A0A5K4FEN3_SCHMA Loading...

ETS domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEN3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 792 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M26.4Very low36.8Very low181 Ų181118.3 Ų118.389%0.89259%0.591SS**  0144.90-64.9176.576.500109.1W8M1-W8 PolarHBondContact N-O 2.91Å; M1-W8 PolarHBondContact O-N 3.45Å
2Y36Very low37.4Very low198 Ų198123.1 Ų123.178%0.77662%0.621SS**EExtended strand (participates in β ladder)trans-99.1137.7168.2-77.2-94000109.6C7Y2-C7 HydrophobicContact CD1-CB 3.78Å; Y2-C7 HydrophobicContact CE1-CB 3.58Å; Y2-C7 VanDerWaalsContact CE1-SG 3.56Å; Y2-C7 HydrophobicContact CG-CB 4.47Å
3T39.9Very low37.4Very low68 Ų68126.1 Ų126.142%0.41763%0.631SS.*EExtended strand (participates in β ladder)trans-124.4171.716169.60000108.8D5 G6T3-D5 PolarHBondContact O-N 3.36Å; T3-D5 VanDerWaalsContact O-N 3.09Å; T3-D5 PolarHBondContact OG1-N 3.16Å; T3-D5 PolarHBondContact OG1-OD2 3.45Å; T3-G6 PolarHBondContact N-O 2.92Å; T3-G6 PolarHBondContact O-N 3.35Å
4N35.9Very low37.7Very low174 Ų174129.4 Ų129.493%0.9365%0.652SS**THydrogen-bonded Turntrans-60.1-19.5176.3-64.9-1.1000112.8
5D37.4Very low37.7Very low139 Ų139124.7 Ų124.774%0.74364%0.641SS**THydrogen-bonded Turntrans-97.2-8.7-175.5-37.9-76.9000113.3T3T3-D5 PolarHBondContact O-N 3.36Å; T3-D5 VanDerWaalsContact O-N 3.09Å; T3-D5 PolarHBondContact OG1-N 3.16Å; T3-D5 PolarHBondContact OG1-OD2 3.45Å
6G36Very low37.4Very low22 Ų22123.5 Ų123.523%0.22765%0.647CS.*EExtended strand (participates in β ladder)trans157.8174.8177.400000115.9T3T3-G6 PolarHBondContact N-O 2.92Å; T3-G6 PolarHBondContact O-N 3.35Å
7C37.7Very low37.4Very low25 Ų25120.4 Ų120.417%0.16963%0.634CS.*EExtended strand (participates in β ladder)trans-99.9131.6171.7-169.50000110.4Y2 L19Y2-C7 HydrophobicContact CD1-CB 3.78Å; Y2-C7 HydrophobicContact CE1-CB 3.58Å; Y2-C7 VanDerWaalsContact CE1-SG 3.56Å; Y2-C7 HydrophobicContact CG-CB 4.47Å; C7-L19 HydrophobicContact CB-CD1 4.21Å
8W36.8Very low37.4Very low119 Ų119121.8 Ų121.845%0.45164%0.637SS.*  trans-116.2124.9178.2-61.385.9000109.9M1 H18M1-W8 PolarHBondContact N-O 2.91Å; M1-W8 PolarHBondContact O-N 3.45Å; W8-H18 AromaticContact CH2-CE1 3.54Å; W8-H18 AromaticContact CH2-ND1 3.96Å
9I38.5Very low37.2Very low126 Ų126118.4 Ų118.465%0.64662%0.619SS**  trans-106.8131.8169.1-62.6176.5000107.2
10Q38.6Very low36.9Very low187 Ų187124 Ų12487%0.87463%0.631SS**  trans-96.8116172.7-176.9173-3.700108.1
11T41.6Very low36.6Very low62 Ų62123.1 Ų123.138%0.3863%0.634SS.*  trans-85.3162.2172.442.60000111E13 A15T11-E13 PolarHBondContact O-N 3.12Å; T11-E13 PolarHBondContact OG1-O 3.49Å; T11-A15 PolarHBondContact OG1-O 3.01Å
12N43.5Very low36.7Very low176 Ų176118 Ų11894%0.94162%0.616SS**SBendtrans-77.64177.3-64.3-11.7000113.5
13E38.1Very low36.5Very low162 Ų162114.3 Ų114.376%0.75762%0.616SS**SBendtrans-135.9154.5-177.9-62.2176.1172.200107.9T11 A15T11-E13 PolarHBondContact O-N 3.12Å; T11-E13 PolarHBondContact OG1-O 3.49Å; E13-A15 PolarHBondContact O-N 3.43Å
14D41.4Very low36.2Very low172 Ų172119.2 Ų119.292%0.9263%0.634SS**SBendtrans-6411-164.6-65.3-58.6000117S16D14-S16 PolarHBondContact O-N 2.82Å; D14-S16 VanDerWaalsContact O-N 3.16Å
15A37.3Very low36Very low60 Ų60117 Ų11750%0.49662%0.618SS.*  trans-73100.4179.300000112.6T11 E13 V17T11-A15 PolarHBondContact OG1-O 3.01Å; E13-A15 PolarHBondContact O-N 3.43Å; A15-V17 PolarHBondContact O-N 3.18Å
16S33Very low35.6Very low105 Ų105118.9 Ų118.973%0.73462%0.622SS**  trans-81.194.4173.122.10000111.4D14 H18D14-S16 PolarHBondContact O-N 2.82Å; D14-S16 VanDerWaalsContact O-N 3.16Å; S16-H18 PolarHBondContact O-N 3.22Å
17V38.3Very low35.2Very low71 Ų71123.3 Ų123.343%0.4364%0.635SS.*  trans-75110.9-178.7-177.40000111.5A15A15-V17 PolarHBondContact O-N 3.18Å
18H36.5Very low34.9Very low146 Ų146128.9 Ų128.968%0.67666%0.658SS**  trans-90.3113.2174-101.5-73.9000112W8 S16W8-H18 AromaticContact CH2-CE1 3.54Å; W8-H18 AromaticContact CH2-ND1 3.96Å; S16-H18 PolarHBondContact O-N 3.22Å
19L34.5Very low34.5Very low56 Ų56128.5 Ų128.529%0.29367%0.665SS.*  trans-88.3130.1163.8-63.4178.4000109.6C7C7-L19 HydrophobicContact CB-CD1 4.21Å
20R31.4Very low34Very low231 Ų231128.2 Ų128.287%0.87266%0.664SS**  trans-117.7126.6-178-153.5179.6-162-170.25.6110.3
21P29Very low33.5Very low105 Ų105129 Ų12968%0.68266%0.659SS**  trans-70.1143.917828.5-34.1000111.3
22S29.8Very low32.8Very low74 Ų74133.5 Ų133.552%0.51768%0.679SS.*  trans-109.5127.8176-1750000110.1H24S22-H24 PolarHBondContact O-N 3.11Å
23P31.1Very low32.1Very low120 Ų120130.8 Ų130.878%0.77967%0.669SS**THydrogen-bonded Turntrans-65.4-8.1-171-2535.1000117.4
24H33.2Very low31.6Very low172 Ų172128.7 Ų128.780%0.79666%0.663SS**THydrogen-bonded Turntrans-130.913.3-170.6-70.3-58.3000115.2S22S22-H24 PolarHBondContact O-N 3.11Å
25H31.9Very low31.1Very low127 Ų127126.3 Ų126.359%0.58866%0.66SS**  trans-143.2131.8176.1-85.1-69.4000112.1F27H25-F27 HydrophobicContact CB-CB 4.27Å; H25-F27 HydrophobicContact CB-CD2 4.02Å; H25-F27 AromaticContact ND1-CD2 3.65Å; H25-F27 PolarHBondContact O-N 3.04Å
26H29.8Very low30.8Very low179 Ų179128.7 Ų128.783%0.82967%0.668SS**SBendtrans-69.821.6165.8-87.3-79.9000113.6
27F27.7Very low30.5Very low114 Ų114129.1 Ų129.150%0.567%0.671SS.*  trans-121.7114.9-168.7-62.2-87.3000111.3H25 N29H25-F27 HydrophobicContact CB-CB 4.27Å; H25-F27 HydrophobicContact CB-CD2 4.02Å; H25-F27 AromaticContact ND1-CD2 3.65Å; H25-F27 PolarHBondContact O-N 3.04Å; F27-N29 PolarHBondContact O-N 3.4Å
28H30.3Very low30Very low143 Ų143134.8 Ų134.866%0.66269%0.69SS**  trans-76.684.4170-82.2-83.6000110.4L30H28-L30 PolarHBondContact O-N 2.85Å
29N28.3Very low29.4Very low111 Ų111137.1 Ų137.159%0.59470%0.702SS**  trans-70.8115.8171.1-70.4-7.8000109.7F27 W31F27-N29 PolarHBondContact O-N 3.4Å; N29-W31 VanDerWaalsContact O-CD1 3.3Å; N29-W31 PolarHBondContact O-N 2.78Å
30L28Very low29.1Very low120 Ų120144.9 Ų144.963%0.62873%0.728SS**  trans-89.7101.5-173.5-157155.9000110H28 I32H28-L30 PolarHBondContact O-N 2.85Å; L30-I32 HydrophobicContact CD2-CD1 4.48Å; L30-I32 HydrophobicContact CD2-CG1 3.89Å
31W28.2Very low28.7Very low204 Ų204138.8 Ų138.877%0.77372%0.721SS**  trans-99.1111178.8-65.388.9000110.5N29 T33N29-W31 VanDerWaalsContact O-CD1 3.3Å; N29-W31 PolarHBondContact O-N 2.78Å; W31-T33 PolarHBondContact O-N 2.89Å
32I27.7Very low28.7Very low155 Ų155140.1 Ų140.180%0.79573%0.73SS**  trans-83.696.1169.4-56.1177.9000107.8L30L30-I32 HydrophobicContact CD2-CD1 4.48Å; L30-I32 HydrophobicContact CD2-CG1 3.89Å
33T28.9Very low28.6Very low120 Ų120143 Ų14374%0.73675%0.745SS**  trans-92.8100.9168.655.50000109.3W31 S35W31-T33 PolarHBondContact O-N 2.89Å; T33-S35 PolarHBondContact O-N 2.88Å
34D28.3Very low28.2Very low118 Ų118142.5 Ų142.563%0.63174%0.744SS**  trans-58.9127.3165.4-171.8-35.3000108.8T36D34-T36 VanDerWaalsContact CG-OG1 3.31Å; D34-T36 PolarHBondContact O-N 3.27Å; D34-T36 WeakPolarHBondContact OD1-CB 3.42Å; D34-T36 WeakPolarHBondContact OD1-CG2 3.5Å; D34-T36 PolarHBondContact OD1-N 3.26Å; D34-T36 PolarHBondContact OD1-OG1 3.21Å
35S29.4Very low28Very low121 Ų121144.2 Ų144.285%0.84675%0.75SS**  trans-87.316-176.653.40000113.4T33T33-S35 PolarHBondContact O-N 2.88Å
36T32.2Very low27.5Very low110 Ų110145.1 Ų145.168%0.67576%0.759SS**  trans-93.4119.3172.361.80000112.3D34D34-T36 VanDerWaalsContact CG-OG1 3.31Å; D34-T36 PolarHBondContact O-N 3.27Å; D34-T36 WeakPolarHBondContact OD1-CB 3.42Å; D34-T36 WeakPolarHBondContact OD1-CG2 3.5Å; D34-T36 PolarHBondContact OD1-N 3.26Å; D34-T36 PolarHBondContact OD1-OG1 3.21Å
37S26.7Very low27.5Very low114 Ų114144.1 Ų144.180%0.79776%0.758SS**  trans-93.1120-166.348.50000114.1
38K27.9Very low27.2Very low191 Ų191143.5 Ų143.583%0.8377%0.767SS**  trans-157.1114159.7-105.6149-170.61720111.6
39Q23.6Very low27Very low195 Ų195141.6 Ų141.691%0.91177%0.77SS**  trans-77.4126.2169.2-67.6175.2-45.100110.1
40Y27Very low26.8Very low218 Ų218141.7 Ų141.786%0.85578%0.775SS**  trans-139.2124.8157.1-87.1-78.6000109.6
41S24.5Very low26.8Very low103 Ų103146.2 Ų146.272%0.7279%0.785SS**  trans-85.8144.5176.844.30000111T43S41-T43 PolarHBondContact O-N 3.46Å
42P27.3Very low26.6Very low134 Ų134141.1 Ų141.187%0.8778%0.78SS**  trans-82.7114.517931.5-32.5000111.3
43T27.8Very low26.6Very low134 Ų134138.8 Ų138.882%0.82278%0.778SS**  trans-105.7134.1161.5200000110.4S41S41-T43 PolarHBondContact O-N 3.46Å
44S24.5Very low26.6Very low109 Ų109138.3 Ų138.376%0.76278%0.78SS**  trans-69.4136.7-176.647.30000112.8
45F27.2Very low26.8Very low209 Ų209138.2 Ų138.292%0.91779%0.788SS**  trans-143144.1148.4-100.2-74.4000111
46N22.8Very low26.7Very low145 Ų145137.9 Ų137.978%0.77579%0.786SS**  trans-133.9130.9-176.6177.110.4000107.2
47I28.4Very low26.8Very low159 Ų159138 Ų13882%0.81579%0.788SS**  trans-163.8143.4165-103.2147.1000108.8
48S21.8Very low27Very low100 Ų100138.9 Ų138.970%0.69979%0.789SS**  trans-106.6154.5177.953.40000111.4
49S25.6Very low27.2Very low103 Ų103134.6 Ų134.672%0.7278%0.781SS**  162.7115.3126.850.50000116
50T24.8Very low27.4Very low113 Ų113132.6 Ų132.669%0.69378%0.776SS**  trans54.5150.1130.562.40000124.7
51Y27.4Very low27.6Very low216 Ų216127.2 Ų127.285%0.84777%0.768SS**  trans74.9150.3165.5-62.6-83.1000118.4
52S25.1Very low27.6Very low96 Ų96126.8 Ų126.867%0.67177%0.765SS**  cis-170.1136.6-38.7-1040000111.6
53S27Very low27.6Very low106 Ų106129 Ų12974%0.74176%0.761SS**  trans20.2126.6153.261.20000122.1
54S29.2Very low27.6Very low110 Ų110129.8 Ų129.877%0.76976%0.76SS**  173.1151.6106.949.40000116.2
55S32.2Very low27.7Very low117 Ų117129.6 Ų129.682%0.81875%0.754SS**  trans66.4134.7159.643.30000122.2
56S28.5Very low27.6Very low113 Ų113125.8 Ų125.879%0.7974%0.743SS**  trans-107.6-168177.1-41.40000110
57P33.7Very low27.7Very low112 Ų112125.7 Ų125.773%0.72774%0.743SS**  cis-142.7155.14.342.6-23.1000119.6
58V29.7Very low27.8Very low133 Ų133126.3 Ų126.381%0.80675%0.746SS**  42.3143.4124.8-175.50000120.8
59P33Very low28Very low102 Ų102126.9 Ų126.966%0.66275%0.745SS**  cis-132.21673.833.5-13.2000118.4
60D27.7Very low27.9Very low153 Ų153129.2 Ų129.282%0.81875%0.749SS**  trans44.1157.1137.2-63.6-23.2000125.4
61P31.8Very low27.9Very low105 Ų105130.4 Ų130.468%0.68276%0.757SS**  cis-136.6175.3-25.935.6-17.6000115.3
62S24.9Very low27.8Very low94 Ų94125.7 Ų125.766%0.65776%0.755SS**  trans64.7124.8154.363.40000120.8
63F26.6Very low27.8Very low181 Ų181126.7 Ų126.779%0.79476%0.757SS**  trans135119.2137.6-86-76.2000114.8
64L27.1Very low27.7Very low150 Ų150129 Ų12979%0.78576%0.76SS**  trans67.7143.3159.9-50.9169.6000116.6
65T26.6Very low27.6Very low105 Ų105129.8 Ų129.864%0.64476%0.755SS**  cis-161.9163.3-14.712.20000110.9
66D25Very low27.2Very low129 Ų129129.6 Ų129.669%0.6974%0.744SS**  trans70.8153.9150.7-53.2-25.6000123.3
67N26.6Very low27.4Very low143 Ų143127.5 Ų127.577%0.76573%0.73SS**  trans81.777.4156.6-56-60.6000120.6
68I29.1Very low27.5Very low172 Ų172127.3 Ų127.388%0.88272%0.719SS**  trans-131.6135.2135.8-60.2-176.5000108.6
69T25.5Very low27.7Very low111 Ų111128.1 Ų128.168%0.68171%0.709SS**  trans-113.1167.5-178.749.50000112.5
70N24.2Very low27.9Very low152 Ų152129.5 Ų129.581%0.81371%0.711SS**  trans70.485.7165.7-57-20.8000118
71T26.1Very low28.2Very low138 Ų138125.7 Ų125.785%0.84769%0.694SS**  trans-123.199.7152.540.30000110.3V73T71-V73 PolarHBondContact O-N 3.24Å
72S24.1Very low28.5Very low117 Ų117127 Ų12782%0.81869%0.686SS**  trans-82.2108.7177.139.10000111.3I74S72-I74 PolarHBondContact O-N 3.5Å
73V25Very low29Very low118 Ų118129.4 Ų129.472%0.71569%0.685SS**  trans-84.3112.1174.6-178.90000109.7T71 L75T71-V73 PolarHBondContact O-N 3.24Å; V73-L75 HydrophobicContact CG1-CD2 4.11Å; V73-L75 HydrophobicContact CG1-CG 4.42Å
74I25.5Very low29.5Very low154 Ų154123.7 Ų123.779%0.7966%0.663SS**  trans-85.6114.9170.2-58.9175.8000107.8S72S72-I74 PolarHBondContact O-N 3.5Å
75L26.1Very low29.6Very low127 Ų127124.9 Ų124.967%0.66567%0.67SS**  trans-88.2124.1174.5-66.4172.2000109.9V73V73-L75 HydrophobicContact CG1-CD2 4.11Å; V73-L75 HydrophobicContact CG1-CG 4.42Å
76D25.5Very low30Very low112 Ų112124.8 Ų124.860%0.59967%0.67SS**  trans-93.7152.5173.3-161.61.9000111.6
77S31.3Very low30.2Very low69 Ų69121.1 Ų121.148%0.48366%0.662SS.*THydrogen-bonded Turntrans-95.6-1.2-138.4530000116.5
78Q36.6Very low30.4Very low108 Ų108119 Ų11951%0.50565%0.651SS.*THydrogen-bonded Turntrans-99.2-7-163.3-64.3-177.1-4.600115.7E407Q78-E407 PolarHBondContact NE2-O 3.07Å
79Y33.7Very low30.7Very low151 Ų151115.5 Ų115.559%0.59263%0.633SS**  trans-141.561-164.4-77.6-70.2000113.8P92Y79-P92 HydrophobicContact CD1-CB 3.95Å; Y79-P92 HydrophobicContact CD1-CG 4.23Å; Y79-P92 HydrophobicContact CG-CB 4.35Å; Y79-P92 HydrophobicContact CG-CG 4.39Å; Y79-P92 WeakPolarHBondContact O-CG 3.43Å
80N37.9Very low31Very low131 Ų131114.5 Ų114.570%0.70162%0.621SS**  trans-70.5144.2169.2-77.1-26.1000111.5
81P33.7Very low31.5Very low73 Ų73111.4 Ų111.447%0.47461%0.608SS.*  trans-69.7143.4170.831.6-35.4000110.7L89 H90 V91P81-L89 HydrophobicContact CB-CD1 4.21Å; P81-H90 VanDerWaalsContact CA-O 3.3Å; P81-H90 WeakPolarHBondContact CA-O 3.09Å; P81-V91 HydrophobicContact CB-CB 4.46Å; P81-V91 HydrophobicContact CB-CG1 4.47Å; P81-V91 HydrophobicContact CB-CG2 4.05Å
82Y38.6Very low31.7Very low132 Ų132106.1 Ų106.152%0.51858%0.575SS.*EExtended strand (participates in β ladder)trans-138.1150.5-17762.8-91.1000112H90Y82-H90 HydrophobicContact CD2-CB 4.33Å; Y82-H90 HydrophobicContact CE1-CB 4.3Å; Y82-H90 AromaticContact CE1-ND1 3.33Å; Y82-H90 VanDerWaalsContact CE1-ND1 3.33Å; Y82-H90 WeakPolarHBondContact CE1-ND1 3.46Å; Y82-H90 HydrophobicContact CE2-CB 4.02Å; Y82-H90 AromaticContact CZ-CG 3.86Å; Y82-H90 AromaticContact CZ-ND1 3.31Å; Y82-H90 VanDerWaalsContact CZ-ND1 3.31Å; Y82-H90 PolarHBondContact N-O 3.31Å; Y82-H90 VanDerWaalsContact N-O 3.1Å; Y82-H90 PolarHBondContact O-N 3.22Å; Y82-H90 PolarHBondContact OH-ND1 3.44Å
83F35.1Very low32Very low144 Ų144110.9 Ų110.963%0.63258%0.577SS**EExtended strand (participates in β ladder)trans-80.4133.7169.9-77.1-83.5000110.2G87 N88 L89F83-G87 WeakPolarHBondContact CD1-O 3.42Å; F83-N88 WeakPolarHBondContact CA-O 3.09Å; F83-L89 HydrophobicContact CD1-CB 4.3Å; F83-L89 HydrophobicContact CD2-CD1 4.1Å; F83-L89 HydrophobicContact CE1-CB 3.93Å; F83-L89 HydrophobicContact CE1-CD1 4.34Å; F83-L89 HydrophobicContact CE2-CD1 3.88Å; F83-L89 HydrophobicContact CG-CD1 4.43Å; F83-L89 HydrophobicContact CZ-CB 4.27Å; F83-L89 HydrophobicContact CZ-CD1 4.01Å
84N35.6Very low32.3Very low61 Ų61113.1 Ų113.133%0.32657%0.573SS.*  trans-85.6173.2172.3773.7000111.6T86 G87 N88N84-T86 PolarHBondContact ND2-OG1 2.81Å; N84-T86 PolarHBondContact O-N 2.96Å; N84-T86 WeakPolarHBondContact OD1-CA 3.4Å; N84-T86 PolarHBondContact OD1-N 3.31Å; N84-T86 PolarHBondContact OD1-OG1 3.05Å; N84-G87 PolarHBondContact O-N 2.05Å; N84-G87 PolarHBondContact OD1-N 3.26Å; N84-N88 PolarHBondContact N-O 3.19Å; N84-N88 PolarHBondContact OD1-N 3.39Å; N84-N88 PolarHBondContact OD1-O 3.2Å
85N29.9Very low32.3Very low176 Ų176112.3 Ų112.394%0.94156%0.561SS**THydrogen-bonded Turntrans-64.3-4-178.9-62.6-1.9000114.7
86T34.2Very low32.4Very low102 Ų102115 Ų11563%0.62657%0.572SS**THydrogen-bonded Turntrans-106.511.3173.869.40000112.7N84 N88N84-T86 PolarHBondContact ND2-OG1 2.81Å; N84-T86 PolarHBondContact O-N 2.96Å; N84-T86 WeakPolarHBondContact OD1-CA 3.4Å; N84-T86 PolarHBondContact OD1-N 3.31Å; N84-T86 PolarHBondContact OD1-OG1 3.05Å; T86-N88 VanDerWaalsContact C-N 3.27Å; T86-N88 PolarHBondContact O-N 3.23Å; T86-N88 PolarHBondContact OG1-ND2 3Å
87G29.1Very low32.6Very low52 Ų52121.2 Ų121.254%0.53659%0.587SS.*SBendtrans75.68.8-179.500000115F83 N84F83-G87 WeakPolarHBondContact CD1-O 3.42Å; N84-G87 PolarHBondContact O-N 2.05Å; N84-G87 PolarHBondContact OD1-N 3.26Å
88N31Very low32.4Very low100 Ų100124.6 Ų124.654%0.53560%0.6SS.*  trans-89.5134.6178.3-69.8-54.1000110.5F83 N84 T86 H90F83-N88 WeakPolarHBondContact CA-O 3.09Å; N84-N88 PolarHBondContact N-O 3.19Å; N84-N88 PolarHBondContact OD1-N 3.39Å; N84-N88 PolarHBondContact OD1-O 3.2Å; T86-N88 VanDerWaalsContact C-N 3.27Å; T86-N88 PolarHBondContact O-N 3.23Å; T86-N88 PolarHBondContact OG1-ND2 3Å; N88-H90 PolarHBondContact O-N 3.14Å
89L35.7Very low32Very low97 Ų97128.5 Ų128.551%0.50862%0.615SS.*EExtended strand (participates in β ladder)trans-77118.9175.8-175.767.8000110P81 F83 V91P81-L89 HydrophobicContact CB-CD1 4.21Å; F83-L89 HydrophobicContact CD1-CB 4.3Å; F83-L89 HydrophobicContact CD2-CD1 4.1Å; F83-L89 HydrophobicContact CE1-CB 3.93Å; F83-L89 HydrophobicContact CE1-CD1 4.34Å; F83-L89 HydrophobicContact CE2-CD1 3.88Å; F83-L89 HydrophobicContact CG-CD1 4.43Å; F83-L89 HydrophobicContact CZ-CB 4.27Å; F83-L89 HydrophobicContact CZ-CD1 4.01Å; L89-V91 HydrophobicContact CD2-CG2 3.95Å; L89-V91 HydrophobicContact CG-CG2 3.93Å
90H32.4Very low31.8Very low90 Ų90129.1 Ų129.142%0.41762%0.623SS.*EExtended strand (participates in β ladder)trans-98.6110.9175.5-174.2-101.8000109.8P81 Y82 N88P81-H90 VanDerWaalsContact CA-O 3.3Å; P81-H90 WeakPolarHBondContact CA-O 3.09Å; Y82-H90 HydrophobicContact CD2-CB 4.33Å; Y82-H90 HydrophobicContact CE1-CB 4.3Å; Y82-H90 AromaticContact CE1-ND1 3.33Å; Y82-H90 VanDerWaalsContact CE1-ND1 3.33Å; Y82-H90 WeakPolarHBondContact CE1-ND1 3.46Å; Y82-H90 HydrophobicContact CE2-CB 4.02Å; Y82-H90 AromaticContact CZ-CG 3.86Å; Y82-H90 AromaticContact CZ-ND1 3.31Å; Y82-H90 VanDerWaalsContact CZ-ND1 3.31Å; Y82-H90 PolarHBondContact N-O 3.31Å; Y82-H90 VanDerWaalsContact N-O 3.1Å; Y82-H90 PolarHBondContact O-N 3.22Å; Y82-H90 PolarHBondContact OH-ND1 3.44Å; N88-H90 PolarHBondContact O-N 3.14Å
91V34Very low31.3Very low88 Ų88130.3 Ų130.353%0.53363%0.63SS.*  trans-106.4122.2179.9-172.70000109.6P81 L89P81-V91 HydrophobicContact CB-CB 4.46Å; P81-V91 HydrophobicContact CB-CG1 4.47Å; P81-V91 HydrophobicContact CB-CG2 4.05Å; L89-V91 HydrophobicContact CD2-CG2 3.95Å; L89-V91 HydrophobicContact CG-CG2 3.93Å
92P30.5Very low31.1Very low26 Ų26132.7 Ų132.717%0.16964%0.638CS.*  trans-71.5137.7178.524.9-29.5000112.6Y79 R94Y79-P92 HydrophobicContact CD1-CB 3.95Å; Y79-P92 HydrophobicContact CD1-CG 4.23Å; Y79-P92 HydrophobicContact CG-CB 4.35Å; Y79-P92 HydrophobicContact CG-CG 4.39Å; Y79-P92 WeakPolarHBondContact O-CG 3.43Å; P92-R94 PolarHBondContact O-N 3.28Å
93Y29.7Very low30.5Very low217 Ų217136.9 Ų136.985%0.85166%0.655SS**THydrogen-bonded Turntrans-58.113.6-162.5-92.9-93.1000119.8
94R32.3Very low30.2Very low166 Ų166138.9 Ų138.963%0.62666%0.66SS**THydrogen-bonded Turntrans-109.3-10.6-164.3-157.2164.8-169150.612.6117.5P92P92-R94 PolarHBondContact O-N 3.28Å
95Y26Very low29.6Very low137 Ų137142.9 Ų142.954%0.53768%0.68SS.*  trans-128.880-170.7-63.6-70.7000114.1
96M26.7Very low29.4Very low182 Ų182141.7 Ų141.790%0.89766%0.664SS**  trans-139.7114.5157.3-70.7-177.367.500108.6
97W29.6Very low29Very low243 Ų243141.5 Ų141.592%0.9266%0.662SS**  trans-140.9135.5167-98.271.1000107.7
98D28Very low28.8Very low141 Ų141144.4 Ų144.475%0.75468%0.675SS**  trans-0.4111-179.2-55.5-31.6000119.3
99K28Very low28.6Very low189 Ų189148.8 Ų148.882%0.82269%0.689SS**  -120.7128.5113.2-80.5-160.4169.7-160.70109.3
100E28.9Very low28.2Very low165 Ų165147.5 Ų147.577%0.77169%0.688SS**SBendtrans27.5112148.3-65158.3155.500117.4
101D27.6Very low27.8Very low156 Ų156147.4 Ų147.483%0.83470%0.696SS**SBendtrans65.672.7157.8-55.5-22.7000119.9
102D30.5Very low27.4Very low122 Ų122152.2 Ų152.265%0.65271%0.706SS**  trans-173.5133.3130.8-105.5-19.1000111.9Y104D102-Y104 HydrophobicContact CB-CE2 4.22Å
103Y25.9Very low27.1Very low220 Ų220155.4 Ų155.486%0.86373%0.728SS**  trans-95.9127.1-178.6-77-96.5000112.8
104Y28.1Very low26.9Very low187 Ų187152.9 Ų152.973%0.73372%0.724SS**  trans-135.1123.2167.3-72.8-85.6000112.7D102D102-Y104 HydrophobicContact CB-CE2 4.22Å
105L24.4Very low26.6Very low144 Ų144152.7 Ų152.775%0.75474%0.735SS**  trans-87.4124.5172.8-89.6156.4000110.3
106Y25.2Very low26.8Very low152 Ų152154.4 Ų154.460%0.59675%0.747SS**  trans-111104.8171.3-90.8-86.6000111.6Y112Y106-Y112 WeakPolarHBondContact OH-CE2 3.06Å
107T25.9Very low26.8Very low97 Ų97153.9 Ų153.960%0.59574%0.74SS**  trans-85162.2163.752.50000110.5K109T107-K109 PolarHBondContact O-N 3.4Å
108S25.1Very low26.8Very low114 Ų114149.8 Ų149.880%0.79774%0.736SS**SBendtrans-78.9118.3-169.456.80000113.7
109K25.7Very low26.8Very low191 Ų191151.6 Ų151.683%0.8374%0.74SS**SBendtrans57.162.4168.1-60.8179.2-178.5170.10114.7T107T107-K109 PolarHBondContact O-N 3.4Å
110S27.1Very low26.9Very low70 Ų70152.1 Ų152.149%0.4975%0.746SS.*  trans-134.3164.1170.346.40000112.1
111C24.1Very low26.9Very low88 Ų88150.4 Ų150.460%0.59574%0.741SS**  trans-56144.8-169.6-68.60000114.8C113C111-C113 PolarHBondContact O-N 3.19Å
112Y25.1Very low26.8Very low189 Ų189145.2 Ų145.274%0.74172%0.716SS**  trans-73.4103168.1-145-90.1000108.9Y106Y106-Y112 WeakPolarHBondContact OH-CE2 3.06Å
113C25.5Very low26.7Very low93 Ų93147 Ų14763%0.62872%0.715SS**  trans-108.793.2173.8-72.80000109C111 L115C111-C113 PolarHBondContact O-N 3.19Å; C113-L115 PolarHBondContact O-N 3.23Å
114E24.8Very low26.9Very low164 Ų164140.8 Ų140.877%0.76670%0.704SS**  trans-72.494.9173.9-174172-148.500109.3Q116E114-Q116 PolarHBondContact O-N 3.32Å
115L27.4Very low27Very low163 Ų163137.5 Ų137.585%0.85370%0.695SS**  trans-67.7113172.1-78.8166.9000108.9C113 K117C113-L115 PolarHBondContact O-N 3.23Å; L115-K117 PolarHBondContact O-N 3.33Å
116Q28.3Very low27.4Very low172 Ų172134.6 Ų134.680%0.80468%0.68SS**  trans-64.8126.9179.7-70.1-168.2-21.300110.6E114 N118E114-Q116 PolarHBondContact O-N 3.32Å; Q116-N118 PolarHBondContact O-N 2.73Å
117K27.6Very low27.6Very low171 Ų171133.5 Ų133.574%0.74368%0.684SS**THydrogen-bonded Turntrans-58.4122.1174.9-147159.8-172.6160.10108.1L115L115-K117 PolarHBondContact O-N 3.33Å
118N29.3Very low27.9Very low157 Ų157132.9 Ų132.984%0.8468%0.683SS**THydrogen-bonded Turntrans113.121.7169.6-50.2-28.6000119.9Q116Q116-N118 PolarHBondContact O-N 2.73Å
119E28.7Very low28.1Very low179 Ų179133.8 Ų133.884%0.83668%0.679SS**  trans-104.1127.8163.7-67.6-161.2141.900112.8I121E119-I121 PolarHBondContact O-N 3.25Å
120Q29.3Very low28.4Very low201 Ų201131.1 Ų131.194%0.93967%0.674SS**  trans-88.5101.1176.5-73.3-174-37.500110.7
121I28.8Very low28.4Very low129 Ų129137.7 Ų137.766%0.66269%0.689SS**  trans-74.9137.2169.2-60.4175.9000109.2E119E119-I121 PolarHBondContact O-N 3.25Å
