.8P271 H277 R279P271-N275 WeakPolarHBondContact O-CB 3.45Å; P271-N275 PolarHBondContact O-N 3.45Å; N275-H277 PolarHBondContact O-N 2.87Å; N275-R279 WeakPolarHBondContact O-CB 3.26Å; N275-R279 WeakPolarHBondContact O-CG 3.34Å; N275-R279 PolarHBondContact O-N 2.94Å; N275-R279 VanDerWaalsContact O-N 3.09Å; N275-R279 PolarHBondContact OD1-NE 3.17Å
276S83.4Confident80.2Confident45 Ų4575.2 Ų75.232%0.31538%0.383SS..Hα-helixtrans-62.1-41174-65.20000112.3D272 H273 L274 Q280D272-S276 VanDerWaalsContact O-CB 3.23Å; D272-S276 WeakPolarHBondContact O-CB 3.47Å; D272-S276 PolarHBondContact O-N 3.32Å; D272-S276 PolarHBondContact O-OG 3.45Å; H273-S276 PolarHBondContact O-N 3.19Å; L274-S276 VanDerWaalsContact C-N 3.29Å; L274-S276 PolarHBondContact O-N 3.08Å; S276-Q280 WeakPolarHBondContact O-CB 3.06Å; S276-Q280 WeakPolarHBondContact O-CG 3.37Å; S276-Q280 PolarHBondContact O-N 3.16Å; S276-Q280 VanDerWaalsContact O-N 3.13Å; S276-Q280 PolarHBondContact O-NE2 3.34Å
277H85.5Confident80.2Confident20 Ų2073.1 Ų73.19%0.09338%0.382CS..Hα-helixtrans-68.4-47.4177.6158.562.8000112.4C261 C264 F268 H273 L274 N275 R279 Q280 V281 H282C261-H277 PolarHBondContact SG-NE2 3.34Å; C264-H277 PolarHBondContact SG-NE2 2.84Å; F268-H277 HydrophobicContact CE1-CB 3.96Å; F268-H277 HydrophobicContact CE2-CB 4.03Å; F268-H277 AromaticContact CE2-CD2 3.21Å; F268-H277 WeakPolarHBondContact CE2-CD2 3.48Å; F268-H277 AromaticContact CE2-CG 3.67Å; F268-H277 AromaticContact CE2-NE2 3.89Å; F268-H277 HydrophobicContact CZ-CB 3.53Å; F268-H277 AromaticContact CZ-CD2 3.34Å; F268-H277 WeakPolarHBondContact CZ-CD2 3.18Å; F268-H277 AromaticContact CZ-CG 3.29Å; F268-H277 AromaticContact CZ-ND1 3.93Å; F268-H277 AromaticContact CZ-NE2 3.99Å; H273-H277 WeakPolarHBondContact O-CB 3.36Å; H273-H277 PolarHBondContact O-N 3.42Å; L274-H277 WeakPolarHBondContact O-CA 3.29Å; L274-H277 WeakPolarHBondContact O-CB 3.37Å; L274-H277 PolarHBondContact O-N 3.24Å; N275-H277 PolarHBondContact O-N 2.87Å; H277-R279 VanDerWaalsContact C-N 3.32Å; H277-R279 PolarHBondContact O-N 2.77Å; H277-Q280 PolarHBondContact O-N 3.38Å; H277-V281 WeakPolarHBondContact ND1-CG2 3.47Å; H277-V281 WeakPolarHBondContact O-CB 3.5Å; H277-V281 PolarHBondContact O-N 3.29Å; H277-H282 AromaticContact CE1-CD2 4Å; H277-H282 AromaticContact CE1-NE2 3.69Å; H277-H282 AromaticContact NE2-CD2 3.83Å; H277-H282 AromaticContact NE2-NE2 3.59Å
278V82.9Confident80.3Confident36 Ų3674.1 Ų74.122%0.21838%0.38CS..Hα-helixtrans-56.4-48177.5171.60000110.2L274 Q280 H282 S283L274-V278 HydrophobicContact CD1-CG2 3.77Å; L274-V278 HydrophobicContact CG-CG2 4.39Å; L274-V278 WeakPolarHBondContact O-CG2 3.38Å; L274-V278 PolarHBondContact O-N 2.87Å; V278-Q280 VanDerWaalsContact C-N 3.3Å; V278-Q280 PolarHBondContact O-N 2.94Å; V278-H282 HydrophobicContact CG1-CB 4.49Å; V278-H282 CarbonylContact O-C 3.6Å; V278-H282 WeakPolarHBondContact O-CA 3.04Å; V278-H282 PolarHBondContact O-N 3.46Å; V278-S283 PolarHBondContact O-N 3Å
279R81.6Confident80.4Confident143 Ų14379.5 Ų79.554%0.5440%0.403SS..Hα-helixtrans-61.2-33.7174.7-69.9174.9-174.1-109.1-5.9113.6N275 H277 A298N275-R279 WeakPolarHBondContact O-CB 3.26Å; N275-R279 WeakPolarHBondContact O-CG 3.34Å; N275-R279 PolarHBondContact O-N 2.94Å; N275-R279 VanDerWaalsContact O-N 3.09Å; N275-R279 PolarHBondContact OD1-NE 3.17Å; H277-R279 VanDerWaalsContact C-N 3.32Å; H277-R279 PolarHBondContact O-N 2.77Å; R279-A298 WeakPolarHBondContact O-CB 3.38Å
280Q77.2Confident80.7Confident102 Ų10278.3 Ų78.348%0.47740%0.395SS..Hα-helixtrans-86-26.3-176-77.816967.100114.8S276 H277 V278 A298 T299S276-Q280 WeakPolarHBondContact O-CB 3.06Å; S276-Q280 WeakPolarHBondContact O-CG 3.37Å; S276-Q280 PolarHBondContact O-N 3.16Å; S276-Q280 VanDerWaalsContact O-N 3.13Å; S276-Q280 PolarHBondContact O-NE2 3.34Å; H277-Q280 PolarHBondContact O-N 3.38Å; V278-Q280 VanDerWaalsContact C-N 3.3Å; V278-Q280 PolarHBondContact O-N 2.94Å; Q280-A298 HydrophobicContact CG-CB 4.3Å; Q280-T299 HydrophobicContact CG-CG2 3.87Å
281V78.7Confident80.8Confident91 Ų9182.3 Ų82.355%0.55243%0.425SS*.Hα-helixtrans-118.5-29.7-169.3-178.20000112.7H277H277-V281 WeakPolarHBondContact ND1-CG2 3.47Å; H277-V281 WeakPolarHBondContact O-CB 3.5Å; H277-V281 PolarHBondContact O-N 3.29Å
282H79.8Confident80.7Confident64 Ų6483.6 Ų83.630%0.29643%0.431SS..THydrogen-bonded Turntrans-116.2-17.7-174-61.8-67000114.1H263 C264 H277 V278H263-H282 HydrophobicContact CB-CB 4.29Å; H263-H282 WeakPolarHBondContact CB-ND1 3.28Å; H263-H282 AromaticContact CD2-CG 3.88Å; H263-H282 AromaticContact CG-CG 3.98Å; C264-H282 PolarHBondContact SG-NE2 3.48Å; H277-H282 AromaticContact CE1-CD2 4Å; H277-H282 AromaticContact CE1-NE2 3.69Å; H277-H282 AromaticContact NE2-CD2 3.83Å; H277-H282 AromaticContact NE2-NE2 3.59Å; V278-H282 HydrophobicContact CG1-CB 4.49Å; V278-H282 CarbonylContact O-C 3.6Å; V278-H282 WeakPolarHBondContact O-CA 3.04Å; V278-H282 PolarHBondContact O-N 3.46Å
283S76.6Confident80.8Confident44 Ų4483 Ų8331%0.30843%0.432SS..  trans-85.5128.8169.4-169.10000111V278 E285V278-S283 PolarHBondContact O-N 3Å; S283-E285 VanDerWaalsContact C-N 3.27Å; S283-E285 WeakPolarHBondContact OG-CB 3.43Å; S283-E285 PolarHBondContact OG-N 2.95Å
284T71.8Confident80.8Confident135 Ų13586.9 Ų86.983%0.82846%0.46SS*.  trans-74-19.9167.347.90000112R286T284-R286 PolarHBondContact O-N 3.34Å
285E75.4Confident80.6Confident141 Ų14187.1 Ų87.166%0.65947%0.465SS*.  trans-70.2120-179.2-61.2-174.8173.700111.7S283 P287S283-E285 VanDerWaalsContact C-N 3.27Å; S283-E285 WeakPolarHBondContact OG-CB 3.43Å; S283-E285 PolarHBondContact OG-N 2.95Å; E285-P287 VanDerWaalsContact O-CD 3.27Å; E285-P287 WeakPolarHBondContact O-CD 3.18Å
286R77.8Confident80.5Confident152 Ų15284.2 Ų84.257%0.57445%0.452SS*.  trans-12070.4177-71.2174.2166.4-154.79.9110.3T284 F288 A296 F297T284-R286 PolarHBondContact O-N 3.34Å; R286-F288 PolarHBondContact O-N 3.23Å; R286-A296 HydrophobicContact CB-CB 3.69Å; R286-A296 WeakPolarHBondContact CD-O 3.45Å; R286-A296 PolarHBondContact NH1-O 3.45Å; R286-F297 CarbonylContact C-O 3.55Å
287P80.1Confident80.5Confident86 Ų8683.6 Ų83.656%0.55844%0.444SS*.  trans-67.2-17-172.827-35.7000113.8E285 K289E285-P287 VanDerWaalsContact O-CD 3.27Å; E285-P287 WeakPolarHBondContact O-CD 3.18Å; P287-K289 PolarHBondContact O-N 3.16Å
288F81.4Confident80.3Confident58 Ų5883.5 Ų83.525%0.25445%0.446SS..EExtended strand (participates in β ladder)trans-97.778.6-179.5-52.1-62.1000110.6R286 F297 T299 R300 L303R286-F288 PolarHBondContact O-N 3.23Å; F288-F297 WeakPolarHBondContact CB-O 3.39Å; F288-F297 PolarHBondContact N-O 2.8Å; F288-F297 VanDerWaalsContact N-O 3.09Å; F288-F297 PolarHBondContact O-N 2.73Å; F288-T299 VanDerWaalsContact CD2-C 3.46Å; F288-R300 HydrophobicContact CD1-CG 3.58Å; F288-R300 HydrophobicContact CD2-CG 4.09Å; F288-R300 HydrophobicContact CE1-CG 3.37Å; F288-R300 HydrophobicContact CE2-CG 3.89Å; F288-R300 HydrophobicContact CG-CG 3.94Å; F288-R300 HydrophobicContact CZ-CG 3.53Å; F288-L303 HydrophobicContact CB-CB 4.15Å; F288-L303 HydrophobicContact CB-CD2 3.88Å
289K83.8Confident80.2Confident162 Ų16283 Ų8370%0.70444%0.443SS*.EExtended strand (participates in β ladder)trans-67.2147171.3-60.9-177.5-179.3-179.60110.8P287 A296 L303P287-K289 PolarHBondContact O-N 3.16Å; K289-A296 HydrophobicContact CG-CB 4.04Å; K289-L303 WeakPolarHBondContact O-CD2 3.38Å
290C85Confident80.2Confident14 Ų1483.4 Ų83.410%0.09545%0.445CS..  trans-77.8148.4167.2-171.30000110.3T292 C293 S295 L303 H306C290-T292 PolarHBondContact SG-N 3.02Å; C290-C293 WeakPolarHBondContact CB-O 3.44Å; C290-S295 VanDerWaalsContact CB-O 3.32Å; C290-S295 WeakPolarHBondContact CB-O 3.43Å; C290-S295 PolarHBondContact N-O 3.42Å; C290-L303 HydrophobicContact CB-CD1 3.97Å; C290-H306 VanDerWaalsContact SG-CD2 3.51Å; C290-H306 PolarHBondContact SG-NE2 3.06Å; C290-H306 VanDerWaalsContact SG-NE2 3.39Å
291T81.2Confident80.4Confident132 Ų13283.5 Ų83.581%0.8145%0.449SS*.SBendtrans-84-27.2175.146.50000112.5
