A0A077ZJN2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJN2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,348 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.2Low81.2Confident214 Ų214134.5 Ų134.5100%1.05465%0.65SS**  0-70.40-82.6-174.2175.900113.7L3 A4 Q5M1-L3 PolarHBondContact O-N 3.48Å; M1-L3 VanDerWaalsContact O-N 3.14Å; M1-A4 WeakPolarHBondContact O-CB 3.08Å; M1-A4 PolarHBondContact O-N 2.87Å; M1-Q5 PolarHBondContact O-N 2.85Å
2F68.5Low81.9Confident183 Ų183132.5 Ų132.580%0.80364%0.639SS**Hα-helixtrans-48.6-46-168.6-89-86.5000115.9A4 Q5 D6F2-A4 VanDerWaalsContact C-N 3.35Å; F2-A4 PolarHBondContact O-N 2.83Å; F2-Q5 PolarHBondContact O-N 2.74Å; F2-D6 PolarHBondContact O-N 2.78Å; F2-D6 VanDerWaalsContact O-N 3.15Å
3L75.1Confident82.2Confident152 Ų152137 Ų13780%0.79665%0.646SS**Hα-helixtrans-59.6-40.2178.6-67.2172.6000113.3M1 Q5 D6 E7M1-L3 PolarHBondContact O-N 3.48Å; M1-L3 VanDerWaalsContact O-N 3.14Å; L3-Q5 VanDerWaalsContact C-N 3.31Å; L3-Q5 PolarHBondContact O-N 2.94Å; L3-D6 PolarHBondContact O-N 2.78Å; L3-E7 PolarHBondContact O-N 2.67Å
4A76.4Confident82.2Confident70 Ų70134.2 Ų134.258%0.57964%0.637SS**Hα-helixtrans-67.7-31.7178.500000112.4M1 F2 Y8M1-A4 WeakPolarHBondContact O-CB 3.08Å; M1-A4 PolarHBondContact O-N 2.87Å; F2-A4 VanDerWaalsContact C-N 3.35Å; F2-A4 PolarHBondContact O-N 2.83Å; A4-Y8 WeakPolarHBondContact O-CB 3.28Å; A4-Y8 PolarHBondContact O-N 2.78Å
5Q85.7Confident81.9Confident125 Ų125132.8 Ų132.858%0.58464%0.635SS**Hα-helixtrans-71.5-35.1174.9-167.7167.312.400111.5M1 F2 L3 Y8 N9M1-Q5 PolarHBondContact O-N 2.85Å; F2-Q5 PolarHBondContact O-N 2.74Å; L3-Q5 VanDerWaalsContact C-N 3.31Å; L3-Q5 PolarHBondContact O-N 2.94Å; Q5-Y8 PolarHBondContact O-N 2.72Å; Q5-N9 WeakPolarHBondContact O-CB 3.11Å; Q5-N9 PolarHBondContact O-N 2.56Å; Q5-N9 PolarHBondContact O-ND2 2.98Å; Q5-N9 VanDerWaalsContact O-ND2 3.14Å
6D88.1Confident81.7Confident111 Ų111131.9 Ų131.959%0.59463%0.634SS**Hα-helixtrans-74.6-34175.6-116.214.7000113F2 L3 N9 K10F2-D6 PolarHBondContact O-N 2.78Å; F2-D6 VanDerWaalsContact O-N 3.15Å; L3-D6 PolarHBondContact O-N 2.78Å; D6-N9 PolarHBondContact O-N 3.4Å; D6-N9 PolarHBondContact OD1-ND2 2.89Å; D6-K10 WeakPolarHBondContact O-CB 3.4Å; D6-K10 PolarHBondContact O-N 3.13Å
7E83.7Confident81.4Confident124 Ų124132.4 Ų132.458%0.57963%0.632SS**Hα-helixtrans-59-45.1166.2-80.1-99.4108.500111.8L3 K10 K11L3-E7 PolarHBondContact O-N 2.67Å; E7-K10 PolarHBondContact O-N 3.3Å; E7-K10 IonicContact OE1-NZ 2.88Å; E7-K11 WeakPolarHBondContact O-CB 3.33Å; E7-K11 PolarHBondContact O-N 2.87Å
8Y89Confident80.9Confident156 Ų156131.2 Ų131.261%0.61263%0.634SS**Hα-helixtrans-59.6-51.4174.6-173.3-85000111.5A4 Q5 K10 K11 E12A4-Y8 WeakPolarHBondContact O-CB 3.28Å; A4-Y8 PolarHBondContact O-N 2.78Å; Q5-Y8 PolarHBondContact O-N 2.72Å; Y8-K10 PolarHBondContact O-N 2.61Å; Y8-K11 PolarHBondContact O-N 2.75Å; Y8-K11 VanDerWaalsContact O-N 3.16Å; Y8-E12 WeakPolarHBondContact O-CB 3.38Å; Y8-E12 PolarHBondContact O-N 3.35Å
9N90.1Very high80.3Confident58 Ų58128.1 Ų128.131%0.3163%0.633SS.*Hα-helixtrans-56.2-38.1176.6-69-29.3000112.5Q5 D6 R13Q5-N9 WeakPolarHBondContact O-CB 3.11Å; Q5-N9 PolarHBondContact O-N 2.56Å; Q5-N9 PolarHBondContact O-ND2 2.98Å; Q5-N9 VanDerWaalsContact O-ND2 3.14Å; D6-N9 PolarHBondContact O-N 3.4Å; D6-N9 PolarHBondContact OD1-ND2 2.89Å; N9-R13 VanDerWaalsContact O-CB 3.32Å; N9-R13 WeakPolarHBondContact O-CB 3.29Å; N9-R13 VanDerWaalsContact O-CG 3.27Å; N9-R13 WeakPolarHBondContact O-CG 3.45Å; N9-R13 PolarHBondContact O-N 3.2Å
10K89.5Confident79.7Confident131 Ų131128.6 Ų128.657%0.5764%0.637SS**Hα-helixtrans-72-39.8179.4-174.4-179.7177.9-168.50111.6D6 E7 Y8 N14D6-K10 WeakPolarHBondContact O-CB 3.4Å; D6-K10 PolarHBondContact O-N 3.13Å; E7-K10 PolarHBondContact O-N 3.3Å; E7-K10 IonicContact OE1-NZ 2.88Å; Y8-K10 PolarHBondContact O-N 2.61Å; K10-N14 PolarHBondContact O-N 3.14Å; K10-N14 VanDerWaalsContact O-N 3.12Å; K10-N14 PolarHBondContact O-ND2 2.68Å
11K85.1Confident78.9Confident155 Ų155129.9 Ų129.967%0.67464%0.641SS**Hα-helixtrans-69.4-42.7176.2-158.6168.9-171.9172.40111.6E7 Y8 N14 N15E7-K11 WeakPolarHBondContact O-CB 3.33Å; E7-K11 PolarHBondContact O-N 2.87Å; Y8-K11 PolarHBondContact O-N 2.75Å; Y8-K11 VanDerWaalsContact O-N 3.16Å; K11-N14 PolarHBondContact O-N 3.07Å; K11-N15 PolarHBondContact O-N 3.17Å
12E89.1Confident78.9Confident111 Ų111128.7 Ų128.752%0.51963%0.63SS.*Hα-helixtrans-65.4-45.3175.9-166.7-178.9-139.800111.8Y8 N14 N15 L16Y8-E12 WeakPolarHBondContact O-CB 3.38Å; Y8-E12 PolarHBondContact O-N 3.35Å; E12-N14 VanDerWaalsContact C-N 3.29Å; E12-N14 PolarHBondContact O-N 3.44Å; E12-N15 PolarHBondContact O-N 3.15Å; E12-L16 WeakPolarHBondContact O-CB 3.23Å; E12-L16 PolarHBondContact O-N 3.38Å
13R86Confident78.1Confident191 Ų191126 Ų12672%0.72163%0.632SS**Hα-helixtrans-58.4-38.1173.7-81177.8177.1167.73.6113.1N9 K17N9-R13 VanDerWaalsContact O-CB 3.32Å; N9-R13 WeakPolarHBondContact O-CB 3.29Å; N9-R13 VanDerWaalsContact O-CG 3.27Å; N9-R13 WeakPolarHBondContact O-CG 3.45Å; N9-R13 PolarHBondContact O-N 3.2Å; R13-K17 WeakPolarHBondContact O-CB 3.43Å; R13-K17 PolarHBondContact O-N 2.99Å
14N82.6Confident76.5Confident98 Ų98127.9 Ų127.952%0.52464%0.636SS.*Hα-helixtrans-67.5-44.8176.5-78.7-17.9000111.8K10 K11 E12 L16 K17 V18K10-N14 PolarHBondContact O-N 3.14Å; K10-N14 VanDerWaalsContact O-N 3.12Å; K10-N14 PolarHBondContact O-ND2 2.68Å; K11-N14 PolarHBondContact O-N 3.07Å; E12-N14 VanDerWaalsContact C-N 3.29Å; E12-N14 PolarHBondContact O-N 3.44Å; N14-L16 PolarHBondContact O-N 2.96Å; N14-K17 PolarHBondContact O-N 3.27Å; N14-V18 WeakPolarHBondContact O-CG2 3.45Å; N14-V18 PolarHBondContact O-N 3.14Å
15N77.2Confident74.9Confident113 Ų113130.1 Ų130.160%0.60465%0.648SS**Hα-helixtrans-61.4-42.1174.7-78.1-15.4000112.2K11 E12 K17 V18 A19K11-N15 PolarHBondContact O-N 3.17Å; E12-N15 PolarHBondContact O-N 3.15Å; N15-K17 VanDerWaalsContact C-N 3.28Å; N15-K17 PolarHBondContact O-N 3.25Å; N15-V18 PolarHBondContact O-N 2.94Å; N15-A19 WeakPolarHBondContact O-CB 3.29Å; N15-A19 PolarHBondContact O-N 3.4Å
16L79Confident72.8Confident118 Ų118128.3 Ų128.362%0.61865%0.654SS**Hα-helixtrans-64.8-32.5177.2-157.575.4000112.3E12 N14E12-L16 WeakPolarHBondContact O-CB 3.23Å; E12-L16 PolarHBondContact O-N 3.38Å; N14-L16 PolarHBondContact O-N 2.96Å
17K76.5Confident70.6Confident140 Ų140131.7 Ų131.761%0.60967%0.666SS**Hα-helixtrans-71-44.4175.2-167177.9179.9-172.60111.9R13 N14 N15 A19 L20R13-K17 WeakPolarHBondContact O-CB 3.43Å; R13-K17 PolarHBondContact O-N 2.99Å; N14-K17 PolarHBondContact O-N 3.27Å; N15-K17 VanDerWaalsContact C-N 3.28Å; N15-K17 PolarHBondContact O-N 3.25Å; K17-A19 VanDerWaalsContact C-N 3.27Å; K17-A19 PolarHBondContact O-N 2.9Å; K17-L20 PolarHBondContact O-N 2.81Å; K17-L20 VanDerWaalsContact O-N 3.14Å
18V73.2Confident68.6Low111 Ų111132.7 Ų132.767%0.67368%0.681SS**Hα-helixtrans-63.2-33.4174.8173.40000111.7N14 N15 L20N14-V18 WeakPolarHBondContact O-CG2 3.45Å; N14-V18 PolarHBondContact O-N 3.14Å; N15-V18 PolarHBondContact O-N 2.94Å; V18-L20 PolarHBondContact O-N 3.28Å
19A69.7Low66.2Low73 Ų73132.8 Ų132.860%0.60369%0.691SS**THydrogen-bonded Turntrans-69.1-16175.800000114.5N15 K17N15-A19 WeakPolarHBondContact O-CB 3.29Å; N15-A19 PolarHBondContact O-N 3.4Å; K17-A19 VanDerWaalsContact C-N 3.27Å; K17-A19 PolarHBondContact O-N 2.9Å
20L68Low63.8Low138 Ų138135 Ų13572%0.72372%0.717SS**THydrogen-bonded Turntrans-99.7-12.1-174.8-95.7160.1000114.7K17 V18K17-L20 PolarHBondContact O-N 2.81Å; K17-L20 VanDerWaalsContact O-N 3.14Å; V18-L20 PolarHBondContact O-N 3.28Å
21E63.2Low61.4Low155 Ų155139.5 Ų139.572%0.72473%0.731SS**  trans-99.286.5176.3-69.7-169.6107.900112
22K61Low59.4Low189 Ų189139.1 Ų139.182%0.82274%0.742SS**  trans-128111.8170-84-173176.3176.80112.9
23P52.4Low57.1Low128 Ų128139.8 Ų139.883%0.83175%0.754SS**  trans-88.2150.6157.533.8-30.1000111.5
24Q40.5Very low54.9Low190 Ų190141 Ų14189%0.88876%0.76SS**  trans-113.6135.4173.8-56173.9-69.900110.6
25S43.5Very low53Low117 Ų117142.2 Ų142.282%0.81877%0.771SS**  trans177.3139.9147.854.30000114
26A42.4Very low51.8Low87 Ų87143.4 Ų143.472%0.71978%0.776SS**  trans53120.8158.700000118.8
27E41.1Very low50.5Low182 Ų182143.5 Ų143.585%0.8578%0.784SS**  67.4106.654.7-64-165.812300116.1
28T41.2Very low49.4Very low146 Ų146144.1 Ų144.190%0.89679%0.792SS**  -172.9168.2109.721.40000112.4
29L38.4Very low48.4Very low157 Ų157144.4 Ų144.482%0.82280%0.796SS**  trans-87.2148.8-168.2-75.265.6000114.2
30A41.2Very low46.8Very low104 Ų104150 Ų15086%0.8681%0.81SS**  trans-139140.314200000109.8
31R39Very low45.8Very low226 Ų226153 Ų15385%0.85382%0.82SS**  trans-114.7135.2179.2-82.4174.3160.7173.1-7.8110.4
32T41.6Very low44.8Very low148 Ų148150.4 Ų150.491%0.90883%0.825SS**  trans-139.6153.9151.234.60000109.1
33T41.4Very low43.8Very low125 Ų125148.2 Ų148.277%0.76783%0.828SS**  trans-115.3134.4-154-40.20000112.3
34Y40Very low43.4Very low217 Ų217151.2 Ų151.285%0.85183%0.831SS**  trans-98.8140.5163.2-118-97.4000109.6
35T43.1Very low43.6Very low123 Ų123149.2 Ų149.276%0.75582%0.822SS**  trans-127.4119.7178.3-54.30000109.5
36I50.9Low43.4Very low138 Ų138152.9 Ų152.971%0.70882%0.818SS**  trans-126.2130.9170.7-60.9178.1000106.6
37P52.3Low43.3Very low120 Ų120155.1 Ų155.178%0.77982%0.817SS**PPolyproline II helixtrans-77.5147.3-174.931.3-35.1000112.5
38I52.8Low43.3Very low152 Ų152155.7 Ų155.778%0.77982%0.82SS**PPolyproline II helixtrans-103.5127.6174.9-59.2172.3000108.4
39P52.3Low43.4Very low118 Ų118156.8 Ų156.877%0.76682%0.815SS**PPolyproline II helixtrans-72.4142.6171.530.6-33.5000111
40Q36.7Very low43.7Very low191 Ų191158.7 Ų158.789%0.89382%0.816SS**PPolyproline II helixtrans-98.1133177.6-55.7178.6-75.400110.4
41E46.7Very low43.8Very low199 Ų199159.2 Ų159.293%0.9381%0.809SS**  trans-133.2169157.3-74.9-147.6155.200111.7
42A42.7Very low44.2Very low101 Ų101153.8 Ų153.884%0.83580%0.803SS**  trans-76.5144.9-147.600000116.4
43T39.8Very low44.2Very low143 Ų143152.7 Ų152.788%0.87780%0.796SS**  trans-116.5118.4156.149.80000109.5
44E44.6Very low44.5Very low192 Ų192152.3 Ų152.390%0.89780%0.799SS**  trans-92.7174.7173.1-152167.6-152.300110.6
45E43.1Very low44.6Very low148 Ų148146.5 Ų146.569%0.69280%0.796SS**  trans-62.9166-170.2-35.5-171.9118.700113.7
46R39.4Very low44.6Very low194 Ų194148.9 Ų148.973%0.73280%0.798SS**  cis-178.7157.748.2-139.2171.6-157.4-1741.3115.6
47N40.4Very low44.4Very low134 Ų134148.3 Ų148.372%0.71780%0.801SS**  trans63.6114.1150.2-69.6-25.7000122.4
48E41.6Very low43.9Very low194 Ų194145.9 Ų145.991%0.90779%0.791SS**  -133.6111.9127.9-74.2-163.6158.100108.4
49E42.7Very low43.5Very low168 Ų168144.6 Ų144.679%0.78579%0.79SS**  60.5126.599.8-174.4167.617200117.3
50K44.7Very low43.4Very low197 Ų197148.4 Ų148.486%0.85780%0.798SS**  trans-163.2121.3141.9-111.4158.4-174.7155.70115.6
51V44.8Very low43.9Very low116 Ų116142.9 Ų142.970%0.70379%0.792SS**  trans68.9115.4151.1-166.80000120.2
52P45.7Very low43.5Very low111 Ų111143 Ų14372%0.72179%0.792SS**  trans-104.7165.4164.438.9-33000113.7
53T43.5Very low43.5Very low126 Ų126146.8 Ų146.877%0.77379%0.793SS**  trans-162.6134.6159-17.70000115.7
54S46.4Very low43.8Very low117 Ų117145 Ų14582%0.81878%0.784SS**  trans65.1146.2161.9-54.20000118.7
55A42.2Very low43.7Very low95 Ų95144.9 Ų144.979%0.78578%0.78SS**  cis-170.7179.1-17.700000106.7
56E44.2Very low43.5Very low173 Ų173143.1 Ų143.181%0.80879%0.785SS**  cis-162.7163.55.8-150.6-163.213700108.7
57V45.2Very low43.5Very low125 Ų125140.1 Ų140.176%0.75879%0.788SS**  trans66.3135.8153.6156.10000119.7
58A43.2Very low43.5Very low70 Ų70141 Ų14158%0.57979%0.793SS**  cis-169.9156.6-15.100000114.4
59T44.6Very low43.3Very low125 Ų125139.6 Ų139.677%0.76779%0.791SS**  trans70.1124.9143.845.60000124.9
60E49.9Very low43.3Very low197 Ų197138.5 Ų138.592%0.92179%0.785SS**  trans68.9117.9141.6-66.4-173115.200121.9
61G46.6Very low43.2Very low75 Ų75134.3 Ų134.377%0.77378%0.776SS**  trans171.449.9164.900000122.4
62Q38.4Very low43.4Very low201 Ų201136.9 Ų136.994%0.93978%0.778SS**  trans71.6145.3163.8-60.1-178-124.400120.7
63E42.1Very low43.5Very low182 Ų182138.8 Ų138.885%0.8578%0.782SS**  trans-90-171.4171.9-37.1170.6118.400110.8
64P46.6Very low43.3Very low106 Ų106136.4 Ų136.469%0.68878%0.783SS**  cis-142172.1-1.635.1-13.5000118.2
65K42.2Very low43.2Very low188 Ų188139 Ų13982%0.81779%0.787SS**  trans130.4134.4138.1-74.5-176.8175.5-173.80115.5
66S39.2Very low43.5Very low112 Ų112142.9 Ų142.978%0.78379%0.789SS**  trans44.5139.8146.659.60000120.3
67T39.8Very low43.4Very low131 Ų131140.9 Ų140.980%0.80479%0.788SS**  cis-132.4175.423.941.60000113.5
68N39.1Very low43.8Very low153 Ų153140.5 Ų140.582%0.81878%0.782SS**  trans-67.6152.3164.8-67.5-16000110.6
69L38.2Very low44.5Very low164 Ų164142.8 Ų142.886%0.85978%0.784SS**  trans-138.6106.1165.3-139.1163.8000105.8
70E42.8Very low45.1Very low144 Ų144144.4 Ų144.467%0.67378%0.783SS**  trans-99.7113.1-173.6-172.6176.113100108.5K72E70-K72 WeakPolarHBondContact OE1-CE 3.44Å; E70-K72 IonicContact OE1-NZ 2.81Å; E70-K72 PolarHBondContact OE1-NZ 3.43Å; E70-K72 VanDerWaalsContact OE1-NZ 3.12Å
71V42.2Very low45.4Very low109 Ų109140.6 Ų140.666%0.66177%0.765SS**  trans-84.5128.5178.31800000109
72K49.9Very low46.2Very low170 Ų170141.2 Ų141.274%0.73975%0.754SS**  trans-128.5105.8166.5-73.8-179.4-179.3161.10107.9E70E70-K72 WeakPolarHBondContact OE1-CE 3.44Å; E70-K72 IonicContact OE1-NZ 2.81Å; E70-K72 PolarHBondContact OE1-NZ 3.43Å; E70-K72 VanDerWaalsContact OE1-NZ 3.12Å
73D47.4Very low47.5Very low151 Ų151135.1 Ų135.181%0.80773%0.731SS**  trans-72144172.6-63.1-57.9000110.2
74G39.4Very low48.6Very low77 Ų77130.9 Ų130.979%0.79471%0.714SS**  trans-74.9160.3-162.700000115.9
75L44.8Very low49.8Very low172 Ų172133.7 Ų133.790%0.90171%0.711SS**  trans-154.970.8169-129.4170.9000109.4
76E48.9Very low51.4Low176 Ų176134 Ų13482%0.82271%0.707SS**  trans-115124177.8-70179.3158.300109.8
77T41.6Very low53.2Low131 Ų131133.3 Ų133.380%0.80469%0.694SS**  trans173.581.4161.917.90000110.1
78N52.6Low55.1Low116 Ų116132.8 Ų132.862%0.6268%0.683SS**  trans-167-3.1159.2-118.6-64.5000118.1E80 Q81N78-E80 PolarHBondContact O-N 3.18Å; N78-E80 VanDerWaalsContact O-N 3.11Å; N78-Q81 PolarHBondContact O-N 3.43Å
79D57.7Low57.1Low118 Ų118127.9 Ų127.963%0.63166%0.664SS**Hα-helixtrans-62.8-24.6-168.8-64.1-77.3000115.3Q81 V82 T83D79-Q81 VanDerWaalsContact C-N 3.31Å; D79-Q81 PolarHBondContact O-N 2.87Å; D79-V82 WeakPolarHBondContact O-CA 3.31Å; D79-V82 WeakPolarHBondContact O-CB 3.36Å; D79-V82 PolarHBondContact O-N 3.16Å; D79-T83 PolarHBondContact O-N 2.9Å; D79-T83 PolarHBondContact O-OG1 3.26Å
80E58.4Low59.3Low160 Ų160123 Ų12375%0.74865%0.647SS**Hα-helixtrans-68-22.5-177.5-161.8171.8-141.100114.3N78 T83 N84N78-E80 PolarHBondContact O-N 3.18Å; N78-E80 VanDerWaalsContact O-N 3.11Å; E80-T83 PolarHBondContact O-OG1 3.29Å; E80-N84 PolarHBondContact O-ND2 3.02Å
81Q54.9Low61.2Low116 Ų116121.7 Ų121.754%0.54264%0.643SS.*Hα-helixtrans-83.8-21.9167.1-73-16027.900113N78 D79 R85N78-Q81 PolarHBondContact O-N 3.43Å; D79-Q81 VanDerWaalsContact C-N 3.31Å; D79-Q81 PolarHBondContact O-N 2.87Å; Q81-R85 WeakPolarHBondContact O-CG 3.48Å; Q81-R85 PolarHBondContact O-N 3.03Å
82V65.1Low63.2Low88 Ų88122.4 Ų122.453%0.53364%0.643SS.*Hα-helixtrans-80.6-37.8-179.2-176.30000110.7D79 R86D79-V82 WeakPolarHBondContact O-CA 3.31Å; D79-V82 WeakPolarHBondContact O-CB 3.36Å; D79-V82 PolarHBondContact O-N 3.16Å; V82-R86 WeakPolarHBondContact O-CB 3.48Å; V82-R86 PolarHBondContact O-N 3.23Å
83T64.2Low65Low74 Ų74118.6 Ų118.645%0.45463%0.633SS.*Hα-helixtrans-64-49.5173.550.90000111.8D79 E80 R85 R86 N87D79-T83 PolarHBondContact O-N 2.9Å; D79-T83 PolarHBondContact O-OG1 3.26Å; E80-T83 PolarHBondContact O-OG1 3.29Å; T83-R85 PolarHBondContact O-N 2.89Å; T83-R86 WeakPolarHBondContact O-CB 3.15Å; T83-R86 PolarHBondContact O-N 3.33Å; T83-R86 VanDerWaalsContact O-N 3.08Å; T83-N87 PolarHBondContact O-N 3.47Å; T83-N87 VanDerWaalsContact O-N 3.07Å
84N64.9Low66.9Low92 Ų92114.5 Ų114.549%0.49262%0.617SS.*Hα-helixtrans-59-48.6-179.1-80.9-51.9000112.7E80 R86 N87 E88E80-N84 PolarHBondContact O-ND2 3.02Å; N84-R86 PolarHBondContact O-N 3.12Å; N84-N87 PolarHBondContact O-N 2.65Å; N84-N87 VanDerWaalsContact O-N 3.13Å; N84-E88 PolarHBondContact O-N 3.04Å
85R73.7Confident69.1Low165 Ų165118.2 Ų118.262%0.62361%0.608SS**Hα-helixtrans-62.5-28.1176-69.4-174-165.5-167.47.5113.6Q81 T83 A89Q81-R85 WeakPolarHBondContact O-CG 3.48Å; Q81-R85 PolarHBondContact O-N 3.03Å; T83-R85 PolarHBondContact O-N 2.89Å; R85-A89 WeakPolarHBondContact O-CB 3.48Å; R85-A89 PolarHBondContact O-N 3.45Å; R85-A89 VanDerWaalsContact O-N 3.13Å
86R75.4Confident71.1Confident196 Ų196115.6 Ų115.674%0.7459%0.591SS**Hα-helixtrans-73.4-34.5177.1-165.2173.3-1691523.4111.8V82 T83 N84 A90V82-R86 WeakPolarHBondContact O-CB 3.48Å; V82-R86 PolarHBondContact O-N 3.23Å; T83-R86 WeakPolarHBondContact O-CB 3.15Å; T83-R86 PolarHBondContact O-N 3.33Å; T83-R86 VanDerWaalsContact O-N 3.08Å; N84-R86 PolarHBondContact O-N 3.12Å; R86-A90 PolarHBondContact O-N 3.02Å; R86-A90 VanDerWaalsContact O-N 3.14Å
87N77Confident72.8Confident97 Ų97113.2 Ų113.252%0.51958%0.58SS.*Hα-helixtrans-71.6-44174.6-67.2-6.8000111.3T83 N84 A89 A90 I91T83-N87 PolarHBondContact O-N 3.47Å; T83-N87 VanDerWaalsContact O-N 3.07Å; N84-N87 PolarHBondContact O-N 2.65Å; N84-N87 VanDerWaalsContact O-N 3.13Å; N87-A89 VanDerWaalsContact C-N 3.33Å; N87-A89 PolarHBondContact O-N 3.06Å; N87-A90 PolarHBondContact O-N 3.41Å; N87-I91 WeakPolarHBondContact O-CG1 3.26Å; N87-I91 PolarHBondContact O-N 3.35Å
88E79.9Confident74.8Confident120 Ų120112.5 Ų112.556%0.56157%0.57SS**Hα-helixtrans-56.1-46.1173.5-70.2175.2157.500111.9N84 A90 I91 L92N84-E88 PolarHBondContact O-N 3.04Å; E88-A90 PolarHBondContact O-N 2.87Å; E88-I91 PolarHBondContact O-N 3.47Å; E88-L92 WeakPolarHBondContact O-CG 3.48Å; E88-L92 PolarHBondContact O-N 3.38Å
89A80.1Confident76.1Confident50 Ų50112.3 Ų112.341%0.41357%0.566SS.*Hα-helixtrans-61.8-42.1176.900000112.5R85 N87 I91 L92 T93R85-A89 WeakPolarHBondContact O-CB 3.48Å; R85-A89 PolarHBondContact O-N 3.45Å; R85-A89 VanDerWaalsContact O-N 3.13Å; N87-A89 VanDerWaalsContact C-N 3.33Å; N87-A89 PolarHBondContact O-N 3.06Å; A89-I91 PolarHBondContact O-N 3.34Å; A89-L92 PolarHBondContact O-N 3.34Å; A89-T93 PolarHBondContact O-N 3.31Å; A89-T93 PolarHBondContact O-OG1 3.14Å; A89-T93 VanDerWaalsContact O-OG1 3.1Å
90A84Confident77.2Confident61 Ų61112 Ų11250%0.50456%0.561SS.*Hα-helixtrans-64.5-37.9178.200000112.8R86 N87 E88 S94R86-A90 PolarHBondContact O-N 3.02Å; R86-A90 VanDerWaalsContact O-N 3.14Å; N87-A90 PolarHBondContact O-N 3.41Å; E88-A90 PolarHBondContact O-N 2.87Å; A90-S94 PolarHBondContact O-N 3.4Å; A90-S94 PolarHBondContact O-OG 3.06Å
91I83.2Confident78.4Confident116 Ų116110.3 Ų110.360%0.59555%0.551SS**Hα-helixtrans-68.9-40.1177-66.9164.7000111.1N87 E88 A89 S94 Y95N87-I91 WeakPolarHBondContact O-CG1 3.26Å; N87-I91 PolarHBondContact O-N 3.35Å; E88-I91 PolarHBondContact O-N 3.47Å; A89-I91 PolarHBondContact O-N 3.34Å; I91-S94 PolarHBondContact O-N 2.97Å; I91-S94 PolarHBondContact O-OG 2.96Å; I91-Y95 PolarHBondContact O-N 3.21Å; I91-Y95 VanDerWaalsContact O-N 3.12Å
92L84.4Confident79.4Confident125 Ų125107.8 Ų107.865%0.65455%0.55SS*.Hα-helixtrans-64.7-44.5175.6-72.9168.9000111.8E88 A89 S94 Y95 E96E88-L92 WeakPolarHBondContact O-CG 3.48Å; E88-L92 PolarHBondContact O-N 3.38Å; A89-L92 PolarHBondContact O-N 3.34Å; L92-S94 PolarHBondContact O-N 3.29Å; L92-Y95 PolarHBondContact O-N 2.99Å; L92-E96 PolarHBondContact O-N 3.21Å
93T87.2Confident79.6Confident89 Ų89107.9 Ų107.955%0.54655%0.551SS.*Hα-helixtrans-66-35.2178.3-55.40000112.8A89 H97A89-T93 PolarHBondContact O-N 3.31Å; A89-T93 PolarHBondContact O-OG1 3.14Å; A89-T93 VanDerWaalsContact O-OG1 3.1Å; T93-H97 WeakPolarHBondContact O-CB 3.32Å; T93-H97 PolarHBondContact O-N 2.91Å
94S87.6Confident80Confident66 Ų66111.9 Ų111.946%0.46256%0.564SS.*Hα-helixtrans-70.4-35.3175.866.80000112.4A90 I91 L92 L98A90-S94 PolarHBondContact O-N 3.4Å; A90-S94 PolarHBondContact O-OG 3.06Å; I91-S94 PolarHBondContact O-N 2.97Å; I91-S94 PolarHBondContact O-OG 2.96Å; L92-S94 PolarHBondContact O-N 3.29Å; S94-L98 WeakPolarHBondContact O-CB 3.27Å; S94-L98 PolarHBondContact O-N 2.72Å
95Y85.8Confident80Confident154 Ų154115 Ų11560%0.60458%0.576SS**Hα-helixtrans-68.5-40.4175.3-155.3-108.9000112.3I91 L92 L98 Q99I91-Y95 PolarHBondContact O-N 3.21Å; I91-Y95 VanDerWaalsContact O-N 3.12Å; L92-Y95 PolarHBondContact O-N 2.99Å; Y95-L98 PolarHBondContact O-N 3.12Å; Y95-Q99 PolarHBondContact O-N 2.96Å
96E85.9Confident79.3Confident117 Ų117111.2 Ų111.255%0.54757%0.574SS.*Hα-helixtrans-63.3-43.3173.9-172.7175-165.500111.8L92 L98 Q99 Q100L92-E96 PolarHBondContact O-N 3.21Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.28Å; E96-Q99 PolarHBondContact O-N 2.74Å; E96-Q100 PolarHBondContact O-N 3.07Å
97H85.1Confident78.2Confident126 Ų126109.3 Ų109.358%0.58357%0.574SS**Hα-helixtrans-66.9-31.1176.4-165.5-40.8000112.6T93 K101T93-H97 WeakPolarHBondContact O-CB 3.32Å; T93-H97 PolarHBondContact O-N 2.91Å; H97-K101 WeakPolarHBondContact O-CB 3.38Å; H97-K101 PolarHBondContact O-N 3.31Å; H97-K101 VanDerWaalsContact O-N 3.08Å
98L83.6Confident76.9Confident116 Ų116109.9 Ų109.961%0.60758%0.583SS**Hα-helixtrans-67.1-42.8171.4-96.4156.4000111.7S94 Y95 E96 K101 A102S94-L98 WeakPolarHBondContact O-CB 3.27Å; S94-L98 PolarHBondContact O-N 2.72Å; Y95-L98 PolarHBondContact O-N 3.12Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.28Å; L98-K101 PolarHBondContact O-N 3.32Å; L98-A102 WeakPolarHBondContact O-CB 3.47Å; L98-A102 PolarHBondContact O-N 3.24Å
99Q81.2Confident75.6Confident113 Ų113113.5 Ų113.553%0.52860%0.597SS.*Hα-helixtrans-66-41.2176-70.7-176.422.400112.6Y95 E96 A102 T103Y95-Q99 PolarHBondContact O-N 2.96Å; E96-Q99 PolarHBondContact O-N 2.74Å; Q99-A102 PolarHBondContact O-N 2.89Å; Q99-T103 WeakPolarHBondContact O-CB 3.39Å; Q99-T103 PolarHBondContact O-N 3.25Å; Q99-T103 PolarHBondContact O-OG1 3.47Å
100Q80.6Confident74Confident112 Ų112117.6 Ų117.652%0.52361%0.612SS.*Hα-helixtrans-59.7-48.6173.7-76-177-7.300111.2E96 A102 T103 E104E96-Q100 PolarHBondContact O-N 3.07Å; Q100-A102 VanDerWaalsContact C-N 3.35Å; Q100-A102 PolarHBondContact O-N 3.01Å; Q100-T103 PolarHBondContact O-N 3.08Å; Q100-T103 VanDerWaalsContact O-N 3.12Å; Q100-E104 PolarHBondContact O-N 2.72Å
101K83.6Confident72.2Confident124 Ų124122.3 Ų122.354%0.53963%0.628SS.*Hα-helixtrans-64.1-36.5179.9-168.6179.7177.9-170.20113H97 L98 Q105H97-K101 WeakPolarHBondContact O-CB 3.38Å; H97-K101 PolarHBondContact O-N 3.31Å; H97-K101 VanDerWaalsContact O-N 3.08Å; L98-K101 PolarHBondContact O-N 3.32Å; K101-Q105 PolarHBondContact O-N 3.41Å
102A74.6Confident70.2Confident62 Ų62126.5 Ų126.551%0.51265%0.645SS.*Hα-helixtrans-65.9-39.7173.200000111.8L98 Q99 Q100 Q105L98-A102 WeakPolarHBondContact O-CB 3.47Å; L98-A102 PolarHBondContact O-N 3.24Å; Q99-A102 PolarHBondContact O-N 2.89Å; Q100-A102 VanDerWaalsContact C-N 3.35Å; Q100-A102 PolarHBondContact O-N 3.01Å; A102-Q105 PolarHBondContact O-N 3.08Å
103T70.3Confident68.4Low91 Ų91129.3 Ų129.356%0.55866%0.655SS**Hα-helixtrans-66.3-44.3177.6-49.30000111.1Q99 Q100 Q105 S106Q99-T103 WeakPolarHBondContact O-CB 3.39Å; Q99-T103 PolarHBondContact O-N 3.25Å; Q99-T103 PolarHBondContact O-OG1 3.47Å; Q100-T103 PolarHBondContact O-N 3.08Å; Q100-T103 VanDerWaalsContact O-N 3.12Å; T103-Q105 PolarHBondContact O-N 3.4Å; T103-S106 PolarHBondContact O-N 3.41Å; T103-S106 PolarHBondContact O-OG 2.95Å
104E72.8Confident66.5Low157 Ų157132.5 Ų132.573%0.73467%0.668SS**Hα-helixtrans-64.7-16.8175.9-71.4-174.9158.200114.3Q100Q100-E104 PolarHBondContact O-N 2.72Å
105Q64.5Low64.3Low159 Ų159137.8 Ų137.874%0.74369%0.686SS**THydrogen-bonded Turntrans-89.8-1.3171.4-71.5-166.6-97.100113.8K101 A102 T103K101-Q105 PolarHBondContact O-N 3.41Å; A102-Q105 PolarHBondContact O-N 3.08Å; T103-Q105 PolarHBondContact O-N 3.4Å
106S59.3Low62.3Low84 Ų84140 Ų14059%0.58770%0.701SS**  trans-108.86.7-175.666.60000115.1T103 P108T103-S106 PolarHBondContact O-N 3.41Å; T103-S106 PolarHBondContact O-OG 2.95Å; S106-P108 WeakPolarHBondContact O-CD 3.38Å
107E50.9Low60.2Low157 Ų157143.5 Ų143.573%0.73472%0.718SS**  trans-71.6119.2169.5-72.5-164.5143.500110.7
108P50.4Low58.1Low109 Ų109142.8 Ų142.871%0.70872%0.724SS**  trans-68.4140.2174.529.4-34000110.4S106S106-P108 WeakPolarHBondContact O-CD 3.38Å
109K51.8Low56.2Low196 Ų196145 Ų14585%0.85274%0.737SS**  trans-112.9100.6169-75.4173.4-176.6154.70108.4
110D46.8Very low54.3Low136 Ų136145.8 Ų145.873%0.72775%0.749SS**  trans-64.7162.6171-56.1-52000111.4
111D47Very low52.6Low159 Ų159148.7 Ų148.785%0.8576%0.763SS**  trans60.779.3164.4-59.7-17.4000118.7
112Q40.7Very low50.6Low204 Ų204151.8 Ų151.895%0.95378%0.779SS**  trans-150.2127.5133-143.9167.62.900114.4
113E47.7Very low49Very low184 Ų184157.3 Ų157.386%0.8680%0.799SS**  trans-76.3143.7-179.3-59.3161.795.700113.6
114L45.4Very low47.7Very low157 Ų157160.3 Ų160.382%0.82281%0.807SS**  trans166.593.4147-93.2158.4000106.8
115Q42.5Very low46.2Very low177 Ų177159.1 Ų159.183%0.82781%0.805SS**  70.580.864.1-164.5-175.345.800114.2
116E44.6Very low45.1Very low199 Ų199160.6 Ų160.693%0.9381%0.812SS**  trans-149.4145143.7-113.9165.4-157.800107.8
117Q40.1Very low44.3Very low192 Ų192164.9 Ų164.990%0.89782%0.823SS**  trans-107.3157.7-168.1-102.1-173.9-30.200112.9
118P40.9Very low44Very low111 Ų111166.9 Ų166.972%0.72183%0.832SS**  trans-82.5164.5-167.335.1-37.5000113.5V120P118-V120 HydrophobicContact CB-CG2 4.45Å
119N44.4Very low43.7Very low162 Ų162169.3 Ų169.387%0.86683%0.832SS**  trans-12591.4172.7-173.249.4000109.6
120V41.4Very low43.3Very low130 Ų130169.1 Ų169.179%0.78883%0.831SS**  trans-115.299.1-179.6177.70000108.8P118P118-V120 HydrophobicContact CB-CG2 4.45Å
121E45.3Very low43.2Very low172 Ų172169.3 Ų169.380%0.80483%0.832SS**  trans-173.1101.6161.8-117.6-178.4-176.700111.7
122Q41.3Very low43.1Very low190 Ų190169.6 Ų169.689%0.88883%0.828SS**  trans158.8107143.6-92.2159.389.900111.8
123L40.5Very low43.1Very low177 Ų177164.4 Ų164.493%0.92781%0.811SS**  178.670123.8-98.2164.7000111.2
124E43.8Very low42.9Very low155 Ų155164.1 Ų164.172%0.72481%0.809SS**SBendtrans-132.7147.7162.4-134.8-164.213600111.2
125N39.9Very low42.8Very low132 Ų132162.9 Ų162.971%0.70681%0.808SS**  trans5383.5163.5-59.8-40.9000118.8