122S26.4Very low28.4Very low46 Ų46142.5 Ų142.532%0.32270%0.696SS.*  trans-84.5138.8-176.876.80000112.1S124 E125S122-S124 WeakPolarHBondContact CB-OG 3.28Å; S122-S124 PolarHBondContact O-N 2.94Å; S122-S124 PolarHBondContact OG-OG 3.06Å; S122-E125 PolarHBondContact O-N 3.21Å; S122-E125 VanDerWaalsContact O-N 3.11Å; S122-E125 PolarHBondContact OG-OE2 3.25Å
123Y27.3Very low28.5Very low160 Ų160142.1 Ų142.163%0.62770%0.701SS**Hα-helixtrans-55.3-26.5176-90.5-84.2000113E125 I126 D162Y123-E125 PolarHBondContact O-N 3.15Å; Y123-I126 PolarHBondContact O-N 3.08Å; Y123-D162 VanDerWaalsContact OH-CG 3.23Å; Y123-D162 PolarHBondContact OH-OD1 3.34Å; Y123-D162 PolarHBondContact OH-OD2 3.27Å
124S30Very low28.4Very low90 Ų90144.7 Ų144.763%0.62971%0.714SS**Hα-helixtrans-62-19.2177.524.10000115.6S122S122-S124 WeakPolarHBondContact CB-OG 3.28Å; S122-S124 PolarHBondContact O-N 2.94Å; S122-S124 PolarHBondContact OG-OG 3.06Å
125E31.6Very low28.3Very low118 Ų118147.4 Ų147.455%0.55172%0.717SS**Hα-helixtrans-93.6-20.5-177.1-69.9166.2118.700112.9S122 Y123S122-E125 PolarHBondContact O-N 3.21Å; S122-E125 VanDerWaalsContact O-N 3.11Å; S122-E125 PolarHBondContact OG-OE2 3.25Å; Y123-E125 PolarHBondContact O-N 3.15Å
126I31.9Very low28.2Very low83 Ų83149.2 Ų149.243%0.42672%0.721SS.*Hα-helixtrans-77.3-41.5-175.1-59.6175.9000111.4Y123 S128 L129Y123-I126 PolarHBondContact O-N 3.08Å; I126-S128 PolarHBondContact O-N 2.72Å; I126-S128 VanDerWaalsContact O-N 3.12Å; I126-L129 PolarHBondContact O-N 2.87Å
127D29.4Very low28.1Very low128 Ų128146.5 Ų146.568%0.68472%0.716SS**THydrogen-bonded Turntrans-63.2-19.7-179.9-80-27.8000113.7L129D127-L129 VanDerWaalsContact C-N 3.33Å; D127-L129 PolarHBondContact O-N 3.19Å
128S32Very low27.9Very low84 Ų84146.8 Ų146.859%0.58773%0.726SS**THydrogen-bonded Turntrans-76.3-17.1179.2-650000114I126I126-S128 PolarHBondContact O-N 2.72Å; I126-S128 VanDerWaalsContact O-N 3.12Å
129L30.5Very low27.8Very low134 Ų134141.7 Ų141.770%0.70271%0.71SS**THydrogen-bonded Turntrans-89-30.3-178-81.8155.6000113.2I126 D127 Y131 Y132I126-L129 PolarHBondContact O-N 2.87Å; D127-L129 VanDerWaalsContact C-N 3.33Å; D127-L129 PolarHBondContact O-N 3.19Å; L129-Y131 PolarHBondContact O-N 3.49Å; L129-Y132 PolarHBondContact O-N 3.43Å
130N31.2Very low27.7Very low135 Ų135143.5 Ų143.572%0.72272%0.716SS**THydrogen-bonded Turntrans-69.2-0.7-176.3-72.7-38.8000114.8
131Y27.4Very low27.7Very low208 Ų208141.3 Ų141.382%0.81671%0.71SS**THydrogen-bonded Turntrans-102.42-178.1-145.6-99.4000114.5L129L129-Y131 PolarHBondContact O-N 3.49Å
132Y23.8Very low27.9Very low188 Ų188140 Ų14074%0.73771%0.709SS**SBendtrans-133.359.5-170.2-76.1-82000115.3L129L129-Y132 PolarHBondContact O-N 3.43Å
133Q26.8Very low28.2Very low181 Ų181143.1 Ų143.185%0.84672%0.719SS**  trans-162.551.2157.4-114.415452.300116.9
134T24.3Very low28.6Very low147 Ų147144.5 Ų144.590%0.90273%0.728SS**SBendtrans-121.629163.948.80000113
135R23.4Very low29Very low221 Ų221148.6 Ų148.683%0.83474%0.741SS**SBendtrans-136.1130.8167.3-86.3-174.1166.3-176-5.2110.5V137R135-V137 HydrophobicContact CB-CG2 4.2Å; R135-V137 PolarHBondContact O-N 2.81Å
136E23.8Very low28.9Very low201 Ų201145.3 Ų145.394%0.93973%0.731SS**  trans-65.8118.3163.2-61.1174.6132.500108.5
137V26.1Very low28.9Very low115 Ų115145.9 Ų145.970%0.69776%0.757SS**  trans-135.6111.9172.3-175.40000108.4R135 G139R135-V137 HydrophobicContact CB-CG2 4.2Å; R135-V137 PolarHBondContact O-N 2.81Å; V137-G139 VanDerWaalsContact C-N 3.32Å; V137-G139 PolarHBondContact O-N 3.41Å
138N24.9Very low29Very low178 Ų178141.7 Ų141.795%0.95274%0.737SS**  trans-70.386.7172.4-66.4-51.8000109.3
139G26.3Very low29Very low49 Ų49141.5 Ų141.551%0.50574%0.741SS.*  trans-167.1120.5-174.400000115.3V137 L141V137-G139 VanDerWaalsContact C-N 3.32Å; V137-G139 PolarHBondContact O-N 3.41Å; G139-L141 PolarHBondContact O-N 2.87Å
140F26.6Very low29.2Very low218 Ų218140.2 Ų140.296%0.95674%0.741SS**  trans-29.7121.4167.2-65.2-100.7000115.9
141L30.2Very low29.2Very low155 Ų155140.1 Ų140.181%0.81274%0.74SS**  trans-114.7136.8154.1-86.9161.3000108.6G139G139-L141 PolarHBondContact O-N 2.87Å
142P32.8Very low29.3Very low100 Ų100138.7 Ų138.765%0.64973%0.734SS**  trans-84.2137-161.431-35.4000114.2K144P142-K144 VanDerWaalsContact C-N 3.27Å; P142-K144 PolarHBondContact O-N 3.42Å
143H32.4Very low29.6Very low113 Ų113135.5 Ų135.552%0.52374%0.737SS.*  trans-64.583.1165.1-74.4-89.5000111
144K34.8Very low29.7Very low188 Ų188130.4 Ų130.482%0.81772%0.721SS**  trans-114.4-1.9178.9-117.8-176173.5-175.50114.6P142P142-K144 VanDerWaalsContact C-N 3.27Å; P142-K144 PolarHBondContact O-N 3.42Å
145I39.7Very low29.9Very low177 Ų177129.9 Ų129.991%0.90871%0.712SS**SBendtrans-125.7-32.8-175.6-57.6179.5000112
146C29.5Very low30.1Very low49 Ų49124.3 Ų124.333%0.33171%0.705SS.*SBendtrans-113.6133.6160.991.50000110C148C146-C148 HydrophobicContact CB-CB 4.47Å; C146-C148 WeakPolarHBondContact CB-SG 3.38Å; C146-C148 PolarHBondContact O-N 2.89Å; C146-C148 WeakPolarHBondContact SG-CB 3.2Å; C146-C148 CovalentContact SG-SG 2.05Å; C146-C148 PolarHBondContact SG-SG 3.17Å
147G30.8Very low30.3Very low95 Ų95122.2 Ų122.298%0.97970%0.695SS**  trans-74.536.3178.100000113.9
148C31.5Very low30.3Very low39 Ų39124.2 Ų124.226%0.26470%0.701SS.*  trans-83.5138.4-171.7-47.40000111C146C146-C148 HydrophobicContact CB-CB 4.47Å; C146-C148 WeakPolarHBondContact CB-SG 3.38Å; C146-C148 PolarHBondContact O-N 2.89Å; C146-C148 WeakPolarHBondContact SG-CB 3.2Å; C146-C148 CovalentContact SG-SG 2.05Å; C146-C148 PolarHBondContact SG-SG 3.17Å
149A33.5Very low30.5Very low80 Ų80122.5 Ų122.566%0.66169%0.686SS**  trans-74.9149.9-178.600000112.5N151A149-N151 PolarHBondContact O-N 3.13Å
150P32.8Very low30.6Very low108 Ų108124.6 Ų124.670%0.70169%0.694SS**THydrogen-bonded Turntrans-74.914.7-159.2-19.334.8000117.8
151N32.8Very low30.8Very low133 Ų133121.4 Ų121.471%0.71169%0.686SS**THydrogen-bonded Turntrans-104.56.1-161.2-74.912.1000115.9A149A149-N151 PolarHBondContact O-N 3.13Å
152Y29Very low30.9Very low177 Ų177119.3 Ų119.369%0.69468%0.675SS**  trans-133.2115.4-179.1-75-84.4000112.9S154Y152-S154 VanDerWaalsContact C-N 3.34Å; Y152-S154 PolarHBondContact O-N 2.79Å
153P28.6Very low30.6Very low121 Ų121121.7 Ų121.779%0.78668%0.681SS**  trans-83.374.217834-34.5000111.5
154S30.2Very low30.6Very low75 Ų75124.1 Ų124.152%0.52470%0.698SS.*  trans-78.4126.7174.1-60.50000111.2Y152Y152-S154 VanDerWaalsContact C-N 3.34Å; Y152-S154 PolarHBondContact O-N 2.79Å
155I29.2Very low30.3Very low136 Ų136118.5 Ų118.570%0.69769%0.693SS**  trans-81.2120.4171.5-60.9174.1000108E157I155-E157 HydrophobicContact CG2-CG 4.34Å
156C26Very low29.6Very low104 Ų104116.4 Ų116.470%0.70368%0.684SS**  trans-101.998.1176.7-63.90000110.2
157E27.6Very low29.4Very low156 Ų156122.9 Ų122.973%0.72971%0.706SS**  trans-83.5117.8166.9-69.8179.714300109.3I155I155-E157 HydrophobicContact CG2-CG 4.34Å
158I27.7Very low29.1Very low158 Ų158124 Ų12481%0.8170%0.7SS**  trans-97.9109.2178.1-58.6176.3000108.6
159H27.9Very low28.7Very low141 Ų141132.4 Ų132.465%0.65373%0.726SS**  trans-92.4110.3169.7-82.9-110.4000109.9
160S29.6Very low28.3Very low94 Ų94137.8 Ų137.866%0.65773%0.734SS**  trans-88137.6165.5-168.50000110.4
161L30.8Very low27.8Very low150 Ų150138.4 Ų138.479%0.78573%0.73SS**  trans-141.999.5174-98.5163.3000108I163L161-I163 PolarHBondContact O-N 3.28Å
162D31.3Very low27.3Very low111 Ų111137.2 Ų137.259%0.59473%0.728SS**  trans-65.3123-175.9-82.6-31.4000111.8Y123 N164Y123-D162 VanDerWaalsContact OH-CG 3.23Å; Y123-D162 PolarHBondContact OH-OD1 3.34Å; Y123-D162 PolarHBondContact OH-OD2 3.27Å; D162-N164 PolarHBondContact O-N 2.74Å
163I28Very low27.1Very low151 Ų151132.1 Ų132.177%0.77472%0.715SS**  trans-83.598.6175.8-57.4172.3000108.8L161L161-I163 PolarHBondContact O-N 3.28Å
164N31.8Very low26.8Very low163 Ų163133.9 Ų133.987%0.87272%0.718SS**  trans-150.6139.7156.4-96.6-62.4000110.5D162D162-N164 PolarHBondContact O-N 2.74Å
165G27.6Very low26.5Very low70 Ų70140 Ų14072%0.72273%0.731SS**  trans-78.1173.8-171.200000115.3
166D25.3Very low26.1Very low133 Ų133137.6 Ų137.671%0.71173%0.727SS**SBendtrans63.7120.4169.5-82.95.7000119.5
167K25.2Very low25.9Very low185 Ų185139.3 Ų139.380%0.80473%0.727SS**  trans7233.5153.1-55.6155.1-172.9135.70117.2
168S24.7Very low25.6Very low120 Ų120139.8 Ų139.884%0.83973%0.73SS**  trans-76.9140.2157.357.60000110.8
169R24.1Very low25.4Very low215 Ų215137.9 Ų137.981%0.81173%0.73SS**  trans-90164.7-169.7-61.3168.1-162.8155.78.2110.9I171R169-I171 HydrophobicContact CB-CG1 4.09Å; R169-I171 PolarHBondContact O-N 3.32Å
170K23.7Very low25.1Very low193 Ų193136.3 Ų136.384%0.83973%0.731SS**  trans-64.978.9160-173.3-178.9-177.8179.20109.6T172K170-T172 PolarHBondContact O-N 3.2Å; K170-T172 VanDerWaalsContact O-N 3.13Å
171I23.4Very low24.8Very low121 Ų121140.9 Ų140.962%0.62174%0.739SS**  trans-81.688.6177.4-61-179.9000108R169 T173R169-I171 HydrophobicContact CB-CG1 4.09Å; R169-I171 PolarHBondContact O-N 3.32Å; I171-T173 HydrophobicContact CG2-CG2 3.59Å; I171-T173 PolarHBondContact O-N 3.37Å
172T22.7Very low24.4Very low107 Ų107139.3 Ų139.366%0.65673%0.73SS**  trans-76101158460000108.2K170K170-T172 PolarHBondContact O-N 3.2Å; K170-T172 VanDerWaalsContact O-N 3.13Å
173T24.2Very low24Very low71 Ų71143.3 Ų143.344%0.43674%0.738SS.*  trans-129120.6165.948.20000106.3I171 Y175I171-T173 HydrophobicContact CG2-CG2 3.59Å; I171-T173 PolarHBondContact O-N 3.37Å; T173-Y175 VanDerWaalsContact C-N 3.28Å; T173-Y175 VanDerWaalsContact CB-CD2 3.46Å; T173-Y175 HydrophobicContact CG2-CD2 3.73Å; T173-Y175 HydrophobicContact CG2-CE2 3.56Å; T173-Y175 HydrophobicContact CG2-CG 4.38Å
174D21.8Very low23.8Very low157 Ų157141.9 Ų141.984%0.8473%0.732SS**  cis57.133.316.1-68.5-0.7000113.8S176D174-S176 PolarHBondContact O-N 3.46Å
175Y23.2Very low23.4Very low203 Ų203144.1 Ų144.180%0.79673%0.73SS**  trans-85.896.5157-86.4-62.2000110.2T173T173-Y175 VanDerWaalsContact C-N 3.28Å; T173-Y175 VanDerWaalsContact CB-CD2 3.46Å; T173-Y175 HydrophobicContact CG2-CD2 3.73Å; T173-Y175 HydrophobicContact CG2-CE2 3.56Å; T173-Y175 HydrophobicContact CG2-CG 4.38Å
176S22.4Very low23.4Very low87 Ų87145.1 Ų145.161%0.60872%0.724SS**  trans-83.1-179.3147.361.30000109.3D174D174-S176 PolarHBondContact O-N 3.46Å
177I21.7Very low23.3Very low139 Ų139147.3 Ų147.371%0.71373%0.73SS**  trans72.3137163-67.9164.3000114.4
178Q21.6Very low23.1Very low167 Ų167143.8 Ų143.878%0.7873%0.727SS**  cis-163147.3-10.4-113173.611.100109.9
179S21.7Very low23Very low118 Ų118146.8 Ų146.883%0.82573%0.73SS**  trans-178.3126.8150.8-91.50000110.6
180T22.6Very low23Very low108 Ų108142.9 Ų142.966%0.66373%0.729SS**  cis-146.3158.2-4.163.60000110.8
181K23.3Very low23Very low189 Ų189139.4 Ų139.482%0.82273%0.727SS**  trans68.4147.3159.9-67.5177.8-177.3174.90118.2
182I22.3Very low23Very low117 Ų117140.5 Ų140.560%0.673%0.729SS**  cis-168149.6-26.7-125.9174.4000107.7
183Y23.8Very low23Very low195 Ų195143.7 Ų143.777%0.76573%0.734SS**  trans61.9156.2173.6-56.6-36.1000118.3
184D23.7Very low23.1Very low122 Ų122145.9 Ų145.965%0.65275%0.752SS**  cis-164.9142.9-38.8-108.9-9.4000111.1
185Y22.1Very low23.2Very low210 Ų210145 Ų14582%0.82475%0.748SS**  trans66.2162.7150.8-87.3-96.2000118.7
186P27Very low23.6Very low91 Ų91144.2 Ų144.259%0.59175%0.751SS**  -136.3-152-113.645.3-24.7000114.1
187E23.2Very low23.7Very low179 Ų179146.8 Ų146.884%0.83676%0.758SS**  trans29130.9152.4-6317613600119.1
188C22.1Very low24Very low111 Ų111145.4 Ų145.475%0.7576%0.761SS**  -176160.757.349.80000114.1
189M23Very low24.2Very low182 Ų182144.3 Ų144.390%0.89776%0.76SS**  trans59.2138.8143-72.9179.8170.300123.3
190V22.6Very low24.6Very low133 Ų133145.2 Ų145.281%0.80676%0.761SS**  trans-81.8144.8168.5174.50000111
191P25.7Very low24.7Very low120 Ų120148.4 Ų148.478%0.77977%0.766SS**  trans-107.1142.4153.83.717.3000112.2
192E22.9Very low25Very low144 Ų144145.9 Ų145.967%0.67376%0.76SS**  trans-87.3159.3175.1-66-161.4102.200113.8
193K23Very low25.2Very low174 Ų174148 Ų14876%0.75777%0.767SS**  trans31.7119.6140.2-59.8160-175.8152.30118.8
194S26.1Very low25.5Very low118 Ų118145.7 Ų145.783%0.82577%0.768SS**  trans-152.8149.7130.349.90000111.9
195N24.1Very low25.7Very low139 Ų139144.2 Ų144.274%0.74376%0.763SS**  trans-75.2163.5178.7-50.5-58.2000111.1
196H30.2Very low26.1Very low185 Ų185142.3 Ų142.386%0.85676%0.759SS**  -171.4148106.9-101.9-73.5000112.9
197N25.2Very low26.2Very low141 Ų141145 Ų14575%0.75477%0.769SS**  trans-82.4153.4-179.5-51.6-34.6000111.9
198S28.9Very low26.4Very low111 Ų111140.5 Ų140.578%0.77676%0.757SS**  175114.2112.340.50000115.5
199N24.9Very low26.6Very low144 Ų144140 Ų14077%0.7776%0.755SS**  33.6158129.4-55.8-2.8000124
200T30.1Very low26.8Very low136 Ų136143.3 Ų143.383%0.83476%0.758SS**  trans90.4148.6156.671.50000118.8
201F24.8Very low27Very low175 Ų175145.8 Ų145.877%0.76876%0.758SS**  cis-168.7-179.2-39.9-146.1-98.7000108.2
202I28.5Very low27Very low137 Ų137145.6 Ų145.670%0.70376%0.755SS**  trans73.4108.9168.8-57.6166.5000112.8
203E27Very low27.2Very low162 Ų162148.8 Ų148.876%0.75777%0.767SS**  67.2124.267.6-60.4178.1126.400112.3
204D30.3Very low27.4Very low145 Ų145145.3 Ų145.378%0.77577%0.765SS**  -169.216277.5-145.2-26.6000114.7
205T28.9Very low27.7Very low91 Ų91146 Ų14656%0.55877%0.766SS**  trans-41163.1-174.849.90000125.8
206K29.5Very low27.9Very low170 Ų170146.8 Ų146.874%0.73977%0.77SS**  trans107.2143.8137.8-81.2138.5-162.9146.30121.7
207N29.6Very low27.8Very low148 Ų148144.9 Ų144.979%0.79177%0.765SS**  trans67.6146.6161.3-58.6-6.4000118.2
208S27.6Very low27.9Very low85 Ų85144 Ų14459%0.59477%0.77SS**  cis174.6126.2-42.145.10000107.8
209S25.5Very low27.9Very low100 Ų100146.2 Ų146.270%0.69977%0.77SS**  trans30.4117.215860.10000120.3
210W27.9Very low28.1Very low251 Ų251147.3 Ų147.395%0.95178%0.776SS**  trans-129.9156.1151-8886.3000111
211F27.5Very low28Very low186 Ų186145.7 Ų145.782%0.81677%0.77SS**  trans-96167-165.1-91.4-101.1000114.8
212T25.1Very low28.3Very low115 Ų115146.4 Ų146.471%0.70677%0.773SS**  trans-54.1150.5167.950.50000114.7
213F27.8Very low28.2Very low211 Ų211146.8 Ų146.893%0.92578%0.775SS**  trans-152.2146.2144.9-104.9-72.6000112.1
214S25.6Very low28.3Very low102 Ų102146 Ų14671%0.71378%0.776SS**  trans-98.5154.8175.9-47.70000111.6
215P32.6Very low28.1Very low132 Ų132145.8 Ų145.886%0.85778%0.775SS**  trans-79144.5161.533.3-32000111
216L28.1Very low28.2Very low156 Ų156147.9 Ų147.982%0.81779%0.788SS**  trans-148.5173.6-179-138.2168.5000108.5
217L27.8Very low28.1Very low144 Ų144143.9 Ų143.975%0.75478%0.781SS**  trans84.6108.4168.8-58.6143.9000117.4
218S28Very low28.1Very low124 Ų124143.5 Ų143.587%0.86778%0.78SS**  -110.1161.6121.5-171.10000108.2
219M28.2Very low28.1Very low156 Ų156147.6 Ų147.677%0.76879%0.789SS**  trans-99.8152-160.6-64.9179.7156.100114.6
220N30.2Very low28.3Very low167 Ų167148.1 Ų148.189%0.89379%0.793SS**  -171.5173.1116.3-96.8-48.8000112.4
221S27.7Very low28.3Very low102 Ų102141.1 Ų141.171%0.71378%0.782SS**  trans-132.5144.1-152.856.70000117.3
222K31.1Very low28.5Very low190 Ų190138.8 Ų138.883%0.82678%0.784SS**  trans170.7130.8144.1-92.5157.7-176179.70107.7
223L26.1Very low28.8Very low145 Ų145140.7 Ų140.776%0.75978%0.782SS**  47.2125.785.2-72.794.4000112.3
224D30.4Very low28.9Very low145 Ų145140.5 Ų140.578%0.77578%0.775SS**  cis-144.6-175.438.5-104.5-53.2000116.2
225N25Very low29.3Very low142 Ų142141 Ų14176%0.75978%0.776SS**  trans-88.2-179.3-173.4-81-66.8000115.8
226T31.4Very low28.9Very low134 Ų134143.7 Ų143.782%0.82277%0.774SS**  trans92.7145.6167.171.40000117
227S26.4Very low29.1Very low86 Ų86142.5 Ų142.560%0.60177%0.769SS**  cis179.2159-36.549.10000107.7
228N29.5Very low29.2Very low141 Ų141142.1 Ų142.175%0.75477%0.767SS**  trans72.5150.4167.6-54.7-4.3000116.1
229E28.5Very low29Very low171 Ų171144.9 Ų144.980%0.79976%0.764SS**  cis-166.3174.4-34.3-138.8177.1-17500109.8
230S30.5Very low29.1Very low111 Ų111143.3 Ų143.378%0.77676%0.764SS**  trans72.3165.3164.781.70000119.6
231S27.5Very low28.9Very low104 Ų104140.5 Ų140.573%0.72775%0.753SS**  -178.8118.6-87.754.70000114.3
232T32.1Very low29Very low137 Ų137143.4 Ų143.484%0.8476%0.759SS**  trans-171.6124.6153.523.60000107.2
233K30Very low28.8Very low154 Ų154138.8 Ų138.867%0.6775%0.75SS**  cis94.7115.126.4-173.5-174.8178.4-178.40113.7
234W31.2Very low29.1Very low208 Ų208138.5 Ų138.579%0.78875%0.749SS**  trans179.6164.5134.2-87.5129.7000110.4
235P32.8Very low29.2Very low111 Ų111138 Ų13872%0.72175%0.747SS**  -128.1-175.3-123.747-36.5000119.4
236F24.7Very low29.7Very low189 Ų189139.7 Ų139.783%0.82975%0.75SS**  trans-72.2179175-94.5-107.7000116.9
237N31.7Very low29.6Very low132 Ų132140.8 Ų140.871%0.70675%0.75SS**  trans100.3145.3157.1-58-34.1000116.9
238N30.1Very low30Very low135 Ų135145 Ų14572%0.72277%0.765SS**  cis-159.2179.3-8.1-117.6-21.8000114.8
239F24.9Very low29.9Very low182 Ų182145.9 Ų145.980%0.79877%0.769SS**  trans-67.6156.7-178.9-80.6-108.6000118
240T29.9Very low30.3Very low124 Ų124142.8 Ų142.876%0.76176%0.763SS**  161.3119.1124.442.20000109.9
241T24.7Very low30.2Very low108 Ų108142.1 Ų142.166%0.66376%0.759SS**  74.6149.268.3610000116.7
242I30.1Very low30.4Very low163 Ų163142.8 Ų142.884%0.83676%0.763SS**  trans87.6142178.7-53.3166.5000114
243S27.1Very low30.4Very low93 Ų93140.7 Ų140.765%0.6576%0.755SS**  cis175.7152.5-38.5-103.40000110.7
244N32.5Very low30.3Very low138 Ų138141.3 Ų141.374%0.73876%0.764SS**  trans67.2164.8161.8-56.813.3000116.6
245D31.7Very low30.3Very low136 Ų136136.7 Ų136.773%0.72776%0.764SS**  cis-161.5-172.4-30.7-100.7-44.3000108.8
246E35.6Very low30.3Very low177 Ų177136 Ų13683%0.82776%0.762SS**  trans84109.6-176.3-56.5-168.694.200114.7
247L30.1Very low30.7Very low157 Ų157132.2 Ų132.282%0.82276%0.758SS**  cis70.610947.9-58.6174000115
248L34.4Very low30.7Very low173 Ų173130.6 Ų130.691%0.90676%0.758SS**  -175.4150.9120.2-96.6165.5000112.2
249L27.9Very low30.9Very low160 Ų160129.3 Ų129.384%0.83876%0.759SS**  trans-124.2-166.3175.6-62.5161.7000107.2
250P36.1Very low31.3Very low106 Ų106125.5 Ų125.569%0.68876%0.755SS**  cis-138.4176.1-1135.4-13.9000116.7
251S29.7Very low31.5Very low98 Ų98124.7 Ų124.769%0.68575%0.754SS**  trans63.4134.9136.764.20000125.7
252S30.7Very low31.9Very low117 Ų117124.4 Ų124.482%0.81876%0.757SS**  trans76.5158.4144.184.40000118.3
253S32.6Very low32.1Very low94 Ų94121.7 Ų121.766%0.65775%0.753SS**  cis-158.2140.35.560.20000114.7
254L27.8Very low32.6Very low166 Ų166126.2 Ų126.287%0.86976%0.761SS**  trans50.3158.6137.1-75.3148.2000124.6
255S31.5Very low32.5Very low112 Ų112125.3 Ų125.378%0.78376%0.76SS**  trans79.7147.2161.976.70000119.2
256S32.8Very low32.3Very low97 Ų97124 Ų12468%0.67876%0.76SS**  cis-172.4159.6-1948.50000113.1
257S32.7Very low32.1Very low108 Ų108121.1 Ų121.176%0.75576%0.755SS**  trans64151.7154.143.90000120
258S32.7Very low32.1Very low99 Ų99122 Ų12269%0.69276%0.755SS**  cis-170.8166.7-10.947.90000112.2
259S33.6Very low31.7Very low108 Ų108120 Ų12076%0.75575%0.745SS**  trans64.8145.7158.843.70000119.6
260S33.6Very low31.7Very low101 Ų101123.3 Ų123.371%0.70675%0.748SS**  cis-170.1159-9.846.30000112.4
261S33.8Very low31.2Very low107 Ų107124.7 Ų124.775%0.74875%0.749SS**  trans63.1142.116352.30000119.4
262S33.4Very low31.2Very low102 Ų102126.5 Ų126.571%0.71376%0.756SS**  cis-165.5135.7-8.6-97.10000112.2
263S33.8Very low31Very low107 Ų107126.9 Ų126.975%0.74875%0.749SS**  trans50.9129.5130.7-55.70000120.8
264K37.3Very low30.9Very low188 Ų188129 Ų12982%0.81775%0.748SS**  cis-153.3144.517.6-58.8-178.2178.2176.40113.7
265T30.9Very low31.1Very low118 Ų118128 Ų12872%0.72474%0.744SS**  trans30.7137.6138.664.60000121
266C27.9Very low30.8Very low109 Ų109130.9 Ų130.974%0.73675%0.745SS**  cis-123.6173.917.5-53.40000111.1
267T30.2Very low30.6Very low116 Ų116135.2 Ų135.271%0.71276%0.757SS**  cis74.4150.614.574.60000115.6
268E30.5Very low30.4Very low175 Ų175139 Ų13982%0.81876%0.76SS**  cis-113.9147.64.1-67-176.4131.400113.8
269N27.2Very low30.2Very low132 Ų132140.9 Ų140.971%0.70676%0.761SS**  trans-103.6162.3164.8-57.3-56000108.5L271N269-L271 HydrophobicContact CB-CD1 4.33Å
270Y27.9Very low30Very low229 Ų229141.5 Ų141.590%0.89876%0.756SS**  trans-145.7132.6131.7-98.4-69.3000111.6
271L24.5Very low29.9Very low136 Ų136143.1 Ų143.171%0.71275%0.752SS**  trans-91.7149.4173.4-76.265.6000109.4N269N269-L271 HydrophobicContact CB-CD1 4.33Å
272T29.7Very low29.7Very low136 Ų136145.3 Ų145.383%0.83475%0.749SS**  173.2139.912129.30000107.7
273N26.8Very low29.6Very low125 Ų125147.4 Ų147.467%0.66875%0.751SS**  cis118.4145.121.8-172.725.4000109
274H30.5Very low29.3Very low137 Ų137148.9 Ų148.963%0.63475%0.75SS**  trans78.8112.7172.7-71.7-59.2000122.2
275N30.9Very low28.8Very low145 Ų145146.7 Ų146.778%0.77575%0.747SS**  92.2156.2125-622.5000121.1
276E26.5Very low28.7Very low174 Ų174148.6 Ų148.681%0.81375%0.745SS**  trans-88.9155.7-165.3-50.2160.9104.700113.1
277M27.6Very low28.5Very low187 Ų187149.6 Ų149.692%0.92175%0.75SS**  177.2164.8112.4-93.5-170.5-167.700113.9
278K29.8Very low28.3Very low189 Ų189153.5 Ų153.582%0.82275%0.753SS**  trans-55163.7172.8-61165.4175.91700112
279L27.2Very low28.1Very low138 Ų138153.1 Ų153.172%0.72375%0.752SS**  cis-174.516145.3-164.580.3000112.1
280N29.3Very low28Very low121 Ų121152.4 Ų152.465%0.64775%0.752SS**  trans61110.8148.4-92.516.7000124.2
281E31.7Very low28.3Very low134 Ų134146.1 Ų146.163%0.62673%0.734SS**  68.7130.5111.8-102.8-164.1169.600124.2
282K30Very low28.7Very low154 Ų154144.1 Ų144.167%0.6773%0.727SS**  trans96.3139.5150.9-65.8179.6178.885.50119.5
283N31Very low28.9Very low145 Ų145143.5 Ų143.578%0.77572%0.718SS**  trans72.8141.9174.6-50.4-31.5000116.1
284L27.8Very low29.5Very low139 Ų139141.2 Ų141.273%0.72871%0.706SS**  cis-169.8155.7-22.1-115.3173.8000107.1
285L26.9Very low29.7Very low141 Ų141139.8 Ų139.874%0.73870%0.703SS**  trans64.3147.6167.6-91.963.7000116.4
286K28.3Very low29.9Very low158 Ų158136.8 Ų136.869%0.68769%0.687SS**  cis-135.9156.4-9.4-60.3-175.8-179.4176.10108.4
287P24.8Very low30.5Very low131 Ų131133.3 Ų133.385%0.85167%0.674SS**  trans-68.5139.7163.330.8-33.8000110.2
288Y25.2Very low30.9Very low197 Ų197128.4 Ų128.477%0.77365%0.65SS**  trans-125.9137.7174.9-128.4-88.6000111.5
289Q25.9Very low31.2Very low168 Ų168127.8 Ų127.879%0.78564%0.643SS**  trans-50.8130.6-161.1-64.9155.8-46.800115.5
290T26.7Very low31.6Very low116 Ų116128.5 Ų128.571%0.71264%0.636SS**  trans-126.8131.5168.156.40000111.5V292T290-V292 PolarHBondContact O-N 2.99Å