292T79.1Confident80.5Confident89 Ų8986 Ų8655%0.54645%0.448SS..SBendtrans-98.7-10.9-172.9-37.80000112.9C290 H310C290-T292 PolarHBondContact SG-N 3.02Å; T292-H310 HydrophobicContact CG2-CB 4.12Å
293C83.3Confident80.6Confident48 Ų4884.1 Ų84.132%0.32444%0.44SS..SBendtrans-157.5169.5172.173.20000112.2C290 S295 H306 H310C290-C293 WeakPolarHBondContact CB-O 3.44Å; C293-S295 PolarHBondContact O-N 3.2Å; C293-S295 PolarHBondContact SG-OG 3.06Å; C293-H306 PolarHBondContact SG-NE2 3.26Å; C293-H310 PolarHBondContact SG-NE2 2.82Å
294T83.4Confident80.9Confident151 Ų15188.4 Ų88.493%0.92645%0.45SS*.SBendtrans-65.2-4.3-177.754.30000115.6
295S80.1Confident81.3Confident36 Ų3684.2 Ų84.225%0.25243%0.429SS..  trans-74.4139.5-175.679.40000112.9C290 C293 F297 H306C290-S295 VanDerWaalsContact CB-O 3.32Å; C290-S295 WeakPolarHBondContact CB-O 3.43Å; C290-S295 PolarHBondContact N-O 3.42Å; C293-S295 PolarHBondContact O-N 3.2Å; C293-S295 PolarHBondContact SG-OG 3.06Å; S295-F297 WeakPolarHBondContact OG-CE2 3.47Å; S295-F297 WeakPolarHBondContact OG-CZ 3.35Å; S295-H306 PolarHBondContact OG-CE1 3.21Å; S295-H306 PolarHBondContact OG-NE2 2.87Å
296A82.8Confident81.6Confident20 Ų2078.1 Ų78.117%0.16540%0.4CS..EExtended strand (participates in β ladder)trans-129.5147.8-178.300000111.9R286 K289R286-A296 HydrophobicContact CB-CB 3.69Å; R286-A296 WeakPolarHBondContact CD-O 3.45Å; R286-A296 PolarHBondContact NH1-O 3.45Å; K289-A296 HydrophobicContact CG-CB 4.04Å
297F82.5Confident81.7Confident32 Ų3273.3 Ų73.314%0.1439%0.386CS..EExtended strand (participates in β ladder)trans-130.5149.7-171.4-55-80.4000112.6R286 F288 S295 R302 L303 H306R286-F297 CarbonylContact C-O 3.55Å; F288-F297 WeakPolarHBondContact CB-O 3.39Å; F288-F297 PolarHBondContact N-O 2.8Å; F288-F297 VanDerWaalsContact N-O 3.09Å; F288-F297 PolarHBondContact O-N 2.73Å; S295-F297 WeakPolarHBondContact OG-CE2 3.47Å; S295-F297 WeakPolarHBondContact OG-CZ 3.35Å; F297-R302 HydrophobicContact CB-CB 4.45Å; F297-R302 HydrophobicContact CD1-CB 4.29Å; F297-R302 HydrophobicContact CD1-CG 3.67Å; F297-R302 HydrophobicContact CE1-CG 4.19Å; F297-R302 HydrophobicContact CG-CG 4.36Å; F297-L303 HydrophobicContact CB-CB 4.46Å; F297-L303 HydrophobicContact CD2-CB 3.93Å; F297-L303 HydrophobicContact CD2-CD1 3.89Å; F297-L303 HydrophobicContact CE2-CD1 4.08Å; F297-L303 HydrophobicContact CG-CB 4.46Å; F297-H306 HydrophobicContact CE1-CB 4.28Å; F297-H306 HydrophobicContact CE2-CB 3.76Å; F297-H306 AromaticContact CE2-CD2 3.48Å; F297-H306 VanDerWaalsContact CE2-CD2 3.48Å; F297-H306 WeakPolarHBondContact CE2-CD2 3.34Å; F297-H306 AromaticContact CE2-CG 3.56Å; F297-H306 HydrophobicContact CZ-CB 3.56Å; F297-H306 AromaticContact CZ-CD2 3.71Å; F297-H306 AromaticContact CZ-CG 3.35Å; F297-H306 AromaticContact CZ-ND1 3.72Å
298A82Confident81.6Confident18 Ų1872 Ų7215%0.14937%0.374CS..SBendtrans-77.7-15.6175.100000114.2R279 Q280R279-A298 WeakPolarHBondContact O-CB 3.38Å; Q280-A298 HydrophobicContact CG-CB 4.3Å
299T81.3Confident81Confident25 Ų2576.9 Ų76.915%0.15339%0.39CS..SBendtrans-135.9142.3-17963.30000112.9Q280 F288 D301 R302 L303Q280-T299 HydrophobicContact CG-CG2 3.87Å; F288-T299 VanDerWaalsContact CD2-C 3.46Å; T299-D301 PolarHBondContact O-N 3.19Å; T299-R302 PolarHBondContact O-N 3.47Å; T299-R302 WeakPolarHBondContact OG1-CB 3.18Å; T299-R302 PolarHBondContact OG1-N 3.17Å; T299-L303 PolarHBondContact O-N 3.01Å; T299-L303 VanDerWaalsContact O-N 3.12Å
300R81.4Confident80.4Confident151 Ų15172.5 Ų72.557%0.5737%0.372SS*.Hα-helixtrans-59.1-34.7177.4-65.7-167.972.6116.73.1112.6F288 L303 R304F288-R300 HydrophobicContact CD1-CG 3.58Å; F288-R300 HydrophobicContact CD2-CG 4.09Å; F288-R300 HydrophobicContact CE1-CG 3.37Å; F288-R300 HydrophobicContact CE2-CG 3.89Å; F288-R300 HydrophobicContact CG-CG 3.94Å; F288-R300 HydrophobicContact CZ-CG 3.53Å; R300-L303 PolarHBondContact O-N 3.41Å; R300-R304 WeakPolarHBondContact O-CG 3.41Å; R300-R304 PolarHBondContact O-N 3.27Å
301D81.2Confident79.8Confident104 Ų10475.5 Ų75.556%0.55639%0.385SS*.Hα-helixtrans-73.9-29.5-178.4-57.9-65000112.5T299 R304 A305T299-D301 PolarHBondContact O-N 3.19Å; D301-R304 IonicContact OD1-CZ 3.78Å; D301-R304 IonicContact OD1-NH1 2.68Å; D301-R304 PolarHBondContact OD1-NH1 2.91Å; D301-A305 WeakPolarHBondContact O-CB 3.46Å; D301-A305 PolarHBondContact O-N 2.87Å
302R80Confident79.1Confident143 Ų14377.2 Ų77.254%0.5438%0.384SS..Hα-helixtrans-74.9-35170.1-167.653.8168.8171.2-3.8112.2F297 T299 A305 H306F297-R302 HydrophobicContact CB-CB 4.45Å; F297-R302 HydrophobicContact CD1-CB 4.29Å; F297-R302 HydrophobicContact CD1-CG 3.67Å; F297-R302 HydrophobicContact CE1-CG 4.19Å; F297-R302 HydrophobicContact CG-CG 4.36Å; T299-R302 PolarHBondContact O-N 3.47Å; T299-R302 WeakPolarHBondContact OG1-CB 3.18Å; T299-R302 PolarHBondContact OG1-N 3.17Å; R302-A305 PolarHBondContact O-N 3.25Å; R302-H306 WeakPolarHBondContact O-CB 3.17Å; R302-H306 PolarHBondContact O-N 2.85Å
303L83.6Confident79Confident25 Ų2578.2 Ų78.213%0.13138%0.38CS..Hα-helixtrans-60.8-47.5168.8173.560.4000111.2F288 K289 C290 F297 T299 R300 A305 H306 L307F288-L303 HydrophobicContact CB-CB 4.15Å; F288-L303 HydrophobicContact CB-CD2 3.88Å; K289-L303 WeakPolarHBondContact O-CD2 3.38Å; C290-L303 HydrophobicContact CB-CD1 3.97Å; F297-L303 HydrophobicContact CB-CB 4.46Å; F297-L303 HydrophobicContact CD2-CB 3.93Å; F297-L303 HydrophobicContact CD2-CD1 3.89Å; F297-L303 HydrophobicContact CE2-CD1 4.08Å; F297-L303 HydrophobicContact CG-CB 4.46Å; T299-L303 PolarHBondContact O-N 3.01Å; T299-L303 VanDerWaalsContact O-N 3.12Å; R300-L303 PolarHBondContact O-N 3.41Å; L303-A305 PolarHBondContact O-N 3.29Å; L303-H306 CarbonylContact O-C 3.38Å; L303-H306 WeakPolarHBondContact O-CA 3.49Å; L303-H306 WeakPolarHBondContact O-CB 3.46Å; L303-H306 PolarHBondContact O-N 3.26Å; L303-L307 HydrophobicContact CD1-CD1 4.13Å; L303-L307 HydrophobicContact CD1-CD2 4.34Å; L303-L307 HydrophobicContact CD1-CG 3.94Å; L303-L307 HydrophobicContact CG-CD1 4Å; L303-L307 HydrophobicContact CG-CG 4.29Å; L303-L307 WeakPolarHBondContact O-CG 3.26Å; L303-L307 PolarHBondContact O-N 2.86Å
304R82.5Confident78.6Confident134 Ų13478.7 Ų78.751%0.50638%0.382SS..Hα-helixtrans-54.2-51.9173.6-73.8169.1176.7137.9-0.9111.6R300 D301 H306 L307 I308R300-R304 WeakPolarHBondContact O-CG 3.41Å; R300-R304 PolarHBondContact O-N 3.27Å; D301-R304 IonicContact OD1-CZ 3.78Å; D301-R304 IonicContact OD1-NH1 2.68Å; D301-R304 PolarHBondContact OD1-NH1 2.91Å; R304-H306 PolarHBondContact O-N 3.4Å; R304-H306 VanDerWaalsContact O-N 3.11Å; R304-L307 PolarHBondContact O-N 3.31Å; R304-I308 WeakPolarHBondContact O-CG1 3.35Å; R304-I308 PolarHBondContact O-N 3.19Å
305A80.1Confident78.1Confident48 Ų4875.1 Ų75.140%0.39736%0.361SS..Hα-helixtrans-64.3-13.4177.500000114.3D301 R302 L303D301-A305 WeakPolarHBondContact O-CB 3.46Å; D301-A305 PolarHBondContact O-N 2.87Å; R302-A305 PolarHBondContact O-N 3.25Å; L303-A305 PolarHBondContact O-N 3.29Å
306H81.8Confident77.9Confident12 Ų1273.5 Ų73.56%0.05635%0.35CS..Hα-helixtrans-93.3-38.8172169.975.5000112.6C290 C293 S295 F297 R302 L303 R304 I308 R309 H310C290-H306 VanDerWaalsContact SG-CD2 3.51Å; C290-H306 PolarHBondContact SG-NE2 3.06Å; C290-H306 VanDerWaalsContact SG-NE2 3.39Å; C293-H306 PolarHBondContact SG-NE2 3.26Å; S295-H306 PolarHBondContact OG-CE1 3.21Å; S295-H306 PolarHBondContact OG-NE2 2.87Å; F297-H306 HydrophobicContact CE1-CB 4.28Å; F297-H306 HydrophobicContact CE2-CB 3.76Å; F297-H306 AromaticContact CE2-CD2 3.48Å; F297-H306 VanDerWaalsContact CE2-CD2 3.48Å; F297-H306 WeakPolarHBondContact CE2-CD2 3.34Å; F297-H306 AromaticContact CE2-CG 3.56Å; F297-H306 HydrophobicContact CZ-CB 3.56Å; F297-H306 AromaticContact CZ-CD2 3.71Å; F297-H306 AromaticContact CZ-CG 3.35Å; F297-H306 AromaticContact CZ-ND1 3.72Å; R302-H306 WeakPolarHBondContact O-CB 3.17Å; R302-H306 PolarHBondContact O-N 2.85Å; L303-H306 CarbonylContact O-C 3.38Å; L303-H306 WeakPolarHBondContact O-CA 3.49Å; L303-H306 WeakPolarHBondContact O-CB 3.46Å; L303-H306 PolarHBondContact O-N 3.26Å; R304-H306 PolarHBondContact O-N 3.4Å; R304-H306 VanDerWaalsContact O-N 3.11Å; H306-I308 PolarHBondContact O-N 3.18Å; H306-R309 WeakPolarHBondContact O-CB 3.5Å; H306-R309 PolarHBondContact O-N 2.92Å; H306-H310 AromaticContact CD2-CD2 4Å; H306-H310 AromaticContact CD2-NE2 3.83Å; H306-H310 AromaticContact CE1-NE2 3.41Å; H306-H310 PolarHBondContact CE1-NE2 3.35Å; H306-H310 AromaticContact NE2-CD2 3.54Å; H306-H310 AromaticContact NE2-NE2 2.93Å; H306-H310 PolarHBondContact NE2-NE2 2.95Å