126Q42Very low42.9Very low189 Ų189163.3 Ų163.388%0.88381%0.81SS**  trans-135.279.3150.9-99.1-162.779.200112.3
127Q42Very low42.7Very low174 Ų174163 Ų16381%0.81381%0.806SS**  trans-169.778.8142.3-112.5164.5106.700115.8
128E46.6Very low43Very low199 Ų199159.2 Ų159.293%0.9380%0.798SS**  trans-138.6162.6141-154.5148-136.900110.6
129K42Very low43.2Very low160 Ų160161 Ų16170%0.69680%0.796SS**  trans-148.9149.7-159.3-70.2176.1179.1160.70113.8
130K44Very low43.1Very low192 Ų192160.2 Ų160.284%0.83579%0.785SS**  trans70.6140.4177.3-39.8170.5179.9174.20110.9
131D45.8Very low43Very low141 Ų141160.1 Ų160.175%0.75478%0.776SS**  cis-148.217247.5-86.8-26.2000110.2
132E45.2Very low42.8Very low164 Ų164157.4 Ų157.477%0.76677%0.767SS**  cis-157.7172.6-30.2-141.3-167.2-155.600109.1
133T40.1Very low42.5Very low96 Ų96154.2 Ų154.259%0.58976%0.761SS**  trans60.189.1144.7-56.80000121.6
134E43.8Very low42.4Very low178 Ų178153.1 Ų153.183%0.83276%0.756SS**  52.6113.8118.1-169.1173.7-150.300121.9
135T43.1Very low42Very low130 Ų130155 Ų15580%0.79877%0.765SS**  trans-149.7130146.8-41.20000114.7
136E43.7Very low42Very low187 Ų187157.2 Ų157.287%0.87477%0.771SS**  trans24129.4160.9-60.1-163.3106.600126.2
137K41.3Very low42.6Very low193 Ų193153.1 Ų153.184%0.83976%0.761SS**  trans-72.7-178.1152.4-107.3171.3-178.7158.20112.2
138P45.5Very low42.7Very low111 Ų111154 Ų15472%0.72177%0.765SS**  cis-125.1-142-5.931-5.6000110.5
139E45.1Very low42.3Very low148 Ų148152.2 Ų152.269%0.69275%0.754SS**  cis-137.9155.64.4-96.2-111.3131.200107.1
140K43.3Very low42.7Very low146 Ų146151.8 Ų151.864%0.63575%0.754SS**  61.614063.9-77.3168.8156.9-103.40114.1
141E38.7Very low42.7Very low128 Ų128151.8 Ų151.860%0.59876%0.757SS**  cis-161.3167.8-1.7-138.2173.897.800113.2
142N40.6Very low42.3Very low115 Ų115154 Ų15462%0.61576%0.763SS**  trans8299149.2-77.4-50.6000125
143T36.4Very low41.7Very low123 Ų123152 Ų15276%0.75576%0.758SS**  62.7133.898.6-54.10000121.2
144N37Very low41.2Very low154 Ų154155.4 Ų155.482%0.82477%0.765SS**  trans-155.8118.8157.8-135.6-24.1000113.7
145Q35.3Very low40.8Very low196 Ų196155.2 Ų155.292%0.91676%0.764SS**  trans-168.1142.9146.3-112.2164.392.900113.6
146E41.4Very low40.4Very low177 Ų177152.3 Ų152.383%0.82776%0.76SS**  trans-67.4-170.3-171.7-109.5-170.1119.600116.9
147P54.8Low40.4Very low103 Ų103152.6 Ų152.667%0.66976%0.761SS**  cis-138.1171.5-14.628.2-6.5000116.6
148E43Very low40.7Very low194 Ų194153 Ų15391%0.90776%0.763SS**  trans-138.1-179.3146.9-84.7-142.4144.900111.7
149K37.4Very low40.8Very low160 Ų160152.3 Ų152.370%0.69676%0.758SS**  trans-103.7166.8-152.1-61.3164124.2-121.70117.1
150E52.3Low40.5Very low151 Ų151152.7 Ų152.771%0.70676%0.76SS**  trans64.692.9138.2-78.2157.1-175.200119.9
151E43.7Very low40Very low192 Ų192154.4 Ų154.490%0.89777%0.768SS**  trans43.5106.6139.6-57.8-173165.600121.6
152E37.6Very low39.7Very low188 Ų188152.7 Ų152.788%0.87978%0.776SS**  trans-152.9-175.1130.3-116.7-146107.800114.8
153N32Very low39.5Very low122 Ų122156.2 Ų156.265%0.65279%0.788SS**  trans-98.9162.2-152.2-66.2-84.5000117.4
154F30.3Very low39.3Very low168 Ų168153.4 Ų153.474%0.73778%0.783SS**  trans77.8124.2139.1-103.5-123.4000122.4
155E35.2Very low39.2Very low174 Ų174154.6 Ų154.681%0.81378%0.784SS**  49.7117.9118.2-160173.8-106.700121.2
156G34.1Very low39.1Very low69 Ų69153.6 Ų153.671%0.71178%0.779SS**  trans133.8116.3167.100000112.3
157E43.1Very low39.1Very low192 Ų192150.3 Ų150.390%0.89777%0.772SS**  61.5110.480.4-84.5-159.2106.300116.8
158K49.1Very low38.6Very low203 Ų203151.5 Ų151.588%0.88378%0.777SS**  trans-1.8126147.7174.1174.3-178.4171.40116.7
159P46.1Very low38.9Very low95 Ų95147.7 Ų147.762%0.61777%0.769SS**  -150.3177.4105.142.1-26.8000116.5
160E40.1Very low39.4Very low157 Ų157147.1 Ų147.173%0.73477%0.767SS**  trans65.5129158.9-71.2166.7141.600117.9
161K31.3Very low39Very low181 Ų181147.1 Ų147.179%0.78777%0.767SS**  cis90.2122.335-78.9-168.5-174.5175.30113.5
162A32.3Very low39.3Very low93 Ų93142.5 Ų142.577%0.76975%0.754SS**  trans55.1-170.4145.500000114.1
163E36.5Very low39.7Very low189 Ų189142 Ų14288%0.88375%0.751SS**  cis-119.8160.2-8.1-64.6177143.100106.1
164G33.7Very low40.4Very low63 Ų63143 Ų14365%0.64975%0.752SS**  cis10215139.900000109.7
165E34Very low41.1Very low179 Ų179142 Ų14284%0.83675%0.749SS**  trans80130.5-166.4-49.4-173153.900113.7
166Q33.6Very low41.7Very low175 Ų175139.7 Ų139.782%0.81874%0.737SS**SBendcis-120.9104.96.7-73.5-175.66.900111.2
167T41.9Very low42.4Very low109 Ų109144.6 Ų144.667%0.66974%0.741SS**  80.290.593.460.80000117
168T43.5Very low42.9Very low128 Ų128140 Ų14079%0.78573%0.728SS**  1.2147.8125.755.30000117.9
169P48.5Very low42.8Very low113 Ų113138.6 Ų138.673%0.73473%0.725SS**  cis-141.9-168.540.643.4-23000114.1
170K48.6Very low42.8Very low149 Ų149142.5 Ų142.565%0.64874%0.735SS**  cis-167.5140.121.4-149168.4-174.2-73.20113.4
171E45Very low43.3Very low150 Ų150139.1 Ų139.170%0.70173%0.726SS**  trans71.8154.5141.1-84169.1-15900123
172P48.5Very low43.8Very low96 Ų96138.2 Ų138.262%0.62373%0.725SS**  -151.1-152.2-122.742.5-16.7000115.9
173E46.2Very low44.3Very low178 Ų178139.8 Ų139.883%0.83272%0.72SS**  trans70.8143.5153.2-74.7159.4-167.700118.9
174E47.2Very low44.3Very low142 Ų142135.7 Ų135.766%0.66471%0.708SS**  cis-137.7-124.7-28.7-151.2-151.3115.600107.9K176E174-K176 VanDerWaalsContact OE1-CG 3.29Å; E174-K176 WeakPolarHBondContact OE1-CG 3.39Å; E174-K176 IonicContact OE1-NZ 2.94Å; E174-K176 PolarHBondContact OE1-NZ 2.95Å; E174-K176 IonicContact OE2-NZ 2.74Å; E174-K176 PolarHBondContact OE2-NZ 3.23Å
175E45.1Very low44.5Very low147 Ų147139.9 Ų139.969%0.68771%0.711SS**  cis-152.296.7-8.1-167.1158.3-15500113.5
176K46.4Very low44.8Very low125 Ų125136.7 Ų136.754%0.54370%0.699SS.*  trans66.6175.5152.9-52.5173.8-177.863.90117.6E174E174-K176 VanDerWaalsContact OE1-CG 3.29Å; E174-K176 WeakPolarHBondContact OE1-CG 3.39Å; E174-K176 IonicContact OE1-NZ 2.94Å; E174-K176 PolarHBondContact OE1-NZ 2.95Å; E174-K176 IonicContact OE2-NZ 2.74Å; E174-K176 PolarHBondContact OE2-NZ 3.23Å
177E48.9Very low45.2Very low172 Ų172135.1 Ų135.180%0.80469%0.692SS**  cis-146.8-161.14.8-143.1167-152.100111.3
178P54.7Low45.1Very low95 Ų95137.1 Ų137.162%0.61769%0.694SS**  -133.7-164.4-107.450.2-34.6000119.1
179E47.4Very low44.9Very low175 Ų175136.5 Ų136.582%0.81869%0.69SS**  trans77.5138.6157.5-70175.4-179.500118.6
180E44.5Very low44.7Very low177 Ų177138.8 Ų138.883%0.82769%0.691SS**  cis122.7157.99.2-91.3-139.2151.200112.1
181P52.2Low44.4Very low86 Ų86138.5 Ų138.556%0.55870%0.697SS**  -141.8-151.8-7136.5-12.1000113.5
182Q41.1Very low44.2Very low162 Ų162134.9 Ų134.976%0.75770%0.7SS**  trans86.6151.1163.6-46.3-176.720.800116.8
183N42.3Very low43.6Very low125 Ų125137.3 Ų137.367%0.66871%0.707SS**  cis-152.2159.31.8-137.81.7000116.5
184T37.4Very low43.4Very low103 Ų103136.3 Ų136.363%0.63270%0.703SS**  trans-24.1169.4158.655.10000121.7
185Q38.6Very low43Very low152 Ų152136.7 Ų136.771%0.7171%0.71SS**  cis167.3158.9-18-169.5-172.5-1300109.5
186N39.2Very low42.7Very low111 Ų111135.5 Ų135.559%0.59471%0.708SS**  trans84.5138.6144.5-107.732.4000123.1
187E42.4Very low42.4Very low142 Ų142137 Ų13766%0.66472%0.717SS**  trans74.1142.9146-70.3175102.200119.1
188Q40.5Very low42.1Very low151 Ų151136.9 Ų136.971%0.70672%0.716SS**  cis-159156.811.9-126.9166.341.400111.5
189T39.4Very low41.3Very low116 Ų116141.3 Ų141.371%0.71273%0.729SS**  trans25.1145149.716.20000121.7
190E44Very low40.7Very low161 Ų161141.7 Ų141.775%0.75273%0.728SS**  cis-169.3135.543-162.5163.5-170.300115.9
191N41.8Very low40.4Very low142 Ų142139.3 Ų139.376%0.75973%0.725SS**  trans33.4136.9149.9-53.7-32.3000125.2
192G39.6Very low39.9Very low75 Ų75138.7 Ų138.777%0.77373%0.727SS**  trans109.1104.3150.600000114.4
193N37.1Very low40Very low146 Ų146138.3 Ų138.378%0.78173%0.726SS**  cis86.514140.3-159.455.5000114.5
194E42.8Very low39.7Very low158 Ų158139.4 Ų139.474%0.73873%0.732SS**  trans88.694.8173.3-50.7-174.5-170.300118.2
195N38.8Very low40.3Very low150 Ų150142.9 Ų142.980%0.80274%0.741SS**  66.5113.1126.4-64.815.1000123
196N37.9Very low40.6Very low121 Ų121143.3 Ų143.365%0.64774%0.742SS**  69.2137.5102.9-148.553.5000120.8
197E39.2Very low40.7Very low158 Ų158144.6 Ų144.674%0.73875%0.754SS**  trans60.9141.3175.6-72128.2-16700115.2
198E42.7Very low40.7Very low169 Ų169145.4 Ų145.479%0.7976%0.755SS**  cis-152169.18.7-136.3163.5176.900110.5
199E39.4Very low41.1Very low187 Ų187147 Ų14787%0.87476%0.763SS**  trans42.8102.7169.7-71.3-176.7104.100119.8
200K34.8Very low41.3Very low184 Ų184149 Ų14980%0.876%0.764SS**  trans-153.491.1154.6-129.3-167.2-179.3-121.50112.8
201T38Very low41.4Very low127 Ų127144.1 Ų144.178%0.77975%0.751SS**  trans-80.4128.8147.240.10000106.9
202A41.1Very low41.6Very low72 Ų72144.1 Ų144.160%0.59575%0.751SS**  56.594.668.600000108.2
203Q43.7Very low41.9Very low155 Ų155149.6 Ų149.672%0.72476%0.756SS**  cis545234.3-60.6-161.5-94.300112.7
204D35Very low42.1Very low148 Ų148149.9 Ų149.979%0.79175%0.753SS**  trans-67.4159.9140.5-73.5-33.6000109.8
205E50.2Low42.4Very low176 Ų176152.1 Ų152.182%0.82276%0.764SS**  trans-59.8136.5-179.1-64126.4161.500111.3
206E44.4Very low42.9Very low160 Ų160153.9 Ų153.975%0.74877%0.767SS**  cis47.254.515.5-89-153.512300115.7K208E206-K208 PolarHBondContact O-N 3.03Å; E206-K208 VanDerWaalsContact O-N 3.13Å
207V42.1Very low43.4Very low138 Ų138155 Ų15584%0.83677%0.766SS**SBend51.458.4111.9-172.90000113.8
208K43.4Very low43.7Very low160 Ų160154.9 Ų154.970%0.69677%0.765SS**  trans-156.245.8163.2-135.3-177.1179.5179.90121.1E206E206-K208 PolarHBondContact O-N 3.03Å; E206-K208 VanDerWaalsContact O-N 3.13Å
209E47.4Very low43.9Very low183 Ų183156.6 Ų156.686%0.85577%0.773SS**  trans-146.2101154.5-151.7153.3-125.200108.3A211E209-A211 HydrophobicContact CG-CB 4.11Å
210Q45Very low43.8Very low160 Ų160155.3 Ų155.375%0.74877%0.768SS**  cis6346.34.3-162.6170.281.500115.3
211A46.2Very low44.3Very low57 Ų57156.4 Ų156.447%0.47177%0.772SS.*  trans-155.2108.8151.100000110.4E209E209-A211 HydrophobicContact CG-CB 4.11Å
212D44Very low44.5Very low142 Ų142154.3 Ų154.376%0.75977%0.768SS**  trans12.7137135-35.3-34.9000117.9
213Q46Very low44.3Very low190 Ų190159.5 Ų159.589%0.88878%0.78SS**  trans84.3116.8-173.8-50.1144.7109.200112.6
214E41.3Very low44Very low152 Ų152157.9 Ų157.971%0.7177%0.772SS**SBendcis-135.1-7.635.1-170159.3-133.200116E216 K217E214-E216 PolarHBondContact O-N 3.43Å; E214-K217 PolarHBondContact O-N 3.2Å
215E50.7Low44.4Very low206 Ų206158.7 Ų158.796%0.96377%0.771SS**SBendtrans-64.2-7.4-178.3-72.5-175.2115.200115.1K217E215-K217 VanDerWaalsContact C-N 3.27Å; E215-K217 PolarHBondContact O-N 2.95Å
216E48.6Very low43.9Very low186 Ų186157.5 Ų157.587%0.86976%0.763SS**SBendtrans-93.343.9169.2-158.1174.6-145.200111.3E214E214-E216 PolarHBondContact O-N 3.43Å
217K47.6Very low43.4Very low145 Ų145156.3 Ų156.363%0.6377%0.767SS**  trans-142.5132.8166.4-84.3-169.61781790111E214 E215E214-K217 PolarHBondContact O-N 3.2Å; E215-K217 VanDerWaalsContact C-N 3.27Å; E215-K217 PolarHBondContact O-N 2.95Å
218E46.4Very low43.4Very low155 Ų155159.3 Ų159.372%0.72477%0.772SS**  cis-138.8109.11.9-154.1157.7-132.300109.3E220E218-E220 PolarHBondContact O-N 3.41Å
219E47.5Very low43.1Very low205 Ų205160.7 Ų160.796%0.95878%0.778SS**  trans-73.232-176-158.1-172.1167.700112.7
220E36.8Very low42.7Very low161 Ų161155.2 Ų155.275%0.75277%0.77SS**  trans-144.356.8-163.3-152.4-175.715500115.7E218E218-E220 PolarHBondContact O-N 3.41Å
221K45.6Very low42.3Very low207 Ų207156 Ų15690%0.977%0.774SS**  trans176.9144147.2-101.3149.5-172165.40112.4
222A41.8Very low41.7Very low82 Ų82162.1 Ų162.168%0.67879%0.793SS**  cis-159.4118.3-30.200000104.1
223E36.1Very low41.3Very low182 Ų182162.2 Ų162.285%0.8579%0.789SS**  61.1115.994.3-156.2178.6-158.200114.5
224E37.2Very low40.8Very low120 Ų120160.7 Ų160.756%0.56178%0.782SS**  trans67.7155.7-178.5-33-156121.800116.9K226E224-K226 IonicContact OE1-NZ 2.78Å; E224-K226 PolarHBondContact OE1-NZ 3.13Å
225Q43.9Very low40.3Very low166 Ų166156.7 Ų156.778%0.77677%0.774SS**  cis-126.1122.1-0.4-70.5175.43.700108.5
226K40.4Very low39.7Very low151 Ų151154.6 Ų154.666%0.65777%0.77SS**  82.610265.5-74.8176.6178.4173.60115.3E224E224-K226 IonicContact OE1-NZ 2.78Å; E224-K226 PolarHBondContact OE1-NZ 3.13Å
227T33.3Very low39Very low135 Ų135150.1 Ų150.183%0.82876%0.764SS**  trans56.5123.6139.756.40000121.8
228E42.3Very low38.7Very low200 Ų200150.8 Ų150.894%0.93578%0.775SS**  -135.6152.2121.7-169.1157.2-148.600110.4
229K37.5Very low38.3Very low190 Ų190152.4 Ų152.483%0.82678%0.78SS**  trans-159.8125-169.8-179.5-174.5175.8-175.80112.6
230G38.2Very low38.5Very low67 Ų67148.1 Ų148.169%0.69177%0.769SS**  trans154.3133.5172.500000108.9
231E36.2Very low38.8Very low177 Ų177149.4 Ų149.483%0.82778%0.775SS**  cis78.6141.233.3-61.5-165.1105.600116.1
232E34.8Very low38.4Very low186 Ų186146.1 Ų146.187%0.86976%0.763SS**  trans68151.3176.5-66.3-168.8159.700119.3
233E35.5Very low38.3Very low144 Ų144149.6 Ų149.667%0.67377%0.766SS**  cis-165.7148.1-41.4-127.7-143.4138.600112.2
234Q34.9Very low38.5Very low158 Ų158147.6 Ų147.674%0.73875%0.754SS**  trans57.7172.5161-43.8-175.511.300118.5
235A31.9Very low38.5Very low67 Ų67149.8 Ų149.855%0.55476%0.764SS**  cis-156151.13.600000113.9
236N36.6Very low38Very low163 Ų163147.5 Ų147.587%0.87276%0.762SS**  trans60.9161.5152.9-56.9-39000119.3
237A35.3Very low37.8Very low91 Ų91149.1 Ų149.175%0.75277%0.772SS**  cis-164.6169.9-25.700000105.6
238D41.1Very low38Very low159 Ų159151.1 Ų151.185%0.8577%0.772SS**  cis-166.8-164.737.4-154-24.1000111.4
239K36.7Very low38.2Very low190 Ų190145.6 Ų145.683%0.82675%0.753SS**  trans-102.8168.3-158.5-94.8-174.5170.1-171.30120.6
240P52.7Low38Very low114 Ų114145.3 Ų145.374%0.7475%0.752SS**  trans-110.2-179.7170.943-34.5000115
241E42.4Very low37.7Very low189 Ų189149.4 Ų149.488%0.88376%0.758SS**  trans-154160.8172.5-150.8158.5-122.600115.9
242E37.6Very low37.8Very low137 Ų137147.2 Ų147.264%0.6476%0.757SS**  trans-28.8165.5-174.6-67.6-175.9-179.600123.4K244E242-K244 VanDerWaalsContact CD-NZ 3.32Å; E242-K244 IonicContact OE1-NZ 2.85Å; E242-K244 IonicContact OE2-NZ 2.68Å; E242-K244 PolarHBondContact OE2-NZ 3.43Å
243E39Very low38.2Very low156 Ų156143.4 Ų143.473%0.72975%0.748SS**  cis122.3147.82.4-166.6-172.8-108.300114.8
244K40.6Very low38.4Very low140 Ų140144.4 Ų144.461%0.60975%0.753SS**  trans125.9125.2160.9-72.5136.2-167.5163.70114.8E242E242-K244 VanDerWaalsContact CD-NZ 3.32Å; E242-K244 IonicContact OE1-NZ 2.85Å; E242-K244 IonicContact OE2-NZ 2.68Å; E242-K244 PolarHBondContact OE2-NZ 3.43Å
245E38.2Very low38.4Very low165 Ų165144.5 Ų144.577%0.77175%0.753SS**  cis77.5148.432-143.8-127.9-129.700112.4
246T32.8Very low38.6Very low118 Ų118147.4 Ų147.472%0.72476%0.755SS**  cis-109.6-146.6-2-17.70000111.6
247E36.5Very low38.9Very low186 Ų186146.8 Ų146.887%0.86975%0.749SS**  cis-150.2178.512.6-153.1-167.4144.400110.2
248E36.4Very low39.1Very low177 Ų177148.7 Ų148.783%0.82774%0.742SS**  trans-128.2-143.9-167-149.9-156.3-152.500115.6
249P48Very low39.1Very low83 Ų83148.5 Ų148.554%0.53973%0.734SS.*  trans-128175.6-133.843-24.1000117.8
250K33.1Very low39.2Very low185 Ų185146.8 Ų146.880%0.80473%0.729SS**  trans173140.1133.2-95.1149.3-169.11530118
251N32Very low38.5Very low152 Ų152148.9 Ų148.981%0.81373%0.734SS**  trans78.7149.9143.7-65.4-1.7000124.6
252T37.7Very low38.4Very low131 Ų131147.1 Ų147.180%0.80473%0.726SS**  trans-88.7-175.2-173.940.90000113.4
253P44.1Very low38.4Very low107 Ų107148.1 Ų148.170%0.69574%0.735SS**  cis-148.9-149.625.243.6-18.4000117.9
254E38.4Very low38.5Very low164 Ų164145.1 Ų145.177%0.76672%0.721SS**  trans81.2115.3167-73.7165.9170.700118.3
255E35.5Very low38.7Very low160 Ų160146.8 Ų146.875%0.74873%0.731SS**  76.814793.1-74.4-147.1129.600114.7
256Q35.2Very low38.6Very low129 Ų129144.7 Ų144.760%0.60372%0.722SS**  cis-165.7160.120.2-134169.743.500111.4
257M43.2Very low39.1Very low149 Ų149145.6 Ų145.673%0.73472%0.715SS**  trans61.9161154.6-76.6-168.6-82.800121.5
258E40.1Very low39.3Very low131 Ų131144.5 Ų144.561%0.61271%0.71SS**  cis-172.8155-37.8-140.1-168.1163.800110.8
259K41.2Very low39.5Very low155 Ų155142 Ų14267%0.67471%0.709SS**  trans65.5159.4159.3-73.1155.8-178.6143.30120.3
260E38.9Very low39.2Very low155 Ų155145.5 Ų145.572%0.72472%0.722SS**  cis165.4131.2-30.5169.8177-133.400108.5
261N37.7Very low39.3Very low158 Ų158144 Ų14485%0.84572%0.718SS**  trans170.3149.1136.9-100.4-82.7000113.2
262Q40Very low39.7Very low152 Ų152144.1 Ų144.171%0.7171%0.714SS**  trans-103.6171-178.9-62.6165.6-97.200112.9E264Q262-E264 PolarHBondContact NE2-OE1 3.03Å
263N38.5Very low39.8Very low157 Ų157146 Ų14684%0.8471%0.714SS**  trans-167.9125.4132-167.794.7000112.7
264E39.8Very low39.4Very low93 Ų93147.5 Ų147.544%0.43572%0.716SS.*  trans-96.5164.7176.1-51.5106.9-167.700113.9Q262 E1018Q262-E264 PolarHBondContact NE2-OE1 3.03Å; E264-E1018 HydrophobicContact CG-CG 4.4Å
265E45.1Very low39.4Very low175 Ų175144.8 Ų144.882%0.81872%0.721SS**  trans-159.7132.8143.5-142.9-162.7131.600113.6K267E265-K267 IonicContact OE1-NZ 2.67Å; E265-K267 PolarHBondContact OE1-NZ 3.07Å
266E37.1Very low39.5Very low122 Ų122144.5 Ų144.557%0.5773%0.725SS**  trans-92.2161.6-170.4169.8-101.417000114.6
267K42.8Very low39.4Very low136 Ų136143.7 Ų143.759%0.59173%0.729SS**  trans177.6114.3142.6-95.9149.1-146.576.80118E265E265-K267 IonicContact OE1-NZ 2.67Å; E265-K267 PolarHBondContact OE1-NZ 3.07Å
268Q40Very low39.3Very low164 Ų164145.7 Ų145.777%0.76674%0.736SS**  trans62.1134.8134.1-61.4-168.5-23.800124.6
269P41.2Very low39Very low123 Ų123143.5 Ų143.580%0.79974%0.74SS**  trans-106.2167.9171.640.8-35.1000116.1
270L42.2Very low38.7Very low157 Ų157140.9 Ų140.982%0.82275%0.748SS**  trans-157.6159.5165.7-84.4109.3000108.3
271Q34.7Very low38.5Very low153 Ų153141.2 Ų141.272%0.71575%0.75SS**  cis-164.3164.8-27.6179.4164.89.900106.9
272E40.1Very low38.6Very low155 Ų155141.3 Ų141.372%0.72475%0.745SS**  trans-58.1157.8176.7-42.9114.5121.900114.2
273E40Very low38.3Very low170 Ų170141.1 Ų141.179%0.79474%0.744SS**  170.6131.496.8-162.6177.9170.300114.8
274N36.1Very low38.2Very low140 Ų140141.9 Ų141.975%0.74974%0.74SS**  trans10.7135.7153.7-48.8-43.2000122.7
275A38Very low38.1Very low106 Ų106146.1 Ų146.188%0.87676%0.757SS**  -162149124.300000112.3
276N37.2Very low38.1Very low154 Ų154144.4 Ų144.482%0.82475%0.749SS**  trans-132.7170.5-178.2-176.112.6000109.9
277V34.1Very low37.9Very low113 Ų113148 Ų14869%0.68577%0.766SS**  trans81.2104.1163.4-166.70000117.7
278E40.7Very low37.6Very low191 Ų191148 Ų14889%0.89377%0.767SS**  -177.3144.4117.8-98.1-177.7157.300108.1
279A33.4Very low37.5Very low84 Ų84147.4 Ų147.469%0.69476%0.763SS**  cis161.4106.8-25.500000106.3
280A35Very low37.3Very low101 Ų101147.8 Ų147.884%0.83576%0.758SS**  trans29.5122.115900000122.1
281Q34.7Very low37.2Very low162 Ų162148 Ų14876%0.75776%0.76SS**  trans-166.4145.8130.7-113.6-176.1-7800112.1
282E40.1Very low37.1Very low159 Ų159149.2 Ų149.274%0.74377%0.766SS**  trans49.2108.6152.5-66.8159.9178.500117.4
283E34.4Very low37.1Very low149 Ų149149.7 Ų149.770%0.69677%0.768SS**  cis64.9115.739.7-147.5-160.4164.100115.4
284K36Very low36.9Very low173 Ų173151.4 Ų151.475%0.75278%0.776SS**  trans60.197.2160.6-75.9163.6-175.5151.50120
285K37.5Very low36.9Very low181 Ų181148.6 Ų148.679%0.78777%0.772SS**  trans-178.5149.1135.3-101.9156.5178.9-74.70109.1
286E44.2Very low37Very low140 Ų140152.2 Ų152.265%0.65477%0.771SS**  cis-151127.39.2-152.1141-132.600109.4
287Q34.6Very low36.9Very low197 Ų197153.2 Ų153.292%0.92177%0.771SS**  trans-118.192.9172.4-178.8-169.914.100107.9
288E36.5Very low36.8Very low135 Ų135154 Ų15463%0.63178%0.776SS**  trans-155.5125.3172.4-98.6-16511600110.2
289K37.8Very low36.8Very low153 Ų153148.5 Ų148.567%0.66577%0.769SS**  trans77.2149.6137-63.5-176.9159.21450119.8
290D37.2Very low37Very low130 Ų130154.3 Ų154.370%0.69578%0.779SS**  cis-153.3165.8-11.2-106.1-25.8000108
291D38.2Very low37.3Very low161 Ų161154.9 Ų154.986%0.86177%0.774SS**  trans-64.8140170-61.2-77.2000112.7
292E33.7Very low37.4Very low180 Ų180152.5 Ų152.584%0.84178%0.776SS**  trans-153.3105.6155.7-148.1165.7-153.600111.3
293E40.2Very low37.4Very low165 Ų165152 Ų15277%0.77178%0.778SS**  trans39.3113.6149.6-53.6-177.8154.600118.4A295E293-A295 PolarHBondContact O-N 3.28Å
294Q35.5Very low37.8Very low205 Ų205149.5 Ų149.596%0.95878%0.775SS**  38.258.166.6-71.7-132.632.200115.7
295A35.2Very low38Very low82 Ų82148.6 Ų148.668%0.67877%0.773SS**  trans-154.1144.2160.500000109.1E293E293-A295 PolarHBondContact O-N 3.28Å
296E41.2Very low37.9Very low181 Ų181147.6 Ų147.685%0.84677%0.772SS**  cis-125.3139.9-5.6-59.8164.6110.900105.8
297E34.4Very low37.7Very low176 Ų176149.6 Ų149.682%0.82277%0.773SS**  56.314272.7-137.5-147.5139.200116.3
298V32.9Very low37.9Very low130 Ų130149.5 Ų149.579%0.78877%0.773SS**  trans62.4119167.7-1620000118.4
299G40.2Very low38Very low74 Ų74149.9 Ų149.976%0.76377%0.774SS**  trans-176.21.5173.200000123.6
300K38.6Very low38.4Very low206 Ų206150.6 Ų150.690%0.89678%0.78SS**  trans-59.5152.5168-80.9-177.8179.7176.30109.8
301P41.3Very low38.8Very low113 Ų113149.3 Ų149.373%0.73478%0.779SS**  cis-152-171.139.841.5-19.3000118.2
302S36.6Very low38.8Very low113 Ų113148.7 Ų148.779%0.7977%0.771SS**  trans97.7112.8146.2-61.70000121.4
303N39.3Very low39.2Very low147 Ų147146.7 Ų146.779%0.78677%0.766SS**  trans-46172.9145.1-124.513.1000112.5
304P43.6Very low39.1Very low98 Ų98146.2 Ų146.264%0.63676%0.764SS**  cis-151.6173.135.947.3-27.3000120.1
305E39.5Very low39.7Very low154 Ų154141.5 Ų141.572%0.7275%0.751SS**  trans53.6145131.5-72166.5106.100125.3
306E35.2Very low39.6Very low160 Ų160142.7 Ų142.775%0.74876%0.76SS**  trans67.1134.8150.1-70.7-170.6139.900120.2
307R39.2Very low39.2Very low182 Ų182137.3 Ų137.369%0.68775%0.753SS**  cis98.4117.630.3179.9-172.5-179.3142.71112.6E309R307-E309 HydrophobicContact CG-CG 3.93Å; R307-E309 IonicContact CZ-OE1 2.67Å; R307-E309 IonicContact NE-OE1 2.61Å; R307-E309 PolarHBondContact NE-OE1 3.35Å; R307-E309 IonicContact NH2-OE1 2.78Å; R307-E309 PolarHBondContact NH2-OE1 2.85Å
308E40Very low39.6Very low195 Ų195138.3 Ų138.391%0.91176%0.758SS**  trans-165.799.8155.9-102.6-179.2-17300104.3
309E39.1Very low39.7Very low143 Ų143138.4 Ų138.467%0.66876%0.759SS**  90.7161.261-70.3-150.6151.100115.3R307R307-E309 HydrophobicContact CG-CG 3.93Å; R307-E309 IonicContact CZ-OE1 2.67Å; R307-E309 IonicContact NE-OE1 2.61Å; R307-E309 PolarHBondContact NE-OE1 3.35Å; R307-E309 IonicContact NH2-OE1 2.78Å; R307-E309 PolarHBondContact NH2-OE1 2.85Å
310E45.2Very low39.7Very low168 Ų168142.3 Ų142.379%0.78576%0.757SS**  trans-93.7-159-160.4-155177.417300111.5
311P45.6Very low39.9Very low102 Ų102139.4 Ų139.466%0.66275%0.745SS**  -147.3171.972.337.6-16.7000116.5
312E38.7Very low40Very low148 Ų148141.1 Ų141.169%0.69274%0.743SS**  trans-66.1170.9176.3-48.2172.586.100114.6
313D42.2Very low40.3Very low139 Ų139143.2 Ų143.274%0.74374%0.742SS**  -171.3113.6115.3-133.3-13.2000113.5
314Q37.5Very low40.4Very low155 Ų155142.4 Ų142.472%0.72474%0.738SS**  33.5170.6128.6-60.3-16718.300124
315P48.4Very low40.1Very low106 Ų106139.6 Ų139.669%0.68872%0.723SS**  -142.5-170.4-52.743.3-26.9000113.6
316A33.4Very low40.2Very low106 Ų106138.9 Ų138.988%0.87672%0.72SS**  trans68.7151.6157.800000118.8
317G31.7Very low40.3Very low68 Ų68139.3 Ų139.370%0.70172%0.722SS**  cis171.5-159.8-2.400000112.6
318E43Very low40.6Very low198 Ų198136.3 Ų136.393%0.92571%0.714SS**  trans76.691.1170.7-55.5-161.5148.300119.2
319T34.6Very low40.9Very low132 Ų132130.5 Ų130.581%0.8169%0.693SS**  trans-42155.9150.451.10000117
320E41.7Very low41Very low155 Ų155126.8 Ų126.872%0.72469%0.687SS**  trans159148.7130.4-88.8-161.8153.900111
321K41.6Very low40.8Very low145 Ų145125.8 Ų125.863%0.6369%0.687SS**  cis-176159.6-21.6-121.3178.3-159.2157.10109.7
322E44.2Very low40.6Very low150 Ų150129.2 Ų129.270%0.70169%0.694SS**  trans66.7150.4153.1-67.2166.3-173.200117.4
323M42.9Very low40.7Very low156 Ų156128 Ų12877%0.76870%0.699SS**  cis-161.1130.92.9-122.2173-151.600112.9
324N40.3Very low40.8Very low130 Ų130131 Ų13170%0.69571%0.708SS**  trans41.2131.9133-13478.8000123.8
325A39Very low40.8Very low40 Ų40133.1 Ų133.133%0.33172%0.715SS.*  142.3127.3105.400000117.7D1096A325-D1096 PolarHBondContact N-OD2 2.97Å; A325-D1096 VanDerWaalsContact O-CB 3.26Å; A325-D1096 WeakPolarHBondContact O-CB 3.36Å
326E40.7Very low40.6Very low139 Ų139137.8 Ų137.865%0.6573%0.728SS**  trans45136.4144.2-64.7153.6117.300120.2E1097E326-E1097 VanDerWaalsContact CA-N 3.33Å; E326-E1097 VanDerWaalsContact CA-O 3.31Å; E326-E1097 WeakPolarHBondContact CA-O 3.16Å; E326-E1097 WeakPolarHBondContact CG-O 3.4Å
327E37.6Very low40.8Very low168 Ų168140.2 Ų140.279%0.78573%0.726SS**  cis-161.9146.944.3-148.9173.7167.800112.5D1098E327-D1098 CarbonylContact C-O 3.43Å; E327-D1098 VanDerWaalsContact CA-O 3.23Å; E327-D1098 WeakPolarHBondContact CA-O 3.48Å
328K44.6Very low41.1Very low119 Ų119141.4 Ų141.452%0.51773%0.73SS.*  trans-98.4-157.5167.9-81.8-171.8-152.1158.80109.9D1098K328-D1098 HydrophobicContact CD-CB 4.49Å; K328-D1098 WeakPolarHBondContact CD-OD1 3.28Å; K328-D1098 VanDerWaalsContact CE-CG 3.46Å; K328-D1098 WeakPolarHBondContact CE-OD1 3.4Å; K328-D1098 VanDerWaalsContact CE-OD2 3.29Å; K328-D1098 WeakPolarHBondContact CE-OD2 3.44Å; K328-D1098 VanDerWaalsContact N-C 3.34Å; K328-D1098 PolarHBondContact N-O 2.92Å; K328-D1098 IonicContact NZ-OD1 3.87Å; K328-D1098 PolarHBondContact NZ-OD1 3.44Å; K328-D1098 IonicContact NZ-OD2 3.12Å; K328-D1098 PolarHBondContact NZ-OD2 2.8Å
329P47.2Very low40.9Very low73 Ų73137.3 Ų137.347%0.47472%0.723SS.*  cis-143.8-179-4.448.9-32000119.7A1099 T1100P329-A1099 WeakPolarHBondContact CG-O 3.44Å; P329-T1100 HydrophobicContact CB-CG2 3.95Å; P329-T1100 HydrophobicContact CG-CG2 3.88Å
330A41.1Very low41.1Very low65 Ų65140.1 Ų140.154%0.53773%0.727SS.*  trans90.7145.4136.200000122.2T1100A330-T1100 HydrophobicContact CB-CG2 4.41Å
331D40.4Very low41Very low147 Ų147136.2 Ų136.279%0.78673%0.728SS**  trans63.4145.3154.8-53.7-22.1000119
332E40.9Very low40.7Very low175 Ų175138 Ų13882%0.81874%0.738SS**  cis-152.5161.7-0.9-128.7176159.400109.4
333P41.8Very low40.9Very low122 Ų122139.1 Ų139.179%0.79274%0.743SS**  trans-105.2127.8178.335.2-24.9000113.4
