A0A087YMS0_POEFO Loading...

Pumilio RNA binding family member 2

AlphaFold DB , UniProt , Accession A0A087YMS0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,211 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
1M27.7Very low31.9Very low241 Ų241139.1 Ų139.1100%1.18780%0.803SS**  0146.10-59.6167.8178.500107.9
2S28.7Very low31.7Very low118 Ų118140.4 Ų140.483%0.82581%0.805SS**  cis-166.3144.1-37.9-85.90000106.4
3I32.1Very low31.7Very low165 Ų165140.2 Ų140.285%0.84681%0.808SS**  trans-96.4-169.4-179.57.1172000109.6
4P56.2Low31.6Very low101 Ų101135.6 Ų135.666%0.65681%0.805SS**  cis-139.5-159.5-11.123.74.2000114.7
5C28.4Very low31.3Very low112 Ų112142.8 Ų142.876%0.75781%0.813SS**  trans87.6151147.2-67.10000119.7
6S31.3Very low30.9Very low90 Ų90143.1 Ų143.163%0.62981%0.805SS**  cis-171.9130-21.7-97.20000108.1
7I30.9Very low31Very low151 Ų151143.4 Ų143.477%0.77480%0.799SS**  81.3131.779.7-70.8172.5000115
8L29.9Very low30.9Very low167 Ų167143.3 Ų143.387%0.87480%0.803SS**  trans70.9146.8176.1-68159.6000117.8
9G27.6Very low30.9Very low61 Ų61148.1 Ų148.163%0.62981%0.807SS**  cis168.3172.6-9.700000115.2
10M26.8Very low30.8Very low178 Ų178144.7 Ų144.788%0.87781%0.808SS**  trans75.2136.7161.6-66.8161.758.200121.7
11N30.9Very low31Very low146 Ų146141.4 Ų141.478%0.78181%0.806SS**  trans-9.1150153.1-52.81.7000117.7
12D29.5Very low31.2Very low155 Ų155138.3 Ų138.383%0.82979%0.791SS**  -161.6178.970.9-131.6-38.1000116.7
13V32.3Very low31.2Very low138 Ų138138.9 Ų138.984%0.83678%0.784SS**  trans-107.9126.3177.8-170.50000110.6
14G29.7Very low31.1Very low75 Ų75139.9 Ų139.977%0.77379%0.785SS**  trans-163.4151.718000000113.8
15W27.2Very low30Very low244 Ų244138.9 Ų138.992%0.92479%0.785SS**  trans-121168-169.3-105.186.2000113.3
16Q25.8Very low30.1Very low147 Ų147141.6 Ų141.669%0.68779%0.792SS**  trans77.4118.2160.7-72.1-171-74.500121.7
17E32.7Very low29.9Very low149 Ų149141.3 Ų141.370%0.69680%0.803SS**  34.9138120.2-56.1178.994.800121.4
18T28.6Very low29.8Very low142 Ų142138.7 Ų138.787%0.87180%0.804SS**  -164.8152.1113.2-79.90000112.6
19R30.5Very low30.8Very low234 Ų234135.9 Ų135.988%0.88380%0.796SS**  trans-73.3144-178.3-57.1166.8175.3177.1-3.4114.5
20G29.6Very low30.8Very low79 Ų79141 Ų14181%0.81480%0.804SS**  62.3121.1110.900000122.9
21G34.6Very low30.8Very low76 Ų76138.7 Ų138.778%0.78481%0.805SS**  91.2147.3129.500000119.7
22M32.4Very low30.6Very low177 Ų177135.1 Ų135.187%0.87280%0.802SS**  trans-169.8155.6163.4-105158.26900107
23L28.9Very low30.4Very low130 Ų130131.3 Ų131.368%0.68180%0.8SS**  cis-136.6146.425.6-66.4159.6000112.1
24H28.7Very low30.1Very low186 Ų186131.3 Ų131.386%0.86180%0.8SS**  -178.5166103.1-101.9-81.1000110
25A34.2Very low30Very low80 Ų80138.6 Ų138.666%0.66180%0.804SS**  trans-134.8155.2-15900000114.4
26N29.5Very low30Very low169 Ų169131.8 Ų131.890%0.90479%0.789SS**  168.1153.5125.1-86-28.4000112.7
27G28.3Very low30Very low83 Ų83133.9 Ų133.986%0.85680%0.798SS**  trans100.3128.9156.800000117.1
28A27Very low29.7Very low96 Ų96130.5 Ų130.579%0.79380%0.804SS**  trans-132.7177.7171.200000108.3
29P51.6Low29.6Very low108 Ų108127.6 Ų127.670%0.70180%0.802SS**  cis-140-167-0.544.1-25.3000115.2
30E28.7Very low29.5Very low170 Ų170120 Ų12079%0.79480%0.796SS**  trans67.4116.2147.4-78.5-177.2144.600125.2
31S27Very low30Very low128 Ų128121.8 Ų121.890%0.89579%0.794SS**  trans72.7164.7134.481.40000120.2
32G26.5Very low29.7Very low71 Ų71125.5 Ų125.573%0.73280%0.795SS**  trans168.1-76.4172.100000117.3
33G24.3Very low29.6Very low75 Ų75122.6 Ų122.677%0.77379%0.787SS**  trans69.3-167.117900000116.5
34V25.3Very low29.6Very low139 Ų139120.6 Ų120.684%0.84279%0.789SS**  trans70.6136.8177.3-169.30000115.4
35R27.6Very low29.6Very low227 Ų227118.9 Ų118.986%0.85779%0.792SS**  cis159.8167.1-25.4-178.3-167.4-158.2-15411.1106.3
36V27.8Very low29.2Very low101 Ų101118.7 Ų118.761%0.61280%0.798SS**  trans102.7116.8153.5-171.40000118.2
37H27Very low29.1Very low191 Ų191114.8 Ų114.888%0.88480%0.797SS**  trans48.5147.6157.6-59.4-43.1000122.2
38G26.4Very low29Very low78 Ų78114.8 Ų114.880%0.80480%0.797SS**  cis149.8158.5-8.900000114.5
39G25.9Very low28.9Very low82 Ų82114 Ų11485%0.84580%0.798SS**  trans136.6110.1170.100000115
40G27.8Very low27.7Very low73 Ų73117.9 Ų117.975%0.75381%0.807SS**  trans-87.2-155.2154.700000110.4
41P40.2Very low27.7Very low117 Ų117114.5 Ų114.576%0.7681%0.808SS**  cis-110.2170.921.97.717.9000113.1
42L29Very low28.6Very low154 Ų154114.8 Ų114.881%0.80681%0.806SS**  cis72.2145.643-51.4173.6000114.8
43T29.4Very low28.6Very low117 Ų117115.2 Ų115.272%0.71881%0.811SS**  cis-170.1158.8-25.724.60000109.7
44A29.5Very low28.6Very low87 Ų87115.3 Ų115.372%0.71981%0.812SS**  trans52.5137.6137.500000124.4
45V28.1Very low29.5Very low151 Ų151114.2 Ų114.292%0.91581%0.808SS**  15.5131.2125.3-173.20000118.9
46G25.6Very low29.4Very low76 Ų76111.1 Ų111.178%0.78480%0.803SS**  trans163.6149.6155.600000113.8
47G28.1Very low29.4Very low86 Ų86112.2 Ų112.289%0.88780%0.804SS**  trans-153163.6172.600000112.3
48G26.6Very low29.4Very low84 Ų84111.4 Ų111.487%0.86680%0.801SS**  trans153.1137.9171.300000115.5
49G24.6Very low29.4Very low78 Ų78110.6 Ų110.680%0.80479%0.793SS**  trans95158.3168.400000117
50Q26.4Very low29.5Very low191 Ų191114.8 Ų114.889%0.89379%0.792SS**  cis-167.1104-17.4-147.817844.200113
51A28.6Very low29.4Very low98 Ų98116.9 Ų116.981%0.8179%0.786SS**  trans51.9-173.715800000118.8
52P45.1Very low28.7Very low134 Ų134121.6 Ų121.687%0.8779%0.789SS**  cis-124.5173.3-21.840.8-27000114.4
53G26.8Very low28.4Very low81 Ų81119.3 Ų119.384%0.83579%0.786SS**  trans156.4126.3162.300000116
54G25.2Very low28.2Very low76 Ų76118.1 Ų118.178%0.78479%0.787SS**  trans-111.8-155.8171.100000112.2
55P43.1Very low28.2Very low117 Ų117121.4 Ų121.476%0.7679%0.793SS**  cis-144.3-176.29.542.5-23000117.7
56H27Very low28.1Very low161 Ų161122.2 Ų122.275%0.74579%0.791SS**  trans77.9124142.9-90.7-16.4000125.3
57L26.6Very low28.3Very low124 Ų124124.5 Ų124.565%0.64979%0.79SS**  trans68158.2133.3-60.8168.7000118.9
58Q27.2Very low29.1Very low174 Ų174126.7 Ų126.781%0.81379%0.789SS**  cis-157.5164.33.4-1431540.300112.7
59G27.5Very low29.1Very low61 Ų61126.1 Ų126.163%0.62978%0.783SS**  trans92.5134.3164.300000115.3
60M27.2Very low29.8Very low171 Ų171129 Ų12984%0.84279%0.785SS**  cis75.3131.134.2-54.4171.770.600113
61D25.5Very low31Very low116 Ų116125.4 Ų125.462%0.6278%0.778SS**  cis-159.6-177.71.6-136.9-45.5000112.9
62R25.7Very low31.1Very low217 Ų217129.3 Ų129.382%0.81978%0.78SS**  trans-10.5168.1155.2-73.5155.4173.2-164.5-3.5120.9
63S23.7Very low32.1Very low106 Ų106127.5 Ų127.574%0.74177%0.768SS**  cis172160.6-21.4-83.10000109
64A25.2Very low33.6Very low91 Ų91128.7 Ų128.775%0.75276%0.761SS**  trans68128.6147.800000123.1
65N28.4Very low34.4Very low156 Ų156132.6 Ų132.683%0.83476%0.763SS**  trans30.7139.2134-68.9-16.7000122.5
66L26.1Very low34.2Very low168 Ų168132.8 Ų132.888%0.8877%0.767SS**  -165.6153.8102.6-103.7168.5000114.4
67T30.6Very low34.7Very low124 Ų124128.1 Ų128.176%0.76176%0.763SS**  trans-109.4164.8171.8510000110.6
68P43.9Very low35Very low133 Ų133133 Ų13386%0.86477%0.773SS**  -144.1169.79934.6-17.1000113.9
69G26.7Very low35.4Very low72 Ų72128.6 Ų128.674%0.74276%0.761SS**  cis-167.1-1755.500000115.5
70T39.9Very low35.5Very low138 Ų138131.8 Ų131.885%0.84776%0.759SS**  trans-78.8175.9-167.525.10000115.7
71P50.4Low35.8Very low115 Ų115130.1 Ų130.175%0.74775%0.754SS**  cis-149.2136.729.838.5-14.5000122.5
72Q31.5Very low36.4Very low181 Ų181132 Ų13285%0.84676%0.764SS**  trans68.8175.9132.1-116.8-150.94.700122
73P65.2Low36.9Very low96 Ų96124.9 Ų124.962%0.62375%0.751SS**  -131.1-151.3-111.748.9-29.9000114.1
74P58.8Low37.3Very low106 Ų106126.2 Ų126.269%0.68876%0.755SS**  cis-141.5-174.9-9.943.6-24.4000118.7
75L41.3Very low37.5Very low158 Ų158128.6 Ų128.683%0.82776%0.76SS**  trans93.2121.6148.9-72.4176.9000125.8
76S39.7Very low37.6Very low121 Ų121124.4 Ų124.485%0.84675%0.754SS**  trans62.1153138.5-1280000123.3
77G36.5Very low37.7Very low63 Ų63127.5 Ų127.565%0.64976%0.755SS**  cis144.8152.8-10.300000115.6
78R34.2Very low37.7Very low227 Ų227130.1 Ų130.186%0.85776%0.756SS**  trans97.1156.1173.8-64.2-161.7104.6148.38.2118.6
79S34.5Very low37Very low80 Ų80131.8 Ų131.856%0.55975%0.75SS**  cis-177.1171.8-12.3-91.50000109.1
80Q30.5Very low37Very low128 Ų128135.7 Ų135.760%0.59875%0.749SS**  cis-172136.7-23.8-99176.9-97.800111.2
81D33.7Very low36.2Very low136 Ų136138.8 Ų138.873%0.72775%0.745SS**  trans61.9172.7130.4-39.9-17000124.6
82D37.4Very low34.9Very low157 Ų157140 Ų14084%0.8474%0.741SS**  -165.8162.6-63-16419.2000113.6
83A37Very low34.6Very low66 Ų66140 Ų14055%0.54574%0.741SS.*  trans36.7137.1153.200000125.8
84T31.4Very low32.8Very low134 Ų134138.7 Ų138.782%0.82275%0.745SS**  176.8120.6104.3300000118
85V30.6Very low31.3Very low141 Ų141143.1 Ų143.186%0.85576%0.757SS**  trans24.4136140-169.70000124.1
86G28.9Very low30.9Very low68 Ų68144.1 Ų144.170%0.70176%0.757SS**  trans157.998.3140.700000124
87Y29.1Very low30.4Very low234 Ų234145.9 Ų145.992%0.91876%0.756SS**  trans61-169.1142.8-75.3-80.3000124
88F30.2Very low30Very low178 Ų178149.4 Ų149.478%0.78177%0.765SS**  trans-145.1167.8-139.9-134.9-87000114.3
89F29.4Very low29.7Very low168 Ų168141.7 Ų141.774%0.73776%0.756SS**  trans77.2105.9165.8-86.2-81.7000122.8
90Q26.1Very low29.2Very low155 Ų155143.9 Ų143.972%0.72477%0.769SS**  65.4139.6120.1-167166.528.900125.4
91R23Very low29.1Very low202 Ų202144.1 Ų144.176%0.76278%0.78SS**  trans95.6113.7156.5-97.6-179.7-155.3-109.110.7122.5
92Q23.8Very low29.9Very low141 Ų141142.3 Ų142.366%0.65978%0.776SS**  trans55.1136.8132.9-72.6-169.7-65.400125.7
93H26.3Very low29.6Very low180 Ų180140.5 Ų140.583%0.83377%0.766SS**  trans37.7130.9144.5-72.3-94.9000122.5
94G26.8Very low29.4Very low70 Ų70144.9 Ų144.972%0.72277%0.773SS**  trans170.2113.815100000118.3
95E27.6Very low29.4Very low198 Ų198146.7 Ų146.793%0.92577%0.772SS**  trans66.9169.3145.1-58-153.1113.300123.2
96Q31.9Very low29.1Very low180 Ų180151.2 Ų151.284%0.84177%0.773SS**  trans-172.5134.9-147166.7-168.59000110.2
97L30.1Very low29Very low158 Ų158158.4 Ų158.483%0.82778%0.779SS**  trans-155.7156.6168.5-83.8106.9000110.9
98V28.1Very low29.9Very low137 Ų137152.9 Ų152.983%0.8377%0.772SS**  cis-172.8156.9-32.783.70000106.6
99G27.2Very low30Very low64 Ų64149.8 Ų149.866%0.6677%0.768SS**  cis-131.5-127.7-11.500000109.2
100C23.5Very low29.9Very low126 Ų126145.1 Ų145.185%0.85177%0.768SS**  cis-144.6158.6-4.9-82.50000109.4
101T29.1Very low30Very low134 Ų134145.4 Ų145.482%0.82277%0.774SS**  trans-130-149.3-172.965.40000110.5
102P50.2Low30.3Very low98 Ų98139.4 Ų139.464%0.63677%0.767SS**  cis-89.2-145.66.942-40.3000112.5
103N30.6Very low30.5Very low119 Ų119140.7 Ų140.764%0.63678%0.779SS**  cis-164.3162.75.7-113.5-18.8000106
104K33.6Very low30.7Very low158 Ų158141 Ų14169%0.68778%0.78SS**  cis-172.2170.8-25.6-129.8-177-151.5129.90110.1
105H31.1Very low30.7Very low172 Ų172144.3 Ų144.380%0.79679%0.786SS**  trans71.2138.9172.5-52.5-82.9000118
106R25Very low31Very low236 Ų236142.2 Ų142.289%0.89178%0.781SS**  cis-161.1149.4-30.6-157.8177.7-177-171.8-0.6111.2
107W26.1Very low30.9Very low219 Ų219142.5 Ų142.583%0.8378%0.782SS**  trans-67.5171.5176-68.6106.3000115.7
108P49.4Very low31.2Very low117 Ų117141.7 Ų141.776%0.7678%0.784SS**  cis-129176.734.834.1-12.5000116.7
109T30.6Very low31.5Very low113 Ų113142.2 Ų142.269%0.69377%0.771SS**  cis10413014-46.90000116
110G28.1Very low32.6Very low71 Ų71143.5 Ų143.573%0.73277%0.766SS**  trans-172.4147.8172.100000114.1
111D28.3Very low33.5Very low161 Ų161142.9 Ų142.986%0.86176%0.758SS**  trans-101173.3-166.4-61.1-72.3000113.8
112A28.8Very low34.2Very low75 Ų75142 Ų14262%0.6275%0.749SS**  cis-174.7178.6-26.300000110.3
113N28.1Very low33.8Very low168 Ų168142 Ų14290%0.89874%0.74SS**  trans115.9150.6159.7-62.2-48000119.9
114H30Very low34.4Very low188 Ų188141.7 Ų141.787%0.8774%0.736SS**  trans-79.7155.9-178.2-88.6-31.6000114.7
115V27.8Very low35Very low138 Ų138138.7 Ų138.784%0.83673%0.727SS**  -174.3152.5102.2150.40000109.6
116D34Very low35.6Very low154 Ų154139 Ų13982%0.82472%0.723SS**  trans-62.1140.5-179.1-68.7-78.7000114.8
117Q29.8Very low36.2Very low186 Ų186131 Ų13187%0.86970%0.697SS**  trans-149121.3154.8-156.2167.624.300110.7R119Q117-R119 PolarHBondContact O-N 3.49Å
118V36Very low36.7Very low141 Ų141128.5 Ų128.586%0.85569%0.693SS**  trans-78.6114.7178.6178.70000109.2
119R34.3Very low36.4Very low149 Ų149128.5 Ų128.556%0.56268%0.683SS**  trans-73.7147.3174.4-66-166.7-173177.8-0.3111.7Q117 E123 D127Q117-R119 PolarHBondContact O-N 3.49Å; R119-E123 HydrophobicContact CB-CB 4.42Å; R119-E123 VanDerWaalsContact CB-OE2 3.3Å; R119-E123 WeakPolarHBondContact CB-OE2 3.4Å; R119-E123 WeakPolarHBondContact CG-OE2 3.45Å; R119-D127 IonicContact CZ-OD2 3.77Å; R119-D127 IonicContact NH1-OD2 2.98Å; R119-D127 PolarHBondContact NH1-OD2 3.2Å
120T49.6Very low36.7Very low91 Ų91125.4 Ų125.456%0.55867%0.668SS**  trans-81.9160.7174.753.10000111.5D122 E123 M124T120-D122 VanDerWaalsContact C-N 3.27Å; T120-D122 PolarHBondContact O-N 3.34Å; T120-E123 PolarHBondContact O-N 3.36Å; T120-E123 VanDerWaalsContact O-N 3.15Å; T120-M124 PolarHBondContact O-N 3.28Å
121V43.9Very low37Very low112 Ų112128.2 Ų128.268%0.67967%0.666SS**Hα-helixtrans-62.8-32.7-173.5178.50000112.4M124 N125V121-M124 PolarHBondContact O-N 3.33Å; V121-N125 PolarHBondContact O-N 3.38Å
122D43.2Very low37.5Very low117 Ų117124.5 Ų124.563%0.62666%0.658SS**Hα-helixtrans-69.5-29.3177.1-68.9-64.8000113.6T120 N125 Y126T120-D122 VanDerWaalsContact C-N 3.27Å; T120-D122 PolarHBondContact O-N 3.34Å; D122-N125 PolarHBondContact O-N 3.29Å; D122-Y126 PolarHBondContact O-N 3.16Å
123E40.9Very low37.9Very low97 Ų97127.6 Ų127.645%0.45366%0.663SS.*Hα-helixtrans-66.2-43.6172-78.5-171.7131.200111.3R119 T120 N125 Y126 D127R119-E123 HydrophobicContact CB-CB 4.42Å; R119-E123 VanDerWaalsContact CB-OE2 3.3Å; R119-E123 WeakPolarHBondContact CB-OE2 3.4Å; R119-E123 WeakPolarHBondContact CG-OE2 3.45Å; T120-E123 PolarHBondContact O-N 3.36Å; T120-E123 VanDerWaalsContact O-N 3.15Å; E123-N125 PolarHBondContact O-N 2.91Å; E123-Y126 PolarHBondContact O-N 2.92Å; E123-Y126 VanDerWaalsContact O-N 3.16Å; E123-D127 PolarHBondContact O-N 3.39Å
124M44.1Very low38.1Very low112 Ų112127.5 Ų127.555%0.55266%0.657SS**Hα-helixtrans-61.7-33.6174.7-80.4-173.9-73.800112.4T120 V121 F128T120-M124 PolarHBondContact O-N 3.28Å; V121-M124 PolarHBondContact O-N 3.33Å; M124-F128 WeakPolarHBondContact O-CB 3.4Å; M124-F128 PolarHBondContact O-N 3.23Å
125N45.4Very low38.1Very low95 Ų95124 Ų12451%0.50865%0.654SS.*Hα-helixtrans-72.3-33.4177.2-158.718.5000112V121 D122 E123 Q129V121-N125 PolarHBondContact O-N 3.38Å; D122-N125 PolarHBondContact O-N 3.29Å; E123-N125 PolarHBondContact O-N 2.91Å; N125-Q129 PolarHBondContact O-N 3.47Å
126Y43.6Very low38.8Very low180 Ų180129.3 Ų129.371%0.70666%0.659SS**Hα-helixtrans-71.3-43.5170.7-105.5-84.2000112.6D122 E123 F128 Q129 A130D122-Y126 PolarHBondContact O-N 3.16Å; E123-Y126 PolarHBondContact O-N 2.92Å; E123-Y126 VanDerWaalsContact O-N 3.16Å; Y126-F128 VanDerWaalsContact C-N 3.27Å; Y126-F128 PolarHBondContact O-N 3.2Å; Y126-Q129 CarbonylContact O-C 3.6Å; Y126-Q129 WeakPolarHBondContact O-CA 3.41Å; Y126-Q129 PolarHBondContact O-N 3.45Å; Y126-A130 PolarHBondContact O-N 3.38Å
127D38.4Very low38.4Very low66 Ų66125.4 Ų125.435%0.35366%0.655SS.*Hα-helixtrans-60.7-36.5176-81.2-25000111.6R119 E123 Q129 A130 L131R119-D127 IonicContact CZ-OD2 3.77Å; R119-D127 IonicContact NH1-OD2 2.98Å; R119-D127 PolarHBondContact NH1-OD2 3.2Å; E123-D127 PolarHBondContact O-N 3.39Å; D127-Q129 VanDerWaalsContact C-N 3.25Å; D127-Q129 PolarHBondContact O-N 3.17Å; D127-A130 PolarHBondContact O-N 3.3Å; D127-L131 PolarHBondContact O-N 3.44Å