291N33.8Very low31.9Very low98 Ų98123.6 Ų123.652%0.52461%0.611SS.*  trans63.516157.2-64.115.1000121.1L293 N294N291-L293 PolarHBondContact O-N 3.27Å; N291-N294 PolarHBondContact O-N 3.11Å; N291-N294 VanDerWaalsContact O-N 3.08Å
292V33.3Very low32.1Very low93 Ų93122.4 Ų122.456%0.56461%0.608SS**Hα-helixtrans-55.9-18.4176.2-177.80000114.4T290 N296T290-V292 PolarHBondContact O-N 2.99Å; V292-N296 PolarHBondContact O-ND2 3.31Å
293L33.6Very low32.3Very low123 Ų123122 Ų12264%0.64461%0.61SS**Hα-helixtrans-75.3-28.2176.9-76.6169.2000114.5N291N291-L293 PolarHBondContact O-N 3.27Å
294N39.3Very low32.9Very low78 Ų78121.7 Ų121.742%0.41761%0.605SS.*Hα-helixtrans-77.1-45.9-177.5-74.112.2000111.3N291 N296 L297 I298N291-N294 PolarHBondContact O-N 3.11Å; N291-N294 VanDerWaalsContact O-N 3.08Å; N294-N296 VanDerWaalsContact C-N 3.26Å; N294-N296 PolarHBondContact O-N 2.95Å; N294-L297 PolarHBondContact O-N 3.17Å; N294-I298 WeakPolarHBondContact O-CG1 3.46Å; N294-I298 PolarHBondContact O-N 3.09Å; N294-I298 VanDerWaalsContact O-N 3.15Å
295D35.2Very low33.5Very low106 Ų106122.8 Ų122.857%0.56760%0.603SS**Hα-helixtrans-61.3-33.9-178.2-62.7-31.3000112.7R299D295-R299 WeakPolarHBondContact O-CB 3.34Å; D295-R299 WeakPolarHBondContact O-CG 3.44Å; D295-R299 PolarHBondContact O-N 3.19Å
296N34.6Very low33.8Very low83 Ų83120.2 Ų120.244%0.44460%0.597SS.*Hα-helixtrans-78.7-26.9-178.6-75.5-54.9000113.8V292 N294 R300V292-N296 PolarHBondContact O-ND2 3.31Å; N294-N296 VanDerWaalsContact C-N 3.26Å; N294-N296 PolarHBondContact O-N 2.95Å; N296-R300 PolarHBondContact O-N 3.41Å
297L39Very low34Very low101 Ų101118 Ų11853%0.52960%0.601SS.*Hα-helixtrans-71.9-45.8169.7-71.3170.2000110.5N294 R299 R300 S301N294-L297 PolarHBondContact O-N 3.17Å; L297-R299 VanDerWaalsContact C-N 3.32Å; L297-R299 PolarHBondContact O-N 2.94Å; L297-R300 PolarHBondContact O-N 2.78Å; L297-R300 VanDerWaalsContact O-N 3.14Å; L297-S301 PolarHBondContact O-N 2.84Å
298I36.7Very low34.5Very low84 Ų84119 Ų11943%0.43160%0.598SS.*Hα-helixtrans-61.8-39.5177.8-64.7168.3000111N294 L302N294-I298 WeakPolarHBondContact O-CG1 3.46Å; N294-I298 PolarHBondContact O-N 3.09Å; N294-I298 VanDerWaalsContact O-N 3.15Å; I298-L302 HydrophobicContact CG2-CD1 4.1Å; I298-L302 WeakPolarHBondContact O-CG 3.46Å; I298-L302 PolarHBondContact O-N 3.3Å
299R35.7Very low34.8Very low176 Ų176115.3 Ų115.366%0.66460%0.599SS**Hα-helixtrans-62.2-39173.2-87.4-175.8168.5-179.4-3113.9D295 L297 L302 M303D295-R299 WeakPolarHBondContact O-CB 3.34Å; D295-R299 WeakPolarHBondContact O-CG 3.44Å; D295-R299 PolarHBondContact O-N 3.19Å; L297-R299 VanDerWaalsContact C-N 3.32Å; L297-R299 PolarHBondContact O-N 2.94Å; R299-L302 PolarHBondContact O-N 3.18Å; R299-M303 WeakPolarHBondContact O-CG 3.25Å; R299-M303 PolarHBondContact O-N 3.39Å
300R35.7Very low34.8Very low152 Ų152115.5 Ų115.557%0.57460%0.601SS**Hα-helixtrans-64.8-47.3177.4-83-176.9166.2170.3-4111.7N296 L297 L302 M303 E304N296-R300 PolarHBondContact O-N 3.41Å; L297-R300 PolarHBondContact O-N 2.78Å; L297-R300 VanDerWaalsContact O-N 3.14Å; R300-L302 PolarHBondContact O-N 3.35Å; R300-M303 PolarHBondContact O-N 2.83Å; R300-E304 PolarHBondContact O-N 3.5Å
301S35.8Very low35.2Very low19 Ų19116.3 Ų116.313%0.13361%0.606CS.*Hα-helixtrans-57-35.5177.3-155.10000113.3L297 E428L297-S301 PolarHBondContact O-N 2.84Å; S301-E428 WeakPolarHBondContact CB-OE1 3.47Å; S301-E428 PolarHBondContact OG-OE1 2.68Å; S301-E428 PolarHBondContact OG-OE2 2.65Å
302L35.6Very low35Very low109 Ų109117.6 Ų117.657%0.57161%0.613SS**Hα-helixtrans-77.7-15.5177.9-74169.8000114.4I298 R299 R300I298-L302 HydrophobicContact CG2-CD1 4.1Å; I298-L302 WeakPolarHBondContact O-CG 3.46Å; I298-L302 PolarHBondContact O-N 3.3Å; R299-L302 PolarHBondContact O-N 3.18Å; R300-L302 PolarHBondContact O-N 3.35Å
303M33.6Very low35.1Very low144 Ų144123.3 Ų123.371%0.70963%0.631SS**Hα-helixtrans-93.8-28.3176.3-68.3179.173.800112.7R299 R300 S306R299-M303 WeakPolarHBondContact O-CG 3.25Å; R299-M303 PolarHBondContact O-N 3.39Å; R300-M303 PolarHBondContact O-N 2.83Å; M303-S306 PolarHBondContact O-OG 3.48Å
304E43.2Very low35.2Very low140 Ų140123.6 Ų123.665%0.65463%0.633SS**Hα-helixtrans-78.6-19177.6-68.2-173.9128.900113.6R300R300-E304 PolarHBondContact O-N 3.5Å
305K40Very low35Very low161 Ų161126.9 Ų126.970%0.765%0.651SS**THydrogen-bonded Turntrans-84.6-0.1179.1-75.5174.9179161.70115.1
306S33.2Very low34.9Very low88 Ų88127.5 Ų127.562%0.61565%0.654SS**  trans-106.866.4176.858.40000112.6M303M303-S306 PolarHBondContact O-OG 3.48Å
307S32.7Very low35.1Very low110 Ų110131.1 Ų131.177%0.76967%0.673SS**  trans-154.869.8174.4-80.90000112.5
308I35Very low34.9Very low153 Ų153132.5 Ų132.579%0.78568%0.681SS**  trans-125.8133.9170.8-59.7179.4000108.2
309P31.6Very low34.9Very low120 Ų120135.6 Ų135.678%0.77970%0.698SS**  trans-69.6139.9-179.7-18.132000112.9
310M27.4Very low35Very low171 Ų171133 Ų13384%0.84270%0.698SS**  trans-76.3132.1174.3-71-82.2-7600111.6
311T34Very low34.9Very low133 Ų133131.7 Ų131.782%0.81670%0.702SS**  trans-129.4139.5155.951.30000109.2
312N30Very low34.8Very low125 Ų125137.8 Ų137.867%0.66873%0.734SS**  trans-78.2136.8-161.3-56.9-4.9000113.2
313F35.4Very low35Very low214 Ų214138.9 Ų138.994%0.93974%0.74SS**  trans-142.5116.1141-97.5-77.1000109.1
314D34.8Very low35.2Very low129 Ų129135.2 Ų135.269%0.6974%0.739SS**  trans-79128.2179.4-58.2-75.6000111
315N36.6Very low34.9Very low147 Ų147131.2 Ų131.279%0.78674%0.735SS**  177.9130.396.8-96.3-74.6000113.9
316N32.4Very low35.5Very low119 Ų119127.9 Ų127.964%0.63673%0.725SS**  trans46.796.3135.1-169.576.8000119.5
317D39.5Very low36.1Very low159 Ų159130.5 Ų130.585%0.8573%0.731SS**  -149.4146.4121.8-123-25.7000111.9
318N34Very low36.7Very low129 Ų129129 Ų12969%0.6971%0.713SS**  trans-111.9119.5-173.6-75.3-83.8000111.6
319N37Very low37.4Very low149 Ų149124.6 Ų124.680%0.79770%0.7SS**  trans-168.7121.8144.4-107.2-56.4000115.6
320N37.3Very low38.1Very low122 Ų122121.6 Ų121.665%0.65269%0.685SS**  trans33106.1141.5-68.7-57.1000122.1
321N32.8Very low39.1Very low125 Ų125114.2 Ų114.267%0.66865%0.651SS**  63.8145.9118-55.2-24.3000122.9
322N35.2Very low40.1Very low147 Ų147110.9 Ų110.979%0.78663%0.633SS**  trans82.125.9154.6-56.3-16.9000121G324N322-G324 VanDerWaalsContact C-N 3.3Å; N322-G324 PolarHBondContact O-N 3.03Å
323N38.4Very low41.4Very low131 Ų131107.2 Ų107.270%0.70162%0.62SS**G310 helixtrans-72.7-8.1176.4-78.9-26.7000116.6G325 N326N323-G325 VanDerWaalsContact C-N 3.25Å; N323-G325 PolarHBondContact O-N 2.84Å; N323-N326 PolarHBondContact O-N 3.45Å; N323-N326 PolarHBondContact OD1-ND2 2.76Å
324G37.9Very low42.4Very low67 Ų6799 Ų9969%0.69159%0.591SS**G310 helixtrans-65.7-18.1-176.300000115.9N322N322-G324 VanDerWaalsContact C-N 3.3Å; N322-G324 PolarHBondContact O-N 3.03Å
325G37.9Very low43.6Very low56 Ų5693.3 Ų93.358%0.57756%0.561SS**G310 helixtrans-88.6-13.717800000115N323 L327N323-G325 VanDerWaalsContact C-N 3.25Å; N323-G325 PolarHBondContact O-N 2.84Å; G325-L327 PolarHBondContact O-N 3.41Å
326N52.4Low44.7Very low92 Ų9288.5 Ų88.549%0.49254%0.542SS..Hα-helixtrans-74.9-22.8-166.2-76.4-19.6000114.3N323 A329 A330N323-N326 PolarHBondContact O-N 3.45Å; N323-N326 PolarHBondContact OD1-ND2 2.76Å; N326-A329 PolarHBondContact O-N 3.06Å; N326-A330 WeakPolarHBondContact O-CB 3.27Å; N326-A330 PolarHBondContact O-N 3.01Å
327L45.3Very low45.9Very low142 Ų14287.4 Ų87.474%0.74354%0.536SS*.Hα-helixtrans-67.6-45.1-173.7-174.161.2000113.1G325 A330 A331G325-L327 PolarHBondContact O-N 3.41Å; L327-A330 PolarHBondContact O-N 2.84Å; L327-A331 WeakPolarHBondContact O-CB 3.4Å; L327-A331 PolarHBondContact O-N 3.11Å
328M44.9Very low47Very low80 Ų8081.5 Ų81.539%0.39450%0.504SS..Hα-helixtrans-69.3-36.9175.9-69.1-64.6-69.400111.6A331 S332 D355M328-A331 PolarHBondContact O-N 3.46Å; M328-S332 VanDerWaalsContact O-CB 3.25Å; M328-S332 WeakPolarHBondContact O-CB 3.35Å; M328-S332 PolarHBondContact O-N 2.83Å; M328-D355 WeakPolarHBondContact CE-OD1 2.93Å
329A50.2Low48.4Very low60 Ų6077.8 Ų77.850%0.49648%0.483SS..Hα-helixtrans-64-41.7174.500000111.9N326 S332 A333N326-A329 PolarHBondContact O-N 3.06Å; A329-S332 PolarHBondContact O-N 3.33Å; A329-A333 VanDerWaalsContact O-CB 3.28Å; A329-A333 WeakPolarHBondContact O-CB 3.25Å; A329-A333 PolarHBondContact O-N 3.24Å
330A46.1Very low49.5Very low57 Ų5781.3 Ų81.347%0.47149%0.485SS..Hα-helixtrans-67.8-41.4175.300000112.1N326 L327 A333 A334N326-A330 WeakPolarHBondContact O-CB 3.27Å; N326-A330 PolarHBondContact O-N 3.01Å; L327-A330 PolarHBondContact O-N 2.84Å; A330-A333 PolarHBondContact O-N 2.93Å; A330-A334 VanDerWaalsContact O-CB 3.25Å; A330-A334 WeakPolarHBondContact O-CB 3.38Å; A330-A334 PolarHBondContact O-N 2.63Å
331A47.9Very low50.4Low15 Ų1585.1 Ų85.112%0.12449%0.49CS..Hα-helixtrans-63.9-42.1174.400000111.9L327 M328 A334 L335 F435L327-A331 WeakPolarHBondContact O-CB 3.4Å; L327-A331 PolarHBondContact O-N 3.11Å; M328-A331 PolarHBondContact O-N 3.46Å; A331-A334 PolarHBondContact O-N 3.11Å; A331-L335 WeakPolarHBondContact O-CB 3.45Å; A331-L335 WeakPolarHBondContact O-CG 3.38Å; A331-L335 PolarHBondContact O-N 2.83Å; A331-F435 HydrophobicContact CB-CD2 4.11Å; A331-F435 HydrophobicContact CB-CG 4.49Å
332S55.1Low51.9Low63 Ų6380.9 Ų80.944%0.44148%0.476SS..Hα-helixtrans-65.4-39174.8-1690000112.1M328 A329 L335 A336M328-S332 VanDerWaalsContact O-CB 3.25Å; M328-S332 WeakPolarHBondContact O-CB 3.35Å; M328-S332 PolarHBondContact O-N 2.83Å; A329-S332 PolarHBondContact O-N 3.33Å; S332-L335 WeakPolarHBondContact O-CB 3.42Å; S332-L335 PolarHBondContact O-N 2.82Å; S332-A336 WeakPolarHBondContact O-CB 3.46Å; S332-A336 PolarHBondContact O-N 3.25Å
333A58.4Low53.9Low48 Ų4877 Ų7740%0.39746%0.46SS..Hα-helixtrans-69.5-38.6173.600000112.9A329 A330 A336 N337A329-A333 VanDerWaalsContact O-CB 3.28Å; A329-A333 WeakPolarHBondContact O-CB 3.25Å; A329-A333 PolarHBondContact O-N 3.24Å; A330-A333 PolarHBondContact O-N 2.93Å; A333-A336 PolarHBondContact O-N 3.23Å; A333-N337 WeakPolarHBondContact O-CB 3.32Å; A333-N337 PolarHBondContact O-N 3.21Å; A333-N337 PolarHBondContact O-ND2 2.99Å
334A55.4Low56.1Low41 Ų4170.8 Ų70.834%0.33943%0.427SS..Hα-helixtrans-64.4-43.5173.600000110.8A330 A331 N337 L338A330-A334 VanDerWaalsContact O-CB 3.25Å; A330-A334 WeakPolarHBondContact O-CB 3.38Å; A330-A334 PolarHBondContact O-N 2.63Å; A331-A334 PolarHBondContact O-N 3.11Å; A334-N337 PolarHBondContact O-N 3.22Å; A334-L338 VanDerWaalsContact O-CB 3.31Å; A334-L338 WeakPolarHBondContact O-CB 3.21Å; A334-L338 PolarHBondContact O-N 3Å
335L61.1Low58.7Low10 Ų1072.2 Ų72.25%0.05242%0.416CS..Hα-helixtrans-55.9-52.7168-86.5171.9000111.1A331 S332 N337 L338 H339 L344 A352 F435A331-L335 WeakPolarHBondContact O-CB 3.45Å; A331-L335 WeakPolarHBondContact O-CG 3.38Å; A331-L335 PolarHBondContact O-N 2.83Å; S332-L335 WeakPolarHBondContact O-CB 3.42Å; S332-L335 PolarHBondContact O-N 2.82Å; L335-N337 VanDerWaalsContact C-N 3.28Å; L335-N337 PolarHBondContact O-N 2.98Å; L335-L338 CarbonylContact O-C 3.53Å; L335-L338 PolarHBondContact O-N 3.02Å; L335-H339 VanDerWaalsContact O-CG 3.29Å; L335-H339 PolarHBondContact O-N 3.48Å; L335-H339 PolarHBondContact O-ND1 2.95Å; L335-L344 HydrophobicContact CD2-CD1 4.29Å; L335-A352 HydrophobicContact CD1-CB 3.79Å; L335-A352 HydrophobicContact CD2-CB 3.97Å; L335-A352 HydrophobicContact CG-CB 4.44Å; L335-F435 HydrophobicContact CD1-CE1 4.17Å; L335-F435 HydrophobicContact CD1-CZ 3.77Å; L335-F435 HydrophobicContact CD2-CE1 3.47Å; L335-F435 VanDerWaalsContact CD2-CE1 3.47Å; L335-F435 HydrophobicContact CD2-CZ 3.69Å; L335-F435 HydrophobicContact CG-CD1 4.39Å; L335-F435 HydrophobicContact CG-CE1 3.41Å; L335-F435 VanDerWaalsContact CG-CE1 3.41Å; L335-F435 HydrophobicContact CG-CZ 3.54Å
336A60.5Low61.4Low47 Ų4769.7 Ų69.739%0.38839%0.389SS..Hα-helixtrans-56.7-40.717900000112.4S332 A333 R340S332-A336 WeakPolarHBondContact O-CB 3.46Å; S332-A336 PolarHBondContact O-N 3.25Å; A333-A336 PolarHBondContact O-N 3.23Å; A336-R340 WeakPolarHBondContact O-CG 3.43Å; A336-R340 PolarHBondContact O-N 3Å; A336-R340 VanDerWaalsContact O-N 3.11Å
337N57.7Low63.3Low95 Ų9566 Ų6651%0.50837%0.368SS..Hα-helixtrans-66.2-36.6173.3-77.6-33.4000112.8A333 A334 L335 R340 R341A333-N337 WeakPolarHBondContact O-CB 3.32Å; A333-N337 PolarHBondContact O-N 3.21Å; A333-N337 PolarHBondContact O-ND2 2.99Å; A334-N337 PolarHBondContact O-N 3.22Å; L335-N337 VanDerWaalsContact C-N 3.28Å; L335-N337 PolarHBondContact O-N 2.98Å; N337-R340 WeakPolarHBondContact O-CB 3.36Å; N337-R340 PolarHBondContact O-N 2.79Å; N337-R341 WeakPolarHBondContact O-CG 3.26Å; N337-R341 PolarHBondContact O-N 3.07Å
338L62.2Low65.6Low35 Ų3559.9 Ų59.918%0.18334%0.336CS..Hα-helixtrans-75.4-35.8178.9-166.958.8000112.3A334 L335 R340 R341 G342 S343 L344A334-L338 VanDerWaalsContact O-CB 3.31Å; A334-L338 WeakPolarHBondContact O-CB 3.21Å; A334-L338 PolarHBondContact O-N 3Å; L335-L338 CarbonylContact O-C 3.53Å; L335-L338 PolarHBondContact O-N 3.02Å; L338-R340 PolarHBondContact O-N 3.06Å; L338-R341 PolarHBondContact O-N 3.24Å; L338-G342 PolarHBondContact O-N 2.81Å; L338-S343 VanDerWaalsContact CD1-OG 3.27Å; L338-S343 WeakPolarHBondContact CD1-OG 3.44Å; L338-L344 HydrophobicContact CB-CD1 4.21Å; L338-L344 HydrophobicContact CD2-CD1 3.58Å; L338-L344 HydrophobicContact CG-CB 4.01Å; L338-L344 HydrophobicContact CG-CD1 3.68Å; L338-L344 HydrophobicContact CG-CG 4.47Å
339H63.5Low67.9Low51 Ų5156.4 Ų56.424%0.23632%0.319CS..Hα-helixtrans-59-32.7166.2-66.4116.1000111.6L335 L344 Q387L335-H339 VanDerWaalsContact O-CG 3.29Å; L335-H339 PolarHBondContact O-N 3.48Å; L335-H339 PolarHBondContact O-ND1 2.95Å; H339-L344 WeakPolarHBondContact CD2-CD2 3.33Å; H339-Q387 PolarHBondContact CD2-OE1 2.78Å; H339-Q387 PolarHBondContact O-NE2 3.41Å
340R59.1Low70.1Confident224 Ų22453.6 Ų53.685%0.84530%0.295SS*.Hα-helixtrans-78-35.6176.8-67.3-88-171.6-114.5-4.1113.6A336 N337 L338A336-R340 WeakPolarHBondContact O-CG 3.43Å; A336-R340 PolarHBondContact O-N 3Å; A336-R340 VanDerWaalsContact O-N 3.11Å; N337-R340 WeakPolarHBondContact O-CB 3.36Å; N337-R340 PolarHBondContact O-N 2.79Å; L338-R340 PolarHBondContact O-N 3.06Å
341R57.5Low72.3Confident201 Ų20151 Ų5176%0.75827%0.273SS*.Hα-helixtrans-88.1-0.3-173.3-69.8-178.4-169.9-114.410.3115N337 L338 S343N337-R341 WeakPolarHBondContact O-CG 3.26Å; N337-R341 PolarHBondContact O-N 3.07Å; L338-R341 PolarHBondContact O-N 3.24Å; R341-S343 PolarHBondContact O-N 3.11Å
342G63.2Low74.3Confident36 Ų3650.9 Ų50.937%0.37127%0.273SS..SBendtrans73.3-17.5174.300000115.8L338 L344 K388L338-G342 PolarHBondContact O-N 2.81Å; G342-L344 PolarHBondContact O-N 3.3Å; G342-K388 PolarHBondContact O-NZ 3.07Å
343S76.7Confident76.2Confident66 Ų6648.9 Ų48.946%0.46226%0.257SS..  trans-75.5-0.9178.749.40000115L338 R341 Q345L338-S343 VanDerWaalsContact CD1-OG 3.27Å; L338-S343 WeakPolarHBondContact CD1-OG 3.44Å; R341-S343 PolarHBondContact O-N 3.11Å; S343-Q345 PolarHBondContact O-N 2.87Å
344L86.1Confident77.9Confident0 Ų047.1 Ų47.10%024%0.241CC..  trans-51.7135.5173.9-171.467.9000112.4L335 L338 H339 G342 Q348 F349 W384 Q387 K388L335-L344 HydrophobicContact CD2-CD1 4.29Å; L338-L344 HydrophobicContact CB-CD1 4.21Å; L338-L344 HydrophobicContact CD2-CD1 3.58Å; L338-L344 HydrophobicContact CG-CB 4.01Å; L338-L344 HydrophobicContact CG-CD1 3.68Å; L338-L344 HydrophobicContact CG-CG 4.47Å; H339-L344 WeakPolarHBondContact CD2-CD2 3.33Å; G342-L344 PolarHBondContact O-N 3.3Å; L344-Q348 HydrophobicContact CD1-CB 3.59Å; L344-F349 HydrophobicContact CD2-CB 3.79Å; L344-F349 HydrophobicContact CD2-CD2 4.1Å; L344-F349 HydrophobicContact CD2-CG 4.42Å; L344-F349 HydrophobicContact CG-CB 4.19Å; L344-W384 HydrophobicContact CD2-CZ3 4.41Å; L344-W384 HydrophobicContact CG-CZ3 4.49Å; L344-W384 WeakPolarHBondContact O-CH2 3.35Å; L344-Q387 HydrophobicContact CD2-CG 3.74Å; L344-K388 PolarHBondContact O-NZ 3.33Å
345Q91.1Very high79.6Confident98 Ų9848.6 Ų48.646%0.45824%0.243SC..  trans-96.1151.6173.7-53.7-173.915.600111.1S343 W347 Q348 F349S343-Q345 PolarHBondContact O-N 2.87Å; Q345-W347 VanDerWaalsContact C-N 3.26Å; Q345-W347 PolarHBondContact O-N 2.77Å; Q345-Q348 HydrophobicContact CB-CG 4.49Å; Q345-Q348 VanDerWaalsContact CB-OE1 3.3Å; Q345-Q348 PolarHBondContact O-N 3Å; Q345-Q348 VanDerWaalsContact O-N 3.11Å; Q345-F349 PolarHBondContact O-N 3.35Å
346L94.9Very high81Confident2 Ų251.5 Ų51.51%0.0126%0.258CS..Hα-helixtrans-56.4-38.7-175.1171.665.1000112.6F349 L350 W384 L398 S401 L402 Y405L346-F349 HydrophobicContact CD1-CD1 4.14Å; L346-F349 WeakPolarHBondContact O-CB 3.47Å; L346-F349 PolarHBondContact O-N 3.28Å; L346-L350 HydrophobicContact CD1-CD1 3.92Å; L346-L350 HydrophobicContact CD1-CG 4.04Å; L346-L350 HydrophobicContact CD2-CD1 4.45Å; L346-L350 HydrophobicContact CG-CD1 3.82Å; L346-L350 HydrophobicContact CG-CG 4.38Å; L346-L350 VanDerWaalsContact O-CG 3.26Å; L346-L350 WeakPolarHBondContact O-CG 3.44Å; L346-L350 PolarHBondContact O-N 2.86Å; L346-W384 HydrophobicContact CB-CD2 4.49Å; L346-W384 HydrophobicContact CB-CH2 4.02Å; L346-W384 HydrophobicContact CB-CZ2 3.65Å; L346-W384 HydrophobicContact CD1-CD2 3.72Å; L346-W384 HydrophobicContact CD1-CE3 4.24Å; L346-W384 HydrophobicContact CD1-CG 3.82Å; L346-W384 HydrophobicContact CD1-CZ2 4.41Å; L346-W384 VanDerWaalsContact N-CH2 3.29Å; L346-L398 HydrophobicContact CD1-CD1 3.89Å; L346-L398 HydrophobicContact CD1-CD2 4.46Å; L346-L398 HydrophobicContact CD1-CG 3.95Å; L346-L398 HydrophobicContact CD2-CD2 4.21Å; L346-L398 HydrophobicContact CD2-CG 3.92Å; L346-S401 VanDerWaalsContact CD2-CB 3.45Å; L346-L402 HydrophobicContact CD2-CD2 4.15Å; L346-L402 HydrophobicContact CD2-CG 4.42Å; L346-Y405 HydrophobicContact CB-CE2 4.1Å; L346-Y405 HydrophobicContact CD2-CE2 4.12Å; L346-Y405 HydrophobicContact CG-CE2 4.24Å
347W93.2Very high82.3Confident15 Ų1556.9 Ų56.96%0.05727%0.273CS..Hα-helixtrans-69.1-35.6-179.271.3-87.5000113Q345 L350 I351 Y405 I410 M411 F423 L430 L433 A434Q345-W347 VanDerWaalsContact C-N 3.26Å; Q345-W347 PolarHBondContact O-N 2.77Å; W347-L350 PolarHBondContact O-N 3.18Å; W347-I351 HydrophobicContact CE3-CD1 3.65Å; W347-I351 HydrophobicContact CZ3-CD1 3.75Å; W347-I351 WeakPolarHBondContact O-CG1 3.35Å; W347-I351 PolarHBondContact O-N 2.87Å; W347-I351 VanDerWaalsContact O-N 3.1Å; W347-Y405 HydrophobicContact CB-CD2 4.33Å; W347-Y405 HydrophobicContact CB-CE2 3.79Å; W347-Y405 AromaticContact CD1-CZ 3.77Å; W347-I410 HydrophobicContact CB-CG2 4.4Å; W347-I410 HydrophobicContact CD2-CG2 4.29Å; W347-I410 HydrophobicContact CE3-CG2 4.48Å; W347-I410 HydrophobicContact CG-CG2 4.28Å; W347-M411 HydrophobicContact CB-CE 3.69Å; W347-F423 HydrophobicContact CB-CE1 4.35Å; W347-F423 HydrophobicContact CE3-CE1 4.43Å; W347-L430 HydrophobicContact CE3-CD1 3.82Å; W347-L430 HydrophobicContact CE3-CG 4.44Å; W347-L430 HydrophobicContact CH2-CD1 4.38Å; W347-L430 HydrophobicContact CZ3-CD1 3.47Å; W347-L430 VanDerWaalsContact CZ3-CD1 3.47Å; W347-L430 HydrophobicContact CZ3-CG 3.91Å; W347-L430 WeakPolarHBondContact CZ3-O 3.39Å; W347-L433 HydrophobicContact CH2-CB 4.04Å; W347-A434 VanDerWaalsContact CH2-CA 3.47Å; W347-A434 HydrophobicContact CH2-CB 3.59Å; W347-A434 HydrophobicContact CZ2-CB 4.46Å; W347-A434 HydrophobicContact CZ3-CB 3.65Å
348Q92.1Very high83.9Confident14 Ų1460.1 Ų60.17%0.06529%0.285CS..Hα-helixtrans-67.3-41.4173-62.8166.4-55.700111L344 Q345 L350 I351 A352 A434L344-Q348 HydrophobicContact CD1-CB 3.59Å; Q345-Q348 HydrophobicContact CB-CG 4.49Å; Q345-Q348 VanDerWaalsContact CB-OE1 3.3Å; Q345-Q348 PolarHBondContact O-N 3Å; Q345-Q348 VanDerWaalsContact O-N 3.11Å; Q348-L350 PolarHBondContact O-N 3.45Å; Q348-I351 PolarHBondContact O-N 3.34Å; Q348-A352 PolarHBondContact O-N 2.9Å; Q348-A434 HydrophobicContact CG-CB 4.04Å; Q348-A434 PolarHBondContact NE2-O 2.87Å
349F94.3Very high85.3Confident7 Ų758.7 Ų58.73%0.03128%0.278CS..Hα-helixtrans-60.2-41.7173.4171.3-101.1000112.5L344 Q345 L346 I351 A352 L353 L383 W384 Q387L344-F349 HydrophobicContact CD2-CB 3.79Å; L344-F349 HydrophobicContact CD2-CD2 4.1Å; L344-F349 HydrophobicContact CD2-CG 4.42Å; L344-F349 HydrophobicContact CG-CB 4.19Å; Q345-F349 PolarHBondContact O-N 3.35Å; L346-F349 HydrophobicContact CD1-CD1 4.14Å; L346-F349 WeakPolarHBondContact O-CB 3.47Å; L346-F349 PolarHBondContact O-N 3.28Å; F349-I351 VanDerWaalsContact C-N 3.35Å; F349-A352 WeakPolarHBondContact O-CB 3.47Å; F349-A352 PolarHBondContact O-N 2.91Å; F349-L353 HydrophobicContact CD1-CD1 4.23Å; F349-L353 HydrophobicContact CE1-CD1 3.5Å; F349-L353 VanDerWaalsContact CE1-CD1 3.5Å; F349-L353 HydrophobicContact CE1-CG 4.25Å; F349-L353 HydrophobicContact CE2-CD1 4.25Å; F349-L353 HydrophobicContact CE2-CG 4.3Å; F349-L353 HydrophobicContact CZ-CD1 3.52Å; F349-L353 HydrophobicContact CZ-CD2 4.46Å; F349-L353 HydrophobicContact CZ-CG 4.06Å; F349-L353 PolarHBondContact O-N 3.33Å; F349-L383 HydrophobicContact CZ-CB 3.84Å; F349-W384 HydrophobicContact CB-CE3 3.84Å; F349-W384 HydrophobicContact CB-CZ3 3.71Å; F349-W384 HydrophobicContact CD1-CB 4.2Å; F349-W384 HydrophobicContact CD1-CD2 4.22Å; F349-W384 AromaticContact CD1-CE3 3.6Å; F349-W384 HydrophobicContact CD1-CE3 3.6Å; F349-W384 HydrophobicContact CD1-CG 4.49Å; F349-W384 HydrophobicContact CD1-CZ3 4.36Å; F349-W384 HydrophobicContact CD2-CE3 4.05Å; F349-W384 HydrophobicContact CD2-CZ3 4.47Å; F349-W384 HydrophobicContact CE1-CB 3.65Å; F349-W384 HydrophobicContact CE1-CE3 4.11Å; F349-W384 HydrophobicContact CE1-CG 4.39Å; F349-W384 AromaticContact CG-CE3 3.55Å; F349-W384 HydrophobicContact CG-CE3 3.55Å; F349-W384 AromaticContact CG-CZ3 3.95Å; F349-W384 HydrophobicContact CG-CZ3 3.95Å; F349-W384 HydrophobicContact CZ-CB 4.1Å; F349-Q387 HydrophobicContact CD2-CB 4.31Å; F349-Q387 HydrophobicContact CD2-CG 3.91Å; F349-Q387 HydrophobicContact CE2-CB 4.03Å; F349-Q387 HydrophobicContact CE2-CG 4.1Å
350L95.6Very high86.6Confident0 Ų060.7 Ų60.70%029%0.288CS..Hα-helixtrans-67.2-33.9176.3-70.7164.6000112.3L346 W347 Q348 L354 I363 L374 V380 L402 M411L346-L350 HydrophobicContact CD1-CD1 3.92Å; L346-L350 HydrophobicContact CD1-CG 4.04Å; L346-L350 HydrophobicContact CD2-CD1 4.45Å; L346-L350 HydrophobicContact CG-CD1 3.82Å; L346-L350 HydrophobicContact CG-CG 4.38Å; L346-L350 VanDerWaalsContact O-CG 3.26Å; L346-L350 WeakPolarHBondContact O-CG 3.44Å; L346-L350 PolarHBondContact O-N 2.86Å; W347-L350 PolarHBondContact O-N 3.18Å; Q348-L350 PolarHBondContact O-N 3.45Å; L350-L354 WeakPolarHBondContact O-CB 3.35Å; L350-L354 WeakPolarHBondContact O-CD1 3.38Å; L350-L354 VanDerWaalsContact O-CG 3.26Å; L350-L354 WeakPolarHBondContact O-CG 3.32Å; L350-L354 PolarHBondContact O-N 3.02Å; L350-I363 HydrophobicContact CB-CD1 4.45Å; L350-I363 HydrophobicContact CD2-CD1 3.58Å; L350-L374 HydrophobicContact CD2-CD2 4.15Å; L350-V380 HydrophobicContact CD2-CG1 3.83Å; L350-L402 HydrophobicContact CD1-CD2 3.73Å; L350-M411 HydrophobicContact CD1-CE 3.88Å