334E43.5Very low40.8Very low201 Ų201139.9 Ų139.994%0.93974%0.743SS**  trans-105.7146171-69.6-166.2128.400112.4
335K38.3Very low41.1Very low201 Ų201141.4 Ų141.487%0.87474%0.743SS**  trans-108.7123.8175.6-60.3176.2-179.3-179.50108.8
336E43.5Very low41.4Very low203 Ų203145.2 Ų145.295%0.94975%0.754SS**  trans-87.4132162.5-70.7-166.813400110
337N38.2Very low41.5Very low157 Ų157146.8 Ų146.884%0.8476%0.761SS**  trans-162.1145.5175.8-156.5-1.5000109.7
338A37.5Very low41.7Very low94 Ų94144.9 Ų144.978%0.77776%0.756SS**  trans63.4156.8179.700000115.8
339S40Very low41.6Very low112 Ų112145 Ų14578%0.78376%0.763SS**  cis-166167.2-7174.70000109.5
340E37.9Very low41.4Very low191 Ų191149.2 Ų149.289%0.89378%0.776SS**  134.1129126.6-164.1164.5-139.800115.6
341G38.9Very low41.6Very low72 Ų72152.5 Ų152.574%0.74278%0.78SS**  trans173.680.2178.200000113.3
342Q36.3Very low41.7Very low182 Ų182152.1 Ų152.185%0.8577%0.774SS**  trans-139.7137.6174.4-92.9-165.9-18.400113.7
343E47.5Very low41.8Very low174 Ų174151.3 Ų151.381%0.81377%0.77SS**  trans-123127.6155.9-63.8-159.5112.200106.2
344K42.6Very low42.1Very low173 Ų173154.6 Ų154.675%0.75278%0.775SS**  63.9134.269.8-64.6171.4-173.1154.30111.6
345K45.1Very low41.9Very low161 Ų161148.5 Ų148.570%0.777%0.766SS**  cis-168.9-174.1-4-140.2149.6154.9-107.80107
346E45.1Very low42.1Very low121 Ų121147.2 Ų147.257%0.56577%0.769SS**  cis-164.4147.916.1-161.9126.9-179.400111.8
347E43.7Very low41.9Very low172 Ų172141.7 Ų141.780%0.80476%0.758SS**  trans62.4166.6156.2-72.8172.1145.100122.8
348N41.3Very low42Very low127 Ų127143.5 Ų143.568%0.67976%0.761SS**  cis-173.6155.3-47-161.224.4000113.8
349D42.5Very low42.2Very low122 Ų122147.1 Ų147.165%0.65276%0.762SS**  trans70.9156.8141-110.7-38.4000127.7
350E43.1Very low42.6Very low162 Ų162147.5 Ų147.576%0.75776%0.762SS**  trans62.2140.2158-64.3-171.9153.600120.4
351E46Very low42.8Very low133 Ų133146 Ų14662%0.62175%0.752SS**  cis-165.8160.3-7-124.9-161.2141.900113.9
352Q43.2Very low43.5Very low139 Ų139148.2 Ų148.265%0.6575%0.753SS**  trans64.3157.6147.2-73.6-179.228.500122.4
353Q42.9Very low43.7Very low158 Ų158146.9 Ų146.974%0.73875%0.747SS**  cis-172.5173.4-36.9-120.717642.200111.4
354E46.6Very low43.4Very low192 Ų192147.8 Ų147.890%0.89775%0.751SS**  trans71.3136.9170-47.5-163.1140.200118.8
355G40.4Very low43.3Very low72 Ų72148.3 Ų148.374%0.74276%0.757SS**  cis166.8129.4-15.700000118.5
356N41.3Very low43.5Very low175 Ų175145.2 Ų145.294%0.93675%0.753SS**  trans69.5157.5140.8-95.1-25.3000125.2
357A39.5Very low43.4Very low87 Ų87146.3 Ų146.372%0.71976%0.762SS**  trans84.2136.8158.300000118.8
358E42Very low43.1Very low195 Ų195142.1 Ų142.191%0.91175%0.752SS**  cis-159.6163-11.4-157.9167.1168.800111.1
359E40.3Very low43.1Very low170 Ų170144.8 Ų144.879%0.79476%0.761SS**  trans-71.3177177.6-106.7-168.7135.300114.2
360P47.9Very low43.3Very low120 Ų120146.1 Ų146.178%0.77977%0.768SS**  cis-150.1-176.633.344-22000119.8
361K43.1Very low43.6Very low160 Ų160141.2 Ų141.270%0.69675%0.75SS**  trans-88.7156.2176.5-159.2-175.8-177.1-171.70113.9
362P54.2Low43.6Very low117 Ų117137.9 Ų137.976%0.7674%0.736SS**  -142161.1110.238.7-25.7000112.5
363E40.8Very low43.6Very low155 Ų155135.9 Ų135.972%0.72473%0.726SS**  cis88.987.522.1-160.1169.1-87.600116.2
364E40.9Very low43.7Very low193 Ų193135.2 Ų135.290%0.90272%0.723SS**  178.6159.8124-95.8-171.4149.400113.2
365Q39.2Very low43.7Very low184 Ų184130.4 Ų130.486%0.8671%0.71SS**  trans-94.9-166.3179.3-81.3-171.2-81.500111
366P50.8Low43.9Very low96 Ų96134.2 Ų134.262%0.62372%0.718SS**  cis-148.6-171.510.247.5-26.9000118.7
367D41.2Very low44Very low143 Ų143133.4 Ų133.477%0.76571%0.707SS**  trans57151.9143.2-65-18.8000122.3
368S39Very low44.3Very low84 Ų84136.9 Ų136.959%0.58771%0.708SS**  cis-176.2172-16.256.90000111.3
369E40Very low44.2Very low184 Ų184130.7 Ų130.786%0.8670%0.696SS**  trans70.9124.3161.1-62.3170.3145.900117.6
370D47.5Very low44.4Very low150 Ų150131 Ų13180%0.80270%0.698SS**  cis106.8169.425-150.245.2000112.2
371P48.9Very low44.2Very low59 Ų59132.2 Ų132.238%0.38369%0.693SS.*  -139.9-166.2-89.443.8-27.6000119.2K568 E569P371-K568 CarbonylContact O-C 3.58Å; P371-K568 WeakPolarHBondContact O-CA 3.48Å; P371-K568 PolarHBondContact O-N 3.49Å; P371-E569 PolarHBondContact O-N 3.1Å
372N46.5Very low44.3Very low63 Ų63131.1 Ų131.134%0.33769%0.69SS.*  trans93.9166.5133.1100.6159.9000126.7N567 K568N372-N567 VanDerWaalsContact ND2-CA 3.33Å; N372-N567 WeakPolarHBondContact ND2-CA 3.34Å; N372-N567 PolarHBondContact ND2-OD1 3.05Å; N372-K568 WeakPolarHBondContact ND2-CA 3.46Å; N372-K568 PolarHBondContact ND2-N 3.15Å; N372-K568 WeakPolarHBondContact O-CG 3.41Å
373K42Very low43.7Very low97 Ų97131.5 Ų131.542%0.42268%0.682SS.*  trans58159.3156.4-73.9179.3-166.1-162.40118.5E566 K568K373-E566 IonicContact NZ-OE1 2.84Å; K373-E566 PolarHBondContact NZ-OE1 3.02Å; K373-K568 VanDerWaalsContact O-CE 3.28Å; K373-K568 WeakPolarHBondContact O-CE 3.49Å; K373-K568 PolarHBondContact O-NZ 3.41Å
374Q46.6Very low43.8Very low144 Ų144130.5 Ų130.567%0.67368%0.675SS**  cis-138.1139.824.2-84.2170.5-53.200109.7
375S45.8Very low43.9Very low90 Ų90128.3 Ų128.363%0.62966%0.662SS**  cis95114.74278.20000115.6
376V45.5Very low43.9Very low152 Ų152125.9 Ų125.992%0.92165%0.651SS**  trans166161.2148.2146.20000110.3
377K42.9Very low43.4Very low159 Ų159127.1 Ų127.169%0.69165%0.653SS**  -174.4158.6-59.4-152.1-162.1160.7-1480109.7
378E45Very low43Very low160 Ų160128.1 Ų128.175%0.74865%0.653SS**  trans74141164.8-69.4157-16900117
379G40.9Very low42.9Very low64 Ų64130.6 Ų130.666%0.6666%0.664SS**  cis171.7169-900000115
380E44.3Very low42.7Very low177 Ų177130.4 Ų130.483%0.82766%0.663SS**  trans64.4146.3146.7-58.4-176.1149.300119.8
381E42.3Very low42.3Very low146 Ų146132.9 Ų132.968%0.68267%0.67SS**  cis-160.4162.4-7.5-122.6-171.4165.600113.6
382E45.2Very low41.7Very low137 Ų137138 Ų13864%0.6469%0.688SS**  trans39.9117.8145-75.5-159164.600123
383E42.6Very low41.4Very low125 Ų125140.7 Ų140.758%0.58471%0.71SS**  83.1159.387.3-73.2-172.1159.100115.7
384K43.4Very low41.3Very low133 Ų133144.6 Ų144.658%0.57873%0.727SS**  cis-166.6147.8-3.1-119170.1-170141.20108.9
385K42.3Very low40.9Very low147 Ų147145 Ų14564%0.63973%0.728SS**  trans63.6168.3142-69.5172.1174.2-69.60117.8
386E39.9Very low40.3Very low134 Ų134145.9 Ų145.963%0.62673%0.73SS**  cis-156.6155.5-13.2-118.4158.3-176.400108.9
387N38.8Very low40.3Very low122 Ų122143.2 Ų143.265%0.65272%0.716SS**  trans66.3129.5157.9-68.937.5000118.1
388E33.9Very low40Very low163 Ų163141.8 Ų141.876%0.76272%0.721SS**  71.1107.153.5-175.7-164.4-12900112.7
389V36.2Very low40Very low136 Ų136139.4 Ų139.482%0.82472%0.72SS**  trans177.2139.4138.4143.80000110.5
390E36.7Very low39.8Very low180 Ų180140.5 Ų140.584%0.84172%0.722SS**  trans-77.4154.9171.7-55.7153.8101.800112
391E38.6Very low39.5Very low202 Ų202138.2 Ų138.294%0.94472%0.716SS**  -171.4159.8125.6-109.4-177.9-16700113.1
392E35.6Very low39.6Very low166 Ų166137.7 Ų137.778%0.77671%0.713SS**  trans-82.5159.6-167-75.2179.6134.100116.5
393P42Very low39.5Very low121 Ų121138.5 Ų138.579%0.78672%0.717SS**  trans-73.2157.2-179.431.9-38.3000114.5
394K39.7Very low39.5Very low178 Ų178137.9 Ų137.977%0.77472%0.718SS**  trans-149.799.1166.8-67.2-169.1169.445.60114.2
395E36.7Very low39.6Very low152 Ų152138.4 Ų138.471%0.7172%0.722SS**  33.2145.4127.7-107.1-154.7149.800123.5
396T35Very low39.7Very low109 Ų109139.2 Ų139.267%0.66973%0.728SS**  trans80.6159.8143.770.70000121.1
397P45.4Very low39.6Very low96 Ų96140.6 Ų140.662%0.62374%0.735SS**  cis-147.1164.3-46.240.8-24.8000116.8
398T35.8Very low39.7Very low130 Ų130141.2 Ų141.280%0.79873%0.732SS**  trans62.1171.2146.556.80000121.3
399P45.5Very low40Very low110 Ų110140.1 Ų140.171%0.71473%0.726SS**  cis-139.2178.9-41.337.5-21.1000115.3
400A35.7Very low40.1Very low87 Ų87140.5 Ų140.572%0.71972%0.719SS**  trans76.8163.1152.600000117.4
401N38.9Very low40Very low128 Ų128138 Ų13868%0.68471%0.711SS**  cis-158.1162.912.8-150.216.3000114.8
402E44Very low39.9Very low135 Ų135135.9 Ų135.963%0.63170%0.701SS**  trans72.2127143.6-87.3172.2135.300125.3
403Q42.2Very low40.1Very low155 Ų155135.5 Ų135.572%0.72470%0.704SS**  trans87.4138.7133.2-72.6171.232.600121.2
404N42.8Very low39.8Very low112 Ų112139 Ų13960%0.59971%0.707SS**  cis-169.6169.5-18-155.87.8000112.8
405E45.8Very low39.7Very low144 Ų144137.4 Ų137.467%0.67370%0.703SS**  trans63.1145.1149.7-89146.9-163.800119.5
406E44.4Very low39.7Very low163 Ų163138 Ų13876%0.76270%0.703SS**  cis-153.9125.4-1-148161.5-161.900106.7
407Q38.4Very low39.8Very low164 Ų164138 Ų13877%0.76670%0.702SS**  55.7148.182.6-78.4-166.560.300115.6
408K39.8Very low39.5Very low134 Ų134139.9 Ų139.958%0.58371%0.707SS**  cis-178.6-175.9-8.5179.5-177.9153.9-104.30107.7
409E41.4Very low39.8Very low140 Ų140140.8 Ų140.865%0.65470%0.703SS**  trans82.5147.6155.8-54.9-168164.100119.2
410E38.6Very low39.5Very low144 Ų144140.1 Ų140.167%0.67370%0.697SS**  cis-155.3157.8-20.8-119.9-175.3-179.800114.2
411L34Very low39.8Very low129 Ų129143.1 Ų143.168%0.67569%0.694SS**  trans5.5149.6147.5-68.5169.6000124.1
412E36.1Very low40.1Very low157 Ų157143.7 Ų143.773%0.73470%0.696SS**  trans58.9125.9144.2-69.7-174.4138.500120.9
413N39.3Very low40Very low157 Ų157142.4 Ų142.484%0.8470%0.702SS**  -166.9168.496.1-106.9-77.7000114.8
414K36.4Very low40Very low195 Ų195138.3 Ų138.385%0.84870%0.702SS**  trans-102.5172.2178.8-73171.3175.5159.70112.2
415E37.3Very low40.2Very low145 Ų145141.9 Ų141.968%0.67871%0.712SS**  trans100100.7136.4-163.4162-153.100119.9
416K37.3Very low40.2Very low165 Ų165140.2 Ų140.272%0.71771%0.708SS**  trans59.7166.1141.1-58.8169.1-165157.60117.2
417T37.1Very low40.2Very low107 Ų107139.4 Ų139.466%0.65670%0.704SS**  cis-163.9162.228.5-23.60000111.5
418D38Very low40.5Very low136 Ų136137 Ų13773%0.72769%0.693SS**  trans62.8108.4144-69.3-7.2000124
419E41.9Very low40.5Very low149 Ų149138.4 Ų138.470%0.69670%0.699SS**  84.8120.8112.7-77.1-140.5139.100124.1
420T40.5Very low40.6Very low96 Ų96135.8 Ų135.859%0.58970%0.697SS**  83.3153.3129.168.80000120.1
421K42Very low40.5Very low151 Ų151136 Ų13666%0.65770%0.697SS**  cis-159.6170.64.6-130.1162.1-151.5104.50113.2
422D44.5Very low40.8Very low139 Ų139137 Ų13774%0.74370%0.699SS**  trans70147.2154.4-79-45.9000120.8
423S41.5Very low40.9Very low108 Ų108136.8 Ų136.876%0.75570%0.695SS**  cis-177.4156.6-44.346.10000111
424G43.6Very low40.8Very low70 Ų70135.2 Ų135.272%0.72268%0.683SS**  trans153.186.5151.500000121.7
425K45.7Very low40.8Very low186 Ų186133.4 Ų133.481%0.80968%0.678SS**  72.2134.5118.6-146.6165.2-176.3173.50119.7
426D47Very low40.7Very low110 Ų110132.3 Ų132.359%0.58868%0.68SS**  cis-159.4159.31.3-118.9-0.1000112.3
427E44.6Very low40.8Very low146 Ų146131.9 Ų131.968%0.68269%0.686SS**  trans40.3147.3136.4-59.5-157.7136.700123.7
428Q43Very low40.7Very low114 Ų114135.2 Ų135.253%0.53369%0.694SS.*  cis-168.3144.7-2.9-118.2-169.65000111.9
429K40.5Very low40.7Very low162 Ų162138.1 Ų138.170%0.70470%0.703SS**  trans58159.9139.1-74.5-171.5-167.3139.40121.2
430S43.1Very low40.1Very low86 Ų86134.5 Ų134.560%0.60171%0.706SS**  cis-165169.7-7.8-103.70000107.2
431Q37.3Very low40.3Very low148 Ų148135.9 Ų135.969%0.69272%0.716SS**  cis163.6159.8-20.9-168.2-174.4-19.100106.3
432E39.7Very low39.8Very low151 Ų151136.8 Ų136.871%0.70672%0.723SS**  trans76.4119.5168.8-60.1-158.2101.300114.9
433K38.9Very low39.3Very low151 Ų151136.5 Ų136.566%0.65772%0.717SS**  103153.251.2-91.9-174167-1120109.7
434E37.2Very low39.1Very low124 Ų124138.4 Ų138.458%0.57971%0.714SS**  cis-171154.8-5.2168.5162.3-106.800109.8
435E37.3Very low39Very low158 Ų158142.6 Ų142.674%0.73872%0.715SS**  trans23.8122.5160.6-67.5174.4133.400122.4
436V34.5Very low38.5Very low121 Ų121139.6 Ų139.673%0.73371%0.713SS**  40.4123.4114.4-178.50000118.5
437N39.6Very low38.1Very low157 Ų157138.4 Ų138.484%0.8471%0.713SS**  -164.5151.6123.1-104.5-72.3000111.9
438E34Very low37.8Very low177 Ų177139.1 Ų139.183%0.82772%0.716SS**  trans-80.8149.2170.1-53.5168.5109.900110.4
439E37.5Very low37.5Very low197 Ų197137.2 Ų137.292%0.92171%0.712SS**  trans173.1132134.7-101.5-169.8152.400112.9
440G30.5Very low37.7Very low73 Ų73134.2 Ų134.275%0.75371%0.71SS**  trans77.6114.1130.600000120.5
441P44.2Very low37.4Very low124 Ų124133.6 Ų133.681%0.80571%0.71SS**  trans-92.1157.4170.237.2-34.1000112.9
442Q32.2Very low37.5Very low170 Ų170132 Ų13279%0.79471%0.71SS**  trans-172.8127.9149-111.1-179.4-45.200114
443Q33.8Very low37.4Very low134 Ų134131.5 Ų131.563%0.62671%0.707SS**  trans60.2151.9139.2-76.5169.1-98.300119.5
444E37.8Very low37.5Very low148 Ų148131.3 Ų131.369%0.69271%0.706SS**  cis-162.5156.618.3-133.1161.8-160.500114.1
445E40.9Very low37.6Very low157 Ų157131.5 Ų131.573%0.73471%0.707SS**  trans68.7110.3152.8-51.2-148.4119.800125.6
446T35.5Very low37.7Very low124 Ų124131.6 Ų131.676%0.76171%0.708SS**  69.8153.1125.1620000123.1
447S38.3Very low37.8Very low84 Ų84132.8 Ų132.859%0.58771%0.71SS**  cis-170.3171.9-1251.60000112.3
448E38Very low37.6Very low161 Ų161128.6 Ų128.675%0.75270%0.704SS**  trans58.8120.2156.7-67.2151.296.300120.2
449T35.9Very low37.8Very low75 Ų75127 Ų12746%0.4670%0.696SS.*  cis68.4141.43.382.10000118.1E1034 N1035T449-E1034 WeakPolarHBondContact CA-OE1 3.42Å; T449-E1034 WeakPolarHBondContact CB-OE1 3.46Å; T449-E1034 HydrophobicContact CG2-CG 4.11Å; T449-E1034 WeakPolarHBondContact CG2-OE1 2.99Å; T449-N1035 PolarHBondContact OG1-ND2 2.73Å
450P45.7Very low37.8Very low99 Ų99125.8 Ų125.864%0.64369%0.688SS**  cis-142.4-1807.643.3-23.3000120.6E1034P450-E1034 VanDerWaalsContact CA-OE1 3.27Å; P450-E1034 WeakPolarHBondContact CA-OE1 3.37Å; P450-E1034 WeakPolarHBondContact CA-OE2 3.3Å; P450-E1034 HydrophobicContact CB-CB 3.86Å; P450-E1034 HydrophobicContact CB-CG 3.82Å; P450-E1034 WeakPolarHBondContact CB-OE2 3.18Å
451A37.6Very low38.3Very low73 Ų73130.7 Ų130.760%0.60369%0.692SS**  trans112.3104.9131.500000123.6E1034A451-E1034 PolarHBondContact N-OE2 3.15Å
452V38.4Very low38.3Very low114 Ų114129.8 Ų129.869%0.69169%0.686SS**  73.7118111.3166.80000123.7
453E38.4Very low38.7Very low140 Ų140126.1 Ų126.165%0.65468%0.684SS**  trans74.9140139.1-83.1-165.8160.300127.5
454K40.5Very low38.9Very low147 Ų147127.5 Ų127.564%0.63969%0.688SS**  trans69.9151.1136.6-77-171.6172.295.80121.2
455E39.9Very low38.9Very low128 Ų128127.5 Ų127.560%0.59869%0.688SS**  cis-172.5166-25.6-133.6-173.211500108.2
456Q37.8Very low38.9Very low161 Ų161129.6 Ų129.675%0.75270%0.698SS**  trans60.8160.4154.9-70.7173.223.500118.9
457D36.5Very low39Very low145 Ų145133 Ų13378%0.77571%0.705SS**  cis-158.8166.5-33.6-165.9-5.7000106.8
458G36.8Very low39.4Very low70 Ų70134.3 Ų134.372%0.72272%0.715SS**  trans-168.240.1-165.500000119.3
459E38.7Very low39.4Very low142 Ų142133.7 Ų133.766%0.66471%0.712SS**  trans-50.5149.3173.1-35.6161.1106.800114.5
460K36.3Very low39.7Very low173 Ų173136.9 Ų136.975%0.75272%0.719SS**  178.6109.4116.8-98.7154-173.467.50116.3
461E40.5Very low39.4Very low176 Ų176139.4 Ų139.482%0.82272%0.72SS**  -1174.8113-95.3-147.7135.900120.9
462P45.4Very low39.5Very low105 Ų105142.8 Ų142.868%0.68272%0.724SS**  cis-137.4173.9-12.430.3-9.9000115.5
463A39.3Very low39.6Very low92 Ų92144.2 Ų144.276%0.7673%0.728SS**  trans170.6111.4140.200000109.9
464K39.4Very low39.5Very low164 Ų164144.1 Ų144.171%0.71373%0.732SS**  76.6115.278.2-92.6-169.7170.4-74.50116.5
465E37Very low39.6Very low147 Ų147145.2 Ų145.269%0.68775%0.745SS**  48.2121129.8-63.2159.1-177.500120.6
466E41.6Very low39.9Very low201 Ų201148.1 Ų148.194%0.93976%0.758SS**  -170.6149.6108.9-103.3176.5168.100111.4
467E37.9Very low40.1Very low195 Ų195148 Ų14891%0.91176%0.763SS**  trans-97.8145.2178.5-62.5166.593.700112.5
468S44.9Very low40.6Very low113 Ų113144.9 Ų144.979%0.7976%0.757SS**  trans174.7111.9152.954.90000107
469E39.4Very low41Very low147 Ų147147.9 Ų147.969%0.68776%0.761SS**  64.8119.452-141.8-142.3172.500114.5
470K41.3Very low41.3Very low143 Ų143147.5 Ų147.562%0.62277%0.769SS**  trans64.5142.7166-73.6166.7172.9140.40117.6
471F39.9Very low42.2Very low151 Ų151144.8 Ų144.866%0.66277%0.769SS**  cis-162.1164.45-114.7-39.4000110
472E38.6Very low42.6Very low144 Ų144145 Ų14567%0.67377%0.77SS**  trans45125.9146.1-55.4163.3162.500119.1
473N41.3Very low43Very low145 Ų145145.9 Ų145.978%0.77578%0.775SS**  -160.1162.754.2-82.1-96.7000112.7
474N36.9Very low43.1Very low138 Ų138150.2 Ų150.274%0.73878%0.78SS**  trans-44.3150.7175.7-44.6-3000116.4
475D42.7Very low43.6Very low170 Ų170151 Ų15191%0.90979%0.786SS**  -152145.1112.9-97.1-28.5000108.2
476E44.6Very low44.2Very low188 Ų188150.4 Ų150.488%0.87979%0.793SS**  trans-90.4153.3-177.3-60.7162.8119.400112
477D42.4Very low44.5Very low159 Ų159147.8 Ų147.885%0.8579%0.791SS**  161144.8125.7-162.63.7000111.6
478A48.1Very low45.2Very low79 Ų79141 Ų14165%0.65377%0.773SS**  trans59.1140171.900000118.4
479T45.6Very low46.1Very low134 Ų134144 Ų14482%0.82278%0.775SS**  cis-158.2141.81.1-0.40000108.9
480T43.9Very low47.3Very low134 Ų134143.8 Ų143.882%0.82277%0.774SS**PPolyproline II helixtrans-77.3133.5172.2-48.40000110.8
481P55.4Low48.6Very low115 Ų115140.1 Ų140.175%0.74777%0.77SS**PPolyproline II helixtrans-78.9139.1169.632.1-32.8000111.2
482E48.5Very low50.7Low181 Ų181136.6 Ų136.685%0.84676%0.762SS**PPolyproline II helixtrans-66.9140.9168.3-66.4168.9124.300110.2Q484E482-Q484 PolarHBondContact O-N 3.41Å
483P54.5Low53Low123 Ų123136 Ų13680%0.79976%0.758SS**PPolyproline II helixtrans-67.6120167.229.2-32.1000108.9E485P483-E485 PolarHBondContact O-N 3.35Å
484Q41.3Very low55.3Low183 Ų183136.2 Ų136.286%0.85575%0.754SS**PPolyproline II helixtrans-71.5126.3177.2-62.2-167.9-94.100110.4E482 T486E482-Q484 PolarHBondContact O-N 3.41Å; Q484-T486 PolarHBondContact O-N 2.98Å
485E50.1Low57.8Low180 Ų180134.5 Ų134.584%0.84174%0.744SS**  trans-63.1107169.6-65.3-175.5136.400110.1P483 T487P483-E485 PolarHBondContact O-N 3.35Å; E485-T487 PolarHBondContact O-N 3.27Å
486T48.7Very low60Low136 Ų136132.2 Ų132.283%0.83473%0.731SS**  trans-72.697.6173.249.90000109.4Q484 G488Q484-T486 PolarHBondContact O-N 2.98Å; T486-G488 PolarHBondContact O-N 3.08Å
487T48.5Very low62.3Low145 Ų145128.5 Ų128.589%0.8972%0.717SS**  trans-71.475.7179.52.90000110.7E485E485-T487 PolarHBondContact O-N 3.27Å
488G52.5Low64.5Low53 Ų53127.5 Ų127.555%0.54670%0.702SS.*  trans-87.5114.4-177.900000113T486 E490T486-G488 PolarHBondContact O-N 3.08Å; G488-E490 PolarHBondContact O-N 3.3Å; G488-E490 VanDerWaalsContact O-N 3.07Å
489E63.6Low66.6Low176 Ų176129.3 Ų129.382%0.82270%0.695SS**THydrogen-bonded Turntrans-68.9-3.2-174.7-151.9-179.2126.900114.8
490E64.3Low68.9Low143 Ų143129.7 Ų129.767%0.66869%0.686SS**THydrogen-bonded Turntrans-87.4-22.6-175.7-60-159.6106.600114.5G488 P492 K493G488-E490 PolarHBondContact O-N 3.3Å; G488-E490 VanDerWaalsContact O-N 3.07Å; E490-P492 VanDerWaalsContact C-CD 3.42Å; E490-K493 WeakPolarHBondContact O-CB 3.46Å; E490-K493 PolarHBondContact O-N 3.07Å
491A69.1Low71.3Confident66 Ų66130.6 Ų130.655%0.54568%0.678SS.*Hα-helixtrans-46.1-44.1-178.800000116.1K493 E494 L495A491-K493 VanDerWaalsContact C-N 3.26Å; A491-K493 PolarHBondContact O-N 3.47Å; A491-E494 PolarHBondContact O-N 3Å; A491-L495 PolarHBondContact O-N 3.08Å; A491-L495 VanDerWaalsContact O-N 3.15Å
492P84.6Confident73.1Confident76 Ų76129.3 Ų129.349%0.49466%0.662SS.*Hα-helixtrans-65.2-25.2179.924.5-35000113.9E490 L496E490-P492 VanDerWaalsContact C-CD 3.42Å; P492-L496 WeakPolarHBondContact O-CB 3.22Å; P492-L496 VanDerWaalsContact O-CG 3.28Å; P492-L496 WeakPolarHBondContact O-CG 3.31Å; P492-L496 PolarHBondContact O-N 3.09Å; P492-L496 VanDerWaalsContact O-N 3.07Å
493K87.2Confident75.1Confident132 Ų132126.9 Ų126.957%0.57465%0.652SS**Hα-helixtrans-73.6-42.4179.5-65.9173.1-174161.10111.5E490 A491 L496 L497E490-K493 WeakPolarHBondContact O-CB 3.46Å; E490-K493 PolarHBondContact O-N 3.07Å; A491-K493 VanDerWaalsContact C-N 3.26Å; A491-K493 PolarHBondContact O-N 3.47Å; K493-L496 PolarHBondContact O-N 3.4Å; K493-L497 WeakPolarHBondContact O-CG 3.38Å; K493-L497 PolarHBondContact O-N 3.3Å
494E88.7Confident77Confident149 Ų149127.3 Ų127.370%0.69664%0.642SS**Hα-helixtrans-67.7-40.9175.9-63.8-149.5127.900111.5A491 L496 L497 Y498A491-E494 PolarHBondContact O-N 3Å; E494-L496 VanDerWaalsContact C-N 3.33Å; E494-L496 PolarHBondContact O-N 3.3Å; E494-L497 PolarHBondContact O-N 3.39Å; E494-L497 VanDerWaalsContact O-N 3.17Å; E494-Y498 WeakPolarHBondContact O-CB 3.41Å; E494-Y498 PolarHBondContact O-N 3.01Å
495L88.7Confident79.6Confident103 Ų103122.4 Ų122.454%0.53963%0.627SS.*Hα-helixtrans-62.1-38.7176-171.963.9000112.4A491 Y498 K499A491-L495 PolarHBondContact O-N 3.08Å; A491-L495 VanDerWaalsContact O-N 3.15Å; L495-Y498 PolarHBondContact O-N 3.29Å; L495-K499 PolarHBondContact O-N 3.02Å
496L90.4Very high81.8Confident122 Ų122120.9 Ų120.964%0.63962%0.615SS**Hα-helixtrans-67.9-39.2173.1-77.4169.3000112.5P492 K493 E494 Y498 K500P492-L496 WeakPolarHBondContact O-CB 3.22Å; P492-L496 VanDerWaalsContact O-CG 3.28Å; P492-L496 WeakPolarHBondContact O-CG 3.31Å; P492-L496 PolarHBondContact O-N 3.09Å; P492-L496 VanDerWaalsContact O-N 3.07Å; K493-L496 PolarHBondContact O-N 3.4Å; E494-L496 VanDerWaalsContact C-N 3.33Å; E494-L496 PolarHBondContact O-N 3.3Å; L496-Y498 VanDerWaalsContact C-N 3.33Å; L496-K500 WeakPolarHBondContact O-CB 3.35Å; L496-K500 PolarHBondContact O-N 2.89Å
497L91.4Very high84Confident109 Ų109124 Ų12457%0.57161%0.612SS**Hα-helixtrans-66.3-35.8173.9-76.1169.7000112.2K493 E494 K501K493-L497 WeakPolarHBondContact O-CG 3.38Å; K493-L497 PolarHBondContact O-N 3.3Å; E494-L497 PolarHBondContact O-N 3.39Å; E494-L497 VanDerWaalsContact O-N 3.17Å; L497-K501 WeakPolarHBondContact O-CG 3.46Å; L497-K501 PolarHBondContact O-N 2.87Å; L497-K501 VanDerWaalsContact O-N 3.07Å
498Y90.2Very high86.3Confident139 Ų139124.3 Ų124.355%0.54560%0.597SS.*Hα-helixtrans-66-56175.4-174.3-97.3000111E494 L495 L496 K500 K501 E502E494-Y498 WeakPolarHBondContact O-CB 3.41Å; E494-Y498 PolarHBondContact O-N 3.01Å; L495-Y498 PolarHBondContact O-N 3.29Å; L496-Y498 VanDerWaalsContact C-N 3.33Å; Y498-K500 PolarHBondContact O-N 3.35Å; Y498-K500 VanDerWaalsContact O-N 3.17Å; Y498-K501 WeakPolarHBondContact O-CA 3.43Å; Y498-K501 WeakPolarHBondContact O-CB 3.31Å; Y498-K501 PolarHBondContact O-N 3.41Å; Y498-E502 HydrophobicContact CD1-CG 4.23Å; Y498-E502 WeakPolarHBondContact CD1-OE2 3.5Å; Y498-E502 HydrophobicContact CE1-CG 3.89Å; Y498-E502 WeakPolarHBondContact CE1-OE1 3.41Å; Y498-E502 VanDerWaalsContact CE1-OE2 3.31Å; Y498-E502 WeakPolarHBondContact CE1-OE2 3.44Å; Y498-E502 PolarHBondContact O-N 2.92Å; Y498-E502 PolarHBondContact OH-OE1 3Å
499K92.1Very high88.3Confident116 Ų116129.1 Ų129.150%0.50460%0.599SS.*Hα-helixtrans-55.3-36.6174.2-74.5-170.4173.6-1700112.6L495 K501 E502 M503L495-K499 PolarHBondContact O-N 3.02Å; K499-K501 VanDerWaalsContact C-N 3.33Å; K499-K501 PolarHBondContact O-N 2.87Å; K499-E502 PolarHBondContact O-N 2.91Å; K499-M503 WeakPolarHBondContact O-CB 3.5Å; K499-M503 WeakPolarHBondContact O-CG 3.48Å; K499-M503 PolarHBondContact O-N 3.16Å
500K93.7Very high89.9Confident143 Ų143127.4 Ų127.462%0.62259%0.589SS**Hα-helixtrans-72.4-20.3176.5-168.9167.5-174.6169.90113.9L496 Y498 K504L496-K500 WeakPolarHBondContact O-CB 3.35Å; L496-K500 PolarHBondContact O-N 2.89Å; Y498-K500 PolarHBondContact O-N 3.35Å; Y498-K500 VanDerWaalsContact O-N 3.17Å; K500-K504 WeakPolarHBondContact O-CG 3.4Å
501K93.8Very high91.5Very high152 Ų152123.4 Ų123.466%0.66158%0.58SS**Hα-helixtrans-79.8-45.6167-74.1172.3179177.70110.8L497 Y498 K499 K504 S505L497-K501 WeakPolarHBondContact O-CG 3.46Å; L497-K501 PolarHBondContact O-N 2.87Å; L497-K501 VanDerWaalsContact O-N 3.07Å; Y498-K501 WeakPolarHBondContact O-CA 3.43Å; Y498-K501 WeakPolarHBondContact O-CB 3.31Å; Y498-K501 PolarHBondContact O-N 3.41Å; K499-K501 VanDerWaalsContact C-N 3.33Å; K499-K501 PolarHBondContact O-N 2.87Å; K501-K504 WeakPolarHBondContact O-CB 3.5Å; K501-K504 PolarHBondContact O-N 3.17Å; K501-K504 VanDerWaalsContact O-N 3.14Å; K501-S505 PolarHBondContact O-N 3.11Å
502E94.1Very high92.8Very high88 Ų88125.2 Ų125.241%0.41158%0.576SS.*Hα-helixtrans-59.1-49.2177.8-67.5-177.9122.900112.2Y498 K499 K504 S505 Y506Y498-E502 HydrophobicContact CD1-CG 4.23Å; Y498-E502 WeakPolarHBondContact CD1-OE2 3.5Å; Y498-E502 HydrophobicContact CE1-CG 3.89Å; Y498-E502 WeakPolarHBondContact CE1-OE1 3.41Å; Y498-E502 VanDerWaalsContact CE1-OE2 3.31Å; Y498-E502 WeakPolarHBondContact CE1-OE2 3.44Å; Y498-E502 PolarHBondContact O-N 2.92Å; Y498-E502 PolarHBondContact OH-OE1 3Å; K499-E502 PolarHBondContact O-N 2.91Å; E502-K504 PolarHBondContact O-N 3.38Å; E502-K504 VanDerWaalsContact O-N 3.16Å; E502-S505 WeakPolarHBondContact O-CB 3.39Å; E502-S505 PolarHBondContact O-N 2.96Å; E502-Y506 PolarHBondContact O-N 3.32Å
503M90.2Very high93.4Very high130 Ų130128 Ų12864%0.6458%0.578SS**Hα-helixtrans-59.3-28.5176.3-75.3-174.4173.300113.4K499 R507K499-M503 WeakPolarHBondContact O-CB 3.5Å; K499-M503 WeakPolarHBondContact O-CG 3.48Å; K499-M503 PolarHBondContact O-N 3.16Å; M503-R507 WeakPolarHBondContact O-CG 3.45Å; M503-R507 PolarHBondContact O-N 3.49Å
504K95Very high93.9Very high132 Ų132127 Ų12757%0.57458%0.578SS**Hα-helixtrans-74.7-45.5172.1-76.9-177.1173.6-166.30111.4K500 K501 E502 Y506 R507 Y508K500-K504 WeakPolarHBondContact O-CG 3.4Å; K501-K504 WeakPolarHBondContact O-CB 3.5Å; K501-K504 PolarHBondContact O-N 3.17Å; K501-K504 VanDerWaalsContact O-N 3.14Å; E502-K504 PolarHBondContact O-N 3.38Å; E502-K504 VanDerWaalsContact O-N 3.16Å; K504-Y506 VanDerWaalsContact C-N 3.35Å; K504-Y506 PolarHBondContact O-N 3.43Å; K504-R507 PolarHBondContact O-N 3.17Å; K504-Y508 VanDerWaalsContact O-CD2 3.26Å; K504-Y508 WeakPolarHBondContact O-CD2 3.4Å; K504-Y508 PolarHBondContact O-N 3.02Å; K504-Y508 VanDerWaalsContact O-N 3.07Å
505S95Very high94.3Very high80 Ų80123.2 Ų123.256%0.55956%0.56SS**Hα-helixtrans-56.9-47.9176.4-1690000111.3K501 E502 R507 Y508 W509K501-S505 PolarHBondContact O-N 3.11Å; E502-S505 WeakPolarHBondContact O-CB 3.39Å; E502-S505 PolarHBondContact O-N 2.96Å; S505-R507 PolarHBondContact O-N 2.89Å; S505-Y508 PolarHBondContact O-N 3.05Å; S505-Y508 VanDerWaalsContact O-N 3.15Å; S505-W509 PolarHBondContact O-N 3Å