128F36.7Very low38.2Very low168 Ų168126.1 Ų126.174%0.73766%0.661SS**Hα-helixtrans-68.4-23.1175.2-144.9-90.8000113.2M124 Y126M124-F128 WeakPolarHBondContact O-CB 3.4Å; M124-F128 PolarHBondContact O-N 3.23Å; Y126-F128 VanDerWaalsContact C-N 3.27Å; Y126-F128 PolarHBondContact O-N 3.2Å
129Q42.1Very low37.7Very low117 Ų117122.7 Ų122.755%0.54765%0.654SS.*Hα-helixtrans-87.6-28.5169.9-65.7-174.717.100112.5N125 Y126 D127 A132N125-Q129 PolarHBondContact O-N 3.47Å; Y126-Q129 CarbonylContact O-C 3.6Å; Y126-Q129 WeakPolarHBondContact O-CA 3.41Å; Y126-Q129 PolarHBondContact O-N 3.45Å; D127-Q129 VanDerWaalsContact C-N 3.25Å; D127-Q129 PolarHBondContact O-N 3.17Å; Q129-A132 WeakPolarHBondContact O-CB 3.36Å; Q129-A132 PolarHBondContact O-N 3.33Å
130A37Very low37.2Very low47 Ų47123.9 Ų123.939%0.38867%0.666SS.*Hα-helixtrans-68.8-40.8174.500000112.2Y126 D127 A132 L133 E134Y126-A130 PolarHBondContact O-N 3.38Å; D127-A130 PolarHBondContact O-N 3.3Å; A130-A132 PolarHBondContact O-N 3.46Å; A130-A132 VanDerWaalsContact O-N 3.16Å; A130-L133 WeakPolarHBondContact O-CA 3.31Å; A130-L133 PolarHBondContact O-N 3.33Å; A130-E134 PolarHBondContact O-N 3.36Å; A130-E134 VanDerWaalsContact O-N 3.09Å
131L34.7Very low36.1Very low130 Ų130126.7 Ų126.768%0.68168%0.677SS**THydrogen-bonded Turntrans-62-19.3172.6-77.1168.4000113.4D127D127-L131 PolarHBondContact O-N 3.44Å
132A39.3Very low35.3Very low83 Ų83129 Ų12969%0.68669%0.685SS**THydrogen-bonded Turntrans-85.7-5.2171.600000113.8Q129 A130Q129-A132 WeakPolarHBondContact O-CB 3.36Å; Q129-A132 PolarHBondContact O-N 3.33Å; A130-A132 PolarHBondContact O-N 3.46Å; A130-A132 VanDerWaalsContact O-N 3.16Å
133L36.8Very low34.9Very low140 Ų140128.5 Ų128.573%0.73369%0.688SS**THydrogen-bonded Turntrans-115.2-23.2-177.2-72.4167.3000113.7A130 S135A130-L133 WeakPolarHBondContact O-CA 3.31Å; A130-L133 PolarHBondContact O-N 3.33Å; L133-S135 PolarHBondContact O-N 3.44Å
134E31.9Very low34.1Very low166 Ų166130 Ų13078%0.77670%0.704SS**  trans-7944.3-176.3-155.1170.1-132.400114.1A130A130-E134 PolarHBondContact O-N 3.36Å; A130-E134 VanDerWaalsContact O-N 3.09Å
135S31.2Very low33.2Very low116 Ų116131.9 Ų131.981%0.81171%0.709SS**SBendtrans-133.631.8173.4-75.10000113.2L133L133-S135 PolarHBondContact O-N 3.44Å
136R41Very low32.3Very low249 Ų249135.7 Ų135.794%0.9472%0.721SS**  trans-144.4100.8163.8-76.8-169.7169.7-173.6-3.2111.4
137G27Very low31.4Very low71 Ų71132.3 Ų132.373%0.73271%0.714SS**  trans-164.5129.5172.100000113.4
138M25.2Very low30.8Very low201 Ų201136.9 Ų136.999%0.9973%0.726SS**  trans60.1148.2178.2-50.6-56.7-176.400115.4
139G25.1Very low30.2Very low70 Ų70134.6 Ų134.672%0.72272%0.721SS**  cis156.5148.52.800000106.9
140E25Very low29.5Very low174 Ų174132.6 Ų132.681%0.81372%0.721SS**  cis-162.9-174.812.9-153.1-172.4-159.300110.1
141L26.3Very low29Very low149 Ų149137.6 Ų137.678%0.7874%0.741SS**  trans70.3102.9156.6-64.3168.4000121
142L27.1Very low28.7Very low162 Ų162138.5 Ų138.585%0.84874%0.742SS**  trans-62.7158.7151.4-70.6163.6000111.2
143P34.2Very low28Very low106 Ų106141.8 Ų141.869%0.68875%0.747SS**  -152.2146.484.937.8-18.4000118.3
144T24.4Very low27.6Very low129 Ų129138.5 Ų138.579%0.79174%0.74SS**  trans66.5153.7150.455.30000118.5
145K25Very low27.4Very low150 Ų150140.2 Ų140.265%0.65275%0.745SS**  cis-105.8173.322.4-72.6-174.8-179.9-177.70116.3N440 A441K145-N440 PolarHBondContact NZ-O 3.12Å; K145-A441 PolarHBondContact NZ-O 3.39Å
146K25.6Very low27.1Very low176 Ų176141.8 Ų141.877%0.76574%0.744SS**  trans-153.1164.1-167.2-160.6-163.4178-170.60107.9
147I25.9Very low26.3Very low108 Ų108132.9 Ų132.955%0.55473%0.73SS**  trans72.3136.5168.8-57.3160.7000111.8
148W25.7Very low26.3Very low163 Ų163139.8 Ų139.862%0.61773%0.734SS**  cis-115.9155.726.8-79.388.3000113.3P443 P444W148-P443 HydrophobicContact CZ2-CB 3.55Å; W148-P443 HydrophobicContact CZ2-CG 4.08Å; W148-P444 HydrophobicContact CH2-CB 4.41Å; W148-P444 HydrophobicContact CZ2-CB 3.95Å
149D23.3Very low26.4Very low119 Ų119139.3 Ų139.364%0.63673%0.726SS**  cis74.7140.319.7-101-50.5000115.7
150S27.1Very low26.5Very low76 Ų76138.9 Ų138.953%0.53172%0.722SS.*  cis-152.4166.60.2-53.60000110.5
151D27.5Very low26.5Very low152 Ų152139.2 Ų139.281%0.81373%0.726SS**  trans35.9156.5135.3-59-26.6000124.4
152E27.6Very low26.4Very low149 Ų149138.6 Ų138.670%0.69672%0.723SS**  cis-124.2-108.2-9.5-162.4-149118.900110.5A154E152-A154 WeakPolarHBondContact OE1-CB 3.45Å; E152-A154 PolarHBondContact OE1-N 3.47Å
153L26.1Very low26.2Very low151 Ų151138.3 Ų138.379%0.79172%0.721SS**  cis-142.8126.8-10.9179.559.8000111
154A27.3Very low25.8Very low71 Ų71136.4 Ų136.459%0.58772%0.721SS**  trans-84.2154.9-174.700000115.3E152E152-A154 WeakPolarHBondContact OE1-CB 3.45Å; E152-A154 PolarHBondContact OE1-N 3.47Å
155K27Very low25.9Very low203 Ų203135.7 Ų135.788%0.88371%0.708SS**  trans-159.1150.1147.1-117.4158.6-171166.40114
156D25.1Very low25.9Very low148 Ų148132 Ų13279%0.79169%0.694SS**  trans-57.6156.4-176-60.7-99.3000115.1
157G25.4Very low26Very low63 Ų63129.5 Ų129.565%0.64968%0.679SS**  cis135.3177.9-0.500000113.1
158R27Very low25.9Very low215 Ų215128.9 Ų128.981%0.81167%0.67SS**  trans68.3150179.9-55.6173.4178.3-155-4.1113.7
159K26.9Very low25.8Very low191 Ų191126.3 Ų126.383%0.8367%0.665SS**  cis-161149.9-14.5-101.2168-179.2-170.20103.7
160G26.4Very low25.8Very low62 Ų62127.2 Ų127.264%0.63967%0.67SS**  cis144.5152.44.700000109
161M24.8Very low25.7Very low181 Ų181128.1 Ų128.189%0.89268%0.682SS**  trans67.5154.5176.5-57.6157.660.700115.7
162L24.3Very low25.7Very low135 Ų135133.7 Ų133.771%0.70769%0.692SS**  cis-161.6169.9-20.8-108.9172000109.2
163L24.3Very low25.4Very low156 Ų156130.5 Ų130.582%0.81770%0.699SS**  trans-23.1160.7158.5-86.855.9000118
164G25.9Very low25.3Very low66 Ų66128.6 Ų128.668%0.6870%0.698SS**  cis-139.7-178.5-0.800000110.2
165E26.1Very low25.3Very low114 Ų114129.7 Ų129.753%0.53370%0.701SS.*  cis66.9133.225.9-124.6173.8-95.200114.5M1193E165-M1193 VanDerWaalsContact OE1-CE 3.26Å; E165-M1193 WeakPolarHBondContact OE1-CE 3.23Å; E165-M1193 WeakPolarHBondContact OE2-CA 3.41Å
166E24.2Very low25.2Very low73 Ų73127.8 Ų127.834%0.34170%0.695SS.*  trans88.8150.3153.3-60.6-173.3115.800123.1S1195 G1196 G1197E166-S1195 PolarHBondContact OE1-N 3.37Å; E166-G1196 VanDerWaalsContact CD-CA 3.45Å; E166-G1196 VanDerWaalsContact CD-N 3.3Å; E166-G1196 VanDerWaalsContact OE1-CA 3.26Å; E166-G1196 WeakPolarHBondContact OE1-CA 3.15Å; E166-G1196 PolarHBondContact OE1-N 3.43Å; E166-G1197 PolarHBondContact OE1-N 2.72Å; E166-G1197 WeakPolarHBondContact OE2-CA 2.81Å; E166-G1197 PolarHBondContact OE2-N 2.88Å
167W27.2Very low25.3Very low124 Ų124128.4 Ų128.447%0.4769%0.693SS.*  cis-168.2-169.2-38.3-129.988.6000110.8M1193 K1194W167-M1193 VanDerWaalsContact CD1-O 3.24Å; W167-M1193 PolarHBondContact NE1-O 2.87Å; W167-K1194 HydrophobicContact CE3-CD 4.16Å; W167-K1194 HydrophobicContact CH2-CD 3.44Å; W167-K1194 VanDerWaalsContact CH2-CD 3.44Å; W167-K1194 HydrophobicContact CH2-CG 3.96Å; W167-K1194 HydrophobicContact CZ2-CD 3.74Å; W167-K1194 HydrophobicContact CZ2-CG 3.68Å; W167-K1194 HydrophobicContact CZ3-CD 3.62Å; W167-K1194 HydrophobicContact CZ3-CG 4.36Å
168R25.5Very low25.3Very low95 Ų95130.5 Ų130.536%0.35870%0.698SS.*  trans78.6156.3163.1-56.3-67.7-169.9147.510.5115.8S1195 E1199R168-S1195 VanDerWaalsContact NE-C 3.35Å; R168-S1195 PolarHBondContact NE-O 2.64Å; R168-S1195 PolarHBondContact NH2-O 3.26Å; R168-E1199 IonicContact CZ-OE2 2.68Å; R168-E1199 IonicContact NH1-OE2 2.7Å; R168-E1199 IonicContact NH2-OE2 2.89Å; R168-E1199 PolarHBondContact NH2-OE2 2.74Å
169E22.8Very low25.2Very low109 Ų109126.3 Ų126.351%0.50970%0.696SS.*  cis-162179-34.7-123.1178.2-143.800110.9
170N24.3Very low25.2Very low138 Ų138121.5 Ų121.574%0.73869%0.687SS**  trans12.6148148.2-56-37.9000120.6
171A23.1Very low25.2Very low95 Ų95126.7 Ų126.779%0.78569%0.694SS**  cis-154.3-155.928.200000114
172W28.1Very low25.3Very low268 Ų268123.3 Ų123.3100%1.01569%0.686SS**  trans-90.8149.1-168.6-68.352.8000114.5
173G22.5Very low25.3Very low82 Ų82125.1 Ų125.185%0.84569%0.694SS**  trans-168.1152.2173.300000113.3
174S22.8Very low25.3Very low112 Ų112125.4 Ų125.478%0.78369%0.693SS**  trans-88.9137.6-161.5-1550000116.8
175S26.7Very low25.3Very low93 Ų93129.1 Ų129.165%0.6570%0.703SS**  trans63.9137.2141.7-54.20000124.2
176H25.3Very low25.2Very low164 Ų164131.2 Ų131.276%0.75971%0.712SS**  trans81.1159159.1-65.1-59.5000120.6
177H27.7Very low25.3Very low160 Ų160139.5 Ų139.574%0.74174%0.741SS**  trans-97.2153.7-147.4-34.1-82.5000112.4
178S25.9Very low25.2Very low108 Ų108144.4 Ų144.476%0.75576%0.759SS**  -175.2133.987-72.80000116.1
179V24.4Very low25.3Very low127 Ų127145.2 Ų145.277%0.7778%0.776SS**  63.4109.2129.6-171.70000122.5
180S27.7Very low25.5Very low90 Ų90143.6 Ų143.663%0.62979%0.789SS**  trans79119.6140.878.10000123.1
181Q25Very low25.6Very low170 Ų170146.1 Ų146.179%0.79480%0.797SS**  159.5136.1104.5-82.1-58.5-11.500111.2
182P26.4Very low25.7Very low111 Ų111144.4 Ų144.472%0.72179%0.788SS**PPolyproline II helixtrans-100.6134177.435.7-29000113.4
183I25.3Very low25.4Very low172 Ų172142 Ų14288%0.88279%0.785SS**PPolyproline II helixtrans-86128165.3-70.4178.2000109.5
184M24.4Very low25.5Very low162 Ų162147 Ų14780%0.79879%0.786SS**PPolyproline II helixtrans-77.2146.3175.5-61.7178.3-75.200111.8
185V25.9Very low25.7Very low145 Ų145145.4 Ų145.488%0.87979%0.787SS**  trans-111.4116155.3-1800000108.6
186Q23.9Very low25.6Very low157 Ų157148.9 Ų148.973%0.73480%0.798SS**PPolyproline II helixtrans-68.6143.7-176-68.8161.7-45.300112.2
187R27.3Very low25.8Very low248 Ų248143.7 Ų143.794%0.93679%0.789SS**PPolyproline II helixtrans-91126.5144.1-73.1-177.3174-113.6-0.5107.7
188R25Very low25.7Very low227 Ų227143.1 Ų143.186%0.85779%0.791SS**PPolyproline II helixtrans-80.5157.2169.2-97.6-162.3171.3-155.2-0.9111.1
189P27.2Very low25.7Very low111 Ų111143.7 Ų143.772%0.72179%0.791SS**  trans-110167.5-151.840.8-35.2000114.7
190G26.6Very low25.8Very low76 Ų76144.7 Ų144.778%0.78479%0.792SS**  trans-105.8125.8150.700000109.7
191Q26.5Very low25.7Very low191 Ų191145.5 Ų145.589%0.89380%0.798SS**  trans-80154.3164.8-69.9179.2-28.200109.3
192G25Very low25.8Very low58 Ų58143.6 Ų143.660%0.59880%0.797SS**  cis134.2162.3-0.500000111.5
193F22.6Very low25.7Very low217 Ų217146.3 Ų146.395%0.95281%0.805SS**  trans-168.7153148.8-117.3-82.8000108.7
194H24.6Very low26Very low189 Ų189143.7 Ų143.788%0.87580%0.801SS**  trans-124.8157.5-164.9-73.6-90.6000114.3
195G26.1Very low26.6Very low78 Ų78142.2 Ų142.280%0.80480%0.804SS**  trans174.8122.7161.700000111.2
196N25.9Very low26.7Very low166 Ų166146.4 Ų146.489%0.88880%0.804SS**  trans-153.8151.3-177.1-173.578.7000112.3
197G28.1Very low27Very low55 Ų55143.9 Ų143.957%0.56780%0.804SS**  trans101.7145.217000000114.3
198D25.4Very low27.1Very low147 Ų147142 Ų14279%0.78681%0.806SS**  cis-154.7171.8-10.7-102.8-45.6000111.1
199T26.4Very low27.4Very low120 Ų120135 Ų13574%0.73681%0.805SS**  trans-17.4145.9172.969.90000117.5
200N26.1Very low27.5Very low148 Ų148133.8 Ų133.879%0.79181%0.812SS**  cis-171.9129.431-153-7.8000111.4
201S26.2Very low27.5Very low108 Ų108133.9 Ų133.976%0.75581%0.813SS**  trans165.6122.1149.7-84.20000116.4
202V27.6Very low27.7Very low129 Ų129133.6 Ų133.678%0.78282%0.817SS**  trans42.8140.1138.7-145.40000122.7
203L24Very low28Very low169 Ų169134.2 Ų134.289%0.88582%0.823SS**  trans95141.2163.7-56179.7000118
204S30.9Very low28.2Very low116 Ų116131.1 Ų131.181%0.81182%0.822SS**  trans-93.4167.2-172.4-43.80000112.7
205P37.7Very low28.3Very low132 Ų132127.6 Ų127.686%0.85782%0.818SS**  -142.6177.6109.140.1-27.8000116.5
206R27.2Very low28.5Very low232 Ų232130.9 Ų130.988%0.87582%0.815SS**  trans-52.9149.7180-87.8178.6163.6124.6-5.9118.2
207S30Very low28.5Very low104 Ų104129.1 Ų129.173%0.72781%0.81SS**  61.3110.5129.6-56.90000121.3
208E30.2Very low28.5Very low208 Ų208133.7 Ų133.797%0.97282%0.816SS**  -120.6168.4120.9-78.1-149.1121.500109.5
209G31Very low28.7Very low82 Ų82136.3 Ų136.385%0.84582%0.817SS**  trans-160.2125.3175.500000112.5
210G28.8Very low28.8Very low84 Ų84136 Ų13687%0.86681%0.814SS**  trans166.4135.3175.600000111.3
211G28.3Very low28.9Very low79 Ų79135 Ų13581%0.81481%0.808SS**  trans112.8108170.300000115.9
212L29.5Very low28.8Very low184 Ų184135.7 Ų135.796%0.96381%0.813SS**  trans-34.4148.1154.5-51.8160000113.4
213G30.8Very low28.7Very low71 Ų71134.7 Ų134.773%0.73281%0.812SS**  cis132.971.52.200000113.8
214V26.8Very low28.8Very low153 Ų153132.2 Ų132.293%0.92781%0.808SS**  trans-140.3147.9164.6-171.30000108.8
215S28Very low29Very low114 Ų114133 Ų13380%0.79781%0.811SS**  trans-93132.5-175.6173.30000113.3
216M30.1Very low28.6Very low148 Ų148130.2 Ų130.273%0.72981%0.806SS**  trans-163.4144.6143.3-160.461.1178.400110.4
217V24.6Very low28.6Very low129 Ų129127.1 Ų127.178%0.78281%0.807SS**  trans173.4138.5144.61450000109.6
218E29.9Very low28.4Very low151 Ų151132.2 Ų132.271%0.70682%0.816SS**  trans-82.6171.6177.7-60.8162.996.500112.6
219Y28.5Very low28.2Very low202 Ų202131.6 Ų131.679%0.79282%0.816SS**  trans-131.8100.9174.3-116.4-86.1000114.5
220V28.7Very low28Very low114 Ų114137.1 Ų137.169%0.69182%0.819SS**  trans30103.3136-171.20000119.3
221L28.2Very low27.9Very low125 Ų125136.7 Ų136.765%0.65482%0.815SS**  48.4152.4127.8-57.4174.5000122.9
222S24.3Very low28.2Very low123 Ų123144 Ų14486%0.8682%0.818SS**  trans-148.4161.1165.1-69.80000109.6
223S26Very low28Very low109 Ų109146.1 Ų146.176%0.76282%0.815SS**  trans-139.3132.5-168.3-56.30000114.9
224S26Very low27.8Very low116 Ų116154.5 Ų154.581%0.81182%0.824SS**  trans67.9163.6149.8-52.90000119.2
225P35.5Very low27.9Very low132 Ų132154.5 Ų154.586%0.85782%0.819SS**  -133.2177.9-51.538.9-24.6000112.3
226G27.7Very low27.8Very low74 Ų74152.6 Ų152.676%0.76382%0.818SS**  trans-165137.7170.900000113.9
227D27.6Very low27.6Very low168 Ų168148.8 Ų148.890%0.89882%0.817SS**  trans-73.5163.2-175.8-71.1-67.8000114.7
228K26.6Very low27.7Very low211 Ų211153.8 Ų153.892%0.91782%0.823SS**  trans-126.6119.3158.1-75.8-170.7175.4-177.30110.3
229M25.8Very low27.6Very low195 Ų195150.4 Ų150.496%0.96183%0.829SS**  trans-97.2126173.4-159.3172.4-161.600108.8
230E27.3Very low27.5Very low197 Ų197144.8 Ų144.892%0.92183%0.833SS**  trans-93.1138.2179-170.3162.7-131.800111.1
231G26.8Very low27.4Very low76 Ų76142.9 Ų142.978%0.78484%0.836SS**  trans-155.870.7-164.900000115
232R32.6Very low27.3Very low233 Ų233144.1 Ų144.188%0.87984%0.843SS**  trans-113.1121149.9-70.5-162-167.8-155.79.2108.9
233Y27.3Very low27.6Very low227 Ų227144 Ų14489%0.8984%0.837SS**  trans177.2112.6140.8-93.8-56.8000111.4
234R26.1Very low27.6Very low247 Ų247145.4 Ų145.493%0.93284%0.836SS**  -167.1161124.1-136173.2-178.3-171.3-0.3111.6
235N27.9Very low27.8Very low153 Ų153147.2 Ų147.282%0.81883%0.832SS**  -159.7163-73.5-166.66000107.6
236G25.6Very low27.3Very low75 Ų75148.9 Ų148.977%0.77383%0.834SS**  trans144.9109.4157.500000115.9
237G25.6Very low27.4Very low68 Ų68148.4 Ų148.470%0.70183%0.829SS**  trans158.486.4170.100000114.1
238Y28.5Very low27.4Very low233 Ų233151 Ų15191%0.91483%0.826SS**  trans-20.4141166.7-57.8-97.5000116
239G26.7Very low27.5Very low81 Ų81147.3 Ų147.384%0.83581%0.812SS**  cis87.6128.431.700000110.5
240G25.8Very low27.7Very low84 Ų84142.7 Ų142.787%0.86679%0.787SS**  cis-179.1-174-1.800000111.1
241G27.9Very low27.8Very low74 Ų74138.8 Ų138.876%0.76378%0.782SS**  trans108.9151.9179.200000113.9
242D25.7Very low28Very low151 Ų151139 Ų13981%0.80776%0.764SS**  cis-161.1176.8-12.3-142.5-32000111.3
243T29.7Very low28.2Very low119 Ų119132.5 Ų132.573%0.7375%0.751SS**  trans62.489.8164.150.90000120
244D27.8Very low28.3Very low139 Ų139128.6 Ų128.674%0.74374%0.741SS**  56.6149.1105.7-100.915.3000125.9