307L80Confident77.2Confident52 Ų5280.3 Ų80.327%0.27238%0.378SS..Hα-helixtrans-59-33.6174.4-70.5168.9000111.6L303 R304 R309 H310 E311L303-L307 HydrophobicContact CD1-CD1 4.13Å; L303-L307 HydrophobicContact CD1-CD2 4.34Å; L303-L307 HydrophobicContact CD1-CG 3.94Å; L303-L307 HydrophobicContact CG-CD1 4Å; L303-L307 HydrophobicContact CG-CG 4.29Å; L303-L307 WeakPolarHBondContact O-CG 3.26Å; L303-L307 PolarHBondContact O-N 2.86Å; R304-L307 PolarHBondContact O-N 3.31Å; L307-R309 PolarHBondContact O-N 3.33Å; L307-H310 WeakPolarHBondContact O-CA 3.32Å; L307-H310 PolarHBondContact O-N 3.5Å; L307-E311 PolarHBondContact O-N 2.63Å
308I76.6Confident76.5Confident59 Ų5983 Ų8330%0.30339%0.393SS..THydrogen-bonded Turntrans-57.6-10.8170.5-67.4172.2000113.8R304 H306 E311 S324 A326R304-I308 WeakPolarHBondContact O-CG1 3.35Å; R304-I308 PolarHBondContact O-N 3.19Å; H306-I308 PolarHBondContact O-N 3.18Å; I308-E311 WeakPolarHBondContact CG1-OE1 3.46Å; I308-S324 WeakPolarHBondContact CG2-OG 3.39Å; I308-S324 WeakPolarHBondContact O-CB 3.38Å; I308-A326 HydrophobicContact CD1-CB 4.2Å; I308-A326 HydrophobicContact CG1-CB 4.48Å
309R69.8Low75.9Confident159 Ų15984.3 Ų84.360%0.640%0.4SS*.THydrogen-bonded Turntrans-90.4-26.1170.8-168.5-173.6-62.9158.6-2113.5H306 L307H306-R309 WeakPolarHBondContact O-CB 3.5Å; H306-R309 PolarHBondContact O-N 2.92Å; L307-R309 PolarHBondContact O-N 3.33Å
310H71.2Confident75.3Confident71 Ų7185.8 Ų85.833%0.32942%0.42SS..THydrogen-bonded Turntrans-90.2-21.5176.2-62.4-66.7000112T292 C293 H306 L307T292-H310 HydrophobicContact CG2-CB 4.12Å; C293-H310 PolarHBondContact SG-NE2 2.82Å; H306-H310 AromaticContact CD2-CD2 4Å; H306-H310 AromaticContact CD2-NE2 3.83Å; H306-H310 AromaticContact CE1-NE2 3.41Å; H306-H310 PolarHBondContact CE1-NE2 3.35Å; H306-H310 AromaticContact NE2-CD2 3.54Å; H306-H310 AromaticContact NE2-NE2 2.93Å; H306-H310 PolarHBondContact NE2-NE2 2.95Å; L307-H310 WeakPolarHBondContact O-CA 3.32Å; L307-H310 PolarHBondContact O-N 3.5Å
311E71.5Confident74.8Confident77 Ų7783.9 Ų83.936%0.3642%0.416SS..SBendtrans-53.9135.4161.5-73.3170.4-159.100110.3L307 I308 K313L307-E311 PolarHBondContact O-N 2.63Å; I308-E311 WeakPolarHBondContact CG1-OE1 3.46Å; E311-K313 PolarHBondContact O-N 3.25Å
312E67.5Low74.3Confident168 Ų16884.3 Ų84.379%0.78542%0.418SS*.  trans-55.9133.6175.1-166.7-171.1148.500110.5V314E312-V314 PolarHBondContact O-N 3.04Å
313K76.4Confident74.1Confident109 Ų10978.6 Ų78.647%0.47440%0.398SS..EExtended strand (participates in β ladder)trans-88.799.6-177.4-61177.7-169.8163.80109.8E311 L322 L323E311-K313 PolarHBondContact O-N 3.25Å; K313-L322 HydrophobicContact CB-CB 3.75Å; K313-L322 HydrophobicContact CB-CD2 4.49Å; K313-L322 HydrophobicContact CD-CB 4.02Å; K313-L322 VanDerWaalsContact O-CD2 3.28Å; K313-L322 WeakPolarHBondContact O-CD2 3.46Å; K313-L323 CarbonylContact C-O 3.54Å; K313-L323 WeakPolarHBondContact CA-O 3.42Å
314V74.6Confident73.6Confident59 Ų5978 Ų7836%0.35840%0.396SS..EExtended strand (participates in β ladder)trans-59.1127.2172.4-172.50000109.8E312 L323 A325 I328E312-V314 PolarHBondContact O-N 3.04Å; V314-L323 PolarHBondContact N-O 3.36Å; V314-L323 PolarHBondContact O-N 2.86Å; V314-L323 VanDerWaalsContact O-O 3.06Å; V314-A325 HydrophobicContact CG2-CB 4.42Å; V314-I328 HydrophobicContact CB-CD1 3.9Å; V314-I328 HydrophobicContact CG1-CD1 3.65Å
315P72.3Confident73Confident76 Ų7674.4 Ų74.449%0.49440%0.395SS..EExtended strand (participates in β ladder)trans-69.1133.3172.327.1-32.7000110.8H317 L322P315-H317 PolarHBondContact O-N 3.42Å; P315-L322 HydrophobicContact CB-CD2 3.92Å
316C76.8Confident72.4Confident2 Ų275.2 Ų75.21%0.01440%0.402CS..PPolyproline II helixtrans-66.5116.4167.6169.10000110.3I318 C319 G320 K321 L323 M332 H335C316-I318 PolarHBondContact O-N 2.79Å; C316-I318 PolarHBondContact SG-N 3.04Å; C316-I318 VanDerWaalsContact SG-N 3.42Å; C316-C319 PolarHBondContact O-N 2.99Å; C316-C319 PolarHBondContact SG-N 2.96Å; C316-C319 VanDerWaalsContact SG-SG 3.67Å; C316-G320 WeakPolarHBondContact O-CA 3.36Å; C316-G320 PolarHBondContact O-N 3.29Å; C316-K321 HydrophobicContact CB-CB 4.47Å; C316-K321 WeakPolarHBondContact CB-O 3.17Å; C316-K321 PolarHBondContact N-O 3.42Å; C316-L323 HydrophobicContact CB-CD1 3.88Å; C316-M332 HydrophobicContact CB-CE 4.06Å; C316-M332 WeakPolarHBondContact SG-CE 3.17Å; C316-H335 PolarHBondContact SG-NE2 3.41Å
317H69.3Low71.9Confident162 Ų16281.1 Ų81.175%0.7542%0.424SS*.THydrogen-bonded Turntrans-64.9-2.1179.575.684.3000115.4P315P315-H317 PolarHBondContact O-N 3.42Å
318I66.6Low71.5Confident89 Ų8979.9 Ų79.946%0.45642%0.418SS..THydrogen-bonded Turntrans-109-31.1-179.6-51.2176.2000111.7C316 M332 H335C316-I318 PolarHBondContact O-N 2.79Å; C316-I318 PolarHBondContact SG-N 3.04Å; C316-I318 VanDerWaalsContact SG-N 3.42Å; I318-M332 HydrophobicContact CD1-SD 4.24Å; I318-H335 HydrophobicContact CD1-CB 3.61Å; I318-H335 WeakPolarHBondContact CG2-ND1 3.46Å
319C69.9Low71.3Confident45 Ų4582 Ų8230%0.30443%0.433SS..THydrogen-bonded Turntrans-142.619.2-177.274.90000115.3C316 K321 H331 H335C316-C319 PolarHBondContact O-N 2.99Å; C316-C319 PolarHBondContact SG-N 2.96Å; C316-C319 VanDerWaalsContact SG-SG 3.67Å; C319-K321 PolarHBondContact O-N 3.06Å; C319-H331 PolarHBondContact SG-NE2 3.41Å; C319-H335 WeakPolarHBondContact CB-CE1 3.38Å; C319-H335 PolarHBondContact SG-CE1 3.48Å; C319-H335 PolarHBondContact SG-NE2 3.05Å
320G67.9Low71.4Confident56 Ų5677.7 Ų77.758%0.57742%0.422SS*.  trans65.8-6.9173.600000116.6C316 L322C316-G320 WeakPolarHBondContact O-CA 3.36Å; C316-G320 PolarHBondContact O-N 3.29Å; G320-L322 PolarHBondContact O-N 2.76Å
321K71.3Confident71.6Confident112 Ų11275 Ų7549%0.48741%0.41SS..  trans-63124-176.4-70.8178.5-173.8173.10110.3C316 C319 L323C316-K321 HydrophobicContact CB-CB 4.47Å; C316-K321 WeakPolarHBondContact CB-O 3.17Å; C316-K321 PolarHBondContact N-O 3.42Å; C319-K321 PolarHBondContact O-N 3.06Å; K321-L323 HydrophobicContact CB-CD1 4.16Å; K321-L323 HydrophobicContact CB-CG 4.37Å; K321-L323 WeakPolarHBondContact O-CD1 3.38Å; K321-L323 PolarHBondContact O-N 3.1Å
322L71.1Confident71.5Confident113 Ų11373.4 Ų73.459%0.59240%0.403SS*.EExtended strand (participates in β ladder)trans-77.3109.9174.6-67.4170.8000109.6K313 P315 G320K313-L322 HydrophobicContact CB-CB 3.75Å; K313-L322 HydrophobicContact CB-CD2 4.49Å; K313-L322 HydrophobicContact CD-CB 4.02Å; K313-L322 VanDerWaalsContact O-CD2 3.28Å; K313-L322 WeakPolarHBondContact O-CD2 3.46Å; P315-L322 HydrophobicContact CB-CD2 3.92Å; G320-L322 PolarHBondContact O-N 2.76Å
323L74.4Confident71.8Confident23 Ų2372.4 Ų72.412%0.1239%0.392CS..EExtended strand (participates in β ladder)trans-129.7153.4177.3-30.997.7000110.8K313 V314 C316 K321 Y327 I328 H331K313-L323 CarbonylContact C-O 3.54Å; K313-L323 WeakPolarHBondContact CA-O 3.42Å; V314-L323 PolarHBondContact N-O 3.36Å; V314-L323 PolarHBondContact O-N 2.86Å; V314-L323 VanDerWaalsContact O-O 3.06Å; C316-L323 HydrophobicContact CB-CD1 3.88Å; K321-L323 HydrophobicContact CB-CD1 4.16Å; K321-L323 HydrophobicContact CB-CG 4.37Å; K321-L323 WeakPolarHBondContact O-CD1 3.38Å; K321-L323 PolarHBondContact O-N 3.1Å; L323-Y327 HydrophobicContact CB-CD1 4.35Å; L323-Y327 HydrophobicContact CD2-CD1 3.69Å; L323-Y327 HydrophobicContact CD2-CE1 3.98Å; L323-I328 HydrophobicContact CD1-CB 4.47Å; L323-I328 HydrophobicContact CD1-CG1 4.15Å; L323-H331 HydrophobicContact CD1-CB 4.37Å; L323-H331 WeakPolarHBondContact CD1-CD2 3.45Å; L323-H331 HydrophobicContact CD2-CB 3.83Å