506Y95.6Very high94.7Very high149 Ų149121.2 Ų121.258%0.58455%0.549SS*.Hα-helixtrans-60.9-40178.1-175.2-114.2000113E502 K504 W509 K510E502-Y506 PolarHBondContact O-N 3.32Å; K504-Y506 VanDerWaalsContact C-N 3.35Å; K504-Y506 PolarHBondContact O-N 3.43Å; Y506-W509 HydrophobicContact CE2-CE3 4.44Å; Y506-W509 PolarHBondContact O-N 2.86Å; Y506-K510 PolarHBondContact O-N 3.07Å
507R95.5Very high95Very high201 Ų201119.8 Ų119.876%0.75854%0.54SS*.Hα-helixtrans-64.5-40.2174.2-76179.7-177.1-152.30.1112.6M503 K504 S505 A511M503-R507 WeakPolarHBondContact O-CG 3.45Å; M503-R507 PolarHBondContact O-N 3.49Å; K504-R507 PolarHBondContact O-N 3.17Å; S505-R507 PolarHBondContact O-N 2.89Å; R507-A511 WeakPolarHBondContact O-CB 3.47Å; R507-A511 PolarHBondContact O-N 3.49Å; R507-A511 VanDerWaalsContact O-N 3.11Å
508Y95.9Very high95.3Very high151 Ų151119.6 Ų119.659%0.59254%0.539SS*.Hα-helixtrans-66-40.8173.3-79.7-65.8000112.1K504 S505 A511 F512K504-Y508 VanDerWaalsContact O-CD2 3.26Å; K504-Y508 WeakPolarHBondContact O-CD2 3.4Å; K504-Y508 PolarHBondContact O-N 3.02Å; K504-Y508 VanDerWaalsContact O-N 3.07Å; S505-Y508 PolarHBondContact O-N 3.05Å; S505-Y508 VanDerWaalsContact O-N 3.15Å; Y508-A511 PolarHBondContact O-N 3.1Å; Y508-F512 WeakPolarHBondContact O-CB 3.3Å; Y508-F512 PolarHBondContact O-N 3Å
509W96.3Very high95.5Very high155 Ų155116.3 Ų116.359%0.58753%0.53SS*.Hα-helixtrans-66-45.9178.8-171.181.2000112.4S505 Y506 A511 F512 Y513S505-W509 PolarHBondContact O-N 3Å; Y506-W509 HydrophobicContact CE2-CE3 4.44Å; Y506-W509 PolarHBondContact O-N 2.86Å; W509-A511 VanDerWaalsContact C-N 3.34Å; W509-A511 PolarHBondContact O-N 3.04Å; W509-F512 PolarHBondContact O-N 3.47Å; W509-Y513 PolarHBondContact O-N 3.32Å
510K97Very high95.6Very high139 Ų139115.8 Ų115.860%0.60453%0.53SS*.Hα-helixtrans-63-37.7175.2-174.5163.6-178165.90112.2Y506 L514Y506-K510 PolarHBondContact O-N 3.07Å; K510-L514 WeakPolarHBondContact O-CB 3.47Å; K510-L514 PolarHBondContact O-N 2.98Å; K510-L514 VanDerWaalsContact O-N 3.1Å
511A96.9Very high95.7Very high59 Ų59110.5 Ų110.549%0.48852%0.517SS..Hα-helixtrans-67.9-38.3174.600000112.8R507 Y508 W509 F515R507-A511 WeakPolarHBondContact O-CB 3.47Å; R507-A511 PolarHBondContact O-N 3.49Å; R507-A511 VanDerWaalsContact O-N 3.11Å; Y508-A511 PolarHBondContact O-N 3.1Å; W509-A511 VanDerWaalsContact C-N 3.34Å; W509-A511 PolarHBondContact O-N 3.04Å; A511-F515 PolarHBondContact O-N 3.14Å; A511-F515 VanDerWaalsContact O-N 3.12Å
512F96.9Very high95.6Very high104 Ų104105.9 Ų105.946%0.45651%0.507SS..Hα-helixtrans-65.8-44.4174.6178.8-98.6000111.7Y508 W509 L514 F515 I516Y508-F512 WeakPolarHBondContact O-CB 3.3Å; Y508-F512 PolarHBondContact O-N 3Å; W509-F512 PolarHBondContact O-N 3.47Å; F512-L514 PolarHBondContact O-N 3.38Å; F512-F515 WeakPolarHBondContact O-CB 3.48Å; F512-F515 PolarHBondContact O-N 3.35Å; F512-I516 HydrophobicContact CD1-CG1 4.36Å; F512-I516 HydrophobicContact CE1-CD1 4.46Å; F512-I516 HydrophobicContact CE1-CG1 3.95Å; F512-I516 HydrophobicContact CE2-CD1 4.39Å; F512-I516 HydrophobicContact CZ-CD1 4.04Å; F512-I516 HydrophobicContact CZ-CG1 4.03Å; F512-I516 WeakPolarHBondContact O-CG1 3.46Å; F512-I516 PolarHBondContact O-N 3.38Å
513Y97.5Very high95.3Very high134 Ų134107.7 Ų107.753%0.52552%0.519SS..Hα-helixtrans-59.5-46.9176.8-168.5-93.7000111.8W509 F515 I516 M517W509-Y513 PolarHBondContact O-N 3.32Å; Y513-F515 VanDerWaalsContact C-N 3.29Å; Y513-F515 PolarHBondContact O-N 3.12Å; Y513-I516 PolarHBondContact O-N 3.04Å; Y513-I516 VanDerWaalsContact O-N 3.14Å; Y513-M517 HydrophobicContact CD1-CG 4.02Å; Y513-M517 HydrophobicContact CE1-CG 3.77Å; Y513-M517 HydrophobicContact CE1-SD 4.08Å; Y513-M517 WeakPolarHBondContact O-CG 3.41Å; Y513-M517 PolarHBondContact O-N 3.03Å
514L97.1Very high95.3Very high112 Ų112107.7 Ų107.759%0.58652%0.522SS*.Hα-helixtrans-59.7-39.1176.2-167.972.2000112.2K510 F512 M517 I518K510-L514 WeakPolarHBondContact O-CB 3.47Å; K510-L514 PolarHBondContact O-N 2.98Å; K510-L514 VanDerWaalsContact O-N 3.1Å; F512-L514 PolarHBondContact O-N 3.38Å; L514-M517 PolarHBondContact O-N 3.2Å; L514-I518 HydrophobicContact CG-CD1 4.2Å; L514-I518 VanDerWaalsContact O-CG1 3.3Å; L514-I518 WeakPolarHBondContact O-CG1 3.46Å; L514-I518 PolarHBondContact O-N 2.83Å
515F97.1Very high94.4Very high70 Ų70109.3 Ų109.331%0.30753%0.531SS..Hα-helixtrans-64.8-38.4175.5177.4-105.8000112.6A511 F512 Y513 L519 L1343A511-F515 PolarHBondContact O-N 3.14Å; A511-F515 VanDerWaalsContact O-N 3.12Å; F512-F515 WeakPolarHBondContact O-CB 3.48Å; F512-F515 PolarHBondContact O-N 3.35Å; Y513-F515 VanDerWaalsContact C-N 3.29Å; Y513-F515 PolarHBondContact O-N 3.12Å; F515-L519 HydrophobicContact CD1-CD1 4.04Å; F515-L519 HydrophobicContact CE1-CD1 3.51Å; F515-L519 HydrophobicContact CE1-CG 4.34Å; F515-L519 HydrophobicContact CE2-CD1 4.44Å; F515-L519 HydrophobicContact CE2-CG 4.49Å; F515-L519 HydrophobicContact CZ-CD1 3.75Å; F515-L519 HydrophobicContact CZ-CG 4.25Å; F515-L519 WeakPolarHBondContact O-CG 3.42Å; F515-L519 PolarHBondContact O-N 3.34Å; F515-L1343 HydrophobicContact CE2-CD2 4.13Å; F515-L1343 HydrophobicContact CZ-CD2 4.37Å
516I97.4Very high93.2Very high61 Ų61113.8 Ų113.831%0.31354%0.54SS..Hα-helixtrans-66.5-43.5174-62.9-60.3000111.2F512 Y513 I518 L519 M520F512-I516 HydrophobicContact CD1-CG1 4.36Å; F512-I516 HydrophobicContact CE1-CD1 4.46Å; F512-I516 HydrophobicContact CE1-CG1 3.95Å; F512-I516 HydrophobicContact CE2-CD1 4.39Å; F512-I516 HydrophobicContact CZ-CD1 4.04Å; F512-I516 HydrophobicContact CZ-CG1 4.03Å; F512-I516 WeakPolarHBondContact O-CG1 3.46Å; F512-I516 PolarHBondContact O-N 3.38Å; Y513-I516 PolarHBondContact O-N 3.04Å; Y513-I516 VanDerWaalsContact O-N 3.14Å; I516-I518 PolarHBondContact O-N 3.04Å; I516-L519 PolarHBondContact O-N 3.48Å; I516-L519 VanDerWaalsContact O-N 3.13Å; I516-M520 HydrophobicContact CG2-CE 4.44Å; I516-M520 HydrophobicContact CG2-CG 4.46Å; I516-M520 HydrophobicContact CG2-SD 4.47Å; I516-M520 WeakPolarHBondContact O-CG 3.45Å; I516-M520 PolarHBondContact O-N 2.9Å
517M96.6Very high92Very high91 Ų91115.2 Ų115.245%0.44855%0.552SS.*Hα-helixtrans-58.2-45.7176.1-68.3-64.6-71.500112Y513 L514 L519 M520 G521Y513-M517 HydrophobicContact CD1-CG 4.02Å; Y513-M517 HydrophobicContact CE1-CG 3.77Å; Y513-M517 HydrophobicContact CE1-SD 4.08Å; Y513-M517 WeakPolarHBondContact O-CG 3.41Å; Y513-M517 PolarHBondContact O-N 3.03Å; L514-M517 PolarHBondContact O-N 3.2Å; M517-L519 VanDerWaalsContact C-N 3.31Å; M517-L519 PolarHBondContact O-N 3.12Å; M517-M520 PolarHBondContact O-N 3.37Å; M517-M520 HydrophobicContact SD-CE 3.85Å; M517-G521 PolarHBondContact O-N 3.21Å; M517-G521 VanDerWaalsContact O-N 3.07Å
518I96.7Very high90.6Very high106 Ų106114.5 Ų114.554%0.54455%0.554SS.*Hα-helixtrans-61.5-38.8175.8-68.3164.5000111.4L514 I516 A522L514-I518 HydrophobicContact CG-CD1 4.2Å; L514-I518 VanDerWaalsContact O-CG1 3.3Å; L514-I518 WeakPolarHBondContact O-CG1 3.46Å; L514-I518 PolarHBondContact O-N 2.83Å; I516-I518 PolarHBondContact O-N 3.04Å; I518-A522 WeakPolarHBondContact O-CB 3.29Å; I518-A522 PolarHBondContact O-N 3.1Å; I518-A522 VanDerWaalsContact O-N 3.08Å
519L96.2Very high89.2Confident69 Ų69113.4 Ų113.436%0.36157%0.566SS.*Hα-helixtrans-67.8-35.8175.9-75.6178000113F515 I516 M517 L523F515-L519 HydrophobicContact CD1-CD1 4.04Å; F515-L519 HydrophobicContact CE1-CD1 3.51Å; F515-L519 HydrophobicContact CE1-CG 4.34Å; F515-L519 HydrophobicContact CE2-CD1 4.44Å; F515-L519 HydrophobicContact CE2-CG 4.49Å; F515-L519 HydrophobicContact CZ-CD1 3.75Å; F515-L519 HydrophobicContact CZ-CG 4.25Å; F515-L519 WeakPolarHBondContact O-CG 3.42Å; F515-L519 PolarHBondContact O-N 3.34Å; I516-L519 PolarHBondContact O-N 3.48Å; I516-L519 VanDerWaalsContact O-N 3.13Å; M517-L519 VanDerWaalsContact C-N 3.31Å; M517-L519 PolarHBondContact O-N 3.12Å; L519-L523 VanDerWaalsContact O-CG 3.31Å; L519-L523 WeakPolarHBondContact O-CG 3.5Å; L519-L523 PolarHBondContact O-N 3.29Å
520M94.1Very high87.3Confident105 Ų105115 Ų11552%0.51758%0.58SS.*Hα-helixtrans-70.3-47.6177.9-66-164.6-56.800111.6I516 M517 A522 L523 D524I516-M520 HydrophobicContact CG2-CE 4.44Å; I516-M520 HydrophobicContact CG2-CG 4.46Å; I516-M520 HydrophobicContact CG2-SD 4.47Å; I516-M520 WeakPolarHBondContact O-CG 3.45Å; I516-M520 PolarHBondContact O-N 2.9Å; M517-M520 PolarHBondContact O-N 3.37Å; M517-M520 HydrophobicContact SD-CE 3.85Å; M520-A522 VanDerWaalsContact C-N 3.28Å; M520-A522 PolarHBondContact O-N 3.2Å; M520-L523 WeakPolarHBondContact O-CB 3.4Å; M520-L523 PolarHBondContact O-N 3.31Å; M520-D524 PolarHBondContact O-N 3.1Å
521G95.2Very high85.1Confident33 Ų33116 Ų11634%0.3459%0.592SS.*Hα-helixtrans-60.3-35.9174.400000113.2M517 L523 D524 H525M517-G521 PolarHBondContact O-N 3.21Å; M517-G521 VanDerWaalsContact O-N 3.07Å; G521-L523 PolarHBondContact O-N 3.18Å; G521-D524 PolarHBondContact O-N 2.81Å; G521-H525 PolarHBondContact O-CD2 2.93Å; G521-H525 VanDerWaalsContact O-CD2 3.24Å; G521-H525 PolarHBondContact O-N 3.22Å
522A92.2Very high83.3Confident54 Ų54116.6 Ų116.645%0.44660%0.604SS.*Hα-helixtrans-72.6-10.8175.400000114.9I518 M520I518-A522 WeakPolarHBondContact O-CB 3.29Å; I518-A522 PolarHBondContact O-N 3.1Å; I518-A522 VanDerWaalsContact O-N 3.08Å; M520-A522 VanDerWaalsContact C-N 3.28Å; M520-A522 PolarHBondContact O-N 3.2Å
523L88.1Confident81.1Confident126 Ų126120.4 Ų120.466%0.6662%0.623SS**Hα-helixtrans-92.4-43.5170.8-73.5167.1000111.2L519 M520 G521 H525 K526L519-L523 VanDerWaalsContact O-CG 3.31Å; L519-L523 WeakPolarHBondContact O-CG 3.5Å; L519-L523 PolarHBondContact O-N 3.29Å; M520-L523 WeakPolarHBondContact O-CB 3.4Å; M520-L523 PolarHBondContact O-N 3.31Å; G521-L523 PolarHBondContact O-N 3.18Å; L523-H525 VanDerWaalsContact C-N 3.33Å; L523-H525 PolarHBondContact O-N 3.37Å; L523-K526 WeakPolarHBondContact O-CB 3.42Å; L523-K526 PolarHBondContact O-N 3.18Å
524D90.1Very high78.5Confident131 Ų131121 Ų12170%0.70163%0.63SS**Hα-helixtrans-57.2-43.1-177-160.147.9000112.2M520 G521 K526 E527M520-D524 PolarHBondContact O-N 3.1Å; G521-D524 PolarHBondContact O-N 2.81Å; D524-K526 PolarHBondContact O-N 3.15Å; D524-E527 PolarHBondContact O-N 3.19Å
525H76.2Confident76Confident165 Ų165121.8 Ų121.876%0.76464%0.643SS**THydrogen-bonded Turntrans-64.56.1175.7-63.8-38.5000116.1G521 L523G521-H525 PolarHBondContact O-CD2 2.93Å; G521-H525 VanDerWaalsContact O-CD2 3.24Å; G521-H525 PolarHBondContact O-N 3.22Å; L523-H525 VanDerWaalsContact C-N 3.33Å; L523-H525 PolarHBondContact O-N 3.37Å
526K69.2Low73.5Confident174 Ų174125.7 Ų125.776%0.75766%0.659SS**THydrogen-bonded Turntrans-114-12-179.5-72.2-172.1173.3-179.90115.8L523 D524 K528L523-K526 WeakPolarHBondContact O-CB 3.42Å; L523-K526 PolarHBondContact O-N 3.18Å; D524-K526 PolarHBondContact O-N 3.15Å; K526-K528 VanDerWaalsContact C-N 3.34Å; K526-K528 PolarHBondContact O-N 3.19Å
527E69.5Low71.2Confident179 Ų179130.4 Ų130.484%0.83668%0.68SS**  trans-92.863.3-177.6-162.5148.7-142.100111.9D524D524-E527 PolarHBondContact O-N 3.19Å
528K66.7Low68.7Low186 Ų186132.2 Ų132.281%0.80969%0.692SS**  trans-78.2127.9162-79.4-165.3174.3-170.60109.2K526 E530K526-K528 VanDerWaalsContact C-N 3.34Å; K526-K528 PolarHBondContact O-N 3.19Å; K528-E530 PolarHBondContact O-N 2.79Å
529P66.1Low66.3Low128 Ų128136.3 Ų136.383%0.83171%0.709SS**  trans-76.795.2-179.929.7-34.3000111.9D531P529-D531 PolarHBondContact O-N 2.88Å
530E56.7Low63.9Low190 Ų190138.4 Ų138.489%0.88873%0.729SS**  trans-78.889.7159.8-71-173.613500109.9K528K528-E530 PolarHBondContact O-N 2.79Å
531D51.6Low61.2Low159 Ų159136.8 Ų136.885%0.8574%0.739SS**  179.3149.2122.4-116.8-35.9000113.1P529P529-D531 PolarHBondContact O-N 2.88Å
532G59.1Low58.8Low72 Ų72141.5 Ų141.574%0.74276%0.762SS**  trans178.788.1179.900000112.5
533E48.9Very low56.5Low184 Ų184146 Ų14686%0.8677%0.774SS**  trans-70.1146-167.5-61.6179.5108.500115.7
534E43.1Very low54.4Low145 Ų145146.9 Ų146.968%0.67877%0.772SS**  trans17.6138159.2-68.6-163.117700121.3K536E534-K536 IonicContact OE1-NZ 2.56Å; E534-K536 IonicContact OE2-NZ 2.72Å; E534-K536 PolarHBondContact OE2-NZ 3.43Å
535P46.1Very low52.3Low130 Ų130149.2 Ų149.284%0.84478%0.776SS**  -134.5166.798.738.6-30.7000115.8
536K44.1Very low50.7Low151 Ų151149.9 Ų149.966%0.65778%0.779SS**  trans-91.6148178.3-54.2163.2177.265.50110.5E534E534-K536 IonicContact OE1-NZ 2.56Å; E534-K536 IonicContact OE2-NZ 2.72Å; E534-K536 PolarHBondContact OE2-NZ 3.43Å
537E48.3Very low49.2Very low160 Ų160149.5 Ų149.575%0.74879%0.786SS**  167.1141.9109.5-92.6-170-146.100114.4
538N45.5Very low47.7Very low130 Ų130144.5 Ų144.570%0.69578%0.782SS**  trans43121.4150.1-41.1-32.1000121.5
539E46.1Very low46.4Very low192 Ų192144.7 Ų144.790%0.89779%0.785SS**  -167.1178.594.8-105-172.8-177.300113.9
540S44.5Very low45Very low113 Ų113144.5 Ų144.579%0.7978%0.782SS**  trans-91.4164.8-171.353.40000114.5
541G39Very low44.2Very low71 Ų71142 Ų14273%0.73278%0.775SS**  cis125.194.7-1.400000115.1
542T44.3Very low43.7Very low132 Ų132138.6 Ų138.681%0.8176%0.764SS**  trans-145121.8165.4460000108.4
543E43.8Very low42.8Very low149 Ų149144.3 Ų144.370%0.69677%0.771SS**  59.8126.575.1-67.9-141.2174.800114
544K42.9Very low42.4Very low144 Ų144142.8 Ų142.863%0.62676%0.764SS**  cis-171.1161.7-0.2-131.1178.3-152.8143.10111.5
545K46.9Very low42.5Very low180 Ų180144.1 Ų144.178%0.78377%0.767SS**  trans75.5157.5166.2-59.9164.2-175.3175.60114.8
546E42.4Very low42.4Very low178 Ų178143.5 Ų143.583%0.83276%0.763SS**  cis-135.8130.818.8-160.9151.1-120.500114
547D38.3Very low42.2Very low167 Ų167142.6 Ų142.689%0.89377%0.77SS**  trans-100.1144170.8-86.8-61.8000110
548G38Very low41.8Very low73 Ų73143.5 Ų143.575%0.75377%0.774SS**  trans111.9158.8165.500000115.2
549E39.1Very low41.6Very low190 Ų190141.8 Ų141.889%0.88878%0.778SS**  cis-149.8158.2-4.6-155.7176.1157.700110.5
550T35.9Very low41.4Very low125 Ų125140.5 Ų140.577%0.76777%0.772SS**  trans-74.7146.3176.751.10000112.7
551D40.1Very low41.4Very low138 Ų138144.4 Ų144.474%0.73877%0.771SS**  143.6150.1111-162.726.2000114.7
552S41.5Very low41.5Very low87 Ų87145.1 Ų145.161%0.60877%0.77SS**  trans-10.6140.3160.2-54.10000119.2
553Q39.1Very low41.5Very low192 Ų192144.2 Ų144.290%0.89777%0.769SS**  -167163.389.9-102.2-174.22500116.9
554E41.3Very low41.6Very low151 Ų151141.3 Ų141.371%0.70677%0.765SS**  trans-64.8136.3-173.5-84.9-169.897.400116.9
555K46.1Very low41.6Very low174 Ų174140 Ų14076%0.75777%0.765SS**  trans74.1149.3135.2-75.8176.6179.7144.60120.9
556P42.6Very low41.5Very low116 Ų116137.8 Ų137.875%0.75376%0.757SS**  trans-95.7169.4-176.139.8-37.6000113.5
557V40.4Very low41.7Very low132 Ų132132.2 Ų132.280%0.873%0.734SS**  trans-157.2149133130.70000110.9
558E39.4Very low41.8Very low179 Ų179127.5 Ų127.584%0.83671%0.705SS**  trans-34.2140.1176.3-51.3162131.900117.2
559A40.8Very low42.2Very low94 Ų94129.4 Ų129.478%0.77769%0.694SS**  172.3106.2109.300000115.9
560E42.5Very low42.3Very low165 Ų165128 Ų12877%0.77169%0.688SS**  59141127-103-175.2174.900125
561Y45.9Very low42.6Very low195 Ų195130.8 Ų130.877%0.76569%0.692SS**  trans75.975.7155.3-72.9-68.3000123.2
562A41.1Very low43.5Very low87 Ų87129.9 Ų129.972%0.71969%0.694SS**  63.5150.7103.300000124.9
563S44Very low44Very low112 Ų112131.1 Ų131.178%0.78370%0.699SS**  trans79.3136.6145.3-159.70000117.5
564S45.8Very low44.2Very low88 Ų88129.5 Ų129.562%0.61569%0.692SS**  cis-172.3152.5-2.4-110.90000113.4
565D42.5Very low44Very low117 Ų117130.4 Ų130.463%0.62670%0.696SS**  trans62.1123.5134.7-67.8-60.3000124.7
566E45.1Very low43.9Very low133 Ų133130.3 Ų130.362%0.62170%0.699SS**  87.5154.1121.5-73.3-154.7137.200123.7K373K373-E566 IonicContact NZ-OE1 2.84Å; K373-E566 PolarHBondContact NZ-OE1 3.02Å
567N45.7Very low44.3Very low62 Ų62129.8 Ų129.833%0.33270%0.695SS.*  cis178.8126.2-13.5178.22.9000113.5N372N372-N567 VanDerWaalsContact ND2-CA 3.33Å; N372-N567 WeakPolarHBondContact ND2-CA 3.34Å; N372-N567 PolarHBondContact ND2-OD1 3.05Å
568K41.6Very low44.4Very low68 Ų68130 Ų13030%0.29669%0.692SS.*  trans97.9117.5143.3-105.9177.2177.1-580123.6P371 N372 K373P371-K568 CarbonylContact O-C 3.58Å; P371-K568 WeakPolarHBondContact O-CA 3.48Å; P371-K568 PolarHBondContact O-N 3.49Å; N372-K568 WeakPolarHBondContact ND2-CA 3.46Å; N372-K568 PolarHBondContact ND2-N 3.15Å; N372-K568 WeakPolarHBondContact O-CG 3.41Å; K373-K568 VanDerWaalsContact O-CE 3.28Å; K373-K568 WeakPolarHBondContact O-CE 3.49Å; K373-K568 PolarHBondContact O-NZ 3.41Å
569E45.7Very low44.6Very low113 Ų113128.3 Ų128.353%0.52869%0.694SS.*  112.1137.2110.7-151.4130.4-124.400124.1P371P371-E569 PolarHBondContact O-N 3.1Å
570E41.5Very low44.7Very low161 Ų161132.1 Ų132.175%0.75270%0.695SS**  trans74.9103.5147-90168.8-17400126.4
571Q41.2Very low45.1Very low183 Ų183133.5 Ų133.586%0.85570%0.704SS**  41.8140.9129.8-70.3-172.3-22.600126.4
572P59.4Low44.9Very low119 Ų119132.8 Ų132.877%0.77371%0.708SS**  trans-102.7-175.5163.842.4-34.8000113.6
573P52.1Low45.3Very low112 Ų112138 Ų13873%0.72772%0.718SS**  -155.817512141.2-23.8000118.9
574E43.7Very low45.5Very low158 Ų158142 Ų14274%0.73872%0.721SS**  trans92.1125141.9-89.7178.4-130.300126.4
575Q36.7Very low46Very low170 Ų170142.9 Ų142.979%0.79472%0.724SS**  trans94.8148.2138.6-70.1-179.125.300124.6
576E44.8Very low46.3Very low173 Ų173147 Ų14781%0.80874%0.74SS**  trans-110.1-143.3-160.8-32.5171.4113.100112.8
577P50Low46.2Very low104 Ų104147.2 Ų147.268%0.67575%0.745SS**  cis-139.7170.8-1.243.1-23.4000119.6
578N42Very low46.2Very low138 Ų138151.7 Ų151.774%0.73876%0.764SS**  trans23.1140.9144.4-54.8-8.1000124.7
579T44.3Very low46.2Very low142 Ų142156 Ų15687%0.87179%0.785SS**  -171.1158126.16.40000114.7
580E43.2Very low46.1Very low174 Ų174156.2 Ų156.281%0.81379%0.794SS**  trans-90.2171.3-175.7-49.1133.296.500115.5
581M50.5Low46.4Very low194 Ų194156.4 Ų156.496%0.95680%0.796SS**  -168.8154.3126.6-109.7179.4-66.300113.6
582E41.5Very low46.7Very low181 Ų181153.6 Ų153.685%0.84679%0.786SS**  trans-130.9144.6-173.8178.5-167.1-163.500110.7
583E50.2Low45.9Very low197 Ų197154.2 Ų154.292%0.92179%0.788SS**  trans-160.1156.7158.2-128.3171.9-171.500112.9
584K48Very low45.8Very low195 Ų195158.3 Ų158.385%0.84880%0.797SS**  trans-127.8-172.9-168.3-117.4-161.5168.8169.30112.7
585P57.2Low45.6Very low107 Ų107157.2 Ų157.270%0.69580%0.797SS**  trans-117178.8-143.344.2-31.6000116.5
586E48.4Very low46.5Very low204 Ų204154.1 Ų154.195%0.95379%0.791SS**  trans-136.7179.7166.3-75.6-163.814400112.4
587N41.7Very low46.5Very low137 Ų137152.5 Ų152.573%0.73379%0.788SS**  trans-125.2178.8-147.8-168.227.8000115.4
588E45.6Very low46.3Very low156 Ų156154.1 Ų154.173%0.72979%0.791SS**  trans99149.9136-119.9156.7-108.500123.9
589E43.1Very low46.5Very low157 Ų157154 Ų15473%0.73479%0.79SS**  trans82.587.7155-64.7-150.6127.500126
590T43.4Very low46.8Very low118 Ų118155.7 Ų155.772%0.72479%0.789SS**  70.2142.8115.662.80000126.8
591E47.8Very low47.2Very low166 Ų166156.4 Ų156.478%0.77679%0.792SS**  105.7138.1127.7-124.4-172.5-14800123.8
592N47.5Very low47.1Very low124 Ų124153.3 Ų153.366%0.66378%0.783SS**  trans101.595.7149.4-68.1-57.7000124.3
593T41.8Very low47.3Very low132 Ų132150.5 Ų150.581%0.8178%0.783SS**  trans-16.2141.5136.611.50000121.3
594E49.6Very low47Very low197 Ų197151.3 Ų151.392%0.92178%0.779SS**  -167.8170.3112.8-129.2179.6162.400112.7
595N40.3Very low46.9Very low136 Ų136148.5 Ų148.573%0.72777%0.773SS**  trans-148.1148.5-173.9-177.43.3000110.3
596P55.7Low46.6Very low105 Ų105151 Ų15168%0.68278%0.775SS**  -160.8140.8122.337-16000120.8
597N44.1Very low46.4Very low139 Ų139147.3 Ų147.374%0.74376%0.761SS**  67.5157.1129.6-65.21.4000126
598N47.4Very low46.4Very low137 Ų137148.6 Ų148.673%0.73376%0.762SS**  trans80.3141.3162.8-77.264.9000118
599D44.6Very low46.8Very low135 Ų135146.4 Ų146.472%0.72276%0.761SS**  cis-169.3176-21.3-119.2-18.8000109.9
600E52.5Low46.5Very low179 Ų179147.5 Ų147.584%0.83677%0.766SS**  trans73104.6177.3-53.5-172.3144.500115.4
601E51.3Low46.3Very low189 Ų189148.2 Ų148.288%0.88377%0.77SS**  57.1127.489.7-65.9-162.4140.200114.2
602V48Very low45.9Very low128 Ų128146.8 Ų146.878%0.77677%0.772SS**  -154.2140.658.2165.20000113.6
603C45.4Very low45.6Very low123 Ų123145.5 Ų145.583%0.83178%0.779SS**  trans51116.7161.1-65.90000122.6
604Y44.4Very low45.5Very low214 Ų214146 Ų14684%0.83978%0.783SS**  trans-98.4157.5157.9-100.7-110.7000110.9H606Y604-H606 HydrophobicContact CD1-CB 4.43Å
605D45.8Very low45.2Very low135 Ų135143.6 Ų143.672%0.72278%0.781SS**  trans-147.8103.6135.9-114.7-27.3000110.2
606H50.3Low45.2Very low160 Ų160145 Ų14574%0.74178%0.783SS**  trans-157.8120175.1-134.473.7000107.4Y604Y604-H606 HydrophobicContact CD1-CB 4.43Å
607I43.7Very low44.6Very low127 Ų127148.1 Ų148.165%0.65179%0.788SS**  trans-141.397.3-174.5-54.7-178.2000111.5
608H43Very low44.6Very low164 Ų164145.9 Ų145.976%0.75978%0.783SS**  trans-78.7141.3150.5-91.3-96.2000109.8
609P52.4Low44.2Very low109 Ų109147.6 Ų147.671%0.70879%0.787SS**  trans-116.683170.437.6-27.1000113.1
610H37Very low44.3Very low180 Ų180150.3 Ų150.383%0.83380%0.796SS**  trans-75.5129.3155.9-90-78.8000109.7
611V41Very low43.9Very low134 Ų134146.1 Ų146.181%0.81279%0.786SS**  trans-138.4109.4166.5-176.90000110.1
612T38.7Very low43.4Very low135 Ų135143.1 Ų143.183%0.82878%0.781SS**  trans-89.5145.916946.80000111
613A41.5Very low43.1Very low97 Ų97143.2 Ų143.280%0.80278%0.781SS**  trans-153.2104.8172.200000111.9
614T39.1Very low42.9Very low144 Ų144143.7 Ų143.788%0.88378%0.781SS**  trans-99.3132178.1430000112.2
615V43.9Very low42.8Very low145 Ų145138.1 Ų138.188%0.87978%0.779SS**  trans-142.7127.7167.4-178.70000110.5
616Q40.1Very low42.8Very low166 Ų166140.4 Ų140.478%0.77679%0.785SS**  trans-86.6153.8176.2-58.7168.6-20.500111.9
617Q43.4Very low42.7Very low170 Ų170137.9 Ų137.979%0.79478%0.783SS**  170138.6105.4-92.5-164.8-23.600117.7
618S42.2Very low42.6Very low92 Ų92140 Ų14064%0.64379%0.79SS**  trans67.6100.5137.969.70000123.7
619Q39.4Very low42.5Very low174 Ų174140.6 Ų140.681%0.81380%0.798SS**  47.1117.7113.3-62.4177.87.800121.9
620Q46.3Very low42.2Very low192 Ų192141.5 Ų141.590%0.89780%0.802SS**  168.8154.5121.6-94.5155.387.500111.2
621S44.1Very low42.5Very low91 Ų91138.5 Ų138.564%0.63680%0.798SS**  cis-179.8123.8-30.5177.90000109
622T41.5Very low43.3Very low126 Ų126138.5 Ų138.577%0.77380%0.801SS**  trans63.3150.615153.40000123.3
623V42.7Very low43.4Very low129 Ų129139.3 Ų139.378%0.78279%0.793SS**  trans113.479.3154.4-173.30000114.3
624T39.9Very low43.6Very low134 Ų134141.2 Ų141.282%0.82279%0.785SS**  84.8108.879.5-61.50000114.8
625A42.5Very low43.8Very low97 Ų97141.1 Ų141.180%0.80278%0.775SS**  175.4116.7129.400000113.2
626E47Very low43.8Very low182 Ų182142 Ų14285%0.8577%0.769SS**  trans-67.1173.2157.9-90.6174.2110.600112.4
627P46.3Very low43.9Very low107 Ų107142.3 Ų142.370%0.69577%0.771SS**  cis-141.5-178.926.643.5-24.3000118.7
628E41.9Very low43.7Very low172 Ų172139.6 Ų139.680%0.80476%0.758SS**  trans-14.3139.4159.2-51.9166.5113.700118.4
629L41.5Very low44.2Very low176 Ų176139.9 Ų139.992%0.92176%0.758SS**  trans-147.8141.8134.8-83.4-170.7000111
630T45.3Very low44.7Very low128 Ų128137.7 Ų137.779%0.78575%0.747SS**PPolyproline II helixtrans-78.8164.1178.640.40000113.1
631P43.8Very low44.7Very low117 Ų117136 Ų13676%0.7674%0.737SS**PPolyproline II helixtrans-70.5154.6-169.128.7-37.3000114.1
632P57.4Low45.1Very low134 Ų134139.2 Ų139.287%0.8774%0.74SS**PPolyproline II helixtrans-79.5133.317732.5-33.5000112.4
633K42.4Very low45.7Very low153 Ų153141 Ų14167%0.66574%0.739SS**  trans-123.4174159-167-169.6157.6-84.20105.4
634E44.3Very low46.6Very low137 Ų137140.9 Ų140.964%0.6473%0.734SS**  trans71.8155.9163.2-59.9159.1-170.700114.9
635E44.8Very low47.1Very low141 Ų141139.5 Ų139.566%0.65972%0.722SS**  cis-175.1138.9-24.1-105.3160.1-170.100105.6
636E43.6Very low47.5Very low164 Ų164143 Ų14377%0.76672%0.719SS**  trans40.7168.1135.8-120.4179.5151.700124.7E967E636-E967 PolarHBondContact N-OE2 3.39Å
637E42.8Very low47.6Very low172 Ų172140.8 Ų140.880%0.80471%0.709SS**  trans64.399.9167-65.7-151.599.500122.6
638Q38Very low47.6Very low114 Ų114144 Ų14453%0.53371%0.711SS.*  32.5166.9107.6-75.4-147.639.100123E963 D964Q638-E963 PolarHBondContact NE2-O 3.3Å; Q638-D964 PolarHBondContact NE2-O 3.48Å
639P53.1Low47.4Very low98 Ų98141.2 Ų141.264%0.63671%0.711SS**  cis-144.2-149.7-45.243.8-24.7000113.6
640E49.1Very low47.5Very low127 Ų127139.4 Ų139.459%0.59371%0.708SS**  trans108.792.2156.9-68.8-122.2153.500123.3
641K46.9Very low47.6Very low156 Ų156138.4 Ų138.468%0.67870%0.704SS**  55.2118.2117.2-60.8167.6-163.9159.30121.7
642K52Low47.7Very low160 Ų160138.9 Ų138.970%0.69671%0.706SS**  178.4136.996.9-96.4-177.4-177.573.40117
643E54.1Low46.8Very low164 Ų164138.3 Ų138.377%0.76670%0.701SS**  trans33.2141.4133.1-54.1174.3117.800120
644D61.3Low46.5Very low126 Ų126137.7 Ų137.767%0.67471%0.71SS**  cis-171.5156.333.8-162.94.2000114
645N52.1Low46.2Very low104 Ų104137.1 Ų137.156%0.55672%0.716SS**  trans59.7140.6156.1-84.4-57.5000121.2
646K50.2Low45.7Very low172 Ų172136 Ų13675%0.74872%0.724SS**  cis-169.3157.1-4.7-151.9-175.7-155.5740113.3
647E49.4Very low45.5Very low135 Ų135132.3 Ų132.363%0.63172%0.721SS**  trans98.895.8156.5-57.1-137.690.800121.1
648K44.8Very low45.2Very low173 Ų173132.9 Ų132.975%0.75272%0.724SS**  trans67.6104.8141.1-62.4157.7-180153.70117.9
649S38.4Very low45.1Very low115 Ų115133.6 Ų133.680%0.80474%0.736SS**  cis85.6100.325.8-163.90000117.1
650T44.5Very low44.4Very low137 Ų137134.1 Ų134.184%0.8474%0.737SS**  -160.6154.213024.10000108.4
651P46.6Very low44Very low108 Ų108134.3 Ų134.370%0.70175%0.746SS**  trans-107.1156.4-151.539.1-35.4000116.4
652P45.2Very low43.5Very low126 Ų126131.8 Ų131.882%0.81874%0.744SS**  trans-85.7147.1141.735.5-28.5000110.4
653T39.1Very low42.7Very low122 Ų122130.9 Ų130.975%0.74875%0.747SS**  trans-115.1119170.5-620000108.3
654T36.1Very low42Very low140 Ų140128 Ų12886%0.85974%0.741SS**  trans-75.3136.8163.628.80000109.8
655T38.9Very low40.7Very low125 Ų125130.2 Ų130.277%0.76775%0.747SS**  trans-123.7118.4157.6-54.70000105.8
656S34.5Very low39.9Very low118 Ų118132.5 Ų132.583%0.82576%0.757SS**  trans-64.9130.2167.239.80000109
657A37.9Very low39.4Very low86 Ų86129.8 Ų129.871%0.71175%0.751SS**  trans-123.9113.2163.300000106.2V659A657-V659 PolarHBondContact O-N 2.89Å