245Q28.8Very low28.5Very low154 Ų154122.7 Ų122.772%0.7272%0.724SS**  trans79.8105145.4-76.4167.758.800121.8
246D26.2Very low28.5Very low167 Ų167123.3 Ų123.389%0.89372%0.719SS**  43.1140.4115.7-80.6-46.1000121.8
247G28.6Very low28.5Very low65 Ų65126 Ų12667%0.6772%0.72SS**  132.780.3119.300000120.4
248R28.9Very low28.9Very low221 Ų221127.5 Ų127.583%0.83472%0.72SS**  trans68.8160.6132.8-91.6175.1172.3-135.510.8122.5
249E27.9Very low29.3Very low134 Ų134121.6 Ų121.663%0.62671%0.71SS**  trans64.4103.5152-75.1155.5-145.900118.2
250K29.8Very low29.3Very low99 Ų99125.4 Ų125.443%0.4370%0.704SS.*  64.395.863.4-57.5-16497.2176.70114.1D562 T564K250-D562 WeakPolarHBondContact CE-OD1 3.33Å; K250-D562 IonicContact NZ-OD1 2.86Å; K250-D562 PolarHBondContact NZ-OD1 3.07Å; K250-D562 IonicContact NZ-OD2 3.61Å; K250-D562 PolarHBondContact NZ-OD2 3.42Å; K250-T564 HydrophobicContact CB-CG2 3.8Å; K250-T564 WeakPolarHBondContact CE-OG1 3.37Å; K250-T564 HydrophobicContact CG-CG2 4.15Å
251S28.9Very low29.5Very low115 Ų115129.2 Ų129.280%0.80470%0.699SS**  trans166.2149.5130.3-73.30000110.7
252D32.3Very low29.7Very low79 Ų79132.7 Ų132.742%0.42270%0.696SS.*  cis167.6166.2-24-141.9-52.6000106.8Q563D252-Q563 VanDerWaalsContact OD1-CB 3.24Å; D252-Q563 WeakPolarHBondContact OD1-CB 3.32Å; D252-Q563 VanDerWaalsContact OD1-CD 3.25Å; D252-Q563 WeakPolarHBondContact OD1-CG 3.32Å; D252-Q563 PolarHBondContact OD1-NE2 3.45Å
253V36.1Very low30Very low98 Ų98131.3 Ų131.359%0.59469%0.688SS**  trans76.7106153.3174.10000122
254Q28.8Very low29.9Very low145 Ų145132.2 Ų132.268%0.67868%0.682SS**  trans71.7132.2130.5-74.8176.7-116.100127.2
255E31Very low30Very low123 Ų123130.9 Ų130.958%0.57568%0.684SS**  83.1108.4129.5-76.2-169.3117.800124.6
256K27.6Very low31Very low165 Ų165128.8 Ų128.872%0.71768%0.683SS**  77.3125.5119.7-79.2-179-177.3156.70122.1
257V26Very low31.1Very low131 Ų131128.6 Ų128.679%0.79468%0.677SS**  trans82.2103.8133.8176.70000118.2
258S33.1Very low31.1Very low100 Ų100133.4 Ų133.470%0.69968%0.684SS**  trans-21.6156.1148.3-169.20000117.9
259P37.3Very low31.1Very low110 Ų110132.2 Ų132.271%0.71469%0.685SS**  -142144.6108.137.7-25.3000117.2
260F28Very low31.1Very low160 Ų160132.4 Ų132.470%0.70270%0.695SS**  trans62130.7141.9-83.9-118.8000120.7
261E29.8Very low31.1Very low164 Ų164130.4 Ų130.477%0.76670%0.703SS**  63.3149.391.3-61.5-171.2175.300114.7
262E31.8Very low31Very low147 Ų147133.8 Ų133.869%0.68771%0.706SS**  cis-154.7154.75.8-149.1-106.7-172.200105.2K264E262-K264 IonicContact OE1-NZ 3.67Å; E262-K264 PolarHBondContact OE1-NZ 2.81Å; E262-K264 IonicContact OE2-NZ 3.12Å; E262-K264 PolarHBondContact OE2-NZ 2.93Å
263D30.7Very low30.8Very low122 Ų122136.2 Ų136.265%0.65272%0.719SS**  cis-175.9-166.7-19.1174.930.6000106.7
264K29.2Very low30.5Very low138 Ų138137.7 Ų137.760%0.672%0.723SS**  trans77117158-71.6160.6-159.265.70120.1E262E262-K264 IonicContact OE1-NZ 3.67Å; E262-K264 PolarHBondContact OE1-NZ 2.81Å; E262-K264 IonicContact OE2-NZ 3.12Å; E262-K264 PolarHBondContact OE2-NZ 2.93Å
265S28.5Very low30.5Very low111 Ų111137.8 Ų137.878%0.77673%0.728SS**  trans-63.7178.7148.6-37.70000111.6
266P50.3Low31.5Very low110 Ų110136.6 Ų136.671%0.71473%0.732SS**  cis-145.1-158.112.142.4-19.9000116.4
267E28.2Very low31.8Very low163 Ų163133.1 Ų133.176%0.76273%0.734SS**  trans103.6110.9145.5-93.8-177.1112.800123.9
268M29.1Very low32.1Very low167 Ų167136.6 Ų136.682%0.82374%0.738SS**  trans34.4125.6136.4-65.3-166.2-176.600123.8
269K28.6Very low31.9Very low196 Ų196137.6 Ų137.685%0.85275%0.745SS**  -165126117.3-103170.5179.4177.50109.3
270V28.5Very low31.7Very low137 Ų137140.4 Ų140.483%0.8375%0.754SS**  89.4136.374.9165.10000113.4
271G29.8Very low31.9Very low58 Ų58136.2 Ų136.260%0.59876%0.756SS**  trans112115.6-174.700000110.6
272E26.6Very low32Very low185 Ų185140.8 Ų140.886%0.86477%0.766SS**  71.7135.762-69.7176.794.400113.7
273D28.3Very low31.8Very low131 Ų131136.8 Ų136.870%0.70177%0.765SS**  cis-165173.6-23.5-152.4-11.3000110.1
274N28.4Very low31.9Very low128 Ų128138.9 Ų138.968%0.68478%0.775SS**  trans34.2106.6159.1-74.3-69.9000121.8
275D29.2Very low31.8Very low147 Ų147138.4 Ų138.479%0.78678%0.778SS**  44-173.6102.7-135.425.3000120.5
276P52.4Low32.1Very low99 Ų99140.5 Ų140.564%0.64378%0.781SS**  -130.7161.8-107.142.1-25.3000119.4
277A34.2Very low31.1Very low92 Ų92138.8 Ų138.876%0.7678%0.783SS**  trans72.6151.8145.500000122.6
278K33Very low31.2Very low203 Ų203139.9 Ų139.988%0.88379%0.791SS**  trans68.4127.5167.7-61.5177.2179.9172.20119.2
279S27.3Very low31.3Very low122 Ų122138.8 Ų138.885%0.85379%0.788SS**  179.7170.6112.248.60000112.3
280N34.2Very low31.6Very low169 Ų169140.5 Ų140.590%0.90479%0.789SS**  trans-119.1124.3-176.2-100.8-22000112.1
281G31.6Very low32.1Very low72 Ų72140 Ų14074%0.74278%0.781SS**  trans86.8154.2136.900000120.8
282R31.7Very low32.1Very low259 Ų259142.1 Ų142.198%0.97779%0.786SS**  trans70.2146.2-176.2-55.3179.8176.4-901.5114.3
283G27.8Very low32.4Very low63 Ų63142.1 Ų142.165%0.64978%0.783SS**  cis166.2-177.8-5.800000111.7
284L32.4Very low32.3Very low166 Ų166141.9 Ų141.987%0.86978%0.782SS**  trans76.1152.4177-49.5178.4000114.8
285L27.9Very low32.3Very low129 Ų129145.3 Ų145.368%0.67579%0.791SS**  cis-160.9150.2-6.1-118.6165.5000110.9
286N33.8Very low32.8Very low155 Ų155144.4 Ų144.483%0.82979%0.787SS**  trans56.8139.8166-60.7-18.4000118.5
287G30.8Very low31.7Very low74 Ų74145 Ų14576%0.76379%0.79SS**  cis-162.1-150-1.400000108.4
288M28.9Very low31.9Very low186 Ų186147.6 Ų147.692%0.91679%0.79SS**  cis-162.5174.5-7.9-145.8169.4-173.400109.2
289D31.9Very low31.9Very low143 Ų143143.7 Ų143.777%0.76579%0.785SS**  trans-90.7153.7-156.4-47.1-96.4000118
290R34.9Very low31.9Very low233 Ų233141.7 Ų141.788%0.87978%0.784SS**  -156.4107.4126-128.2179.3179.7170.23.9116.2
291D38.5Very low31.7Very low125 Ų125139 Ų13967%0.66878%0.778SS**  trans46.2124.6138.8-73.8-59.7000123.3
292C30.9Very low31.5Very low103 Ų103146.7 Ų146.770%0.69679%0.785SS**  trans68.1138.8135.5-67.40000119.1
293K32Very low31.1Very low185 Ų185142.7 Ų142.780%0.80478%0.777SS**  cis-153161.420.1-136.7162.5-169.7172.40113.4
294D27.5Very low30.9Very low127 Ų127143.8 Ų143.868%0.67978%0.775SS**  trans-59.4149.7176.2-41.4-101.1000112.8
295F27.8Very low30.7Very low200 Ų200138 Ų13888%0.87775%0.749SS**  -177.3122.4100.6-107.1-81.2000111.9
296N38.5Very low30.9Very low128 Ų128138 Ų13868%0.68476%0.756SS**  trans-86.4140.6156.8-157.30.8000106
297P30.8Very low30.9Very low111 Ų111133.5 Ų133.572%0.72173%0.734SS**  -153.5149.384.538.3-18.5000118
298I38.8Very low31.1Very low146 Ų146137.7 Ų137.775%0.74973%0.734SS**  trans-43131.1150.9-62.8154.9000110.5
299P32.3Very low31.4Very low122 Ų122131 Ų13179%0.79271%0.708SS**  -156.3160.684.840.7-20.9000118.6
300G26.9Very low31.5Very low80 Ų80128.8 Ų128.883%0.82570%0.7SS**  trans172.5109.316400000114.7
301S29.7Very low31.6Very low111 Ų111120.8 Ų120.878%0.77667%0.673SS**  trans-107.6124.2175.753.10000112.5
302R27.3Very low31.3Very low235 Ų235123.3 Ų123.389%0.88767%0.673SS**  trans174.7136.2161.1-89.4138.5-158.9-120.92.5106
303Q24.1Very low31Very low174 Ų174126.1 Ų126.181%0.81368%0.678SS**  51.6133.271.2-75.1-171.8-27.500113.7
304S23.4Very low30.5Very low86 Ų86120.8 Ų120.860%0.60168%0.675SS**  cis-165.7178.3-13.138.30000108.3Q631S304-Q631 VanDerWaalsContact CB-OE1 3.3Å
305S27.1Very low31.3Very low46 Ų46120.5 Ų120.532%0.32268%0.68SS.*  trans-60.5160-176.1-52.50000115.4Q630 Q631S305-Q630 PolarHBondContact OG-O 3.46Å; S305-Q631 WeakPolarHBondContact OG-CA 3.47Å; S305-Q631 WeakPolarHBondContact OG-CB 3.26Å; S305-Q631 PolarHBondContact OG-N 3.44Å
306P34.1Very low31.1Very low128 Ų128118 Ų11883%0.83168%0.681SS**  trans-77.3144168.132.7-34.7000112.1
307T33.4Very low30.7Very low60 Ų60120.4 Ų120.437%0.36869%0.688SS.*  trans-148.4149.6170.5-22.70000112.4Q632 A633T307-Q632 PolarHBondContact OG1-O 3.41Å; T307-A633 WeakPolarHBondContact CB-O 3.3Å; T307-A633 PolarHBondContact OG1-N 3.46Å; T307-A633 PolarHBondContact OG1-O 3.46Å
308E34.3Very low31.3Very low162 Ų162122.1 Ų122.176%0.75770%0.697SS**  -144.3147.6122-74.9-157.1129.700106.6P634 P635E308-P634 WeakPolarHBondContact CA-O 3.47Å; E308-P635 VanDerWaalsContact OE1-CD 3.29Å; E308-P635 WeakPolarHBondContact OE1-CD 3.34Å
309A34.8Very low30.9Very low46 Ų46118.4 Ų118.438%0.3869%0.694SS.*  cis-134.6-160.5-6.900000109.6P634 P635A309-P634 VanDerWaalsContact CA-C 3.42Å; A309-P634 VanDerWaalsContact CA-O 3.27Å; A309-P634 WeakPolarHBondContact CA-O 3.22Å; A309-P635 WeakPolarHBondContact CB-O 3.27Å
310V34.8Very low30.9Very low97 Ų97120 Ų12059%0.58870%0.695SS**  cis-142.3-179.819164.40000109.7P636V310-P636 HydrophobicContact CG1-CG 4.1Å
311E36Very low30.9Very low65 Ų65124.8 Ų124.830%0.30470%0.696SS.*  trans-93.7170.1-178.1-81.6-171.4141.100115.2P634 P635E311-P634 HydrophobicContact CG-CB 4.08Å; E311-P635 HydrophobicContact CG-CB 3.7Å
312R33.1Very low30.7Very low177 Ų177127 Ų12767%0.66870%0.697SS**  cis-150165.18.3-135.8163.4-151.3170.123.4114.5
313M23.6Very low30.6Very low163 Ų163124 Ų12480%0.80370%0.695SS**  trans-21.4158160.6-55.6154.3-156.600118.1
314G23Very low30.7Very low72 Ų72119 Ų11974%0.74269%0.689SS**  cis176.5-171.65.900000113.6
315P43.2Very low30.9Very low121 Ų121122.9 Ų122.979%0.78670%0.698SS**  trans-107.5164.4-167.939.6-34.2000115.1
316T23.9Very low30.9Very low148 Ų148127.4 Ų127.491%0.90871%0.714SS**  trans-168.2162.8133.110.40000112.1
317Q30.6Very low30.6Very low179 Ų179129.2 Ų129.284%0.83671%0.711SS**  trans-89.5174.5173.7-71.7176.6-31.300112
318T43.3Very low31.2Very low146 Ų146131.3 Ų131.390%0.89673%0.725SS**SBendtrans-43.7139.5159.545.40000112.2
319G31Very low31Very low68 Ų68132.1 Ų132.170%0.70173%0.729SS**  trans-119.9-165.3-158.500000118.4
320L31.2Very low30.7Very low155 Ų155135.4 Ų135.481%0.81274%0.744SS**  trans75.7119.8-178.9-80.181.6000118.4
321E26.7Very low30.4Very low181 Ų181137.4 Ų137.485%0.84675%0.751SS**  trans63.1151142.8-57.8177.1158.500121.6
322M25.8Very low29.9Very low159 Ų159141.3 Ų141.378%0.78377%0.769SS**  -164.4140.3-53.3-170.3-179.6169.600108.4
323M26.1Very low29.6Very low171 Ų171139.4 Ų139.484%0.84277%0.768SS**  trans72.3142.4161-124.661.8177.700120.7
324G25.5Very low29.7Very low68 Ų68139.9 Ų139.970%0.70177%0.768SS**  trans118.264.3166.700000116.2
325Q26.6Very low29.6Very low168 Ų168143.7 Ų143.779%0.78577%0.771SS**  80.5110.795.8-77.2-143.6-11.200119
326H26.8Very low29.8Very low142 Ų142143 Ų14366%0.65777%0.767SS**  trans60.3114.5142.5-67.2-102.3000124.5
327H28.9Very low30Very low165 Ų165140.1 Ų140.176%0.76476%0.758SS**  trans68.7163.3131.5-74.270.6000120.4
328P46.8Very low29.8Very low104 Ų104140 Ų14068%0.67576%0.757SS**  cis-139.3165-26.537-18.8000117.1
329H30.2Very low29.1Very low179 Ų179139.1 Ų139.183%0.82975%0.747SS**  trans49.2142.6142.7-85.8-81.8000126.6
330V27.8Very low28.7Very low115 Ų115144.4 Ų144.470%0.69775%0.751SS**  116.1124124.7134.30000123
331L28Very low28.7Very low139 Ų139143.2 Ų143.273%0.72875%0.75SS**  trans63.2160.7156.4-65.9172.7000120.6
332Q26.2Very low29.4Very low147 Ų147140.1 Ų140.169%0.68775%0.745SS**  cis-149.8144.614.4-163138.3-10.100117.3
333Q27.1Very low29.5Very low138 Ų138138.8 Ų138.865%0.64574%0.742SS**  trans23.4130.3152.2-70.4164.8-25.300127.5
334Q25Very low29.4Very low172 Ų172138 Ų13880%0.80474%0.736SS**  40.6130.4121-62.6174.4-51.100124.9
335N21.9Very low29.4Very low153 Ų153140.9 Ų140.982%0.81874%0.735SS**  32.6156.7119-121.615.3000121.7
336P47Very low29.4Very low106 Ų106140.8 Ų140.869%0.68873%0.732SS**  cis-145.6-178.46.744.7-25.3000119.1
337A27.3Very low29.4Very low87 Ų87141.3 Ų141.372%0.71974%0.735SS**  trans92.4138.913800000125.4
338Q27.2Very low29.2Very low176 Ų176138 Ų13882%0.82273%0.73SS**  trans84.7116.4141.7-83.5-177.8-4.900126
339N27.2Very low28.2Very low128 Ų128141 Ų14168%0.68474%0.735SS**  68.2123.7128.2-82-21.9000126.3
340K23.9Very low28Very low179 Ų179140.6 Ų140.678%0.77873%0.734SS**  53.3114.6127.2-68.3-170.7172.8-169.40123.8
341V29.7Very low28Very low130 Ų130140 Ų14079%0.78874%0.741SS**  20125.6105.6-173.10000116.5
342P43.3Very low28Very low116 Ų116142.2 Ų142.275%0.75375%0.748SS**  -159.3157.777.842.9-21.9000121.7
343N26.3Very low28.1Very low132 Ų132142 Ų14271%0.70675%0.751SS**  trans38.2161136.3-99.730.6000128.4
344E25.3Very low27.9Very low155 Ų155144.1 Ų144.172%0.72476%0.763SS**  trans90.487.9142.4-82.3150.2-124.400122.8
345D25.1Very low27.9Very low127 Ų127139 Ų13968%0.67976%0.757SS**  62.3142.7104-76-63.3000126
346F26.9Very low28.1Very low166 Ų166135.5 Ų135.573%0.72876%0.757SS**  trans72149.1146.5-87.2-132000119
347Q26.4Very low27.1Very low154 Ų154138.8 Ų138.872%0.7277%0.765SS**  cis-161.7177-7.4-148179.74.500111.6
348S24.3Very low27.1Very low94 Ų94141.9 Ų141.966%0.65777%0.765SS**  trans84.893.1147.7-58.70000122.8
349Q26.5Very low27.1Very low168 Ų168142.7 Ų142.779%0.78577%0.768SS**  33.5146.2122.4-100.4171.4-81.900125.5
350E25.9Very low27.1Very low170 Ų170140.1 Ų140.179%0.79477%0.772SS**  trans84.3118.1141.8-82171.7-167.800122.9
351A27.6Very low27.3Very low103 Ų103137.1 Ų137.185%0.85178%0.78SS**  trans-149.4139.9147.900000108.7
352Q28.4Very low27.1Very low186 Ų186134.1 Ų134.187%0.86978%0.776SS**  trans-129143.8174.3-95.2-160.38.600112.2
353N27.3Very low26.3Very low143 Ų143135.5 Ų135.577%0.76578%0.782SS**  trans62.5109.1145.2-165.217.6000119.9
354M24.4Very low26.2Very low182 Ų182137.7 Ų137.790%0.89779%0.788SS**  -158.8151.1127-106.7-72.4-84.900108.2
355G24.7Very low26.1Very low65 Ų65135.1 Ų135.167%0.6779%0.787SS**  trans-157.6170.9-176.700000114.5
356G26.4Very low26Very low79 Ų79136 Ų13681%0.81479%0.791SS**  trans88.9111.7167.200000116.5
357M24.7Very low25.7Very low175 Ų175136.1 Ų136.186%0.86279%0.794SS**  -153.4158.5121.8-148.762.4-162.100109.9
358E27.1Very low25.7Very low152 Ų152137 Ų13771%0.7180%0.796SS**  trans-88.4157.9-166.6-54.915994.100114.3
359Q27.1Very low25.6Very low193 Ų193139.4 Ų139.490%0.90280%0.801SS**  165.8148.8104.7-87-175.11800112.2
360G27.9Very low25.6Very low73 Ų73140.9 Ų140.975%0.75380%0.801SS**  trans134.196.2152.500000118.3
361A28.3Very low25.7Very low116 Ų116136.8 Ų136.896%0.95980%0.796SS**  trans61.2158.9155.500000119.9
362G25.1Very low25.8Very low68 Ų68134.9 Ų134.970%0.70179%0.786SS**  trans-163.6156.3171.300000111.1
363V27.1Very low25.7Very low145 Ų145132.9 Ų132.988%0.87978%0.782SS**  trans-158.7175171.1-103.50000110.3
364E23.1Very low25.4Very low178 Ų178133 Ų13383%0.83278%0.778SS**  trans-72.4145.1-163.7-64.7149.2102.100117.2
365S23Very low25.6Very low101 Ų101131.1 Ų131.171%0.70677%0.77SS**  46.9150.4120.5-141.70000123.6
366L23.4Very low25.4Very low146 Ų146135.5 Ų135.576%0.76477%0.773SS**  trans69.4160.3165.4-53.7171.9000117
367Q20.3Very low25.4Very low167 Ų167137.1 Ų137.178%0.7877%0.767SS**  cis-158.8167.9-38.5-179.3159.1-44.300108.7
368F27Very low25.3Very low174 Ų174135.3 Ų135.376%0.76376%0.76SS**  trans-46.8150.9173.1-81.9-109.9000116.4
369D22.9Very low25.3Very low144 Ų144132.7 Ų132.777%0.7776%0.759SS**  169.8164.5116.5-90.8-16.2000111.4
370Y26.3Very low25.2Very low199 Ų199129.6 Ų129.678%0.7876%0.759SS**  cis-165.6-177.9-38.5-152.8-99.8000108
371A28.2Very low25.1Very low84 Ų84130.1 Ų130.169%0.69476%0.764SS**  trans71141.3160.600000117.8
372G28.2Very low24.9Very low62 Ų62131.1 Ų131.164%0.63976%0.758SS**  cis97.3126.2-4.300000114.8
373N26.2Very low25.5Very low145 Ų145133.2 Ų133.278%0.77576%0.76SS**  trans179.3157.6168.3-93.5-15.5000108.2
374Q22.7Very low25.5Very low145 Ų145133.5 Ų133.568%0.67876%0.761SS**  cis-162.1156.1-25.6-114.7177.849.300105.3
375I27Very low25.6Very low142 Ų142128 Ų12873%0.72875%0.753SS**  166.5122.4102.1-82.6-177.2000103.6
376Q22.2Very low25.8Very low157 Ų157131.8 Ų131.873%0.73476%0.764SS**  64.7139.584.5-98.9-176.4800114.1