351I92.2Very high88.3Confident2 Ų256.5 Ų56.51%0.0128%0.278CS..Hα-helixtrans-65-42.8170.5-66.9166.8000110.6W347 Q348 F349 L353 L354 D355 F423 L430 F431W347-I351 HydrophobicContact CE3-CD1 3.65Å; W347-I351 HydrophobicContact CZ3-CD1 3.75Å; W347-I351 WeakPolarHBondContact O-CG1 3.35Å; W347-I351 PolarHBondContact O-N 2.87Å; W347-I351 VanDerWaalsContact O-N 3.1Å; Q348-I351 PolarHBondContact O-N 3.34Å; F349-I351 VanDerWaalsContact C-N 3.35Å; I351-L353 PolarHBondContact O-N 2.88Å; I351-L354 CarbonylContact O-C 3.5Å; I351-L354 WeakPolarHBondContact O-CA 3.46Å; I351-L354 WeakPolarHBondContact O-CB 3.3Å; I351-L354 PolarHBondContact O-N 2.73Å; I351-D355 PolarHBondContact O-N 2.78Å; I351-D355 VanDerWaalsContact O-N 3.09Å; I351-F423 HydrophobicContact CD1-CE1 4.22Å; I351-F423 HydrophobicContact CD1-CZ 4.19Å; I351-F423 HydrophobicContact CG1-CE1 4.15Å; I351-F423 HydrophobicContact CG1-CE2 4.16Å; I351-F423 HydrophobicContact CG1-CZ 3.6Å; I351-L430 HydrophobicContact CD1-CD1 4.42Å; I351-L430 HydrophobicContact CD1-CD2 3.75Å; I351-L430 HydrophobicContact CD1-CG 3.79Å; I351-L430 HydrophobicContact CG1-CD2 4.4Å; I351-F431 HydrophobicContact CG2-CE1 3.9Å; I351-F431 HydrophobicContact CG2-CE2 4.33Å; I351-F431 HydrophobicContact CG2-CZ 3.73Å
352A90.9Very high90.2Very high14 Ų1447.6 Ų47.612%0.11625%0.245CC..Hα-helixtrans-59.9-46.2177.900000112.4L335 Q348 F349 L354 D355 D356L335-A352 HydrophobicContact CD1-CB 3.79Å; L335-A352 HydrophobicContact CD2-CB 3.97Å; L335-A352 HydrophobicContact CG-CB 4.44Å; Q348-A352 PolarHBondContact O-N 2.9Å; F349-A352 WeakPolarHBondContact O-CB 3.47Å; F349-A352 PolarHBondContact O-N 2.91Å; A352-L354 PolarHBondContact O-N 3.02Å; A352-D355 PolarHBondContact O-N 3.48Å; A352-D356 PolarHBondContact O-N 3.02Å; A352-D356 VanDerWaalsContact O-N 3.17Å
353L94.3Very high91.8Very high21 Ų2145.9 Ų45.911%0.1123%0.227CC..Hα-helixtrans-68.3-11.3174.2-65.1-177.2000114F349 I351 S359 I363 V380 L383F349-L353 HydrophobicContact CD1-CD1 4.23Å; F349-L353 HydrophobicContact CE1-CD1 3.5Å; F349-L353 VanDerWaalsContact CE1-CD1 3.5Å; F349-L353 HydrophobicContact CE1-CG 4.25Å; F349-L353 HydrophobicContact CE2-CD1 4.25Å; F349-L353 HydrophobicContact CE2-CG 4.3Å; F349-L353 HydrophobicContact CZ-CD1 3.52Å; F349-L353 HydrophobicContact CZ-CD2 4.46Å; F349-L353 HydrophobicContact CZ-CG 4.06Å; F349-L353 PolarHBondContact O-N 3.33Å; I351-L353 PolarHBondContact O-N 2.88Å; L353-S359 WeakPolarHBondContact O-CB 3.37Å; L353-S359 PolarHBondContact O-OG 2.95Å; L353-I363 HydrophobicContact CB-CG2 3.54Å; L353-I363 HydrophobicContact CD1-CG2 4.24Å; L353-I363 WeakPolarHBondContact O-CG2 3.32Å; L353-V380 HydrophobicContact CD1-CG1 4.22Å; L353-L383 HydrophobicContact CD2-CD1 4.49Å
354L94.6Very high92.7Very high11 Ų1144.4 Ų44.46%0.05822%0.216CC..Hα-helixtrans-99.3-10.3177.6-84.2168.6000113.8L350 I351 A352 I363 C364 W365 F372 F423L350-L354 WeakPolarHBondContact O-CB 3.35Å; L350-L354 WeakPolarHBondContact O-CD1 3.38Å; L350-L354 VanDerWaalsContact O-CG 3.26Å; L350-L354 WeakPolarHBondContact O-CG 3.32Å; L350-L354 PolarHBondContact O-N 3.02Å; I351-L354 CarbonylContact O-C 3.5Å; I351-L354 WeakPolarHBondContact O-CA 3.46Å; I351-L354 WeakPolarHBondContact O-CB 3.3Å; I351-L354 PolarHBondContact O-N 2.73Å; A352-L354 PolarHBondContact O-N 3.02Å; L354-I363 HydrophobicContact CD1-CD1 4.02Å; L354-I363 HydrophobicContact CD1-CG1 4.43Å; L354-I363 HydrophobicContact CD2-CD1 4.27Å; L354-I363 HydrophobicContact CD2-CG1 3.83Å; L354-I363 HydrophobicContact CG-CD1 3.83Å; L354-I363 HydrophobicContact CG-CG1 3.95Å; L354-C364 VanDerWaalsContact CD2-C 3.43Å; L354-W365 HydrophobicContact CB-CZ2 3.71Å; L354-W365 HydrophobicContact CD1-CD2 4.42Å; L354-W365 HydrophobicContact CD1-CE3 4.42Å; L354-W365 HydrophobicContact CD1-CH2 3.81Å; L354-W365 HydrophobicContact CD1-CZ2 3.79Å; L354-W365 HydrophobicContact CD1-CZ3 4.13Å; L354-W365 HydrophobicContact CD2-CD2 3.97Å; L354-W365 HydrophobicContact CD2-CG 4.08Å; L354-W365 HydrophobicContact CD2-CZ2 4.45Å; L354-W365 HydrophobicContact CG-CZ2 4.2Å; L354-W365 PolarHBondContact O-NE1 3.05Å; L354-F372 HydrophobicContact CD1-CB 3.64Å; L354-F372 HydrophobicContact CD1-CD1 4.1Å; L354-F372 HydrophobicContact CD1-CD2 4.11Å; L354-F372 HydrophobicContact CD1-CG 3.71Å; L354-F372 HydrophobicContact CD2-CB 3.92Å; L354-F372 HydrophobicContact CG-CB 4.43Å; L354-F423 HydrophobicContact CD1-CE2 4.23Å
355D90.7Very high93.2Very high72 Ų7248.4 Ų48.439%0.38523%0.232SC..Hα-helixtrans-97.2-34.1172.1-166.851.7000111.3M328 I351 A352M328-D355 WeakPolarHBondContact CE-OD1 2.93Å; I351-D355 PolarHBondContact O-N 2.78Å; I351-D355 VanDerWaalsContact O-N 3.09Å; A352-D355 PolarHBondContact O-N 3.48Å
356D90.3Very high93.3Very high70 Ų7046 Ų4637%0.37422%0.224SC..  trans-61.2143.2169.6176.632.8000111.9A352 E358 S359A352-D356 PolarHBondContact O-N 3.02Å; A352-D356 VanDerWaalsContact O-N 3.17Å; D356-E358 PolarHBondContact OD1-N 2.65Å; D356-S359 WeakPolarHBondContact CB-OG 3.43Å; D356-S359 PolarHBondContact O-OG 2.85Å; D356-S359 WeakPolarHBondContact OD2-CB 3.44Å; D356-S359 PolarHBondContact OD2-N 3.36Å; D356-S359 VanDerWaalsContact OD2-N 3.11Å; D356-S359 PolarHBondContact OD2-OG 2.7Å
357K88.8Confident93.1Very high161 Ų16148.8 Ų48.870%0.725%0.253SS*.SBendtrans-91.5-28.1179.8-65.3178.3-176.7174.10111.9Q360K357-Q360 WeakPolarHBondContact O-CG 3.41Å
358E90.4Very high92.8Very high162 Ų16254 Ų5476%0.75727%0.273SS*.G310 helixtrans-72.6-40.1-179.9-59.9-169.2176.500110.5D356 Q360 H361D356-E358 PolarHBondContact OD1-N 2.65Å; E358-Q360 VanDerWaalsContact C-N 3.26Å; E358-Q360 PolarHBondContact O-N 3.09Å; E358-H361 PolarHBondContact O-CE1 2.76Å; E358-H361 VanDerWaalsContact O-CE1 3.27Å; E358-H361 PolarHBondContact O-ND1 2.82Å
359S90.9Very high92.6Very high6 Ų660 Ų604%0.04230%0.299CS..G310 helixtrans-66.1-7.4175.857.40000116.9L353 D356 H361 L362 I363L353-S359 WeakPolarHBondContact O-CB 3.37Å; L353-S359 PolarHBondContact O-OG 2.95Å; D356-S359 WeakPolarHBondContact CB-OG 3.43Å; D356-S359 PolarHBondContact O-OG 2.85Å; D356-S359 WeakPolarHBondContact OD2-CB 3.44Å; D356-S359 PolarHBondContact OD2-N 3.36Å; D356-S359 VanDerWaalsContact OD2-N 3.11Å; D356-S359 PolarHBondContact OD2-OG 2.7Å; S359-H361 PolarHBondContact O-N 3.1Å; S359-L362 WeakPolarHBondContact O-CA 3.5Å; S359-L362 WeakPolarHBondContact O-CB 3.47Å; S359-L362 PolarHBondContact O-N 2.92Å; S359-I363 PolarHBondContact O-N 3.13Å; S359-I363 VanDerWaalsContact O-N 3.11Å
360Q92.5Very high92.4Very high92 Ų9260.8 Ų60.843%0.4330%0.303SS..G310 helixtrans-59-25.8-174.4-71.4-175.4300114.4K357 E358 L362 I363 N375K357-Q360 WeakPolarHBondContact O-CG 3.41Å; E358-Q360 VanDerWaalsContact C-N 3.26Å; E358-Q360 PolarHBondContact O-N 3.09Å; Q360-L362 VanDerWaalsContact C-N 3.27Å; Q360-L362 PolarHBondContact O-N 3.5Å; Q360-I363 WeakPolarHBondContact CA-O 3.3Å; Q360-N375 PolarHBondContact O-ND2 3.25Å
361H94.4Very high92.4Very high137 Ų13760.8 Ų60.863%0.63430%0.303SS*.G310 helixtrans-71.1-21174.769.8-79.1000113.3E358 S359 N375E358-H361 PolarHBondContact O-CE1 2.76Å; E358-H361 VanDerWaalsContact O-CE1 3.27Å; E358-H361 PolarHBondContact O-ND1 2.82Å; S359-H361 PolarHBondContact O-N 3.1Å; H361-N375 VanDerWaalsContact O-CB 3.3Å; H361-N375 WeakPolarHBondContact O-CB 3.26Å
362L96.6Very high92.6Very high13 Ų1360.7 Ų60.77%0.06830%0.302CS..THydrogen-bonded Turntrans-95.6-41.5179.7-52.6179.6000112S359 Q360 N375 D376 E379 V380 L383S359-L362 WeakPolarHBondContact O-CA 3.5Å; S359-L362 WeakPolarHBondContact O-CB 3.47Å; S359-L362 PolarHBondContact O-N 2.92Å; Q360-L362 VanDerWaalsContact C-N 3.27Å; Q360-L362 PolarHBondContact O-N 3.5Å; L362-N375 PolarHBondContact O-N 3.42Å; L362-D376 HydrophobicContact CD2-CB 4.05Å; L362-D376 PolarHBondContact O-N 3.03Å; L362-E379 HydrophobicContact CD1-CG 3.89Å; L362-E379 HydrophobicContact CD2-CB 3.97Å; L362-E379 HydrophobicContact CD2-CG 3.48Å; L362-E379 VanDerWaalsContact CD2-CG 3.48Å; L362-E379 HydrophobicContact CG-CG 4.3Å; L362-V380 HydrophobicContact CB-CG2 3.96Å; L362-L383 HydrophobicContact CD1-CD1 3.56Å
363I97.5Very high92.9Very high0 Ų063.7 Ų63.70%031%0.313CS..EExtended strand (participates in β ladder)trans-150.7131.5-176.8-178.3179.1000109.5L350 L353 L354 S359 Q360 F372 K373 L374 V380L350-I363 HydrophobicContact CB-CD1 4.45Å; L350-I363 HydrophobicContact CD2-CD1 3.58Å; L353-I363 HydrophobicContact CB-CG2 3.54Å; L353-I363 HydrophobicContact CD1-CG2 4.24Å; L353-I363 WeakPolarHBondContact O-CG2 3.32Å; L354-I363 HydrophobicContact CD1-CD1 4.02Å; L354-I363 HydrophobicContact CD1-CG1 4.43Å; L354-I363 HydrophobicContact CD2-CD1 4.27Å; L354-I363 HydrophobicContact CD2-CG1 3.83Å; L354-I363 HydrophobicContact CG-CD1 3.83Å; L354-I363 HydrophobicContact CG-CG1 3.95Å; S359-I363 PolarHBondContact O-N 3.13Å; S359-I363 VanDerWaalsContact O-N 3.11Å; Q360-I363 WeakPolarHBondContact CA-O 3.3Å; I363-F372 HydrophobicContact CD1-CD2 3.88Å; I363-F372 HydrophobicContact CD1-CE2 4.19Å; I363-F372 HydrophobicContact CG1-CD2 4.16Å; I363-K373 VanDerWaalsContact CA-O 3.32Å; I363-K373 WeakPolarHBondContact CA-O 3.13Å; I363-L374 HydrophobicContact CB-CD2 4.25Å; I363-L374 HydrophobicContact CD1-CD2 3.49Å; I363-L374 VanDerWaalsContact CD1-CD2 3.49Å; I363-L374 HydrophobicContact CG1-CD2 3.74Å; I363-V380 HydrophobicContact CB-CG2 4.11Å; I363-V380 HydrophobicContact CG2-CG2 4.31Å
364C95.9Very high93.1Very high35 Ų3562.7 Ų62.724%0.23631%0.308CS..EExtended strand (participates in β ladder)trans-141.6157.3-178.870.20000113.1L354 F372 K373 N375L354-C364 VanDerWaalsContact CD2-C 3.43Å; C364-F372 CarbonylContact O-C 3.5Å; C364-F372 WeakPolarHBondContact O-CA 3.31Å; C364-F372 WeakPolarHBondContact O-CB 3.46Å; C364-K373 PolarHBondContact N-O 3.2Å; C364-K373 PolarHBondContact O-N 2.83Å; C364-N375 PolarHBondContact SG-ND2 2.96Å
365W95.7Very high93.2Very high85 Ų8565.6 Ų65.632%0.32232%0.323SS..EExtended strand (participates in β ladder)trans-69.4139.2165.3-61.5107000110.3L354 G367 L370 F372 F423L354-W365 HydrophobicContact CB-CZ2 3.71Å; L354-W365 HydrophobicContact CD1-CD2 4.42Å; L354-W365 HydrophobicContact CD1-CE3 4.42Å; L354-W365 HydrophobicContact CD1-CH2 3.81Å; L354-W365 HydrophobicContact CD1-CZ2 3.79Å; L354-W365 HydrophobicContact CD1-CZ3 4.13Å; L354-W365 HydrophobicContact CD2-CD2 3.97Å; L354-W365 HydrophobicContact CD2-CG 4.08Å; L354-W365 HydrophobicContact CD2-CZ2 4.45Å; L354-W365 HydrophobicContact CG-CZ2 4.2Å; L354-W365 PolarHBondContact O-NE1 3.05Å; W365-G367 VanDerWaalsContact C-N 3.27Å; W365-G367 PolarHBondContact O-N 3.11Å; W365-L370 HydrophobicContact CH2-CD2 3.72Å; W365-L370 HydrophobicContact CZ3-CD2 3.82Å; W365-F372 HydrophobicContact CE3-CB 4.02Å; W365-F372 HydrophobicContact CZ3-CB 4.24Å; W365-F372 HydrophobicContact CZ3-CD1 4.39Å; W365-F423 HydrophobicContact CH2-CD2 4.03Å; W365-F423 AromaticContact CH2-CE2 3.98Å; W365-F423 HydrophobicContact CH2-CE2 3.98Å; W365-F423 HydrophobicContact CZ3-CD2 4.13Å; W365-F423 HydrophobicContact CZ3-CE2 4.32Å
366T93.8Very high93.5Very high47 Ų4765.4 Ų65.429%0.28832%0.322SS..  trans-83.2-2177.869.20000113.5R368 E371 K373 V420T366-R368 PolarHBondContact O-N 3.03Å; T366-R368 PolarHBondContact OG1-N 3.35Å; T366-E371 HydrophobicContact CG2-CG 4.1Å; T366-E371 PolarHBondContact N-O 3.06Å; T366-E371 WeakPolarHBondContact OG1-CB 3.34Å; T366-E371 WeakPolarHBondContact OG1-CG 3.13Å; T366-E371 PolarHBondContact OG1-O 3.34Å; T366-E371 PolarHBondContact OG1-OE1 3.38Å; T366-K373 HydrophobicContact CG2-CB 4.04Å; T366-V420 HydrophobicContact CG2-CG1 4.18Å
367G89.8Confident93.8Very high61 Ų6162.7 Ų62.763%0.62931%0.308SS*.SBendtrans78.7-12.5-17000000114.4W365W365-G367 VanDerWaalsContact C-N 3.27Å; W365-G367 PolarHBondContact O-N 3.11Å
368R88.3Confident94.3Very high125 Ų12559.8 Ų59.847%0.47230%0.297SS..SBendtrans-84.8147172.4-57.4-169.6-71.8-143.5-2.9109.9T366 L370 E371 E417T366-R368 PolarHBondContact O-N 3.03Å; T366-R368 PolarHBondContact OG1-N 3.35Å; R368-L370 PolarHBondContact O-N 3.25Å; R368-E371 HydrophobicContact CB-CB 4.09Å; R368-E371 IonicContact CZ-OE1 2.94Å; R368-E371 IonicContact NE-OE1 3.45Å; R368-E371 PolarHBondContact NE-OE1 3.42Å; R368-E371 IonicContact NE-OE2 3.17Å; R368-E371 PolarHBondContact NE-OE2 2.89Å; R368-E371 IonicContact NH2-OE1 3.85Å; R368-E371 PolarHBondContact NH2-OE1 3.18Å; R368-E371 IonicContact NH2-OE2 2.76Å; R368-E371 WeakPolarHBondContact O-CB 3.38Å; R368-E371 PolarHBondContact O-N 3.38Å; R368-E417 IonicContact NH2-OE1 3.36Å
369K86.3Confident94.6Very high140 Ų14054.4 Ų54.461%0.60927%0.272SS*.THydrogen-bonded Turntrans-44.3108.7-170.6-178.5176.3-179172.60112.3E371 R422 E426K369-E371 PolarHBondContact O-N 3.33Å; K369-E371 VanDerWaalsContact O-N 3.11Å; K369-R422 VanDerWaalsContact O-CD 3.3Å; K369-R422 WeakPolarHBondContact O-CD 3.25Å; K369-R422 WeakPolarHBondContact O-CG 3.41Å; K369-E426 IonicContact NZ-OE1 2.73Å; K369-E426 PolarHBondContact NZ-OE1 3.11Å
370L90.1Very high94.9Very high23 Ų2354.1 Ų54.112%0.1227%0.27CS..THydrogen-bonded Turntrans51.626.2179.7-80.7175.2000115.8W365 R368 R422 F423 Y425 P427W365-L370 HydrophobicContact CH2-CD2 3.72Å; W365-L370 HydrophobicContact CZ3-CD2 3.82Å; R368-L370 PolarHBondContact O-N 3.25Å; L370-R422 WeakPolarHBondContact O-CA 3.22Å; L370-R422 WeakPolarHBondContact O-CG 3.33Å; L370-F423 HydrophobicContact CB-CB 4.21Å; L370-F423 HydrophobicContact CD1-CB 4.27Å; L370-F423 PolarHBondContact O-N 2.93Å; L370-Y425 WeakPolarHBondContact CD1-O 3.3Å; L370-P427 HydrophobicContact CD1-CB 4.4Å; L370-P427 HydrophobicContact CD1-CG 3.78Å; L370-P427 HydrophobicContact CD2-CB 4.31Å; L370-P427 HydrophobicContact CD2-CG 4.04Å; L370-P427 HydrophobicContact CG-CG 3.95Å
371E95.4Very high95.2Very high0 Ų049.8 Ų49.80%025%0.25CC..EExtended strand (participates in β ladder)trans-98.8129179.8-172.5-173.2106.500110.4T366 R368 K369 V414 V420 Y421 R422T366-E371 HydrophobicContact CG2-CG 4.1Å; T366-E371 PolarHBondContact N-O 3.06Å; T366-E371 WeakPolarHBondContact OG1-CB 3.34Å; T366-E371 WeakPolarHBondContact OG1-CG 3.13Å; T366-E371 PolarHBondContact OG1-O 3.34Å; T366-E371 PolarHBondContact OG1-OE1 3.38Å; R368-E371 HydrophobicContact CB-CB 4.09Å; R368-E371 IonicContact CZ-OE1 2.94Å; R368-E371 IonicContact NE-OE1 3.45Å; R368-E371 PolarHBondContact NE-OE1 3.42Å; R368-E371 IonicContact NE-OE2 3.17Å; R368-E371 PolarHBondContact NE-OE2 2.89Å; R368-E371 IonicContact NH2-OE1 3.85Å; R368-E371 PolarHBondContact NH2-OE1 3.18Å; R368-E371 IonicContact NH2-OE2 2.76Å; R368-E371 WeakPolarHBondContact O-CB 3.38Å; R368-E371 PolarHBondContact O-N 3.38Å; K369-E371 PolarHBondContact O-N 3.33Å; K369-E371 VanDerWaalsContact O-N 3.11Å; E371-V414 HydrophobicContact CG-CG2 3.94Å; E371-V420 HydrophobicContact CG-CG1 3.46Å; E371-V420 VanDerWaalsContact CG-CG1 3.46Å; E371-Y421 CarbonylContact C-O 3.43Å; E371-Y421 VanDerWaalsContact CA-O 3.32Å; E371-Y421 WeakPolarHBondContact CA-O 3.29Å; E371-Y421 WeakPolarHBondContact CG-O 3.39Å; E371-R422 HydrophobicContact CB-CB 4.3Å; E371-R422 HydrophobicContact CB-CG 4.03Å; E371-R422 HydrophobicContact CG-CB 4.39Å; E371-R422 IonicContact OE2-CZ 2.7Å; E371-R422 IonicContact OE2-NE 3.45Å; E371-R422 PolarHBondContact OE2-NE 2.98Å; E371-R422 IonicContact OE2-NH2 2.65Å; E371-R422 PolarHBondContact OE2-NH2 2.84Å
372F96.8Very high95.3Very high0 Ų049.1 Ų49.10%024%0.242CC..EExtended strand (participates in β ladder)trans-127.3156.3-178.567-87.7000111.5L354 I363 C364 W365 L374 M411 V420 Y421 F423L354-F372 HydrophobicContact CD1-CB 3.64Å; L354-F372 HydrophobicContact CD1-CD1 4.1Å; L354-F372 HydrophobicContact CD1-CD2 4.11Å; L354-F372 HydrophobicContact CD1-CG 3.71Å; L354-F372 HydrophobicContact CD2-CB 3.92Å; L354-F372 HydrophobicContact CG-CB 4.43Å; I363-F372 HydrophobicContact CD1-CD2 3.88Å; I363-F372 HydrophobicContact CD1-CE2 4.19Å; I363-F372 HydrophobicContact CG1-CD2 4.16Å; C364-F372 CarbonylContact O-C 3.5Å; C364-F372 WeakPolarHBondContact O-CA 3.31Å; C364-F372 WeakPolarHBondContact O-CB 3.46Å; W365-F372 HydrophobicContact CE3-CB 4.02Å; W365-F372 HydrophobicContact CZ3-CB 4.24Å; W365-F372 HydrophobicContact CZ3-CD1 4.39Å; F372-L374 HydrophobicContact CD2-CD2 4.29Å; F372-L374 HydrophobicContact CE2-CD2 4.13Å; F372-M411 HydrophobicContact CE1-CE 4.36Å; F372-M411 HydrophobicContact CE1-SD 4.48Å; F372-M411 HydrophobicContact CZ-CE 3.98Å; F372-M411 HydrophobicContact CZ-SD 4.08Å; F372-V420 CarbonylContact O-C 3.59Å; F372-V420 WeakPolarHBondContact O-CA 3.46Å; F372-Y421 HydrophobicContact CE2-CD2 4.18Å; F372-Y421 HydrophobicContact CE2-CG 4.29Å; F372-Y421 VanDerWaalsContact CZ-CB 3.46Å; F372-Y421 HydrophobicContact CZ-CG 4.19Å; F372-Y421 PolarHBondContact N-O 3Å; F372-Y421 PolarHBondContact O-N 3.42Å; F372-Y421 VanDerWaalsContact O-O 3.11Å; F372-F423 AromaticContact CD1-CD2 3.79Å; F372-F423 HydrophobicContact CD1-CD2 3.79Å; F372-F423 AromaticContact CD1-CE2 3.57Å; F372-F423 HydrophobicContact CD1-CE2 3.57Å; F372-F423 AromaticContact CE1-CD2 3.63Å; F372-F423 HydrophobicContact CE1-CD2 3.63Å; F372-F423 AromaticContact CE1-CE2 3.32Å; F372-F423 HydrophobicContact CE1-CE2 3.32Å; F372-F423 HydrophobicContact CE1-CG 4.4Å; F372-F423 AromaticContact CE1-CZ 3.88Å; F372-F423 HydrophobicContact CE1-CZ 3.88Å; F372-F423 HydrophobicContact CZ-CE2 4.2Å; F372-F423 HydrophobicContact CZ-CZ 4.39Å
373K97.3Very high95.3Very high76 Ų7650.7 Ų50.733%0.3325%0.25SC..EExtended strand (participates in β ladder)trans-124.7133.1178.2-174.9171.5-178.5173.10109.8I363 C364 T366 N375 V420I363-K373 VanDerWaalsContact CA-O 3.32Å; I363-K373 WeakPolarHBondContact CA-O 3.13Å; C364-K373 PolarHBondContact N-O 3.2Å; C364-K373 PolarHBondContact O-N 2.83Å; T366-K373 HydrophobicContact CG2-CB 4.04Å; K373-N375 PolarHBondContact O-N 3.33Å; K373-V420 HydrophobicContact CB-CG2 4.01Å; K373-V420 HydrophobicContact CD-CG2 3.92Å; K373-V420 HydrophobicContact CG-CG2 3.82Å
374L97.9Very high95.2Very high1 Ų151.5 Ų51.51%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-79.9114.2161.9-41.5174.4000107.1L350 I363 F372 P377 V380 Y395 L402 Y419 Y421L350-L374 HydrophobicContact CD2-CD2 4.15Å; I363-L374 HydrophobicContact CB-CD2 4.25Å; I363-L374 HydrophobicContact CD1-CD2 3.49Å; I363-L374 VanDerWaalsContact CD1-CD2 3.49Å; I363-L374 HydrophobicContact CG1-CD2 3.74Å; F372-L374 HydrophobicContact CD2-CD2 4.29Å; F372-L374 HydrophobicContact CE2-CD2 4.13Å; L374-P377 HydrophobicContact CB-CB 4.16Å; L374-P377 HydrophobicContact CD1-CB 4.27Å; L374-V380 HydrophobicContact CD2-CG1 4.24Å; L374-V380 HydrophobicContact CD2-CG2 4.45Å; L374-Y395 HydrophobicContact CD1-CD2 4.26Å; L374-Y395 HydrophobicContact CD1-CE2 3.76Å; L374-L402 HydrophobicContact CD1-CD1 4.49Å; L374-Y419 PolarHBondContact N-O 2.95Å; L374-Y419 VanDerWaalsContact O-CB 3.29Å; L374-Y419 WeakPolarHBondContact O-CB 3.25Å; L374-Y421 HydrophobicContact CD1-CE2 4.21Å; L374-Y421 HydrophobicContact CG-CE2 4.48Å
375N97.2Very high95.2Very high71 Ų7150 Ų5038%0.3824%0.243SC..SBendtrans-82.6-44.6176.7-65.7-34.4000110Q360 H361 L362 C364 K373Q360-N375 PolarHBondContact O-ND2 3.25Å; H361-N375 VanDerWaalsContact O-CB 3.3Å; H361-N375 WeakPolarHBondContact O-CB 3.26Å; L362-N375 PolarHBondContact O-N 3.42Å; C364-N375 PolarHBondContact SG-ND2 2.96Å; K373-N375 PolarHBondContact O-N 3.33Å
376D97.4Very high95.1Very high68 Ų6851.1 Ų51.136%0.36425%0.254SS..SBendtrans-113.597163.8-166.2-35.6000110.1L362 E378 E379 V380L362-D376 HydrophobicContact CD2-CB 4.05Å; L362-D376 PolarHBondContact O-N 3.03Å; D376-E378 VanDerWaalsContact C-N 3.34Å; D376-E378 PolarHBondContact O-N 2.71Å; D376-E378 PolarHBondContact OD1-N 2.89Å; D376-E378 VanDerWaalsContact OD1-N 3.08Å; D376-E379 HydrophobicContact CB-CB 3.95Å; D376-E379 VanDerWaalsContact CG-CB 3.43Å; D376-E379 WeakPolarHBondContact OD1-CB 3.44Å; D376-E379 PolarHBondContact OD1-N 3.49Å; D376-V380 VanDerWaalsContact O-CG2 3.29Å; D376-V380 WeakPolarHBondContact O-CG2 3.43Å; D376-V380 PolarHBondContact O-N 2.72Å
377P97.7Very high95Very high14 Ų1451.1 Ų51.19%0.09125%0.251CS..Hα-helixtrans-72.1-23.9-177.329.4-35.3000113.9L374 A381 Y395 Y419L374-P377 HydrophobicContact CB-CB 4.16Å; L374-P377 HydrophobicContact CD1-CB 4.27Å; P377-A381 WeakPolarHBondContact O-CB 3.19Å; P377-A381 PolarHBondContact O-N 2.87Å; P377-Y395 HydrophobicContact CB-CD2 3.52Å; P377-Y395 HydrophobicContact CB-CE2 3.92Å; P377-Y395 HydrophobicContact CB-CG 3.86Å; P377-Y419 HydrophobicContact CB-CD1 3.64Å; P377-Y419 HydrophobicContact CB-CE1 3.72Å; P377-Y419 HydrophobicContact CB-CG 4.35Å; P377-Y419 HydrophobicContact CG-CD1 3.82Å; P377-Y419 HydrophobicContact CG-CE1 3.56Å; P377-Y419 HydrophobicContact CG-CE2 4.35Å; P377-Y419 HydrophobicContact CG-CG 4.31Å
378E97.9Very high95.1Very high100 Ų10051.2 Ų51.247%0.46723%0.234SC..Hα-helixtrans-84.5-37.8180-62.8-63.1170.600110.7D376 A381 R382 Y395D376-E378 VanDerWaalsContact C-N 3.34Å; D376-E378 PolarHBondContact O-N 2.71Å; D376-E378 PolarHBondContact OD1-N 2.89Å; D376-E378 VanDerWaalsContact OD1-N 3.08Å; E378-A381 CarbonylContact O-C 3.35Å; E378-A381 WeakPolarHBondContact O-CA 3.22Å; E378-A381 WeakPolarHBondContact O-CB 3.37Å; E378-A381 PolarHBondContact O-N 2.78Å; E378-A381 VanDerWaalsContact O-N 3.11Å; E378-R382 PolarHBondContact O-N 3.11Å; E378-Y395 VanDerWaalsContact CD-CB 3.42Å; E378-Y395 WeakPolarHBondContact OE1-CB 3.39Å; E378-Y395 VanDerWaalsContact OE2-CB 3.29Å; E378-Y395 WeakPolarHBondContact OE2-CB 3.27Å; E378-Y395 PolarHBondContact OE2-N 3.08Å
379E97.5Very high95.3Very high49 Ų4952.1 Ų52.123%0.22925%0.248CC..Hα-helixtrans-67.9-39.3176-178.156.7-162.300111.8L362 D376 A381 R382 L383L362-E379 HydrophobicContact CD1-CG 3.89Å; L362-E379 HydrophobicContact CD2-CB 3.97Å; L362-E379 HydrophobicContact CD2-CG 3.48Å; L362-E379 VanDerWaalsContact CD2-CG 3.48Å; L362-E379 HydrophobicContact CG-CG 4.3Å; D376-E379 HydrophobicContact CB-CB 3.95Å; D376-E379 VanDerWaalsContact CG-CB 3.43Å; D376-E379 WeakPolarHBondContact OD1-CB 3.44Å; D376-E379 PolarHBondContact OD1-N 3.49Å; E379-A381 PolarHBondContact O-N 3.36Å; E379-R382 VanDerWaalsContact CD-NE 3.28Å; E379-R382 WeakPolarHBondContact O-CB 3.38Å; E379-R382 PolarHBondContact O-N 2.85Å; E379-R382 IonicContact OE1-CZ 3.27Å; E379-R382 VanDerWaalsContact OE1-CZ 3.27Å; E379-R382 IonicContact OE1-NE 3.09Å; E379-R382 PolarHBondContact OE1-NE 3.24Å; E379-R382 VanDerWaalsContact OE1-NE 3.09Å; E379-R382 IonicContact OE1-NH2 3.99Å; E379-R382 PolarHBondContact OE1-NH2 3.49Å; E379-R382 WeakPolarHBondContact OE2-CD 3.27Å; E379-R382 IonicContact OE2-CZ 3.67Å; E379-R382 IonicContact OE2-NE 2.71Å; E379-R382 PolarHBondContact OE2-NE 3.44Å; E379-R382 IonicContact OE2-NH2 3.81Å; E379-L383 WeakPolarHBondContact O-CG 3.48Å; E379-L383 PolarHBondContact O-N 3.35Å