658E36.2Very low38.9Very low184 Ų184127.6 Ų127.686%0.8676%0.756SS**  trans-64.1114.5166.9-68.5157.1104.400107.7V660E658-V660 HydrophobicContact CB-CG2 4.44Å; E658-V660 PolarHBondContact O-N 3.42Å
659V36.9Very low38.7Very low130 Ų130125.2 Ų125.279%0.78875%0.747SS**  trans-89.688.2161.4-178.80000105.6A657 V661A657-V659 PolarHBondContact O-N 2.89Å; V659-V661 PolarHBondContact O-N 3.42Å
660V37.1Very low38.5Very low108 Ų108127.9 Ų127.966%0.65575%0.753SS**  trans-59.8118.6170.7177.50000107.4E658 V662E658-V660 HydrophobicContact CB-CG2 4.44Å; E658-V660 PolarHBondContact O-N 3.42Å; V660-V662 VanDerWaalsContact C-N 3.27Å; V660-V662 HydrophobicContact CG1-CG2 4Å; V660-V662 PolarHBondContact O-N 3.23Å
661V41Very low38.3Very low131 Ų131126.3 Ų126.379%0.79474%0.743SS**  trans-7488173.9-179.80000107.5V659 N663V659-V661 PolarHBondContact O-N 3.42Å; V661-N663 PolarHBondContact O-N 3.11Å
662V37Very low37.7Very low103 Ų103130.7 Ų130.762%0.62475%0.754SS**  trans-73.293.8173.2177.40000107.8V660 T664V660-V662 VanDerWaalsContact C-N 3.27Å; V660-V662 HydrophobicContact CG1-CG2 4Å; V660-V662 PolarHBondContact O-N 3.23Å; V662-T664 HydrophobicContact CG1-CG2 3.79Å; V662-T664 PolarHBondContact O-N 3.14Å
663N35.7Very low37.5Very low142 Ų142131.1 Ų131.176%0.75975%0.748SS**  trans-77.570.8174.4-167.922.4000110.1V661 Q665V661-N663 PolarHBondContact O-N 3.11Å; N663-Q665 PolarHBondContact O-N 3.35Å
664T38.1Very low37.2Very low104 Ų104129.4 Ų129.464%0.63875%0.754SS**  trans-69.494.1173.830.90000110.5V662 I666V662-T664 HydrophobicContact CG1-CG2 3.79Å; V662-T664 PolarHBondContact O-N 3.14Å; T664-I666 PolarHBondContact O-N 3.47Å
665Q34.7Very low37.4Very low172 Ų172129.1 Ų129.180%0.80475%0.753SS**  trans-56.3116.7148.9-77.3-176.4-17.400107.9N663 N667N663-Q665 PolarHBondContact O-N 3.35Å; Q665-N667 VanDerWaalsContact C-N 3.28Å; Q665-N667 PolarHBondContact O-N 3.03Å; Q665-N667 VanDerWaalsContact O-N 3.1Å
666I35.8Very low37.4Very low152 Ų152127.4 Ų127.478%0.77975%0.751SS**  trans-83.181.9169.7-57.8178.7000106.7T664 A668T664-I666 PolarHBondContact O-N 3.47Å; I666-A668 PolarHBondContact O-N 3.2Å
667N39.6Very low37.5Very low115 Ų115129.6 Ų129.662%0.61575%0.748SS**  trans-68110.9164.3-173.3-2.6000107.7Q665 Q669Q665-N667 VanDerWaalsContact C-N 3.28Å; Q665-N667 PolarHBondContact O-N 3.03Å; Q665-N667 VanDerWaalsContact O-N 3.1Å; N667-Q669 PolarHBondContact O-N 3.41Å
668A38.8Very low37.6Very low89 Ų89133.4 Ų133.474%0.73676%0.755SS**  trans-83.549.1-171.200000112.6I666I666-A668 PolarHBondContact O-N 3.2Å
669Q39.6Very low37.7Very low122 Ų122129.7 Ų129.757%0.5774%0.744SS**  trans-68.9132.7173.9-79.5-175.7-9.200111.2N667 T671N667-Q669 PolarHBondContact O-N 3.41Å; Q669-T671 PolarHBondContact O-N 3.13Å
670N36Very low38.4Very low171 Ų171129.3 Ų129.391%0.91474%0.744SS**  trans-68.1117.7172.5-89-56000110
671T39.6Very low38.3Very low104 Ų104129 Ų12964%0.63875%0.747SS**  trans-138.9111.1166.4-43.90000111.2Q669 I673Q669-T671 PolarHBondContact O-N 3.13Å; T671-I673 HydrophobicContact CG2-CD1 4.17Å; T671-I673 HydrophobicContact CG2-CG1 3.91Å; T671-I673 PolarHBondContact O-N 3.03Å
672Q34.3Very low38.4Very low201 Ų201129 Ų12994%0.93975%0.747SS**  trans-74.2109.6172.3-63.3-177.21600110
673I40.3Very low38.5Very low135 Ų135132.6 Ų132.669%0.69276%0.757SS**  trans-120.396.4170-54.3-175.3000109.5T671 V675T671-I673 HydrophobicContact CG2-CD1 4.17Å; T671-I673 HydrophobicContact CG2-CG1 3.91Å; T671-I673 PolarHBondContact O-N 3.03Å; I673-V675 HydrophobicContact CG2-CG2 4.14Å; I673-V675 PolarHBondContact O-N 2.9Å
674G34Very low38.4Very low85 Ų85129.7 Ų129.788%0.87676%0.761SS**  trans-73.3122.3174.100000111.9
675V39.5Very low38.4Very low135 Ų135129.4 Ų129.482%0.81877%0.769SS**  trans-119.4136.3176.5-176.40000110.7I673I673-V675 HydrophobicContact CG2-CG2 4.14Å; I673-V675 PolarHBondContact O-N 2.9Å
676A38.2Very low38.5Very low88 Ų88130.8 Ų130.873%0.72777%0.772SS**  trans-74.2136.9-158.500000116.8
677E36.6Very low38.6Very low165 Ų165131.8 Ų131.877%0.77177%0.774SS**  trans14.4114.8135.6-170.5-169.9-16600118.6V679E677-V679 HydrophobicContact CG-CG2 4.2Å
678I40.4Very low38.6Very low166 Ų166133.1 Ų133.185%0.85178%0.779SS**  trans-135.9106.7145.4-58.3-176.4000110.2
679V39.1Very low38.9Very low105 Ų105136.2 Ų136.264%0.63678%0.778SS**  trans-103.1128.4179.7175.70000112.6E677E677-V679 HydrophobicContact CG-CG2 4.2Å
680P51.5Low39.4Very low122 Ų122136.4 Ų136.479%0.79279%0.79SS**  trans-98.894.9166.234.2-29000112.4
681S34.6Very low40Very low101 Ų101133.8 Ų133.871%0.70678%0.78SS**  trans-87.6118.7-178179.10000114.2
682V43.3Very low40.4Very low131 Ų131134.6 Ų134.679%0.79479%0.788SS**  trans-143.683170.9-163.40000115.2
683Q39.7Very low40.8Very low179 Ų179128.4 Ų128.484%0.83677%0.771SS**  trans38.491.4131.5-55179.111.100121.8
684G32.6Very low40.8Very low82 Ų82131.4 Ų131.485%0.84578%0.779SS**  79157.8106.300000124.4
685A38.4Very low41.2Very low98 Ų98133.6 Ų133.681%0.8178%0.775SS**  trans95.281.2157.100000122.4
686K36.2Very low41.3Very low200 Ų200133.1 Ų133.187%0.8777%0.773SS**  trans25.3122.7132.6-57.2177.6179.9-178.50120.5
687H38.9Very low41.7Very low174 Ų174134.3 Ų134.381%0.80677%0.773SS**  -178.6143121.1-114.2-25.6000117.7
688I40Very low41.7Very low142 Ų142137.6 Ų137.673%0.72878%0.779SS**  trans82.4121.5141.1-69.6162.4000120.9
689E43.4Very low41.6Very low155 Ų155136.6 Ų136.672%0.72478%0.78SS**  trans-80.5-179163.7-48.2173.1118.500113.2
690P51.9Low41.4Very low126 Ų126142.6 Ų142.682%0.81879%0.791SS**  -140.1130.8124.535.6-22.6000116.6
691T47Very low40.6Very low115 Ų115142.7 Ų142.771%0.70679%0.794SS**  trans-77156165.4-4.70000112.8
692P48.7Very low41.2Very low122 Ų122143.6 Ų143.679%0.79280%0.797SS**  -153.1167.3112.736.8-19.5000116.5
693A42.5Very low41.2Very low71 Ų71143.5 Ų143.559%0.58780%0.799SS**  cis-178.4130.8-26.500000113.8
694K39.9Very low41.1Very low197 Ų197138.5 Ų138.586%0.85780%0.796SS**  trans68.4161.5145.6-57.3163.3-174.2165.80117.6
695T43.2Very low41.3Very low131 Ų131140.8 Ų140.880%0.80479%0.788SS**  cis-137.1142.317.5430000116.3
696T41.8Very low41.3Very low126 Ų126143.1 Ų143.177%0.77378%0.78SS**  trans-62.6-177161.627.20000115
697P45.1Very low41.5Very low113 Ų113141.5 Ų141.573%0.73478%0.775SS**  cis-144.415814.137.4-15.3000121.4
698R37.2Very low41.6Very low234 Ų234137.5 Ų137.588%0.88377%0.772SS**  trans6.1145.6138.9-62.5174.3167.1169.5-4.7121.3
699V37.5Very low41.8Very low145 Ų145137.4 Ų137.488%0.87978%0.778SS**  -173.3153.4103.6145.30000112.6
700R36Very low41.7Very low230 Ų230136.9 Ų136.987%0.86878%0.78SS**  trans-81.7146.4-178-61169.4171159.3-7.3113.8
701C34.9Very low41.4Very low125 Ų125137 Ų13785%0.84578%0.779SS**  169144.3116.4-89.70000113.1
702P46.7Very low41Very low119 Ų119135.4 Ų135.477%0.77379%0.785SS**  trans-104.9-170.1178.542.3-36.3000112.8
703P42.5Very low40.8Very low130 Ų130133 Ų13384%0.84478%0.782SS**  cis-111.6169.8-49.136.5-26000110.8
704G39Very low40.8Very low74 Ų74137.9 Ų137.976%0.76379%0.793SS**  trans-177.788.1179.400000118.6
705D37.3Very low40.9Very low129 Ų129134 Ų13469%0.6978%0.782SS**  39.6111.4129.7-131.629.8000121.4
706K37.2Very low40.7Very low148 Ų148133.7 Ų133.764%0.64378%0.783SS**  trans77.5138.8139-69.4173.9-179.774.90123.3
707H41.7Very low40.5Very low166 Ų166131.1 Ų131.177%0.76978%0.781SS**  trans8286.3148.5-60.3-43.4000122.6
708A39.9Very low40.2Very low89 Ų89133.3 Ų133.374%0.73679%0.787SS**  81163.1101.500000123.4
709V44.5Very low40.4Very low141 Ų141129.2 Ų129.286%0.85578%0.778SS**  trans88.484.5164.2-163.60000118
710N42.1Very low40.5Very low144 Ų144129.8 Ų129.877%0.7777%0.769SS**  trans-85.2173.4144-147.712000107.7
711V43.9Very low40.4Very low129 Ų129126.6 Ų126.678%0.78276%0.764SS**  cis-142.3167.610.7-156.10000108.8
712G38.7Very low40.4Very low81 Ų81127 Ų12784%0.83576%0.762SS**  trans179.182.2168.200000118.8
713G45.5Very low40Very low72 Ų72125.9 Ų125.974%0.74276%0.763SS**  trans-160139162.600000112.3
714Q41.3Very low39.8Very low173 Ų173126 Ų12681%0.80876%0.761SS**  trans-166.1150.5166.7-113.8-167.88.900114.5
715N43.5Very low40.1Very low116 Ų116127.7 Ų127.762%0.6276%0.759SS**  trans78.8106.1141.2-66.9-2.6000124.6
716C37.6Very low40.1Very low123 Ų123126.4 Ų126.483%0.83176%0.756SS**  77.5143.2115.4-60.50000121.3
717G39.4Very low40.2Very low72 Ų72127.9 Ų127.974%0.74276%0.762SS**  trans-178.94.5178.700000123.3
718N38.5Very low40.1Very low159 Ų159127.4 Ų127.485%0.8576%0.762SS**  trans49.9158157.8-73.20.1000124.6
719E41.8Very low40Very low148 Ų148128.7 Ų128.769%0.69276%0.761SS**  trans80.6103.7151.4-79.3-159.7123.300124
720K39.1Very low39.9Very low158 Ų158129.5 Ų129.569%0.68776%0.76SS**  67.6130.3115.3-76.2-176.8-163.5148.60123.5
721Q34.5Very low39.9Very low163 Ų163125.6 Ų125.676%0.76275%0.748SS**  trans84.6121.3134.4-76.1-173.319.400122.2
722V34.4Very low39.7Very low133 Ų133130.4 Ų130.481%0.80675%0.752SS**  trans61.1105.9132.5-1760000118.7
723A38.3Very low39.8Very low96 Ų96132.1 Ų132.179%0.79375%0.746SS**  -179.2131117.500000113.6
724T37Very low39.8Very low132 Ų132133.6 Ų133.681%0.8174%0.741SS**  trans-72.6165154.652.20000108.9
725P45.8Very low39.9Very low109 Ų109136.1 Ų136.171%0.70875%0.745SS**  cis-163.617845.945.7-22.6000121.6
726T37.6Very low39.7Very low103 Ų103134.4 Ų134.463%0.63275%0.747SS**  trans74111.2136.6-79.30000121.8
727K38.7Very low40.5Very low178 Ų178135.2 Ų135.277%0.77474%0.741SS**  trans50.1138.2131-45.8173.7-164.6177.70118.9
728M39.4Very low41Very low156 Ų156137.3 Ų137.377%0.76874%0.742SS**  -178.7135.778.6-91.6-155.9-163.400114.6
729T38.7Very low41.5Very low117 Ų117135.6 Ų135.672%0.71873%0.732SS**  trans65159.3139.8670000119.4
730L41.8Very low41.7Very low157 Ų157133.7 Ų133.782%0.82273%0.732SS**  cis-164.5167.8-9.4-131.373.5000105.9
731A42.2Very low41.5Very low63 Ų63134 Ų13452%0.52174%0.736SS.*  cis-170.6156.9-7.500000110.7
732R41.1Very low41.9Very low230 Ų230134.5 Ų134.587%0.86874%0.738SS**  trans66.8156.4146.3-66.9172.7171.1166.4-4.3117.6
733T39.8Very low42Very low117 Ų117132.3 Ų132.372%0.71873%0.734SS**  cis-176.2159.5-9.932.30000106.7
734T44.6Very low42.2Very low103 Ų103134 Ų13463%0.63274%0.735SS**  cis178.2175.6-13-79.70000106.6
735Y44.6Very low42.3Very low225 Ų225135 Ų13588%0.88273%0.73SS**  trans79.8139.4-179.9-52.1-78.6000114.3
736A39.3Very low41.9Very low81 Ų81137.3 Ų137.367%0.66973%0.731SS**  cis-159.6140.8-14.400000107
737I53.7Low42.1Very low139 Ų139143.4 Ų143.471%0.71374%0.743SS**  60.8126.366-64.5178.6000111.3I739I737-I739 HydrophobicContact CG1-CD1 4.4Å; I737-I739 HydrophobicContact CG2-CD1 3.94Å; I737-I739 HydrophobicContact CG2-CG1 4.42Å
738P49.5Very low42Very low116 Ų116140.5 Ų140.575%0.75374%0.736SS**  cis-111.51702843.9-35.6000115.1
739I49Very low42Very low124 Ų124140.8 Ų140.864%0.63674%0.735SS**  cis83.3139.423.5-58.8178.9000114.2I737I737-I739 HydrophobicContact CG1-CD1 4.4Å; I737-I739 HydrophobicContact CG2-CD1 3.94Å; I737-I739 HydrophobicContact CG2-CG1 4.42Å
740P46.2Very low42Very low108 Ų108141.8 Ų141.870%0.70173%0.732SS**  cis-111.5179.4-11.443-30.8000111.8
741Q36.5Very low42Very low165 Ų165142 Ų14277%0.77173%0.726SS**  cis89.3149.99.7-139.4174.610.500118
742E41.6Very low42Very low173 Ų173145.3 Ų145.381%0.80874%0.739SS**  trans72.9114.2178.3-56.9178.8-166.500114.5
743A37.5Very low42.4Very low86 Ų86139.4 Ų139.471%0.71173%0.731SS**  cis82.1159.720.300000116.7
744T41.6Very low42.6Very low133 Ų133139.6 Ų139.682%0.81673%0.732SS**  trans69.5155.9-177.467.80000115.9
745Q40.2Very low42.5Very low152 Ų152140.1 Ų140.171%0.7174%0.74SS**  cis169.2152.7-26.3177.4170.58.700105
746E37.2Very low42.4Very low157 Ų157133.9 Ų133.973%0.73474%0.735SS**  trans-26.6134.7167.7-47.1153.196.600116.7
747R40.6Very low42.7Very low231 Ų231138.9 Ų138.987%0.87274%0.744SS**  -171.7133.6120-108.3176.9-179.5123.16115.1
748N37.2Very low42.1Very low118 Ų118137.9 Ų137.963%0.63174%0.744SS**  20.6138.2129.3-72.840000121.7
749E39.2Very low41.9Very low161 Ų161137.7 Ų137.775%0.75274%0.742SS**  trans70.8146.2146.3-62159.9-117.600115.5
750E39.5Very low42Very low139 Ų139137.1 Ų137.165%0.6574%0.744SS**  cis-159.3132.623.4-154.3-173.3156.500113.1
751K41.5Very low41.9Very low162 Ų162140.7 Ų140.770%0.70475%0.751SS**  trans50.7128.5146.5-68.5166-152.9156.50123.6
752V41.1Very low42.1Very low131 Ų131136.2 Ų136.279%0.79475%0.749SS**  1.4149.6128.8-87.20000119.1
753P49.1Very low42Very low107 Ų107137.6 Ų137.670%0.69576%0.756SS**  cis-153.916944.342.5-21.3000121.4
754T44Very low42.3Very low120 Ų120141.4 Ų141.474%0.73676%0.759SS**  trans68105.5144.542.70000123.4
755S43.4Very low42.3Very low114 Ų114144.6 Ų144.680%0.79776%0.761SS**  61.6105.4121.568.90000122.9
756A42.8Very low42.5Very low94 Ų94145.7 Ų145.778%0.77776%0.764SS**  -170.5109.3117.200000107.4
757E45.2Very low42.7Very low186 Ų186143.5 Ų143.587%0.86977%0.766SS**  87.4135.365.7-159.5-172.2-151.700113.8
758V42.1Very low42.7Very low118 Ų118138.3 Ų138.372%0.71576%0.76SS**  trans94.9132.7167.4-170.10000119.4
759T44.7Very low42.8Very low113 Ų113140.2 Ų140.269%0.69377%0.77SS**  trans61.7115.1171.340.80000116.8
760T50.1Low43Very low112 Ų112140.2 Ų140.269%0.68778%0.775SS**  cis66.3135.437.891.50000113.3
761E45.3Very low43.2Very low182 Ų182140.8 Ų140.885%0.8578%0.777SS**  cis-139.4172.2-4.2-94.6125.9121.900107.2
762G40.4Very low43.5Very low71 Ų71138.6 Ų138.673%0.73278%0.777SS**  cis146.991.5-100000112.5
763Q39.6Very low44Very low203 Ų203140.1 Ų140.195%0.94977%0.773SS**  trans-166.1151.1152.6-116.5179.2-26.800109.3
764E43.4Very low43.8Very low165 Ų165142.3 Ų142.377%0.77178%0.779SS**  trans-97.8147.6-154-64.8-172.69800115.6K766E764-K766 IonicContact OE1-NZ 2.7Å
765K42.2Very low43.9Very low200 Ų200139.8 Ų139.887%0.8778%0.777SS**  trans-124.2130.6159.3-69-171175.5-166.50108.5
766K45Very low44.1Very low175 Ų175141.3 Ų141.376%0.76178%0.776SS**  trans-136.980.6165.6-78.9179.6-178.51550109.8E764E764-K766 IonicContact OE1-NZ 2.7Å
767S40.8Very low44.7Very low111 Ų111145.7 Ų145.778%0.77678%0.78SS**  trans-80.8110.3159.346.80000108.2
768T41.3Very low45Very low122 Ų122141.3 Ų141.375%0.74877%0.766SS**  trans-101.4114.1171.641.90000109.1L770T768-L770 PolarHBondContact O-N 3.08Å
769N38.5Very low46.2Very low159 Ų159139.8 Ų139.885%0.8575%0.754SS**  trans-63.3127.7173.4-62.2-16.3000109.4
770L42.3Very low47.9Very low161 Ų161139.6 Ų139.684%0.84375%0.748SS**  trans-86.7141.1159.9-123.373.2000108.8T768 V772T768-L770 PolarHBondContact O-N 3.08Å; L770-V772 PolarHBondContact O-N 3.26Å
771E44.7Very low49.3Very low151 Ų151140.6 Ų140.671%0.70675%0.745SS**  trans-8389.7178.1-172.2178.112400108.8K773E771-K773 PolarHBondContact O-N 3.23Å; E771-K773 WeakPolarHBondContact OE1-CE 3.42Å; E771-K773 IonicContact OE1-NZ 3.98Å; E771-K773 PolarHBondContact OE1-NZ 3.43Å
772V47.1Very low50.7Low115 Ų115136.9 Ų136.970%0.69773%0.728SS**  trans-64.5129.4169.6-179.60000108.2L770L770-V772 PolarHBondContact O-N 3.26Å
773K52.6Low52.8Low163 Ų163137.8 Ų137.871%0.70972%0.719SS**  trans-113.9107.2169.9-79.6-180173.8145.70108.1E771 G775E771-K773 PolarHBondContact O-N 3.23Å; E771-K773 WeakPolarHBondContact OE1-CE 3.42Å; E771-K773 IonicContact OE1-NZ 3.98Å; E771-K773 PolarHBondContact OE1-NZ 3.43Å; K773-G775 PolarHBondContact O-N 3.45Å
774D45.3Very low54.8Low153 Ų153131.6 Ų131.682%0.81870%0.695SS**  trans-64.6122.1175.6-57-58.5000109.5
775G44.5Very low56.7Low68 Ų68127.7 Ų127.770%0.70168%0.68SS**  trans-153.347.9179.400000108.2K773 E777K773-G775 PolarHBondContact O-N 3.45Å; G775-E777 VanDerWaalsContact C-N 3.27Å; G775-E777 PolarHBondContact O-N 3.02Å
776L48.8Very low58.8Low146 Ų146125.9 Ų125.976%0.76467%0.667SS**  trans-87.169.1-168.6-150.9165.5000109.5T778L776-T778 HydrophobicContact CD2-CG2 3.65Å; L776-T778 PolarHBondContact O-N 3.08Å; L776-T778 VanDerWaalsContact O-N 3.16Å
777E54.4Low60.8Low186 Ų186127 Ų12787%0.86967%0.667SS**  trans-66.7107.3165.3-70.8-176.5143.200108.1G775 N779G775-E777 VanDerWaalsContact C-N 3.27Å; G775-E777 PolarHBondContact O-N 3.02Å; E777-N779 PolarHBondContact O-N 3.2Å
778T51.7Low63Low94 Ų94125.7 Ų125.758%0.57765%0.651SS**  trans-71.197.617846.90000109.3L776 D780L776-T778 HydrophobicContact CD2-CG2 3.65Å; L776-T778 PolarHBondContact O-N 3.08Å; L776-T778 VanDerWaalsContact O-N 3.16Å; T778-D780 VanDerWaalsContact C-N 3.35Å; T778-D780 PolarHBondContact O-N 3.04Å
779N67.9Low65.2Low85 Ų85125.5 Ų125.546%0.45564%0.642SS.*  trans-71.794.6167-175.5-18.3000108.9E777 E781 Q782 V783E777-N779 PolarHBondContact O-N 3.2Å; N779-E781 PolarHBondContact O-N 3.03Å; N779-E781 VanDerWaalsContact O-N 3.15Å; N779-E781 WeakPolarHBondContact OD1-CB 3.35Å; N779-E781 PolarHBondContact OD1-N 3.46Å; N779-Q782 PolarHBondContact O-N 2.67Å; N779-Q782 PolarHBondContact OD1-N 2.84Å; N779-V783 PolarHBondContact O-N 3.44Å
780D79.7Confident67.6Low109 Ų109120.3 Ų120.358%0.58362%0.621SS**Hα-helixtrans-57.5-25.1-179.6-67.3-30.6000112.9T778 V783 T784T778-D780 VanDerWaalsContact C-N 3.35Å; T778-D780 PolarHBondContact O-N 3.04Å; D780-V783 PolarHBondContact O-N 2.71Å; D780-T784 VanDerWaalsContact O-CB 3.3Å; D780-T784 WeakPolarHBondContact O-CB 3.37Å; D780-T784 PolarHBondContact O-N 3.08Å; D780-T784 PolarHBondContact O-OG1 3.29Å
781E79.9Confident69.8Low133 Ų133115.5 Ų115.562%0.62161%0.605SS**Hα-helixtrans-68.9-38.5175.7-163176.1-143.100111.6N779 T784 N785N779-E781 PolarHBondContact O-N 3.03Å; N779-E781 VanDerWaalsContact O-N 3.15Å; N779-E781 WeakPolarHBondContact OD1-CB 3.35Å; N779-E781 PolarHBondContact OD1-N 3.46Å; E781-T784 PolarHBondContact O-N 3.05Å; E781-N785 WeakPolarHBondContact O-CB 3.33Å; E781-N785 VanDerWaalsContact O-CG 3.26Å; E781-N785 PolarHBondContact O-N 3.48Å; E781-N785 PolarHBondContact O-ND2 3.38Å
782Q75.3Confident71.9Confident104 Ų104113.6 Ų113.649%0.48660%0.598SS.*Hα-helixtrans-67.7-37171.6-83.8-158.43400112.5N779 R786N779-Q782 PolarHBondContact O-N 2.67Å; N779-Q782 PolarHBondContact OD1-N 2.84Å; Q782-R786 WeakPolarHBondContact O-CG 3.37Å; Q782-R786 PolarHBondContact O-N 2.6Å
783V83.5Confident73.9Confident91 Ų91113.9 Ų113.955%0.55260%0.595SS**Hα-helixtrans-67.3-41.7177.3-178.30000110.1N779 D780 R787N779-V783 PolarHBondContact O-N 3.44Å; D780-V783 PolarHBondContact O-N 2.71Å; V783-R787 WeakPolarHBondContact O-CB 3.43Å; V783-R787 PolarHBondContact O-N 3.25Å
784T82.8Confident75.6Confident73 Ų73110.4 Ų110.445%0.44859%0.587SS.*Hα-helixtrans-64.6-46.7176.3-57.60000111.4D780 E781 R787 N788D780-T784 VanDerWaalsContact O-CB 3.3Å; D780-T784 WeakPolarHBondContact O-CB 3.37Å; D780-T784 PolarHBondContact O-N 3.08Å; D780-T784 PolarHBondContact O-OG1 3.29Å; E781-T784 PolarHBondContact O-N 3.05Å; T784-R787 PolarHBondContact O-N 2.89Å; T784-N788 VanDerWaalsContact O-CG 3.27Å; T784-N788 PolarHBondContact O-N 3.09Å; T784-N788 PolarHBondContact O-ND2 3.39Å
785N82.5Confident77.7Confident83 Ų83106.1 Ų106.144%0.44457%0.569SS.*Hα-helixtrans-62.4-45.7178.6-74.3-19.1000112.2E781 R787 N788 E789E781-N785 WeakPolarHBondContact O-CB 3.33Å; E781-N785 VanDerWaalsContact O-CG 3.26Å; E781-N785 PolarHBondContact O-N 3.48Å; E781-N785 PolarHBondContact O-ND2 3.38Å; N785-R787 VanDerWaalsContact C-N 3.28Å; N785-R787 PolarHBondContact O-N 3Å; N785-N788 PolarHBondContact O-N 2.76Å; N785-N788 VanDerWaalsContact O-N 3.17Å; N785-E789 WeakPolarHBondContact O-CG 3.46Å; N785-E789 PolarHBondContact O-N 3.36Å
786R85.8Confident79.7Confident161 Ų161110.1 Ų110.161%0.60856%0.564SS**Hα-helixtrans-63-33.7175.1-68.7-176.5-153.5-173.69.1113Q782 A790Q782-R786 WeakPolarHBondContact O-CG 3.37Å; Q782-R786 PolarHBondContact O-N 2.6Å; R786-A790 WeakPolarHBondContact O-CB 3.48Å; R786-A790 PolarHBondContact O-N 2.95Å
787R86.8Confident81.6Confident200 Ų200108.5 Ų108.576%0.75555%0.553SS**Hα-helixtrans-68.8-37.1175.8-168.5173.6-171.3152.84.2111.9V783 T784 N785 A791V783-R787 WeakPolarHBondContact O-CB 3.43Å; V783-R787 PolarHBondContact O-N 3.25Å; T784-R787 PolarHBondContact O-N 2.89Å; N785-R787 VanDerWaalsContact C-N 3.28Å; N785-R787 PolarHBondContact O-N 3Å; R787-A791 PolarHBondContact O-N 3.15Å; R787-A791 VanDerWaalsContact O-N 3.11Å
788N87Confident83Confident83 Ų83105.6 Ų105.644%0.44454%0.539SS..Hα-helixtrans-70.6-43.8174.6-67.1-16.5000111.5T784 N785 A790 A791 I792T784-N788 VanDerWaalsContact O-CG 3.27Å; T784-N788 PolarHBondContact O-N 3.09Å; T784-N788 PolarHBondContact O-ND2 3.39Å; N785-N788 PolarHBondContact O-N 2.76Å; N785-N788 VanDerWaalsContact O-N 3.17Å; N788-A790 VanDerWaalsContact C-N 3.35Å; N788-A790 PolarHBondContact O-N 2.87Å; N788-A791 PolarHBondContact O-N 2.89Å; N788-I792 VanDerWaalsContact O-CG1 3.28Å; N788-I792 WeakPolarHBondContact O-CG1 3.45Å; N788-I792 PolarHBondContact O-N 3.32Å
789E88.7Confident84.6Confident117 Ų117106.9 Ų106.955%0.54754%0.542SS..Hα-helixtrans-56.8-46.3173.4-73.7171.9164.700111.5N785 I792 L793N785-E789 WeakPolarHBondContact O-CG 3.46Å; N785-E789 PolarHBondContact O-N 3.36Å; E789-I792 PolarHBondContact O-N 2.99Å; E789-L793 WeakPolarHBondContact O-CG 3.4Å; E789-L793 PolarHBondContact O-N 3.07Å
790A87.6Confident85.4Confident51 Ų51107.7 Ų107.742%0.42154%0.543SS..Hα-helixtrans-60.8-45.8176.100000112.3R786 N788 I792 L793 T794R786-A790 WeakPolarHBondContact O-CB 3.48Å; R786-A790 PolarHBondContact O-N 2.95Å; N788-A790 VanDerWaalsContact C-N 3.35Å; N788-A790 PolarHBondContact O-N 2.87Å; A790-I792 VanDerWaalsContact C-N 3.33Å; A790-I792 PolarHBondContact O-N 3.39Å; A790-L793 PolarHBondContact O-N 3.13Å; A790-T794 PolarHBondContact O-N 3.07Å; A790-T794 PolarHBondContact O-OG1 2.96Å; A790-T794 VanDerWaalsContact O-OG1 3.1Å
791A89.1Confident85.5Confident60 Ų60107.9 Ų107.950%0.49654%0.54SS..Hα-helixtrans-62.7-38.7177.600000112.4R787 N788 S795R787-A791 PolarHBondContact O-N 3.15Å; R787-A791 VanDerWaalsContact O-N 3.11Å; N788-A791 PolarHBondContact O-N 2.89Å; A791-S795 WeakPolarHBondContact O-CB 3.41Å; A791-S795 PolarHBondContact O-N 3.11Å; A791-S795 PolarHBondContact O-OG 3.31Å
792I88.7Confident85.6Confident111 Ų111108.7 Ų108.757%0.56954%0.542SS*.Hα-helixtrans-65-45.7175.3-68.7164.5000110.7N788 E789 A790 S795 Y796N788-I792 VanDerWaalsContact O-CG1 3.28Å; N788-I792 WeakPolarHBondContact O-CG1 3.45Å; N788-I792 PolarHBondContact O-N 3.32Å; E789-I792 PolarHBondContact O-N 2.99Å; A790-I792 VanDerWaalsContact C-N 3.33Å; A790-I792 PolarHBondContact O-N 3.39Å; I792-S795 WeakPolarHBondContact CA-OG 3.43Å; I792-S795 PolarHBondContact O-N 3.34Å; I792-S795 PolarHBondContact O-OG 2.87Å; I792-Y796 WeakPolarHBondContact O-CB 3.45Å; I792-Y796 PolarHBondContact O-N 3.48Å
793L89.1Confident85.6Confident121 Ų121107.7 Ų107.763%0.63455%0.552SS**Hα-helixtrans-60.4-48.3176.2-72168.9000112.3E789 A790 S795 Y796 E797E789-L793 WeakPolarHBondContact O-CG 3.4Å; E789-L793 PolarHBondContact O-N 3.07Å; A790-L793 PolarHBondContact O-N 3.13Å; L793-S795 VanDerWaalsContact C-N 3.35Å; L793-S795 PolarHBondContact O-N 2.92Å; L793-Y796 PolarHBondContact O-N 3.15Å; L793-E797 PolarHBondContact O-N 3.4Å
794T89.4Confident84.9Confident89 Ų89108.9 Ų108.955%0.54656%0.559SS.*Hα-helixtrans-62.3-39.7178.5-54.90000112.2A790 E797 H798A790-T794 PolarHBondContact O-N 3.07Å; A790-T794 PolarHBondContact O-OG1 2.96Å; A790-T794 VanDerWaalsContact O-OG1 3.1Å; T794-E797 PolarHBondContact O-N 2.94Å; T794-H798 WeakPolarHBondContact O-CB 3.41Å; T794-H798 PolarHBondContact O-N 3.48Å
795S89.1Confident84Confident63 Ų63111.9 Ų111.944%0.44157%0.568SS.*Hα-helixtrans-69-33.7176.2600000113.2A791 I792 L793 L799A791-S795 WeakPolarHBondContact O-CB 3.41Å; A791-S795 PolarHBondContact O-N 3.11Å; A791-S795 PolarHBondContact O-OG 3.31Å; I792-S795 WeakPolarHBondContact CA-OG 3.43Å; I792-S795 PolarHBondContact O-N 3.34Å; I792-S795 PolarHBondContact O-OG 2.87Å; L793-S795 VanDerWaalsContact C-N 3.35Å; L793-S795 PolarHBondContact O-N 2.92Å; S795-L799 WeakPolarHBondContact O-CD1 3.43Å; S795-L799 PolarHBondContact O-N 2.93Å
796Y86.8Confident82.5Confident152 Ų152112.9 Ų112.960%0.59658%0.579SS**Hα-helixtrans-70.7-39.4174.5-169.6-119000112I792 L793 L799 Q800I792-Y796 WeakPolarHBondContact O-CB 3.45Å; I792-Y796 PolarHBondContact O-N 3.48Å; L793-Y796 PolarHBondContact O-N 3.15Å; Y796-L799 PolarHBondContact O-N 3.36Å; Y796-Q800 PolarHBondContact O-N 2.95Å
797E87.3Confident81.2Confident112 Ų112108.7 Ų108.752%0.52357%0.574SS.*Hα-helixtrans-63.5-44.2172.7-173.4178.317600111.5L793 T794 L799 Q800 Q801L793-E797 PolarHBondContact O-N 3.4Å; T794-E797 PolarHBondContact O-N 2.94Å; E797-L799 VanDerWaalsContact C-N 3.27Å; E797-L799 PolarHBondContact O-N 2.99Å; E797-Q800 PolarHBondContact O-N 3.29Å; E797-Q800 VanDerWaalsContact O-N 3.09Å; E797-Q801 WeakPolarHBondContact O-CG 3.45Å; E797-Q801 PolarHBondContact O-N 3.22Å; E797-Q801 PolarHBondContact OE1-NE2 2.91Å
798H85.5Confident80Confident125 Ų125106.4 Ų106.458%0.57957%0.572SS**Hα-helixtrans-66.9-27.5176.8-160.4-40.6000112.6T794 K802T794-H798 WeakPolarHBondContact O-CB 3.41Å; T794-H798 PolarHBondContact O-N 3.48Å; H798-K802 WeakPolarHBondContact O-CB 3.47Å; H798-K802 PolarHBondContact O-N 3.03Å
799L85Confident78.8Confident122 Ų122110.2 Ų110.264%0.63959%0.588SS**Hα-helixtrans-69.4-42.6168-107.294.9000112S795 Y796 E797 K802 A803S795-L799 WeakPolarHBondContact O-CD1 3.43Å; S795-L799 PolarHBondContact O-N 2.93Å; Y796-L799 PolarHBondContact O-N 3.36Å; E797-L799 VanDerWaalsContact C-N 3.27Å; E797-L799 PolarHBondContact O-N 2.99Å; L799-K802 PolarHBondContact O-N 3.42Å; L799-A803 WeakPolarHBondContact O-CB 3.36Å; L799-A803 PolarHBondContact O-N 3.31Å
800Q84.8Confident77.9Confident102 Ų102111.8 Ų111.848%0.47759%0.592SS.*Hα-helixtrans-63.7-45.7177.1-73.9-177.739.200111.7Y796 E797 K802 A803 T804Y796-Q800 PolarHBondContact O-N 2.95Å; E797-Q800 PolarHBondContact O-N 3.29Å; E797-Q800 VanDerWaalsContact O-N 3.09Å; Q800-K802 VanDerWaalsContact C-N 3.29Å; Q800-K802 PolarHBondContact O-N 3.39Å; Q800-A803 CarbonylContact O-C 3.46Å; Q800-A803 WeakPolarHBondContact O-CA 3.36Å; Q800-A803 PolarHBondContact O-N 2.93Å; Q800-T804 PolarHBondContact O-N 3.02Å; Q800-T804 PolarHBondContact O-OG1 2.84Å
801Q80.2Confident77.4Confident112 Ų112114 Ų11452%0.52360%0.597SS.*Hα-helixtrans-57.7-43.5176.5-69.4179.212.200111.2E797 A803 T804E797-Q801 WeakPolarHBondContact O-CG 3.45Å; E797-Q801 PolarHBondContact O-N 3.22Å; E797-Q801 PolarHBondContact OE1-NE2 2.91Å; Q801-A803 VanDerWaalsContact C-N 3.29Å; Q801-A803 PolarHBondContact O-N 2.97Å; Q801-T804 PolarHBondContact O-N 3.32Å; Q801-T804 VanDerWaalsContact O-N 3.08Å