377V26.4Very low26.1Very low114 Ų114135.3 Ų135.369%0.69177%0.774SS**  cis-151.3163.91.5-145.80000111.2
378D22.5Very low26.5Very low136 Ų136134.3 Ų134.373%0.72777%0.773SS**  trans68.1114.3143.6-93.5-49.9000126
379S26.4Very low26.8Very low98 Ų98137 Ų13769%0.68578%0.78SS**  63.3128.3119.4-67.30000125.5
380S24.7Very low27.3Very low128 Ų128135.3 Ų135.390%0.89578%0.78SS**  trans79.8107.315473.70000119.4
381G26.7Very low27.3Very low83 Ų83131 Ų13186%0.85678%0.779SS**  trans156.5100.3168.900000114.5
382T24.1Very low27.4Very low138 Ų138136.4 Ų136.485%0.84779%0.79SS**  trans-74.6153.615947.40000110
383P37.2Very low27.6Very low112 Ų112142.6 Ų142.673%0.72780%0.802SS**  cis-148.5-177.431.746.3-27.5000117.8
384V26.3Very low27.9Very low150 Ų150144.9 Ų144.991%0.90981%0.808SS**  trans54.1115.8161.8-165.30000119.5
385G25.1Very low28.2Very low64 Ų64145.4 Ų145.466%0.6682%0.815SS**  trans171127.7157.200000114.1
386L29.1Very low28.3Very low180 Ų180148.6 Ų148.694%0.94282%0.824SS**  trans31.8131.3165.4-81.464.4000120.5
387F29.1Very low28.9Very low220 Ų220150.6 Ų150.697%0.96583%0.833SS**  trans-101.9134.7160.7-94-84.6000110.8
388D28.3Very low28.9Very low145 Ų145156.5 Ų156.578%0.77584%0.843SS**  trans-109.7161.3-177.7-160.1-0.3000112.1S390D388-S390 PolarHBondContact O-N 3.02Å
389Y32.4Very low29.2Very low232 Ų232154.3 Ų154.391%0.9184%0.838SS**SBendtrans-106.361.5-152.1-141.3-84.3000114.3
390S33.8Very low29.4Very low108 Ų108155.9 Ų155.976%0.75584%0.839SS**  trans-14038.4-169.655.60000116.7D388D388-S390 PolarHBondContact O-N 3.02Å
391S26.6Very low30Very low109 Ų109155.8 Ų155.876%0.76284%0.835SS**  trans-146.358.8-17958.50000117.7
392Q30.9Very low30.4Very low197 Ų197158.3 Ų158.392%0.92183%0.828SS**  trans-156.474.4155.3-130.2169.677.500115.6
393Q32.8Very low31.4Very low192 Ų192156.7 Ų156.790%0.89782%0.818SS**  trans-126160.8151.7-70.6-166.18.400109.3
394Q30.9Very low31.6Very low192 Ų192156.8 Ų156.890%0.89782%0.816SS**  trans63.766.3-177-55.4-1684.300116.7
395L30.2Very low32.4Very low157 Ų157157.7 Ų157.782%0.82281%0.811SS**  trans-145.534.9152.8-129171.8000115.1
396F28.2Very low33.2Very low209 Ų209162 Ų16292%0.91781%0.814SS**  trans-147.778163.5-93.7-66.7000112.8
397Q35.5Very low33.9Very low198 Ų198159.9 Ų159.993%0.92580%0.803SS**  trans-125.596.4153.5-83.9-157.235.200109.8
398R25.9Very low34.8Very low238 Ų238153.5 Ų153.590%0.89878%0.782SS**  trans-165.3106.4151.2-116.2178.4179-169.6-1.5113.1
399S29.5Very low35.7Very low90 Ų90149.1 Ų149.163%0.62977%0.766SS**  trans31.6118.2139.4590000120.6
400N29.6Very low36.3Very low132 Ų132140.6 Ų140.671%0.70674%0.743SS**  -166.6116.5104.5-107.6-10.5000113.6L402N400-L402 PolarHBondContact O-N 2.77Å
401P37.5Very low36.9Very low125 Ų125142.6 Ų142.681%0.81274%0.741SS**THydrogen-bonded Turntrans-92.355.7-174.938.4-37000113.1
402L35.8Very low37.9Very low136 Ų136144.3 Ų144.371%0.71274%0.737SS**THydrogen-bonded Turntrans-130.5-11.6-173.9-101.7161.5000116N400N400-L402 PolarHBondContact O-N 2.77Å
403T44.1Very low38.8Very low104 Ų104142.1 Ų142.164%0.63873%0.726SS**SBendtrans-91.6-26.6-174.647.50000114.5L407T403-L407 PolarHBondContact O-N 2.82Å
404V43.2Very low39.6Very low114 Ų114140.5 Ų140.569%0.69172%0.719SS**Hα-helixtrans-65.7-46.9-176178.90000111.6Q406 L407 T408V404-Q406 VanDerWaalsContact C-N 3.29Å; V404-Q406 PolarHBondContact O-N 3.46Å; V404-L407 PolarHBondContact O-N 2.97Å; V404-T408 PolarHBondContact O-N 3.09Å; V404-T408 PolarHBondContact O-OG1 3.38Å
405Q42.2Very low40.1Very low170 Ų170141 Ų14179%0.79471%0.714SS**Hα-helixtrans-68.7-28-176-162.1164.331.400112.9A409Q405-A409 PolarHBondContact O-N 3.32Å
406Q42.3Very low40.6Very low154 Ų154136.6 Ų136.672%0.7270%0.7SS**Hα-helixtrans-75.8-29.2177.1-154.9170.530.700112.3V404 A410V404-Q406 VanDerWaalsContact C-N 3.29Å; V404-Q406 PolarHBondContact O-N 3.46Å; Q406-A410 PolarHBondContact O-N 2.71Å
407L43.8Very low41.5Very low135 Ų135133.4 Ų133.471%0.70769%0.692SS**Hα-helixtrans-72-40.4175.8-137.277.2000112.1T403 V404 A409 A410 Q411T403-L407 PolarHBondContact O-N 2.82Å; V404-L407 PolarHBondContact O-N 2.97Å; L407-A409 VanDerWaalsContact C-N 3.34Å; L407-A409 PolarHBondContact O-N 3.26Å; L407-A410 PolarHBondContact O-N 3.04Å; L407-Q411 PolarHBondContact O-N 2.81Å; L407-Q411 VanDerWaalsContact O-N 3.17Å
408T47.9Very low41.9Very low86 Ų86128 Ų12853%0.52868%0.682SS.*Hα-helixtrans-62.5-41.1176.2-45.30000111.7V404 Q411 Q412V404-T408 PolarHBondContact O-N 3.09Å; V404-T408 PolarHBondContact O-OG1 3.38Å; T408-Q411 PolarHBondContact O-N 2.67Å; T408-Q412 PolarHBondContact O-N 3.45Å
409A47Very low42.6Very low53 Ų53120.9 Ų120.944%0.43867%0.673SS.*Hα-helixtrans-62.7-41.6176.800000112.7Q405 L407 Q412 Q413Q405-A409 PolarHBondContact O-N 3.32Å; L407-A409 VanDerWaalsContact C-N 3.34Å; L407-A409 PolarHBondContact O-N 3.26Å; A409-Q412 PolarHBondContact O-N 3.25Å; A409-Q413 PolarHBondContact O-N 3.06Å
410A44.1Very low43.1Very low53 Ų53120.3 Ų120.344%0.43867%0.674SS.*Hα-helixtrans-64.8-42.9178.600000112.4Q406 L407 Q412 Q413Q406-A410 PolarHBondContact O-N 2.71Å; L407-A410 PolarHBondContact O-N 3.04Å; A410-Q412 VanDerWaalsContact C-N 3.32Å; A410-Q412 PolarHBondContact O-N 3.19Å; A410-Q413 PolarHBondContact O-N 3.37Å
411Q46.5Very low43.6Very low150 Ų150123 Ų12370%0.70168%0.682SS**Hα-helixtrans-68-32.5-179.5-163.8168.430.400112.4L407 T408L407-Q411 PolarHBondContact O-N 2.81Å; L407-Q411 VanDerWaalsContact O-N 3.17Å; T408-Q411 PolarHBondContact O-N 2.67Å
412Q48.6Very low43.8Very low146 Ų146126 Ų12668%0.68269%0.685SS**Hα-helixtrans-71.9-32.5178.4-146.9169.424.900112.5T408 A409 A410 Q414 Y415 A416T408-Q412 PolarHBondContact O-N 3.45Å; A409-Q412 PolarHBondContact O-N 3.25Å; A410-Q412 VanDerWaalsContact C-N 3.32Å; A410-Q412 PolarHBondContact O-N 3.19Å; Q412-Q414 VanDerWaalsContact C-N 3.34Å; Q412-Q414 PolarHBondContact O-N 2.88Å; Q412-Y415 PolarHBondContact O-N 2.83Å; Q412-A416 PolarHBondContact O-N 3.45Å
413Q49.4Very low43.8Very low150 Ų150128 Ų12870%0.70169%0.691SS**Hα-helixtrans-68.7-27.3177-74.6-172-17.600113.7A409 A410 A416 L417A409-Q413 PolarHBondContact O-N 3.06Å; A410-Q413 PolarHBondContact O-N 3.37Å; Q413-A416 PolarHBondContact O-N 3.34Å; Q413-L417 PolarHBondContact O-N 2.9Å
414Q48.8Very low43.1Very low159 Ų159131.9 Ų131.974%0.74370%0.702SS**Hα-helixtrans-74.3-25.2176.2-67.2-169.8-83.300113.5Q412Q412-Q414 VanDerWaalsContact C-N 3.34Å; Q412-Q414 PolarHBondContact O-N 2.88Å
415Y41.4Very low42.4Very low201 Ų201134.8 Ų134.879%0.78871%0.713SS**Hα-helixtrans-79.1-31.4172.1-116.4-90.5000112.7Q412Q412-Y415 PolarHBondContact O-N 2.83Å
416A42.5Very low41.7Very low65 Ų65131.9 Ų131.954%0.53772%0.717SS.*Hα-helixtrans-66.4-37.4177.300000113.1Q412 Q413 A418 A419Q412-A416 PolarHBondContact O-N 3.45Å; Q413-A416 PolarHBondContact O-N 3.34Å; A416-A418 VanDerWaalsContact C-N 3.34Å; A416-A418 PolarHBondContact O-N 2.76Å; A416-A419 PolarHBondContact O-N 2.73Å
417L46.8Very low40.9Very low143 Ų143127.9 Ų127.975%0.74972%0.717SS**Hα-helixtrans-70-29.3-177.1-148.779.5000113.2Q413 A419 A420Q413-L417 PolarHBondContact O-N 2.9Å; L417-A419 VanDerWaalsContact C-N 3.34Å; L417-A420 PolarHBondContact O-N 2.74Å
418A42.7Very low40.2Very low85 Ų85130.2 Ų130.270%0.70273%0.73SS**Hα-helixtrans-72.5-24.8178.200000113.3A416A416-A418 VanDerWaalsContact C-N 3.34Å; A416-A418 PolarHBondContact O-N 2.76Å
419A40.8Very low39.2Very low87 Ų87130.5 Ų130.572%0.71974%0.741SS**THydrogen-bonded Turntrans-82.5-12.9176.700000113.5A416 L417A416-A419 PolarHBondContact O-N 2.73Å; L417-A419 VanDerWaalsContact C-N 3.34Å
420A40.1Very low38.9Very low78 Ų78133.8 Ų133.865%0.64576%0.757SS**SBendtrans-89.5-3.3-169.400000115.2L417L417-A420 PolarHBondContact O-N 2.74Å
421Q40.9Very low38.1Very low188 Ų188135.4 Ų135.488%0.87977%0.771SS**SBendtrans-108.429.4-174.7-149.6-176.8-2.600114.7
422Q40Very low37Very low188 Ų188138.4 Ų138.488%0.87978%0.782SS**SBendtrans-137.127.3172.8-142173.214.800115.6
423Q35.9Very low36.1Very low180 Ų180137.3 Ų137.384%0.84179%0.785SS**  trans-131.386.1164.3-75.2-162.5-16.700111.8
424H29.9Very low36.4Very low185 Ų185135.7 Ų135.786%0.85679%0.788SS**  trans-167.880.2150-109.5-70.8000111.2
425L27.8Very low35.2Very low175 Ų175135.4 Ų135.492%0.91679%0.791SS**  trans-179.9112.5131.1-118.368000109.3
426A28Very low36Very low108 Ų108129.5 Ų129.589%0.89378%0.778SS**  trans-130.9137.8167.300000107.9
427G26Very low35.3Very low70 Ų70136.2 Ų136.272%0.72279%0.791SS**  trans-170.1118.6-176.400000114.1
428L29.1Very low34.4Very low185 Ų185136.2 Ų136.297%0.96979%0.79SS**  trans77.3134165.7-48.1179.3000117.9
429A27.8Very low33.8Very low92 Ų92138.5 Ų138.576%0.7679%0.789SS**  trans-124.7170.7170.900000108.7
430P39.8Very low33.1Very low121 Ų121140.8 Ų140.879%0.78679%0.789SS**  -137.7160.880.418.35.8000112.9
431A26.5Very low32.6Very low88 Ų88140.9 Ų140.973%0.72779%0.79SS**  cis81113.54400000116
432F25.1Very low31.9Very low212 Ų212136.2 Ų136.293%0.9378%0.783SS**  trans-169.2-174.3143.6-121.4-87.4000112.9
433V27.8Very low32.2Very low124 Ų124131.6 Ų131.675%0.75277%0.77SS**  trans-131.2154.2-150.3176.20000113.1
434P56.3Low32.5Very low115 Ų115127.8 Ų127.875%0.74776%0.76SS**  trans-106.3173.2-166.841-36.4000116.8
435N24.2Very low32.6Very low153 Ų153122.5 Ų122.582%0.81876%0.756SS**  trans177.3-171.8136.3-1280.4000114.4
436P57.3Low32.6Very low78 Ų78118.8 Ų118.851%0.50675%0.751SS.*  -138.3-155.4-127.346.2-23.2000119.8
437Y28Very low32.8Very low206 Ų206121 Ų12181%0.80875%0.747SS**  trans94.5164.4170.1-45.8-63.7000118.2
438I29.2Very low33.2Very low143 Ų143123.7 Ų123.773%0.73375%0.753SS**  cis-156.8151.45.5-144.1163.7000116.6
439I28.4Very low33.1Very low133 Ų133125.2 Ų125.268%0.68275%0.747SS**  trans18.4141.5148.9-62.5170.8000126.1
440N27.9Very low33.1Very low134 Ų134127.2 Ų127.272%0.71775%0.75SS**  trans64.4179158.6-71.2-9.5000119.7K145K145-N440 PolarHBondContact NZ-O 3.12Å
441A28.8Very low32.4Very low81 Ų81125.7 Ų125.767%0.66975%0.748SS**  cis-136.1-162.6-3.700000113.4K145K145-A441 PolarHBondContact NZ-O 3.39Å
442A26.1Very low32.6Very low89 Ų89126.9 Ų126.974%0.73676%0.757SS**  trans-156.5173.4173.500000110.8
443P46.1Very low32.6Very low92 Ų92120.1 Ų120.160%0.59775%0.747SS**  cis-123.9-120.5-20.738.7-18.6000111.7W148W148-P443 HydrophobicContact CZ2-CB 3.55Å; W148-P443 HydrophobicContact CZ2-CG 4.08Å
444P41.6Very low32.5Very low99 Ų99122.6 Ų122.664%0.64376%0.755SS**  -123.6177.5-62.340.1-25.1000116.2W148W148-P444 HydrophobicContact CH2-CB 4.41Å; W148-P444 HydrophobicContact CZ2-CB 3.95Å
445G32.1Very low31.1Very low75 Ų75121.9 Ų121.977%0.77376%0.759SS**  trans104112.4135.100000124
446A29.4Very low31.2Very low97 Ų97119.8 Ų119.880%0.80276%0.763SS**  trans62.9127.8146.600000124.9
447D31.7Very low29.7Very low153 Ų153120.9 Ų120.982%0.81878%0.779SS**  trans43.8140.1136.9-72.427.8000122.8
448P33.4Very low29.7Very low128 Ų128115.1 Ų115.183%0.83177%0.774SS**  -152.1177.860.842.6-22.4000119.2
449Y27Very low29.6Very low217 Ų217114.6 Ų114.685%0.85178%0.777SS**  trans-80.2160.9167-105.4-99.7000113.5
450T27.7Very low29.6Very low133 Ų133116.5 Ų116.582%0.81679%0.788SS**  150.8149121.9-58.70000114.3
451A26.4Very low29.5Very low90 Ų90115 Ų11574%0.74480%0.795SS**  trans95.3124.8156.500000121.7
452A30.6Very low29.4Very low112 Ų112114.3 Ų114.393%0.92680%0.795SS**  trans59.4150153.200000120.9
453G25Very low29.6Very low70 Ų70116.4 Ų116.472%0.72280%0.801SS**  cis148137.9-1100000114.9
454L25.6Very low28.8Very low177 Ų177118.3 Ų118.393%0.92781%0.811SS**  trans70.6102.7166.1-71.3163.5000120.7
455A26.5Very low28.1Very low99 Ų99120.1 Ų120.182%0.81882%0.82SS**  38122124.300000122.7
456A27Very low28Very low109 Ų109122.2 Ų122.290%0.90182%0.818SS**  trans-152.2170.1140.600000109.7
457A25.8Very low28Very low102 Ų102122.7 Ų122.784%0.84381%0.812SS**  trans-118.3-176.3-173.900000113.3
458A27Very low27.9Very low85 Ų85121.2 Ų121.270%0.70281%0.812SS**  trans105.599162.800000119.4
459T26.7Very low27.5Very low132 Ų132124 Ų12481%0.8181%0.813SS**  68.8150.4123.3-26.70000122.5
460L28.3Very low27.5Very low172 Ų172123.7 Ų123.790%0.90181%0.812SS**  trans88.4139.8165.5-64.1176000118.2
461A27.3Very low27.4Very low104 Ų104128 Ų12886%0.8682%0.815SS**  trans-107.5147.9-175.500000111.3
462G27Very low27.4Very low66 Ų66127.1 Ų127.168%0.6882%0.815SS**  trans-111.5156.3170.200000111.9
463P30.1Very low27.4Very low132 Ų132127.6 Ų127.686%0.85781%0.806SS**PPolyproline II helixtrans-80.6139.1-173.231.5-35.1000113.7
464T28Very low27.6Very low132 Ų132130 Ų13081%0.8181%0.809SS**PPolyproline II helixtrans-81.5130.8174.8-52.90000111.6
465V27.8Very low27.7Very low137 Ų137131.4 Ų131.483%0.8380%0.802SS**PPolyproline II helixtrans-84.1133.5172.9177.60000110.4
466V30.1Very low27.8Very low120 Ų120129.7 Ų129.773%0.72779%0.794SS**  trans-119.9124.6177.8179.80000109.7
467P29.7Very low27.9Very low106 Ų106131.6 Ų131.669%0.68879%0.794SS**  trans-78.5146.5174.232-33.8000111.7
468P28.1Very low28Very low123 Ų123134.6 Ų134.680%0.79979%0.785SS**  trans-77152.1-174.431.4-35.9000113.6
469Q27Very low28Very low186 Ų186136.4 Ų136.487%0.86979%0.789SS**  trans-123.6144.5169.7-76.3-69.7-17.500109.2
470Y25.3Very low28.1Very low211 Ų211134.5 Ų134.583%0.82779%0.787SS**  trans-133.4118.4-172.9-141.4-91.4000112.2
471Y27.1Very low28.1Very low222 Ų222132.9 Ų132.987%0.87178%0.779SS**  trans30.8129.9161-91.2-90.3000122.6
472G26.6Very low28Very low73 Ų73136.2 Ų136.275%0.75378%0.782SS**  trans179.187.216000000113.8
473V29.6Very low28Very low121 Ų121141.5 Ų141.573%0.73379%0.786SS**  trans-141.2132.7174.3-176.80000109.5
474P28.6Very low27.8Very low121 Ų121143.5 Ų143.579%0.78678%0.784SS**  trans-84.9168.4178.635.6-36.3000113
475W28.7Very low27.8Very low207 Ų207144.4 Ų144.478%0.78478%0.779SS**  trans-137.7136179.6-92.1110.8000112.8Y478W475-Y478 AromaticContact CH2-CE2 3.76Å; W475-Y478 HydrophobicContact CH2-CE2 3.76Å; W475-Y478 HydrophobicContact CZ3-CD2 4.09Å; W475-Y478 AromaticContact CZ3-CE2 3.43Å; W475-Y478 HydrophobicContact CZ3-CE2 3.43Å; W475-Y478 VanDerWaalsContact CZ3-CE2 3.43Å
476G28.7Very low27.7Very low62 Ų62146.8 Ų146.864%0.63978%0.781SS**  trans172.9126.3169.800000113.6
477V28.3Very low27.5Very low149 Ų149145.6 Ų145.690%0.90378%0.784SS**  trans69.1129.1171.5-166.60000117.6
478Y28.7Very low27.3Very low166 Ų166145.3 Ų145.365%0.65179%0.791SS**  trans-133.9141.6173.8-101.1-68.5000110.3W475W475-Y478 AromaticContact CH2-CE2 3.76Å; W475-Y478 HydrophobicContact CH2-CE2 3.76Å; W475-Y478 HydrophobicContact CZ3-CD2 4.09Å; W475-Y478 AromaticContact CZ3-CE2 3.43Å; W475-Y478 HydrophobicContact CZ3-CE2 3.43Å; W475-Y478 VanDerWaalsContact CZ3-CE2 3.43Å
479P27.1Very low27.2Very low122 Ų122144.9 Ų144.979%0.79279%0.791SS**  trans-100.2162.1159.337.5-31.1000111.8
480A28.1Very low27Very low93 Ų93142.6 Ų142.677%0.76979%0.789SS**  trans-136.5116.3-17700000115.6
481N27.9Very low27Very low138 Ų138136.1 Ų136.174%0.73878%0.779SS**  trans57.3132.9147.5-63.8-18.9000123.6
482L25.4Very low26.9Very low173 Ų173131.6 Ų131.691%0.90677%0.77SS**  trans-138.4144154-178.369.3000107.9
483F27Very low27.2Very low178 Ų178136.3 Ų136.378%0.78177%0.772SS**  trans-152.1125-175.5-142.7-68.6000111.7
484Q27Very low27.1Very low174 Ų174135.6 Ų135.681%0.81377%0.773SS**  trans-152.195.2166.9-164.487.453.600112.9
485Q27.8Very low27.1Very low151 Ų151134.2 Ų134.271%0.70677%0.771SS**  trans-3.4131.9141.3176.1-171.775.100120
486Q26.1Very low27.1Very low187 Ų187130.2 Ų130.287%0.87477%0.766SS**  trans172.2158.3137.3-97.9-177.9-2.300109.1
487A24.1Very low27.2Very low95 Ų95133.8 Ų133.879%0.78577%0.766SS**  cis-155.2174.1-18.600000108.4
488A25.4Very low27.2Very low100 Ų100134.2 Ų134.283%0.82676%0.758SS**  trans-114.8148.4-17400000114.7
489S26.5Very low27.1Very low114 Ų114130.5 Ų130.580%0.79776%0.762SS**  trans173.4155.4162.449.50000108.6
490T24Very low27.1Very low137 Ų137129.3 Ų129.384%0.8476%0.756SS**  cis-161.3170.7-17.6230000105.8