324S73.8Confident71.3Confident12 Ų1269.1 Ų69.18%0.08438%0.381CS..EExtended strand (participates in β ladder)trans-64.1152.817653.80000112.6I308 A326 Y327 I328I308-S324 WeakPolarHBondContact CG2-OG 3.39Å; I308-S324 WeakPolarHBondContact O-CB 3.38Å; S324-A326 PolarHBondContact O-N 3.22Å; S324-A326 VanDerWaalsContact O-N 3.17Å; S324-Y327 PolarHBondContact O-N 3.42Å; S324-Y327 WeakPolarHBondContact OG-CB 3.43Å; S324-I328 PolarHBondContact O-N 2.93Å
325A69.7Low70.9Confident58 Ų5867.3 Ų67.348%0.47937%0.369SS..Hα-helixtrans-55.8-33.3178.400000113.2V314 Y327V314-A325 HydrophobicContact CG2-CB 4.42Å; A325-Y327 VanDerWaalsContact C-N 3.34Å; A325-Y327 PolarHBondContact O-N 2.85Å
326A67.3Low70.6Confident66 Ų6670.3 Ų70.355%0.54538%0.381SS..Hα-helixtrans-67.1-29.9174.700000113.9I308 S324I308-A326 HydrophobicContact CD1-CB 4.2Å; I308-A326 HydrophobicContact CG1-CB 4.48Å; S324-A326 PolarHBondContact O-N 3.22Å; S324-A326 VanDerWaalsContact O-N 3.17Å
327Y71.3Confident69.8Low135 Ų13575.9 Ų75.953%0.52941%0.407SS..Hα-helixtrans-103.5-25.8-173.8-165.6-106.3000113.6L323 S324 A325 T329 D330 H331L323-Y327 HydrophobicContact CB-CD1 4.35Å; L323-Y327 HydrophobicContact CD2-CD1 3.69Å; L323-Y327 HydrophobicContact CD2-CE1 3.98Å; S324-Y327 PolarHBondContact O-N 3.42Å; S324-Y327 WeakPolarHBondContact OG-CB 3.43Å; A325-Y327 VanDerWaalsContact C-N 3.34Å; A325-Y327 PolarHBondContact O-N 2.85Å; Y327-T329 PolarHBondContact O-N 3.15Å; Y327-D330 PolarHBondContact O-N 3.37Å; Y327-H331 PolarHBondContact O-N 3.14Å
328I71.8Confident69Low26 Ų2673 Ų7313%0.13340%0.404CS..Hα-helixtrans-57.7-34.1178.8-166.3168.6000112.2V314 L323 S324 D330 H331 M332V314-I328 HydrophobicContact CB-CD1 3.9Å; V314-I328 HydrophobicContact CG1-CD1 3.65Å; L323-I328 HydrophobicContact CD1-CB 4.47Å; L323-I328 HydrophobicContact CD1-CG1 4.15Å; S324-I328 PolarHBondContact O-N 2.93Å; I328-D330 PolarHBondContact O-N 3.48Å; I328-H331 CarbonylContact O-C 3.55Å; I328-H331 PolarHBondContact O-N 3Å; I328-M332 HydrophobicContact CG1-CE 3.82Å; I328-M332 WeakPolarHBondContact O-CG 3.48Å; I328-M332 PolarHBondContact O-N 2.81Å
329T73.2Confident68.6Low103 Ų10375.4 Ų75.463%0.63241%0.414SS*.Hα-helixtrans-63.3-37.4176.4-60.70000112.8Y327Y327-T329 PolarHBondContact O-N 3.15Å
330D71.1Confident68.4Low69 Ų6976.8 Ų76.837%0.36942%0.416SS..Hα-helixtrans-81.1-31.7176-157.454.9000111.4Y327 I328 M332 R333Y327-D330 PolarHBondContact O-N 3.37Å; I328-D330 PolarHBondContact O-N 3.48Å; D330-M332 VanDerWaalsContact C-N 3.3Å; D330-M332 PolarHBondContact O-N 3.36Å; D330-R333 WeakPolarHBondContact O-CB 3.27Å; D330-R333 PolarHBondContact O-N 3.44Å; D330-R333 IonicContact OD1-CZ 3.24Å; D330-R333 IonicContact OD1-NE 2.99Å; D330-R333 PolarHBondContact OD1-NE 3.45Å; D330-R333 IonicContact OD1-NH2 2.66Å; D330-R333 PolarHBondContact OD1-NH2 3.37Å
331H75.1Confident68.4Low14 Ų1476.7 Ų76.77%0.06540%0.4CS..Hα-helixtrans-61.8-35.5168.5-177.548.4000112.6C319 L323 Y327 I328 R333 V334 H335C319-H331 PolarHBondContact SG-NE2 3.41Å; L323-H331 HydrophobicContact CD1-CB 4.37Å; L323-H331 WeakPolarHBondContact CD1-CD2 3.45Å; L323-H331 HydrophobicContact CD2-CB 3.83Å; Y327-H331 PolarHBondContact O-N 3.14Å; I328-H331 CarbonylContact O-C 3.55Å; I328-H331 PolarHBondContact O-N 3Å; H331-R333 PolarHBondContact O-N 2.83Å; H331-V334 WeakPolarHBondContact O-CA 3.42Å; H331-V334 VanDerWaalsContact O-CB 3.23Å; H331-V334 WeakPolarHBondContact O-CB 3.42Å; H331-V334 PolarHBondContact O-N 3.13Å; H331-H335 AromaticContact CD2-NE2 3.04Å; H331-H335 PolarHBondContact CD2-NE2 3.1Å; H331-H335 AromaticContact CE1-CD2 3.88Å; H331-H335 AromaticContact CE1-NE2 2.64Å; H331-H335 PolarHBondContact CE1-NE2 3.36Å; H331-H335 AromaticContact CG-NE2 3.83Å; H331-H335 AromaticContact ND1-NE2 3.63Å; H331-H335 AromaticContact NE2-CD2 3.75Å; H331-H335 AromaticContact NE2-NE2 2.14Å; H331-H335 PolarHBondContact NE2-NE2 2.92Å; H331-H335 PolarHBondContact O-CD2 3.43Å; H331-H335 PolarHBondContact O-N 3.45Å
332M69.4Low68.2Low44 Ų4473.5 Ų73.522%0.21739%0.392CS..Hα-helixtrans-64.2-25.6173-71.9-46.496.500112.2C316 I318 I328 D330 V334 H335 N336C316-M332 HydrophobicContact CB-CE 4.06Å; C316-M332 WeakPolarHBondContact SG-CE 3.17Å; I318-M332 HydrophobicContact CD1-SD 4.24Å; I328-M332 HydrophobicContact CG1-CE 3.82Å; I328-M332 WeakPolarHBondContact O-CG 3.48Å; I328-M332 PolarHBondContact O-N 2.81Å; D330-M332 VanDerWaalsContact C-N 3.3Å; D330-M332 PolarHBondContact O-N 3.36Å; M332-V334 PolarHBondContact O-N 2.95Å; M332-H335 PolarHBondContact O-N 3.37Å; M332-N336 VanDerWaalsContact O-CB 3.28Å; M332-N336 WeakPolarHBondContact O-CB 3.23Å; M332-N336 PolarHBondContact O-N 3.24Å
333R74.1Confident68.5Low147 Ų14768.3 Ų68.356%0.55537%0.365SS*.Hα-helixtrans-63.1-33.9170.3-164-156.4-57.4-99.80.8111.7D330 H331 H335 N336 Q337D330-R333 WeakPolarHBondContact O-CB 3.27Å; D330-R333 PolarHBondContact O-N 3.44Å; D330-R333 IonicContact OD1-CZ 3.24Å; D330-R333 IonicContact OD1-NE 2.99Å; D330-R333 PolarHBondContact OD1-NE 3.45Å; D330-R333 IonicContact OD1-NH2 2.66Å; D330-R333 PolarHBondContact OD1-NH2 3.37Å; H331-R333 PolarHBondContact O-N 2.83Å; R333-H335 VanDerWaalsContact C-N 3.29Å; R333-N336 PolarHBondContact O-N 2.87Å; R333-Q337 WeakPolarHBondContact O-CB 3.38Å; R333-Q337 VanDerWaalsContact O-CG 3.27Å; R333-Q337 WeakPolarHBondContact O-CG 3.42Å; R333-Q337 PolarHBondContact O-N 3.2Å
334V67.1Low68.4Low41 Ų4175 Ų7525%0.24840%0.395CS..Hα-helixtrans-68.3-31.4177.9-1710000111H331 M332 T351H331-V334 WeakPolarHBondContact O-CA 3.42Å; H331-V334 VanDerWaalsContact O-CB 3.23Å; H331-V334 WeakPolarHBondContact O-CB 3.42Å; H331-V334 PolarHBondContact O-N 3.13Å; M332-V334 PolarHBondContact O-N 2.95Å; V334-T351 VanDerWaalsContact CG1-CB 3.46Å; V334-T351 HydrophobicContact CG1-CG2 3.41Å; V334-T351 VanDerWaalsContact CG1-CG2 3.41Å
335H66.6Low68.5Low20 Ų2078.5 Ų78.59%0.09341%0.413CS..Hα-helixtrans-81.6-35.9173.9-66.6-78.9000113.5C316 I318 C319 H331 M332 R333 Q337 H340C316-H335 PolarHBondContact SG-NE2 3.41Å; I318-H335 HydrophobicContact CD1-CB 3.61Å; I318-H335 WeakPolarHBondContact CG2-ND1 3.46Å; C319-H335 WeakPolarHBondContact CB-CE1 3.38Å; C319-H335 PolarHBondContact SG-CE1 3.48Å; C319-H335 PolarHBondContact SG-NE2 3.05Å; H331-H335 AromaticContact CD2-NE2 3.04Å; H331-H335 PolarHBondContact CD2-NE2 3.1Å; H331-H335 AromaticContact CE1-CD2 3.88Å; H331-H335 AromaticContact CE1-NE2 2.64Å; H331-H335 PolarHBondContact CE1-NE2 3.36Å; H331-H335 AromaticContact CG-NE2 3.83Å; H331-H335 AromaticContact ND1-NE2 3.63Å; H331-H335 AromaticContact NE2-CD2 3.75Å; H331-H335 AromaticContact NE2-NE2 2.14Å; H331-H335 PolarHBondContact NE2-NE2 2.92Å; H331-H335 PolarHBondContact O-CD2 3.43Å; H331-H335 PolarHBondContact O-N 3.45Å; M332-H335 PolarHBondContact O-N 3.37Å; R333-H335 VanDerWaalsContact C-N 3.29Å; H335-Q337 VanDerWaalsContact C-N 3.3Å; H335-H340 WeakPolarHBondContact CA-NE2 3.43Å; H335-H340 WeakPolarHBondContact CB-NE2 3.45Å; H335-H340 AromaticContact CG-NE2 3.62Å; H335-H340 AromaticContact ND1-NE2 3.15Å; H335-H340 PolarHBondContact ND1-NE2 3.11Å; H335-H340 VanDerWaalsContact ND1-NE2 3.15Å; H335-H340 PolarHBondContact O-NE2 2.68Å
336N64.1Low68.8Low140 Ų14078.5 Ų78.575%0.74941%0.409SS*.Hα-helixtrans-74.7-21.5178.3-163.6-48.2000111.9M332 R333 S338M332-N336 VanDerWaalsContact O-CB 3.28Å; M332-N336 WeakPolarHBondContact O-CB 3.23Å; M332-N336 PolarHBondContact O-N 3.24Å; R333-N336 PolarHBondContact O-N 2.87Å; N336-S338 VanDerWaalsContact C-N 3.33Å; N336-S338 PolarHBondContact O-N 3.18Å
337Q61.5Low68.7Low118 Ų11881.6 Ų81.655%0.55142%0.416SS*.SBendtrans-73.890161.2-74173.93.500108.6R333 H335 Q339R333-Q337 WeakPolarHBondContact O-CB 3.38Å; R333-Q337 VanDerWaalsContact O-CG 3.27Å; R333-Q337 WeakPolarHBondContact O-CG 3.42Å; R333-Q337 PolarHBondContact O-N 3.2Å; H335-Q337 VanDerWaalsContact C-N 3.3Å; Q337-Q339 PolarHBondContact O-N 3.29Å