802K83.5Confident77.2Confident150 Ų150116.5 Ų116.565%0.65260%0.602SS**Hα-helixtrans-70.3-19.9175.5-171.1164.4-174.41720114.4H798 L799 Q800H798-K802 WeakPolarHBondContact O-CB 3.47Å; H798-K802 PolarHBondContact O-N 3.03Å; L799-K802 PolarHBondContact O-N 3.42Å; Q800-K802 VanDerWaalsContact C-N 3.29Å; Q800-K802 PolarHBondContact O-N 3.39Å
803A73.8Confident76.8Confident84 Ų84116.5 Ų116.569%0.69460%0.6SS**THydrogen-bonded Turntrans-90.21171.300000113.2L799 Q800 Q801L799-A803 WeakPolarHBondContact O-CB 3.36Å; L799-A803 PolarHBondContact O-N 3.31Å; Q800-A803 CarbonylContact O-C 3.46Å; Q800-A803 WeakPolarHBondContact O-CA 3.36Å; Q800-A803 PolarHBondContact O-N 2.93Å; Q801-A803 VanDerWaalsContact C-N 3.29Å; Q801-A803 PolarHBondContact O-N 2.97Å
804T69.7Low76.5Confident116 Ų116116.4 Ų116.471%0.71260%0.596SS**SBendtrans-113.89.5178.1-39.50000111.9Q800 Q801Q800-T804 PolarHBondContact O-N 3.02Å; Q800-T804 PolarHBondContact O-OG1 2.84Å; Q801-T804 PolarHBondContact O-N 3.32Å; Q801-T804 VanDerWaalsContact O-N 3.08Å
805E62.8Low76.4Confident136 Ų136117.3 Ų117.364%0.63660%0.597SS**SBendtrans-69.1140.9160.5-65.3-176.7124.700108.5S807E805-S807 PolarHBondContact O-N 3.47Å
806P51.4Low76.1Confident103 Ų103120.2 Ų120.267%0.66960%0.604SS**  trans-65.3122.4-166.125-34.5000112.4
807S58.4Low76.2Confident73 Ų73118 Ų11851%0.5160%0.599SS.*SBendtrans-77.2-25.7-178.366.30000113.9E805 Q809 K810 D811E805-S807 PolarHBondContact O-N 3.47Å; S807-Q809 VanDerWaalsContact C-N 3.28Å; S807-Q809 PolarHBondContact O-N 3.16Å; S807-Q809 VanDerWaalsContact O-N 3.15Å; S807-K810 WeakPolarHBondContact O-CA 3.5Å; S807-K810 VanDerWaalsContact O-CB 3.29Å; S807-K810 WeakPolarHBondContact O-CB 3.34Å; S807-K810 PolarHBondContact O-N 3.33Å; S807-D811 PolarHBondContact O-N 2.95Å; S807-D811 PolarHBondContact OG-OD2 3.03Å
808E61.6Low76Confident152 Ų152118.4 Ų118.471%0.7160%0.601SS**Hα-helixtrans-50.4-44.7-172.7-61.1173.3150.800112.4K810 D811 D812E808-K810 PolarHBondContact O-N 3.28Å; E808-K810 VanDerWaalsContact O-N 3.1Å; E808-D811 PolarHBondContact O-N 3.14Å; E808-D812 PolarHBondContact O-N 3.03Å
809Q61.8Low76.1Confident164 Ų164117.8 Ų117.877%0.76660%0.598SS**Hα-helixtrans-67.6-11.9179.7-163.9173.424.300114.1S807S807-Q809 VanDerWaalsContact C-N 3.28Å; S807-Q809 PolarHBondContact O-N 3.16Å; S807-Q809 VanDerWaalsContact O-N 3.15Å
810K69.8Low76.3Confident149 Ų149116.7 Ų116.765%0.64859%0.593SS**Hα-helixtrans-100.3-35.6-179.9-160.7174.7-173.2177.90112.3S807 E808 D812 Q813 E814S807-K810 WeakPolarHBondContact O-CA 3.5Å; S807-K810 VanDerWaalsContact O-CB 3.29Å; S807-K810 WeakPolarHBondContact O-CB 3.34Å; S807-K810 PolarHBondContact O-N 3.33Å; E808-K810 PolarHBondContact O-N 3.28Å; E808-K810 VanDerWaalsContact O-N 3.1Å; K810-D812 VanDerWaalsContact C-N 3.3Å; K810-Q813 PolarHBondContact O-N 2.78Å; K810-E814 PolarHBondContact O-N 3.32Å
811D78.5Confident76.5Confident97 Ų97116.1 Ų116.152%0.51960%0.596SS.*Hα-helixtrans-63.6-40172.9-58.1-41.4000109.9S807 E808 Q813 E814 L815S807-D811 PolarHBondContact O-N 2.95Å; S807-D811 PolarHBondContact OG-OD2 3.03Å; E808-D811 PolarHBondContact O-N 3.14Å; D811-Q813 VanDerWaalsContact C-N 3.34Å; D811-Q813 PolarHBondContact O-N 3.25Å; D811-E814 PolarHBondContact O-N 3.38Å; D811-L815 WeakPolarHBondContact O-CB 3.33Å; D811-L815 PolarHBondContact O-N 3.12Å
812D84.5Confident76.8Confident113 Ų113116.7 Ų116.760%0.60460%0.599SS**Hα-helixtrans-58-39.9170.6-78.8-17.2000113.2E808 K810 Q816E808-D812 PolarHBondContact O-N 3.03Å; K810-D812 VanDerWaalsContact C-N 3.3Å; D812-Q816 PolarHBondContact O-N 3.28Å; D812-Q816 VanDerWaalsContact O-N 3.08Å
813Q79.6Confident77Confident112 Ų112115 Ų11552%0.52359%0.593SS.*Hα-helixtrans-69.9-44178.4-177.7178-19.500111.3K810 D811 L815 Q816 E817K810-Q813 PolarHBondContact O-N 2.78Å; D811-Q813 VanDerWaalsContact C-N 3.34Å; D811-Q813 PolarHBondContact O-N 3.25Å; Q813-L815 VanDerWaalsContact C-N 3.29Å; Q813-L815 PolarHBondContact O-N 3.4Å; Q813-Q816 PolarHBondContact O-N 3.18Å; Q813-E817 WeakPolarHBondContact CG-OE1 3.28Å; Q813-E817 PolarHBondContact NE2-OE1 3.19Å; Q813-E817 WeakPolarHBondContact O-CG 3.38Å; Q813-E817 PolarHBondContact O-N 3.35Å
814E83.7Confident77.6Confident119 Ų119116.3 Ų116.356%0.55659%0.588SS**Hα-helixtrans-67.2-31.8179.2-165.5163.7165.100111.5K810 D811 Q818K810-E814 PolarHBondContact O-N 3.32Å; D811-E814 PolarHBondContact O-N 3.38Å; E814-Q818 WeakPolarHBondContact O-CG 3.41Å; E814-Q818 PolarHBondContact O-N 3.26Å
815L86.4Confident78.4Confident107 Ų107117.2 Ų117.256%0.5658%0.584SS**Hα-helixtrans-66.1-44.2171.8-16673.7000112.2D811 Q813 Q818 Q819D811-L815 WeakPolarHBondContact O-CB 3.33Å; D811-L815 PolarHBondContact O-N 3.12Å; Q813-L815 VanDerWaalsContact C-N 3.29Å; Q813-L815 PolarHBondContact O-N 3.4Å; L815-Q818 PolarHBondContact O-N 3.23Å; L815-Q819 PolarHBondContact O-N 3.16Å
816Q83.2Confident79.4Confident125 Ų125114.1 Ų114.158%0.58457%0.572SS**Hα-helixtrans-70.2-33.3177.3-176.5158.667.700112.3D812 Q813 N820D812-Q816 PolarHBondContact O-N 3.28Å; D812-Q816 VanDerWaalsContact O-N 3.08Å; Q813-Q816 PolarHBondContact O-N 3.18Å; Q816-N820 PolarHBondContact O-N 3.38Å; Q816-N820 PolarHBondContact O-ND2 3.1Å
817E88.1Confident80.7Confident106 Ų106114.9 Ų114.950%0.49557%0.567SS.*Hα-helixtrans-65-38.4171-75.9179-153.800111.6Q813 N820 V821Q813-E817 WeakPolarHBondContact CG-OE1 3.28Å; Q813-E817 PolarHBondContact NE2-OE1 3.19Å; Q813-E817 WeakPolarHBondContact O-CG 3.38Å; Q813-E817 PolarHBondContact O-N 3.35Å; E817-N820 PolarHBondContact O-N 3.45Å; E817-V821 WeakPolarHBondContact O-CG2 3.26Å; E817-V821 PolarHBondContact O-N 3.46Å; E817-V821 VanDerWaalsContact O-N 3.15Å
818Q84.7Confident81.6Confident119 Ų119116.6 Ų116.656%0.55657%0.567SS**Hα-helixtrans-65-45.9174.7-74.8176.544.600113E814 L815 N820 V821 E822E814-Q818 WeakPolarHBondContact O-CG 3.41Å; E814-Q818 PolarHBondContact O-N 3.26Å; L815-Q818 PolarHBondContact O-N 3.23Å; Q818-N820 VanDerWaalsContact C-N 3.26Å; Q818-N820 PolarHBondContact O-N 2.99Å; Q818-V821 PolarHBondContact O-N 3.11Å; Q818-V821 VanDerWaalsContact O-N 3.09Å; Q818-E822 PolarHBondContact O-N 3.06Å
819Q86.3Confident82.4Confident113 Ų113115.1 Ų115.153%0.52856%0.56SS.*Hα-helixtrans-58.8-37.3175.5-75.4-169.1-37.600112.8L815 E822 Q823L815-Q819 PolarHBondContact O-N 3.16Å; Q819-E822 PolarHBondContact O-N 3.34Å; Q819-Q823 WeakPolarHBondContact O-CG 3.45Å; Q819-Q823 PolarHBondContact O-N 3.43Å; Q819-Q823 VanDerWaalsContact O-N 3.08Å
820N89.1Confident83Confident98 Ų98113.8 Ų113.852%0.52455%0.551SS.*Hα-helixtrans-67.8-34.2176.5-77.4-57.1000112.6Q816 E817 Q818 L824Q816-N820 PolarHBondContact O-N 3.38Å; Q816-N820 PolarHBondContact O-ND2 3.1Å; E817-N820 PolarHBondContact O-N 3.45Å; Q818-N820 VanDerWaalsContact C-N 3.26Å; Q818-N820 PolarHBondContact O-N 2.99Å; N820-L824 WeakPolarHBondContact O-CB 3.36Å; N820-L824 PolarHBondContact O-N 2.93Å
821V89.3Confident83.1Confident91 Ų91113.5 Ų113.555%0.55255%0.55SS**Hα-helixtrans-68.7-46.1174.1172.10000110.8E817 Q818 Q823 L824 E825E817-V821 WeakPolarHBondContact O-CG2 3.26Å; E817-V821 PolarHBondContact O-N 3.46Å; E817-V821 VanDerWaalsContact O-N 3.15Å; Q818-V821 PolarHBondContact O-N 3.11Å; Q818-V821 VanDerWaalsContact O-N 3.09Å; V821-Q823 PolarHBondContact O-N 2.85Å; V821-L824 PolarHBondContact O-N 3.44Å; V821-E825 PolarHBondContact O-N 2.91Å
822E87.2Confident82.5Confident123 Ų123114.1 Ų114.158%0.57555%0.553SS**Hα-helixtrans-61.6-40.4-179.9-173.2173.7-160.500112.3Q818 Q819 L824 N826Q818-E822 PolarHBondContact O-N 3.06Å; Q819-E822 PolarHBondContact O-N 3.34Å; E822-L824 VanDerWaalsContact C-N 3.28Å; E822-L824 PolarHBondContact O-N 3.39Å; E822-N826 WeakPolarHBondContact O-CB 3.38Å; E822-N826 PolarHBondContact O-N 3.19Å; E822-N826 PolarHBondContact O-ND2 3.06Å
823Q86.1Confident81.4Confident114 Ų114116.4 Ų116.453%0.53356%0.56SS.*Hα-helixtrans-67.5-24.7173.2-73.4-167.314.200114Q819 V821 Q827Q819-Q823 WeakPolarHBondContact O-CG 3.45Å; Q819-Q823 PolarHBondContact O-N 3.43Å; Q819-Q823 VanDerWaalsContact O-N 3.08Å; V821-Q823 PolarHBondContact O-N 2.85Å; Q823-Q827 WeakPolarHBondContact O-CB 3.07Å; Q823-Q827 WeakPolarHBondContact O-CG 3.31Å; Q823-Q827 PolarHBondContact O-N 3.17Å; Q823-Q827 PolarHBondContact O-NE2 2.93Å
824L88.2Confident80.3Confident112 Ų112116.8 Ų116.859%0.58657%0.571SS**Hα-helixtrans-84.4-39.4179.4-161153.1000110.9N820 V821 E822 Q827 Q828N820-L824 WeakPolarHBondContact O-CB 3.36Å; N820-L824 PolarHBondContact O-N 2.93Å; V821-L824 PolarHBondContact O-N 3.44Å; E822-L824 VanDerWaalsContact C-N 3.28Å; E822-L824 PolarHBondContact O-N 3.39Å; L824-Q827 PolarHBondContact O-N 3.37Å; L824-Q828 PolarHBondContact O-N 3.47Å
825E85.6Confident78.6Confident136 Ų136118.7 Ų118.764%0.63658%0.58SS**Hα-helixtrans-61.9-47.8171.7-167.7156.9-146.200110.7V821 Q827 Q828 E829V821-E825 PolarHBondContact O-N 2.91Å; E825-Q827 PolarHBondContact O-N 2.96Å; E825-Q827 VanDerWaalsContact O-N 3.16Å; E825-Q828 PolarHBondContact O-N 3.17Å; E825-E829 PolarHBondContact O-N 3.18Å
826N84Confident76.5Confident70 Ų70120 Ų12037%0.37459%0.592SS.*Hα-helixtrans-58-27.7172.2-89.2-92000114.2E822 K830E822-N826 WeakPolarHBondContact O-CB 3.38Å; E822-N826 PolarHBondContact O-N 3.19Å; E822-N826 PolarHBondContact O-ND2 3.06Å; N826-K830 WeakPolarHBondContact O-CD 3.46Å; N826-K830 VanDerWaalsContact O-CG 3.31Å; N826-K830 WeakPolarHBondContact O-CG 3.18Å
827Q79.4Confident74.8Confident120 Ų120123.5 Ų123.556%0.56161%0.609SS**Hα-helixtrans-87-16.2175.3-86.5-175.783.500113.9Q823 L824 E825Q823-Q827 WeakPolarHBondContact O-CB 3.07Å; Q823-Q827 WeakPolarHBondContact O-CG 3.31Å; Q823-Q827 PolarHBondContact O-N 3.17Å; Q823-Q827 PolarHBondContact O-NE2 2.93Å; L824-Q827 PolarHBondContact O-N 3.37Å; E825-Q827 PolarHBondContact O-N 2.96Å; E825-Q827 VanDerWaalsContact O-N 3.16Å
828Q77.4Confident73.1Confident109 Ų109127.3 Ų127.351%0.50962%0.623SS.*Hα-helixtrans-89.8-41.5173.8-176157.1-17.900111L824 E825 K830 K831 D832L824-Q828 PolarHBondContact O-N 3.47Å; E825-Q828 PolarHBondContact O-N 3.17Å; Q828-K830 VanDerWaalsContact C-N 3.32Å; Q828-K830 PolarHBondContact O-N 2.89Å; Q828-K831 WeakPolarHBondContact O-CA 3.45Å; Q828-K831 WeakPolarHBondContact O-CB 3.37Å; Q828-K831 PolarHBondContact O-N 3.07Å; Q828-D832 PolarHBondContact O-N 3.21Å
829E76.5Confident71.7Confident121 Ų121127.1 Ų127.157%0.56563%0.633SS**Hα-helixtrans-56.7-45.7173-166.7165.5-131.400111E825 K831 D832 E833E825-E829 PolarHBondContact O-N 3.18Å; E829-K831 PolarHBondContact O-N 2.93Å; E829-K831 VanDerWaalsContact O-N 3.11Å; E829-D832 PolarHBondContact O-N 2.96Å; E829-E833 WeakPolarHBondContact O-CB 3.31Å; E829-E833 WeakPolarHBondContact O-CG 3.34Å; E829-E833 PolarHBondContact O-N 3.21Å
830K75.5Confident69.6Low136 Ų136131.1 Ų131.159%0.59165%0.651SS**Hα-helixtrans-63.3-15.1173.3-73174.1-175.8167.30115.3N826 Q828 T834N826-K830 WeakPolarHBondContact O-CD 3.46Å; N826-K830 VanDerWaalsContact O-CG 3.31Å; N826-K830 WeakPolarHBondContact O-CG 3.18Å; Q828-K830 VanDerWaalsContact C-N 3.32Å; Q828-K830 PolarHBondContact O-N 2.89Å; K830-T834 PolarHBondContact O-OG1 3.38Å
831K71.6Confident67.7Low143 Ų143135.8 Ų135.862%0.62267%0.667SS**Hα-helixtrans-89.4-46170.8-77.1171.3-178.1157.90111Q828 E829 E833 T834Q828-K831 WeakPolarHBondContact O-CA 3.45Å; Q828-K831 WeakPolarHBondContact O-CB 3.37Å; Q828-K831 PolarHBondContact O-N 3.07Å; E829-K831 PolarHBondContact O-N 2.93Å; E829-K831 VanDerWaalsContact O-N 3.11Å; K831-E833 VanDerWaalsContact C-N 3.3Å; K831-E833 PolarHBondContact O-N 3.1Å; K831-T834 PolarHBondContact O-N 3.01Å
832D66.4Low65.4Low109 Ų109140.9 Ų140.958%0.58369%0.685SS**Hα-helixtrans-69.5-27.1-178-66.3-23.9000111.7Q828 E829 T834Q828-D832 PolarHBondContact O-N 3.21Å; E829-D832 PolarHBondContact O-N 2.96Å; D832-T834 VanDerWaalsContact C-N 3.32Å; D832-T834 PolarHBondContact O-N 2.98Å
833E61.2Low63.3Low161 Ų161141.9 Ų141.975%0.75269%0.694SS**THydrogen-bonded Turntrans-70.8-20.3168.1-75.1-163.4132.300114.3E829 K831E829-E833 WeakPolarHBondContact O-CB 3.31Å; E829-E833 WeakPolarHBondContact O-CG 3.34Å; E829-E833 PolarHBondContact O-N 3.21Å; K831-E833 VanDerWaalsContact C-N 3.3Å; K831-E833 PolarHBondContact O-N 3.1Å
834T57.3Low61Low121 Ų121142.8 Ų142.874%0.74271%0.707SS**THydrogen-bonded Turntrans-88.6-5.8-176.4-53.50000112.6K830 K831 D832K830-T834 PolarHBondContact O-OG1 3.38Å; K831-T834 PolarHBondContact O-N 3.01Å; D832-T834 VanDerWaalsContact C-N 3.32Å; D832-T834 PolarHBondContact O-N 2.98Å
835E47.2Very low58.9Low159 Ų159144.3 Ų144.374%0.74372%0.716SS**SBendtrans-131.5120.6-177.2-154.5171.3-175.500112.7
836T41.7Very low56.6Low135 Ų135146.9 Ų146.983%0.82873%0.728SS**  trans97.260.8172.6-34.40000118.2
837E48.1Very low54.6Low198 Ų198152.5 Ų152.593%0.92575%0.752SS**  trans-124.7135.1136.4-160.8174.7-137.300110.6
838K51.5Low52.9Low185 Ų185151.7 Ų151.780%0.80476%0.758SS**  trans-141.9106.3-167.4-176.3-178.8-179.5-178.70109.7E840K838-E840 PolarHBondContact O-N 3.03Å
839P55Low51.2Low116 Ų116153.3 Ų153.375%0.75377%0.765SS**  trans-72119.5-167.226.4-34.3000112.5
840E43.6Very low49.8Very low196 Ų196155 Ų15592%0.91677%0.771SS**  trans-77.8116.5164.6-63.9-167.9139.500109.6K838K838-E840 PolarHBondContact O-N 3.03Å
841K48Very low48.4Very low197 Ų197158.2 Ų158.286%0.85779%0.787SS**  trans-130.396.5163.9-82.4-167.5173.6-177.80110.4N843K841-N843 PolarHBondContact O-N 3.4Å
842E41.1Very low47.4Very low197 Ų197159.4 Ų159.492%0.92180%0.795SS**  trans-84.1102.8173.1-179.5-178.5-154.100110.4
843N44Very low46.5Very low145 Ų145163.6 Ų163.678%0.77581%0.812SS**  trans-159.2116.6150.4-154.4-18.7000111.9K841K841-N843 PolarHBondContact O-N 3.4Å
844T38Very low45.9Very low132 Ų132162.4 Ų162.481%0.8181%0.81SS**  trans-155.3114.2163.9-42.20000110.8
845N43.3Very low45.3Very low145 Ų145162.5 Ų162.578%0.77581%0.811SS**  trans-167.495.6162.5-106.4-45.8000111.8
846Q38.2Very low45.3Very low190 Ų190164 Ų16489%0.88882%0.818SS**  -170.8147.7101.5-100.4173.339.100114.4
847E42.1Very low45.3Very low188 Ų188161.2 Ų161.288%0.87982%0.815SS**  trans-65.3173.6-172.3-91.9-161.1104.400117.1
848P43.6Very low45.3Very low103 Ų103161.4 Ų161.467%0.66982%0.816SS**  trans-111.7-173.5-154.943.2-35.5000114
849E41.2Very low44.9Very low143 Ų143161.7 Ų161.767%0.66882%0.817SS**  174143.9119.7-95.8-164.513700113.8
850K47Very low44.7Very low157 Ų157161.4 Ų161.468%0.68382%0.815SS**  trans61.3107.3149.5-65.5159.1-172.4149.80119.6
851E45.4Very low44.9Very low202 Ų202161.6 Ų161.694%0.94482%0.816SS**  trans-66.8126.7147.3-63.1-175120.100110.5
852E51Low44.5Very low168 Ų168162 Ų16279%0.78582%0.818SS**  trans-97.5110.1166.8-71.8-161.7138.400110.5N854E852-N854 PolarHBondContact O-N 3.38Å
853E49Very low44.8Very low198 Ų198156.8 Ų156.893%0.92581%0.809SS**  trans-65.494.5169.6-170.8-169.9170.800110.3
854N47.9Very low45Very low136 Ų136158.6 Ų158.673%0.72781%0.813SS**  trans-74.1120.5166-94.8-80.7000110.1E852E852-N854 PolarHBondContact O-N 3.38Å
855V45Very low45.2Very low123 Ų123161 Ų16175%0.74581%0.814SS**  -169.3110129.6138.60000112.2
856E47Very low45.2Very low191 Ų191161.6 Ų161.689%0.89381%0.813SS**  trans42.6132.3130.7-156.4172.6-144.300121.8
857G42.2Very low45.3Very low75 Ų75159.6 Ų159.677%0.77380%0.801SS**  trans154.3127.4153.900000117.7
858E47.5Very low45.4Very low202 Ų202156.5 Ų156.594%0.94480%0.795SS**  trans-76.1136.2-176-72.4-174.394.600116.3
859K43.3Very low45.1Very low192 Ų192157.8 Ų157.884%0.83580%0.801SS**  trans-76.3150.6159.9162-161.8177.6-179.30110.8
860P49.6Very low45.3Very low109 Ų109156.4 Ų156.471%0.70880%0.804SS**  cis-137.3171.6-22.939.5-22.9000114.1
861E48.5Very low45.1Very low200 Ų200156.8 Ų156.894%0.93581%0.806SS**  trans-145.8157.3147.2-150.3161.3-14400113.8
862K40.2Very low44.9Very low206 Ų206154.5 Ų154.590%0.89680%0.796SS**  trans-144.699.7-170.9-148.8-169.7-164.7-174.50110.7
863A46.8Very low44.6Very low88 Ų88150.8 Ų150.873%0.72779%0.786SS**  trans-162142.2164.900000114.2
864E47.5Very low44Very low183 Ų183148.5 Ų148.586%0.85578%0.775SS**  trans58.981.1141.7-65.1175.5-168.800120.1
865E43.4Very low43.5Very low181 Ų181149 Ų14985%0.84677%0.773SS**  32135.2116.4-60.4-174.6148.300121.6
866E42.6Very low43.2Very low159 Ų159149.7 Ų149.774%0.74377%0.768SS**  trans64129.1158.3-66.8-163.5140.800117.4
867K41.5Very low42.7Very low148 Ų148148.5 Ų148.564%0.64376%0.76SS**  cis-176.5170.846.9-136.5177.3-16180.10113
868T43Very low42.8Very low123 Ų123153.4 Ų153.476%0.75576%0.763SS**  trans64.991.8153.945.60000121
869T37.1Very low42.8Very low130 Ų130149.4 Ų149.480%0.79875%0.754SS**  -48.1175.4129.429.60000114.4
870P46.3Very low42.4Very low113 Ų113148.7 Ų148.773%0.73475%0.754SS**  cis-137.8-167.6-19.430.1-7.1000114.1
871K41.4Very low42.1Very low166 Ų166150.3 Ų150.372%0.72275%0.752SS**  trans105.4111132.9-151.4168-175163.40119.4
872E41.4Very low42.1Very low154 Ų154146.5 Ų146.572%0.7275%0.745SS**  31158.6113.2-97.9-174.7145.300120.7
873P45.8Very low41.7Very low89 Ų89142.9 Ų142.958%0.57873%0.731SS**  cis-142.5-166.1-6.240.6-19.4000115
874E36.8Very low41.4Very low151 Ų151144.6 Ų144.671%0.70673%0.728SS**  trans68.6125.1142.4-81.4-179.1129.500123.9
875Q36.1Very low41.1Very low147 Ų147141.6 Ų141.669%0.68772%0.722SS**  91.8133.4125.3-77.5-1773000123.7
876E38.5Very low41.6Very low136 Ų136139 Ų13964%0.63672%0.721SS**  trans65.4106.3148.4-64.4-155.811900122.3
877K37.8Very low41.6Very low166 Ų166137.2 Ų137.272%0.72272%0.717SS**  59.5129.4120-64.1169.5-175.6158.30120.3
878E44Very low41.8Very low178 Ų178137 Ų13783%0.83272%0.718SS**  trans42134.9134.9-75.4-173.9142.400120.2
879P47.7Very low41.7Very low118 Ų118138 Ų13877%0.76671%0.714SS**  -151.3-177.37042.4-23.3000118.1
880E34.9Very low41.9Very low177 Ų177137.5 Ų137.583%0.82771%0.711SS**  trans-38.7150.2169.7-51.1162.3110.900117.4
881E42.7Very low41.9Very low144 Ų144139.8 Ų139.867%0.67371%0.712SS**  trans60.6143.2145.7-93.8-162-175.400120.6Q883E881-Q883 WeakPolarHBondContact OE2-CG 3.41Å; E881-Q883 PolarHBondContact OE2-NE2 3.04Å
882P48.1Very low42Very low120 Ų120139.2 Ų139.278%0.77972%0.717SS**  -151.5131.469.637.2-15.3000119
883Q31.8Very low42.3Very low130 Ų130135.5 Ų135.561%0.60772%0.72SS**  41.3142.4117.4-78.8-177.437.200124.7E881E881-Q883 WeakPolarHBondContact OE2-CG 3.41Å; E881-Q883 PolarHBondContact OE2-NE2 3.04Å
884N40.3Very low42.3Very low123 Ų123137.4 Ų137.466%0.65873%0.725SS**  trans86.794.6141.9-65.2-28.1000121.8
885T41.5Very low42.7Very low120 Ų120137.8 Ų137.874%0.73673%0.727SS**  32.9137.9111.7650000120.4
886P53.8Low43.1Very low127 Ų127137.1 Ų137.183%0.82573%0.728SS**  -146.4169.8101.937.4-23.3000115.1
887N43.5Very low43.3Very low121 Ų121136.3 Ų136.365%0.64773%0.728SS**  cis174.3138.2-24173.460.4000109.4
888E44.9Very low43.6Very low145 Ų145136 Ų13668%0.67873%0.729SS**  trans64.3156.4165.2-77.8179.5122.800118.1
889Q41.2Very low43.6Very low142 Ų142136.2 Ų136.266%0.66473%0.73SS**  cis-162136.98.9-134.3165.836.900113.2
890T41.8Very low43.3Very low121 Ų121139.5 Ų139.574%0.74273%0.733SS**  trans59.1154.9151.538.90000120.6
891E46.3Very low43.7Very low160 Ų160139.3 Ų139.375%0.74873%0.732SS**  cis-154.7143.17.1-140.6169.3-152.900111.4
892N43.4Very low44.3Very low154 Ų154136.2 Ų136.282%0.82472%0.724SS**  trans33.3126.4160.1-51.2-23.3000120.5
893G47.5Very low43.9Very low76 Ų76136.3 Ų136.378%0.78472%0.723SS**  cis174.9-1469.800000108.6
894N45.8Very low44.2Very low129 Ų129136.9 Ų136.969%0.6973%0.725SS**  cis-173.5113-3.8176.6105.3000110.3
895E44.2Very low44.1Very low159 Ų159136.9 Ų136.974%0.74373%0.725SS**  trans62.9138164.6-58.1168.6146.900118
896N44.5Very low44.3Very low133 Ų133140.8 Ų140.871%0.71174%0.735SS**  cis-159.5158.6-4.1-102.1-1.4000111.4
897N43.6Very low43.8Very low119 Ų119143.2 Ų143.264%0.63674%0.736SS**  trans44.5122.6158-77.851.9000121
898E45Very low43.6Very low160 Ų160143.4 Ų143.475%0.74874%0.741SS**  75126.769.6-71.9173.1174.600112.4
899E42.8Very low43.6Very low183 Ų183144.5 Ų144.586%0.85574%0.743SS**  cis-144.5-179.81-165.9154.8-163.800111.9
900K41.7Very low43.5Very low187 Ų187146.3 Ų146.381%0.81375%0.752SS**  trans-95.5157.8-169-47.2172.5-176.3169.80111.7
901Q44.2Very low43.5Very low172 Ų172147.8 Ų147.880%0.80475%0.75SS**  cis74.8152.326-134.9-139.7-5.400114.7
902P54.2Low42.9Very low80 Ų80145.5 Ų145.552%0.51975%0.748SS.*  -114.1-164.6-79.440-25.3000110.4
903T39.6Very low42.7Very low122 Ų122144.6 Ų144.675%0.74874%0.743SS**  -154.1156.361.854.30000109.7
904Q37.8Very low42Very low142 Ų142149.5 Ų149.566%0.66475%0.745SS**  cis65136.543.4-69.3-157-90.600113
905D38.5Very low41.4Very low123 Ų123151.8 Ų151.866%0.65875%0.752SS**  cis-145.5165.2-11.2-72.6-48.5000107.2
906E45.7Very low41.3Very low202 Ų202151.2 Ų151.294%0.94475%0.749SS**  -172.7142.2129.7-107.3172.1164.200111.6
907E42.6Very low41Very low178 Ų178153.9 Ų153.983%0.83276%0.757SS**  trans-128.5141.1178.4-111.5-167.4121.300110.1
908V39.5Very low40.8Very low124 Ų124154.8 Ų154.875%0.75276%0.755SS**  trans48.5114.2149.2-175.90000118.7
909K44.9Very low40.3Very low169 Ų169153 Ų15374%0.73576%0.756SS**  -159.5136127.5-127.9173.2166.2-74.70113.4E911K909-E911 IonicContact NZ-OE2 2.6Å; K909-E911 PolarHBondContact NZ-OE2 3.19Å
910E40Very low40.1Very low179 Ų179151.9 Ų151.984%0.83675%0.75SS**  trans-82.2139.3158.2-64.6168.7107.700109.6
911E42.8Very low39.8Very low152 Ų152149.5 Ų149.571%0.7174%0.742SS**  trans-178.2109.3149.7-100.1167.1123.500105.2K909K909-E911 IonicContact NZ-OE2 2.6Å; K909-E911 PolarHBondContact NZ-OE2 3.19Å
912T33.6Very low39.4Very low113 Ų113149.2 Ų149.269%0.69374%0.738SS**  93.6159.590.5-53.80000111.7
913D38.8Very low38.3Very low135 Ų135149 Ų14972%0.72274%0.743SS**  trans66.5112.3179.7-54.5-39.7000115.2
914Q32Very low38.2Very low179 Ų179151.4 Ų151.484%0.83675%0.746SS**  71.4138.763.8-67-16225.400115.2
915E32.8Very low38.3Very low176 Ų176152.5 Ų152.582%0.82275%0.751SS**  trans63.797.2153.8-165.5165.7-12700119.1
916E42.8Very low38.2Very low147 Ų147154 Ų15469%0.68775%0.754SS**  -158.9126.3121.3-115.9-168.2149.600113.4K918E916-K918 WeakPolarHBondContact OE1-CE 3.46Å; E916-K918 IonicContact OE1-NZ 2.6Å; E916-K918 PolarHBondContact OE1-NZ 3.31Å
917Q38.8Very low37.9Very low190 Ų190150.1 Ų150.189%0.88874%0.744SS**  trans-91102.7158.3-80.7-174-1700109.1
918K39.8Very low37.8Very low137 Ų137146.9 Ų146.960%0.59674%0.737SS**  trans-144.7138.8162.8-84.4-173.4-176.5136.40109E916E916-K918 WeakPolarHBondContact OE1-CE 3.46Å; E916-K918 IonicContact OE1-NZ 2.6Å; E916-K918 PolarHBondContact OE1-NZ 3.31Å
919V34.8Very low38.1Very low124 Ų124147.4 Ų147.475%0.75273%0.731SS**  cis71.4144.139.4-176.40000111.4
920E36.7Very low38.1Very low159 Ų159147.2 Ų147.274%0.74373%0.73SS**  trans67.3144.7178.9-77.4164.7164.300115.2
921E36.1Very low38.1Very low136 Ų136141.9 Ų141.964%0.63672%0.723SS**  cis-129.7143.1-26.3-84.6-167.2114.300108
922K35.5Very low38.2Very low166 Ų166142.9 Ų142.972%0.72273%0.728SS**  cis72112.748.1168.9-129-178.4-177.90113.4
923A32.7Very low38.7Very low75 Ų75145.5 Ų145.562%0.6273%0.732SS**  trans66.7160.2157.500000118.9
924E36.1Very low38.8Very low174 Ų174146.5 Ų146.581%0.81373%0.733SS**  trans63.8152.6166.3-71.5153.3-14100115.8
925E39.7Very low39.1Very low165 Ų165144.6 Ų144.677%0.77172%0.724SS**  cis-122140.35.6-143177.1157.400112.7
926Q37Very low39.2Very low154 Ų154141.6 Ų141.672%0.7272%0.717SS**  trans-36.7142.1147.9-55158.838.200111.9
927T39.3Very low39.1Very low120 Ų120141.6 Ų141.674%0.73672%0.722SS**  trans-160.1120.3135.919.30000108.7
928T39.5Very low39Very low111 Ų111136.9 Ų136.968%0.68172%0.716SS**  78.9119.272.8-68.20000110
929E46.9Very low39.2Very low135 Ų135138.2 Ų138.263%0.63173%0.73SS**  cis-164.5161.417.9-132.7-179.7-168.600116
930K43.8Very low39.6Very low164 Ų164141 Ų14171%0.71373%0.731SS**  trans49.9150.4142.8-85168.3-157.4146.50123.3
931G41.6Very low40.2Very low68 Ų68138.7 Ų138.770%0.70173%0.73SS**  trans13848.4156.200000114.4
932E45.1Very low40.6Very low172 Ų172140.1 Ų140.180%0.80474%0.737SS**  89.3141.991.2-81.4-168.4151.500115.5
933E42.5Very low41.3Very low169 Ų169140.4 Ų140.479%0.7974%0.741SS**  trans52.394.4161.5-61.2-163.4151.300121.7
934E40.4Very low42Very low156 Ų156143 Ų14373%0.72974%0.74SS**  61.7148.7110.5-92.3-149.4104.800124.3
935Q39.2Very low42.5Very low139 Ų139142.2 Ų142.265%0.6573%0.734SS**  trans79.493146.5-74172.637.900122.4
936T35.9Very low42.6Very low112 Ų112139.4 Ų139.469%0.68773%0.728SS**  84.7132.6120.462.40000123
937N39.9Very low42.6Very low148 Ų148137.8 Ų137.879%0.79173%0.729SS**  trans70.6113.3141.7-63.5-26.5000120.7
938A37.1Very low42.8Very low91 Ų91140.2 Ų140.275%0.75273%0.732SS**  36.5124.9127.600000120.2
939D43.1Very low43Very low165 Ų165141.5 Ų141.588%0.88273%0.73SS**  -160.1171.491.5-126.4-32.1000113
940K43.1Very low42.8Very low181 Ų181142.2 Ų142.279%0.78774%0.737SS**  trans-134.3128.2176.5-178.9-177.3-177.7177.50112
941P50Low42.4Very low111 Ų111140.4 Ų140.472%0.72173%0.73SS**  trans-117.4143.3145.82.519.8000110.1
942E44.1Very low42.3Very low167 Ų167144.8 Ų144.878%0.7874%0.737SS**  cis89.7153.545.2-72.7-162.8127.200114.4
943E49.7Very low42.1Very low172 Ų172142.7 Ų142.780%0.80474%0.736SS**  trans73.2147.8170.2-62.1-165.7163.200118
944E47.4Very low42.6Very low129 Ų129139.9 Ų139.960%0.60373%0.732SS**  cis-159.7158.6-14-92.6-109.4152.300107.5
945K47.2Very low42.8Very low157 Ų157140.7 Ų140.768%0.68374%0.736SS**  cis176.8176.3-25.9-149.5157.8-175.4174.20109.8
946V40.8Very low42.9Very low106 Ų106141.3 Ų141.364%0.64274%0.739SS**  trans71.5127164.5-178.60000115.3
947T37.9Very low43.2Very low121 Ų121142.3 Ų142.374%0.74274%0.736SS**  cis94.3160.720.377.10000117.8
948E44Very low43.5Very low170 Ų170142 Ų14279%0.79473%0.731SS**  trans78.2105.9-174.8-56.1-169.9119.400114.2
949E42.6Very low43.9Very low138 Ų138144.2 Ų144.265%0.64573%0.726SS**  65.7121.873.3-75-135.2110.900114.6K951E949-K951 IonicContact OE1-NZ 2.72Å; E949-K951 PolarHBondContact OE1-NZ 2.94Å; E949-K951 IonicContact OE2-NZ 2.65Å; E949-K951 PolarHBondContact OE2-NZ 3.35Å
950L43.3Very low44.1Very low150 Ų150143.7 Ų143.779%0.78572%0.716SS**  -178.1103.4114.3-96.8164000114.2
951K35.3Very low44.1Very low126 Ų126142.4 Ų142.455%0.54871%0.713SS.*  trans13.8131.6133.5-49.4173.4-17869.90118.1E949E949-K951 IonicContact OE1-NZ 2.72Å; E949-K951 PolarHBondContact OE1-NZ 2.94Å; E949-K951 IonicContact OE2-NZ 2.65Å; E949-K951 PolarHBondContact OE2-NZ 3.35Å
952N40.6Very low43.9Very low161 Ų161143.5 Ų143.586%0.86171%0.713SS**  -179.5133.7113.9-86-29.7000113.5
953T41Very low43.9Very low128 Ų128143 Ų14379%0.78571%0.711SS**  trans-90.9155.4163.6-26.70000110.1