491A25.3Very low27Very low75 Ų75131.5 Ų131.562%0.6276%0.755SS**  cis-156.9165.320.500000112.7
492N25.1Very low27.1Very low128 Ų128133.9 Ų133.968%0.68476%0.762SS**  trans49.6114.8138.4-60.85.4000120.2
493H31Very low27.2Very low171 Ų171129 Ų12979%0.79275%0.753SS**  77.7147.480.4-59.9-38.8000113.6
494S28.4Very low27.6Very low107 Ų107126.8 Ų126.875%0.74876%0.756SS**  cis-154.8153.522-33.40000113.3
495A29.6Very low27.7Very low91 Ų91121.7 Ų121.775%0.75275%0.751SS**  trans66.6164.4141.400000118.2
496N28.6Very low28.4Very low124 Ų124121.1 Ų121.166%0.66376%0.76SS**  cis-162.3146.8-10.1-132.9-7.4000110.1
497Q30.3Very low28.6Very low136 Ų136115.9 Ų115.964%0.63676%0.757SS**  trans57.6159.4139.3-70.9173.241.800119.7
498Q28.5Very low28.9Very low158 Ų158120.3 Ų120.374%0.73876%0.761SS**  cis-159.5146.71.7-131.3164.84.700112
499A26.8Very low29.7Very low89 Ų89120.8 Ų120.874%0.73676%0.756SS**  trans60.7171.6143.700000118.7
500S26.7Very low29.8Very low97 Ų97123.6 Ų123.668%0.67876%0.756SS**  cis-147.8153.39.5-45.70000113.3
501N26.5Very low30.1Very low139 Ų139122.8 Ų122.874%0.74375%0.751SS**  trans46.7134.8138.1-58.6-4.3000120.7
502Q28.5Very low30.2Very low188 Ų188126.7 Ų126.788%0.87976%0.758SS**  64.1126.252.2-63.1-16711.700116.1
503G28Very low30.5Very low70 Ų70129.8 Ų129.872%0.72276%0.76SS**  trans-126.7146.4142.700000106.8
504P36.1Very low30.6Very low131 Ų131129 Ų12985%0.85177%0.768SS**  -137.5-17760.840.2-24.9000114.4
505G29.6Very low30.7Very low67 Ų67125.6 Ų125.669%0.69175%0.749SS**  trans-121.3-173159.800000110.9
506P42.3Very low31Very low139 Ų139127 Ų12790%0.90375%0.749SS**  cis-124.1-176.4-0.441.9-28.5000113.3
507G30Very low31.2Very low78 Ų78127.1 Ų127.180%0.80475%0.75SS**  trans127.2130.9156.700000117.1
508Q30.4Very low31.4Very low188 Ų188127.5 Ų127.588%0.87975%0.751SS**  trans-100.5-176.9168-53-178.1-11.600109.9
509P42.1Very low31.7Very low110 Ų110130.1 Ų130.171%0.71475%0.754SS**  cis-130.6-165.8-12.318.97.8000114.4
510Q28.7Very low32.7Very low172 Ų172130.4 Ų130.480%0.80475%0.749SS**  trans-37.2169.9161.7-55.3160.2-21.700115.9
511V29.1Very low32.9Very low121 Ų121133.1 Ų133.173%0.73376%0.755SS**  cis-161.216031.9-140.90000114.2
512M27.7Very low33.2Very low157 Ų157132.6 Ų132.677%0.77376%0.757SS**  trans62.5117.9141-118.956.916200125.6
513R32.9Very low34.1Very low192 Ų192129.5 Ų129.573%0.72575%0.753SS**  trans6.2153.9134.8-52.1-176.5170.6-158.41120.6G515R513-G515 PolarHBondContact NH1-O 2.99Å; R513-G515 VanDerWaalsContact NH1-O 3.16Å
514T32.2Very low34.2Very low155 Ų155129 Ų12995%0.95175%0.748SS**  -124.8143.683.533.80000115.3
515G30.7Very low34Very low35 Ų35132 Ų13236%0.36175%0.751SS.*  cis-174.4-44.1-1.800000119.2R513R513-G515 PolarHBondContact NH1-O 2.99Å; R513-G515 VanDerWaalsContact NH1-O 3.16Å
516T34.9Very low34Very low122 Ų122132.2 Ų132.275%0.74875%0.753SS**  trans-128.6170-148.644.80000113.1
517N33.9Very low33.5Very low126 Ų126133.1 Ų133.167%0.67475%0.745SS**  cis-164.3156-18.2-103-11.3000108.4
518Q33.2Very low33.4Very low144 Ų144136.9 Ų136.967%0.67374%0.742SS**  cis-166.4138.5-34.5-137.1-164.6109.800112.1
519R34.6Very low33.3Very low212 Ų212132.1 Ų132.180%0.873%0.729SS**  trans66.2159.8147.8-97.6-168.2175.9-119-5.3120.6
520P48.9Very low32.7Very low96 Ų96135.5 Ų135.562%0.62374%0.736SS**  cis-137.6178.9-6.842.1-25.2000118.1
521L31.1Very low32.7Very low153 Ų153134.7 Ų134.780%0.80173%0.732SS**  trans98.1158.8156.4-64.7174.4000121.5
522T31.8Very low32.6Very low128 Ų128136.2 Ų136.279%0.78573%0.731SS**  trans-156.4-171.3-147.446.20000110.2
523P47.8Very low32.8Very low124 Ų124132.7 Ų132.781%0.80572%0.722SS**  cis-125.7-157.9-2.744.8-27.3000112.4
524G30.6Very low32.7Very low60 Ų60131.8 Ų131.862%0.61973%0.73SS**  cis132.6134.3-17.600000116.8
525Q32Very low32.4Very low193 Ų193128.3 Ų128.390%0.90272%0.717SS**  trans70.9158.1166.7-60168.8-43.700117.6
526G29.7Very low32.2Very low71 Ų71131.5 Ų131.573%0.73274%0.74SS**  cis-172.2-167.90.600000110.7
527Q30.4Very low31.9Very low159 Ų159130.1 Ų130.174%0.74374%0.741SS**  cis-158.8-57-5.9-160.5167.4-78.700117.5
528Q29.4Very low31.6Very low157 Ų157128.6 Ų128.673%0.73475%0.746SS**  trans-158.2169.2-159.1-92.3167.3-58.800111.6
529S28.3Very low31.3Very low88 Ų88126.6 Ų126.662%0.61575%0.754SS**  cis-176.6153.2-6.947.30000112.1
530Q29.6Very low31Very low181 Ų181121.2 Ų121.285%0.84676%0.755SS**  trans56.3148.5156.8-63172.4-13.400117.8
531Q28.4Very low30.2Very low155 Ų155124.2 Ų124.272%0.72477%0.766SS**  cis-175.1172.149.1-171.8155.8-1.600111.6
532E27.8Very low31Very low153 Ų153122.5 Ų122.572%0.71576%0.764SS**  trans-18.3169.3162.7-65.5177.682.500122.3
533S31.3Very low30.7Very low83 Ų83120.4 Ų120.458%0.5876%0.76SS**  cis-176.7159.8-13.4-940000111.3
534L29.5Very low29.7Very low172 Ų172123 Ų12390%0.90177%0.766SS**  trans63.4161.2155.5-65.3159.3000117.3
535A27.4Very low29.5Very low83 Ų83125.1 Ų125.169%0.68678%0.777SS**  cis-155.5161.77.800000113
536A26.9Very low29.2Very low101 Ų101127 Ų12784%0.83578%0.778SS**  trans59.3165.6143.800000121.9
537A27.9Very low29Very low94 Ų94128.4 Ų128.478%0.77778%0.783SS**  cis-169.6165.4-38.300000111.7
538A26.9Very low28.7Very low94 Ų94124.5 Ų124.578%0.77779%0.785SS**  trans70.6106.3146.800000123.7
539A28.1Very low28.7Very low101 Ų101125.6 Ų125.684%0.83579%0.792SS**  86.1143.7108.100000125.2
540A28.2Very low29.4Very low100 Ų100126.8 Ų126.883%0.82680%0.798SS**  trans86.6130.4142.500000123.4
541N31.2Very low29.2Very low158 Ų158121.5 Ų121.585%0.84579%0.792SS**  trans-88.5167.5151.3-82.6-48.7000108.5
542P47.4Very low29.4Very low118 Ų118125.7 Ų125.777%0.76680%0.803SS**  cis-152.5179.634.244.3-22.9000119.6
543A26.2Very low29.4Very low84 Ų84126.9 Ų126.969%0.69481%0.808SS**  trans47128.8141.400000125.2
544L27.9Very low29.3Very low177 Ų177129.3 Ų129.393%0.92782%0.82SS**  trans61.3113.7138.2-75.9164.9000122.7
545A26.1Very low29.3Very low105 Ų105129.4 Ų129.487%0.86882%0.82SS**  trans-154.7179150.100000110.6
546Y24.7Very low29.6Very low233 Ų233129.3 Ų129.391%0.91482%0.819SS**  trans-131.9147.7-157.2-149.9-105.3000115
547A25.3Very low30.1Very low100 Ų100130.7 Ų130.783%0.82682%0.819SS**  trans65.9139.2163.500000121.6
548G25.2Very low30.4Very low77 Ų77129.2 Ų129.279%0.79481%0.808SS**  trans158131167.700000114.8
549M28.4Very low31Very low181 Ų181127.8 Ų127.889%0.89280%0.795SS**  trans-143.3167.6179.2-79.1-79.3-79.700108.5
550P42.9Very low32Very low113 Ų113131 Ų13173%0.73479%0.787SS**  cis-134.7176.2-8.939.4-22.7000116
551G26Very low33.3Very low69 Ų69133.7 Ų133.771%0.71178%0.777SS**  trans102.5143.9136.800000120.7
552Y32.3Very low34.9Very low243 Ų243128.7 Ų128.795%0.95375%0.75SS**  -170.8167.1129.5-118.3-84.5000112.4
553Q26.9Very low34.6Very low178 Ų178129.1 Ų129.183%0.83274%0.742SS**  trans-104.2173.9-170.4-70.7-171.8-3.400115.9
554V30.9Very low35.7Very low135 Ų135127.3 Ų127.382%0.81872%0.723SS**  trans-117.6137165.1174.70000109.2
555L29.6Very low37Very low173 Ų173121.8 Ų121.891%0.90671%0.708SS**  trans-157.8167.7151.9-138.575.6000111.8
556A32.3Very low37.8Very low82 Ų82118.6 Ų118.668%0.67868%0.682SS**  trans-118.7166.1-173.300000112.4
557P37.7Very low38.9Very low129 Ų129111.9 Ų111.984%0.83866%0.662SS**  trans-86.1149.716834.9-32.9000111.8
558A34.2Very low39.8Very low64 Ų64111.1 Ų111.153%0.52965%0.646SS.*  trans-131.9161.9176.300000111.5Y560A558-Y560 HydrophobicContact CB-CE1 3.97Å; A558-Y560 HydrophobicContact CB-CE2 4.46Å; A558-Y560 WeakPolarHBondContact O-CE2 3.39Å
559A40Very low40.9Very low63 Ų63115.1 Ų115.152%0.52165%0.646SS.*  trans-101.2146166.400000109.3L567A559-L567 HydrophobicContact CB-CD2 4.32Å
560Y48.4Very low41.2Very low170 Ų170110 Ų11067%0.66764%0.64SS**  trans-127.5152.1-173.1-50.7-79.2000110.9A558 L567A558-Y560 HydrophobicContact CB-CE1 3.97Å; A558-Y560 HydrophobicContact CB-CE2 4.46Å; A558-Y560 WeakPolarHBondContact O-CE2 3.39Å; Y560-L567 WeakPolarHBondContact O-CD2 3.43Å
561Y55.9Low41.1Very low156 Ų156110.7 Ų110.761%0.61264%0.644SS**BIsolated β-bridgetrans-75.6141.9165.5-76.9-103000109.6G565 L567Y561-G565 WeakPolarHBondContact CD1-O 3.36Å; Y561-G565 WeakPolarHBondContact CE1-O 3.48Å; Y561-L567 HydrophobicContact CD1-CB 3.87Å; Y561-L567 HydrophobicContact CD1-CG 4.24Å; Y561-L567 HydrophobicContact CD2-CB 4.39Å; Y561-L567 HydrophobicContact CD2-CD1 4.2Å; Y561-L567 HydrophobicContact CD2-CG 3.85Å; Y561-L567 HydrophobicContact CE1-CB 3.71Å; Y561-L567 HydrophobicContact CE1-CD1 4.47Å; Y561-L567 HydrophobicContact CE1-CG 4.17Å; Y561-L567 HydrophobicContact CE2-CB 4.23Å; Y561-L567 HydrophobicContact CE2-CD1 3.62Å; Y561-L567 HydrophobicContact CE2-CG 3.75Å; Y561-L567 HydrophobicContact CG-CB 4.22Å; Y561-L567 HydrophobicContact CG-CG 4.1Å
562D65.6Low41.3Very low52 Ų52111.4 Ų111.428%0.27865%0.652SS.*  trans-78.8163.4161.680.828.4000110.3K250 T564 G565 A566 V568K250-D562 WeakPolarHBondContact CE-OD1 3.33Å; K250-D562 IonicContact NZ-OD1 2.86Å; K250-D562 PolarHBondContact NZ-OD1 3.07Å; K250-D562 IonicContact NZ-OD2 3.61Å; K250-D562 PolarHBondContact NZ-OD2 3.42Å; D562-T564 PolarHBondContact O-N 2.76Å; D562-T564 PolarHBondContact OD1-OG1 3.47Å; D562-G565 PolarHBondContact O-N 3.08Å; D562-A566 PolarHBondContact N-O 2.97Å; D562-V568 VanDerWaalsContact OD2-CG2 3.23Å; D562-V568 WeakPolarHBondContact OD2-CG2 3.39Å
563Q40.2Very low41.3Very low128 Ų128104.2 Ų104.260%0.59864%0.642SS**THydrogen-bonded Turntrans-85.338.5-142.8-163.6166.7-76.400113.3D252D252-Q563 VanDerWaalsContact OD1-CB 3.24Å; D252-Q563 WeakPolarHBondContact OD1-CB 3.32Å; D252-Q563 VanDerWaalsContact OD1-CD 3.25Å; D252-Q563 WeakPolarHBondContact OD1-CG 3.32Å; D252-Q563 PolarHBondContact OD1-NE2 3.45Å
564T49.4Very low41.6Very low46 Ų46107 Ų10728%0.28265%0.645SS.*THydrogen-bonded Turntrans-151.8-3.9-167.364.20000113.2K250 D562K250-T564 HydrophobicContact CB-CG2 3.8Å; K250-T564 WeakPolarHBondContact CE-OG1 3.37Å; K250-T564 HydrophobicContact CG-CG2 4.15Å; D562-T564 PolarHBondContact O-N 2.76Å; D562-T564 PolarHBondContact OD1-OG1 3.47Å
565G55.7Low41.5Very low61 Ų61107 Ų10763%0.62965%0.646SS**SBendtrans103.92.7177.300000116.2Y561 D562Y561-G565 WeakPolarHBondContact CD1-O 3.36Å; Y561-G565 WeakPolarHBondContact CE1-O 3.48Å; D562-G565 PolarHBondContact O-N 3.08Å
566A42.1Very low41.5Very low38 Ų38101.7 Ų101.731%0.31463%0.633SS.*  trans-100.4131.2175.900000112.2D562 V568D562-A566 PolarHBondContact N-O 2.97Å; A566-V568 HydrophobicContact CB-CG2 4.45Å; A566-V568 PolarHBondContact O-N 3.36Å
567L48.1Very low41.5Very low92 Ų92106.5 Ų106.548%0.48265%0.646SS.*BIsolated β-bridgetrans-83.8111.7175.5-144.6177.5000109.4A559 Y560 Y561A559-L567 HydrophobicContact CB-CD2 4.32Å; Y560-L567 WeakPolarHBondContact O-CD2 3.43Å; Y561-L567 HydrophobicContact CD1-CB 3.87Å; Y561-L567 HydrophobicContact CD1-CG 4.24Å; Y561-L567 HydrophobicContact CD2-CB 4.39Å; Y561-L567 HydrophobicContact CD2-CD1 4.2Å; Y561-L567 HydrophobicContact CD2-CG 3.85Å; Y561-L567 HydrophobicContact CE1-CB 3.71Å; Y561-L567 HydrophobicContact CE1-CD1 4.47Å; Y561-L567 HydrophobicContact CE1-CG 4.17Å; Y561-L567 HydrophobicContact CE2-CB 4.23Å; Y561-L567 HydrophobicContact CE2-CD1 3.62Å; Y561-L567 HydrophobicContact CE2-CG 3.75Å; Y561-L567 HydrophobicContact CG-CB 4.22Å; Y561-L567 HydrophobicContact CG-CG 4.1Å
568V43.2Very low41.1Very low84 Ų84104.3 Ų104.351%0.50965%0.647SS.*  trans-116.7122.4-175.6177.80000110.8D562 A566D562-V568 VanDerWaalsContact OD2-CG2 3.23Å; D562-V568 WeakPolarHBondContact OD2-CG2 3.39Å; A566-V568 HydrophobicContact CB-CG2 4.45Å; A566-V568 PolarHBondContact O-N 3.36Å
569M49.1Very low41Very low161 Ų161104.8 Ų104.879%0.79366%0.658SS**  trans-113.1108.5177.2-155.6175-162.200109.4
570G33.8Very low41.1Very low74 Ų74107.9 Ų107.976%0.76367%0.673SS**  trans-76.1127.6-171.100000114.5
571P40.9Very low40.2Very low126 Ų126106.1 Ų106.182%0.81868%0.68SS**  trans-114.4132.2-173.537.8-29.6000116.9
572G31.9Very low38.9Very low84 Ų84109.4 Ų109.487%0.86669%0.691SS**  87.7146.2125.300000122.5
573A31.7Very low37Very low92 Ų92113.5 Ų113.576%0.7671%0.712SS**  trans-169.1150153.300000109.3
574R32.2Very low36.3Very low236 Ų236113.2 Ų113.289%0.89172%0.719SS**  cis-168.5161.7-12.4-104.7177.5-169.3-170.32.6106.7
575T30.4Very low35Very low136 Ų136118.8 Ų118.883%0.83474%0.742SS**  cis-121.9-117.53.4-44.50000110.5
576G29.4Very low33.4Very low61 Ų61121.5 Ų121.563%0.62975%0.746SS**  cis115.5134.5-2.400000113.5
577L30.7Very low33Very low184 Ų184124.9 Ų124.996%0.96377%0.765SS**  cis-141.3152.21.5-76.8167.3000111.8
578G29.1Very low32Very low82 Ų82127.9 Ų127.985%0.84578%0.781SS**  trans114.298.4161.700000116.8
579G32.1Very low31.2Very low74 Ų74132 Ų13276%0.76380%0.799SS**  trans-104.7-156.7166.800000111.8
580P42.7Very low30.1Very low128 Ų128131.5 Ų131.583%0.83180%0.798SS**  cis-109.7-169.73.828.5-5.8000111
581V28.9Very low29.9Very low134 Ų134134.6 Ų134.681%0.81280%0.797SS**  cis-151.215543.6176.80000112.8
582R29.5Very low30Very low225 Ų225134.3 Ų134.385%0.84980%0.795SS**  trans-66.3172175.7-79.8-176.9173.3177.7-3.1114.1
583L26Very low29.8Very low137 Ų137134.6 Ų134.672%0.71779%0.789SS**  cis178.3132.3-26.8-177139.4000106.1
584V24.3Very low29.8Very low122 Ų122135 Ų13574%0.73979%0.793SS**  trans29.4128.5161.5-174.50000119.4
585Q23.3Very low29.8Very low164 Ų164128 Ų12877%0.76679%0.785SS**  178.5133.7121.2-100.1-169.8-9.800116.6
586T22.8Very low29.8Very low117 Ų117130.5 Ų130.572%0.71879%0.787SS**  trans69.1-178.5142.869.80000117.9
587P32.9Very low29.9Very low110 Ų110131.9 Ų131.971%0.71479%0.793SS**  -138.7-150.4-92.344.5-23.8000113
588L26.9Very low29.9Very low155 Ų155127.9 Ų127.981%0.81279%0.786SS**  trans-31.1136157-68161000114.4
589L27.4Very low29.8Very low171 Ų171128.5 Ų128.590%0.89578%0.783SS**  trans-149.5141.7143-14179.8000111.9
590I25.1Very low29.5Very low149 Ų149131.2 Ų131.276%0.76479%0.785SS**  trans-106.8-179.3168.3-72.8171.3000107.2
591N28.9Very low29Very low140 Ų140130.1 Ų130.175%0.74978%0.78SS**  trans82.2165.2165.4-111.14.1000115.1
592P44.3Very low29Very low119 Ų119127.9 Ų127.977%0.77378%0.776SS**  cis-135.4148.915.539.9-22.1000119.2
593A27Very low29Very low90 Ų90122.8 Ų122.874%0.74478%0.775SS**  trans-175.8133.9136.700000108.5
594A31.2Very low29.1Very low101 Ų101119.7 Ų119.784%0.83578%0.776SS**  cis-150.4173.2-5.900000107.6
595A32.2Very low29.3Very low89 Ų89120.5 Ų120.574%0.73679%0.787SS**  cis-151.5167.10.500000111.9
596Q31.6Very low29.7Very low189 Ų189115.7 Ų115.788%0.88378%0.781SS**  trans-23.8157.2148-74.7157.5-20.300117.6
597A31.8Very low30.4Very low89 Ų89117.6 Ų117.674%0.73679%0.787SS**  cis-167.8170.9-2.300000113
598A29Very low30.5Very low101 Ų101118.9 Ų118.984%0.83579%0.788SS**  trans69.4148.6149.300000119.8
599A27.4Very low31.2Very low94 Ų94119.7 Ų119.778%0.77779%0.79SS**  cis-162.9161.3-23.100000111.2
600V27.2Very low31.8Very low131 Ų131116.9 Ų116.979%0.79479%0.785SS**  trans-69.4165.7154.1-71.30000109.5
601S30.7Very low32.1Very low105 Ų105113.4 Ų113.473%0.73479%0.786SS**  cis-166.7-175.632.7-30.70000111.5
602A29.9Very low33.8Very low87 Ų87112.7 Ų112.772%0.71979%0.789SS**  trans73.2121.4159.900000117
603S28.7Very low34.7Very low119 Ų119112.8 Ų112.883%0.83279%0.789SS**  cis78.2125.640.182.90000114.2
604G27.7Very low35.2Very low72 Ų72113 Ų11374%0.74279%0.79SS**  cis171.1-160.7-0.800000112.2
605S29Very low35.6Very low138 Ų138116.2 Ų116.297%0.96579%0.794SS**  trans83.8143.4176.1-159.90000118.2
606G31.3Very low35.8Very low63 Ų63115.5 Ų115.565%0.64980%0.795SS**  trans118.461.9134.200000123.2
607N38.8Very low36.1Very low157 Ų157114 Ų11484%0.8479%0.792SS**  trans70.3148.4145-75.87.9000125
608N35.2Very low36.2Very low138 Ų138119.9 Ų119.974%0.73880%0.796SS**  trans82.7109.1152.8-70.57.5000123
609M41.4Very low36.3Very low171 Ų171126.4 Ų126.484%0.84280%0.8SS**  trans36136.7130.2-112.377.491.600120.7