338S52.2Low68.7Low101 Ų10183.1 Ų83.171%0.70642%0.421SS*.  trans-6842.9-176.352.40000115.1N336N336-S338 VanDerWaalsContact C-N 3.33Å; N336-S338 PolarHBondContact O-N 3.18Å
339Q58.5Low68.4Low141 Ų14185.2 Ų85.266%0.65944%0.438SS*.  trans-12950173.7-73.9-72.4-50.500108.6Q337 H341Q337-Q339 PolarHBondContact O-N 3.29Å; Q339-H341 PolarHBondContact O-N 2.89Å
340H65.2Low68.3Low73 Ų7381.5 Ų81.534%0.33841%0.413SS..  trans-63.8118.4161.7-68.8119.2000108.1H335 S342 F350H335-H340 WeakPolarHBondContact CA-NE2 3.43Å; H335-H340 WeakPolarHBondContact CB-NE2 3.45Å; H335-H340 AromaticContact CG-NE2 3.62Å; H335-H340 AromaticContact ND1-NE2 3.15Å; H335-H340 PolarHBondContact ND1-NE2 3.11Å; H335-H340 VanDerWaalsContact ND1-NE2 3.15Å; H335-H340 PolarHBondContact O-NE2 2.68Å; H340-S342 PolarHBondContact O-N 2.95Å; H340-S342 VanDerWaalsContact O-N 3.15Å; H340-F350 WeakPolarHBondContact CA-O 3.21Å
341H67.6Low68Low54 Ų5481 Ų8125%0.2541%0.412CS..EExtended strand (participates in β ladder)trans-81100.7174.8-54.3-72.1000107.5Q339 F350 L353 L356Q339-H341 PolarHBondContact O-N 2.89Å; H341-F350 PolarHBondContact N-O 3.07Å; H341-F350 WeakPolarHBondContact O-CB 3.41Å; H341-F350 PolarHBondContact O-N 2.96Å; H341-L353 HydrophobicContact CB-CD1 4.18Å; H341-L353 PolarHBondContact CD2-N 3.36Å; H341-L356 HydrophobicContact CB-CB 4.17Å; H341-L356 HydrophobicContact CB-CD2 3.65Å
342S66.5Low67.6Low45 Ų4583.4 Ų83.432%0.31543%0.428SS..EExtended strand (participates in β ladder)trans-72.9143.7173.643.40000110.8H340 H344 R348 L356H340-S342 PolarHBondContact O-N 2.95Å; H340-S342 VanDerWaalsContact O-N 3.15Å; S342-H344 PolarHBondContact O-N 3.14Å; S342-R348 WeakPolarHBondContact CA-O 3.32Å; S342-L356 WeakPolarHBondContact O-CD2 3.34Å
343C77.6Confident67.6Low4 Ų485.3 Ų85.33%0.02744%0.439CS..  trans-78.4114.2164-172.60000108.6L345 C346 N347 R348 F350 L356C343-L345 PolarHBondContact O-N 3.1Å; C343-L345 VanDerWaalsContact O-N 3.09Å; C343-C346 VanDerWaalsContact CB-SG 3.59Å; C343-C346 PolarHBondContact O-N 3.39Å; C343-C346 VanDerWaalsContact O-N 3.16Å; C343-N347 WeakPolarHBondContact O-CA 3.32Å; C343-N347 PolarHBondContact O-N 3.02Å; C343-R348 PolarHBondContact N-O 2.85Å; C343-F350 HydrophobicContact CB-CE2 4.33Å; C343-L356 HydrophobicContact CB-CD1 3.53Å
344H72.4Confident67.6Low164 Ų16483 Ų8376%0.75944%0.441SS*.THydrogen-bonded Turntrans-59.8-22.2-179.7-61.3-72.7000113.6S342S342-H344 PolarHBondContact O-N 3.14Å
345L75.7Confident67.8Low86 Ų8688.5 Ų88.545%0.4546%0.459SS..THydrogen-bonded Turntrans-88.7-9.5-178-56.7172.7000114.1C343 H364C343-L345 PolarHBondContact O-N 3.1Å; C343-L345 VanDerWaalsContact O-N 3.09Å; L345-H364 WeakPolarHBondContact CB-CE1 3.5Å; L345-H364 WeakPolarHBondContact CB-ND1 3.45Å; L345-H364 HydrophobicContact CD1-CB 3.58Å
346C77.3Confident68.3Low58 Ų5888.4 Ų88.439%0.39246%0.459SS..THydrogen-bonded Turntrans-151.310.7177.870.50000114.9C343 R348 H359C343-C346 VanDerWaalsContact CB-SG 3.59Å; C343-C346 PolarHBondContact O-N 3.39Å; C343-C346 VanDerWaalsContact O-N 3.16Å; C346-R348 PolarHBondContact O-N 3.08Å; C346-H359 PolarHBondContact SG-NE2 3.44Å
347N65.5Low68.9Low131 Ų13188.2 Ų88.270%0.70145%0.447SS*.  trans49.312.6-177.1-72.1-40.1000117.2C343 S349C343-N347 WeakPolarHBondContact O-CA 3.32Å; C343-N347 PolarHBondContact O-N 3.02Å; N347-S349 PolarHBondContact O-N 2.7Å
348R70.3Confident69.6Low166 Ų16685.9 Ų85.963%0.62644%0.441SS*.  trans-73.1126.3-179.4-158.6169-171.2127.5-1.3110.6S342 C343 C346 F350S342-R348 WeakPolarHBondContact CA-O 3.32Å; C343-R348 PolarHBondContact N-O 2.85Å; C346-R348 PolarHBondContact O-N 3.08Å; R348-F350 HydrophobicContact CB-CE2 3.92Å; R348-F350 HydrophobicContact CB-CZ 4.18Å; R348-F350 HydrophobicContact CG-CE2 4.15Å; R348-F350 HydrophobicContact CG-CZ 3.96Å; R348-F350 VanDerWaalsContact O-CD2 3.23Å; R348-F350 WeakPolarHBondContact O-CD2 3.42Å; R348-F350 WeakPolarHBondContact O-CE2 3.37Å
349S65.7Low70.9Confident70 Ų7082 Ų8249%0.4941%0.412SS..EExtended strand (participates in β ladder)trans-89.1127.5-172.856.70000113.4N347N347-S349 PolarHBondContact O-N 2.7Å
350F70.1Confident71.7Confident26 Ų2675.3 Ų75.311%0.11438%0.38CS..EExtended strand (participates in β ladder)trans-115.1143.6179.2-63.1-85.3000113.3H340 H341 C343 R348 T352 Y355 L356 H359H340-F350 WeakPolarHBondContact CA-O 3.21Å; H341-F350 PolarHBondContact N-O 3.07Å; H341-F350 WeakPolarHBondContact O-CB 3.41Å; H341-F350 PolarHBondContact O-N 2.96Å; C343-F350 HydrophobicContact CB-CE2 4.33Å; R348-F350 HydrophobicContact CB-CE2 3.92Å; R348-F350 HydrophobicContact CB-CZ 4.18Å; R348-F350 HydrophobicContact CG-CE2 4.15Å; R348-F350 HydrophobicContact CG-CZ 3.96Å; R348-F350 VanDerWaalsContact O-CD2 3.23Å; R348-F350 WeakPolarHBondContact O-CD2 3.42Å; R348-F350 WeakPolarHBondContact O-CE2 3.37Å; F350-T352 VanDerWaalsContact C-N 3.32Å; F350-T352 PolarHBondContact O-N 2.83Å; F350-Y355 HydrophobicContact CD1-CD1 4.46Å; F350-L356 HydrophobicContact CB-CB 4.03Å; F350-L356 HydrophobicContact CD2-CB 4.01Å; F350-L356 HydrophobicContact CD2-CD1 3.76Å; F350-L356 HydrophobicContact CD2-CG 4.48Å; F350-L356 HydrophobicContact CE2-CD1 4.1Å; F350-L356 HydrophobicContact CG-CB 4.15Å; F350-H359 HydrophobicContact CE1-CB 3.8Å; F350-H359 AromaticContact CE1-CG 3.96Å; F350-H359 HydrophobicContact CE2-CB 4.05Å; F350-H359 AromaticContact CE2-CD2 3.26Å; F350-H359 WeakPolarHBondContact CE2-CD2 3.44Å; F350-H359 AromaticContact CE2-CG 3.66Å; F350-H359 AromaticContact CE2-NE2 3.85Å; F350-H359 HydrophobicContact CZ-CB 3.51Å; F350-H359 AromaticContact CZ-CD2 3.29Å; F350-H359 WeakPolarHBondContact CZ-CD2 3.5Å; F350-H359 AromaticContact CZ-CG 3.18Å; F350-H359 AromaticContact CZ-ND1 3.68Å; F350-H359 AromaticContact CZ-NE2 3.82Å
351T66.3Low72.4Confident58 Ų5878.1 Ų78.136%0.35639%0.394SS..SBendtrans-80.6-10.2-174.758.60000114V334V334-T351 VanDerWaalsContact CG1-CB 3.46Å; V334-T351 HydrophobicContact CG1-CG2 3.41Å; V334-T351 VanDerWaalsContact CG1-CG2 3.41Å
352T65.9Low72.6Confident64 Ų6483.7 Ų83.739%0.39342%0.417SS..SBendtrans-151.5146.8173.658.60000110F350 T354 Y355 L356F350-T352 VanDerWaalsContact C-N 3.32Å; F350-T352 PolarHBondContact O-N 2.83Å; T352-T354 PolarHBondContact O-N 2.98Å; T352-Y355 PolarHBondContact O-N 3.12Å; T352-L356 PolarHBondContact O-N 3.15Å
353L69.1Low72.7Confident84 Ų8487.8 Ų87.844%0.4443%0.431SS..Hα-helixtrans-58.6-33179.4-163.182.3000112.3H341 Y355 L356 R357H341-L353 HydrophobicContact CB-CD1 4.18Å; H341-L353 PolarHBondContact CD2-N 3.36Å; L353-Y355 VanDerWaalsContact C-N 3.35Å; L353-Y355 PolarHBondContact O-N 3Å; L353-L356 PolarHBondContact O-N 2.84Å; L353-R357 PolarHBondContact O-N 3.1Å
354T73.5Confident72.3Confident100 Ų10088.9 Ų88.961%0.61344%0.436SS*.Hα-helixtrans-61.4-41.4175.9-43.10000111.9T352 R357 V358T352-T354 PolarHBondContact O-N 2.98Å; T354-R357 PolarHBondContact O-N 3.12Å; T354-V358 WeakPolarHBondContact O-CG2 3.29Å; T354-V358 PolarHBondContact O-N 3.45Å; T354-V358 VanDerWaalsContact O-N 3.1Å
355Y71.6Confident71.7Confident156 Ų15682.9 Ų82.961%0.61242%0.418SS*.Hα-helixtrans-71.8-36.6177.6-114.6-82.9000112.2F350 T352 L353 H359F350-Y355 HydrophobicContact CD1-CD1 4.46Å; T352-Y355 PolarHBondContact O-N 3.12Å; L353-Y355 VanDerWaalsContact C-N 3.35Å; L353-Y355 PolarHBondContact O-N 3Å; Y355-H359 WeakPolarHBondContact O-CB 3.48Å; Y355-H359 PolarHBondContact O-N 3.29Å
356L77.1Confident70.8Confident17 Ų1785.8 Ų85.89%0.08943%0.429CS..Hα-helixtrans-58.3-48.5170.2170.959.6000110.7H341 S342 C343 F350 T352 L353 V358 H359 A360H341-L356 HydrophobicContact CB-CB 4.17Å; H341-L356 HydrophobicContact CB-CD2 3.65Å; S342-L356 WeakPolarHBondContact O-CD2 3.34Å; C343-L356 HydrophobicContact CB-CD1 3.53Å; F350-L356 HydrophobicContact CB-CB 4.03Å; F350-L356 HydrophobicContact CD2-CB 4.01Å; F350-L356 HydrophobicContact CD2-CD1 3.76Å; F350-L356 HydrophobicContact CD2-CG 4.48Å; F350-L356 HydrophobicContact CE2-CD1 4.1Å; F350-L356 HydrophobicContact CG-CB 4.15Å; T352-L356 PolarHBondContact O-N 3.15Å; L353-L356 PolarHBondContact O-N 2.84Å; L356-V358 PolarHBondContact O-N 3.21Å; L356-H359 WeakPolarHBondContact O-CB 3.34Å; L356-H359 PolarHBondContact O-N 2.87Å; L356-H359 VanDerWaalsContact O-N 3.14Å; L356-A360 WeakPolarHBondContact O-CB 3.18Å; L356-A360 PolarHBondContact O-N 3.37Å