380V97.7Very high95.6Very high0 Ų050.3 Ų50.30%024%0.237CC..Hα-helixtrans-58.8-37.9168.7172.60000111.3L350 L353 L362 I363 L374 D376 W384 L398L350-V380 HydrophobicContact CD2-CG1 3.83Å; L353-V380 HydrophobicContact CD1-CG1 4.22Å; L362-V380 HydrophobicContact CB-CG2 3.96Å; I363-V380 HydrophobicContact CB-CG2 4.11Å; I363-V380 HydrophobicContact CG2-CG2 4.31Å; L374-V380 HydrophobicContact CD2-CG1 4.24Å; L374-V380 HydrophobicContact CD2-CG2 4.45Å; D376-V380 VanDerWaalsContact O-CG2 3.29Å; D376-V380 WeakPolarHBondContact O-CG2 3.43Å; D376-V380 PolarHBondContact O-N 2.72Å; V380-W384 WeakPolarHBondContact O-CB 3.33Å; V380-W384 PolarHBondContact O-N 2.72Å; V380-L398 HydrophobicContact CG1-CD1 4.24Å
381A98Very high95.8Very high0 Ų055 Ų550%027%0.27CS..Hα-helixtrans-72.8-33.2176.200000113.4P377 E378 E379 W384 G385 M393 L398P377-A381 WeakPolarHBondContact O-CB 3.19Å; P377-A381 PolarHBondContact O-N 2.87Å; E378-A381 CarbonylContact O-C 3.35Å; E378-A381 WeakPolarHBondContact O-CA 3.22Å; E378-A381 WeakPolarHBondContact O-CB 3.37Å; E378-A381 PolarHBondContact O-N 2.78Å; E378-A381 VanDerWaalsContact O-N 3.11Å; E379-A381 PolarHBondContact O-N 3.36Å; A381-W384 PolarHBondContact O-N 2.93Å; A381-G385 PolarHBondContact O-N 3.18Å; A381-M393 HydrophobicContact CB-CG 4.48Å; A381-M393 WeakPolarHBondContact O-CG 3.48Å; A381-L398 HydrophobicContact CB-CB 4.25Å; A381-L398 HydrophobicContact CB-CD1 3.91Å
382R97.3Very high95.8Very high124 Ų12458.5 Ų58.547%0.46830%0.298SS..Hα-helixtrans-64.1-46.8172.7-169-167.971.685.73.9110.9E378 E379 G385 I386E378-R382 PolarHBondContact O-N 3.11Å; E379-R382 VanDerWaalsContact CD-NE 3.28Å; E379-R382 WeakPolarHBondContact O-CB 3.38Å; E379-R382 PolarHBondContact O-N 2.85Å; E379-R382 IonicContact OE1-CZ 3.27Å; E379-R382 VanDerWaalsContact OE1-CZ 3.27Å; E379-R382 IonicContact OE1-NE 3.09Å; E379-R382 PolarHBondContact OE1-NE 3.24Å; E379-R382 VanDerWaalsContact OE1-NE 3.09Å; E379-R382 IonicContact OE1-NH2 3.99Å; E379-R382 PolarHBondContact OE1-NH2 3.49Å; E379-R382 WeakPolarHBondContact OE2-CD 3.27Å; E379-R382 IonicContact OE2-CZ 3.67Å; E379-R382 IonicContact OE2-NE 2.71Å; E379-R382 PolarHBondContact OE2-NE 3.44Å; E379-R382 IonicContact OE2-NH2 3.81Å; R382-G385 WeakPolarHBondContact O-CA 3.4Å; R382-G385 PolarHBondContact O-N 3.44Å; R382-I386 VanDerWaalsContact NH1-CD1 3.25Å; R382-I386 PolarHBondContact O-N 3.38Å
383L95.9Very high95.8Very high45 Ų4560.1 Ų60.124%0.23631%0.306CS..Hα-helixtrans-62.4-43.6175.9-68174.3000111.5F349 L353 L362 E379 G385 I386 Q387F349-L383 HydrophobicContact CZ-CB 3.84Å; L353-L383 HydrophobicContact CD2-CD1 4.49Å; L362-L383 HydrophobicContact CD1-CD1 3.56Å; E379-L383 WeakPolarHBondContact O-CG 3.48Å; E379-L383 PolarHBondContact O-N 3.35Å; L383-G385 VanDerWaalsContact C-N 3.31Å; L383-G385 PolarHBondContact O-N 3.19Å; L383-I386 PolarHBondContact O-N 3.02Å; L383-Q387 WeakPolarHBondContact O-CB 3.49Å; L383-Q387 PolarHBondContact O-N 3.02Å
384W95.7Very high95.8Very high18 Ų1859.4 Ų59.47%0.06831%0.306CS..Hα-helixtrans-62-38.3172.9179.2-125.7000112.6L344 L346 F349 V380 A381 Q387 K388 L398L344-W384 HydrophobicContact CD2-CZ3 4.41Å; L344-W384 HydrophobicContact CG-CZ3 4.49Å; L344-W384 WeakPolarHBondContact O-CH2 3.35Å; L346-W384 HydrophobicContact CB-CD2 4.49Å; L346-W384 HydrophobicContact CB-CH2 4.02Å; L346-W384 HydrophobicContact CB-CZ2 3.65Å; L346-W384 HydrophobicContact CD1-CD2 3.72Å; L346-W384 HydrophobicContact CD1-CE3 4.24Å; L346-W384 HydrophobicContact CD1-CG 3.82Å; L346-W384 HydrophobicContact CD1-CZ2 4.41Å; L346-W384 VanDerWaalsContact N-CH2 3.29Å; F349-W384 HydrophobicContact CB-CE3 3.84Å; F349-W384 HydrophobicContact CB-CZ3 3.71Å; F349-W384 HydrophobicContact CD1-CB 4.2Å; F349-W384 HydrophobicContact CD1-CD2 4.22Å; F349-W384 AromaticContact CD1-CE3 3.6Å; F349-W384 HydrophobicContact CD1-CE3 3.6Å; F349-W384 HydrophobicContact CD1-CG 4.49Å; F349-W384 HydrophobicContact CD1-CZ3 4.36Å; F349-W384 HydrophobicContact CD2-CE3 4.05Å; F349-W384 HydrophobicContact CD2-CZ3 4.47Å; F349-W384 HydrophobicContact CE1-CB 3.65Å; F349-W384 HydrophobicContact CE1-CE3 4.11Å; F349-W384 HydrophobicContact CE1-CG 4.39Å; F349-W384 AromaticContact CG-CE3 3.55Å; F349-W384 HydrophobicContact CG-CE3 3.55Å; F349-W384 AromaticContact CG-CZ3 3.95Å; F349-W384 HydrophobicContact CG-CZ3 3.95Å; F349-W384 HydrophobicContact CZ-CB 4.1Å; V380-W384 WeakPolarHBondContact O-CB 3.33Å; V380-W384 PolarHBondContact O-N 2.72Å; A381-W384 PolarHBondContact O-N 2.93Å; W384-Q387 HydrophobicContact CE3-CB 4.32Å; W384-Q387 HydrophobicContact CE3-CG 4.36Å; W384-Q387 HydrophobicContact CZ3-CG 4.38Å; W384-Q387 PolarHBondContact O-N 3.28Å; W384-K388 HydrophobicContact CD2-CG 4.08Å; W384-K388 HydrophobicContact CE3-CG 4.01Å; W384-K388 HydrophobicContact CH2-CD 3.53Å; W384-K388 HydrophobicContact CH2-CG 3.46Å; W384-K388 VanDerWaalsContact CH2-CG 3.46Å; W384-K388 HydrophobicContact CZ2-CD 4Å; W384-K388 HydrophobicContact CZ2-CG 3.52Å; W384-K388 HydrophobicContact CZ3-CD 3.92Å; W384-K388 HydrophobicContact CZ3-CG 3.71Å; W384-K388 PolarHBondContact O-N 2.95Å; W384-L398 HydrophobicContact CB-CD1 3.97Å; W384-L398 HydrophobicContact CG-CD1 4.17Å
385G95.7Very high95.8Very high2 Ų261.1 Ų61.12%0.02131%0.313CS..Hα-helixtrans-58.4-48.3173.200000112.4A381 R382 L383 K388 N389 R390 M393A381-G385 PolarHBondContact O-N 3.18Å; R382-G385 WeakPolarHBondContact O-CA 3.4Å; R382-G385 PolarHBondContact O-N 3.44Å; L383-G385 VanDerWaalsContact C-N 3.31Å; L383-G385 PolarHBondContact O-N 3.19Å; G385-K388 PolarHBondContact O-N 3.06Å; G385-N389 CarbonylContact O-C 3.58Å; G385-N389 WeakPolarHBondContact O-CA 3.49Å; G385-N389 PolarHBondContact O-N 3.31Å; G385-R390 VanDerWaalsContact CA-O 3.32Å; G385-R390 WeakPolarHBondContact CA-O 3.43Å; G385-R390 PolarHBondContact O-N 2.91Å; G385-M393 VanDerWaalsContact CA-CB 3.43Å
386I93.7Very high95.8Very high110 Ų11062.3 Ų62.356%0.56432%0.319SS*.Hα-helixtrans-60.9-47.4174.3-69.8168.6000110.5R382 L383 K388 N389R382-I386 VanDerWaalsContact NH1-CD1 3.25Å; R382-I386 PolarHBondContact O-N 3.38Å; L383-I386 PolarHBondContact O-N 3.02Å; I386-K388 PolarHBondContact O-N 3.17Å; I386-N389 PolarHBondContact O-N 3Å
387Q91.4Very high95.8Very high47 Ų4764 Ų6422%0.2232%0.323CS..Hα-helixtrans-63.9-21.5-177.1-174.951.875.200114.3H339 L344 F349 L383 W384H339-Q387 PolarHBondContact CD2-OE1 2.78Å; H339-Q387 PolarHBondContact O-NE2 3.41Å; L344-Q387 HydrophobicContact CD2-CG 3.74Å; F349-Q387 HydrophobicContact CD2-CB 4.31Å; F349-Q387 HydrophobicContact CD2-CG 3.91Å; F349-Q387 HydrophobicContact CE2-CB 4.03Å; F349-Q387 HydrophobicContact CE2-CG 4.1Å; L383-Q387 WeakPolarHBondContact O-CB 3.49Å; L383-Q387 PolarHBondContact O-N 3.02Å; W384-Q387 HydrophobicContact CE3-CB 4.32Å; W384-Q387 HydrophobicContact CE3-CG 4.36Å; W384-Q387 HydrophobicContact CZ3-CG 4.38Å; W384-Q387 PolarHBondContact O-N 3.28Å
388K91.3Very high95.8Very high63 Ų6363.3 Ų63.327%0.27432%0.319SS..THydrogen-bonded Turntrans-110.810.4172.5-61.4-66.8-74.7-164.80113.7G342 L344 W384 G385 I386 R390G342-K388 PolarHBondContact O-NZ 3.07Å; L344-K388 PolarHBondContact O-NZ 3.33Å; W384-K388 HydrophobicContact CD2-CG 4.08Å; W384-K388 HydrophobicContact CE3-CG 4.01Å; W384-K388 HydrophobicContact CH2-CD 3.53Å; W384-K388 HydrophobicContact CH2-CG 3.46Å; W384-K388 VanDerWaalsContact CH2-CG 3.46Å; W384-K388 HydrophobicContact CZ2-CD 4Å; W384-K388 HydrophobicContact CZ2-CG 3.52Å; W384-K388 HydrophobicContact CZ3-CD 3.92Å; W384-K388 HydrophobicContact CZ3-CG 3.71Å; W384-K388 PolarHBondContact O-N 2.95Å; G385-K388 PolarHBondContact O-N 3.06Å; I386-K388 PolarHBondContact O-N 3.17Å; K388-R390 HydrophobicContact CB-CG 4.41Å; K388-R390 PolarHBondContact O-N 3.01Å
389N92.2Very high95.8Very high143 Ų14359.1 Ų59.177%0.76530%0.301SS*.THydrogen-bonded Turntrans48.440.3-172.4-164.125.2000113.7G385 I386 P391G385-N389 CarbonylContact O-C 3.58Å; G385-N389 WeakPolarHBondContact O-CA 3.49Å; G385-N389 PolarHBondContact O-N 3.31Å; I386-N389 PolarHBondContact O-N 3Å; N389-P391 WeakPolarHBondContact O-CD 3.46Å
390R93.8Very high95.7Very high102 Ų10261 Ų6139%0.38531%0.305SS..  trans-114.780.9176.8-69.7-178.3-177.2-155.70.1108.4G385 K388 A392 M393G385-R390 VanDerWaalsContact CA-O 3.32Å; G385-R390 WeakPolarHBondContact CA-O 3.43Å; G385-R390 PolarHBondContact O-N 2.91Å; K388-R390 HydrophobicContact CB-CG 4.41Å; K388-R390 PolarHBondContact O-N 3.01Å; R390-A392 PolarHBondContact O-N 3.19Å; R390-A392 VanDerWaalsContact O-N 3.16Å; R390-M393 HydrophobicContact CB-CE 4.26Å; R390-M393 VanDerWaalsContact O-CB 3.24Å; R390-M393 WeakPolarHBondContact O-CB 3.29Å; R390-M393 PolarHBondContact O-N 3.13Å
391P93.2Very high95.5Very high123 Ų12362.9 Ų62.980%0.79932%0.319SS*.THydrogen-bonded Turntrans-65.1-19.7-17425.8-35.5000114N389 M393N389-P391 WeakPolarHBondContact O-CD 3.46Å; P391-M393 PolarHBondContact O-N 3.1Å
392A95.7Very high95.5Very high72 Ų7262.9 Ų62.960%0.59532%0.319SS*.THydrogen-bonded Turntrans-84.920.2172.100000113.5R390 K397R390-A392 PolarHBondContact O-N 3.19Å; R390-A392 VanDerWaalsContact O-N 3.16Å; A392-K397 WeakPolarHBondContact O-CD 3.48Å; A392-K397 PolarHBondContact O-NZ 3.47Å
393M97Very high95.4Very high34 Ų3461.7 Ų61.717%0.16731%0.314CS..  trans-72.7142.4170.2-168.662.968.900110.2A381 G385 R390 P391 K397A381-M393 HydrophobicContact CB-CG 4.48Å; A381-M393 WeakPolarHBondContact O-CG 3.48Å; G385-M393 VanDerWaalsContact CA-CB 3.43Å; R390-M393 HydrophobicContact CB-CE 4.26Å; R390-M393 VanDerWaalsContact O-CB 3.24Å; R390-M393 WeakPolarHBondContact O-CB 3.29Å; R390-M393 PolarHBondContact O-N 3.13Å; P391-M393 PolarHBondContact O-N 3.1Å; M393-K397 HydrophobicContact SD-CB 3.82Å
394N97.7Very high95.3Very high62 Ų6263.4 Ų63.433%0.33232%0.319SS..  trans-150.3171.4175.763.3-2.1000108.9D396 K397 L398N394-D396 VanDerWaalsContact C-N 3.29Å; N394-D396 PolarHBondContact O-N 2.72Å; N394-K397 PolarHBondContact O-N 2.79Å; N394-K397 WeakPolarHBondContact OD1-CB 3.46Å; N394-K397 WeakPolarHBondContact OD1-CD 3.45Å; N394-K397 VanDerWaalsContact OD1-CG 3.23Å; N394-K397 WeakPolarHBondContact OD1-CG 3.2Å; N394-K397 PolarHBondContact OD1-N 2.94Å; N394-L398 PolarHBondContact O-N 3.48Å; N394-L398 VanDerWaalsContact O-N 3.1Å
395Y98.2Very high95.3Very high36 Ų3663.8 Ų63.814%0.14132%0.32CS..Hα-helixtrans-60.5-35.8-176.6173.8-104.3000113.3L374 P377 E378 K397 L398 S399 Y419 Y421L374-Y395 HydrophobicContact CD1-CD2 4.26Å; L374-Y395 HydrophobicContact CD1-CE2 3.76Å; P377-Y395 HydrophobicContact CB-CD2 3.52Å; P377-Y395 HydrophobicContact CB-CE2 3.92Å; P377-Y395 HydrophobicContact CB-CG 3.86Å; E378-Y395 VanDerWaalsContact CD-CB 3.42Å; E378-Y395 WeakPolarHBondContact OE1-CB 3.39Å; E378-Y395 VanDerWaalsContact OE2-CB 3.29Å; E378-Y395 WeakPolarHBondContact OE2-CB 3.27Å; E378-Y395 PolarHBondContact OE2-N 3.08Å; Y395-K397 PolarHBondContact O-N 3.29Å; Y395-L398 PolarHBondContact O-N 2.87Å; Y395-S399 VanDerWaalsContact O-CB 3.28Å; Y395-S399 WeakPolarHBondContact O-CB 3.36Å; Y395-S399 PolarHBondContact O-N 2.76Å; Y395-Y419 HydrophobicContact CD1-CE1 4.07Å; Y395-Y419 HydrophobicContact CE1-CD1 4.07Å; Y395-Y419 AromaticContact CE1-CE1 3.55Å; Y395-Y419 HydrophobicContact CE1-CE1 3.55Å; Y395-Y419 AromaticContact CE2-CD1 3.99Å; Y395-Y419 HydrophobicContact CE2-CD1 3.99Å; Y395-Y419 HydrophobicContact CE2-CE1 4.21Å; Y395-Y419 AromaticContact CZ-CD1 3.61Å; Y395-Y419 AromaticContact CZ-CE1 3.61Å; Y395-Y421 PolarHBondContact OH-OH 2.96Å
396D97.2Very high95.2Very high97 Ų9767.3 Ų67.352%0.51933%0.333SS..Hα-helixtrans-56.7-50.6177.5174.658.3000111.9N394 L398 S399 R400 R403N394-D396 VanDerWaalsContact C-N 3.29Å; N394-D396 PolarHBondContact O-N 2.72Å; D396-L398 PolarHBondContact O-N 2.89Å; D396-S399 WeakPolarHBondContact O-CB 3.49Å; D396-S399 PolarHBondContact O-N 3.2Å; D396-S399 PolarHBondContact O-OG 3.12Å; D396-R400 PolarHBondContact O-N 3.48Å; D396-R400 VanDerWaalsContact O-N 3.11Å; D396-R403 IonicContact OD1-NH2 3.82Å
397K96.9Very high94.9Very high102 Ų10266.9 Ų66.944%0.44333%0.329SS..Hα-helixtrans-62.9-43177.5-68.6168.9-168.6177.20111.9A392 M393 N394 Y395 S399 R400A392-K397 WeakPolarHBondContact O-CD 3.48Å; A392-K397 PolarHBondContact O-NZ 3.47Å; M393-K397 HydrophobicContact SD-CB 3.82Å; N394-K397 PolarHBondContact O-N 2.79Å; N394-K397 WeakPolarHBondContact OD1-CB 3.46Å; N394-K397 WeakPolarHBondContact OD1-CD 3.45Å; N394-K397 VanDerWaalsContact OD1-CG 3.23Å; N394-K397 WeakPolarHBondContact OD1-CG 3.2Å; N394-K397 PolarHBondContact OD1-N 2.94Å; Y395-K397 PolarHBondContact O-N 3.29Å; K397-S399 VanDerWaalsContact C-N 3.33Å; K397-S399 PolarHBondContact O-N 3.46Å; K397-R400 WeakPolarHBondContact O-CB 3.32Å; K397-R400 PolarHBondContact O-N 3.43Å
398L97.7Very high94.7Very high0 Ų071.6 Ų71.60%035%0.349CS..Hα-helixtrans-61.5-41.7175.2-172.2153.2000111.3L346 V380 A381 W384 N394 Y395 D396 R400 S401 L402L346-L398 HydrophobicContact CD1-CD1 3.89Å; L346-L398 HydrophobicContact CD1-CD2 4.46Å; L346-L398 HydrophobicContact CD1-CG 3.95Å; L346-L398 HydrophobicContact CD2-CD2 4.21Å; L346-L398 HydrophobicContact CD2-CG 3.92Å; V380-L398 HydrophobicContact CG1-CD1 4.24Å; A381-L398 HydrophobicContact CB-CB 4.25Å; A381-L398 HydrophobicContact CB-CD1 3.91Å; W384-L398 HydrophobicContact CB-CD1 3.97Å; W384-L398 HydrophobicContact CG-CD1 4.17Å; N394-L398 PolarHBondContact O-N 3.48Å; N394-L398 VanDerWaalsContact O-N 3.1Å; Y395-L398 PolarHBondContact O-N 2.87Å; D396-L398 PolarHBondContact O-N 2.89Å; L398-R400 PolarHBondContact O-N 3.36Å; L398-S401 WeakPolarHBondContact O-CB 3.43Å; L398-S401 PolarHBondContact O-N 3.29Å; L398-S401 VanDerWaalsContact O-N 3.12Å; L398-L402 HydrophobicContact CD2-CD1 3.67Å; L398-L402 HydrophobicContact CD2-CG 3.94Å; L398-L402 PolarHBondContact O-N 3.1Å; L398-L402 VanDerWaalsContact O-N 3.07Å
399S97.3Very high94.6Very high13 Ų1369.4 Ų69.49%0.09134%0.344CS..Hα-helixtrans-64.5-25.4177.687.20000113Y395 D396 K397 L402 R403Y395-S399 VanDerWaalsContact O-CB 3.28Å; Y395-S399 WeakPolarHBondContact O-CB 3.36Å; Y395-S399 PolarHBondContact O-N 2.76Å; D396-S399 WeakPolarHBondContact O-CB 3.49Å; D396-S399 PolarHBondContact O-N 3.2Å; D396-S399 PolarHBondContact O-OG 3.12Å; K397-S399 VanDerWaalsContact C-N 3.33Å; K397-S399 PolarHBondContact O-N 3.46Å; S399-L402 PolarHBondContact O-N 3.28Å; S399-R403 WeakPolarHBondContact O-CG 3.46Å; S399-R403 PolarHBondContact O-N 3.37Å; S399-R403 PolarHBondContact O-NE 3.07Å; S399-R403 PolarHBondContact OG-NH2 3.29Å
400R96.5Very high94.5Very high87 Ų8763.9 Ų63.933%0.32832%0.315SS..Hα-helixtrans-69.6-37174.6-171.866.7-164.693-18.1111.3D396 K397 L398 R403 Y404D396-R400 PolarHBondContact O-N 3.48Å; D396-R400 VanDerWaalsContact O-N 3.11Å; K397-R400 WeakPolarHBondContact O-CB 3.32Å; K397-R400 PolarHBondContact O-N 3.43Å; L398-R400 PolarHBondContact O-N 3.36Å; R400-R403 PolarHBondContact O-N 3.21Å; R400-Y404 HydrophobicContact CG-CD2 4.46Å; R400-Y404 HydrophobicContact CG-CE2 3.86Å; R400-Y404 VanDerWaalsContact NH1-CD1 3.33Å; R400-Y404 VanDerWaalsContact NH1-CE1 3.25Å; R400-Y404 VanDerWaalsContact NH1-CZ 3.33Å; R400-Y404 VanDerWaalsContact NH2-CE1 3.26Å; R400-Y404 WeakPolarHBondContact O-CD2 3.23Å; R400-Y404 PolarHBondContact O-N 3Å
401S94.1Very high94.4Very high41 Ų4159 Ų5929%0.28730%0.296SS..Hα-helixtrans-67.3-42.2170.7-61.30000112.3L346 L398 R403 Y404 Y405L346-S401 VanDerWaalsContact CD2-CB 3.45Å; L398-S401 WeakPolarHBondContact O-CB 3.43Å; L398-S401 PolarHBondContact O-N 3.29Å; L398-S401 VanDerWaalsContact O-N 3.12Å; S401-R403 VanDerWaalsContact C-N 3.29Å; S401-R403 PolarHBondContact O-N 3.47Å; S401-Y404 PolarHBondContact O-N 3.16Å; S401-Y404 VanDerWaalsContact O-N 3.15Å; S401-Y405 PolarHBondContact O-N 3Å
402L96.5Very high94.5Very high0 Ų056 Ų560%027%0.271CS..Hα-helixtrans-58.7-40.1173.5-63.6179.5000112.1L346 L350 L374 L398 S399 Y405 Y406 M411 Y421L346-L402 HydrophobicContact CD2-CD2 4.15Å; L346-L402 HydrophobicContact CD2-CG 4.42Å; L350-L402 HydrophobicContact CD1-CD2 3.73Å; L374-L402 HydrophobicContact CD1-CD1 4.49Å; L398-L402 HydrophobicContact CD2-CD1 3.67Å; L398-L402 HydrophobicContact CD2-CG 3.94Å; L398-L402 PolarHBondContact O-N 3.1Å; L398-L402 VanDerWaalsContact O-N 3.07Å; S399-L402 PolarHBondContact O-N 3.28Å; L402-Y405 HydrophobicContact CD2-CD2 4.27Å; L402-Y405 WeakPolarHBondContact O-CB 3.5Å; L402-Y405 PolarHBondContact O-N 3.46Å; L402-Y405 VanDerWaalsContact O-N 3.11Å; L402-Y406 VanDerWaalsContact O-CD1 3.24Å; L402-Y406 WeakPolarHBondContact O-CD1 3.3Å; L402-Y406 WeakPolarHBondContact O-CE1 3.29Å; L402-M411 HydrophobicContact CD2-CE 4.17Å; L402-M411 HydrophobicContact CD2-SD 3.59Å; L402-M411 VanDerWaalsContact CD2-SD 3.59Å; L402-Y421 HydrophobicContact CB-CE1 4.05Å; L402-Y421 HydrophobicContact CD1-CD1 4.28Å; L402-Y421 HydrophobicContact CD1-CD2 4.3Å; L402-Y421 HydrophobicContact CD1-CE1 3.74Å; L402-Y421 HydrophobicContact CD1-CE2 3.8Å; L402-Y421 HydrophobicContact CG-CE1 4.46Å
403R95.9Very high94.5Very high98 Ų9856.1 Ų56.137%0.3726%0.258SS..Hα-helixtrans-60.1-44.2173.3-78.8175.6-85.2174.7-8.4112.8D396 S399 R400 S401 Y405 Y406D396-R403 IonicContact OD1-NH2 3.82Å; S399-R403 WeakPolarHBondContact O-CG 3.46Å; S399-R403 PolarHBondContact O-N 3.37Å; S399-R403 PolarHBondContact O-NE 3.07Å; S399-R403 PolarHBondContact OG-NH2 3.29Å; R400-R403 PolarHBondContact O-N 3.21Å; S401-R403 VanDerWaalsContact C-N 3.29Å; S401-R403 PolarHBondContact O-N 3.47Å; R403-Y405 PolarHBondContact O-N 3.05Å; R403-Y406 HydrophobicContact CB-CE2 4.25Å; R403-Y406 HydrophobicContact CG-CE2 3.8Å; R403-Y406 WeakPolarHBondContact O-CB 3.21Å; R403-Y406 PolarHBondContact O-N 3.21Å; R403-Y406 VanDerWaalsContact O-N 3.07Å
404Y94.1Very high94.4Very high82 Ų8255.6 Ų55.632%0.32226%0.257SS..Hα-helixtrans-63.6-21.7174.8-68.6-56.4000113.4R400 S401 Y406 K408R400-Y404 HydrophobicContact CG-CD2 4.46Å; R400-Y404 HydrophobicContact CG-CE2 3.86Å; R400-Y404 VanDerWaalsContact NH1-CD1 3.33Å; R400-Y404 VanDerWaalsContact NH1-CE1 3.25Å; R400-Y404 VanDerWaalsContact NH1-CZ 3.33Å; R400-Y404 VanDerWaalsContact NH2-CE1 3.26Å; R400-Y404 WeakPolarHBondContact O-CD2 3.23Å; R400-Y404 PolarHBondContact O-N 3Å; S401-Y404 PolarHBondContact O-N 3.16Å; S401-Y404 VanDerWaalsContact O-N 3.15Å; Y404-Y406 VanDerWaalsContact C-N 3.3Å; Y404-K408 WeakPolarHBondContact O-CG 3.46Å; Y404-K408 PolarHBondContact O-N 2.78Å
405Y94.6Very high94.3Very high26 Ų2657.8 Ų57.810%0.10228%0.277CS..Hα-helixtrans-77.6-11.6174.4-64.5-34.6000114L346 W347 S401 L402 R403 G409 I410 M411L346-Y405 HydrophobicContact CB-CE2 4.1Å; L346-Y405 HydrophobicContact CD2-CE2 4.12Å; L346-Y405 HydrophobicContact CG-CE2 4.24Å; W347-Y405 HydrophobicContact CB-CD2 4.33Å; W347-Y405 HydrophobicContact CB-CE2 3.79Å; W347-Y405 AromaticContact CD1-CZ 3.77Å; S401-Y405 PolarHBondContact O-N 3Å; L402-Y405 HydrophobicContact CD2-CD2 4.27Å; L402-Y405 WeakPolarHBondContact O-CB 3.5Å; L402-Y405 PolarHBondContact O-N 3.46Å; L402-Y405 VanDerWaalsContact O-N 3.11Å; R403-Y405 PolarHBondContact O-N 3.05Å; Y405-G409 PolarHBondContact O-N 3.42Å; Y405-I410 HydrophobicContact CD1-CB 4.43Å; Y405-I410 HydrophobicContact CD1-CD1 3.93Å; Y405-I410 HydrophobicContact CE1-CD1 4.26Å; Y405-I410 HydrophobicContact CG-CB 4.49Å; Y405-I410 PolarHBondContact O-N 3.15Å; Y405-M411 HydrophobicContact CD2-CE 4.05Å; Y405-M411 HydrophobicContact CD2-SD 3.77Å; Y405-M411 HydrophobicContact CE2-CE 4.46Å; Y405-M411 HydrophobicContact CG-SD 4.43Å; Y405-M411 PolarHBondContact O-N 2.94Å
406Y93.5Very high94.1Very high75 Ų7560.4 Ų60.429%0.29432%0.315SS..Hα-helixtrans-73.8-53.2170.2-45.6-20.5000110.6L402 R403 Y404 K408 G409 M411 K413 Y421L402-Y406 VanDerWaalsContact O-CD1 3.24Å; L402-Y406 WeakPolarHBondContact O-CD1 3.3Å; L402-Y406 WeakPolarHBondContact O-CE1 3.29Å; R403-Y406 HydrophobicContact CB-CE2 4.25Å; R403-Y406 HydrophobicContact CG-CE2 3.8Å; R403-Y406 WeakPolarHBondContact O-CB 3.21Å; R403-Y406 PolarHBondContact O-N 3.21Å; R403-Y406 VanDerWaalsContact O-N 3.07Å; Y404-Y406 VanDerWaalsContact C-N 3.3Å; Y406-K408 PolarHBondContact O-N 3.11Å; Y406-G409 PolarHBondContact O-N 3.17Å; Y406-M411 WeakPolarHBondContact CA-O 3.34Å; Y406-K413 HydrophobicContact CE1-CB 4.01Å; Y406-K413 HydrophobicContact CE2-CB 3.99Å; Y406-Y421 HydrophobicContact CE1-CD1 4.33Å; Y406-Y421 HydrophobicContact CE1-CE1 4.33Å; Y406-Y421 WeakPolarHBondContact OH-CE1 3.42Å
407E87.8Confident94Very high101 Ų10159.5 Ų59.547%0.47231%0.308SS..Hα-helixtrans-58.2-29.9178-63.9160.3-145.900112.1Q78Q78-E407 PolarHBondContact NE2-O 3.07Å
408K87.3Confident94Very high146 Ų14663 Ų6364%0.63532%0.318SS*.THydrogen-bonded Turntrans-89.71.4176.1-69.4-167.9172.7-162.70114.8Y404 Y406 I410Y404-K408 WeakPolarHBondContact O-CG 3.46Å; Y404-K408 PolarHBondContact O-N 2.78Å; Y406-K408 PolarHBondContact O-N 3.11Å; K408-I410 HydrophobicContact CB-CD1 4.25Å; K408-I410 HydrophobicContact CB-CG1 4.16Å; K408-I410 PolarHBondContact O-N 3.23Å; K408-I410 VanDerWaalsContact O-N 3.13Å
409G89.4Confident94Very high18 Ų1865.9 Ų65.919%0.18633%0.329CS..THydrogen-bonded Turntrans65.610.9-179.800000115.9Y405 Y406 V424 Y425Y405-G409 PolarHBondContact O-N 3.42Å; Y406-G409 PolarHBondContact O-N 3.17Å; G409-V424 WeakPolarHBondContact O-CB 3.38Å; G409-V424 VanDerWaalsContact O-CG2 3.23Å; G409-V424 WeakPolarHBondContact O-CG2 3.24Å; G409-Y425 WeakPolarHBondContact O-CE2 3.32Å
410I89.6Confident94Very high27 Ų2765.3 Ų65.314%0.13833%0.325CS..SBendtrans-80-40.7-178.8-57.3177.5000110.7W347 Y405 K408 V424 Y425 L430W347-I410 HydrophobicContact CB-CG2 4.4Å; W347-I410 HydrophobicContact CD2-CG2 4.29Å; W347-I410 HydrophobicContact CE3-CG2 4.48Å; W347-I410 HydrophobicContact CG-CG2 4.28Å; Y405-I410 HydrophobicContact CD1-CB 4.43Å; Y405-I410 HydrophobicContact CD1-CD1 3.93Å; Y405-I410 HydrophobicContact CE1-CD1 4.26Å; Y405-I410 HydrophobicContact CG-CB 4.49Å; Y405-I410 PolarHBondContact O-N 3.15Å; K408-I410 HydrophobicContact CB-CD1 4.25Å; K408-I410 HydrophobicContact CB-CG1 4.16Å; K408-I410 PolarHBondContact O-N 3.23Å; K408-I410 VanDerWaalsContact O-N 3.13Å; I410-V424 PolarHBondContact O-N 3.36Å; I410-V424 VanDerWaalsContact O-N 3.13Å; I410-Y425 HydrophobicContact CG1-CE2 4.38Å; I410-L430 HydrophobicContact CG2-CD1 4.45Å