610S39.1Very low36.5Very low113 Ų113126.8 Ų126.879%0.7980%0.797SS**  cis-164.2160.717.9-33.90000112.6
611G31.6Very low36.6Very low76 Ų76129.1 Ų129.178%0.78480%0.801SS**  trans112.2132.4152.500000119.9
612P64.1Low37.5Very low125 Ų125129.8 Ų129.881%0.81280%0.803SS**  trans-119.3-163174.246-35.2000112.6
613P63.1Low37.7Very low121 Ų121134.5 Ų134.579%0.78681%0.81SS**  cis-139.9-179-3.342.4-23.6000118.1
614A39.3Very low38.7Very low93 Ų93134.3 Ų134.377%0.76981%0.806SS**  140.2111.1126.400000122.1
615N38.5Very low38.6Very low170 Ų170139.7 Ų139.791%0.90981%0.812SS**  trans38.8127.1138.4-68.23.4000129.8
616G36.8Very low39.7Very low73 Ų73138.6 Ų138.675%0.75380%0.801SS**  55.1173.1118.500000126.2
617L37.8Very low40.1Very low157 Ų157144.5 Ų144.582%0.82281%0.812SS**  cis-172.4147.9-20.4-97.5-176.7000114.2
618Y33.8Very low40.5Very low213 Ų213142.2 Ų142.284%0.83581%0.806SS**  trans65.2138.9147.1-84-58.4000130.3
619R31.5Very low40.5Very low238 Ų238143.1 Ų143.190%0.89881%0.805SS**  trans84.4175.2142.9-115.3174.7179.8164.30.5124.3
620S31.4Very low40.2Very low103 Ų103141.9 Ų141.972%0.7280%0.798SS**  trans-163168.6-141.847.30000119.4
621M28.3Very low40Very low179 Ų179142 Ų14288%0.88279%0.786SS**  trans75.1158.9169.7-79.2-70.2-163.800119.5
622P49.8Very low40Very low120 Ų120146.3 Ų146.378%0.77979%0.786SS**  cis-133-159.4-11.839.1-17.5000116.3
623Q33.8Very low38.3Very low186 Ų186142.5 Ų142.587%0.86977%0.765SS**  trans-70.7178.5177.9-79.9-179.4-44.800116.2
624P49.9Very low37.3Very low114 Ų114139.7 Ų139.774%0.7475%0.746SS**  cis-137.9-174.12.239.8-19.6000118.4
625Q26.7Very low37.5Very low186 Ų186137.7 Ų137.787%0.86973%0.726SS**  trans83.9-178.1155.2-116.4-179.2-4.700119.6
626P51.6Low38.4Very low114 Ų114133 Ų13374%0.7470%0.704SS**  -116.9173.8-12643-29.4000120.4
627Q39.6Very low38.3Very low187 Ų187134.6 Ų134.687%0.87470%0.704SS**  trans6.7144.1166.2-85-169.9-7.400122.3
628P47.8Very low38.3Very low109 Ų109133.2 Ų133.271%0.70871%0.707SS**  -163.1179.872.843.9-21.9000121.8
629Q33.9Very low38.4Very low157 Ų157126.3 Ų126.373%0.73470%0.701SS**  trans71.8125143.1-96.2178.1-71.400129.3
630Q36.4Very low38.5Very low145 Ų145123.4 Ų123.468%0.67870%0.703SS**  trans53.8162.6133.6-73.2169.7-15.400123S305S305-Q630 PolarHBondContact OG-O 3.46Å
631Q35.2Very low38.5Very low115 Ų115124.9 Ų124.954%0.53771%0.708SS.*  cis-152.4-149.524.5-144.4164.325.500115.2S304 S305S304-Q631 VanDerWaalsContact CB-OE1 3.3Å; S305-Q631 WeakPolarHBondContact OG-CA 3.47Å; S305-Q631 WeakPolarHBondContact OG-CB 3.26Å; S305-Q631 PolarHBondContact OG-N 3.44Å
632Q29.8Very low38.5Very low168 Ų168121.7 Ų121.779%0.78570%0.703SS**  trans-160.2158.3-148-163.1179.917.700120.7T307T307-Q632 PolarHBondContact OG1-O 3.41Å
633A29.2Very low37.7Very low45 Ų45121.2 Ų121.237%0.37270%0.702SS.*  trans65165.7161.800000121.6T307T307-A633 WeakPolarHBondContact CB-O 3.3Å; T307-A633 PolarHBondContact OG1-N 3.46Å; T307-A633 PolarHBondContact OG1-O 3.46Å
634P43Very low37.4Very low61 Ų61117.9 Ų117.940%0.39670%0.699SS.*  cis-122.2-146.9-23.443.9-25.7000111.6E308 A309 E311E308-P634 WeakPolarHBondContact CA-O 3.47Å; A309-P634 VanDerWaalsContact CA-C 3.42Å; A309-P634 VanDerWaalsContact CA-O 3.27Å; A309-P634 WeakPolarHBondContact CA-O 3.22Å; E311-P634 HydrophobicContact CG-CB 4.08Å
635P43.3Very low36.5Very low52 Ų52121.6 Ų121.634%0.33870%0.704SS.*  cis-140.2-172.3-16.643.6-22.3000118.3E308 A309 E311E308-P635 VanDerWaalsContact OE1-CD 3.29Å; E308-P635 WeakPolarHBondContact OE1-CD 3.34Å; A309-P635 WeakPolarHBondContact CB-O 3.27Å; E311-P635 HydrophobicContact CG-CB 3.7Å
636P56.8Low36.8Very low70 Ų70123 Ų12346%0.45570%0.703SS.*  trans-151.9175.416543.7-27.1000119.3V310V310-P636 HydrophobicContact CG1-CG 4.1Å
637S34.1Very low35.8Very low108 Ų108121.4 Ų121.476%0.75571%0.707SS**  trans159.7167.1142.252.90000119.5
638S37.7Very low35.3Very low127 Ų127118.6 Ų118.689%0.88871%0.708SS**  trans79.3150.9170.276.30000120.3
639G36.6Very low34.5Very low69 Ų69116.6 Ų116.671%0.71171%0.707SS**  cis169.2150.4-15.400000116.9
640L33.7Very low34.3Very low177 Ų177114.7 Ų114.793%0.92771%0.712SS**  trans70.2161.3167.7-52.9177000117.9
641T31.1Very low34.4Very low134 Ų134114.6 Ų114.682%0.82272%0.721SS**  cis-130.3-134.819.763.70000114.8
642S29.2Very low35Very low111 Ų111114.8 Ų114.878%0.77673%0.732SS**  trans-170.9163.9-168.3-83.10000119.6
643S31.2Very low35Very low110 Ų110114.1 Ų114.177%0.76973%0.733SS**  trans85121.1148.170.30000125.6
644S29.3Very low34.9Very low116 Ų116118 Ų11881%0.81175%0.752SS**  trans94.5139130.2-680000126.2
645F30.5Very low34.4Very low192 Ų192120 Ų12084%0.84277%0.769SS**  trans99.4159.9148.7-115.9-107.1000123
646Y32.8Very low33.9Very low216 Ų216125.5 Ų125.585%0.84779%0.789SS**  trans-65.7144.4-160.3-86.8-106.8000117
647G29.7Very low32.9Very low80 Ų80127.1 Ų127.183%0.82580%0.803SS**  trans176157.716500000112.9
648S29.6Very low33Very low129 Ų129126.8 Ų126.890%0.90280%0.8SS**  trans-126.1132.6-177.9-1760000113
649G30.8Very low33.1Very low66 Ų66125.9 Ų125.968%0.6879%0.794SS**  trans84.2138.1177.500000114.1
650S30.1Very low33.2Very low118 Ų118129.2 Ų129.283%0.82580%0.795SS**  cis-151.8163.21.8-69.50000111.3
651V39.3Very low33.1Very low143 Ų143128.9 Ų128.987%0.86779%0.786SS**  trans-38.6141.8-178.9-67.90000115.9
652P47.9Very low33.4Very low119 Ų119127 Ų12777%0.77378%0.778SS**  -153.9168.996.242.1-25.7000118.3
653N27.9Very low33.7Very low153 Ų153129.1 Ų129.182%0.81878%0.776SS**  trans72.5161.3149-147.810.9000120.6
654T27.8Very low33.6Very low126 Ų126130.1 Ų130.177%0.77378%0.777SS**  trans-150.5120.3178.9-58.70000112
655S33.3Very low33.7Very low105 Ų105130.2 Ų130.273%0.73478%0.778SS**  trans-169.7130.6161.8-86.60000113.7
656Q33Very low33.5Very low166 Ų166124.6 Ų124.678%0.77677%0.774SS**  trans67.6111.1149.1-57.9-70.6-4.500121.8
657S34.7Very low33.4Very low105 Ų105119.1 Ų119.173%0.73477%0.773SS**  62.9146123.8-57.70000121.3
658S36.4Very low34.1Very low101 Ų101121 Ų12171%0.70677%0.771SS**  cis-172.1162.61.649.20000113.7
659S40Very low35Very low108 Ų108120 Ų12076%0.75576%0.761SS**  trans71.2159.7156.7-61.30000118.7
660L38.4Very low34.8Very low138 Ų138121.9 Ų121.972%0.72376%0.764SS**  cis-153-154.1-14.9-111.9169.4000107.9
661F32.3Very low34.8Very low170 Ų170121.9 Ų121.975%0.74677%0.765SS**  cis-152.4-135.512.4-131.3-54.6000112.3
662S37.8Very low34.7Very low94 Ų94120.1 Ų120.166%0.65776%0.758SS**  trans-160.7-178.6-179.7-74.80000111
663H35.1Very low34Very low157 Ų157122.7 Ų122.773%0.72777%0.765SS**  cis-144.1-171.314.5-48.2-104.8000111.1
664T28.4Very low34.2Very low131 Ų131118.7 Ų118.780%0.80476%0.759SS**  176.4150.985.436.40000114.5
665S31.9Very low34.4Very low117 Ų117122.5 Ų122.582%0.81877%0.766SS**  trans15.6130.1155.758.40000125.4
666G27.2Very low34Very low74 Ų74121.2 Ų121.276%0.76376%0.757SS**  11891.9100.200000122.9
667A28.8Very low33.8Very low101 Ų101117.6 Ų117.684%0.83575%0.75SS**  trans51.2168.8139.300000122.6
668P45.9Very low33.7Very low120 Ų120119.3 Ų119.378%0.77976%0.756SS**  cis-126.3-148.6-43.738.5-19.7000110.1
669P47.8Very low33.6Very low107 Ų107118.4 Ų118.470%0.69576%0.762SS**  -122.8175.2-51.833.6-16.7000115.3
670S26.8Very low32.9Very low106 Ų106116.8 Ų116.874%0.74176%0.763SS**  trans82.1153.2143.781.70000123
671S29.1Very low32.7Very low119 Ų119115.6 Ų115.683%0.83277%0.766SS**  trans83.5155.4156.3-50.20000119.3
672S38.6Very low32.6Very low105 Ų105115.6 Ų115.673%0.73477%0.773SS**  trans-124.3-159.7-172.9600000111.9
673L33.1Very low32.2Very low173 Ų173114 Ų11491%0.90677%0.771SS**  trans79.5153.8-174-45.6171.6000114.5
674G32.1Very low32Very low69 Ų69114 Ų11471%0.71178%0.782SS**  cis135.595.5-11.900000115.7
675F31.7Very low32.1Very low207 Ų207110.6 Ų110.691%0.90877%0.773SS**  trans-171.9165.4176-128.5-141.9000110.2
676S25Very low32.1Very low78 Ų78114.2 Ų114.255%0.54578%0.782SS.*  cis-161.1145.4-14.6-127.60000108.9
677S29.4Very low32.1Very low89 Ų89114.5 Ų114.562%0.62279%0.785SS**  69.4119.388.6-161.80000118.8
678T32.7Very low32.2Very low142 Ų142115.7 Ų115.787%0.87179%0.787SS**  trans55.5148.1146.350.50000121.6
679G32.3Very low31.5Very low81 Ų81114.1 Ų114.184%0.83578%0.784SS**  cis164.5163.7-4.700000113.8
680G27.4Very low30.6Very low75 Ų75117.9 Ų117.977%0.77380%0.797SS**  trans124.8112.6175.300000113.6
681S33Very low30.6Very low113 Ų113116.7 Ų116.779%0.7980%0.802SS**  78128.263.2-162.90000112.8
682L30.6Very low30.6Very low169 Ų169114.3 Ų114.389%0.88580%0.797SS**  cis-119.3-179.313.3-72.5163.6000111.8
683G28.6Very low30.1Very low60 Ų60119.9 Ų119.962%0.61981%0.808SS**  cis140.9135.1-9.600000114.6
684V32.3Very low29.7Very low158 Ų158114.4 Ų114.496%0.95879%0.793SS**  trans68.9136.2177.1-163.80000116
685G29.3Very low29.5Very low59 Ų59116.4 Ų116.461%0.60880%0.796SS**  cis155.3149.7-8.700000113.4
686L31.4Very low29.3Very low194 Ų194111.6 Ų111.6100%1.01679%0.788SS**  trans66.7158.2176.4-59.1167.8000117.5
687G27.3Very low29.2Very low79 Ų79113.8 Ų113.881%0.81480%0.798SS**  trans133.4109167.800000114.9
688S31.2Very low29Very low126 Ų126114.5 Ų114.588%0.88180%0.803SS**  trans-103.8176.8173.4-64.50000112.1
689A31.6Very low28.6Very low88 Ų88113 Ų11373%0.72780%0.799SS**  trans86.2103.6160.400000119.2G691A689-G691 PolarHBondContact O-N 2.93Å
690L28.9Very low28.3Very low185 Ų185114.8 Ų114.897%0.96980%0.798SS**  37.685.3119.5-77.7156.9000117.6
691G26.3Very low28.2Very low81 Ų81117.6 Ų117.684%0.83580%0.801SS**  trans-113.6129149.100000109.1A689A689-G691 PolarHBondContact O-N 2.93Å
692G30.2Very low28Very low70 Ų70117.7 Ų117.772%0.72280%0.801SS**  trans-129.8130.1178.200000111.6
693F27.5Very low27.7Very low221 Ų221115.8 Ų115.897%0.96980%0.802SS**  trans-166.5155.7163.5-129.6-86.9000111
694G25.6Very low27.8Very low58 Ų58118.1 Ų118.160%0.59881%0.809SS**  trans88.699.3144.600000119.7
695S28.2Very low27.6Very low111 Ų111116.6 Ų116.678%0.77680%0.8SS**  66.4107.7127.5-54.80000122.3
696S26.7Very low27.9Very low106 Ų106118.7 Ų118.774%0.74181%0.805SS**  87.9152.6117.374.90000122.2
697V23.7Very low27.8Very low124 Ų124121.3 Ų121.375%0.75280%0.802SS**  trans58.7103.6161.9-67.50000121.8
698S24.2Very low28Very low104 Ų104127.6 Ų127.673%0.72780%0.8SS**  87144.1118.4-59.20000122.6
699S24.6Very low27.7Very low111 Ų111127.5 Ų127.578%0.77679%0.79SS**  trans54.688.6148.553.30000118.7
700S25.3Very low27.6Very low119 Ų119127.5 Ų127.583%0.83279%0.785SS**  trans-36.3145.3146.5-330000115.4
701T25.3Very low27.6Very low134 Ų134126.4 Ų126.482%0.82278%0.779SS**  trans-147.3130.913580000111.8
702S28.5Very low27.8Very low115 Ų115130 Ų13080%0.80478%0.779SS**  trans39.9111.6153.757.40000120.8
703S25.7Very low27.6Very low129 Ų129131.4 Ų131.490%0.90278%0.783SS**  trans-147.8169.9137.956.70000110
704S29.3Very low27.5Very low109 Ų109125.8 Ų125.876%0.76277%0.771SS**  trans-141173.2-162.558.10000113.4
705V28.9Very low27.8Very low125 Ų125127.3 Ų127.376%0.75877%0.772SS**  trans75.7102.1166.6-173.20000118.1
706S34.9Very low27.8Very low103 Ų103129.1 Ų129.172%0.7277%0.773SS**  25.8119129.3-46.70000121.8
707R30.8Very low27.9Very low250 Ų250130.1 Ų130.194%0.94377%0.77SS**  trans175.8166.7134.3-92.3149.7-163.3-133.27.5108.1
708R30.1Very low28.1Very low210 Ų210134.5 Ų134.579%0.79277%0.774SS**  cis-177.1147.9-38.9-166.6-169.3174.5137.83.3104.3
709D25.9Very low28.3Very low125 Ų125140 Ų14067%0.66879%0.785SS**  trans68161.4169.4-66.5-59.8000118.2
710S28.7Very low28.4Very low87 Ų87146.6 Ų146.661%0.60879%0.793SS**  cis-175.5156.4-38.9-93.20000109
711L29.1Very low28.4Very low162 Ų162144.7 Ų144.785%0.84879%0.792SS**  trans71.2153.5174.3-44.1-178.2000114.6
712L30.1Very low28.5Very low158 Ų158142.1 Ų142.183%0.82779%0.793SS**  cis-137156.722.6-72158.1000113.6
713A27.3Very low28.3Very low99 Ų99142.8 Ų142.882%0.81880%0.798SS**  trans37.8148.4141.500000122.8
714S25.6Very low28.3Very low102 Ų102142 Ų14271%0.71379%0.792SS**  cis-170.3162.3-17.6-175.50000109
715S30.8Very low28.2Very low90 Ų90144.1 Ų144.163%0.62979%0.794SS**  trans24.4129152.552.40000119.8
716D28.9Very low28.3Very low149 Ų149144 Ų14480%0.79779%0.793SS**  -164.8-178.964.4-111.6-50.1000115.7
717L28.9Very low28.6Very low128 Ų128144.1 Ų144.167%0.6779%0.792SS**  trans-89.9167.2-169.7-88.174.6000117.3
718Y27.6Very low28.3Very low215 Ų215140.5 Ų140.584%0.84379%0.79SS**  trans111.7147.2147.8-61.4-70.2000120.3
719K27.4Very low28.1Very low219 Ų219134 Ų13495%0.95279%0.787SS**  trans80.8161.8176.7-76.3-176.7175.6175.90118.3
720R26.7Very low28.4Very low250 Ų250136.6 Ų136.694%0.94380%0.795SS**  trans-132.1134.1-151.7170.1-156.7-93-169.7-5.8111.1
721G25.4Very low29.2Very low79 Ų79136.8 Ų136.881%0.81480%0.795SS**  trans109.4147.3150.700000116.6
722G26.9Very low29Very low81 Ų81137.4 Ų137.484%0.83579%0.791SS**  trans113.1109.6176.200000112.8
723S26.3Very low28.8Very low129 Ų129139.1 Ų139.190%0.90279%0.788SS**  trans-113.4137.9-178.9-53.30000111.7
724S25Very low28.9Very low112 Ų112141.1 Ų141.178%0.78379%0.785SS**  trans-151.5126.6162.544.60000112.8
725L26.5Very low28.8Very low153 Ų153141.9 Ų141.980%0.80179%0.79SS**  trans62.9100.7152.9-55.6175.2000120.1
726T32.4Very low28.7Very low122 Ų122146.1 Ų146.175%0.74881%0.805SS**  42.8147.8118.760.20000121.1
727P40.4Very low28.6Very low107 Ų107142.4 Ų142.470%0.69580%0.802SS**  cis-156.4-172.840.446.7-25.9000119.2
728I24.4Very low28.8Very low174 Ų174147.6 Ų147.689%0.89281%0.814SS**  trans71134158-67.1161.7000119.6
729G25.3Very low28.6Very low72 Ų72143.1 Ų143.174%0.74281%0.814SS**  trans139.594.515500000117.9
730Q32.4Very low28.7Very low180 Ų180137.1 Ų137.184%0.84180%0.8SS**  trans-96.9178.1164.5-78.4-78.3-14.500109.3
731P45.8Very low28.8Very low92 Ų92130.7 Ų130.760%0.59779%0.793SS**  cis-149-172.221.6272.3000118.7
732F25.3Very low29.8Very low174 Ų174132 Ų13276%0.76379%0.787SS**  trans74.2141.7162.1-63.1-75.6000119.8
733Y26.3Very low30.2Very low194 Ų194133.8 Ų133.876%0.76179%0.787SS**  cis-160.7175.2-23.3-144.6-119.5000112
734N27.7Very low31.1Very low141 Ų141132.8 Ų132.875%0.75478%0.778SS**  trans-35.9149-174.5-75.8-7.6000121.2
735S23.7Very low31.4Very low118 Ų118135.5 Ų135.583%0.82578%0.781SS**  -156.7132.5122.6-167.30000112.9
736L29.1Very low31.4Very low180 Ų180131.1 Ų131.194%0.94277%0.773SS**  trans-149.7140.6164.7-90.8179.4000109.5
737G26.8Very low31.2Very low71 Ų71133.5 Ų133.573%0.73278%0.781SS**  trans-141.7154.817800000111.8
738Y33.2Very low30.7Very low236 Ų236134.8 Ų134.893%0.92579%0.787SS**  trans-88.3153.2-170.4-79.8-100000114.5
739S23.5Very low31.2Very low122 Ų122132.4 Ų132.485%0.85378%0.783SS**  trans-158.6158.8143.1-167.80000110.6
740S28.6Very low31.2Very low93 Ų93132.1 Ų132.165%0.6578%0.78SS**  trans-148.8130-171.1-67.10000115
741S29.7Very low31Very low115 Ų115133.2 Ų133.280%0.80478%0.784SS**  trans69.716915682.50000118.4
742P46.3Very low30.6Very low106 Ų106134.4 Ų134.469%0.68880%0.795SS**  cis-136.9148-5.337-18.8000118.2
743S35.6Very low31.4Very low118 Ų118131.3 Ų131.383%0.82579%0.792SS**  trans51172.5140.6-56.20000122.2
744P45.8Very low31.5Very low109 Ų109129.2 Ų129.271%0.70879%0.793SS**  cis-138.9177.13.644.3-25.7000118.7
745I30.6Very low31.8Very low168 Ų168128.6 Ų128.686%0.86280%0.795SS**  trans36.1141.1142.6-59.6162.1000121.1
746G26.1Very low32.6Very low61 Ų61128.1 Ų128.163%0.62979%0.789SS**  cis153.1173.4-2.400000114.6
747L29.4Very low33Very low172 Ų172125.2 Ų125.290%0.90178%0.781SS**  trans75160.1177.1-42.4176.9000116
748T28.7Very low33.3Very low134 Ų134128 Ų12882%0.82279%0.786SS**  cis-134.8-168.512.770.50000111.1
749P35.1Very low33.1Very low125 Ų125122.3 Ų122.381%0.81278%0.781SS**  trans-118.9157.3-153.443.3-36.1000120.6
750G25.6Very low33.6Very low66 Ų66124.9 Ų124.968%0.6878%0.784SS**  90.4107.2124.800000121.7
751H29Very low33.8Very low202 Ų202126.1 Ų126.194%0.93579%0.79SS**  trans-152144.5142.3-85.7-69.5000109.8