357R76.8Confident69.7Low136 Ų13687.8 Ų87.851%0.51343%0.433SS..Hα-helixtrans-60.6-44.6-179-171.8177.5-64.6155.21.1112.5L353 T354 H359 A360 Q361L353-R357 PolarHBondContact O-N 3.1Å; T354-R357 PolarHBondContact O-N 3.12Å; R357-H359 VanDerWaalsContact C-N 3.3Å; R357-H359 PolarHBondContact O-N 3.43Å; R357-A360 PolarHBondContact O-N 3Å; R357-Q361 VanDerWaalsContact O-CB 3.26Å; R357-Q361 WeakPolarHBondContact O-CB 3.21Å; R357-Q361 PolarHBondContact O-N 3.11Å
358V76.8Confident68.8Low70 Ų7086.6 Ų86.642%0.42442%0.419SS..Hα-helixtrans-65.2-33.6176.5172.40000111.9T354 L356 K362T354-V358 WeakPolarHBondContact O-CG2 3.29Å; T354-V358 PolarHBondContact O-N 3.45Å; T354-V358 VanDerWaalsContact O-N 3.1Å; L356-V358 PolarHBondContact O-N 3.21Å; V358-K362 WeakPolarHBondContact O-CB 3.27Å; V358-K362 WeakPolarHBondContact O-CG 3.33Å; V358-K362 PolarHBondContact O-N 3Å
359H79.9Confident67.8Low19 Ų1986.6 Ų86.69%0.08842%0.423CS..Hα-helixtrans-70.6-50.9173.7165.272.9000112C346 F350 Y355 L356 R357 Q361 K362 H363C346-H359 PolarHBondContact SG-NE2 3.44Å; F350-H359 HydrophobicContact CE1-CB 3.8Å; F350-H359 AromaticContact CE1-CG 3.96Å; F350-H359 HydrophobicContact CE2-CB 4.05Å; F350-H359 AromaticContact CE2-CD2 3.26Å; F350-H359 WeakPolarHBondContact CE2-CD2 3.44Å; F350-H359 AromaticContact CE2-CG 3.66Å; F350-H359 AromaticContact CE2-NE2 3.85Å; F350-H359 HydrophobicContact CZ-CB 3.51Å; F350-H359 AromaticContact CZ-CD2 3.29Å; F350-H359 WeakPolarHBondContact CZ-CD2 3.5Å; F350-H359 AromaticContact CZ-CG 3.18Å; F350-H359 AromaticContact CZ-ND1 3.68Å; F350-H359 AromaticContact CZ-NE2 3.82Å; Y355-H359 WeakPolarHBondContact O-CB 3.48Å; Y355-H359 PolarHBondContact O-N 3.29Å; L356-H359 WeakPolarHBondContact O-CB 3.34Å; L356-H359 PolarHBondContact O-N 2.87Å; L356-H359 VanDerWaalsContact O-N 3.14Å; R357-H359 VanDerWaalsContact C-N 3.3Å; R357-H359 PolarHBondContact O-N 3.43Å; H359-Q361 VanDerWaalsContact C-N 3.32Å; H359-Q361 PolarHBondContact O-N 3.48Å; H359-K362 PolarHBondContact O-N 3.39Å; H359-H363 AromaticContact CE1-CD2 3.41Å; H359-H363 PolarHBondContact CE1-CD2 2.92Å; H359-H363 VanDerWaalsContact CE1-CD2 3.41Å; H359-H363 AromaticContact CE1-CG 3.61Å; H359-H363 AromaticContact CE1-NE2 3.88Å; H359-H363 AromaticContact ND1-CD2 3.05Å; H359-H363 PolarHBondContact ND1-CD2 3.5Å; H359-H363 AromaticContact ND1-CG 3.74Å; H359-H363 AromaticContact ND1-NE2 3.48Å; H359-H363 PolarHBondContact ND1-NE2 2.8Å; H359-H363 PolarHBondContact O-CD2 3.41Å; H359-H363 PolarHBondContact O-N 2.93Å
360A75.5Confident66.8Low0 Ų091.4 Ų91.40%044%0.438CS..Hα-helixtrans-57.9-44.2178.900000111.5L356 R357 K362 H363 H364 W368L356-A360 WeakPolarHBondContact O-CB 3.18Å; L356-A360 PolarHBondContact O-N 3.37Å; R357-A360 PolarHBondContact O-N 3Å; A360-K362 PolarHBondContact O-N 3.04Å; A360-H363 PolarHBondContact O-N 2.83Å; A360-H364 CarbonylContact O-C 3.56Å; A360-H364 WeakPolarHBondContact O-CA 3.48Å; A360-H364 WeakPolarHBondContact O-CB 3.46Å; A360-H364 PolarHBondContact O-N 3Å; A360-W368 HydrophobicContact CB-CD2 3.86Å; A360-W368 HydrophobicContact CB-CE3 3.66Å; A360-W368 HydrophobicContact CB-CG 4.39Å; A360-W368 HydrophobicContact CB-CZ3 4.05Å
361Q78.9Confident66Low133 Ų13395 Ų9562%0.62147%0.467SS*.Hα-helixtrans-62.8-26.4175.9-171.4176.58.600113.7R357 H359R357-Q361 VanDerWaalsContact O-CB 3.26Å; R357-Q361 WeakPolarHBondContact O-CB 3.21Å; R357-Q361 PolarHBondContact O-N 3.11Å; H359-Q361 VanDerWaalsContact C-N 3.32Å; H359-Q361 PolarHBondContact O-N 3.48Å
362K73.2Confident64.9Low170 Ų17094.2 Ų94.274%0.73947%0.469SS*.Hα-helixtrans-92.7-27.8179.5-77.9-170.4172.8-162.30114.9V358 H359 A360V358-K362 WeakPolarHBondContact O-CB 3.27Å; V358-K362 WeakPolarHBondContact O-CG 3.33Å; V358-K362 PolarHBondContact O-N 3Å; H359-K362 PolarHBondContact O-N 3.39Å; A360-K362 PolarHBondContact O-N 3.04Å
363H66.9Low63.8Low132 Ų13294.4 Ų94.461%0.61149%0.485SS*.Hα-helixtrans-107.3-26.1-176.3-70.9-96.4000113.7H359 A360H359-H363 AromaticContact CE1-CD2 3.41Å; H359-H363 PolarHBondContact CE1-CD2 2.92Å; H359-H363 VanDerWaalsContact CE1-CD2 3.41Å; H359-H363 AromaticContact CE1-CG 3.61Å; H359-H363 AromaticContact CE1-NE2 3.88Å; H359-H363 AromaticContact ND1-CD2 3.05Å; H359-H363 PolarHBondContact ND1-CD2 3.5Å; H359-H363 AromaticContact ND1-CG 3.74Å; H359-H363 AromaticContact ND1-NE2 3.48Å; H359-H363 PolarHBondContact ND1-NE2 2.8Å; H359-H363 PolarHBondContact O-CD2 3.41Å; H359-H363 PolarHBondContact O-N 2.93Å; A360-H363 PolarHBondContact O-N 2.83Å
364H69.9Low62.8Low27 Ų2795.5 Ų95.513%0.12551%0.506CS..SBendtrans-129.333.5-175.6-55.9-83.4000110.7L345 A360 Q366 E367 W368L345-H364 WeakPolarHBondContact CB-CE1 3.5Å; L345-H364 WeakPolarHBondContact CB-ND1 3.45Å; L345-H364 HydrophobicContact CD1-CB 3.58Å; A360-H364 CarbonylContact O-C 3.56Å; A360-H364 WeakPolarHBondContact O-CA 3.48Å; A360-H364 WeakPolarHBondContact O-CB 3.46Å; A360-H364 PolarHBondContact O-N 3Å; H364-Q366 PolarHBondContact O-N 3.07Å; H364-Q366 VanDerWaalsContact O-N 3.13Å; H364-E367 IonicContact ND1-OE2 3.71Å; H364-E367 PolarHBondContact ND1-OE2 3.38Å; H364-E367 PolarHBondContact O-N 3.33Å; H364-W368 WeakPolarHBondContact O-CB 3.47Å; H364-W368 PolarHBondContact O-N 3.16Å
365G60.4Low61.5Low37 Ų37100.9 Ų100.938%0.38152%0.515SS..THydrogen-bonded Turntrans-64.5-18.4-165.900000116.2
366Q56.9Low59.9Low147 Ų14797.5 Ų97.569%0.68753%0.527SS*.THydrogen-bonded Turntrans-80.6-66170.4-61.7-74.340.900109.9H364 W368 K369 E370H364-Q366 PolarHBondContact O-N 3.07Å; H364-Q366 VanDerWaalsContact O-N 3.13Å; Q366-W368 VanDerWaalsContact C-N 3.26Å; Q366-W368 PolarHBondContact O-N 3.42Å; Q366-W368 VanDerWaalsContact O-N 3.15Å; Q366-K369 WeakPolarHBondContact O-CA 3.08Å; Q366-K369 WeakPolarHBondContact O-CB 3.38Å; Q366-K369 PolarHBondContact O-N 3.34Å; Q366-E370 PolarHBondContact O-N 3.13Å
367E52.7Low57.8Low100 Ų100101.2 Ų101.247%0.46756%0.56SS.*Hα-helixtrans-55.4-37.1-176.3-53.7173.2111.800113.4H364 K369 E370 S371H364-E367 IonicContact ND1-OE2 3.71Å; H364-E367 PolarHBondContact ND1-OE2 3.38Å; H364-E367 PolarHBondContact O-N 3.33Å; E367-K369 VanDerWaalsContact C-N 3.28Å; E367-K369 PolarHBondContact O-N 2.92Å; E367-E370 PolarHBondContact O-N 2.65Å; E367-S371 WeakPolarHBondContact O-CB 3.18Å; E367-S371 PolarHBondContact O-N 3.18Å; E367-S371 PolarHBondContact O-OG 3.33Å
368W47.8Very low55.6Low107 Ų107105.4 Ų105.441%0.40558%0.583SS.*Hα-helixtrans-68.2-25.8177.2-175.2-86.8000112.9A360 H364 Q366 G372A360-W368 HydrophobicContact CB-CD2 3.86Å; A360-W368 HydrophobicContact CB-CE3 3.66Å; A360-W368 HydrophobicContact CB-CG 4.39Å; A360-W368 HydrophobicContact CB-CZ3 4.05Å; H364-W368 WeakPolarHBondContact O-CB 3.47Å; H364-W368 PolarHBondContact O-N 3.16Å; Q366-W368 VanDerWaalsContact C-N 3.26Å; Q366-W368 PolarHBondContact O-N 3.42Å; Q366-W368 VanDerWaalsContact O-N 3.15Å; W368-G372 WeakPolarHBondContact O-CA 3.33Å; W368-G372 PolarHBondContact O-N 3.38Å; W368-G372 VanDerWaalsContact O-N 3.08Å
369K49.1Very low53.5Low166 Ų166106 Ų10672%0.72260%0.603SS**Hα-helixtrans-74.5-32177.7-166.9-173.3176.4-165.90111.5Q366 E367Q366-K369 WeakPolarHBondContact O-CA 3.08Å; Q366-K369 WeakPolarHBondContact O-CB 3.38Å; Q366-K369 PolarHBondContact O-N 3.34Å; E367-K369 VanDerWaalsContact C-N 3.28Å; E367-K369 PolarHBondContact O-N 2.92Å
370E45.3Very low51Low170 Ų170108.9 Ų108.979%0.79464%0.638SS**Hα-helixtrans-88.6-36-179.6-66.4170.1125.500111.7Q366 E367 G372Q366-E370 PolarHBondContact O-N 3.13Å; E367-E370 PolarHBondContact O-N 2.65Å; E370-G372 VanDerWaalsContact C-N 3.27Å; E370-G372 PolarHBondContact O-N 2.89Å
371S52.5Low49.3Very low103 Ų103114.3 Ų114.372%0.7268%0.683SS**SBendtrans-76.5-12.1171.8-53.70000113.6E367 G373E367-S371 WeakPolarHBondContact O-CB 3.18Å; E367-S371 PolarHBondContact O-N 3.18Å; E367-S371 PolarHBondContact O-OG 3.33Å; S371-G373 PolarHBondContact O-N 2.87Å