411M92.9Very high94.1Very high0 Ų061.5 Ų61.50%031%0.311CS..EExtended strand (participates in β ladder)trans-132.7162.6178.6-65.4178.1-179.100111.1W347 L350 F372 L402 Y405 Y406 R422 F423W347-M411 HydrophobicContact CB-CE 3.69Å; L350-M411 HydrophobicContact CD1-CE 3.88Å; F372-M411 HydrophobicContact CE1-CE 4.36Å; F372-M411 HydrophobicContact CE1-SD 4.48Å; F372-M411 HydrophobicContact CZ-CE 3.98Å; F372-M411 HydrophobicContact CZ-SD 4.08Å; L402-M411 HydrophobicContact CD2-CE 4.17Å; L402-M411 HydrophobicContact CD2-SD 3.59Å; L402-M411 VanDerWaalsContact CD2-SD 3.59Å; Y405-M411 HydrophobicContact CD2-CE 4.05Å; Y405-M411 HydrophobicContact CD2-SD 3.77Å; Y405-M411 HydrophobicContact CE2-CE 4.46Å; Y405-M411 HydrophobicContact CG-SD 4.43Å; Y405-M411 PolarHBondContact O-N 2.94Å; Y406-M411 WeakPolarHBondContact CA-O 3.34Å; M411-R422 CarbonylContact C-O 3.56Å; M411-R422 VanDerWaalsContact CA-O 3.25Å; M411-R422 WeakPolarHBondContact CA-O 3.24Å; M411-F423 HydrophobicContact CE-CD1 4.06Å; M411-F423 HydrophobicContact CE-CE1 3.3Å; M411-F423 HydrophobicContact CE-CZ 3.61Å; M411-F423 HydrophobicContact CG-CD1 3.88Å; M411-F423 HydrophobicContact CG-CE1 4.11Å
412Q94.3Very high94.1Very high58 Ų5864.3 Ų64.327%0.27132%0.315SS..EExtended strand (participates in β ladder)trans-129.1149.2167.4-77.2168.440.100110.2R422 V424Q412-R422 PolarHBondContact N-O 3.17Å; Q412-R422 PolarHBondContact O-N 2.75Å; Q412-V424 HydrophobicContact CB-CG2 4.38Å; Q412-V424 HydrophobicContact CG-CG2 3.66Å; Q412-V424 VanDerWaalsContact NE2-CG2 3.29Å
413K95.9Very high94Very high76 Ų7664.5 Ų64.533%0.3332%0.316SS..EExtended strand (participates in β ladder)trans-77.1129168.5-178.358.7-164.7143.50109.6Y406 E417 V420 Y421Y406-K413 HydrophobicContact CE1-CB 4.01Å; Y406-K413 HydrophobicContact CE2-CB 3.99Å; K413-E417 WeakPolarHBondContact CE-O 3.28Å; K413-E417 PolarHBondContact NZ-O 3.25Å; K413-V420 PolarHBondContact NZ-O 3.29Å; K413-Y421 HydrophobicContact CD-CD1 4.24Å; K413-Y421 HydrophobicContact CD-CE1 3.84Å
414V95.9Very high93.6Very high23 Ų2362.8 Ų62.814%0.13932%0.316CS..PPolyproline II helixtrans-76.7123165-179.40000108.2E371 E417 V420 R422E371-V414 HydrophobicContact CG-CG2 3.94Å; V414-E417 HydrophobicContact CB-CB 4.47Å; V414-E417 HydrophobicContact CG1-CB 4.04Å; V414-E417 HydrophobicContact CG1-CG 4.07Å; V414-V420 HydrophobicContact CB-CB 4.18Å; V414-V420 HydrophobicContact CB-CG1 3.89Å; V414-V420 HydrophobicContact CG1-CG1 4.29Å; V414-V420 HydrophobicContact CG2-CG1 3.77Å; V414-V420 PolarHBondContact N-O 3.49Å; V414-R422 HydrophobicContact CG2-CB 4.26Å
415S94.3Very high92.6Very high108 Ų10863 Ų6376%0.75532%0.317SS*.SBendtrans-71.5154177.346.30000111.4E417S415-E417 PolarHBondContact O-N 3.2Å
416G94.6Very high91.2Very high90 Ų9066.2 Ų66.293%0.92833%0.333SS*.SBendtrans72.6-38.8-174.500000114.9
417E95.4Very high89.6Confident79 Ų7964.7 Ų64.737%0.36933%0.333SS..  trans-85.9129.5-173.2-74.6-75.8-166.900113.8R368 K413 V414 S415 V420R368-E417 IonicContact NH2-OE1 3.36Å; K413-E417 WeakPolarHBondContact CE-O 3.28Å; K413-E417 PolarHBondContact NZ-O 3.25Å; V414-E417 HydrophobicContact CB-CB 4.47Å; V414-E417 HydrophobicContact CG1-CB 4.04Å; V414-E417 HydrophobicContact CG1-CG 4.07Å; S415-E417 PolarHBondContact O-N 3.2Å; E417-V420 HydrophobicContact CB-CB 3.68Å; E417-V420 HydrophobicContact CB-CG1 4.49Å; E417-V420 HydrophobicContact CB-CG2 3.68Å; E417-V420 HydrophobicContact CG-CB 4.45Å; E417-V420 HydrophobicContact CG-CG2 4.22Å
418R96.6Very high88.2Confident176 Ų17664.4 Ų64.466%0.66433%0.331SS*.THydrogen-bonded Turntrans-77.3135.6172.2-74.9-176.664.2-177.3-0.9110.7V420R418-V420 PolarHBondContact O-N 2.86Å
419Y97.8Very high87Confident59 Ų5962.2 Ų62.223%0.23133%0.326CS..THydrogen-bonded Turntrans59.68.4177.3-47.8-73.2000117.1L374 P377 Y395 Y421L374-Y419 PolarHBondContact N-O 2.95Å; L374-Y419 VanDerWaalsContact O-CB 3.29Å; L374-Y419 WeakPolarHBondContact O-CB 3.25Å; P377-Y419 HydrophobicContact CB-CD1 3.64Å; P377-Y419 HydrophobicContact CB-CE1 3.72Å; P377-Y419 HydrophobicContact CB-CG 4.35Å; P377-Y419 HydrophobicContact CG-CD1 3.82Å; P377-Y419 HydrophobicContact CG-CE1 3.56Å; P377-Y419 HydrophobicContact CG-CE2 4.35Å; P377-Y419 HydrophobicContact CG-CG 4.31Å; Y395-Y419 HydrophobicContact CD1-CE1 4.07Å; Y395-Y419 HydrophobicContact CE1-CD1 4.07Å; Y395-Y419 AromaticContact CE1-CE1 3.55Å; Y395-Y419 HydrophobicContact CE1-CE1 3.55Å; Y395-Y419 AromaticContact CE2-CD1 3.99Å; Y395-Y419 HydrophobicContact CE2-CD1 3.99Å; Y395-Y419 HydrophobicContact CE2-CE1 4.21Å; Y395-Y419 AromaticContact CZ-CD1 3.61Å; Y395-Y419 AromaticContact CZ-CE1 3.61Å; Y419-Y421 VanDerWaalsContact O-CD2 3.27Å; Y419-Y421 WeakPolarHBondContact O-CD2 3.41Å; Y419-Y421 WeakPolarHBondContact O-CE2 3.12Å
420V97.5Very high85.8Confident2 Ų261.4 Ų61.41%0.01232%0.317CS..EExtended strand (participates in β ladder)trans-92.6135.4174-174.90000112T366 E371 F372 K373 K413 V414 E417 R418T366-V420 HydrophobicContact CG2-CG1 4.18Å; E371-V420 HydrophobicContact CG-CG1 3.46Å; E371-V420 VanDerWaalsContact CG-CG1 3.46Å; F372-V420 CarbonylContact O-C 3.59Å; F372-V420 WeakPolarHBondContact O-CA 3.46Å; K373-V420 HydrophobicContact CB-CG2 4.01Å; K373-V420 HydrophobicContact CD-CG2 3.92Å; K373-V420 HydrophobicContact CG-CG2 3.82Å; K413-V420 PolarHBondContact NZ-O 3.29Å; V414-V420 HydrophobicContact CB-CB 4.18Å; V414-V420 HydrophobicContact CB-CG1 3.89Å; V414-V420 HydrophobicContact CG1-CG1 4.29Å; V414-V420 HydrophobicContact CG2-CG1 3.77Å; V414-V420 PolarHBondContact N-O 3.49Å; E417-V420 HydrophobicContact CB-CB 3.68Å; E417-V420 HydrophobicContact CB-CG1 4.49Å; E417-V420 HydrophobicContact CB-CG2 3.68Å; E417-V420 HydrophobicContact CG-CB 4.45Å; E417-V420 HydrophobicContact CG-CG2 4.22Å; R418-V420 PolarHBondContact O-N 2.86Å
421Y97.6Very high84.6Confident7 Ų762.8 Ų62.83%0.02732%0.322CS..EExtended strand (participates in β ladder)trans-138.3160.2-176.6-63.9-88000109.8E371 F372 L374 Y395 L402 Y406 K413 Y419E371-Y421 CarbonylContact C-O 3.43Å; E371-Y421 VanDerWaalsContact CA-O 3.32Å; E371-Y421 WeakPolarHBondContact CA-O 3.29Å; E371-Y421 WeakPolarHBondContact CG-O 3.39Å; F372-Y421 HydrophobicContact CE2-CD2 4.18Å; F372-Y421 HydrophobicContact CE2-CG 4.29Å; F372-Y421 VanDerWaalsContact CZ-CB 3.46Å; F372-Y421 HydrophobicContact CZ-CG 4.19Å; F372-Y421 PolarHBondContact N-O 3Å; F372-Y421 PolarHBondContact O-N 3.42Å; F372-Y421 VanDerWaalsContact O-O 3.11Å; L374-Y421 HydrophobicContact CD1-CE2 4.21Å; L374-Y421 HydrophobicContact CG-CE2 4.48Å; Y395-Y421 PolarHBondContact OH-OH 2.96Å; L402-Y421 HydrophobicContact CB-CE1 4.05Å; L402-Y421 HydrophobicContact CD1-CD1 4.28Å; L402-Y421 HydrophobicContact CD1-CD2 4.3Å; L402-Y421 HydrophobicContact CD1-CE1 3.74Å; L402-Y421 HydrophobicContact CD1-CE2 3.8Å; L402-Y421 HydrophobicContact CG-CE1 4.46Å; Y406-Y421 HydrophobicContact CE1-CD1 4.33Å; Y406-Y421 HydrophobicContact CE1-CE1 4.33Å; Y406-Y421 WeakPolarHBondContact OH-CE1 3.42Å; K413-Y421 HydrophobicContact CD-CD1 4.24Å; K413-Y421 HydrophobicContact CD-CE1 3.84Å; Y419-Y421 VanDerWaalsContact O-CD2 3.27Å; Y419-Y421 WeakPolarHBondContact O-CD2 3.41Å; Y419-Y421 WeakPolarHBondContact O-CE2 3.12Å
422R94.9Very high83Confident99 Ų9966.4 Ų66.437%0.37435%0.348SS..EExtended strand (participates in β ladder)trans-136.6134.5177.4-166-176.1-68.2179.5-1.8110.7K369 L370 E371 M411 Q412 V414K369-R422 VanDerWaalsContact O-CD 3.3Å; K369-R422 WeakPolarHBondContact O-CD 3.25Å; K369-R422 WeakPolarHBondContact O-CG 3.41Å; L370-R422 WeakPolarHBondContact O-CA 3.22Å; L370-R422 WeakPolarHBondContact O-CG 3.33Å; E371-R422 HydrophobicContact CB-CB 4.3Å; E371-R422 HydrophobicContact CB-CG 4.03Å; E371-R422 HydrophobicContact CG-CB 4.39Å; E371-R422 IonicContact OE2-CZ 2.7Å; E371-R422 IonicContact OE2-NE 3.45Å; E371-R422 PolarHBondContact OE2-NE 2.98Å; E371-R422 IonicContact OE2-NH2 2.65Å; E371-R422 PolarHBondContact OE2-NH2 2.84Å; M411-R422 CarbonylContact C-O 3.56Å; M411-R422 VanDerWaalsContact CA-O 3.25Å; M411-R422 WeakPolarHBondContact CA-O 3.24Å; Q412-R422 PolarHBondContact N-O 3.17Å; Q412-R422 PolarHBondContact O-N 2.75Å; V414-R422 HydrophobicContact CG2-CB 4.26Å
423F94Very high81.4Confident4 Ų468.8 Ų68.82%0.01836%0.362CS..EExtended strand (participates in β ladder)trans-74.4143.2167.9-66.2-87000110.2W347 I351 L354 W365 L370 F372 M411 L430W347-F423 HydrophobicContact CB-CE1 4.35Å; W347-F423 HydrophobicContact CE3-CE1 4.43Å; I351-F423 HydrophobicContact CD1-CE1 4.22Å; I351-F423 HydrophobicContact CD1-CZ 4.19Å; I351-F423 HydrophobicContact CG1-CE1 4.15Å; I351-F423 HydrophobicContact CG1-CE2 4.16Å; I351-F423 HydrophobicContact CG1-CZ 3.6Å; L354-F423 HydrophobicContact CD1-CE2 4.23Å; W365-F423 HydrophobicContact CH2-CD2 4.03Å; W365-F423 AromaticContact CH2-CE2 3.98Å; W365-F423 HydrophobicContact CH2-CE2 3.98Å; W365-F423 HydrophobicContact CZ3-CD2 4.13Å; W365-F423 HydrophobicContact CZ3-CE2 4.32Å; L370-F423 HydrophobicContact CB-CB 4.21Å; L370-F423 HydrophobicContact CD1-CB 4.27Å; L370-F423 PolarHBondContact O-N 2.93Å; F372-F423 AromaticContact CD1-CD2 3.79Å; F372-F423 HydrophobicContact CD1-CD2 3.79Å; F372-F423 AromaticContact CD1-CE2 3.57Å; F372-F423 HydrophobicContact CD1-CE2 3.57Å; F372-F423 AromaticContact CE1-CD2 3.63Å; F372-F423 HydrophobicContact CE1-CD2 3.63Å; F372-F423 AromaticContact CE1-CE2 3.32Å; F372-F423 HydrophobicContact CE1-CE2 3.32Å; F372-F423 HydrophobicContact CE1-CG 4.4Å; F372-F423 AromaticContact CE1-CZ 3.88Å; F372-F423 HydrophobicContact CE1-CZ 3.88Å; F372-F423 HydrophobicContact CZ-CE2 4.2Å; F372-F423 HydrophobicContact CZ-CZ 4.39Å; M411-F423 HydrophobicContact CE-CD1 4.06Å; M411-F423 HydrophobicContact CE-CE1 3.3Å; M411-F423 HydrophobicContact CE-CZ 3.61Å; M411-F423 HydrophobicContact CG-CD1 3.88Å; M411-F423 HydrophobicContact CG-CE1 4.11Å; F423-L430 HydrophobicContact CB-CD1 4.49Å; F423-L430 HydrophobicContact CB-CD2 3.69Å; F423-L430 HydrophobicContact CD1-CD1 3.64Å; F423-L430 HydrophobicContact CD1-CD2 3.47Å; F423-L430 VanDerWaalsContact CD1-CD2 3.47Å; F423-L430 HydrophobicContact CD1-CG 4.18Å; F423-L430 HydrophobicContact CD2-CD2 3.95Å; F423-L430 HydrophobicContact CE1-CD1 4.15Å; F423-L430 HydrophobicContact CE1-CD2 3.94Å; F423-L430 HydrophobicContact CE2-CD2 4.4Å; F423-L430 HydrophobicContact CG-CD1 4.34Å; F423-L430 HydrophobicContact CG-CD2 3.45Å; F423-L430 VanDerWaalsContact CG-CD2 3.45Å; F423-L430 HydrophobicContact CZ-CD2 4.39Å
424V87.3Confident79.7Confident62 Ų6265.3 Ų65.338%0.37635%0.347SS..  trans-89.3-43.4-172.7-1710000112.4G409 I410 Q412G409-V424 WeakPolarHBondContact O-CB 3.38Å; G409-V424 VanDerWaalsContact O-CG2 3.23Å; G409-V424 WeakPolarHBondContact O-CG2 3.24Å; I410-V424 PolarHBondContact O-N 3.36Å; I410-V424 VanDerWaalsContact O-N 3.13Å; Q412-V424 HydrophobicContact CB-CG2 4.38Å; Q412-V424 HydrophobicContact CG-CG2 3.66Å; Q412-V424 VanDerWaalsContact NE2-CG2 3.29Å
425Y73.7Confident78.1Confident88 Ų8865.6 Ų65.635%0.34535%0.347SS..SBendtrans-67151.2177.5-61.7-70.9000111.3L370 G409 I410L370-Y425 WeakPolarHBondContact CD1-O 3.3Å; G409-Y425 WeakPolarHBondContact O-CE2 3.32Å; I410-Y425 HydrophobicContact CG1-CE2 4.38Å
426E64.8Low75.9Confident92 Ų9265.5 Ų65.543%0.4334%0.343SS..  trans-63.5151.3170.7-55.1-154.6118.100110.4K369 E428 L429 L430K369-E426 IonicContact NZ-OE1 2.73Å; K369-E426 PolarHBondContact NZ-OE1 3.11Å; E426-E428 VanDerWaalsContact C-N 3.29Å; E426-E428 PolarHBondContact O-N 3.19Å; E426-L429 PolarHBondContact O-N 3.03Å; E426-L430 PolarHBondContact O-N 2.68Å; E426-L430 VanDerWaalsContact O-N 3.07Å
427P59.4Low73.3Confident44 Ų4464.1 Ų64.129%0.28633%0.329SS..Hα-helixtrans-55.3-46.6-166.8-21.428.4000111.6L370 L429 L430 F431L370-P427 HydrophobicContact CD1-CB 4.4Å; L370-P427 HydrophobicContact CD1-CG 3.78Å; L370-P427 HydrophobicContact CD2-CB 4.31Å; L370-P427 HydrophobicContact CD2-CG 4.04Å; L370-P427 HydrophobicContact CG-CG 3.95Å; P427-L429 VanDerWaalsContact C-N 3.28Å; P427-L429 PolarHBondContact O-N 3.25Å; P427-L430 CarbonylContact O-C 3.57Å; P427-L430 WeakPolarHBondContact O-CB 3.48Å; P427-L430 PolarHBondContact O-N 3.35Å; P427-F431 HydrophobicContact CB-CD2 4.37Å; P427-F431 WeakPolarHBondContact O-CB 3.46Å; P427-F431 VanDerWaalsContact O-CD2 3.27Å; P427-F431 WeakPolarHBondContact O-CD2 3.46Å; P427-F431 PolarHBondContact O-N 3.22Å
428E58.6Low70.5Confident95 Ų9568.7 Ų68.744%0.44435%0.35SS..Hα-helixtrans-58.7-37.9-177.3-53.6-169.4177.300113.3S301 E426 S432S301-E428 WeakPolarHBondContact CB-OE1 3.47Å; S301-E428 PolarHBondContact OG-OE1 2.68Å; S301-E428 PolarHBondContact OG-OE2 2.65Å; E426-E428 VanDerWaalsContact C-N 3.29Å; E426-E428 PolarHBondContact O-N 3.19Å; E428-S432 VanDerWaalsContact O-CB 3.25Å; E428-S432 WeakPolarHBondContact O-CB 3.14Å; E428-S432 PolarHBondContact O-N 2.77Å; E428-S432 PolarHBondContact O-OG 2.96Å
429L63.1Low67.6Low99 Ų9969.1 Ų69.152%0.51836%0.36SS..Hα-helixtrans-71.5-42.5175.6-65.1175.2000111.1E426 P427 S432 L433E426-L429 PolarHBondContact O-N 3.03Å; P427-L429 VanDerWaalsContact C-N 3.28Å; P427-L429 PolarHBondContact O-N 3.25Å; L429-S432 PolarHBondContact O-N 3.28Å; L429-L433 WeakPolarHBondContact O-CB 3.44Å; L429-L433 WeakPolarHBondContact O-CG 3.47Å; L429-L433 PolarHBondContact O-N 2.86Å
430L64.6Low64.6Low2 Ų273.4 Ų73.41%0.0138%0.382CS..Hα-helixtrans-61.7-45.4176.7-175.274000111.7W347 I351 I410 F423 E426 P427 A434W347-L430 HydrophobicContact CE3-CD1 3.82Å; W347-L430 HydrophobicContact CE3-CG 4.44Å; W347-L430 HydrophobicContact CH2-CD1 4.38Å; W347-L430 HydrophobicContact CZ3-CD1 3.47Å; W347-L430 VanDerWaalsContact CZ3-CD1 3.47Å; W347-L430 HydrophobicContact CZ3-CG 3.91Å; W347-L430 WeakPolarHBondContact CZ3-O 3.39Å; I351-L430 HydrophobicContact CD1-CD1 4.42Å; I351-L430 HydrophobicContact CD1-CD2 3.75Å; I351-L430 HydrophobicContact CD1-CG 3.79Å; I351-L430 HydrophobicContact CG1-CD2 4.4Å; I410-L430 HydrophobicContact CG2-CD1 4.45Å; F423-L430 HydrophobicContact CB-CD1 4.49Å; F423-L430 HydrophobicContact CB-CD2 3.69Å; F423-L430 HydrophobicContact CD1-CD1 3.64Å; F423-L430 HydrophobicContact CD1-CD2 3.47Å; F423-L430 VanDerWaalsContact CD1-CD2 3.47Å; F423-L430 HydrophobicContact CD1-CG 4.18Å; F423-L430 HydrophobicContact CD2-CD2 3.95Å; F423-L430 HydrophobicContact CE1-CD1 4.15Å; F423-L430 HydrophobicContact CE1-CD2 3.94Å; F423-L430 HydrophobicContact CE2-CD2 4.4Å; F423-L430 HydrophobicContact CG-CD1 4.34Å; F423-L430 HydrophobicContact CG-CD2 3.45Å; F423-L430 VanDerWaalsContact CG-CD2 3.45Å; F423-L430 HydrophobicContact CZ-CD2 4.39Å; E426-L430 PolarHBondContact O-N 2.68Å; E426-L430 VanDerWaalsContact O-N 3.07Å; P427-L430 CarbonylContact O-C 3.57Å; P427-L430 WeakPolarHBondContact O-CB 3.48Å; P427-L430 PolarHBondContact O-N 3.35Å; L430-A434 VanDerWaalsContact O-CB 3.3Å; L430-A434 WeakPolarHBondContact O-CB 3.23Å; L430-A434 PolarHBondContact O-N 3.29Å
431F63Low61.2Low55 Ų5578.4 Ų78.424%0.24142%0.417CS..Hα-helixtrans-65.7-42.4174.5-85.1-96.4000111.2I351 P427 L433 A434 F435I351-F431 HydrophobicContact CG2-CE1 3.9Å; I351-F431 HydrophobicContact CG2-CE2 4.33Å; I351-F431 HydrophobicContact CG2-CZ 3.73Å; P427-F431 HydrophobicContact CB-CD2 4.37Å; P427-F431 WeakPolarHBondContact O-CB 3.46Å; P427-F431 VanDerWaalsContact O-CD2 3.27Å; P427-F431 WeakPolarHBondContact O-CD2 3.46Å; P427-F431 PolarHBondContact O-N 3.22Å; F431-L433 PolarHBondContact O-N 3.2Å; F431-A434 PolarHBondContact O-N 2.86Å; F431-F435 HydrophobicContact CB-CD2 4.33Å; F431-F435 AromaticContact CD1-CD2 3.92Å; F431-F435 HydrophobicContact CD1-CD2 3.92Å; F431-F435 AromaticContact CD1-CE2 3.55Å; F431-F435 HydrophobicContact CD1-CE2 3.55Å; F431-F435 HydrophobicContact CE1-CE2 4.1Å; F431-F435 HydrophobicContact CG-CE2 4.33Å; F431-F435 WeakPolarHBondContact O-CB 3.34Å; F431-F435 WeakPolarHBondContact O-CD2 3.42Å; F431-F435 PolarHBondContact O-N 2.79Å
432S59.8Low58Low76 Ų7684.7 Ų84.753%0.53145%0.451SS..Hα-helixtrans-65.5-36177.1-580000113E428 L429 F435E428-S432 VanDerWaalsContact O-CB 3.25Å; E428-S432 WeakPolarHBondContact O-CB 3.14Å; E428-S432 PolarHBondContact O-N 2.77Å; E428-S432 PolarHBondContact O-OG 2.96Å; L429-S432 PolarHBondContact O-N 3.28Å; S432-F435 CarbonylContact O-C 3.56Å
433L61.6Low55Low109 Ų10989.3 Ų89.357%0.57148%0.477SS*.Hα-helixtrans-73.5-28173.7-71.3169000112.4W347 L429 F431W347-L433 HydrophobicContact CH2-CB 4.04Å; L429-L433 WeakPolarHBondContact O-CB 3.44Å; L429-L433 WeakPolarHBondContact O-CG 3.47Å; L429-L433 PolarHBondContact O-N 2.86Å; F431-L433 PolarHBondContact O-N 3.2Å
434A59.9Low52.1Low2 Ų297.9 Ų97.92%0.01752%0.517CS..Hα-helixtrans-76.3-34.7175.700000111.3W347 Q348 L430 F431W347-A434 VanDerWaalsContact CH2-CA 3.47Å; W347-A434 HydrophobicContact CH2-CB 3.59Å; W347-A434 HydrophobicContact CZ2-CB 4.46Å; W347-A434 HydrophobicContact CZ3-CB 3.65Å; Q348-A434 HydrophobicContact CG-CB 4.04Å; Q348-A434 PolarHBondContact NE2-O 2.87Å; L430-A434 VanDerWaalsContact O-CB 3.3Å; L430-A434 WeakPolarHBondContact O-CB 3.23Å; L430-A434 PolarHBondContact O-N 3.29Å; F431-A434 PolarHBondContact O-N 2.86Å
435F61.4Low49.4Very low30 Ų30102 Ų10213%0.13254%0.536CS..  trans-129.870.3-169.9-46.5-51.5000110.1A331 L335 F431 S432 G437A331-F435 HydrophobicContact CB-CD2 4.11Å; A331-F435 HydrophobicContact CB-CG 4.49Å; L335-F435 HydrophobicContact CD1-CE1 4.17Å; L335-F435 HydrophobicContact CD1-CZ 3.77Å; L335-F435 HydrophobicContact CD2-CE1 3.47Å; L335-F435 VanDerWaalsContact CD2-CE1 3.47Å; L335-F435 HydrophobicContact CD2-CZ 3.69Å; L335-F435 HydrophobicContact CG-CD1 4.39Å; L335-F435 HydrophobicContact CG-CE1 3.41Å; L335-F435 VanDerWaalsContact CG-CE1 3.41Å; L335-F435 HydrophobicContact CG-CZ 3.54Å; F431-F435 HydrophobicContact CB-CD2 4.33Å; F431-F435 AromaticContact CD1-CD2 3.92Å; F431-F435 HydrophobicContact CD1-CD2 3.92Å; F431-F435 AromaticContact CD1-CE2 3.55Å; F431-F435 HydrophobicContact CD1-CE2 3.55Å; F431-F435 HydrophobicContact CE1-CE2 4.1Å; F431-F435 HydrophobicContact CG-CE2 4.33Å; F431-F435 WeakPolarHBondContact O-CB 3.34Å; F431-F435 WeakPolarHBondContact O-CD2 3.42Å; F431-F435 PolarHBondContact O-N 2.79Å; S432-F435 CarbonylContact O-C 3.56Å; F435-G437 PolarHBondContact O-N 3.42Å
436P48.9Very low47.5Very low105 Ų105105 Ų10568%0.68256%0.557SS**  trans-59.6111.3166.426.7-33.3000108.1
437G38.9Very low46Very low61 Ų61106.3 Ų106.363%0.62958%0.575SS**  trans-65.1147.8-179.900000111.7F435 E439F435-G437 PolarHBondContact O-N 3.42Å; G437-E439 PolarHBondContact O-N 3.41Å
438E37.9Very low44.6Very low175 Ų175109 Ų10982%0.81860%0.596SS**  trans-74.962172.5-64.8-174.4160.300110.6H440E438-H440 PolarHBondContact O-CD2 3.09Å; E438-H440 PolarHBondContact O-N 2.95Å
439E35Very low43.4Very low185 Ų185110.4 Ų110.486%0.86461%0.611SS**  trans-64.599.8169.1-76.4-75.5149.800108.9G437 S441G437-E439 PolarHBondContact O-N 3.41Å; E439-S441 PolarHBondContact O-N 3.16Å
440H34.5Very low41.9Very low150 Ų150112 Ų11269%0.69463%0.625SS**  trans-61.7124.8-169.8-71.5-81.9000113.7E438 N442E438-H440 PolarHBondContact O-CD2 3.09Å; E438-H440 PolarHBondContact O-N 2.95Å; H440-N442 PolarHBondContact O-N 3.27Å
441S25.7Very low40.3Very low107 Ų107118.5 Ų118.575%0.74867%0.665SS**  trans40.275.1145.362.30000117.6E439E439-S441 PolarHBondContact O-N 3.16Å
442N30Very low38.7Very low139 Ų139120.8 Ų120.874%0.74369%0.694SS**  trans-133.928.1164.2-92.9-60.6000114.2H440 Q444H440-N442 PolarHBondContact O-N 3.27Å; N442-Q444 PolarHBondContact O-N 3.06Å
443Q32.5Very low37.6Very low196 Ų196126.6 Ų126.692%0.91671%0.709SS**THydrogen-bonded Turntrans-74.649171.5-66.2-173.5-3.700112.9
444Q33.4Very low36.1Very low184 Ų184126.9 Ų126.986%0.8672%0.716SS**THydrogen-bonded Turntrans-157.820.8179.6-135.415985.800117.2N442N442-Q444 PolarHBondContact O-N 3.06Å
445L31.6Very low35Very low149 Ų149134.4 Ų134.478%0.7876%0.756SS**SBendtrans-140.634.7-176.9-143.293.7000117.3
446I33.8Very low33.6Very low151 Ų151138.5 Ų138.577%0.77478%0.783SS**SBendtrans-118-11176.1-55.1-178.7000112.7S448I446-S448 PolarHBondContact O-N 3.3Å
447S31.8Very low33.2Very low118 Ų118140.2 Ų140.283%0.82579%0.787SS**THydrogen-bonded Turntrans-80.528.2-175.6-470000115.1
448S31.4Very low33.1Very low102 Ų102143 Ų14371%0.71379%0.788SS**THydrogen-bonded Turntrans-146.916.5-163.8-53.80000117.2I446I446-S448 PolarHBondContact O-N 3.3Å
449T33Very low33.1Very low123 Ų123142.5 Ų142.576%0.75578%0.783SS**SBendtrans-135.540.6-17653.70000115.2
450T31.5Very low33Very low134 Ų134138.8 Ų138.882%0.82278%0.777SS**  trans-133.421.5179.746.90000115.8
451T30.8Very low32.8Very low138 Ų138137.4 Ų137.485%0.84778%0.784SS**  trans-130.573.9177.1550000113.6
452A29.5Very low33.2Very low103 Ų103135.9 Ų135.985%0.85179%0.785SS**  trans-155.977.7168.500000112.4
453K36.8Very low33.6Very low197 Ų197137.3 Ų137.386%0.85779%0.788SS**  trans-112.9136.1159.8-92.4-175.1175.9177.30109.2
454T29Very low33.4Very low116 Ų116133.4 Ų133.471%0.71277%0.772SS**  trans47.5104.5157.156.50000117.3
455N36.7Very low33.3Very low160 Ų160133.8 Ų133.886%0.85677%0.766SS**  -167.4169.597.9-88.7-22.9000111.7
456T33.7Very low33.4Very low115 Ų115134.7 Ų134.771%0.70677%0.766SS**  trans-103.3175.2-170.848.40000112.9
457D38.8Very low33.3Very low142 Ų142135.7 Ų135.776%0.75977%0.772SS**  trans86.4117.1152.6-50.7-47.9000121.2
458D38.6Very low33.5Very low120 Ų120134.7 Ų134.764%0.64276%0.763SS**  trans64103.7140.7-85.44.4000124.6
459K36.7Very low33.4Very low164 Ų164136.4 Ų136.471%0.71376%0.764SS**  62.9143.3117.1-67.4-173.4-165.478.40122
460S32.6Very low33.4Very low106 Ų106137.9 Ų137.974%0.74177%0.767SS**  trans93.588.9141.3700000120.4
461S31.8Very low33.4Very low122 Ų122135.9 Ų135.985%0.85376%0.759SS**  51.7124.2120.7620000121.7
462G33.4Very low33.6Very low74 Ų74136.7 Ų136.776%0.76376%0.757SS**  trans121.8137.4159.600000112.6
463Q37.5Very low33.6Very low170 Ų170136.4 Ų136.479%0.79475%0.749SS**  cis174.5144.6-19.3-124.4-170.4-25.100104.9
464L28.5Very low33.5Very low114 Ų114132.4 Ų132.460%0.59774%0.741SS**  trans77.7127.1146.9-67.7167.5000122.7
465R32.4Very low33.8Very low191 Ų191131.5 Ų131.572%0.72174%0.737SS**  trans75.7116.7150-60.1162.4-157.1-72.10.2116.2
466Q33.9Very low33.6Very low169 Ų169133.3 Ų133.379%0.7973%0.733SS**  66.4115.558.2-66.1-179.8-37.700114.2
467L32.1Very low33.7Very low172 Ų172136.4 Ų136.490%0.90174%0.737SS**  -171.4148.4115.1-96.9161.8000110.4
468P34.8Very low33.2Very low97 Ų97137.4 Ų137.463%0.6374%0.742SS**  trans-123.9-174.8-173.244.7-33.6000115.9
469D30.5Very low32.9Very low138 Ų138134.3 Ų134.374%0.73874%0.738SS**  trans79.1152151.4-60.3-29.7000123.1