752S35.8Very low33.8Very low117 Ų117126.2 Ų126.282%0.81879%0.791SS**  trans-108.6178.5-173.6-50.20000110.8
753P42.7Very low33.1Very low109 Ų109125.6 Ų125.671%0.70879%0.789SS**  cis-147.6-168.21046.4-26.5000117.8
754L29.2Very low32.9Very low150 Ų150129 Ų12979%0.78579%0.791SS**  trans80.6128.4150.1-73.3172.6000123.6
755T33.8Very low32Very low128 Ų128127.7 Ų127.779%0.78580%0.797SS**  trans85.4148.4145.6490000122
756P40.2Very low31.9Very low108 Ų108125.9 Ų125.970%0.70180%0.799SS**  trans-106.5167.1-155.541.3-35.4000115.8
757P37Very low32.2Very low120 Ų120128.1 Ų128.178%0.77981%0.806SS**PPolyproline II helixtrans-74.3145.5176.830.8-36.1000113.5
758P33.4Very low32.3Very low129 Ų129125.1 Ų125.184%0.83880%0.799SS**PPolyproline II helixtrans-90152.4-178.635.1-35.5000114.5
759S30Very low32.3Very low116 Ų116124 Ų12481%0.81180%0.796SS**PPolyproline II helixtrans-83.2156.8177.9-50.90000114.1
760L33.4Very low32.1Very low177 Ų177125.2 Ų125.293%0.92780%0.795SS**PPolyproline II helixtrans-73.8134.4168.6-67.4167.2000111.6
761P33.3Very low32.2Very low119 Ų119129.8 Ų129.877%0.77380%0.798SS**PPolyproline II helixtrans-100.5145.5174.436.2-32.1000114.1
762S29Very low32.2Very low117 Ų117127.8 Ų127.882%0.81879%0.794SS**PPolyproline II helixtrans-91.6169.2157.2-51.90000108.7
763S31Very low31.7Very low92 Ų92126 Ų12664%0.64379%0.794SS**  cis-170.4172.930.554.50000112.9
764H31.5Very low31.1Very low191 Ų191124.4 Ų124.488%0.88480%0.798SS**  trans59.4132.5159.2-62.5-65.6000121.9
765G27.1Very low31.3Very low80 Ų80125 Ų12583%0.82580%0.8SS**  trans169.5114.3164.200000115
766S29.2Very low31.1Very low130 Ų130124.8 Ų124.891%0.90980%0.8SS**  trans-60178.1-172.3-56.50000119
767S31.1Very low30.9Very low109 Ų109127.9 Ų127.976%0.76281%0.81SS**  trans-80.9149-170.9-38.60000117.2
768S31.6Very low30.7Very low108 Ų108125.4 Ų125.476%0.75581%0.806SS**  trans105.5124.7145-41.20000120
769S30.2Very low30.8Very low110 Ų110124.9 Ų124.977%0.76981%0.806SS**  trans81.2126.3145.8-76.80000123.3
770L30.3Very low30.9Very low152 Ų152122.6 Ų122.680%0.79680%0.8SS**  trans88146137.4-73.1171000122.6
771H27.6Very low31.1Very low161 Ų161123.7 Ų123.775%0.74579%0.792SS**  trans61.8101.7161.6-82-80.1000122.6
772L28.1Very low31.2Very low160 Ų160126.5 Ų126.584%0.83879%0.788SS**  57.995.6110.2-16870.4000120.5
773G27Very low31.4Very low80 Ų80129 Ų12983%0.82579%0.791SS**  trans86165.8139.500000119
774G28.7Very low31.5Very low76 Ų76129.9 Ų129.978%0.78480%0.797SS**  trans104.691.3160.500000118.7
775L33.8Very low31.7Very low161 Ų161125.2 Ų125.284%0.84379%0.792SS**  trans21.2136.2136.6-58.5175.3000122.9
776T30.6Very low32.1Very low125 Ų125126.1 Ų126.177%0.76779%0.791SS**  trans67.4113.1138.554.60000123.4
777N35.3Very low32.6Very low173 Ų173126 Ų12693%0.92579%0.787SS**  62130.4120.2-159.236.2000122.4
778G32.2Very low32.5Very low67 Ų67124.4 Ų124.469%0.69179%0.788SS**  trans130.389.4145.900000121.7
779S35.5Very low32.7Very low119 Ų119123.8 Ų123.883%0.83279%0.79SS**  trans23.7110.2140177.90000123.9
780G33.2Very low32.7Very low67 Ų67127.1 Ų127.169%0.69179%0.793SS**  95.8144.898.800000124
781R37.7Very low32.9Very low200 Ų200123.9 Ų123.976%0.75579%0.788SS**  trans74.7146.7154.1-57.8-177.3175.6-142-6.3118
782Y35.3Very low33.2Very low178 Ų178124.6 Ų124.670%0.69879%0.789SS**  cis-167.8-178.5-11-98.5-28.8000111
783I32Very low33.4Very low170 Ų170125.1 Ų125.187%0.87278%0.781SS**  trans94.3150.3159.5-48.5-171.4000117.3
784S33.4Very low33.7Very low110 Ų110132 Ų13277%0.76978%0.782SS**  trans-127.7171.8-161.8-51.90000114.5
785A35.8Very low33.8Very low94 Ų94134.2 Ų134.278%0.77779%0.786SS**  trans83.7110.8155.400000120.6
786A36.1Very low33.7Very low99 Ų99131.2 Ų131.282%0.81878%0.784SS**  trans45.4164.4130.600000122
787P38.6Very low33.7Very low127 Ų127129.1 Ų129.183%0.82579%0.788SS**  cis-137.3172.81.842.7-26.2000117.2
788G29.6Very low33.4Very low76 Ų76124 Ų12478%0.78478%0.776SS**  97.6174.2127.100000122.2
789A34.9Very low33.5Very low95 Ų95128.1 Ų128.179%0.78579%0.788SS**  trans81.392.816600000121.5
790E32.2Very low33.3Very low180 Ų180127.4 Ų127.484%0.84178%0.783SS**  49.7124.6127.8-59.7-16593.200124.3
791A34.1Very low33.2Very low84 Ų84129.3 Ų129.369%0.69479%0.785SS**  41.3152.6123.200000121.4
792K33.3Very low33.2Very low175 Ų175127.5 Ų127.576%0.76179%0.79SS**  177.2170.953.5-145.3167-172163.90110.7
793Y33Very low33.1Very low172 Ų172129.5 Ų129.568%0.67580%0.803SS**  trans76.8100.3162.6-84.2-95.3000123.2
794R32.1Very low33Very low223 Ų223127.7 Ų127.784%0.84280%0.795SS**  74.9140.9122.7-76.1-165.7-175.6-177.1-0.4124.2
795S30.4Very low32.9Very low123 Ų123126.4 Ų126.486%0.8679%0.786SS**  trans-93.1154.4-178.7-4.90000115.3
796A33Very low32.8Very low98 Ų98127 Ų12781%0.8178%0.784SS**  trans-149.8150.8132.300000105.8
797G29.8Very low32.9Very low81 Ų81128.1 Ų128.184%0.83579%0.786SS**  cis89.4118.338.400000108.7
798G30Very low33.2Very low66 Ų66130.7 Ų130.768%0.6879%0.787SS**  cis171.2-155.7100000110.2
799T33Very low33.6Very low153 Ų153134 Ų13494%0.93979%0.786SS**  trans68.5-177170.978.30000117.8
800S32.1Very low33.8Very low105 Ų105138.5 Ų138.573%0.73479%0.788SS**  trans-159.9-162.8-136590000113.7
801S31.1Very low34.3Very low106 Ų106135.6 Ų135.674%0.74179%0.785SS**  trans73.5131.1-170.671.90000114.1
802L36.8Very low34.6Very low163 Ų163137.3 Ų137.385%0.85379%0.789SS**  cis73.296.841.5-60.4170.1000113.6
803F34.8Very low35Very low219 Ų219134.5 Ų134.596%0.96179%0.791SS**  -161.2-169.4125.7-126.4-94.8000111.6
804N28.1Very low35.3Very low133 Ų133137 Ų13771%0.71180%0.8SS**  trans-132.5162.1-150.9-179.136.9000114.1
805S32.3Very low35.8Very low83 Ų83132.4 Ų132.458%0.5880%0.798SS**  trans70.9114.5156.6-800000122.1
806S34.2Very low36.1Very low105 Ų105137.7 Ų137.773%0.73480%0.8SS**  82.1157.7118.8-58.40000122.2
807S36.8Very low36.3Very low123 Ų123143.5 Ų143.586%0.8680%0.802SS**  trans90.7136.6163.6-57.30000117.8
808Q44.9Very low36.7Very low182 Ų182143.4 Ų143.485%0.8579%0.788SS**  trans-85.8160.3-176.3-58.5171.7-1100111.4
809L38.8Very low37.2Very low146 Ų146151.5 Ų151.576%0.76480%0.799SS**  179165.6121-92.8158.1000110.4
810F40.2Very low37.6Very low188 Ų188148.1 Ų148.183%0.82578%0.781SS**  trans67.7110.3179.4-49.9-72.3000117.7P812F810-P812 WeakPolarHBondContact O-CD 3.16Å
811P40.7Very low38.2Very low120 Ų120149.3 Ų149.378%0.77978%0.779SS**  trans-90.8117.2165.933.2-28.8000111.8S813P811-S813 PolarHBondContact O-N 2.87Å
812P41.4Very low39.3Very low119 Ų119149.7 Ų149.777%0.77378%0.777SS**  trans-83.7105.6170.831.2-31.6000110.9F810 R814F810-P812 WeakPolarHBondContact O-CD 3.16Å; P812-R814 PolarHBondContact O-N 3.3Å
813S41.4Very low40Very low116 Ų116149.8 Ų149.881%0.81178%0.775SS**  trans-62.995.4-179.1-58.90000113.4P811P811-S813 PolarHBondContact O-N 2.87Å
814R40.3Very low40.9Very low226 Ų226144 Ų14485%0.85376%0.759SS**  trans-140.2116.8158-74.1-165.9178.2-156.70.2110.6P812 R816P812-R814 PolarHBondContact O-N 3.3Å; R814-R816 VanDerWaalsContact C-N 3.3Å; R814-R816 PolarHBondContact O-N 3.34Å
815P41.6Very low42.4Very low125 Ų125140.6 Ų140.681%0.81275%0.746SS**  trans-68.294.4161.529.5-31.7000108.2Y817P815-Y817 PolarHBondContact O-N 3.23Å; P815-Y817 VanDerWaalsContact O-N 3.16Å
816R37.3Very low44.8Very low234 Ų234140.3 Ų140.388%0.88376%0.756SS**  trans-62.1113.9154.3-82.1-175.6173.2170-1105.7R814 S818R814-R816 VanDerWaalsContact C-N 3.3Å; R814-R816 PolarHBondContact O-N 3.34Å; R816-S818 PolarHBondContact O-N 3.25Å
817Y37.4Very low47.5Very low221 Ų221139.8 Ų139.887%0.86774%0.738SS**  trans-51.8109.3162.7-95.5-96.4000107.6P815 R819P815-Y817 PolarHBondContact O-N 3.23Å; P815-Y817 VanDerWaalsContact O-N 3.16Å; Y817-R819 PolarHBondContact O-N 3.22Å
818S36.8Very low50.3Low78 Ų78135.2 Ų135.255%0.54571%0.706SS.*  trans-65.9133.9171.8-172.90000107.1R816 S820R816-S818 PolarHBondContact O-N 3.25Å; S818-S820 PolarHBondContact O-N 2.83Å; S818-S820 PolarHBondContact OG-OG 3.5Å
819R41.1Very low52.6Low237 Ų237135.9 Ų135.989%0.89470%0.701SS**THydrogen-bonded Turntrans-79.247.4178.8-159.8-177.5-176.6-172.31.3110.8Y817Y817-R819 PolarHBondContact O-N 3.22Å
820S41.9Very low55.3Low82 Ų82130.7 Ų130.757%0.57367%0.674SS**THydrogen-bonded Turntrans-95.3-30.8-176.6-63.70000111.7S818 V822S818-S820 PolarHBondContact O-N 2.83Å; S818-S820 PolarHBondContact OG-OG 3.5Å; S820-V822 PolarHBondContact O-N 3.17Å
821D43.7Very low57.9Low130 Ų130121.8 Ų121.870%0.69564%0.635SS**  trans-86.744-173.5-50.9-49.2000113.1M823D821-M823 PolarHBondContact O-N 3.45Å
822V55Low60.5Low114 Ų114119 Ų11969%0.69161%0.611SS**SBendtrans-78.3110.1153.9179.30000105.4S820S820-V822 PolarHBondContact O-N 3.17Å
823M51.9Low63Low164 Ų164114.1 Ų114.181%0.80858%0.579SS**  trans-52.5139.8-174.1-79.8-69.7168.900111.8D821D821-M823 PolarHBondContact O-N 3.45Å
824P53Low65.6Low98 Ų98110.3 Ų110.364%0.63655%0.547SS*.  trans-72.7155.8-15327.1-36.2000114.3G826P824-G826 PolarHBondContact O-N 3.06Å
825S60.1Low68.2Low61 Ų61103.8 Ų103.843%0.42752%0.523SS..  trans-60.510.8172.8-1750000114.1R827 E832S825-R827 PolarHBondContact O-N 3.23Å; S825-R827 PolarHBondContact O-NH1 3.04Å; S825-R827 VanDerWaalsContact O-NH1 3.09Å; S825-R827 PolarHBondContact OG-NH1 2.84Å; S825-E832 WeakPolarHBondContact CB-OE2 3.24Å; S825-E832 PolarHBondContact OG-OE2 3.42Å
826G82.8Confident70.6Confident77 Ų77102.6 Ų102.679%0.79451%0.51SS*.SBendtrans67.3-23.2-157.500000113.9P824P824-G826 PolarHBondContact O-N 3.06Å
827R90.7Very high73.2Confident94 Ų9497.1 Ų97.136%0.35550%0.498SS..SBendtrans-85.8151.1-178.8-60.4175.1-179.87011.1112.5S825 L831 E853 D857S825-R827 PolarHBondContact O-N 3.23Å; S825-R827 PolarHBondContact O-NH1 3.04Å; S825-R827 VanDerWaalsContact O-NH1 3.09Å; S825-R827 PolarHBondContact OG-NH1 2.84Å; R827-L831 HydrophobicContact CB-CB 4.45Å; R827-L831 HydrophobicContact CB-CD2 4.05Å; R827-L831 HydrophobicContact CB-CG 4.45Å; R827-L831 HydrophobicContact CG-CD2 3.72Å; R827-L831 HydrophobicContact CG-CG 4.42Å; R827-E853 WeakPolarHBondContact CA-OE1 3.44Å; R827-D857 IonicContact CZ-OD2 3.18Å; R827-D857 IonicContact NE-OD2 2.9Å; R827-D857 PolarHBondContact NE-OD2 3.17Å; R827-D857 IonicContact NH2-OD2 3.63Å
828S95.1Very high75.8Confident28 Ų2894.5 Ų94.520%0.19649%0.487CS..  trans-65.7158.5165.671.80000111.5L830 L831 E832 H850 E853S828-L830 PolarHBondContact O-N 3.29Å; S828-L831 PolarHBondContact O-N 3.39Å; S828-L831 PolarHBondContact OG-N 3.22Å; S828-E832 PolarHBondContact O-N 3.31Å; S828-H850 WeakPolarHBondContact CB-CE1 3.25Å; S828-H850 PolarHBondContact OG-CE1 3.45Å; S828-H850 PolarHBondContact OG-ND1 3.43Å; S828-E853 WeakPolarHBondContact CB-OE1 3.3Å; S828-E853 WeakPolarHBondContact CB-OE2 3.31Å; S828-E853 PolarHBondContact N-OE1 3.43Å; S828-E853 VanDerWaalsContact OG-CD 3.25Å; S828-E853 PolarHBondContact OG-OE1 2.93Å; S828-E853 VanDerWaalsContact OG-OE1 3.04Å; S828-E853 PolarHBondContact OG-OE2 3.4Å
829R93.6Very high78.3Confident196 Ų19695.1 Ų95.174%0.7448%0.48SS*.Hα-helixtrans-60.8-33.2173-179.2174.3173-175.9-2.9112.5E832 D833R829-E832 PolarHBondContact O-N 3.2Å; R829-D833 WeakPolarHBondContact CG-OD2 3.26Å; R829-D833 IonicContact NE-OD2 3.49Å; R829-D833 PolarHBondContact NE-OD2 3.35Å; R829-D833 VanDerWaalsContact NE-OD2 3.12Å; R829-D833 VanDerWaalsContact O-CB 3.32Å; R829-D833 WeakPolarHBondContact O-CB 3.41Å; R829-D833 PolarHBondContact O-N 3.3Å
830L95Very high80.4Confident36 Ų3688.1 Ų88.119%0.18847%0.465CS..Hα-helixtrans-65.5-45.6179.6-178.861.2000111.2S828 F834 F839 L847 H850 F854S828-L830 PolarHBondContact O-N 3.29Å; L830-F834 VanDerWaalsContact O-CB 3.26Å; L830-F834 WeakPolarHBondContact O-CB 3.31Å; L830-F834 PolarHBondContact O-N 3.1Å; L830-F839 HydrophobicContact CD1-CD2 4.11Å; L830-F839 HydrophobicContact CD1-CE2 3.92Å; L830-L847 HydrophobicContact CD2-CD2 3.97Å; L830-L847 HydrophobicContact CG-CD2 4.48Å; L830-H850 HydrophobicContact CD2-CB 4.29Å; L830-F854 HydrophobicContact CD2-CE2 4.35Å; L830-F854 HydrophobicContact CG-CE2 4.13Å; L830-F854 HydrophobicContact CG-CZ 4.08Å
831L95.3Very high82.7Confident2 Ų290.6 Ų90.61%0.0147%0.472CS..Hα-helixtrans-66.1-40.7176.1179.858.6000111.8R827 S828 F834 R835 E853 F854 D857R827-L831 HydrophobicContact CB-CB 4.45Å; R827-L831 HydrophobicContact CB-CD2 4.05Å; R827-L831 HydrophobicContact CB-CG 4.45Å; R827-L831 HydrophobicContact CG-CD2 3.72Å; R827-L831 HydrophobicContact CG-CG 4.42Å; S828-L831 PolarHBondContact O-N 3.39Å; S828-L831 PolarHBondContact OG-N 3.22Å; L831-F834 HydrophobicContact CD1-CD1 4.36Å; L831-F834 PolarHBondContact O-N 2.96Å; L831-R835 HydrophobicContact CD1-CG 4.16Å; L831-R835 HydrophobicContact CG-CG 4.47Å; L831-R835 WeakPolarHBondContact O-CB 3.48Å; L831-R835 VanDerWaalsContact O-CG 3.24Å; L831-R835 WeakPolarHBondContact O-CG 3.5Å; L831-R835 PolarHBondContact O-N 3.46Å; L831-E853 WeakPolarHBondContact CB-OE1 3.28Å; L831-E853 HydrophobicContact CD2-CG 4.03Å; L831-E853 VanDerWaalsContact CD2-OE1 3.31Å; L831-E853 WeakPolarHBondContact CD2-OE1 3.45Å; L831-F854 HydrophobicContact CB-CD2 4.13Å; L831-F854 HydrophobicContact CB-CE2 3.58Å; L831-F854 HydrophobicContact CB-CZ 4.04Å; L831-F854 HydrophobicContact CD1-CD1 4.08Å; L831-F854 HydrophobicContact CD1-CD2 3.97Å; L831-F854 HydrophobicContact CD1-CE1 3.98Å; L831-F854 HydrophobicContact CD1-CE2 3.89Å; L831-F854 HydrophobicContact CD1-CG 4.07Å; L831-F854 HydrophobicContact CD1-CZ 3.89Å; L831-F854 HydrophobicContact CG-CD2 4.49Å; L831-F854 HydrophobicContact CG-CE2 4.29Å; L831-D857 HydrophobicContact CD1-CB 3.91Å; L831-D857 HydrophobicContact CD2-CB 3.68Å; L831-D857 HydrophobicContact CG-CB 4.38Å
832E95.1Very high85.1Confident61 Ų6184.9 Ų84.929%0.28544%0.441SS..Hα-helixtrans-68.9-45.9178.5-164.163.2-114.500112S825 S828 R829 F834 R835 N836S825-E832 WeakPolarHBondContact CB-OE2 3.24Å; S825-E832 PolarHBondContact OG-OE2 3.42Å; S828-E832 PolarHBondContact O-N 3.31Å; R829-E832 PolarHBondContact O-N 3.2Å; E832-F834 VanDerWaalsContact C-N 3.31Å; E832-F834 PolarHBondContact O-N 3.13Å; E832-R835 PolarHBondContact O-N 2.83Å; E832-N836 WeakPolarHBondContact O-CB 3.41Å; E832-N836 PolarHBondContact O-N 3.05Å; E832-N836 PolarHBondContact O-ND2 3.03Å; E832-N836 PolarHBondContact OE1-ND2 3.25Å
833D94.3Very high86.9Confident16 Ų1682.1 Ų82.19%0.08642%0.421CS..Hα-helixtrans-64-33.4174-85.9-47.6000111.4R829 N837 R838 F839R829-D833 WeakPolarHBondContact CG-OD2 3.26Å; R829-D833 IonicContact NE-OD2 3.49Å; R829-D833 PolarHBondContact NE-OD2 3.35Å; R829-D833 VanDerWaalsContact NE-OD2 3.12Å; R829-D833 VanDerWaalsContact O-CB 3.32Å; R829-D833 WeakPolarHBondContact O-CB 3.41Å; R829-D833 PolarHBondContact O-N 3.3Å; D833-N837 PolarHBondContact O-N 3.42Å; D833-R838 HydrophobicContact CB-CB 4.24Å; D833-R838 VanDerWaalsContact O-CB 3.25Å; D833-R838 WeakPolarHBondContact O-CB 3.28Å; D833-R838 PolarHBondContact O-N 3.13Å; D833-R838 IonicContact OD1-CZ 2.69Å; D833-R838 IonicContact OD1-NE 2.99Å; D833-R838 PolarHBondContact OD1-NE 3.17Å; D833-R838 IonicContact OD1-NH2 3.94Å; D833-R838 PolarHBondContact OD1-NH2 3.08Å; D833-F839 HydrophobicContact CB-CD2 3.93Å; D833-F839 HydrophobicContact CB-CE2 3.54Å