372G42.7Very low46.9Very low40 Ų40111.8 Ų111.841%0.41269%0.693SS.*SBendtrans-88.770.2-170.900000114.4W368 E370W368-G372 WeakPolarHBondContact O-CA 3.33Å; W368-G372 PolarHBondContact O-N 3.38Å; W368-G372 VanDerWaalsContact O-N 3.08Å; E370-G372 VanDerWaalsContact C-N 3.27Å; E370-G372 PolarHBondContact O-N 2.89Å
373G44.2Very low45.5Very low69 Ų69108.8 Ų108.871%0.71170%0.699SS**  trans-44.1135.7-177.900000115.2S371 R375S371-G373 PolarHBondContact O-N 2.87Å; G373-R375 PolarHBondContact O-N 3.09Å
374A47.1Very low44.8Very low107 Ų107106 Ų10688%0.88471%0.706SS**SBendtrans-58.598-159.400000115.9
375R47Very low43.8Very low212 Ų212107.7 Ų107.780%0.873%0.731SS**  trans-132.363.1160.5-78.7-165.1154144.3-0111.9G373G373-R375 PolarHBondContact O-N 3.09Å
376G38.1Very low43.8Very low85 Ų85109.1 Ų109.188%0.87673%0.732SS**  trans-133.428.5179.600000114.1
377A32.1Very low44.2Very low95 Ų95105.6 Ų105.679%0.78572%0.718SS**  trans-123.5114.3175.800000109.7
378F29.7Very low44.9Very low224 Ų224105.8 Ų105.898%0.98272%0.721SS**  trans-135.691.6176.4-145.3-80.5000108.6
379G33.1Very low46.1Very low83 Ų83100.7 Ų100.786%0.85670%0.702SS**  trans166.490.4-172.300000110.7
380G28.2Very low47Very low79 Ų79102.1 Ų102.181%0.81471%0.711SS**  trans147.3120.6-178.600000111.5
381A39.7Very low48.2Very low115 Ų11599.6 Ų99.695%0.9570%0.703SS**  trans-88.3136.9170.300000109.5
382G28.1Very low49.1Very low80 Ų8097.7 Ų97.783%0.82569%0.689SS**  trans-174.7141.9179.800000110.7
383A44.8Very low50.5Low106 Ų10698 Ų9888%0.87669%0.692SS**  trans-96.5157.9-172.100000113.3G385A383-G385 PolarHBondContact O-N 3.35Å
384G50.7Low51.9Low73 Ų7398 Ų9875%0.75368%0.678SS**  trans77.89.1145.700000119.4V386G384-V386 PolarHBondContact O-N 3.18Å
385G50.3Low52.8Low63 Ų6399.7 Ų99.765%0.64967%0.668SS**  trans-62.6100.9178.600000113.9A383A383-G385 PolarHBondContact O-N 3.35Å
386V59.9Low53.8Low67 Ų6790 Ų9041%0.40663%0.633SS.*PPolyproline II helixtrans-80.3134.3172.1-178.50000109.5G384 Q395G384-V386 PolarHBondContact O-N 3.18Å; V386-Q395 HydrophobicContact CG1-CB 3.68Å; V386-Q395 HydrophobicContact CG1-CG 3.96Å
387L64.9Low55Low73 Ų7394.1 Ų94.138%0.38263%0.626SS.*EExtended strand (participates in β ladder)trans-102.2130.2-175.8-58.3172.8000110.6C396 A399 L402L387-C396 PolarHBondContact N-O 3.25Å; L387-C396 PolarHBondContact O-N 2.85Å; L387-A399 HydrophobicContact CD1-CB 3.73Å; L387-L402 HydrophobicContact CB-CD2 3.9Å
388L68.6Low56.8Low104 Ų10492.8 Ų92.855%0.54561%0.608SS.*EExtended strand (participates in β ladder)trans-92.1139.5-179.1-70.8162.5000111.6G393 Q395L388-G393 VanDerWaalsContact CD2-O 3.24Å; L388-G393 WeakPolarHBondContact CD2-O 3.38Å; L388-Q395 HydrophobicContact CD2-CG 3.46Å; L388-Q395 VanDerWaalsContact CD2-CG 3.46Å
389C72.6Confident58.6Low1 Ų183.2 Ų83.21%0.00757%0.571CS.*PPolyproline II helixtrans-75.2119.1165.2-173.90000110.5L391 C392 G393 V394 L402C389-L391 PolarHBondContact O-N 2.89Å; C389-C392 PolarHBondContact O-N 2.84Å; C389-G393 WeakPolarHBondContact O-CA 3.27Å; C389-G393 PolarHBondContact O-N 3.06Å; C389-V394 HydrophobicContact CB-CB 4.32Å; C389-V394 PolarHBondContact N-O 3.33Å; C389-L402 HydrophobicContact CB-CD1 3.74Å
390Q67.5Low60.4Low195 Ų19584.8 Ų84.891%0.91156%0.564SS**THydrogen-bonded Turntrans-69.6-15.5-178.6-70.8178.2-43.600113.9
391L69.6Low62.3Low117 Ų11786.3 Ų86.361%0.61355%0.55SS*.THydrogen-bonded Turntrans-92.5-14179.7-61.5-178.2000114.3C389 M406 H409C389-L391 PolarHBondContact O-N 2.89Å; L391-M406 HydrophobicContact CB-CE 4.43Å; L391-M406 HydrophobicContact CD1-CE 3.55Å; L391-M406 HydrophobicContact CG-CE 3.88Å; L391-H409 HydrophobicContact CD1-CB 3.83Å
392C73.4Confident64Low63 Ų6382.3 Ų82.343%0.42651%0.512SS..THydrogen-bonded Turntrans-156.96.4-176.262.30000115.7C389 V394 H405 H409C389-C392 PolarHBondContact O-N 2.84Å; C392-V394 PolarHBondContact O-N 3.34Å; C392-V394 VanDerWaalsContact SG-CG2 3.59Å; C392-H405 VanDerWaalsContact SG-CE1 3.56Å; C392-H405 PolarHBondContact SG-NE2 3.02Å; C392-H409 PolarHBondContact SG-NE2 3.18Å; C392-H409 VanDerWaalsContact SG-NE2 3.36Å
393G70.4Confident66Low47 Ų4785.7 Ų85.749%0.48551%0.507SS..  trans73.8-1.3176.300000116.3L388 C389 Q395L388-G393 VanDerWaalsContact CD2-O 3.24Å; L388-G393 WeakPolarHBondContact CD2-O 3.38Å; C389-G393 WeakPolarHBondContact O-CA 3.27Å; C389-G393 PolarHBondContact O-N 3.06Å; G393-Q395 PolarHBondContact O-N 3.34Å
394V73.6Confident67.4Low68 Ų6883 Ų8341%0.41249%0.49SS..  trans-62.7129.2-175.5172.80000111.9C389 C392 C396 H405C389-V394 HydrophobicContact CB-CB 4.32Å; C389-V394 PolarHBondContact N-O 3.33Å; C392-V394 PolarHBondContact O-N 3.34Å; C392-V394 VanDerWaalsContact SG-CG2 3.59Å; V394-C396 PolarHBondContact O-N 3.31Å; V394-H405 WeakPolarHBondContact CB-NE2 3.33Å
395Q65.9Low68.5Low143 Ų14381.4 Ų81.467%0.66846%0.462SS*.EExtended strand (participates in β ladder)trans-83.7109.3-179.1-79.5-17644.400112.4V386 L388 G393V386-Q395 HydrophobicContact CG1-CB 3.68Å; V386-Q395 HydrophobicContact CG1-CG 3.96Å; L388-Q395 HydrophobicContact CD2-CG 3.46Å; L388-Q395 VanDerWaalsContact CD2-CG 3.46Å; G393-Q395 PolarHBondContact O-N 3.34Å
396C68.4Low69.4Low10 Ų1081.7 Ų81.77%0.06845%0.448CS..EExtended strand (participates in β ladder)trans-102.4120.2177-71.20000111.2L387 V394 T398 Q401 L402L387-C396 PolarHBondContact N-O 3.25Å; L387-C396 PolarHBondContact O-N 2.85Å; V394-C396 PolarHBondContact O-N 3.31Å; C396-T398 PolarHBondContact O-N 3.01Å; C396-Q401 HydrophobicContact CB-CB 4.16Å; C396-L402 HydrophobicContact CB-CB 3.77Å
397K62.8Low69.8Low171 Ų17180.2 Ų80.274%0.74345%0.447SS*.SBendtrans-71.3-10.9-178.9-64.5-178.5-179.81790114
398T69.7Low69.9Low66 Ų6680.8 Ų80.841%0.40545%0.453SS..SBendtrans-143.2150.2176.761.10000111.3C396 T400 Q401 L402C396-T398 PolarHBondContact O-N 3.01Å; T398-T400 PolarHBondContact O-N 3.39Å; T398-Q401 PolarHBondContact O-N 2.85Å; T398-Q401 VanDerWaalsContact OG1-CG 3.32Å; T398-Q401 WeakPolarHBondContact OG1-CG 3.45Å; T398-Q401 PolarHBondContact OG1-N 3.09Å; T398-Q401 PolarHBondContact OG1-OE1 3Å; T398-L402 PolarHBondContact O-N 3.39Å; T398-L402 VanDerWaalsContact O-N 3.11Å
399A68.2Low69.7Low23 Ų2378.8 Ų78.819%0.1944%0.441CS..Hα-helixtrans-61.9-29.9177.200000113L387 L402 Q403L387-A399 HydrophobicContact CD1-CB 3.73Å; A399-L402 PolarHBondContact O-N 3.13Å; A399-Q403 WeakPolarHBondContact O-CB 3.31Å; A399-Q403 PolarHBondContact O-N 3.33Å
400T71.3Confident69.1Low117 Ų11783 Ų8372%0.71848%0.475SS*.Hα-helixtrans-69.2-37.1177.2-34.10000111.8T398 G404T398-T400 PolarHBondContact O-N 3.39Å; T400-G404 PolarHBondContact O-N 2.83Å
401Q68.9Low68.3Low111 Ų11181.6 Ų81.652%0.51947%0.469SS..Hα-helixtrans-65.7-45.1170.9-76.8170.9-49.800111.2C396 T398 Q403 G404 H405C396-Q401 HydrophobicContact CB-CB 4.16Å; T398-Q401 PolarHBondContact O-N 2.85Å; T398-Q401 VanDerWaalsContact OG1-CG 3.32Å; T398-Q401 WeakPolarHBondContact OG1-CG 3.45Å; T398-Q401 PolarHBondContact OG1-N 3.09Å; T398-Q401 PolarHBondContact OG1-OE1 3Å; Q401-Q403 PolarHBondContact O-N 3.48Å; Q401-G404 PolarHBondContact O-N 3.04Å; Q401-H405 VanDerWaalsContact O-CB 3.31Å; Q401-H405 WeakPolarHBondContact O-CB 3.38Å; Q401-H405 PolarHBondContact O-N 2.88Å
402L73.8Confident67.4Low31 Ų3184.4 Ų84.416%0.16248%0.479CS..Hα-helixtrans-59.9-45.1177.1179.355.9000111.5L387 C389 C396 T398 A399 G404 H405 M406L387-L402 HydrophobicContact CB-CD2 3.9Å; C389-L402 HydrophobicContact CB-CD1 3.74Å; C396-L402 HydrophobicContact CB-CB 3.77Å; T398-L402 PolarHBondContact O-N 3.39Å; T398-L402 VanDerWaalsContact O-N 3.11Å; A399-L402 PolarHBondContact O-N 3.13Å; L402-G404 PolarHBondContact O-N 3.24Å; L402-H405 PolarHBondContact O-N 3.26Å; L402-M406 HydrophobicContact CD1-CG 4.07Å; L402-M406 HydrophobicContact CG-CG 4.29Å; L402-M406 WeakPolarHBondContact O-CG 3.47Å; L402-M406 PolarHBondContact O-N 3.33Å