954P52.2Low43.5Very low109 Ų109140.9 Ų140.971%0.70871%0.705SS**  -132.9139.7119.435.5-26000111.3
955E43.7Very low43.2Very low173 Ų173141.8 Ų141.881%0.80871%0.714SS**  7210766.2-87.7-174.6155.600114.9
956E42.1Very low42.8Very low153 Ų153137.8 Ų137.872%0.71572%0.717SS**  68119.7125.5-143.1-163.2-131.200119.9
957Q41.9Very low43.2Very low133 Ų133140 Ų14062%0.62172%0.72SS**  164.6133105-87.3-178.715.700114.7
958M45.5Very low43.4Very low140 Ų140143.7 Ų143.769%0.6973%0.726SS**  trans58.4150.7139.2-58.9174.2-169.200120.2
959E46.1Very low43.1Very low139 Ų139144.6 Ų144.665%0.6573%0.73SS**  cis179.4151.3-12.9-105.2178.9-174.300106.4
960K47.3Very low43.1Very low154 Ų154143.5 Ų143.567%0.6774%0.735SS**  trans101.3144.1167.6-64.4153.5-161.476.20114.7
961E43.7Very low42.7Very low154 Ų154140.6 Ų140.672%0.7273%0.733SS**  cis143148.9-10-100.8-179.7146.200105.6
962N44.8Very low42.7Very low134 Ų134143.6 Ų143.672%0.71775%0.749SS**  trans75.7153.4176.6-35.5-67.3000115.3
963E44.9Very low42.8Very low157 Ų157145.4 Ų145.473%0.73475%0.752SS**  cis-176.7130.8-42.8-113.8173.6176.300110.3Q638Q638-E963 PolarHBondContact NE2-O 3.3Å
964D41Very low42.9Very low127 Ų127148.2 Ų148.268%0.67976%0.756SS**  trans72.1132.1152.5-94.21.6000124Q638Q638-D964 PolarHBondContact NE2-O 3.48Å
965D42Very low42.3Very low148 Ų148150.4 Ų150.479%0.79176%0.762SS**  trans46.4117.7146.8-78.6-8.2000122.7
966G39Very low42.3Very low73 Ų73148.4 Ų148.475%0.75376%0.761SS**  146.955.9107.800000123.9
967E48.1Very low42.5Very low153 Ų153146.4 Ų146.472%0.71576%0.755SS**  trans-132.6137.1157.5-65.5-170.6100.600109.3E636E636-E967 PolarHBondContact N-OE2 3.39Å
968K43.2Very low42.7Very low197 Ų197146.1 Ų146.186%0.85776%0.763SS**  cis86.989.240.2-78.2-159.6167.1-166.40116.4
969Q36.5Very low43.1Very low189 Ų189147.9 Ų147.988%0.88377%0.769SS**  trans-19.4162150.2-78.5-174.1-38.100118.7
970P41.9Very low43.2Very low116 Ų116143.6 Ų143.675%0.75376%0.757SS**  cis-139.1-175.420.541.3-23.1000117.9
971A36.2Very low43.4Very low88 Ų88139.6 Ų139.673%0.72775%0.753SS**  trans93.2145.8148.800000120.6
972Q34.1Very low43.8Very low189 Ų189139.5 Ų139.588%0.88375%0.753SS**  trans51.3103.1164.8-69.2178.2-35.400119.2
973E43.5Very low44.3Very low199 Ų199140.8 Ų140.893%0.9375%0.754SS**  trans172.7123.8132.6-101.4174.8-159.400110.5
974E43Very low44.9Very low188 Ų188139.1 Ų139.188%0.87975%0.746SS**  trans-161.6103.6130.8-167156.5-135.300108
975N40.4Very low45.9Very low155 Ų155140.5 Ų140.583%0.82975%0.746SS**  trans-134.762.2-175.4-170.113.2000109.8
976V43.7Very low47Very low131 Ų131140.7 Ų140.779%0.79474%0.74SS**  trans-145.8105-174.4-174.40000110.7
977N45Very low48.2Very low110 Ų110144.4 Ų144.459%0.58874%0.738SS**  trans-176.562.4130.3-167.510.8000112.1E979 A980N977-E979 VanDerWaalsContact C-N 3.28Å; N977-E979 PolarHBondContact O-N 3.19Å; N977-A980 VanDerWaalsContact ND2-CB 3.31Å; N977-A980 WeakPolarHBondContact ND2-CB 3.38Å; N977-A980 PolarHBondContact OD1-N 3.49Å
978V46.6Very low48.6Very low128 Ų128143.8 Ų143.878%0.77674%0.735SS**THydrogen-bonded Turntrans-76.5-15.6178.2-178.90000112.4
979E53.3Low49.4Very low177 Ų177141.2 Ų141.283%0.82773%0.726SS**THydrogen-bonded Turntrans-82.1-20.6-175.9-120.1174.2158.200114.2N977N977-E979 VanDerWaalsContact C-N 3.28Å; N977-E979 PolarHBondContact O-N 3.19Å
980A49.5Very low50.9Low48 Ų48138.8 Ų138.840%0.39771%0.713SS.*THydrogen-bonded Turntrans-82.8-33.4177.900000113.9N977 Q982 E983N977-A980 VanDerWaalsContact ND2-CB 3.31Å; N977-A980 WeakPolarHBondContact ND2-CB 3.38Å; N977-A980 PolarHBondContact OD1-N 3.49Å; A980-Q982 PolarHBondContact O-N 2.9Å; A980-E983 PolarHBondContact O-N 3.14Å
981A52.2Low52.1Low70 Ų70138.5 Ų138.558%0.57971%0.705SS**Hα-helixtrans-71-10.2-176.900000113.9
982Q50.5Low53.3Low153 Ų153141.6 Ų141.672%0.71570%0.704SS**Hα-helixtrans-96.1-8.5-179.7-141.4177.53400113.7A980A980-Q982 PolarHBondContact O-N 2.9Å
983E56.2Low54.7Low161 Ų161139.2 Ų139.275%0.75269%0.693SS**Hα-helixtrans-93.2-39.8175.1-158.4160.6-140.600111.1A980 K985 K986A980-E983 PolarHBondContact O-N 3.14Å; E983-K985 PolarHBondContact O-N 3.26Å; E983-K986 WeakPolarHBondContact O-CB 3.43Å; E983-K986 PolarHBondContact O-N 3.3Å
984E57.7Low55.5Low122 Ų122137.5 Ų137.557%0.5769%0.685SS**Hα-helixtrans-63.6-36.1177.2-165.1167-158.500112.7K986 E987 Q988E984-K986 PolarHBondContact O-N 3.29Å; E984-E987 PolarHBondContact O-N 3.31Å; E984-Q988 PolarHBondContact O-N 3.45Å
985K61.9Low56Low156 Ų156135.7 Ų135.768%0.67868%0.677SS**Hα-helixtrans-58.5-30.3171.6-91-162.6170.3-165.90113.4E983 E987 E989E983-K985 PolarHBondContact O-N 3.26Å; K985-E987 VanDerWaalsContact C-N 3.34Å; K985-E989 WeakPolarHBondContact O-CB 3.41Å; K985-E989 PolarHBondContact O-N 2.72Å; K985-E989 VanDerWaalsContact O-N 3.16Å
986K65.1Low56.8Low152 Ų152132 Ų13266%0.66167%0.667SS**Hα-helixtrans-83.8-6.1-178.9-98.2176.2177.2166.50114.8E983 E984E983-K986 WeakPolarHBondContact O-CB 3.43Å; E983-K986 PolarHBondContact O-N 3.3Å; E984-K986 PolarHBondContact O-N 3.29Å
987E63Low57.5Low150 Ų150134.2 Ų134.270%0.70167%0.669SS**Hα-helixtrans-96.4-38.7170.4-155.7154-146.400110E984 K985 K990E984-E987 PolarHBondContact O-N 3.31Å; K985-E987 VanDerWaalsContact C-N 3.34Å; E987-K990 PolarHBondContact O-N 3.35Å
988Q56.2Low57.9Low141 Ų141137.6 Ų137.666%0.65968%0.681SS**Hα-helixtrans-63.7-43.5172.5-90.8-172.6-33.100114.4E984 K990 D991E984-Q988 PolarHBondContact O-N 3.45Å; Q988-K990 PolarHBondContact O-N 3.34Å; Q988-D991 PolarHBondContact O-N 3.2Å
989E61.4Low58Low142 Ų142138 Ų13866%0.66468%0.683SS**Hα-helixtrans-58.8-13.5179.4-170.3172.5-143.100113.1K985K985-E989 WeakPolarHBondContact O-CB 3.41Å; K985-E989 PolarHBondContact O-N 2.72Å; K985-E989 VanDerWaalsContact O-N 3.16Å
990K68.1Low57.6Low139 Ų139132.7 Ų132.760%0.60468%0.677SS**Hα-helixtrans-100.4-32.9-175.4-136.3174.5-173.7178.40114.6E987 Q988 E992 E993 E994E987-K990 PolarHBondContact O-N 3.35Å; Q988-K990 PolarHBondContact O-N 3.34Å; K990-E992 VanDerWaalsContact C-N 3.27Å; K990-E992 PolarHBondContact O-N 3.49Å; K990-E993 PolarHBondContact O-N 3.47Å; K990-E994 PolarHBondContact O-N 2.85Å
991D67.1Low57.8Low109 Ų109139.6 Ų139.658%0.58370%0.698SS**Hα-helixtrans-74.4-17.9177-876.7000112.4Q988 Q995Q988-D991 PolarHBondContact O-N 3.2Å; D991-Q995 PolarHBondContact O-NE2 2.87Å
992E60.6Low57.4Low153 Ų153142.5 Ų142.572%0.71571%0.711SS**THydrogen-bonded Turntrans-85.6-31.2170.6-65.4-163.9128.900112.6K990 Q995 A996K990-E992 VanDerWaalsContact C-N 3.27Å; K990-E992 PolarHBondContact O-N 3.49Å; E992-Q995 PolarHBondContact O-N 3.05Å; E992-A996 PolarHBondContact O-N 3.02Å
993E63.7Low57.5Low140 Ų140144 Ų14465%0.65472%0.718SS**Hα-helixtrans-66.3-44.6174.9-164.9176.5-154.600111.4K990 Q995 A996K990-E993 PolarHBondContact O-N 3.47Å; E993-Q995 PolarHBondContact O-N 3.48Å; E993-A996 PolarHBondContact O-N 3.03Å; E993-A996 VanDerWaalsContact O-N 3.14Å
994E59.5Low56.7Low163 Ų163145.1 Ų145.176%0.76272%0.723SS**Hα-helixtrans-65.7-21.8175.1-82.5-160.7160.900113.7K990K990-E994 PolarHBondContact O-N 2.85Å
995Q55.2Low55.8Low150 Ų150148.7 Ų148.770%0.70173%0.731SS**Hα-helixtrans-86.6-9.7175.2-78.117889.600113.9D991 E992 E993D991-Q995 PolarHBondContact O-NE2 2.87Å; E992-Q995 PolarHBondContact O-N 3.05Å; E993-Q995 PolarHBondContact O-N 3.48Å
996A57.2Low55Low76 Ų76147.2 Ų147.263%0.62873%0.727SS**Hα-helixtrans-84.3-32.217800000113.5E992 E993E992-A996 PolarHBondContact O-N 3.02Å; E993-A996 PolarHBondContact O-N 3.03Å; E993-A996 VanDerWaalsContact O-N 3.14Å
997E58.5Low53.8Low178 Ų178148.6 Ų148.683%0.83274%0.736SS**G310 helixtrans-79-19.9-175.2-73.9-153121.100115.1V999E997-V999 VanDerWaalsContact C-N 3.29Å; E997-V999 PolarHBondContact O-N 3.04Å
998E52Low52.9Low182 Ų182150.3 Ų150.385%0.8574%0.744SS**G310 helixtrans-78.50.6-171-139.9-164.4159.300115.4
999V50.2Low52.5Low135 Ų135148.9 Ų148.982%0.81875%0.747SS**G310 helixtrans-114.538.3-173.4-158.70000113.1E997E997-V999 VanDerWaalsContact C-N 3.29Å; E997-V999 PolarHBondContact O-N 3.04Å
1000G43.2Very low51.4Low67 Ų67150.7 Ų150.769%0.69176%0.755SS**  trans-110.259.5-170.400000117.5
1001K54.1Low50.2Low193 Ų193151.9 Ų151.984%0.83977%0.768SS**  trans-165.1116.2162-119.6166.1-168.7172.80116.6
1002P43.7Very low49Very low130 Ų130155.8 Ų155.884%0.84478%0.78SS**  trans-91.1133.3159.134-28.6000110.6
1003E52.5Low48.2Very low185 Ų185154.2 Ų154.286%0.86478%0.782SS**  trans-136.2117.1167.9-164.1162.6-167.100108.5
1004E40.8Very low46.9Very low185 Ų185152.4 Ų152.486%0.86479%0.791SS**  trans-71.9164.5179.3-54.6-179.5124.500111.3
1005R38.8Very low45.9Very low197 Ų197148.3 Ų148.374%0.74379%0.793SS**  140.6130.4124.1-169172.8-172.4102.218.4116.4
1006E43.6Very low45Very low125 Ų125150.9 Ų150.958%0.58481%0.805SS**  trans66115153.9-73.7161.6174.200123.1
1007E41.6Very low44.1Very low181 Ų181152.7 Ų152.785%0.84681%0.808SS**  78.9135.1127.4-62.8-175.1154.400123.5
1008E43.1Very low43.2Very low186 Ų186150.9 Ų150.987%0.86980%0.8SS**  trans-64.1168.7163.4-97.8-171.4136.300112.5
1009P47.5Very low42.6Very low111 Ų111151.4 Ų151.472%0.72180%0.8SS**  cis-146.8-163.435.443.5-21.9000117.1
1010E39.4Very low42.3Very low180 Ų180153.3 Ų153.384%0.84180%0.799SS**  trans-22.5133.1167.4-51.7178.3119.900117.9
1011D41.2Very low42.1Very low163 Ų163154.7 Ų154.787%0.87280%0.795SS**  -166.6165.1117.7-133-32000113.7
1012K43.4Very low41.4Very low192 Ų192152.8 Ų152.884%0.83579%0.794SS**  trans-113139.1172.8-72.5-178.2-179.3175.80112.5
1013P43.7Very low41.2Very low119 Ų119150.4 Ų150.477%0.77379%0.785SS**  trans-121.9135.8132.4-0.522.3000110.6
1014A36.3Very low40.6Very low102 Ų102150.1 Ų150.184%0.84378%0.784SS**  67.5120.376.200000112.7
1015G37.9Very low40.5Very low77 Ų77150.2 Ų150.279%0.79478%0.784SS**  trans-127.3171.4175.400000111
1016E37Very low40.6Very low204 Ų204150 Ų15095%0.95379%0.788SS**  trans-125145.7-176.6-66.4-173.6133.400112
1017T37.4Very low40.9Very low114 Ų114150.2 Ų150.270%0.69980%0.801SS**  trans-116.8146.5175.454.70000109.1
1018E39.6Very low40.7Very low141 Ų141145.9 Ų145.966%0.65980%0.796SS**  trans-128.2155.5156.3-71.9-165.9174.500111.1E264E264-E1018 HydrophobicContact CG-CG 4.4Å
1019K40.4Very low40.6Very low193 Ų193145 Ų14584%0.83980%0.798SS**  trans-139.1147.8179.3-57.6168.4-1781650108.2
1020E43.2Very low40.5Very low174 Ų174146.8 Ų146.881%0.81380%0.796SS**  trans-169.5167.6149.9-90.2-1239900110.2
1021T38.7Very low40.8Very low96 Ų96143.6 Ų143.659%0.58979%0.791SS**  -161.1154.2-6041.40000108.1
1022N38.9Very low40.9Very low153 Ų153141.3 Ų141.382%0.81878%0.775SS**  trans158.5120.4145.7-92.2-76000108.2
1023A40.3Very low40.9Very low81 Ų81138 Ų13867%0.66976%0.761SS**  87145.361.100000112.5
1024E38.8Very low40.8Very low178 Ų178136.1 Ų136.183%0.83274%0.742SS**  cis-172.2126.5-13.1164.8-175.1178.300107.6
1025E40Very low41.1Very low188 Ų188136.7 Ų136.788%0.87973%0.731SS**  trans-174.5138.9141.3-109.2-177.3143.200111.8
1026K41.1Very low41.2Very low191 Ų191137.1 Ų137.183%0.8373%0.726SS**  trans-121.1163.1159.7-72.4-171.1177.7-176.30107.6
1027P48.9Very low41.7Very low130 Ų130132.5 Ų132.584%0.84472%0.717SS**  -134.9157.799.737.2-28.7000113.4
1028A38Very low42Very low91 Ų91136.2 Ų136.275%0.75273%0.726SS**  trans-99.2155.7161.200000108.9
1029D40Very low41.9Very low168 Ų168133.1 Ų133.190%0.89873%0.732SS**  trans-150.6157.1156.8-130.4-26.7000112.3
1030E45.7Very low41.8Very low148 Ų148133 Ų13369%0.69273%0.734SS**  trans-76.6-172.5-169.8-98.3175.3-162.300114.3
1031P47Very low41.8Very low112 Ų112131.5 Ų131.573%0.72773%0.727SS**  cis-139.916013.823.33.6000120
1032E43.2Very low41.8Very low115 Ų115135 Ų13554%0.53773%0.734SS.*  12.5155.2117.7-48.7-155.2155.900121.2
1033K43.8Very low41.7Very low123 Ų123135.2 Ų135.254%0.53573%0.728SS.*  cis-172.8-178-14.2-98.6172.9-165.4148.50106.1
1034E40.3Very low41.5Very low80 Ų80138.4 Ų138.437%0.37473%0.729SS.*  150.6113.1115.7-87.3147.6159.600117.8T449 P450 A451T449-E1034 WeakPolarHBondContact CA-OE1 3.42Å; T449-E1034 WeakPolarHBondContact CB-OE1 3.46Å; T449-E1034 HydrophobicContact CG2-CG 4.11Å; T449-E1034 WeakPolarHBondContact CG2-OE1 2.99Å; P450-E1034 VanDerWaalsContact CA-OE1 3.27Å; P450-E1034 WeakPolarHBondContact CA-OE1 3.37Å; P450-E1034 WeakPolarHBondContact CA-OE2 3.3Å; P450-E1034 HydrophobicContact CB-CB 3.86Å; P450-E1034 HydrophobicContact CB-CG 3.82Å; P450-E1034 WeakPolarHBondContact CB-OE2 3.18Å; A451-E1034 PolarHBondContact N-OE2 3.15Å
1035N42.5Very low41.4Very low114 Ų114139.1 Ų139.161%0.6173%0.732SS**  54.4141.8120.7-62.4-1.8000122.2T449T449-N1035 PolarHBondContact OG1-ND2 2.73Å
1036A40.6Very low41.2Very low85 Ų85136.7 Ų136.770%0.70273%0.725SS**  cis-174160.6-10.600000110.2
1037S47.9Very low40.9Very low107 Ų107134.4 Ų134.475%0.74872%0.722SS**  158.5120.2124.667.30000113.8
1038E42.2Very low40.3Very low193 Ų193136.5 Ų136.590%0.90272%0.721SS**  trans12.8118.5146.5-55.6172.5112.900117.6
1039G38.6Very low40.3Very low75 Ų75139.5 Ų139.577%0.77372%0.719SS**  cis104.7121.740.700000111.2
1040Q38.8Very low40.3Very low192 Ų192138.4 Ų138.490%0.89771%0.712SS**  trans-153.2173.6151.8-123.5-179.7-19.800112.1
1041E42.7Very low40Very low142 Ų142139.8 Ų139.866%0.66472%0.719SS**  trans-79.3136.7-150.3-61.1-176.984.300117.1
1042K38.6Very low39.7Very low168 Ų168140.5 Ų140.573%0.7372%0.717SS**  trans52.6116.2130.1-60.6169.4-171.5148.80120.6
1043K36.4Very low39.9Very low158 Ų158143.4 Ų143.469%0.68773%0.73SS**  80.1131.3115.5-167171.5-171.3-85.90119.2
1044E36Very low39.7Very low148 Ų148144.1 Ų144.169%0.69274%0.736SS**  trans67.883.8161-76.2160.2169.900119.2
1045E37.5Very low39.8Very low193 Ų193148 Ų14890%0.90275%0.751SS**  trans-174.6120.3141.6-99.1157.1-164.200103.7
1046N35.2Very low39.6Very low138 Ų138149.9 Ų149.974%0.73877%0.767SS**  cis87.7105.736.3-155.795.6000113.8
1047D34.3Very low39.8Very low143 Ų143153.3 Ų153.377%0.76577%0.773SS**  trans67167.2166.1-76-51.9000121.1
1048E37.7Very low39.6Very low173 Ų173155.5 Ų155.581%0.80877%0.772SS**  trans75.8109.3162.9-68.8-176.5159.400122.5
1049E38.2Very low39.6Very low155 Ų155151.2 Ų151.272%0.72476%0.759SS**  78.7124.7122.9-66.3-154.2141.200125.3
1050L38.6Very low39.9Very low144 Ų144155.4 Ų155.475%0.75476%0.756SS**  49.5113.9124.7-54.6174.9000121.9
1051E39.5Very low40.2Very low177 Ų177152.3 Ų152.383%0.82775%0.746SS**  trans-150.4144.8142.9-82.3-140.8118.200109
1052N42Very low40Very low127 Ų127150.7 Ų150.768%0.67975%0.75SS**  cis-163.4-177.6-19.6-130.8-36.5000110.4
1053E45.8Very low40.1Very low177 Ų177146.3 Ų146.383%0.82775%0.752SS**  trans74.6128.7170.7-54.3-162.4154.100117.1
1054E40.4Very low40.2Very low138 Ų138147 Ų14765%0.64576%0.755SS**  cis-159.1158.1-2.2-144.2-156.6124.500113.1
1055K42.7Very low40.3Very low161 Ų161144.8 Ų144.870%0.775%0.748SS**  trans72.792.7161.8-53.9-177.1-17669.20120.4
1056T38.8Very low40.3Very low154 Ų154142.6 Ų142.695%0.94574%0.738SS**  -133.2147.5123.527.20000109.3
1057D44.7Very low40.4Very low156 Ų156142.5 Ų142.583%0.83473%0.733SS**  trans-117.7164.8-167.2-154-10.2000112.8
1058E44Very low40.4Very low153 Ų153144 Ų14472%0.71573%0.733SS**  trans53.990.9167.3-62.1-145.5113.600120.5
1059T41.4Very low40.5Very low104 Ų104139.8 Ų139.864%0.63872%0.722SS**  48.3148125.1750000121.7
1060K44.6Very low40.4Very low162 Ų162140 Ų14070%0.70472%0.723SS**  cis-174.6163.138.8-149.2172.3-110.585.50112.1
1061D44.3Very low40.6Very low128 Ų128139 Ų13968%0.68472%0.719SS**  trans39.998.8157.8-80-49.6000118.3
1062S38.8Very low40.7Very low108 Ų108137.3 Ų137.376%0.75571%0.709SS**  73.5130.971.687.60000113.9
1063G41.4Very low40.8Very low75 Ų75137.4 Ų137.477%0.77371%0.705SS**  trans-159.1-20.1-164.200000121.5
1064K39.4Very low40.8Very low173 Ų173137 Ų13775%0.75270%0.704SS**  trans62.1145.5163.7-104-173.5154.5-71.40120.8
1065D37.9Very low40.9Very low101 Ų101134.1 Ų134.154%0.5470%0.703SS.*  trans75.1118.4137.1-67.2-5.4000122.8
1066E37.6Very low40.9Very low147 Ų147133 Ų13369%0.68771%0.705SS**  74.6122.8122.3-66.3-159.2104.100121.9
1067Q36Very low41Very low136 Ų136133.9 Ų133.964%0.63670%0.698SS**  trans67104130.4-67.3-166.451.600119.5
1068K33.8Very low40.8Very low174 Ų174136.3 Ų136.376%0.75771%0.705SS**  78.7148.9104.2-167.5-165.3-179.11780117.9
1069S41.3Very low40.5Very low85 Ų85132.4 Ų132.459%0.59471%0.705SS**  trans9398.1160.8-26.30000116.2
1070Q35.9Very low40.6Very low159 Ų159133.8 Ų133.874%0.74372%0.716SS**  69.5133.3116.3-74.8-172.6-102.400121.2
1071D41.5Very low40Very low125 Ų125135.1 Ų135.167%0.66873%0.725SS**  trans70.7140.5144.4-53.1-7.8000116
1072K42.7Very low39.7Very low141 Ų141137.7 Ų137.761%0.61373%0.732SS**  cis-169154.55.3-130.6165.3137.2-102.90110.4
1073E42.9Very low40Very low129 Ų129137.8 Ų137.860%0.60373%0.731SS**  trans61.6154.6155.9-68.2154.4154.100116.5
1074E47.7Very low39.6Very low169 Ų169138.3 Ų138.379%0.7973%0.727SS**  cis-171160.9-12.6-102.9167.3166.200104.4
1075A42.1Very low39.3Very low76 Ų76138.7 Ų138.763%0.62873%0.729SS**  cis-172.2179.3-21.200000107.4
1076N42.8Very low39.1Very low138 Ų138142.2 Ų142.274%0.73874%0.742SS**  trans72.4138.7179.7-57.524.9000114.5
1077E41.1Very low39Very low173 Ų173143.1 Ų143.181%0.80875%0.746SS**  cis-144.3129.75.6-127.4149.6-128.900109.9
1078E39.7Very low38.9Very low207 Ų207143.3 Ų143.397%0.96775%0.747SS**  trans-135.8149.4174.2-78.7-173.7137.200109.5
1079G36.9Very low39Very low71 Ų71143.8 Ų143.873%0.73274%0.744SS**  trans-134.4145.6173.900000110.8
1080P43.9Very low38.9Very low132 Ų132146.5 Ų146.586%0.85775%0.748SS**  trans-123.4177.5-137.440.5-27.5000115.9
1081Q33.4Very low39.1Very low191 Ų191146.1 Ų146.189%0.89374%0.744SS**  trans-72.5179169.2-59.1173.6-82.400112.9
1082E37.9Very low39.1Very low181 Ų181147.5 Ų147.585%0.84675%0.75SS**  trans-51.4-177.6163.3-45.1-172.8117.600113.8
1083P45Very low38.8Very low111 Ų111143.9 Ų143.972%0.72175%0.753SS**  cis-148.8177.311.245.2-25.4000119.7
1084A31.5Very low38.6Very low85 Ų85144.8 Ų144.870%0.70276%0.762SS**  trans71.4152.3141.100000122.6
1085K34.6Very low38.3Very low182 Ų182143.8 Ų143.879%0.79176%0.755SS**  trans83.8125.7168.7-63.7171.2-176.4173.50115.8
1086E33.4Very low38.1Very low174 Ų174142.4 Ų142.481%0.81374%0.737SS**  cis87.1146.544.8-171.3-177-15100112.5
1087E35.7Very low38.1Very low166 Ų166140.2 Ų140.278%0.77672%0.722SS**  trans74.1123.1-172.5-74.9-166.6106.900118.4
1088E34Very low38Very low140 Ų140135.9 Ų135.965%0.65470%0.704SS**  trans-11.2142153.5-35.9177.1138.800118.7
1089R34.8Very low38Very low184 Ų184128.7 Ų128.769%0.69468%0.681SS**  173.9145.494.4-102.9168-156.4154.917.6115.9
1090E38.6Very low38Very low142 Ų142130 Ų13066%0.66468%0.675SS**  trans62.8144.3146.3-65.3-174.3117.100119.1
1091K40.7Very low38.2Very low151 Ų151128.6 Ų128.666%0.65767%0.665SS**  cis-172.3157.4-19.1-114.4170.7-167.8160.60106.6
1092L41.1Very low38.6Very low155 Ų155127.3 Ų127.381%0.81266%0.657SS**  trans32.7126.3143.6-51.3167000118.4
1093G36.4Very low38.8Very low64 Ų64125 Ų12566%0.6665%0.646SS**  cis128.8178.819.200000110.9
1094N40.4Very low39Very low148 Ų148125 Ų12579%0.79164%0.64SS**  trans79.4134.7174.2-59.94.3000116
1095K40.5Very low39.7Very low148 Ų148129.1 Ų129.164%0.64365%0.645SS**  cis82.8148.946.9-79.6-174.9141.2-82.20112.8E1097K1095-E1097 IonicContact NZ-OE1 2.72Å; K1095-E1097 PolarHBondContact NZ-OE1 2.96Å
1096D37.8Very low40.3Very low47 Ų47125.7 Ų125.725%0.25164%0.644SS.*  cis-141.8-117.915.5-119.5-11.9000120.8A325A325-D1096 PolarHBondContact N-OD2 2.97Å; A325-D1096 VanDerWaalsContact O-CB 3.26Å; A325-D1096 WeakPolarHBondContact O-CB 3.36Å
1097E42Very low40.9Very low93 Ų93120.1 Ų120.144%0.43563%0.633SS.*  trans-135.3119.9-137.1-73.5149.4171.700118.9E326 K1095E326-E1097 VanDerWaalsContact CA-N 3.33Å; E326-E1097 VanDerWaalsContact CA-O 3.31Å; E326-E1097 WeakPolarHBondContact CA-O 3.16Å; E326-E1097 WeakPolarHBondContact CG-O 3.4Å; K1095-E1097 IonicContact NZ-OE1 2.72Å; K1095-E1097 PolarHBondContact NZ-OE1 2.96Å
1098D39.1Very low41.3Very low81 Ų81118.7 Ų118.743%0.43364%0.636SS.*  trans67.6163.5162.1-99.9-57.8000118.9E327 K328E327-D1098 CarbonylContact C-O 3.43Å; E327-D1098 VanDerWaalsContact CA-O 3.23Å; E327-D1098 WeakPolarHBondContact CA-O 3.48Å; K328-D1098 HydrophobicContact CD-CB 4.49Å; K328-D1098 WeakPolarHBondContact CD-OD1 3.28Å; K328-D1098 VanDerWaalsContact CE-CG 3.46Å; K328-D1098 WeakPolarHBondContact CE-OD1 3.4Å; K328-D1098 VanDerWaalsContact CE-OD2 3.29Å; K328-D1098 WeakPolarHBondContact CE-OD2 3.44Å; K328-D1098 VanDerWaalsContact N-C 3.34Å; K328-D1098 PolarHBondContact N-O 2.92Å; K328-D1098 IonicContact NZ-OD1 3.87Å; K328-D1098 PolarHBondContact NZ-OD1 3.44Å; K328-D1098 IonicContact NZ-OD2 3.12Å; K328-D1098 PolarHBondContact NZ-OD2 2.8Å
1099A40.2Very low41.8Very low57 Ų57118.9 Ų118.947%0.47164%0.637SS.*  cis-155.6-174.1-1.500000111.9P329P329-A1099 WeakPolarHBondContact CG-O 3.44Å
1100T38.1Very low42.4Very low98 Ų98118 Ų11860%0.60164%0.638SS**  trans-83-167.8170.862.40000111.7P329 A330P329-T1100 HydrophobicContact CB-CG2 3.95Å; P329-T1100 HydrophobicContact CG-CG2 3.88Å; A330-T1100 HydrophobicContact CB-CG2 4.41Å
1101P46.2Very low42.9Very low102 Ų102119.2 Ų119.266%0.66264%0.641SS**  cis-145.5-165.9-0.942.1-20.5000117.2
1102K42.1Very low43.3Very low165 Ų165116.8 Ų116.872%0.71764%0.635SS**  trans87135.2139.4-91.4-179.9171-123.10123.7
1103E43.4Very low43.6Very low131 Ų131117 Ų11761%0.61264%0.637SS**  trans68.7146.1140.2-77176.3-135.400119
1104N48Very low43.9Very low113 Ų113117.3 Ų117.360%0.60464%0.641SS**  cis-164.8166.117.7-123.6-27.1000112.8
1105E47.6Very low43.9Very low170 Ų170119 Ų11979%0.79464%0.644SS**  trans61.4149146.3-71.9-176.3151.800121.2
1106S46.8Very low44Very low111 Ų111117.7 Ų117.778%0.77665%0.648SS**  cis-170.7163.5-750.20000112.7
1107G44.4Very low44.3Very low57 Ų57122.2 Ų122.259%0.58867%0.672SS**  119.5104.1122.700000122.1
1108T44.4Very low44.4Very low136 Ų136121.8 Ų121.883%0.83468%0.68SS**  trans68.9144.9138.765.10000120.5
1109E44.9Very low44.6Very low144 Ų144126.6 Ų126.667%0.67370%0.7SS**  cis-156.6133.6-9.9-122.3-168.4139.400112.7
1110K47.6Very low44.5Very low166 Ų166133.1 Ų133.172%0.72272%0.717SS**  trans25.6134.3144-53.6165.4-170.11490120.7
1111K49.2Very low44.8Very low166 Ų166133.4 Ų133.472%0.72272%0.721SS**  -177.2138.286.1-98.7-162.3148.3-73.70115.9
1112D48.5Very low44.4Very low100 Ų100135.2 Ų135.254%0.53573%0.725SS.*  trans7199.5140-53.71.1000121.6
1113D48.5Very low44.3Very low160 Ų160134.2 Ų134.286%0.85672%0.723SS**  79.4112124.9-48.7-18.4000121.7
1114G42.1Very low44.2Very low71 Ų71133.6 Ų133.673%0.73272%0.72SS**  trans148.4103.9161.400000114.2
1115E41.2Very low43.8Very low184 Ų184136.1 Ų136.186%0.8673%0.725SS**  trans-54.4133.2172.4-72.113699.400111.4
1116T42.2Very low43.3Very low119 Ų119132.5 Ų132.573%0.7372%0.718SS**  66.4130.556.566.30000113.8
1117D44.7Very low42.9Very low142 Ų142132.3 Ų132.376%0.75971%0.712SS**  cis-141.2156.49.2-145.9-27.6000115
1118S44.2Very low42.6Very low85 Ų85138 Ų13859%0.59472%0.724SS**  trans64113.3149-770000123.9
1119Q42.5Very low42.3Very low182 Ų182137.8 Ų137.885%0.8572%0.722SS**  8356.2128.8-58.4-169.329.100121
1120K36.9Very low42.4Very low194 Ų194136.6 Ų136.684%0.84373%0.727SS**  -57173.6124.7-92.3-166.6172.6-168.50113.1
1121P46.1Very low41.8Very low103 Ų103132.4 Ų132.467%0.66972%0.723SS**  cis-143.2159.2-33.739.3-22000115.5
1122D37.3Very low41.2Very low140 Ų140133.9 Ų133.975%0.74973%0.733SS**  19.5141.9119.9-149.16.9000123
1123E40.4Very low40.4Very low145 Ų145132.5 Ų132.568%0.67874%0.742SS**  trans86.4141.6137.8-117.6-160.2165.400125.2
1124Q40.9Very low39.7Very low117 Ų117133.1 Ų133.155%0.54774%0.74SS.*  trans91.1113.5146.8-69.8-178.941.500123.8
1125K39.9Very low39.1Very low166 Ų166136.2 Ų136.272%0.72274%0.74SS**  trans79.7146.1131.5-69170.6-175155.20118.2
1126C36.6Very low38.6Very low94 Ų94131.5 Ų131.564%0.63573%0.732SS**  cis-158.2150.37-134.80000112.7
1127T38.5Very low38.2Very low108 Ų108131.6 Ų131.666%0.66373%0.732SS**  trans26.3138.8138.656.70000120.3
1128E38.9Very low37.8Very low177 Ų177131.9 Ų131.983%0.82773%0.729SS**  cis-163.3149.619.8-128163.9133.900111.5
1129T37.7Very low37.6Very low131 Ų131135 Ų13580%0.80473%0.734SS**  trans-73.9-178.2162.119.40000111
1130P45.9Very low37.5Very low118 Ų118132.7 Ų132.777%0.76672%0.721SS**  cis-134.2-172.42.932.6-9.9000115.1
1131A35.7Very low37.7Very low78 Ų78128.9 Ų128.965%0.64571%0.714SS**  124.6121.5123.600000117.3
1132E36.7Very low37.5Very low198 Ų198131.2 Ų131.293%0.92572%0.716SS**  trans51.1137.7135.7-58.5-179.2141.300121.3
1133G31.5Very low37.8Very low71 Ų71130.6 Ų130.673%0.73271%0.709SS**  trans122.989.8137.400000116.6
1134E33Very low37.9Very low172 Ų172131 Ų13180%0.80471%0.708SS**  27.2134.7127.5-73.5-164104.500121.6
1135N30.5Very low37.8Very low137 Ų137133.3 Ų133.373%0.73372%0.716SS**  trans77123.4140.9-74.2-48.4000120.8
1136A30.7Very low38Very low84 Ų84133 Ų13369%0.69472%0.717SS**  89.8114.3125.700000121.8
1137V34.9Very low38.1Very low121 Ų121136.5 Ų136.573%0.73372%0.724SS**  86.5142.9119.2169.50000119.7
1138E36.2Very low38.6Very low148 Ų148136 Ų13669%0.69272%0.723SS**  trans68.2153.7173.8-78.7169.8-120.100115K1140E1138-K1140 WeakPolarHBondContact OE2-CE 3.47Å; E1138-K1140 IonicContact OE2-NZ 3.77Å; E1138-K1140 PolarHBondContact OE2-NZ 2.88Å
1139E38.2Very low38.5Very low150 Ų150135.1 Ų135.170%0.70172%0.719SS**  cis-146.3113.219.9-167.4155.1-162.600109.5
1140K40.5Very low38.7Very low135 Ų135137.3 Ų137.359%0.58772%0.72SS**  93.4176.482.3-167.1-178.3-69.2155.70112.6E1138E1138-K1140 WeakPolarHBondContact OE2-CE 3.47Å; E1138-K1140 IonicContact OE2-NZ 3.77Å; E1138-K1140 PolarHBondContact OE2-NZ 2.88Å
1141V41Very low38.4Very low113 Ų113140.9 Ų140.969%0.68572%0.723SS**  trans82.5124.4166.2-178.30000115.7
1142E43.4Very low38.9Very low153 Ų153142.5 Ų142.572%0.71573%0.727SS**  cis-156.3146.7-7.9-120.7170.1-170.300112
1143E42.6Very low39.1Very low127 Ų127138.7 Ų138.759%0.59372%0.717SS**  trans36.6153.6135.7-71.8-173.1118.800123.5
1144K43.8Very low39.5Very low153 Ų153143.4 Ų143.467%0.66572%0.72SS**  cis-148.6149.114.6-106.5131.3-177.1137.60108.5
1145K38.5Very low39.7Very low166 Ų166139.3 Ų139.372%0.72272%0.716SS**  65.7133.673.9-126.4-164.4163.3-133.40112.2
1146E43.6Very low40.4Very low159 Ų159140.2 Ų140.274%0.74372%0.716SS**  cis-146.3154.336.3-58.9-167.5110.100116
1147E38.7Very low40.9Very low167 Ų167142.6 Ų142.678%0.7872%0.717SS**  trans-85.9164.5158.1-147.3-159.5124.400108.7