470N32.5Very low32.7Very low153 Ų153133.1 Ų133.182%0.81874%0.744SS**  trans82.3150.1164.1-57.7-68.1000119.4
471S30.7Very low32.7Very low92 Ų92132.3 Ų132.364%0.64374%0.739SS**  cis-179145.2-30.457.80000110.2
472L35.9Very low32.7Very low155 Ų155133.8 Ų133.881%0.81274%0.737SS**  trans164.7118.9157-110.445.9000106.6
473S28.6Very low32.6Very low97 Ų97135.7 Ų135.768%0.67874%0.738SS**  56.7131.567.982.60000113.5
474T35.1Very low32.4Very low113 Ų113135.2 Ų135.269%0.69374%0.736SS**  cis-149.6169.442.6470000115.2
475P36.1Very low32.4Very low97 Ų97139.9 Ų139.963%0.6375%0.752SS**  trans-108.9-137.4-176.143.1-35.2000114.5
476Y32.2Very low32.1Very low199 Ų199134.3 Ų134.378%0.7874%0.742SS**  trans82.7140.9-176.8-37-54000114.4
477K35.9Very low31.9Very low180 Ų180136.1 Ų136.178%0.78375%0.747SS**  cis-152.3131.9-1.7-117.7171.8179.9179.70107.5
478L28.1Very low31.8Very low163 Ų163133.6 Ų133.685%0.85374%0.739SS**  68.4122.895.7-163.379.7000115.2
479G31.6Very low31.3Very low54 Ų54134 Ų13456%0.55775%0.745SS**  cis165.8-159.6-2.400000113.8
480T32.1Very low31.4Very low139 Ų139135.3 Ų135.385%0.85375%0.752SS**  trans65.1139.717045.70000118.6
481S32.5Very low31.1Very low90 Ų90134.5 Ų134.563%0.62974%0.743SS**  cis-169.3155.9-5.246.10000113.3
482N32.1Very low31Very low153 Ų153139.1 Ų139.182%0.81875%0.752SS**  trans73143.2161.9-55.4-14.1000117.8
483S32.6Very low30.5Very low113 Ų113137.1 Ų137.179%0.7974%0.742SS**  cis-156.1142.7-14.842.80000113.1
484Q31.8Very low30.5Very low161 Ų161140 Ų14075%0.75275%0.75SS**  trans-61.1154-177.5-58.9156.1-70.800116.1
485F29.1Very low30.3Very low211 Ų211143.3 Ų143.393%0.92576%0.757SS**  -171.6120.2124.8-89.3-68.2000107.3
486C26.3Very low29.8Very low75 Ų75148 Ų14851%0.50777%0.77SS.*  cis98.293.721.1-63.50000116.4
487F29.8Very low29.5Very low206 Ų206144 Ų14490%0.90477%0.767SS**  trans-147.190.2145.4-78.4-68.8000107.9
488T29Very low29.1Very low119 Ų119141.6 Ų141.673%0.7376%0.763SS**  80.8120.376.460.20000114.7
489S25.7Very low29.2Very low106 Ų106140.2 Ų140.274%0.74176%0.756SS**  trans-65.4168.1-176.3-33.60000114.9
490N31.4Very low29Very low166 Ų166144 Ų14489%0.88876%0.763SS**  trans-126.4120134.6-114.2-32.3000109.3
491H27.1Very low28.9Very low136 Ų136143.3 Ų143.363%0.6376%0.76SS**  trans-119.5119.9-176.2-167.8-30000106.7N493H491-N493 PolarHBondContact CE1-OD1 3.11Å
492F28.9Very low28.6Very low189 Ų189147.1 Ų147.183%0.82977%0.767SS**  trans-130.3102.6169.9-112.6-81.4000110.3
493N25.1Very low28.2Very low113 Ų113144.6 Ų144.660%0.60476%0.761SS**  trans-67.7149.4159.5-65.4-35.3000108.4H491H491-N493 PolarHBondContact CE1-OD1 3.11Å
494N28.9Very low28Very low158 Ų158146.4 Ų146.485%0.84576%0.76SS**  -152.5151.9119.3-105.3-25.3000111.4
495Q29.6Very low27.9Very low182 Ų182144.4 Ų144.485%0.8576%0.761SS**  trans-82.4152.7-174.6-68.3163.1-20.600110.7
496Q26.3Very low27.8Very low195 Ų195140 Ų14091%0.91175%0.751SS**  trans-74.6125.5163.6-69.7174.9-46.400109.5
497T26.7Very low27.9Very low116 Ų116144 Ų14471%0.71277%0.768SS**  trans-141.3130.6147.338.20000109.8
498D26.7Very low27.8Very low129 Ų129142 Ų14269%0.6976%0.761SS**  trans41.3118.3142.1-40.3-33.6000119.3
499N30.1Very low28Very low133 Ų133145.8 Ų145.871%0.71177%0.771SS**  -178.6133.785.3-92.5-79000112.5
500N26.6Very low28.1Very low133 Ų133148.6 Ų148.671%0.71177%0.77SS**  trans30125.5141.7-37.5-34.4000119.5
501T31.3Very low28.1Very low126 Ų126151 Ų15177%0.77377%0.772SS**  -178.1152.689.3-650000111.9
502E26.6Very low28.1Very low169 Ų169147.8 Ų147.879%0.7978%0.776SS**  trans-40.5169.2167.9-60.8179.8102.400117.8
503C23.7Very low28.2Very low101 Ų101145.6 Ų145.668%0.68278%0.778SS**  cis-175.4-177.8-22-94.90000108.5
504I27.2Very low28.4Very low150 Ų150149.2 Ų149.277%0.76979%0.788SS**  trans72.2117.7158.8-39.7-173.4000118.2
505P30.1Very low28.4Very low120 Ų120152.9 Ų152.978%0.77979%0.79SS**  trans-107.1130.3159.335.7-25.9000113
506T26.8Very low28.5Very low117 Ų117152.2 Ų152.272%0.71878%0.784SS**  trans-166132.2156.536.80000111.1
507N29.7Very low28.8Very low160 Ų160149.2 Ų149.286%0.85677%0.77SS**  178.2143.7114.5-88.9-18.2000111.8
508E27Very low29Very low165 Ų165149.2 Ų149.277%0.77177%0.766SS**  trans-80.1157165.8-46.6-179.913700110.1
509E32Very low29.2Very low197 Ų197148.9 Ų148.992%0.92176%0.764SS**  trans-155161131.6-124.7173.8-164.700113.3
510K29.5Very low29.2Very low166 Ų166149.9 Ų149.972%0.72277%0.768SS**  trans-106.6149.4-171.1-63.5155.7180139.70110.4
511F29.9Very low29.4Very low216 Ų216150.3 Ų150.395%0.94777%0.769SS**  trans-177.6135.6135.1-90.2-62.4000109.9
512G27.4Very low29.2Very low68 Ų68153.2 Ų153.270%0.70177%0.774SS**  cis139.362-15.700000116.9
513V30.9Very low29.5Very low143 Ų143148.7 Ų148.787%0.86777%0.773SS**  trans-135.5148.8172.5-178.20000112.1
514K28.9Very low29.8Very low189 Ų189152 Ų15282%0.82278%0.778SS**  trans-126.4152-176.2-58173.9-179.8175.10113
515R30.2Very low30Very low236 Ų236150.5 Ų150.589%0.89177%0.772SS**  trans159.7122.7148.4-93.1164.2-99.8-168.1-7.4107.4
516K30.4Very low30.1Very low167 Ų167152.1 Ų152.173%0.72677%0.769SS**  cis79.1101.517.2-151.4-165.1-176.1-131.20115.9
517H33.7Very low30.3Very low133 Ų133152.2 Ų152.262%0.61677%0.765SS**  168.5132.7120-98.7-83.6000113.1
518N31.1Very low30.5Very low115 Ų115151.6 Ų151.662%0.61576%0.762SS**  trans49161.7132.5-60.140.8000122.3
519D29.3Very low30.6Very low122 Ų122149.5 Ų149.565%0.65276%0.756SS**  cis-173.4-176.1-23.7-87-21.2000107
520I31.2Very low30.4Very low155 Ų155149.7 Ų149.780%0.79575%0.75SS**  trans77.1133.4165.9-49.6164.8000113.7
521L30.3Very low30.6Very low142 Ų142150.6 Ų150.674%0.74375%0.753SS**  cis122.5134.63.9-83.9172.9000113
522E28.1Very low30.6Very low186 Ų186147.8 Ų147.887%0.86974%0.743SS**  trans72.8156.1156-68.7168.7-158.700121.8
523G32.2Very low30.7Very low74 Ų74152.4 Ų152.476%0.76375%0.75SS**  trans96.388.6-179.900000114.1
524E30.7Very low30.5Very low171 Ų171151.2 Ų151.280%0.79974%0.739SS**  72.412455-90.1-163.3-152.500117.9
525N31.4Very low30.6Very low119 Ų119150.5 Ų150.564%0.63674%0.739SS**  trans85119.6142.8-61.2-15.3000124.2
526E32.4Very low30.6Very low154 Ų154145.4 Ų145.472%0.7273%0.734SS**  85.5118.5129.9-72.4-164.5-131.400124
527N30.4Very low30.5Very low119 Ų119143.4 Ų143.464%0.63674%0.738SS**  47.8118.1124.8-54.8-34.5000120.1
528N33.8Very low30.3Very low147 Ų147143.1 Ų143.179%0.78675%0.751SS**  -177.8163.395.9-102.2-73.2000116.1
529N29.2Very low30Very low121 Ų121142.7 Ų142.765%0.64776%0.757SS**  trans-55.8150.8176.6-54.4-87.1000115.2
530Y28.6Very low30Very low201 Ų201143.6 Ų143.679%0.78877%0.767SS**  176.6137.898.4-103.4-72.2000116.1
531K33.5Very low29.7Very low184 Ų184141.5 Ų141.580%0.876%0.761SS**  trans51.3119.6149-87.3167.6-177.7179.20122.9
532Q28.1Very low29.7Very low157 Ų157141.7 Ų141.773%0.73477%0.768SS**  trans-45.7140.3150.3172-171.51.300115D534Q532-D534 PolarHBondContact NE2-OD2 3Å
533I31.3Very low29.7Very low166 Ų166138 Ų13885%0.85176%0.758SS**  trans-140.9144.5149.7-60-176.6000106.9
534D26.1Very low29.7Very low117 Ų117142.8 Ų142.863%0.62677%0.766SS**  trans-95.2-168.9-176.6-70.5-80.4000113.3Q532Q532-D534 PolarHBondContact NE2-OD2 3Å
535E31Very low29.8Very low175 Ų175137.7 Ų137.782%0.81876%0.759SS**  trans93.594.5163.8-55.7-164.4168.100121.1
536T29.5Very low29.9Very low129 Ų129139.3 Ų139.379%0.79177%0.768SS**  trans71.4136.8136.565.60000121.6
537P29.3Very low30Very low125 Ų125138.3 Ų138.381%0.81277%0.768SS**  trans-90.9161.2175.637.2-35.4000113.5
538S29.1Very low30Very low126 Ų126139.5 Ų139.588%0.88177%0.774SS**  trans-145.1151.4164.2-83.20000111.5
539S24.4Very low30Very low106 Ų106142.1 Ų142.174%0.74178%0.781SS**  trans-77.3157.2-169.355.70000114.2
540T30Very low29.9Very low141 Ų141145.4 Ų145.487%0.86579%0.793SS**  trans-136.2143.1154.5-55.90000109.4
541V24.5Very low29.8Very low112 Ų112143 Ų14368%0.67980%0.799SS**  trans-117.9141.1-174.6172.30000109.5T543V541-T543 HydrophobicContact CG1-CG2 3.89Å
542V30.4Very low29.5Very low146 Ų146143.1 Ų143.189%0.88580%0.802SS**  trans-135.8138.8162.7-175.50000108.7
543T27.7Very low29.5Very low108 Ų108143 Ų14366%0.66381%0.805SS**  trans-129.7141.7-170.751.60000112.8V541V541-T543 HydrophobicContact CG1-CG2 3.89Å
544N32Very low29.4Very low175 Ų175141 Ų14194%0.93680%0.803SS**  trans-173.3147.5151-88.6-30.4000107.3
545G32.8Very low29.4Very low63 Ų63142.8 Ų142.865%0.64981%0.813SS**  cis169.7144-8.300000111.3
546N33.3Very low29.4Very low153 Ų153141.9 Ų141.982%0.81881%0.806SS**  trans87.9144.2166.3-62.812.1000121.8
547D35.3Very low29.4Very low133 Ų133144.7 Ų144.771%0.71180%0.803SS**  trans77.858.8147.4-54.5-19.8000123.4
548N30.8Very low29.4Very low144 Ų144141.9 Ų141.977%0.7780%0.797SS**  21.6114.3120.3-58.2-49.8000120.7
549Q33.6Very low29.2Very low202 Ų202141.7 Ų141.794%0.94479%0.794SS**  -166.1157.1118.2-107.2167.661.400111.8
550Q26Very low29.2Very low191 Ų191143.2 Ų143.289%0.89380%0.799SS**  trans-122.7135-166.7-62.9176.5-12.500113.5
551V27.8Very low29Very low150 Ų150141.8 Ų141.891%0.90980%0.795SS**  trans-144152.2146.1-175.20000107.9
552Q27.5Very low29.1Very low186 Ų186142.4 Ų142.487%0.86980%0.798SS**  trans-96.4151.9-164.6-63.9157.5-57.700114.7
553I27.7Very low28.8Very low156 Ų156144.9 Ų144.980%0.880%0.797SS**  trans-131.9139.8166.6-59.4177.4000108.5
554P29.3Very low28.8Very low124 Ų124147.5 Ų147.581%0.80581%0.807SS**  trans-77139.7177.4-13.730.1000113.8
555N26.3Very low28.5Very low154 Ų154146.1 Ų146.182%0.82480%0.799SS**  trans-80154.8172-69.2-56.5000112.6
556K30.8Very low28.4Very low155 Ų155151.2 Ų151.267%0.67481%0.812SS**  -177.7123.2113.7-101.4175.2175.9-135.40115.5
557Y29.5Very low28Very low188 Ų188152.8 Ų152.874%0.73781%0.814SS**  trans63130.3157.8-44.1-52.1000118.1
558G28Very low27.7Very low66 Ų66150.2 Ų150.268%0.6882%0.819SS**  cis107.8135.24.600000112.2
559C26.2Very low27.5Very low123 Ų123150.8 Ų150.883%0.83182%0.82SS**  cis-140.8159.47.4-69.70000109.7
560V23.5Very low27Very low138 Ų138147.1 Ų147.184%0.83682%0.816SS**  cis86.299.427-178.50000114.8
561S25.9Very low27.1Very low111 Ų111142.7 Ų142.778%0.77681%0.806SS**  trans-151.394.5158.759.90000110.3
562V26.4Very low26.9Very low124 Ų124145.6 Ų145.675%0.75281%0.806SS**  78.8109.8107.61730000114.4
563F23.9Very low26.9Very low198 Ų198144.9 Ų144.987%0.86880%0.803SS**  trans-86.7151.4156.9-74.3-97.3000109.4
564L29.5Very low26.8Very low164 Ų164144.1 Ų144.186%0.85980%0.8SS**  trans-121.4143158-74.9172.6000108.4
565N24.6Very low26.8Very low145 Ų145144.5 Ų144.578%0.77580%0.795SS**  trans-95.7145.5176.1-54.8-29.2000108.9
566D29.9Very low26.7Very low171 Ų171143.7 Ų143.791%0.91479%0.79SS**  trans-136.4140.4151.4-92.2-50.7000108.3
567E26.3Very low26.6Very low186 Ų186143.6 Ų143.687%0.86980%0.797SS**  trans-89.6128.6-167-61.3-173.7137.400112.4
568G28.7Very low26.4Very low79 Ų79139.5 Ų139.581%0.81480%0.796SS**  trans-131.269.3-17700000112.9C570G568-C570 PolarHBondContact O-N 2.76Å
569I25.5Very low26.5Very low155 Ų155144.1 Ų144.180%0.79581%0.805SS**  trans-72.6117.6-177.1-57170.9000111
570C24.4Very low26.3Very low126 Ų126145.3 Ų145.385%0.85180%0.801SS**  trans-151.3141.2146.8-159.60000111.9G568G568-C570 PolarHBondContact O-N 2.76Å
571S27.4Very low26.4Very low98 Ų98146.2 Ų146.269%0.68580%0.8SS**  trans-91.3138.5-166.6-570000113.1Q573S571-Q573 PolarHBondContact O-N 3.22Å; S571-Q573 VanDerWaalsContact O-N 3.16Å
572K23.7Very low26.2Very low211 Ų211146.6 Ų146.692%0.91780%0.798SS**  trans-65.8110.9161.1-75.3-177.6176.2178.90109.6
573Q28.2Very low26.4Very low170 Ų170146.6 Ų146.679%0.79480%0.801SS**  trans-102.5119.2155.1-78.8-166-15.900109.3S571S571-Q573 PolarHBondContact O-N 3.22Å; S571-Q573 VanDerWaalsContact O-N 3.16Å
574N24.3Very low26.3Very low140 Ų140143.5 Ų143.575%0.74979%0.793SS**  trans-92.7112.4174.5-175.510.7000108.3
575I29.5Very low26.1Very low133 Ų133143.2 Ų143.268%0.68279%0.787SS**  trans-126.291.1175-56.3-178.6000108.4N577I575-N577 PolarHBondContact O-N 3.39Å
576N24.6Very low26.2Very low136 Ų136145.6 Ų145.673%0.72779%0.793SS**  trans-66.2124.5156.5-75.9-24.2000108.4
577N28.7Very low25.8Very low153 Ų153146 Ų14682%0.81878%0.783SS**  trans-158.2129.1139.7-106.6-31.5000111I575I575-N577 PolarHBondContact O-N 3.39Å
578S25.4Very low26Very low103 Ų103145 Ų14572%0.7278%0.784SS**  trans-65.1135.1171.351.50000110.8
579N29.1Very low25.9Very low163 Ų163148 Ų14887%0.87278%0.777SS**  trans-152.7136.5139.7-103.8-36.8000113.3
580I23Very low26Very low147 Ų147148 Ų14875%0.75478%0.778SS**  trans-59.1143.6176.6-62.8152.7000111
581I26.1Very low26.3Very low158 Ų158145.7 Ų145.781%0.8178%0.776SS**  trans-174.7130.9132.9-94148.9000109.6
582T21.6Very low26.3Very low119 Ų119149.6 Ų149.673%0.7378%0.781SS**  trans-106.7131.7168.1380000110.4
583P29.1Very low26.7Very low124 Ų124145.3 Ų145.381%0.80577%0.768SS**  trans-79.8131.7164.8-11.528.8000110.5
584N23.3Very low26.7Very low132 Ų132146.1 Ų146.171%0.70677%0.769SS**  trans-89.7151.5173.2-97.9-55.8000111.9
585Q24.2Very low26.9Very low158 Ų158144.3 Ų144.374%0.73876%0.759SS**  trans38124143.6-60.7175.5-17.900119.7
586H27.6Very low26.8Very low195 Ų195146.4 Ų146.490%0.90377%0.768SS**  -146137.6129.5-126.1-82.7000111.9
587Y22.1Very low26.9Very low181 Ų181148.5 Ų148.571%0.7177%0.767SS**  trans-76.9152.9175.5-92.2-113.1000111.7E589Y587-E589 HydrophobicContact CD1-CG 4.3Å
588N29.6Very low26.9Very low165 Ų165146.9 Ų146.988%0.88276%0.762SS**  -153.3153.9126.2-129.8-16000111.9
589E25.8Very low26.9Very low141 Ų141152.3 Ų152.366%0.65977%0.768SS**  trans-112.7167.7-170.9-59.4-178.2133.200113.4Y587Y587-E589 HydrophobicContact CD1-CG 4.3Å
590N28.3Very low26.8Very low155 Ų155147.7 Ų147.783%0.82976%0.759SS**  trans117.1128.2151.5-61.9-70.1000117.3
591G30.5Very low26.8Very low78 Ų78146.1 Ų146.180%0.80476%0.761SS**  trans150.493.9-179.600000110.4
592K28.2Very low27Very low180 Ų180147.6 Ų147.678%0.78377%0.765SS**  trans-116.2178.8-175.6-74.1-175.8176.71750112
593D32Very low27.2Very low121 Ų121148.6 Ų148.665%0.64777%0.766SS**  trans97.9123.5160.2-53.1-14.5000114.9
594F28.5Very low27.1Very low186 Ų186149.5 Ų149.582%0.81676%0.764SS**  cis-134.5149.2-9.5-67.5-85.5000109.3
595L27.7Very low27.1Very low102 Ų102147.9 Ų147.953%0.53476%0.763SS.*  cis94.375.97.4-145.1-171.7000117.8Y597L595-Y597 HydrophobicContact CD2-CD1 4.06Å; L595-Y597 HydrophobicContact CD2-CD2 3.79Å; L595-Y597 HydrophobicContact CD2-CE1 3.8Å; L595-Y597 HydrophobicContact CD2-CE2 3.51Å; L595-Y597 HydrophobicContact CD2-CG 4.07Å
596M26.6Very low27.2Very low177 Ų177146.5 Ų146.587%0.87277%0.765SS**  trans-156.2101.6149.9-155.8162.568.200109.5
597Y27.3Very low27.2Very low181 Ų181142.7 Ų142.771%0.7175%0.752SS**  71.2146.378.1-74.2-31.1000113.8L595L595-Y597 HydrophobicContact CD2-CD1 4.06Å; L595-Y597 HydrophobicContact CD2-CD2 3.79Å; L595-Y597 HydrophobicContact CD2-CE1 3.8Å; L595-Y597 HydrophobicContact CD2-CE2 3.51Å; L595-Y597 HydrophobicContact CD2-CG 4.07Å
598V28.1Very low27.4Very low118 Ų118141.5 Ų141.572%0.71575%0.75SS**  cis-162.9153.61.1106.80000106.4
599Y25.9Very low27.3Very low217 Ų217141.1 Ų141.185%0.85175%0.747SS**  cis-156.7-164.7-15.3-132.4-143.5000105.2
600G26.4Very low27.4Very low67 Ų67138 Ų13869%0.69174%0.741SS**  cis153135.93.700000108.7
601S25.1Very low27.8Very low113 Ų113136.7 Ų136.779%0.7973%0.734SS**  trans-112.7144.7-171.3-176.90000114
602Q30.2Very low27.8Very low189 Ų189139.3 Ų139.388%0.88373%0.73SS**  trans-144.8158.9163.1-76.8-154.30.400112.6
603N24.8Very low28.2Very low141 Ų141134.8 Ų134.875%0.75472%0.721SS**  trans-96-177.4-170.9-61.6-46.1000113.5
604N26.3Very low28.3Very low142 Ų142135.3 Ų135.376%0.75972%0.723SS**  trans88.6103.3155-59.7-16.3000118.8
605S24.7Very low28.4Very low99 Ų99137.9 Ų137.969%0.69273%0.728SS**  74.6132116-56.30000121.8
606T25.4Very low28.6Very low129 Ų129136.9 Ų136.979%0.79173%0.73SS**  trans72.9130.1145.346.10000120.9
607D27.1Very low28.7Very low114 Ų114137.9 Ų137.961%0.6173%0.729SS**  trans73.8101.8141.6-80.37.2000121.8
608K27.7Very low28.9Very low156 Ų156135.4 Ų135.468%0.67873%0.733SS**  88.1129.8113.2-77.9170.5-171.1148.30120.4
609L27.4Very low28.9Very low157 Ų157136.4 Ų136.482%0.82273%0.734SS**  trans70148.1145.5-61.6164.3000116.9
610S28Very low29.2Very low75 Ų75131.2 Ų131.252%0.52473%0.729SS.*  cis-168.2175.4-22.946.70000109
611D35Very low29.4Very low128 Ų128136.3 Ų136.368%0.68474%0.74SS**  trans70.2148.3157.5-54.5-51.1000117
612N31.7Very low29.5Very low134 Ų134138.8 Ų138.872%0.71774%0.743SS**  cis-163.7165.5-16.1-111.9-36.1000107.4
613S36.5Very low29.6Very low85 Ų85135.9 Ų135.959%0.59474%0.741SS**  cis-169150.514.539.30000112.2
614N33.3Very low29.6Very low131 Ų131133.1 Ų133.170%0.70174%0.738SS**  trans56.1151.6146.3-52.1-27.2000119.6
615W31.2Very low29.6Very low240 Ų240133.9 Ų133.991%0.90974%0.742SS**  cis-141.716818.9-7158.9000110.5
616S32.7Very low29.8Very low82 Ų82134.6 Ų134.657%0.57375%0.747SS**  cis-176.8123.5-47.355.60000111.8
617K28.3Very low29.7Very low198 Ų198134.8 Ų134.886%0.86175%0.747SS**  trans64163.9159.3-62.9-175.8172.6-177.70117.3
618T32.2Very low29.6Very low128 Ų128134.7 Ų134.779%0.78576%0.756SS**  cis-128.6161.49.345.20000114.6
619D27.5Very low29.5Very low139 Ų139131.5 Ų131.574%0.74376%0.759SS**  trans-68.6159.5-177.5-39.8-102.8000116.1
620S31.8Very low29.4Very low108 Ų108131.6 Ų131.676%0.75576%0.758SS**  178.1118.2112.837.30000117.3
621L30.4Very low29.2Very low174 Ų174134 Ų13491%0.91177%0.765SS**  trans74.9149.8140.4-57.2174.5000123.5
622L27.1Very low28.8Very low165 Ų165135.3 Ų135.386%0.86477%0.767SS**  trans-115-169.3-177.8-63.6157.9000109.1
623P31.9Very low28.7Very low129 Ų129134 Ų13484%0.83877%0.769SS**  cis-130.5-163.3-10.229.5-4.6000113.5
624A26.6Very low28.3Very low82 Ų82136.7 Ų136.768%0.67878%0.775SS**  trans-89.6158.5-17700000115.9
625N26.4Very low28Very low159 Ų159136 Ų13685%0.8578%0.776SS**  trans171.4165.8134.7-89.8-26.5000113.8
626S28.4Very low27.9Very low113 Ų113129.8 Ų129.879%0.7977%0.769SS**  trans65132.8-179.363.40000116.1
627V23.1Very low27.8Very low133 Ų133135 Ų13581%0.80678%0.784SS**  cis96.8106.728.9176.80000113.7
628S24.2Very low27.8Very low113 Ų113132.9 Ų132.979%0.7978%0.781SS**  trans52.7102.5160.7660000121.4
629A25.9Very low27.6Very low89 Ų89134.1 Ų134.174%0.73678%0.783SS**  trans-162.3116.1145.800000107.9
630I25.4Very low27.6Very low159 Ų159138.5 Ų138.582%0.81579%0.789SS**  78106.381.4-64.8161000113.8
631N24.7Very low27.4Very low125 Ų125141.9 Ų141.967%0.66879%0.79SS**  trans55.3141.7148.3-70.132.5000124.6
632E26.3Very low27.1Very low156 Ų156141 Ų14173%0.72979%0.787SS**  trans65.7100.3138.6-70162.8-123.500121.6
633S30.1Very low27.1Very low107 Ų107140.3 Ų140.375%0.74878%0.784SS**  trans-155.9101.6131.8-162.70000107.9
634L26.6Very low27Very low140 Ų140141.2 Ų141.273%0.73378%0.781SS**  65.2139.879.8-59.8163000113.8
635T27.5Very low27.1Very low117 Ų117143.2 Ų143.272%0.71879%0.785SS**  cis-168.1118.3-22.6-89.20000108.1
636S29.4Very low27.2Very low109 Ų109143 Ų14376%0.76278%0.782SS**SBendtrans-174.499.2159.9440000113.5
637H31Very low27.2Very low191 Ų191144.3 Ų144.388%0.88478%0.775SS**  trans175.58.6139.7-111.4-89.2000115N639H637-N639 PolarHBondContact O-N 3.39Å
638I28.6Very low27.3Very low155 Ų155147.9 Ų147.980%0.79577%0.774SS**  trans-73123.4172.8-56.4173.9000110
639N27.1Very low27.6Very low154 Ų154151.8 Ų151.882%0.82478%0.78SS**  trans166.9107.9137-88-25.6000111H637H637-N639 PolarHBondContact O-N 3.39Å
640W28.4Very low27.7Very low230 Ų230156.1 Ų156.187%0.87179%0.785SS**SBendtrans-156.6-45.6134.7-1567000114.9
641F26.1Very low27.9Very low180 Ų180156.9 Ų156.979%0.78979%0.786SS**  trans-115.587.3-170.6-86.3-82.3000114.2
642D25.2Very low28Very low155 Ų155159.5 Ų159.583%0.82979%0.794SS**  trans-152.793.8161.9-131.4-22000109.8
643N27.1Very low28.2Very low150 Ų150161.4 Ų161.480%0.80280%0.803SS**  trans-173.2155.9161.5-118.7-80.2000113.2
644L29.4Very low28.1Very low149 Ų149164.1 Ų164.178%0.7881%0.808SS**  trans66.3123.4171.4-58.8173.9000117.1
645T29.3Very low28.3Very low124 Ų124162.4 Ų162.476%0.76181%0.805SS**  cis-152145.9-16.5-28.30000111.9
646I27.2Very low28.4Very low154 Ų154164.2 Ų164.279%0.7981%0.807SS**  trans-66134.7169.8-53.2154.2000110.5
647Q28.1Very low28.2Very low140 Ų140165.6 Ų165.665%0.65481%0.806SS**  176.5131.9117.5-95.1-170.926.400115.4
648R26.5Very low28.2Very low208 Ų208165.1 Ų165.179%0.78580%0.803SS**  trans45.9124143.3-63.3-174.4-74.3166-3.1119.9
649E30.3Very low27.9Very low195 Ų195163.1 Ų163.191%0.91180%0.802SS**  -152.9150.2101.8-110.4164-162.900112
650Q26.5Very low28Very low181 Ų181163 Ų16385%0.84681%0.807SS**  trans-141.5169.3175.7-95.3-167.4-3100107.7
651E30.5Very low27.9Very low175 Ų175157.2 Ų157.282%0.81880%0.801SS**  trans71.6103.3178.3-49.3-172.5149.700113
652Q27.4Very low28Very low179 Ų179153.4 Ų153.484%0.83680%0.797SS**  58.8100.971.5-62.1-170.711.400114.7
653Q30.9Very low28.2Very low197 Ų197153.5 Ų153.592%0.92179%0.793SS**  -159.7147.7125.9-111.5149.694.500113.4
654L26.3Very low28.5Very low163 Ų163153.1 Ų153.185%0.85379%0.79SS**  trans-97.8-168.1174.2-69.4152.2000108.9
655P32Very low28.6Very low105 Ų105153 Ų15368%0.68279%0.786SS**  -117.6-165.7-7638.3-23.6000109.8
656M30Very low28.8Very low155 Ų155156 Ų15676%0.76479%0.79SS**  173.1151.8121.6-93.7-62-78.400114.6
657L25.3Very low28.8Very low138 Ų138153.7 Ų153.772%0.72378%0.784SS**  trans-62.2150.9176.9-58.7155.6000113.5
658H30.2Very low28.9Very low181 Ų181154 Ų15484%0.83879%0.787SS**  -165.9154.4109.6-118.8-90.4000113.7
659C21.8Very low29Very low113 Ų113149.1 Ų149.176%0.76478%0.777SS**  trans-111.9152.6174.1-62.60000111.3
660T30.3Very low28.9Very low152 Ų152149.3 Ų149.393%0.93377%0.77SS**  trans-154.4162.1155.416.30000109.8
661S25.2Very low28.9Very low107 Ų107145.3 Ų145.375%0.74876%0.762SS**  trans-136.8-174.6-161.256.50000113.8
662S29.4Very low28.9Very low101 Ų101141.6 Ų141.671%0.70676%0.756SS**  trans79.3150.2168.890.20000115.8
663E29Very low28.9Very low157 Ų157140.1 Ų140.173%0.73475%0.754SS**  cis-165.1-171.5-15.3-124161-154.100111.3
664N33.4Very low29Very low141 Ų141139.3 Ų139.375%0.75476%0.755SS**  trans90100.8176.5-49.8-67.6000115.1
665H30.3Very low29Very low148 Ų148136 Ų13669%0.68575%0.746SS**  72.8101.668.8-74.1-72000114.8
666H33.5Very low28.9Very low185 Ų185137.3 Ų137.386%0.85675%0.747SS**  -162.4143.797.2-107.1-77.5000112.6
667T27.2Very low28.7Very low107 Ų107138.9 Ų138.966%0.65675%0.746SS**  trans-97.6166.6177.245.80000110.4
668M30.1Very low28.8Very low146 Ų146139.4 Ų139.472%0.71974%0.744SS**  -172.615660.7-92.8-60.6-160.800113.2