403Q71.1Confident65.5Low150 Ų15085.1 Ų85.170%0.70150%0.497SS*.Hα-helixtrans-67.8-34.8179.8-169.9168.8-1.200112.8A399 Q401 G407A399-Q403 WeakPolarHBondContact O-CB 3.31Å; A399-Q403 PolarHBondContact O-N 3.33Å; Q401-Q403 PolarHBondContact O-N 3.48Å; Q403-G407 PolarHBondContact O-N 2.77Å
404G73.6Confident63.7Low51 Ų5190 Ų9053%0.52651%0.512SS..Hα-helixtrans-65.7-40.3171.100000112.7T400 Q401 L402 G407T400-G404 PolarHBondContact O-N 2.83Å; Q401-G404 PolarHBondContact O-N 3.04Å; L402-G404 PolarHBondContact O-N 3.24Å; G404-G407 PolarHBondContact O-N 3.2Å
405H73.2Confident62.1Low38 Ų3892.6 Ų92.618%0.17653%0.53CS..Hα-helixtrans-71.2-34.8177.3172.334.5000113.1C392 V394 Q401 L402 G407 T408 H409C392-H405 VanDerWaalsContact SG-CE1 3.56Å; C392-H405 PolarHBondContact SG-NE2 3.02Å; V394-H405 WeakPolarHBondContact CB-NE2 3.33Å; Q401-H405 VanDerWaalsContact O-CB 3.31Å; Q401-H405 WeakPolarHBondContact O-CB 3.38Å; Q401-H405 PolarHBondContact O-N 2.88Å; L402-H405 PolarHBondContact O-N 3.26Å; H405-G407 PolarHBondContact O-N 3.34Å; H405-T408 PolarHBondContact ND1-OG1 2.86Å; H405-T408 PolarHBondContact O-N 3.28Å; H405-T408 PolarHBondContact O-OG1 2.92Å; H405-H409 AromaticContact CE1-NE2 3.55Å; H405-H409 AromaticContact NE2-NE2 3.99Å
406M70.1Confident60.6Low69 Ų6989.7 Ų89.734%0.3453%0.531SS..Hα-helixtrans-58.3-31170.3-65.1-10258.300111.4L391 L402 T408 H409L391-M406 HydrophobicContact CB-CE 4.43Å; L391-M406 HydrophobicContact CD1-CE 3.55Å; L391-M406 HydrophobicContact CG-CE 3.88Å; L402-M406 HydrophobicContact CD1-CG 4.07Å; L402-M406 HydrophobicContact CG-CG 4.29Å; L402-M406 WeakPolarHBondContact O-CG 3.47Å; L402-M406 PolarHBondContact O-N 3.33Å; M406-T408 VanDerWaalsContact C-N 3.27Å; M406-T408 PolarHBondContact O-N 3.05Å; M406-H409 PolarHBondContact O-N 3.23Å
407G68.4Low59.5Low37 Ų3795.4 Ų95.438%0.38157%0.568SS.*Hα-helixtrans-64.5-20.6172.500000115.4Q403 G404 H405Q403-G407 PolarHBondContact O-N 2.77Å; G404-G407 PolarHBondContact O-N 3.2Å; H405-G407 PolarHBondContact O-N 3.34Å
408T67.8Low57.9Low84 Ų8494 Ų9452%0.51557%0.568SS.*Hα-helixtrans-79.7-24.2175.764.40000112.6H405 M406H405-T408 PolarHBondContact ND1-OG1 2.86Å; H405-T408 PolarHBondContact O-N 3.28Å; H405-T408 PolarHBondContact O-OG1 2.92Å; M406-T408 VanDerWaalsContact C-N 3.27Å; M406-T408 PolarHBondContact O-N 3.05Å
409H63.9Low56.1Low62 Ų6298.8 Ų98.829%0.28759%0.586SS.*Hα-helixtrans-73.7-32171.6-68.9-80.9000112L391 C392 H405 M406 Q411 Q412L391-H409 HydrophobicContact CD1-CB 3.83Å; C392-H409 PolarHBondContact SG-NE2 3.18Å; C392-H409 VanDerWaalsContact SG-NE2 3.36Å; H405-H409 AromaticContact CE1-NE2 3.55Å; H405-H409 AromaticContact NE2-NE2 3.99Å; M406-H409 PolarHBondContact O-N 3.23Å; H409-Q411 PolarHBondContact O-N 2.92Å; H409-Q411 VanDerWaalsContact O-N 3.1Å; H409-Q412 PolarHBondContact O-N 3.49Å
410A59.7Low54.3Low89 Ų89102.9 Ų102.974%0.73661%0.609SS**THydrogen-bonded Turntrans-722.4179.200000115
411Q50.8Low52.4Low167 Ų167102.9 Ų102.978%0.7861%0.614SS**THydrogen-bonded Turntrans-112.26.7178.8-75-80.4-0.600112.8H409H409-Q411 PolarHBondContact O-N 2.92Å; H409-Q411 VanDerWaalsContact O-N 3.1Å
412Q49.8Very low50.5Low175 Ų175102.5 Ų102.582%0.81863%0.629SS**SBendtrans-136.786179.1-65.7-174.9-6.900109.2H409H409-Q412 PolarHBondContact O-N 3.49Å
413G33.3Very low48.4Very low78 Ų78109.9 Ų109.980%0.80466%0.663SS**  trans-167.331.8-166.500000116.9
414D32.8Very low47.6Very low149 Ų149107.9 Ų107.980%0.79766%0.663SS**  trans-135.3136.9164.6-105.8-58.1000106.7
415P41.5Very low45.5Very low123 Ų123112.4 Ų112.480%0.79968%0.68SS**  -132.6162.763.640.2-28.7000116.2
416A34.4Very low43.4Very low82 Ų82114 Ų11468%0.67871%0.707SS**  trans-64.8162.816700000113.6
417P44.2Very low41.4Very low131 Ų131116.8 Ų116.885%0.85173%0.728SS**  -123.1176.212536.8-32.6000113.6
418N29.1Very low39.6Very low141 Ų141121 Ų12175%0.75475%0.747SS**  trans-110.1173-165.5-177.225.3000112
419Q32.5Very low37.7Very low167 Ų167122.1 Ų122.178%0.7876%0.758SS**  trans86.9160.5164-52.9173.5106.400118.2
420T30.3Very low36Very low109 Ų109123.3 Ų123.367%0.66978%0.779SS**  cis-171.9123.2-34.3-81.50000108.5
421S30.6Very low34.5Very low117 Ų117124.9 Ų124.982%0.81878%0.779SS**  trans60.6159.6156.9-60.20000122.7
422A29.1Very low33.3Very low102 Ų102122.8 Ų122.884%0.84378%0.777SS**  trans83.9114.2155.900000121
423E29.7Very low32.3Very low186 Ų186121 Ų12187%0.86978%0.779SS**  trans-89.4-175.9147-62.7-157.2123.300109.4
424P55.2Low32Very low108 Ų108123.5 Ų123.570%0.70178%0.778SS**  cis-140.9-160.86.534.4-8.9000116.4
425V29.8Very low31.8Very low146 Ų146121.2 Ų121.289%0.88578%0.78SS**  trans92.1134.6162.5-169.80000117.3
426G27.9Very low31.5Very low73 Ų73120.3 Ų120.375%0.75378%0.777SS**  trans165.737.3169.700000120.8
427T27.7Very low32.2Very low127 Ų127122.2 Ų122.278%0.77978%0.782SS**  trans-50.6135.9-177.3-53.20000117.7
428T30.7Very low31.8Very low125 Ų125123.1 Ų123.177%0.76778%0.779SS**  trans-178.6119.5132.220.60000110.1
429S28.6Very low32.8Very low108 Ų108121.7 Ų121.776%0.75578%0.777SS**  71.1136.686.5-61.60000114.9
430A28.9Very low32.7Very low87 Ų87120.6 Ų120.672%0.71978%0.782SS**  cis-164.5167.9-12.500000107.4
431T27.7Very low32.7Very low122 Ų122118.7 Ų118.775%0.74878%0.784SS**  173124.880.7-68.70000111.3
432V25.6Very low32.6Very low122 Ų122120.9 Ų120.974%0.73979%0.786SS**  trans39.9128.1137.2-168.90000118.4
433T27.7Very low32.7Very low138 Ų138123.2 Ų123.285%0.84778%0.783SS**  -158.5160.574.3-46.30000114
434V27Very low33Very low131 Ų131120.3 Ų120.379%0.79478%0.777SS**  trans-109.8143.4-166.6171.90000113.2
435A28.7Very low31.9Very low101 Ų101121.8 Ų121.884%0.83579%0.785SS**  trans-152.8137.5147.900000111.1
436S36.3Very low32.1Very low104 Ų104121.3 Ų121.373%0.72778%0.777SS**  trans-154.4161.1177-129.70000107.8
437P49.6Very low32.1Very low122 Ų122123.6 Ų123.679%0.79278%0.781SS**  -145.7165.855.838.8-18.4000119.4
438L34.9Very low32.6Very low150 Ų150122.6 Ų122.679%0.78578%0.779SS**  trans-25.5175.5146.1-65.2165.5000118.3
439P49.5Very low32.8Very low111 Ų111122.1 Ų122.172%0.72178%0.78SS**  cis-120.6-172.5-2.920.16000111.9
440V31.8Very low33.3Very low143 Ų143125.5 Ų125.587%0.86779%0.788SS**  -167.4155.959.4167.20000109.3
441G29.3Very low33.8Very low69 Ų69124.2 Ų124.271%0.71178%0.783SS**  trans118.334.9150.600000119.4
442L27.9Very low34.5Very low164 Ų164124.3 Ų124.386%0.85979%0.786SS**  trans-53.5146.3146.4-83.8167.6000109
443L31.6Very low35.9Very low151 Ų151124.2 Ų124.279%0.79179%0.788SS**  cis-148.7167.132.5-112133.2000113.6
444V37.4Very low36.9Very low124 Ų124123.6 Ų123.675%0.75279%0.786SS**  trans-80.8142.5161.3172.80000109.9
445T32.5Very low37.4Very low140 Ų140126.2 Ų126.286%0.85979%0.789SS**  trans-139.9138.5151.5-25.60000111
446D32Very low38.2Very low136 Ų136130.9 Ų130.973%0.72782%0.816SS**  trans-86.7162.9175.5-151.9-57.8000111
447C29.8Very low38.3Very low121 Ų121132.3 Ų132.382%0.81882%0.821SS**  trans160.4149.4133.6-84.30000113.1
448S36.6Very low37.7Very low106 Ų106132.8 Ų132.874%0.74182%0.822SS**  trans-83.7167.3178.5-64.70000113.9
449S35.2Very low37.8Very low114 Ų114131.8 Ų131.880%0.79782%0.824SS**  trans101.2118.9158.3-42.30000117.5
450I39Very low37.2Very low179 Ų179133.1 Ų133.192%0.91883%0.83SS**  trans-161.6149.7136.7-100151.9000107.9
451G39.3Very low37.5Very low60 Ų60132.4 Ų132.462%0.61983%0.828SS**  trans-84.8-171.8-173.100000115.9
452P43.7Very low38Very low125 Ų125136.7 Ų136.781%0.81284%0.836SS**PPolyproline II helixtrans-82.3154.4-172.733.8-36.3000114
453P54.3Low38.8Very low119 Ų119134.7 Ų134.777%0.77383%0.834SS**PPolyproline II helixtrans-75.3154165.432.9-34.3000111.8
454P48.4Very low39.3Very low126 Ų126133.5 Ų133.582%0.81884%0.838SS**PPolyproline II helixtrans-85.3172.7-172.935.6-37.8000114.5
455H38.1Very low39.5Very low185 Ų185134.3 Ų134.386%0.85685%0.845SS**PPolyproline II helixtrans-76.7143.3171.5-67.4-101.1000112.6
456S44.8Very low40.1Very low200 Ų200133.7 Ų133.7100%1.39984%0.843SS**  trans-156.30148.8-71.60000108.8

Retrieved 456 of 456 residues in 179.4 ms (Link to these results)