1148P47.9Very low41.1Very low97 Ų97141.1 Ų141.163%0.6372%0.717SS**  -160.3170.782.644.2-24.9000117.8
1149E37.8Very low41.5Very low160 Ų160138.8 Ų138.875%0.74872%0.717SS**  trans53.7155.2134-66.9165.6157.900120.8
1150E42.3Very low41.9Very low176 Ų176135.8 Ų135.882%0.82271%0.713SS**  cis-151-170.110.4-140176.7-179.900111.7
1151K38.2Very low42.2Very low193 Ų193135.8 Ų135.884%0.83972%0.719SS**  trans-109.8-154.8-176.4-46.8175.3-178.41750110.4
1152P47.6Very low42.5Very low112 Ų112138 Ų13873%0.72772%0.722SS**  cis-135.6-150.5-20.824.43.5000112.3
1153V39.8Very low42.5Very low119 Ų119136.7 Ų136.772%0.72172%0.72SS**  trans82.7137.4154.5175.30000117.3
1154E39.6Very low42.4Very low169 Ų169138 Ų13879%0.7972%0.724SS**  cis-164.9164.1-17.8-108.5177.9171.400109.2
1155A38.3Very low42.3Very low86 Ų86139.3 Ų139.371%0.71173%0.732SS**  trans63146.814900000120.5
1156E44.1Very low42.4Very low156 Ų156138.1 Ų138.173%0.72973%0.729SS**  cis-162.6146.5-9.3-117.5-168.7133.900109.7
1157N42.6Very low42.2Very low135 Ų135138.8 Ų138.872%0.72273%0.732SS**  trans53.4149.2146-55.1-28.9000120.5
1158A39.2Very low42.5Very low90 Ų90138.8 Ų138.874%0.74474%0.737SS**  cis-179.4159.9-900000106
1159S43.7Very low42.5Very low98 Ų98139.6 Ų139.669%0.68574%0.742SS**  cis-170.8-178.3-9.851.30000107.9
1160S46.9Very low42.7Very low88 Ų88141.2 Ų141.262%0.61575%0.75SS**  trans64.9131.9149.842.50000119
1161D45.8Very low42.7Very low135 Ų135141.8 Ų141.872%0.72275%0.753SS**  cis-151.6148.11.6-87.3-32.6000111.9
1162E48.3Very low43.1Very low158 Ų158137.6 Ų137.674%0.73875%0.745SS**  trans40.4148.8132.1-53.8-168.4123.600122.1
1163N43.9Very low42.7Very low126 Ų126139.4 Ų139.467%0.67475%0.748SS**  cis-160.3135.7-19-101.2-37.9000104.5
1164K39.8Very low42.7Very low156 Ų156139.1 Ų139.168%0.67875%0.747SS**  78.3151.354.6-135.9-161.1-176.7-92.70114.7E1166K1164-E1166 IonicContact NZ-OE2 2.65Å; K1164-E1166 PolarHBondContact NZ-OE2 2.6Å
1165E41.2Very low43Very low180 Ų180138.8 Ų138.884%0.84175%0.746SS**  trans76.4104-169.4-61.7-177.2106.500113
1166E41.3Very low43.3Very low141 Ų141142.6 Ų142.666%0.65975%0.751SS**  cis92.314121.2-152.5-179.7157.200114.4K1164K1164-E1166 IonicContact NZ-OE2 2.65Å; K1164-E1166 PolarHBondContact NZ-OE2 2.6Å
1167Q40.1Very low43.5Very low172 Ų172143.3 Ų143.380%0.80475%0.754SS**  trans78.6116.5-176.5-52171.13100114
1168L44.4Very low43.8Very low168 Ų168145.8 Ų145.888%0.8876%0.761SS**  68.2142.151.2-73.9172.5000114.1
1169P47.1Very low44.2Very low113 Ų113149.9 Ų149.973%0.73476%0.762SS**  -127.4165.9-117.542.1-30.8000115.8
1170E41.7Very low44.5Very low195 Ų195151.1 Ų151.191%0.91177%0.768SS**  trans-138.7153.1163.2-66.5-171.4135.800109.9
1171E44.2Very low45.1Very low188 Ų188155.7 Ų155.788%0.87978%0.78SS**  trans-92.3-155.8-179-51.8-169.9121.400112.6
1172P45.8Very low45.5Very low105 Ų105155.7 Ų155.768%0.68278%0.779SS**  -117162.6-12432.2-11.6000114.6
1173N39.2Very low45.9Very low149 Ų149156 Ų15680%0.79778%0.781SS**  trans-178.9168.5137.8-110.7-68.3000116.1
1174T40.2Very low46.2Very low113 Ų113158.3 Ų158.369%0.69379%0.788SS**  trans67.6100.9152.243.90000121.8
1175E45.9Very low46.5Very low163 Ų163155 Ų15576%0.76279%0.789SS**  69.3110.6100.9-169177.5-130.600121.3
1176M44.3Very low46.9Very low165 Ų165154.5 Ų154.581%0.81379%0.787SS**  179.8113.1128.4-101.7171-80.700109.5
1177E47Very low47.2Very low171 Ų171153.5 Ų153.580%0.79979%0.786SS**  68.1106.995.8-79.5-151.6100.800116.9
1178E49Very low47.6Very low187 Ų187150.4 Ų150.487%0.87478%0.779SS**  -158.698.8124.4-120.5-174.3167.200114.7
1179K48Very low47.8Very low177 Ų177151 Ų15177%0.7778%0.777SS**  trans40.1129.1144.9-74.2177.8174.7171.30124.5
1180P51.4Low47.6Very low123 Ų123152.3 Ų152.380%0.79978%0.778SS**  trans-101.3172.5143.538-30.9000113.6
1181E59Low48.1Very low185 Ų185148.3 Ų148.386%0.86477%0.769SS**  trans-120.2132.7168.8-67.1-173.8146.800109.1
1182N54.3Low48.1Very low134 Ų134143.5 Ų143.572%0.71776%0.756SS**  cis83.9117.443.7177.6101.3000111.9
1183E55.1Low48.1Very low165 Ų165146.2 Ų146.277%0.77176%0.757SS**  cis-108.1-153.213.6-57.2-175.6-14600110.7
1184E51.9Low48.3Very low174 Ų174145 Ų14581%0.81375%0.75SS**  cis-158.3137.48.9-164.7178.4168.300111.6
1185A46Very low48.6Very low86 Ų86148.3 Ų148.371%0.71176%0.758SS**  trans50.7121.9153.700000122
1186E49Very low48.6Very low171 Ų171149.1 Ų149.180%0.79976%0.762SS**  cis-147.3-160.53.1-54.6-171.3117.800108.7
1187N48.6Very low48.7Very low120 Ų120147.6 Ų147.664%0.64276%0.762SS**  cis-156.3-156.20.9-144.6-40.4000112.1
1188T47.3Very low48.3Very low106 Ų106144.8 Ų144.865%0.6576%0.76SS**  trans-71.2158.7178.248.70000116
1189E49.1Very low48.3Very low181 Ų181146.7 Ų146.785%0.84676%0.76SS**  cis-151.7163.55.3-132.5168.2140.700112.7
1190N41.8Very low48Very low141 Ų141145 Ų14575%0.75476%0.76SS**  trans-123.5171172.6-119.3-61.5000107.1
1191P52.7Low47.8Very low110 Ų110147.4 Ų147.471%0.71476%0.76SS**  cis-153.9151.540.841.6-19.1000120.3
1192S44.7Very low47.1Very low87 Ų87146 Ų14661%0.60876%0.757SS**  31.6134.7124.7100.60000124.3
1193K46Very low46.5Very low163 Ų163149.4 Ų149.471%0.70976%0.76SS**  98.2121.1128.6-76.6176.8160.6-81.40124.2
1194D42Very low46Very low122 Ų122146.6 Ų146.665%0.65276%0.755SS**  68.8155.8123-48.8-13000122.6
1195E48Very low45.3Very low183 Ų183147 Ų14786%0.85576%0.757SS**  trans67.3104.1-178.9-59.6-177.7171.600114.5
1196E45.9Very low45.2Very low180 Ų180149.1 Ų149.184%0.84176%0.761SS**  81.4153.267.4-169.7174.4-152.100113.5
1197V45Very low44.7Very low134 Ų134145.6 Ų145.681%0.81276%0.761SS**  trans92.7114.5175-172.60000115.8
1198C38.6Very low44.4Very low111 Ų111145.8 Ų145.875%0.7577%0.772SS**  trans-71.4147.7169.2-38.10000111.6
1199Y49.2Very low44.1Very low227 Ų227146.7 Ų146.789%0.8978%0.777SS**  -172.5147.8124.5-114.2-76.7000110.4
1200D42.2Very low44Very low142 Ų142144.9 Ų144.976%0.75978%0.778SS**  trans-65.9175.8175.3-75.7-73000114.9
1201H48.1Very low44Very low174 Ų174147 Ų14781%0.80678%0.783SS**  trans99.6139.7144.7-103.863.9000120.4
1202I43.1Very low43.3Very low154 Ų154149 Ų14979%0.7978%0.783SS**  trans86.983.5162.5-54.5153.7000117.6
1203R43.1Very low43.9Very low207 Ų207150.8 Ų150.878%0.78179%0.793SS**  41.7149.6126.6-81-170.2176.4-1700.8122.6
1204P44.1Very low43.8Very low105 Ų105150.3 Ų150.368%0.68279%0.793SS**  trans-96.1175-164.740.6-39.5000115
1205H37.8Very low43.9Very low183 Ų183150.3 Ų150.385%0.84780%0.8SS**  -178.4157.5129.9-104.2-66.6000115
1206V42.7Very low44.1Very low130 Ų130147.4 Ų147.479%0.78880%0.8SS**  trans74.2100162.1-145.70000120.9
1207A38.8Very low43.8Very low97 Ų97145.5 Ų145.580%0.80280%0.801SS**  trans20.2139.8140.200000123.6
1208S43.1Very low43.5Very low124 Ų124146 Ų14687%0.86780%0.804SS**  -150.4165.8129.2-160.30000111.5
1209T40.6Very low43.5Very low126 Ų126147.3 Ų147.377%0.77381%0.809SS**  trans-108.7132.8-163.1540000115.4
1210V45.9Very low43.4Very low143 Ų143140.7 Ų140.787%0.86780%0.801SS**  trans-14595.6155.6-174.70000106.4
1211Q42.9Very low43.5Very low184 Ų184142.7 Ų142.786%0.8681%0.806SS**  80.29871.3-172.1156.273.400113.9
1212Q38.4Very low44Very low152 Ų152140.3 Ų140.371%0.7181%0.806SS**PPolyproline II helixtrans-67.7157.7173.9-59.5171.5-6800113.2
1213P57.4Low44Very low125 Ų125141.8 Ų141.881%0.81281%0.809SS**PPolyproline II helix-91.5136.8129.833.9-27.1000110.8
1214Q43.6Very low43.9Very low153 Ų153140.3 Ų140.372%0.71582%0.816SS**PPolyproline II helixtrans-89.1156173.5-77.9-174.1-35.600111.7
1215P44.1Very low43.9Very low123 Ų123141.2 Ų141.280%0.79982%0.82SS**PPolyproline II helixtrans-69.6166.417530.9-36.5000112.3
1216S52.4Low44.9Very low122 Ų122137.9 Ų137.985%0.85381%0.814SS**  trans-148.8128.4168.3-71.30000110.1
1217T38.1Very low45.7Very low139 Ų139138.1 Ų138.185%0.85382%0.818SS**  trans-73.7137.2-170.947.70000113.8
1218V40.1Very low46.2Very low144 Ų144142.8 Ų142.887%0.87382%0.821SS**  trans-140.2130.7149.1-176.60000107.9
1219T38.6Very low46.4Very low140 Ų140145.8 Ų145.886%0.85982%0.821SS**  trans-85.9132.8179.7-50.10000111.4
1220A45.3Very low46.5Very low88 Ų88149.1 Ų149.173%0.72783%0.828SS**  trans-159.4143.4159.900000108.9
1221E46.2Very low46.6Very low183 Ų183150.5 Ų150.586%0.85583%0.825SS**  trans-75.9144.9178.9-64.9135.5121.400112.3
1222P56.8Low46.8Very low124 Ų124150.5 Ų150.581%0.80583%0.825SS**  trans-96.6102.4156.333.3-24.3000109.9
1223E43.1Very low47Very low185 Ų185151.3 Ų151.386%0.86483%0.828SS**  trans-63.9139.8165.7-77.2-176.5110.900110.5
1224L42.2Very low46.3Very low176 Ų176149.9 Ų149.992%0.92183%0.827SS**  trans-77.4124.3171.1-71.9166.7000110
1225T44.8Very low46.6Very low125 Ų125151 Ų15177%0.76783%0.833SS**  trans-135.7126.5160.653.40000109.9
1226P57.8Low46.7Very low112 Ų112153.4 Ų153.473%0.72783%0.831SS**PPolyproline II helixtrans-67.8161.8175.129.9-35.2000111.5K1228P1226-K1228 PolarHBondContact O-N 3.39Å; P1226-K1228 VanDerWaalsContact O-N 3.15Å
1227P60.2Low46.3Very low135 Ų135154 Ų15488%0.87782%0.824SS**PPolyproline II helixtrans-61.8118.3174.426.9-34.2000110
1228K49.1Very low46.7Very low196 Ų196155.6 Ų155.685%0.85282%0.822SS**PPolyproline II helixtrans-89.9131176.7-173.4172.1-176.5171.70109.7P1226P1226-K1228 PolarHBondContact O-N 3.39Å; P1226-K1228 VanDerWaalsContact O-N 3.15Å
1229E46.6Very low47.1Very low186 Ų186153.5 Ų153.587%0.86981%0.806SS**PPolyproline II helixtrans-60.6135.7174.8-63.5-179.8111.300111.4E1231E1229-E1231 PolarHBondContact O-N 2.99Å
1230E43.7Very low47.4Very low196 Ų196153 Ų15392%0.91680%0.798SS**  trans-86.289.3173.2-71.8-168.4115.800110.4E1232E1230-E1232 PolarHBondContact O-N 3.01Å
1231E47.4Very low47.5Very low172 Ų172155.2 Ų155.280%0.80479%0.791SS**  trans-78.8107.1165-166.8179.9-15700109.9E1229 Q1233E1229-E1231 PolarHBondContact O-N 2.99Å; E1231-Q1233 PolarHBondContact O-N 3.16Å
1232E46.9Very low47.7Very low184 Ų184151.6 Ų151.686%0.8679%0.792SS**  trans-79.184.5-174.1-168.5-177.3-171.600112.5E1230E1230-E1232 PolarHBondContact O-N 3.01Å
1233Q43.7Very low47.3Very low169 Ų169155 Ų15579%0.7979%0.794SS**  trans-103.193.8175.2-162.3171.39300112.9E1231 E1235E1231-Q1233 PolarHBondContact O-N 3.16Å; Q1233-E1235 PolarHBondContact O-N 3.15Å
1234A42.6Very low47.4Very low95 Ų95151 Ų15179%0.78579%0.787SS**  trans-92.981.2-176.900000114.1
1235E48.3Very low47.4Very low177 Ų177148.6 Ų148.683%0.82778%0.78SS**  trans-82.8131.7167.6-172.3-171.1-14200111.7Q1233Q1233-E1235 PolarHBondContact O-N 3.15Å
1236K47.3Very low47.6Very low174 Ų174148 Ų14876%0.75778%0.778SS**  trans-172.9140.6153.5-110.4177.7-162.585.40115.8
1237D43.5Very low47.3Very low133 Ų133148 Ų14871%0.71178%0.778SS**  trans59.9139.2146.5-54.3-27.1000119.9
1238E46.5Very low46.4Very low174 Ų174147.2 Ų147.281%0.81377%0.771SS**  cis-158.8147.5-0.7-130-171.4163.600112.9
1239D48.1Very low45.8Very low99 Ų99143.7 Ų143.753%0.52977%0.766SS.*  trans28.2126.6150.9-166.527.4000121.1K1241D1239-K1241 IonicContact OD1-NZ 3.16Å; D1239-K1241 PolarHBondContact OD1-NZ 3.17Å; D1239-K1241 IonicContact OD2-NZ 3.61Å; D1239-K1241 PolarHBondContact OD2-NZ 3.41Å
1240N44.9Very low45.5Very low131 Ų131141.5 Ų141.570%0.70177%0.766SS**  -174.884.8111.5-98.7-77.6000118.2
1241K47.2Very low45.2Very low133 Ų133137.3 Ų137.358%0.57876%0.758SS**  52.399.2114.6-172.9-166.2-66.472.80120.7D1239D1239-K1241 IonicContact OD1-NZ 3.16Å; D1239-K1241 PolarHBondContact OD1-NZ 3.17Å; D1239-K1241 IonicContact OD2-NZ 3.61Å; D1239-K1241 PolarHBondContact OD2-NZ 3.41Å
1242A50.3Low44.9Very low107 Ų107135.9 Ų135.988%0.88476%0.761SS**  trans-144.4130.3150.700000113
1243K50.1Low44.5Very low195 Ų195135.3 Ų135.385%0.84876%0.758SS**  trans-98.3149.5-169.6-57.6169178.9176.10113.4
1244S44.1Very low44.3Very low102 Ų102133.8 Ų133.871%0.71376%0.76SS**  -179.699.4117.6177.70000117.3
1245T42.8Very low44Very low125 Ų125134.8 Ų134.877%0.76776%0.756SS**  65.2126.5125.1-23.80000122.5
1246P49.5Very low43.3Very low113 Ų113132.1 Ų132.173%0.73475%0.752SS**  trans-99.1-160.2178.943.9-38.6000113.1
1247P50.9Low42.8Very low111 Ų111130.1 Ų130.172%0.72175%0.754SS**  -163.417876.546.2-24.2000120.6
1248T41.2Very low42.3Very low119 Ų119130.2 Ų130.273%0.7375%0.754SS**  trans88.493.5145.4-46.50000122.7
1249T36.1Very low42Very low122 Ų122127.2 Ų127.275%0.74875%0.748SS**  trans14.4145.4132.363.20000123.2
1250T41.7Very low41.4Very low141 Ų141130.5 Ų130.587%0.86576%0.76SS**  -159.5144120.2-67.80000109.7
1251S36.6Very low41Very low108 Ų108132.3 Ų132.376%0.75577%0.768SS**  trans-98.6154-179.751.80000113.3
1252V40.3Very low40.5Very low141 Ų141132.5 Ų132.586%0.85578%0.775SS**  trans-135.3139.7160.7-178.90000108.6
1253E39.3Very low40Very low172 Ų172131.6 Ų131.680%0.80477%0.768SS**  trans-117.7136.3-174.9172.8-177.2-145.900107.6V1255E1253-V1255 HydrophobicContact CG-CG2 4.41Å
1254V38.6Very low39.4Very low138 Ų138130.2 Ų130.284%0.83676%0.764SS**  trans-135.7136175.5-177.50000108.3
1255V37.8Very low39Very low116 Ų116133 Ų13370%0.70377%0.771SS**  trans-113.3147.4-161.1174.90000112.2E1253E1253-V1255 HydrophobicContact CG-CG2 4.41Å
1256V32.6Very low38.7Very low121 Ų121132.9 Ų132.973%0.73377%0.77SS**  trans-38.3138.7171.2-179.80000114.7N1258V1256-N1258 HydrophobicContact CG1-CB 4.44Å
1257V36.9Very low38Very low132 Ų132135.9 Ų135.980%0.878%0.775SS**  trans-135.9109.9139.3-178.40000108.2
1258N32.1Very low37.3Very low135 Ų135138.8 Ų138.872%0.72278%0.782SS**  trans-99.1138.9164.4-174.43000107.9V1256V1256-N1258 HydrophobicContact CG1-CB 4.44Å
1259T40.9Very low37Very low110 Ų110136 Ų13668%0.67578%0.777SS**  trans-144103.2177.4-39.20000110.4
1260Q36.3Very low37Very low169 Ų169137.3 Ų137.379%0.7979%0.785SS**  trans-72.8150.3164.3-73.6179.5-1800110.6
1261I36.4Very low36.7Very low169 Ų169134.4 Ų134.487%0.86778%0.775SS**  trans-128.1123.1154.1-62.1179.8000106.2
1262N36.9Very low36.8Very low136 Ų136137.2 Ų137.273%0.72778%0.776SS**  trans-130.2132.7176.9-175.7-6.5000108.7
1263A39.2Very low36.7Very low88 Ų88136.9 Ų136.973%0.72777%0.768SS**  trans-158.1101.9168.300000106.9
1264Q38Very low36.7Very low166 Ų166134.6 Ų134.678%0.77677%0.766SS**  59.990.775.9-67.2-161.9-21.100115.2
1265N35.7Very low36.7Very low160 Ų160133.8 Ų133.886%0.85676%0.763SS**  trans-166.2109.5130.8-102.1-9.9000105.5
1266T36.1Very low36.6Very low123 Ų123134.2 Ų134.276%0.75577%0.771SS**  81.113452.1-520000112.5
1267Q33.8Very low36.9Very low177 Ų177134.4 Ų134.483%0.82777%0.772SS**  trans-85.4-168.3-155.7-59.4165.4-32.700114.9
1268I37.6Very low36.9Very low171 Ų171137 Ų13788%0.87778%0.776SS**  trans86.7126.2171.7-47.4157.3000113.4
1269G35Very low37Very low60 Ų60134.4 Ų134.462%0.61978%0.781SS**  cis151.5140.3-9.300000113.7
1270V36.3Very low37Very low151 Ų151133 Ų13392%0.91578%0.781SS**  trans72.5140.5163.9-1750000118
1271A35.3Very low37.4Very low79 Ų79134.2 Ų134.265%0.65378%0.784SS**  trans71104.615900000122.1
1272E38.6Very low37.5Very low168 Ų168134.1 Ų134.179%0.78578%0.779SS**  91.7122.9101.3-157.8171.3-162.700122.3
1273I37.3Very low37.9Very low133 Ų133135.7 Ų135.768%0.68279%0.786SS**  trans74108.1147.1-74.9173.5000122.6
1274V38.7Very low37.8Very low124 Ų124138.4 Ų138.475%0.75278%0.783SS**  71133.5129.5177.60000120.6
1275P39.5Very low38.2Very low121 Ų121135.1 Ų135.179%0.78678%0.776SS**  trans-91.7169.6-177.338.1-38.3000114.4
1276S35.9Very low38.4Very low125 Ų125133 Ų13387%0.87477%0.769SS**  trans-145.4144.6161.4-160.10000113.9
1277V37.7Very low38.6Very low125 Ų125133 Ų13376%0.75877%0.771SS**  trans-87.1150.2-171-173.70000110.9
1278Q37.3Very low39Very low187 Ų187129.5 Ų129.587%0.87477%0.773SS**  160.1121.9128.4-84.6173.729.500112.9
1279G33.6Very low38.9Very low81 Ų81131 Ų13184%0.83577%0.773SS**  trans-95.1-165179.700000114.4
1280A41.6Very low39.3Very low81 Ų81135 Ų13567%0.66979%0.786SS**  trans-162.4120.1169.700000115.7
1281K44.3Very low39.5Very low194 Ų194134.3 Ų134.384%0.84378%0.782SS**  trans69105.3142.8-59.8152.5-165.5159.90117.5
1282H38.3Very low39.9Very low167 Ų167135.9 Ų135.977%0.77379%0.785SS**  78.3114.858.4-174.5-1.5000114.2
1283I45.1Very low39.7Very low169 Ų169138.9 Ų138.987%0.86779%0.789SS**  trans-162.3121.7149.4-96.5146.9000108.6
1284E38.1Very low39.6Very low145 Ų145137.4 Ų137.468%0.67879%0.787SS**  trans-105.3-175.8169-137-134.3117.300106.9T1286E1284-T1286 PolarHBondContact OE1-N 3.41Å
1285P45.7Very low39.5Very low96 Ų96142.6 Ų142.662%0.62379%0.792SS**  cis-154.9-177.430.943.4-19.6000121.4
1286T40.9Very low39.3Very low116 Ų116142.4 Ų142.471%0.71279%0.793SS**  trans83.4130.2144.140.50000122.9E1284E1284-T1286 PolarHBondContact OE1-N 3.41Å
1287P40.4Very low40Very low123 Ų123142.1 Ų142.180%0.79979%0.788SS**  trans-103.7177174.341.3-36.7000114.9
1288A41.7Very low40.3Very low103 Ų103141.9 Ų141.985%0.85179%0.789SS**  trans-139.7128.617200000113.7
1289K35.1Very low40.2Very low203 Ų203137.9 Ų137.988%0.88378%0.782SS**  trans-94.7136.7-177.7-58.9174.4178.3-179.80112.6
1290T43.8Very low40.5Very low145 Ų145139.7 Ų139.789%0.8977%0.772SS**  trans-152.8101.2152.945.20000113.7
1291T41.3Very low40.5Very low135 Ų135142.7 Ų142.783%0.82877%0.77SS**  trans-93.2141.1157.4-240000109.1
1292P42.3Very low40.4Very low112 Ų112141.3 Ų141.373%0.72777%0.766SS**  -146.9130.4111.329.9-10.9000113.7
1293R33.9Very low40.5Very low231 Ų231137.3 Ų137.387%0.87276%0.762SS**  85145.673.8-163.5-170.4-167.3172.36.4113.4
1294V35.2Very low40.4Very low103 Ų103134.9 Ų134.962%0.62476%0.755SS**  trans112.395.4156.5-173.10000118.6
1295R38.4Very low40.5Very low232 Ų232134.9 Ų134.988%0.87576%0.76SS**  trans77.6124.2137.9-69.2174.3-175.1143.8-1.5124.1
1296C35.2Very low40.4Very low117 Ų117136.6 Ų136.679%0.79177%0.768SS**  trans-90-177.9143.1-390000110.9
1297P50.7Low40.3Very low120 Ų120134.6 Ų134.678%0.77977%0.771SS**  cis-107.1-97.9-34.4193.7000109.9
1298P42.5Very low40.4Very low120 Ų120132.5 Ų132.578%0.77977%0.771SS**  cis-116.3-153.9-0.644.9-30.5000113.7
1299S36.3Very low40.6Very low102 Ų102135.7 Ų135.771%0.71377%0.768SS**  trans-105.5179.1-167.9-37.60000116.8
1300D40.6Very low41.1Very low119 Ų119132.1 Ų132.164%0.63676%0.759SS**  trans98108.4135.9-84.3-4.6000124.8
1301K41.1Very low40.8Very low144 Ų144131.1 Ų131.163%0.62676%0.757SS**  91.8136.2111.7-79.3175.617790.50125.2
1302H41.8Very low40.8Very low165 Ų165127.8 Ų127.876%0.76475%0.749SS**  trans72164.1146.3-59.6-33.4000118.9
1303A40.2Very low40.6Very low84 Ų84129.1 Ų129.169%0.69475%0.75SS**  cis-152.1142.512.500000112.3
1304V43.8Very low40.7Very low117 Ų117125 Ų12571%0.70974%0.741SS**  82.2129.481.1172.90000117.5
1305N40.4Very low40.6Very low146 Ų146128.9 Ų128.978%0.78175%0.749SS**  trans161.9142136.2-90.2-42.4000110.7
1306V42.2Very low40.4Very low131 Ų131126.3 Ų126.379%0.79475%0.747SS**  cis-154.1165.5-6.4-94.30000107.4
1307G39.4Very low40.4Very low75 Ų75127.5 Ų127.577%0.77375%0.75SS**  cis119.5924.400000113.1
1308G43.2Very low39.8Very low78 Ų78125.2 Ų125.280%0.80475%0.749SS**  trans-138.242-155.500000121.1
1309Q46Very low39.6Very low170 Ų170126.1 Ų126.179%0.79475%0.753SS**  trans70.7135.1149.9-69.9-168.518.100124.1
1310N45.1Very low39.8Very low128 Ų128126.3 Ų126.368%0.68475%0.751SS**  trans75.6145.9145.2-56.7-20.7000119.9
1311C37.9Very low39.3Very low124 Ų124126.7 Ų126.784%0.83876%0.758SS**  cis-172.8148.9-21.9-109.10000109.9
1312G39.5Very low39Very low65 Ų65128.6 Ų128.667%0.6777%0.769SS**  trans126.488.4148.600000120.1
1313N39.8Very low38.6Very low140 Ų140130.2 Ų130.275%0.74977%0.774SS**  56.3113125.2-7551.1000123.6
1314E35Very low38.2Very low146 Ų146137.9 Ų137.968%0.68279%0.785SS**  101.692.9102.7-164.2161.9-163.100121.4
1315K33.6Very low37.8Very low183 Ų183138 Ų13880%0.79679%0.786SS**  trans37.9125.4131.6-56.1176.4179178.60120.2
1316Q33.4Very low37.3Very low178 Ų178141.9 Ų141.983%0.83279%0.79SS**  -179138.8102.5-99.5171.873.600115
1317V35.6Very low36.7Very low142 Ų142142.3 Ų142.386%0.86179%0.786SS**  trans37.4119138.4-174.30000120
1318G38.4Very low36.5Very low73 Ų73144.2 Ų144.275%0.75378%0.783SS**  trans177110.5159.800000115
1319T37.5Very low36.1Very low139 Ų139146.4 Ų146.485%0.85378%0.781SS**  trans-100.7179.9161.151.50000108.4
1320P41.1Very low35.6Very low105 Ų105142.2 Ų142.268%0.68278%0.776SS**  cis-141.4-172.29.441.1-20.4000116.8
1321T30.9Very low35.8Very low127 Ų127140.8 Ų140.878%0.77978%0.781SS**  trans66.5155.9159.435.90000117.8
1322Q33.3Very low36Very low184 Ų184140.5 Ų140.586%0.8678%0.778SS**  cis-141154.19.7-148.5171.922.900111.4
1323K34.1Very low36.2Very low199 Ų199146.6 Ų146.687%0.86579%0.786SS**  trans-90.1143.5167-66-178.1178.5-176.90109.9
1324R32.3Very low36.2Very low245 Ų245150.2 Ų150.293%0.92580%0.795SS**  trans-153149.4139.8-149.3166.4-175.5161.31.4111.8
1325T34.3Very low36.8Very low121 Ų121151.4 Ų151.474%0.74280%0.801SS**  trans-129.3171.9-178.4-49.10000107.8
1326R29.9Very low37.5Very low226 Ų226152.1 Ų152.185%0.85381%0.807SS**  trans95.4148.3175.1-60.7-161.9174.1-178.3-2.6113.7
1327I30.7Very low38.5Very low140 Ų140149.2 Ų149.272%0.71880%0.797SS**  cis169.8157.7-21.7-106.1165.6000103.6
1328T35.2Very low39.8Very low116 Ų116145.6 Ų145.671%0.71278%0.778SS**  trans-28.5163.5168.18.10000117.7
1329T35Very low41.6Very low123 Ų123149.6 Ų149.676%0.75578%0.775SS**  cis-169.3163.242.5-21.60000115
1330A35.1Very low43.5Very low83 Ų83148.9 Ų148.969%0.68676%0.76SS**  trans67.6106.9142.300000124.2
1331A49.1Very low45.5Very low97 Ų97145.8 Ų145.880%0.80275%0.748SS**  35.5154.3122.200000123
1332P42.8Very low47.9Very low119 Ų119146.4 Ų146.477%0.77374%0.74SS**  -153.8179.29041-22.8000117.9
1333K43.6Very low50.2Low192 Ų192139.8 Ų139.884%0.83571%0.71SS**  trans91.789.7160.8-64.3-175179.1-179.50120.4
1334K40Very low52.5Low216 Ų216140.4 Ų140.494%0.93971%0.707SS**  28.896128.1-62.5-171.9178.2-172.60117.5
1335Q47.4Very low54.9Low172 Ų172133.2 Ų133.280%0.80470%0.695SS**  trans-126.6122140.5-163.6172.31300107.1N1337Q1335-N1337 VanDerWaalsContact C-N 3.31Å; Q1335-N1337 PolarHBondContact O-N 3.07Å
1336Q47.5Very low57.2Low198 Ų198135.8 Ų135.893%0.92569%0.692SS**  trans-70.693.5172.2-88.5177.5-60.400108.1S1338Q1336-S1338 PolarHBondContact O-N 3.46Å
1337N54.1Low59.5Low117 Ų117131.3 Ų131.363%0.62668%0.679SS**  trans-64.588.5163.2-83.6-41.7000107.8Q1335 F1339Q1335-N1337 VanDerWaalsContact C-N 3.31Å; Q1335-N1337 PolarHBondContact O-N 3.07Å; N1337-F1339 PolarHBondContact O-N 3.33Å; N1337-F1339 VanDerWaalsContact O-N 3.1Å
1338S63.1Low62Low65 Ų65130.3 Ų130.346%0.45570%0.703SS.*  trans-52.4118.9176.6177.40000109.3Q1336 F1340 G1341 K1342Q1336-S1338 PolarHBondContact O-N 3.46Å; S1338-F1340 PolarHBondContact O-N 3.27Å; S1338-G1341 WeakPolarHBondContact O-CA 3.06Å; S1338-G1341 PolarHBondContact O-N 2.97Å; S1338-G1341 PolarHBondContact OG-N 2.99Å; S1338-K1342 PolarHBondContact O-N 3.06Å
1339F77.2Confident63.3Low158 Ų158131 Ų13169%0.69370%0.702SS**Hα-helixtrans-56.1-43.9176.6-175.8-98.7000110N1337 G1341 K1342 L1343N1337-F1339 PolarHBondContact O-N 3.33Å; N1337-F1339 VanDerWaalsContact O-N 3.1Å; F1339-G1341 VanDerWaalsContact C-N 3.29Å; F1339-G1341 PolarHBondContact O-N 3.27Å; F1339-K1342 PolarHBondContact O-N 2.98Å; F1339-L1343 WeakPolarHBondContact O-CB 3.36Å; F1339-L1343 PolarHBondContact O-N 2.83Å
1340F77.8Confident64.8Low123 Ų123131.4 Ų131.454%0.53970%0.7SS.*Hα-helixtrans-57.2-35.2171.3-72.4-84.4000113.9S1338 L1343 W1344S1338-F1340 PolarHBondContact O-N 3.27Å; F1340-L1343 PolarHBondContact O-N 3.03Å; F1340-W1344 WeakPolarHBondContact O-CB 3.27Å; F1340-W1344 PolarHBondContact O-N 2.65Å
1341G81.4Confident66.5Low41 Ų41134.1 Ų134.142%0.42370%0.7SS.*Hα-helixtrans-67.5-39.4177.200000112.9S1338 F1339 S1345S1338-G1341 WeakPolarHBondContact O-CA 3.06Å; S1338-G1341 PolarHBondContact O-N 2.97Å; S1338-G1341 PolarHBondContact OG-N 2.99Å; F1339-G1341 VanDerWaalsContact C-N 3.29Å; F1339-G1341 PolarHBondContact O-N 3.27Å; G1341-S1345 WeakPolarHBondContact O-CB 3.09Å; G1341-S1345 PolarHBondContact O-N 3.42Å
1342K82.7Confident67.5Low139 Ų139136.3 Ų136.360%0.60469%0.694SS**Hα-helixtrans-71.2-35.3171.6-72.6-172.3175.2-175.30112.2S1338 F1339 S1345 Y1346S1338-K1342 PolarHBondContact O-N 3.06Å; F1339-K1342 PolarHBondContact O-N 2.98Å; K1342-S1345 PolarHBondContact O-N 2.85Å; K1342-Y1346 PolarHBondContact O-N 3.49Å
1343L81.1Confident69Low45 Ų45137.4 Ų137.424%0.23669%0.69CS.*Hα-helixtrans-66.6-47.1177.7-159.470.3000111.3F515 F1339 F1340 S1345 Y1346 F1347F515-L1343 HydrophobicContact CE2-CD2 4.13Å; F515-L1343 HydrophobicContact CZ-CD2 4.37Å; F1339-L1343 WeakPolarHBondContact O-CB 3.36Å; F1339-L1343 PolarHBondContact O-N 2.83Å; F1340-L1343 PolarHBondContact O-N 3.03Å; L1343-S1345 PolarHBondContact O-N 3.07Å; L1343-Y1346 WeakPolarHBondContact O-CB 3.06Å; L1343-Y1346 PolarHBondContact O-N 3.31Å; L1343-F1347 HydrophobicContact CD1-CE2 4.14Å; L1343-F1347 HydrophobicContact CG-CD2 4.13Å; L1343-F1347 HydrophobicContact CG-CE2 4.02Å; L1343-F1347 WeakPolarHBondContact O-CD2 3.18Å; L1343-F1347 PolarHBondContact O-N 2.7Å
1344W81.3Confident70.7Confident212 Ų212133.7 Ų133.780%0.80368%0.68SS**Hα-helixtrans-58.9-44.5173.3-100.451.8000112.1F1340 Y1346 F1347 G1348F1340-W1344 WeakPolarHBondContact O-CB 3.27Å; F1340-W1344 PolarHBondContact O-N 2.65Å; W1344-Y1346 PolarHBondContact O-N 2.83Å; W1344-F1347 PolarHBondContact O-N 2.74Å; W1344-F1347 VanDerWaalsContact O-N 3.08Å; W1344-G1348 PolarHBondContact O-N 3.37Å
1345S83.7Confident72.9Confident95 Ų95127.9 Ų127.966%0.66466%0.661SS**Hα-helixtrans-69.85175.3-170.90000114.6G1341 K1342 L1343G1341-S1345 WeakPolarHBondContact O-CB 3.09Å; G1341-S1345 PolarHBondContact O-N 3.42Å; K1342-S1345 PolarHBondContact O-N 2.85Å; L1343-S1345 PolarHBondContact O-N 3.07Å
1346Y83.4Confident74.9Confident175 Ų175124.5 Ų124.569%0.68665%0.65SS**Hα-helixtrans-115.3-13172.3-158.3-92.5000112.4K1342 L1343 W1344K1342-Y1346 PolarHBondContact O-N 3.49Å; L1343-Y1346 WeakPolarHBondContact O-CB 3.06Å; L1343-Y1346 PolarHBondContact O-N 3.31Å; W1344-Y1346 PolarHBondContact O-N 2.83Å
1347F78.2Confident77.2Confident131 Ų131118.3 Ų118.358%0.57563%0.628SS**Hα-helixtrans-106-17177.4-84.2-70.7000113.8L1343 W1344L1343-F1347 HydrophobicContact CD1-CE2 4.14Å; L1343-F1347 HydrophobicContact CG-CD2 4.13Å; L1343-F1347 HydrophobicContact CG-CE2 4.02Å; L1343-F1347 WeakPolarHBondContact O-CD2 3.18Å; L1343-F1347 PolarHBondContact O-N 2.7Å; W1344-F1347 PolarHBondContact O-N 2.74Å; W1344-F1347 VanDerWaalsContact O-N 3.08Å
1348G82.1Confident79.3Confident119 Ų119118.5 Ų118.5100%1.22763%0.628SS**  trans-121.5017400000112.6W1344W1344-G1348 PolarHBondContact O-N 3.37Å

Retrieved 1,348 of 1,348 residues in 584.3 ms (Link to these results)