669N29Very low28.6Very low106 Ų106137 Ų13757%0.56773%0.733SS**  trans65.1144.2147.3-64.1-11000118.9
670Y29.2Very low28.8Very low198 Ų198140.5 Ų140.578%0.77673%0.732SS**  cis-165.1166.14-109-23.1000108.6
671S26.8Very low28.6Very low97 Ų97140.2 Ų140.268%0.67872%0.724SS**  cis-166.4-158.6-8.6-163.10000110.2
672S30.9Very low28.7Very low97 Ų97141.8 Ų141.868%0.67872%0.723SS**  trans70.590.4158.766.80000121.5
673N27.4Very low28.7Very low149 Ų149146.4 Ų146.480%0.79773%0.734SS**  63.8109126.4-56.9-6.7000121.4
674L31.9Very low28.6Very low179 Ų179146 Ų14694%0.93773%0.732SS**  -148.8129.6112.2-141.174000112.2
675S27Very low28.4Very low95 Ų95145.3 Ų145.366%0.66474%0.738SS**  trans-109.6164.7177.848.20000109.4
676N28.9Very low28.2Very low132 Ų132144.9 Ų144.971%0.70674%0.74SS**  cis-164.31499.6-122.41.1000110.6
677Y26.4Very low27.8Very low188 Ų188144.1 Ų144.174%0.73774%0.741SS**  trans64.6131154.4-74.2-118.1000118.8
678H27.1Very low27.8Very low149 Ų149144.8 Ų144.869%0.6975%0.751SS**  70.814057.7-72-68.6000114.4
679Q26.1Very low27.7Very low131 Ų131142.8 Ų142.861%0.61275%0.751SS**  cis-168.9-179.3-14.9179.9156.1-50.300108.6
680Y25.2Very low27.7Very low186 Ų186143.3 Ų143.373%0.72976%0.76SS**  trans88.4137.4169.2-58.4-87.2000114.9
681D27.8Very low27.6Very low145 Ų145141.7 Ų141.778%0.77577%0.765SS**  cis-140167.85.8-129.2-36.4000115.3
682L26.8Very low27.6Very low140 Ų140143 Ų14373%0.73377%0.768SS**  trans-122.5119.3-177.9-105.9162.3000110
683E29.5Very low27.4Very low198 Ų198147.6 Ų147.693%0.92577%0.772SS**  trans-139.5139151.9-79.7-146.4137.800111.9
684H26.9Very low27.4Very low149 Ų149152 Ų15269%0.6978%0.779SS**  trans-90.3143.5171.8-87.4-111.3000110.3
685S29.1Very low27.2Very low126 Ų126151.7 Ų151.788%0.88177%0.773SS**  trans-145133.9147.2-83.80000109.5
686L24.9Very low27.2Very low139 Ų139153.5 Ų153.573%0.72877%0.774SS**  trans-105.4173.1-167.6-69.7164.7000111.4
687L25.1Very low27.2Very low170 Ų170151.6 Ų151.689%0.8976%0.764SS**  trans7581.5161.7-55.9129.6000117.3
688S28.5Very low27.3Very low121 Ų121150.4 Ų150.485%0.84677%0.768SS**  -161.9126.5115.7-164.90000111.5
689S28Very low27.6Very low103 Ų103151 Ų15172%0.7276%0.764SS**  trans-135.4145.3173.8-55.80000106.7
690P27.6Very low27.7Very low117 Ų117148.6 Ų148.676%0.7676%0.762SS**  -147.3139.175.136.8-18.6000116.3
691N28.1Very low27.9Very low165 Ų165147.2 Ų147.288%0.88277%0.768SS**  trans-170.579.8137.8-102.8-24.4000109.3
692V26.8Very low28.3Very low124 Ų124147.9 Ų147.975%0.75276%0.759SS**  trans-126.265.3-179.7-172.20000109.2
693Y25.7Very low28.6Very low194 Ų194146.9 Ų146.976%0.76175%0.751SS**  trans-166.793.1167.3-98.1-67.9000109.2
694Y27.8Very low28.7Very low240 Ų240143.4 Ų143.494%0.94174%0.739SS**SBendtrans-176.137154-100.9-57.8000112.7
695E28.2Very low29Very low174 Ų174144.2 Ų144.281%0.81374%0.737SS**  trans-138.556174.7-154.4168.5-149.100111.4
696I26.5Very low29.3Very low133 Ų133146.3 Ų146.368%0.68273%0.726SS**  trans-85.8119.8160.3-65.2177.1000106.6I698I696-I698 PolarHBondContact O-N 3.15Å
697D28.7Very low29.7Very low91 Ų91144.5 Ų144.549%0.48772%0.717SS.*  trans-55.6132.5-178.7-85.7-74.5000111.6W699D697-W699 HydrophobicContact CB-CB 3.98Å; D697-W699 HydrophobicContact CB-CG 4.12Å; D697-W699 PolarHBondContact O-N 3.5Å
698I29.7Very low30Very low163 Ų163139.1 Ų139.184%0.83669%0.693SS**THydrogen-bonded Turntrans-75.453.4170.1-45.1176000109.7I696I696-I698 PolarHBondContact O-N 3.15Å
699W31.7Very low30.5Very low161 Ų161138.2 Ų138.261%0.6168%0.676SS**THydrogen-bonded Turntrans-124.7-15.3-172.4-8048.8000113.9D697 Q703D697-W699 HydrophobicContact CB-CB 3.98Å; D697-W699 HydrophobicContact CB-CG 4.12Å; D697-W699 PolarHBondContact O-N 3.5Å; W699-Q703 PolarHBondContact O-NE2 2.68Å; W699-Q703 VanDerWaalsContact O-NE2 3.11Å
700S29.1Very low31.1Very low81 Ų81137.4 Ų137.457%0.56667%0.667SS**SBendtrans-85.5-62.9176.5-61.60000112.3R702 Q703S700-R702 PolarHBondContact O-N 3.17Å; S700-Q703 PolarHBondContact O-N 3.23Å
701D29.9Very low31.7Very low158 Ų158137 Ų13785%0.84566%0.657SS**THydrogen-bonded Turntrans-63.63.4-166.6-54.80.8000116.1
702R35.6Very low32.2Very low159 Ų159133.8 Ų133.860%0.664%0.64SS**THydrogen-bonded Turntrans-116.7-1177.6-123.9173.8178.8177.8-2.2114.4S700S700-R702 PolarHBondContact O-N 3.17Å
703Q32.6Very low33Very low119 Ų119133.4 Ų133.456%0.55663%0.63SS**Hα-helixtrans-82.2-40.8177.1-63.6-16814.100112.5W699 S700 Y705 Y706 L707W699-Q703 PolarHBondContact O-NE2 2.68Å; W699-Q703 VanDerWaalsContact O-NE2 3.11Å; S700-Q703 PolarHBondContact O-N 3.23Å; Q703-Y705 VanDerWaalsContact C-N 3.29Å; Q703-Y705 PolarHBondContact O-N 2.61Å; Q703-Y706 PolarHBondContact O-N 3.36Å; Q703-L707 PolarHBondContact O-N 3.49Å; Q703-L707 VanDerWaalsContact O-N 3.1Å
704D31.9Very low33.6Very low124 Ų124127.3 Ų127.366%0.66362%0.616SS**Hα-helixtrans-62-35.7-178.2-64-32.3000112.8L707 S708D704-L707 PolarHBondContact O-N 3.44Å; D704-S708 PolarHBondContact O-N 3.21Å
705Y34Very low34.2Very low166 Ų166122.2 Ų122.265%0.65160%0.596SS**Hα-helixtrans-64.9-44.1177.7-146.1-87.1000111.8Q703 L707 S708 E709Q703-Y705 VanDerWaalsContact C-N 3.29Å; Q703-Y705 PolarHBondContact O-N 2.61Å; Y705-L707 PolarHBondContact O-N 3.1Å; Y705-S708 WeakPolarHBondContact O-CB 3.37Å; Y705-S708 PolarHBondContact O-N 2.86Å; Y705-S708 VanDerWaalsContact O-N 3.15Å; Y705-S708 PolarHBondContact O-OG 3.39Å; Y705-E709 PolarHBondContact O-N 3.36Å
706Y34.4Very low35Very low170 Ų170117.9 Ų117.967%0.66758%0.578SS**Hα-helixtrans-69.4-32.3179.5-115.1-92.2000112.7Q703 V710Q703-Y706 PolarHBondContact O-N 3.36Å; Y706-V710 WeakPolarHBondContact O-CG2 3.49Å; Y706-V710 PolarHBondContact O-N 3.15Å
707L34.6Very low36.2Very low102 Ų102117.3 Ų117.353%0.53457%0.571SS.*Hα-helixtrans-65.7-38.7170.3-85.3160.6000111.6Q703 D704 Y705 I711Q703-L707 PolarHBondContact O-N 3.49Å; Q703-L707 VanDerWaalsContact O-N 3.1Å; D704-L707 PolarHBondContact O-N 3.44Å; Y705-L707 PolarHBondContact O-N 3.1Å; L707-I711 WeakPolarHBondContact O-CB 3.26Å; L707-I711 WeakPolarHBondContact O-CD1 3.4Å; L707-I711 WeakPolarHBondContact O-CG1 3.19Å; L707-I711 PolarHBondContact O-N 2.71Å
708S31Very low37Very low56 Ų56119.4 Ų119.439%0.39258%0.578SS.*Hα-helixtrans-64-43-179.481.50000113.1D704 Y705 N712D704-S708 PolarHBondContact O-N 3.21Å; Y705-S708 WeakPolarHBondContact O-CB 3.37Å; Y705-S708 PolarHBondContact O-N 2.86Å; Y705-S708 VanDerWaalsContact O-N 3.15Å; Y705-S708 PolarHBondContact O-OG 3.39Å; S708-N712 WeakPolarHBondContact O-CB 3.32Å; S708-N712 PolarHBondContact O-N 3.3Å
709E38.5Very low37.6Very low102 Ų102115 Ų11548%0.47755%0.554SS.*Hα-helixtrans-69.3-43.8179.5-68.9-174.9121.500112.2Y705 I711 N712 E713Y705-E709 PolarHBondContact O-N 3.36Å; E709-I711 VanDerWaalsContact C-N 3.32Å; E709-I711 PolarHBondContact O-N 3.27Å; E709-N712 PolarHBondContact O-N 3.01Å; E709-E713 PolarHBondContact O-N 3.18Å
710V41Very low38.4Very low87 Ų87114.6 Ų114.653%0.52756%0.558SS.*Hα-helixtrans-67.2-34-180175.20000111.8Y706 S714Y706-V710 WeakPolarHBondContact O-CG2 3.49Å; Y706-V710 PolarHBondContact O-N 3.15Å; V710-S714 WeakPolarHBondContact O-CB 3.36Å; V710-S714 PolarHBondContact O-N 3.07Å; V710-S714 VanDerWaalsContact O-N 3.16Å; V710-S714 PolarHBondContact O-OG 3.42Å
711I40.6Very low39.2Very low108 Ų108119 Ų11955%0.55457%0.567SS**Hα-helixtrans-70.1-43.1173-68.7168.7000110.5L707 E709 S714 Y715L707-I711 WeakPolarHBondContact O-CB 3.26Å; L707-I711 WeakPolarHBondContact O-CD1 3.4Å; L707-I711 WeakPolarHBondContact O-CG1 3.19Å; L707-I711 PolarHBondContact O-N 2.71Å; E709-I711 VanDerWaalsContact C-N 3.32Å; E709-I711 PolarHBondContact O-N 3.27Å; I711-S714 PolarHBondContact O-N 3.44Å; I711-Y715 WeakPolarHBondContact O-CB 3.42Å; I711-Y715 PolarHBondContact O-N 3.03Å
712N38.7Very low39.8Very low97 Ų97118.1 Ų118.152%0.51956%0.562SS.*Hα-helixtrans-63.5-44.1176.7-107.8-14.5000112.7S708 E709 S714 Y715 N716S708-N712 WeakPolarHBondContact O-CB 3.32Å; S708-N712 PolarHBondContact O-N 3.3Å; E709-N712 PolarHBondContact O-N 3.01Å; N712-S714 VanDerWaalsContact C-N 3.3Å; N712-S714 PolarHBondContact O-N 2.75Å; N712-Y715 PolarHBondContact O-N 2.99Å; N712-N716 WeakPolarHBondContact O-CB 3.21Å; N712-N716 VanDerWaalsContact O-CG 3.25Å; N712-N716 PolarHBondContact O-N 3.07Å; N712-N716 PolarHBondContact O-ND2 3.25Å
713E41.7Very low40Very low116 Ų116117 Ų11754%0.54257%0.567SS.*Hα-helixtrans-59.5-42.2174.4-83.4-147.4166.200111.9E709 K717E709-E713 PolarHBondContact O-N 3.18Å; E713-K717 WeakPolarHBondContact O-CB 3.32Å; E713-K717 VanDerWaalsContact O-CD 3.32Å; E713-K717 WeakPolarHBondContact O-CD 3.37Å; E713-K717 WeakPolarHBondContact O-CG 3.35Å; E713-K717 PolarHBondContact O-N 2.83Å; E713-K717 IonicContact OE2-NZ 2.61Å; E713-K717 PolarHBondContact OE2-NZ 3.3Å
714S39.9Very low40.2Very low67 Ų67115.8 Ų115.847%0.46957%0.572SS.*Hα-helixtrans-67-45179.7-580000111.2V710 I711 N712 K717 E718V710-S714 WeakPolarHBondContact O-CB 3.36Å; V710-S714 PolarHBondContact O-N 3.07Å; V710-S714 VanDerWaalsContact O-N 3.16Å; V710-S714 PolarHBondContact O-OG 3.42Å; I711-S714 PolarHBondContact O-N 3.44Å; N712-S714 VanDerWaalsContact C-N 3.3Å; N712-S714 PolarHBondContact O-N 2.75Å; S714-K717 PolarHBondContact O-N 3.29Å; S714-E718 PolarHBondContact O-N 3.16Å; S714-E718 VanDerWaalsContact O-N 3.1Å
715Y40.9Very low40.4Very low132 Ų132116.3 Ų116.352%0.51858%0.582SS.*Hα-helixtrans-62.7-44178.1-173.7-100.9000112.2I711 N712 E718 Q719I711-Y715 WeakPolarHBondContact O-CB 3.42Å; I711-Y715 PolarHBondContact O-N 3.03Å; N712-Y715 PolarHBondContact O-N 2.99Å; Y715-E718 PolarHBondContact O-N 3.07Å; Y715-Q719 HydrophobicContact CD1-CG 4.1Å; Y715-Q719 HydrophobicContact CE1-CG 3.85Å; Y715-Q719 WeakPolarHBondContact O-CG 3.42Å; Y715-Q719 PolarHBondContact O-N 3.23Å; Y715-Q719 PolarHBondContact OH-NE2 3.1Å; Y715-Q719 VanDerWaalsContact OH-NE2 3.12Å
716N44.3Very low40.3Very low84 Ų84114.2 Ų114.245%0.44959%0.592SS.*Hα-helixtrans-66.2-39177.2-69.7-27.6000111.9N712 E718 Q719 E720N712-N716 WeakPolarHBondContact O-CB 3.21Å; N712-N716 VanDerWaalsContact O-CG 3.25Å; N712-N716 PolarHBondContact O-N 3.07Å; N712-N716 PolarHBondContact O-ND2 3.25Å; N716-E718 PolarHBondContact O-N 3.09Å; N716-Q719 PolarHBondContact O-N 3.43Å; N716-E720 PolarHBondContact O-N 2.86Å
717K50.5Low40.5Very low120 Ų120111.4 Ų111.452%0.52260%0.597SS.*Hα-helixtrans-67.5-19.5174.9-73.4164.7-174165.50113.7E713 S714E713-K717 WeakPolarHBondContact O-CB 3.32Å; E713-K717 VanDerWaalsContact O-CD 3.32Å; E713-K717 WeakPolarHBondContact O-CD 3.37Å; E713-K717 WeakPolarHBondContact O-CG 3.35Å; E713-K717 PolarHBondContact O-N 2.83Å; E713-K717 IonicContact OE2-NZ 2.61Å; E713-K717 PolarHBondContact OE2-NZ 3.3Å; S714-K717 PolarHBondContact O-N 3.29Å
718E45.7Very low40.6Very low136 Ų136111.7 Ų111.764%0.63661%0.607SS**Hα-helixtrans-86.6-38.9167.5-68.8-157.2131.100112.7S714 Y715 N716 K721 L722S714-E718 PolarHBondContact O-N 3.16Å; S714-E718 VanDerWaalsContact O-N 3.1Å; Y715-E718 PolarHBondContact O-N 3.07Å; N716-E718 PolarHBondContact O-N 3.09Å; E718-K721 VanDerWaalsContact O-CB 3.31Å; E718-K721 WeakPolarHBondContact O-CB 3.31Å; E718-K721 PolarHBondContact O-N 3.33Å; E718-K721 VanDerWaalsContact O-N 3.11Å; E718-L722 WeakPolarHBondContact O-CG 3.33Å; E718-L722 PolarHBondContact O-N 3.22Å
719Q44Very low41Very low71 Ų71114.4 Ų114.433%0.33263%0.626SS.*Hα-helixtrans-60.8-46.6176.1-73.4-73.9-13.600112.5Y715 N716 K721 L722 L723Y715-Q719 HydrophobicContact CD1-CG 4.1Å; Y715-Q719 HydrophobicContact CE1-CG 3.85Å; Y715-Q719 WeakPolarHBondContact O-CG 3.42Å; Y715-Q719 PolarHBondContact O-N 3.23Å; Y715-Q719 PolarHBondContact OH-NE2 3.1Å; Y715-Q719 VanDerWaalsContact OH-NE2 3.12Å; N716-Q719 PolarHBondContact O-N 3.43Å; Q719-K721 PolarHBondContact O-N 3.33Å; Q719-L722 PolarHBondContact O-N 2.95Å; Q719-L723 PolarHBondContact O-N 2.92Å
720E46.7Very low40.9Very low152 Ų152114.8 Ų114.871%0.7164%0.64SS**Hα-helixtrans-59.6-28.9174.8-71.7-172.1141.400112.4N716 L722N716-E720 PolarHBondContact O-N 2.86Å; E720-L722 VanDerWaalsContact C-N 3.3Å; E720-L722 PolarHBondContact O-N 3.22Å
721K45.8Very low40.8Very low173 Ų173115.4 Ų115.475%0.75265%0.649SS**Hα-helixtrans-78.8-13.4179.2-146.1175-173178.70113.6E718 Q719E718-K721 VanDerWaalsContact O-CB 3.31Å; E718-K721 WeakPolarHBondContact O-CB 3.31Å; E718-K721 PolarHBondContact O-N 3.33Å; E718-K721 VanDerWaalsContact O-N 3.11Å; Q719-K721 PolarHBondContact O-N 3.33Å
722L42.7Very low40.6Very low140 Ų140115.7 Ų115.773%0.73366%0.66SS**Hα-helixtrans-103.9-7.2177.3-66170.9000112.8E718 Q719 E720E718-L722 WeakPolarHBondContact O-CG 3.33Å; E718-L722 PolarHBondContact O-N 3.22Å; Q719-L722 PolarHBondContact O-N 2.95Å; E720-L722 VanDerWaalsContact C-N 3.3Å; E720-L722 PolarHBondContact O-N 3.22Å
723L40Very low40.6Very low134 Ų134115.9 Ų115.970%0.70267%0.669SS**  trans-12055.1-171.9-71.3169.5000113.2Q719Q719-L723 PolarHBondContact O-N 2.92Å
724S37.7Very low40.5Very low94 Ų94115.9 Ų115.966%0.65768%0.682SS**  trans-128.9125.5170.760.10000111.8
725P36Very low40.8Very low135 Ų135118.4 Ų118.488%0.87770%0.696SS**  trans-80.5132.6-169.931.2-35.1000113.2
726S31.6Very low41.2Very low123 Ų123117.2 Ų117.286%0.8671%0.705SS**  trans-95.6120.6179510000112.8
727S39Very low40.9Very low110 Ų110119.1 Ų119.177%0.76972%0.719SS**  trans-11193.2-17942.90000113.2
728S36.7Very low40.3Very low108 Ų108120.7 Ų120.776%0.75573%0.733SS**  trans35.8116.414360.80000120.9
729S38.6Very low39.8Very low113 Ų113119.1 Ų119.179%0.7974%0.737SS**  -172.8125.6111.7300000115
730S37.2Very low39.5Very low110 Ų110120.5 Ų120.577%0.76975%0.754SS**  trans3.6146.9137.147.10000119.9
731S38Very low39.1Very low101 Ų101121.7 Ų121.771%0.70676%0.76SS**  cis-172.1168.216.136.60000113.5
732S38Very low38.5Very low113 Ų113120 Ų12079%0.7976%0.759SS**  trans65146158.748.40000118.9
733S38.6Very low38.3Very low102 Ų102119 Ų11971%0.71376%0.76SS**  cis-163.6131-10.948.40000114.1
734S39.4Very low37.8Very low115 Ų115119.5 Ų119.580%0.80476%0.763SS**  trans75.3137.6140.1-55.40000122.7
735P46Very low37.8Very low120 Ų120120.1 Ų120.178%0.77977%0.767SS**  trans-117.1-137175.641.4-23.4000110.3
736P48.4Very low37.7Very low108 Ų108118.8 Ų118.870%0.70176%0.761SS**  cis-134.8-141.3-19.934.6-10.5000113.6
737V39.4Very low37.9Very low123 Ų123117.6 Ų117.675%0.74575%0.753SS**  trans92.9139.1164.5-178.10000115.2
738L37.9Very low37.6Very low153 Ų153117.2 Ų117.280%0.80175%0.75SS**  cis-136.3166.412.4-143.7140.8000113.5
739S33.9Very low37.2Very low103 Ų103121.5 Ų121.572%0.7276%0.756SS**  trans-55174.8177.5-32.40000116.5
740S38.7Very low36.7Very low101 Ų101121.8 Ų121.871%0.70675%0.752SS**  cis-161.2-177.122.452.50000109.8
741Q36.8Very low36.2Very low177 Ų177122.3 Ų122.383%0.82776%0.756SS**  cis-142.9-175.118.3-61.4-177.5-1.400112.6
742L34.1Very low35.7Very low138 Ų138122.7 Ų122.772%0.72376%0.759SS**  trans-154161.8173.4-96.7142.3000106.5L744L742-L744 HydrophobicContact CD2-CD1 3.91Å; L742-L744 HydrophobicContact CD2-CG 3.82Å
743P38.3Very low35.2Very low119 Ų119125 Ų12577%0.77376%0.761SS**  -138.3168.661.324.90.2000114.4
744L30.5Very low34.7Very low144 Ų144127.3 Ų127.375%0.75477%0.765SS**  cis84.3107.331.4-80.7168.8000117.2L742L742-L744 HydrophobicContact CD2-CD1 3.91Å; L742-L744 HydrophobicContact CD2-CG 3.82Å
745S35.9Very low34.2Very low106 Ų106129.3 Ų129.374%0.74177%0.767SS**  trans-158.7111148.756.30000112.1
746S34.8Very low33.4Very low107 Ų107135.4 Ų135.475%0.74878%0.775SS**  trans48139.113159.20000122
747S35.6Very low32.5Very low98 Ų98137.9 Ų137.969%0.68578%0.782SS**  cis-174.1158.5-1.8460000112.1
748S33.1Very low32.2Very low103 Ų103139 Ų13972%0.7278%0.783SS**  trans51.2142.914360.40000121.9
749F27.6Very low31.9Very low198 Ų198139.5 Ų139.587%0.86878%0.784SS**  cis-171.3141.1-19.1-151.1-108.1000106.9
750V28.1Very low31.9Very low118 Ų118142.4 Ų142.472%0.71579%0.79SS**  trans32112.3162.2-178.80000119.5
751S28.2Very low31.5Very low121 Ų121143.3 Ų143.385%0.84680%0.797SS**  trans-165.9159.8133.1-84.80000112.6
752S27Very low31.4Very low110 Ų110141 Ų14177%0.76980%0.795SS**  trans-35.7143.6-168.7-57.70000121.4
753L26.8Very low31.3Very low162 Ų162139.8 Ų139.885%0.84880%0.796SS**  18.2146.4126.5-67.7159.6000120.5
754N27.4Very low31Very low149 Ų149139.7 Ų139.780%0.79780%0.795SS**  trans72.997.2-179.6-65.1-3.4000115.8
755D29Very low31Very low157 Ų157138.5 Ų138.584%0.8480%0.796SS**  -178.5110.6118.2-99.1-16.2000112.1
756R30Very low30.8Very low249 Ų249141.4 Ų141.494%0.9480%0.8SS**  trans167.189.3150.5-96.3159.8177.1165.30.9112
757N29Very low30.4Very low159 Ų159142.7 Ų142.785%0.8580%0.803SS**  trans-148.899161.3-103.1-23.8000108.7
758N33.8Very low30.2Very low146 Ų146142.3 Ų142.378%0.78179%0.792SS**  trans168.4148166.3-95.7-32.2000108.3
759M32.4Very low29.9Very low165 Ų165143.1 Ų143.181%0.81379%0.789SS**  cis-116.8126.30.6-53.4-117.478.600109.9
760L33.3Very low30Very low163 Ų163139.7 Ų139.785%0.85378%0.779SS**  trans-125.6127.1160.2-166.172.4000106.5T762L760-T762 PolarHBondContact O-N 2.93Å; L760-T762 VanDerWaalsContact O-N 3.09Å
761S30.3Very low30.2Very low121 Ų121141.1 Ų141.185%0.84678%0.778SS**  trans-71.5104.4-164.453.10000112.7
762T33.9Very low30.2Very low128 Ų128140.7 Ų140.779%0.78577%0.766SS**PPolyproline II helixtrans-81.2147.5170.245.10000111.6L760L760-T762 PolarHBondContact O-N 2.93Å; L760-T762 VanDerWaalsContact O-N 3.09Å
763P33.2Very low30.3Very low113 Ų113141 Ų14173%0.73476%0.757SS**PPolyproline II helixtrans-69.9156.8168.631.2-34.6000110.9
764P30.9Very low30.3Very low117 Ų117143 Ų14376%0.7676%0.755SS**PPolyproline II helixtrans-71145.8-176.629.4-35.5000112.3M766P764-M766 PolarHBondContact O-N 2.87Å
765P29.8Very low30.4Very low119 Ų119143 Ų14377%0.77375%0.751SS**PPolyproline II helixtrans-69.6116172.929.1-33.2000109.9T767P765-T767 PolarHBondContact O-N 3.19Å
766M31.9Very low30.4Very low166 Ų166142.3 Ų142.382%0.81875%0.745SS**  trans-8392.3175.1-167-178.4-61.500109.6P764 I768P764-M766 PolarHBondContact O-N 2.87Å; M766-I768 VanDerWaalsContact C-N 3.29Å; M766-I768 HydrophobicContact CG-CG1 4.22Å; M766-I768 PolarHBondContact O-N 3.4Å; M766-I768 HydrophobicContact SD-CD1 4.39Å; M766-I768 HydrophobicContact SD-CG1 4.41Å
767T28.2Very low30.5Very low134 Ų134137.3 Ų137.382%0.82274%0.737SS**  trans-69.181.9178.8-49.20000111.3P765 N769P765-T767 PolarHBondContact O-N 3.19Å; T767-N769 PolarHBondContact O-N 3.49Å
768I30.6Very low30.4Very low90 Ų90138.8 Ų138.846%0.46273%0.732SS.*  trans-72.3114171-64176.9000108.2M766 L770M766-I768 VanDerWaalsContact C-N 3.29Å; M766-I768 HydrophobicContact CG-CG1 4.22Å; M766-I768 PolarHBondContact O-N 3.4Å; M766-I768 HydrophobicContact SD-CD1 4.39Å; M766-I768 HydrophobicContact SD-CG1 4.41Å; I768-L770 HydrophobicContact CG2-CD2 4.43Å; I768-L770 PolarHBondContact O-N 3.04Å; I768-L770 VanDerWaalsContact O-N 3.07Å
769N27.2Very low30.2Very low120 Ų120140.2 Ų140.264%0.64273%0.734SS**  trans-73.498.3175.2-174.9-7.4000109.7T767 Q771T767-N769 PolarHBondContact O-N 3.49Å; N769-Q771 PolarHBondContact O-N 3.26Å; N769-Q771 VanDerWaalsContact O-N 3.15Å; N769-Q771 VanDerWaalsContact OD1-CB 3.26Å; N769-Q771 WeakPolarHBondContact OD1-CB 3.46Å; N769-Q771 PolarHBondContact OD1-N 3.12Å
770L30.1Very low30Very low126 Ų126140.1 Ų140.166%0.6674%0.736SS**G310 helixtrans-68.7-5.3-176.3-74.5169000114.6I768 N772 I773I768-L770 HydrophobicContact CG2-CD2 4.43Å; I768-L770 PolarHBondContact O-N 3.04Å; I768-L770 VanDerWaalsContact O-N 3.07Å; L770-N772 PolarHBondContact O-N 3.11Å; L770-I773 HydrophobicContact CD2-CD1 4.31Å; L770-I773 PolarHBondContact O-N 3.19Å
771Q30.4Very low29.8Very low148 Ų148140.2 Ų140.269%0.69274%0.737SS**G310 helixtrans-64.5-22.4-174.3-160.96140.100113.9N769N769-Q771 PolarHBondContact O-N 3.26Å; N769-Q771 VanDerWaalsContact O-N 3.15Å; N769-Q771 VanDerWaalsContact OD1-CB 3.26Å; N769-Q771 WeakPolarHBondContact OD1-CB 3.46Å; N769-Q771 PolarHBondContact OD1-N 3.12Å
772N28.3Very low29.7Very low112 Ų112140.2 Ų140.260%0.59973%0.732SS**G310 helixtrans-997.4-172.5-69.531.9000114.8L770L770-N772 PolarHBondContact O-N 3.11Å
773I29.3Very low29.5Very low116 Ų116139.6 Ų139.660%0.59573%0.728SS**SBendtrans-97.9-10.2-176.3-65.4-179000112.8L770L770-I773 HydrophobicContact CD2-CD1 4.31Å; L770-I773 PolarHBondContact O-N 3.19Å
774Y28.3Very low29.3Very low204 Ų204141.5 Ų141.580%0.873%0.732SS**SBendtrans-92.7-7.1-178.5-96.9-84.7000116.1
775E29.1Very low29.2Very low150 Ų150142.2 Ų142.270%0.70173%0.729SS**SBendtrans-96.3-12.9-170.8-65.3-171.2138.200115.4N777E775-N777 PolarHBondContact O-N 3.27Å
776I29.4Very low29.2Very low142 Ų142145.9 Ų145.973%0.72873%0.733SS**THydrogen-bonded Turntrans-80.4-6.9-164.4-69.8176.3000115.1
777N30.5Very low29.2Very low144 Ų144146 Ų14677%0.7774%0.737SS**THydrogen-bonded Turntrans-133.515.2-177.1-86.3-58.7000116.1E775E775-N777 PolarHBondContact O-N 3.27Å
778Y27.9Very low29.4Very low190 Ų190146.1 Ų146.175%0.74574%0.737SS**SBendtrans-101-6.7-176.1-108.7-80.5000116.2
779E28.9Very low29.1Very low177 Ų177152 Ų15283%0.82776%0.755SS**SBendtrans-91.6-2.5-174.2-68.4-159.5121.500116.2
780L29.1Very low29.2Very low163 Ų163154.7 Ų154.785%0.85376%0.763SS**SBendtrans-104.99.2-172.5-85.5169.8000116.3
781L29Very low29.3Very low165 Ų165153.8 Ų153.886%0.86477%0.765SS**  trans-123.921.8-174.4-82.8162.9000114.8
782T27.4Very low29.3Very low120 Ų120159.5 Ų159.574%0.73679%0.788SS**  trans-97.226.7-174.949.20000114.9
783T29.9Very low29.4Very low116 Ų116161.9 Ų161.971%0.71280%0.798SS**SBendtrans-137.897.7172.8390000115
784N28.1Very low29.4Very low153 Ų153164.3 Ų164.382%0.81881%0.808SS**  trans72.1149151.4-57.2-28.9000121.4
785D30.1Very low29.5Very low131 Ų131162.1 Ų162.170%0.70181%0.809SS**  trans60.287.7160.3-68.4-47.5000121.5
786K30.2Very low29.5Very low197 Ų197162.8 Ų162.886%0.85782%0.815SS**  46.577.3129.1-60.7177.5-176.8170.20117.4
787L31.3Very low29.5Very low169 Ų169164.1 Ų164.189%0.88582%0.82SS**  trans-120.8132.1152.5-88.4163.4000110.6
788T32.1Very low29.4Very low136 Ų136165.5 Ų165.583%0.83482%0.824SS**  trans-73.9130.3-174.2-6.70000110.8H790T788-H790 PolarHBondContact O-N 3.45Å
789Y24.9Very low29.5Very low213 Ų213163.7 Ų163.784%0.83583%0.829SS**  trans-61.6125.8172.5-121.6-103000110.5
790H28.8Very low29.6Very low177 Ų177162.7 Ų162.782%0.81983%0.83SS**  trans-130.5111163-118.3-74.7000107.2T788T788-H790 PolarHBondContact O-N 3.45Å
791P33Very low29.6Very low107 Ų107162.7 Ų162.770%0.69583%0.828SS**  trans-76.7147.3-179.431.5-34.2000111.5
792F30.6Very low29.7Very low268 Ų268162.5 Ų162.5100%1.17582%0.824SS**  trans-138.90168.1-113.2-67.9000108.3

Retrieved 792 of 792 residues in 436.9 ms (Link to these results)