834F95.8Very high89Confident36 Ų3674.4 Ų74.416%0.15838%0.383CS..Hα-helixtrans-64.9-50.7171170.9-108.7000112.6L830 L831 E832 N836 N837 L842 F854 H859 F863L830-F834 VanDerWaalsContact O-CB 3.26Å; L830-F834 WeakPolarHBondContact O-CB 3.31Å; L830-F834 PolarHBondContact O-N 3.1Å; L831-F834 HydrophobicContact CD1-CD1 4.36Å; L831-F834 PolarHBondContact O-N 2.96Å; E832-F834 VanDerWaalsContact C-N 3.31Å; E832-F834 PolarHBondContact O-N 3.13Å; F834-N836 PolarHBondContact O-N 3.31Å; F834-N837 WeakPolarHBondContact O-CA 3.43Å; F834-N837 PolarHBondContact O-N 3.11Å; F834-L842 HydrophobicContact CB-CD2 4.17Å; F834-L842 HydrophobicContact CD2-CB 4.47Å; F834-L842 HydrophobicContact CD2-CD2 3.53Å; F834-L842 HydrophobicContact CE2-CD2 4.18Å; F834-L842 HydrophobicContact CG-CD2 3.95Å; F834-F854 HydrophobicContact CB-CE1 4.13Å; F834-F854 HydrophobicContact CB-CZ 4.03Å; F834-F854 HydrophobicContact CD1-CD1 4.38Å; F834-F854 AromaticContact CD1-CE1 3.58Å; F834-F854 HydrophobicContact CD1-CE1 3.58Å; F834-F854 HydrophobicContact CD1-CZ 4.26Å; F834-F854 HydrophobicContact CE1-CE1 4.19Å; F834-F854 AromaticContact CG-CE1 3.86Å; F834-F854 HydrophobicContact CG-CE1 3.86Å; F834-F854 HydrophobicContact CG-CZ 4.28Å; F834-H859 HydrophobicContact CE1-CB 4.08Å; F834-F863 HydrophobicContact CE1-CB 4.18Å; F834-F863 AromaticContact CE2-CD2 3.79Å; F834-F863 HydrophobicContact CE2-CD2 3.79Å; F834-F863 HydrophobicContact CE2-CE2 4.2Å; F834-F863 HydrophobicContact CE2-CG 4.29Å; F834-F863 HydrophobicContact CZ-CB 3.73Å; F834-F863 AromaticContact CZ-CD2 3.74Å; F834-F863 HydrophobicContact CZ-CD2 3.74Å; F834-F863 AromaticContact CZ-CG 3.88Å; F834-F863 HydrophobicContact CZ-CG 3.88Å
835R94.3Very high90.9Very high89 Ų8977.4 Ų77.434%0.33638%0.381SS..Hα-helixtrans-57.8-34.7177.6-75.5167.957.890.717.1112.2L831 E832 N837 D857 H859L831-R835 HydrophobicContact CD1-CG 4.16Å; L831-R835 HydrophobicContact CG-CG 4.47Å; L831-R835 WeakPolarHBondContact O-CB 3.48Å; L831-R835 VanDerWaalsContact O-CG 3.24Å; L831-R835 WeakPolarHBondContact O-CG 3.5Å; L831-R835 PolarHBondContact O-N 3.46Å; E832-R835 PolarHBondContact O-N 2.83Å; R835-N837 PolarHBondContact O-N 2.77Å; R835-D857 IonicContact CZ-OD2 3.64Å; R835-D857 IonicContact NE-OD2 3.71Å; R835-D857 VanDerWaalsContact NH1-CG 3.34Å; R835-D857 IonicContact NH1-OD1 2.77Å; R835-D857 PolarHBondContact NH1-OD1 3.29Å; R835-D857 VanDerWaalsContact NH1-OD1 3.14Å; R835-D857 IonicContact NH1-OD2 2.74Å; R835-D857 PolarHBondContact NH1-OD2 3.04Å; R835-H859 HydrophobicContact CG-CB 4.38Å; R835-H859 PolarHBondContact NH1-CD2 2.85Å
836N93.7Very high92.5Very high100 Ų10077.9 Ų77.954%0.53538%0.379SS..THydrogen-bonded Turntrans-8316.3174.4-69.5-76.6000113.8E832 F834 R838E832-N836 WeakPolarHBondContact O-CB 3.41Å; E832-N836 PolarHBondContact O-N 3.05Å; E832-N836 PolarHBondContact O-ND2 3.03Å; E832-N836 PolarHBondContact OE1-ND2 3.25Å; F834-N836 PolarHBondContact O-N 3.31Å; N836-R838 VanDerWaalsContact C-N 3.27Å; N836-R838 HydrophobicContact CB-CG 4.18Å; N836-R838 WeakPolarHBondContact O-CG 3.48Å; N836-R838 PolarHBondContact O-N 3.4Å
837N91.6Very high93.1Very high120 Ų12074.2 Ų74.264%0.64234%0.341SS*.THydrogen-bonded Turntrans54.934.2177.7-165.327.7000114.6D833 F834 R835D833-N837 PolarHBondContact O-N 3.42Å; F834-N837 WeakPolarHBondContact O-CA 3.43Å; F834-N837 PolarHBondContact O-N 3.11Å; R835-N837 PolarHBondContact O-N 2.77Å
838R91.1Very high93.3Very high166 Ų16673 Ų7363%0.62635%0.346SS*.SBendtrans-89.5-14.4-179.8-52.8-128.9-74.7-160.1-9.6112.9D833 N836 P840D833-R838 HydrophobicContact CB-CB 4.24Å; D833-R838 VanDerWaalsContact O-CB 3.25Å; D833-R838 WeakPolarHBondContact O-CB 3.28Å; D833-R838 PolarHBondContact O-N 3.13Å; D833-R838 IonicContact OD1-CZ 2.69Å; D833-R838 IonicContact OD1-NE 2.99Å; D833-R838 PolarHBondContact OD1-NE 3.17Å; D833-R838 IonicContact OD1-NH2 3.94Å; D833-R838 PolarHBondContact OD1-NH2 3.08Å; N836-R838 VanDerWaalsContact C-N 3.27Å; N836-R838 HydrophobicContact CB-CG 4.18Å; N836-R838 WeakPolarHBondContact O-CG 3.48Å; N836-R838 PolarHBondContact O-N 3.4Å; R838-P840 VanDerWaalsContact C-CD 3.44Å; R838-P840 WeakPolarHBondContact O-CD 3.28Å
839F88.7Confident93.2Very high90 Ų9074.8 Ų74.840%0.39537%0.368SS..  trans-119.869.3170.8-62-63000111.4L830 D833 N841 L842L830-F839 HydrophobicContact CD1-CD2 4.11Å; L830-F839 HydrophobicContact CD1-CE2 3.92Å; D833-F839 HydrophobicContact CB-CD2 3.93Å; D833-F839 HydrophobicContact CB-CE2 3.54Å; F839-N841 PolarHBondContact O-N 3.3Å; F839-L842 HydrophobicContact CB-CB 4.19Å; F839-L842 HydrophobicContact CB-CD1 4.11Å; F839-L842 HydrophobicContact CG-CD1 4.49Å; F839-L842 WeakPolarHBondContact O-CB 3.42Å; F839-L842 PolarHBondContact O-N 2.97Å
840P85Confident93.4Very high91 Ų9168.1 Ų68.159%0.59135%0.345SS*.THydrogen-bonded Turntrans-65.3-21.3-176.426.8-36.1000114R838R838-P840 VanDerWaalsContact C-CD 3.44Å; R838-P840 WeakPolarHBondContact O-CD 3.28Å
841N90.9Very high93.4Very high134 Ų13466.4 Ų66.472%0.71734%0.336SS*.THydrogen-bonded Turntrans-106.718.7-176.7-68.8-31.2000113.7F839 Q843F839-N841 PolarHBondContact O-N 3.3Å; N841-Q843 PolarHBondContact O-NE2 3.23Å
842L93.7Very high93.5Very high9 Ų968 Ų685%0.04735%0.346CS..  trans-57.1146.1-177-162.266.7000112.3F834 F839 D846 L847 F854 F863 K867F834-L842 HydrophobicContact CB-CD2 4.17Å; F834-L842 HydrophobicContact CD2-CB 4.47Å; F834-L842 HydrophobicContact CD2-CD2 3.53Å; F834-L842 HydrophobicContact CE2-CD2 4.18Å; F834-L842 HydrophobicContact CG-CD2 3.95Å; F839-L842 HydrophobicContact CB-CB 4.19Å; F839-L842 HydrophobicContact CB-CD1 4.11Å; F839-L842 HydrophobicContact CG-CD1 4.49Å; F839-L842 WeakPolarHBondContact O-CB 3.42Å; F839-L842 PolarHBondContact O-N 2.97Å; L842-D846 HydrophobicContact CD1-CB 3.54Å; L842-D846 HydrophobicContact CG-CB 4.35Å; L842-L847 HydrophobicContact CD2-CD2 3.82Å; L842-L847 HydrophobicContact CG-CD2 4.36Å; L842-F854 HydrophobicContact CD2-CE1 4.11Å; L842-F854 HydrophobicContact CD2-CZ 4.39Å; L842-F863 HydrophobicContact CB-CE2 3.94Å; L842-F863 HydrophobicContact CB-CZ 3.84Å; L842-F863 HydrophobicContact CD2-CE1 4.48Å; L842-F863 HydrophobicContact CD2-CZ 4.14Å; L842-F863 HydrophobicContact CG-CE2 4.43Å; L842-F863 HydrophobicContact CG-CZ 3.91Å; L842-F863 WeakPolarHBondContact O-CE2 3.42Å; L842-F863 VanDerWaalsContact O-CZ 3.29Å; L842-F863 WeakPolarHBondContact O-CZ 3.32Å; L842-K867 WeakPolarHBondContact O-CE 3.48Å; L842-K867 PolarHBondContact O-NZ 3.07Å
843Q94.3Very high93.6Very high57 Ų5767.3 Ų67.327%0.26634%0.343SS..  trans-127.5166.5179-50.2-58.1-30.500110.9N841 R845 D846N841-Q843 PolarHBondContact O-NE2 3.23Å; Q843-R845 VanDerWaalsContact C-N 3.31Å; Q843-R845 HydrophobicContact CB-CG 4.02Å; Q843-R845 PolarHBondContact O-N 2.74Å; Q843-D846 WeakPolarHBondContact CA-OD2 3.18Å; Q843-D846 WeakPolarHBondContact CB-OD2 3.46Å; Q843-D846 PolarHBondContact N-OD2 2.81Å; Q843-D846 WeakPolarHBondContact O-CB 3.43Å; Q843-D846 PolarHBondContact O-N 2.89Å; Q843-D846 VanDerWaalsContact O-N 3.09Å
844L94.6Very high93.8Very high1 Ų166.5 Ų66.51%0.00534%0.339CS..G310 helixtrans-61.6-38.8178.9-68.2173.3000112.2D846 L847 M851 F863 I864 K867 L868 A871 E875 V879L844-D846 PolarHBondContact O-N 2.89Å; L844-L847 WeakPolarHBondContact O-CB 3.24Å; L844-L847 PolarHBondContact O-N 3.34Å; L844-M851 WeakPolarHBondContact O-CE 3.26Å; L844-F863 HydrophobicContact CD2-CE1 4.37Å; L844-I864 HydrophobicContact CD2-CG1 4.23Å; L844-K867 HydrophobicContact CD1-CB 3.73Å; L844-K867 HydrophobicContact CD2-CB 3.8Å; L844-K867 HydrophobicContact CD2-CG 4.31Å; L844-K867 HydrophobicContact CG-CB 3.63Å; L844-K867 HydrophobicContact CG-CG 4.21Å; L844-L868 HydrophobicContact CD1-CD2 4.39Å; L844-A871 HydrophobicContact CD1-CB 3.71Å; L844-E875 HydrophobicContact CD1-CB 4.25Å; L844-V879 HydrophobicContact CB-CG2 4.23Å; L844-V879 HydrophobicContact CD1-CG2 3.97Å; L844-V879 HydrophobicContact CD2-CG2 3.88Å; L844-V879 HydrophobicContact CG-CG2 4.24Å
845R93.7Very high93.9Very high161 Ų16164.8 Ų64.861%0.60833%0.331SS*.G310 helixtrans-61.8-11174.968.7-179.1178.3-148.6-3.7115.4Q843 P848 M878Q843-R845 VanDerWaalsContact C-N 3.31Å; Q843-R845 HydrophobicContact CB-CG 4.02Å; Q843-R845 PolarHBondContact O-N 2.74Å; R845-P848 WeakPolarHBondContact O-CD 3.39Å; R845-M878 HydrophobicContact CB-CE 3.96Å; R845-M878 HydrophobicContact CB-SD 4.47Å
846D94.3Very high94.1Very high71 Ų7163.7 Ų63.738%0.3833%0.33SS..G310 helixtrans-96.6-5.1177.4-45.6-35.3000111.9L842 Q843 L844L842-D846 HydrophobicContact CD1-CB 3.54Å; L842-D846 HydrophobicContact CG-CB 4.35Å; Q843-D846 WeakPolarHBondContact CA-OD2 3.18Å; Q843-D846 WeakPolarHBondContact CB-OD2 3.46Å; Q843-D846 PolarHBondContact N-OD2 2.81Å; Q843-D846 WeakPolarHBondContact O-CB 3.43Å; Q843-D846 PolarHBondContact O-N 2.89Å; Q843-D846 VanDerWaalsContact O-N 3.09Å; L844-D846 PolarHBondContact O-N 2.89Å
847L94.8Very high94.3Very high0 Ų059.1 Ų59.10%031%0.306CS..  trans-99.24.4178-61.7-171.3000118.2L830 L842 L844 G849 H850 M851 F854 F863 I864L830-L847 HydrophobicContact CD2-CD2 3.97Å; L830-L847 HydrophobicContact CG-CD2 4.48Å; L842-L847 HydrophobicContact CD2-CD2 3.82Å; L842-L847 HydrophobicContact CG-CD2 4.36Å; L844-L847 WeakPolarHBondContact O-CB 3.24Å; L844-L847 PolarHBondContact O-N 3.34Å; L847-G849 PolarHBondContact O-N 2.91Å; L847-H850 WeakPolarHBondContact O-CA 3.26Å; L847-H850 WeakPolarHBondContact O-CB 3.47Å; L847-H850 PolarHBondContact O-N 3.14Å; L847-M851 HydrophobicContact CB-CE 3.76Å; L847-M851 HydrophobicContact CB-SD 3.65Å; L847-M851 HydrophobicContact CD1-SD 4.24Å; L847-F854 HydrophobicContact CD1-CB 4.38Å; L847-F854 HydrophobicContact CD1-CD1 3.7Å; L847-F854 HydrophobicContact CD1-CE1 4.13Å; L847-F854 HydrophobicContact CD1-CG 4.01Å; L847-F854 HydrophobicContact CD2-CD1 3.85Å; L847-F854 HydrophobicContact CD2-CD2 4.1Å; L847-F854 HydrophobicContact CD2-CE1 3.49Å; L847-F854 VanDerWaalsContact CD2-CE1 3.49Å; L847-F854 HydrophobicContact CD2-CE2 3.74Å; L847-F854 HydrophobicContact CD2-CG 4.16Å; L847-F854 HydrophobicContact CD2-CZ 3.42Å; L847-F854 VanDerWaalsContact CD2-CZ 3.42Å; L847-F854 HydrophobicContact CG-CD1 4.46Å; L847-F854 HydrophobicContact CG-CE1 4.48Å; L847-F863 HydrophobicContact CD1-CD1 3.97Å; L847-F863 HydrophobicContact CD1-CE1 3.64Å; L847-F863 HydrophobicContact CG-CE1 4.32Å; L847-I864 HydrophobicContact CD1-CD1 4.35Å; L847-I864 HydrophobicContact CD1-CG1 4.12Å
848P94.4Very high94.6Very high69 Ų6958.8 Ų58.845%0.44830%0.3SS..THydrogen-bonded Turntrans-51133.5178.5-31.236.2000114.5R845 H850 M878 E882R845-P848 WeakPolarHBondContact O-CD 3.39Å; P848-H850 PolarHBondContact O-N 2.98Å; P848-M878 HydrophobicContact CG-SD 3.98Å; P848-E882 VanDerWaalsContact CA-OE1 3.26Å; P848-E882 WeakPolarHBondContact CA-OE1 3.43Å
849G94Very high94.8Very high65 Ų6555.2 Ų55.267%0.6729%0.29SS*.THydrogen-bonded Turntrans81.2-7.4-173.300000114.8L847 E882L847-G849 PolarHBondContact O-N 2.91Å; G849-E882 WeakPolarHBondContact CA-OE2 3.46Å; G849-E882 VanDerWaalsContact N-CD 3.25Å; G849-E882 PolarHBondContact N-OE1 2.98Å; G849-E882 PolarHBondContact N-OE2 3.13Å; G849-E882 VanDerWaalsContact N-OE2 3.1Å
850H96.3Very high95.2Very high56 Ų5651 Ų5126%0.25927%0.272SS..  trans-119.33.7-177.8-68-79.3000113.5S828 L830 L847 P848 V852 E853 F854 E882S828-H850 WeakPolarHBondContact CB-CE1 3.25Å; S828-H850 PolarHBondContact OG-CE1 3.45Å; S828-H850 PolarHBondContact OG-ND1 3.43Å; L830-H850 HydrophobicContact CD2-CB 4.29Å; L847-H850 WeakPolarHBondContact O-CA 3.26Å; L847-H850 WeakPolarHBondContact O-CB 3.47Å; L847-H850 PolarHBondContact O-N 3.14Å; P848-H850 PolarHBondContact O-N 2.98Å; H850-V852 PolarHBondContact O-N 2.87Å; H850-E853 IonicContact CE1-OE2 3.74Å; H850-E853 IonicContact CG-OE2 3.8Å; H850-E853 IonicContact ND1-OE2 2.69Å; H850-E853 PolarHBondContact ND1-OE2 3Å; H850-E853 PolarHBondContact O-N 3.33Å; H850-F854 HydrophobicContact CB-CD2 3.94Å; H850-F854 HydrophobicContact CB-CE2 4.13Å; H850-F854 WeakPolarHBondContact O-CD2 3.41Å; H850-F854 PolarHBondContact O-N 3.26Å; H850-E882 PolarHBondContact N-OE2 3.26Å
851M96.5Very high95.9Very high0 Ų046.7 Ų46.70%024%0.244CC..Hα-helixtrans-62.1-41.2-173.4-63-68.1-172.400112.9L844 L847 S855 M878 V879 E882 I883L844-M851 WeakPolarHBondContact O-CE 3.26Å; L847-M851 HydrophobicContact CB-CE 3.76Å; L847-M851 HydrophobicContact CB-SD 3.65Å; L847-M851 HydrophobicContact CD1-SD 4.24Å; M851-S855 VanDerWaalsContact O-CB 3.28Å; M851-S855 WeakPolarHBondContact O-CB 3.44Å; M851-S855 PolarHBondContact O-N 3.25Å; M851-S855 PolarHBondContact O-OG 3.38Å; M851-M878 HydrophobicContact CE-CG 4.27Å; M851-M878 HydrophobicContact CE-SD 3.95Å; M851-V879 HydrophobicContact CE-CB 4.4Å; M851-V879 HydrophobicContact CE-CG2 3.63Å; M851-V879 HydrophobicContact SD-CB 4.26Å; M851-V879 HydrophobicContact SD-CG1 4.19Å; M851-V879 HydrophobicContact SD-CG2 3.74Å; M851-E882 HydrophobicContact CB-CB 3.87Å; M851-E882 HydrophobicContact CB-CG 4.48Å; M851-E882 VanDerWaalsContact CB-OE2 3.24Å; M851-E882 WeakPolarHBondContact CB-OE2 3.43Å; M851-E882 HydrophobicContact CG-CB 4.13Å; M851-E882 VanDerWaalsContact CG-CD 3.45Å; M851-E882 HydrophobicContact CG-CG 4.3Å; M851-E882 WeakPolarHBondContact CG-OE2 3.44Å; M851-E882 PolarHBondContact N-OE2 2.67Å; M851-E882 VanDerWaalsContact N-OE2 3.13Å; M851-I883 HydrophobicContact CB-CG2 4.15Å
852V97.3Very high96.2Very high35 Ų3546.5 Ų46.521%0.21223%0.233CC..Hα-helixtrans-68.4-41.9178.2-178.50000110.9H850 S855 Q856 I883 A886 L890H850-V852 PolarHBondContact O-N 2.87Å; V852-S855 PolarHBondContact O-N 2.88Å; V852-Q856 WeakPolarHBondContact O-CG 3.26Å; V852-Q856 PolarHBondContact O-N 2.76Å; V852-Q856 VanDerWaalsContact O-N 3.13Å; V852-I883 HydrophobicContact CG2-CG2 4.41Å; V852-A886 HydrophobicContact CB-CB 4.44Å; V852-A886 HydrophobicContact CG1-CB 3.68Å; V852-A886 HydrophobicContact CG2-CB 3.8Å; V852-L890 HydrophobicContact CG1-CD2 4.32Å
853E97.3Very high96.4Very high47 Ų4747 Ų4722%0.2224%0.235CC..Hα-helixtrans-62.8-50178-169.6-155.716600111.3R827 S828 L831 H850 S855 Q856 D857R827-E853 WeakPolarHBondContact CA-OE1 3.44Å; S828-E853 WeakPolarHBondContact CB-OE1 3.3Å; S828-E853 WeakPolarHBondContact CB-OE2 3.31Å; S828-E853 PolarHBondContact N-OE1 3.43Å; S828-E853 VanDerWaalsContact OG-CD 3.25Å; S828-E853 PolarHBondContact OG-OE1 2.93Å; S828-E853 VanDerWaalsContact OG-OE1 3.04Å; S828-E853 PolarHBondContact OG-OE2 3.4Å; L831-E853 WeakPolarHBondContact CB-OE1 3.28Å; L831-E853 HydrophobicContact CD2-CG 4.03Å; L831-E853 VanDerWaalsContact CD2-OE1 3.31Å; L831-E853 WeakPolarHBondContact CD2-OE1 3.45Å; H850-E853 IonicContact CE1-OE2 3.74Å; H850-E853 IonicContact CG-OE2 3.8Å; H850-E853 IonicContact ND1-OE2 2.69Å; H850-E853 PolarHBondContact ND1-OE2 3Å; H850-E853 PolarHBondContact O-N 3.33Å; E853-S855 VanDerWaalsContact C-N 3.29Å; E853-S855 PolarHBondContact O-N 3.49Å; E853-Q856 PolarHBondContact O-N 2.97Å; E853-Q856 VanDerWaalsContact O-N 3.11Å; E853-D857 PolarHBondContact O-N 3.04Å
854F98Very high96.5Very high0 Ų044.3 Ų44.30%022%0.222CC..Hα-helixtrans-61.3-39.5175.6-89.5-118000111.1L830 L831 F834 L842 L847 H850 Q856 D857 G860 S861 I864L830-F854 HydrophobicContact CD2-CE2 4.35Å; L830-F854 HydrophobicContact CG-CE2 4.13Å; L830-F854 HydrophobicContact CG-CZ 4.08Å; L831-F854 HydrophobicContact CB-CD2 4.13Å; L831-F854 HydrophobicContact CB-CE2 3.58Å; L831-F854 HydrophobicContact CB-CZ 4.04Å; L831-F854 HydrophobicContact CD1-CD1 4.08Å; L831-F854 HydrophobicContact CD1-CD2 3.97Å; L831-F854 HydrophobicContact CD1-CE1 3.98Å; L831-F854 HydrophobicContact CD1-CE2 3.89Å; L831-F854 HydrophobicContact CD1-CG 4.07Å; L831-F854 HydrophobicContact CD1-CZ 3.89Å; L831-F854 HydrophobicContact CG-CD2 4.49Å; L831-F854 HydrophobicContact CG-CE2 4.29Å; F834-F854 HydrophobicContact CB-CE1 4.13Å; F834-F854 HydrophobicContact CB-CZ 4.03Å; F834-F854 HydrophobicContact CD1-CD1 4.38Å; F834-F854 AromaticContact CD1-CE1 3.58Å; F834-F854 HydrophobicContact CD1-CE1 3.58Å; F834-F854 HydrophobicContact CD1-CZ 4.26Å; F834-F854 HydrophobicContact CE1-CE1 4.19Å; F834-F854 AromaticContact CG-CE1 3.86Å; F834-F854 HydrophobicContact CG-CE1 3.86Å; F834-F854 HydrophobicContact CG-CZ 4.28Å; L842-F854 HydrophobicContact CD2-CE1 4.11Å; L842-F854 HydrophobicContact CD2-CZ 4.39Å; L847-F854 HydrophobicContact CD1-CB 4.38Å; L847-F854 HydrophobicContact CD1-CD1 3.7Å; L847-F854 HydrophobicContact CD1-CE1 4.13Å; L847-F854 HydrophobicContact CD1-CG 4.01Å; L847-F854 HydrophobicContact CD2-CD1 3.85Å; L847-F854 HydrophobicContact CD2-CD2 4.1Å; L847-F854 HydrophobicContact CD2-CE1 3.49Å; L847-F854 VanDerWaalsContact CD2-CE1 3.49Å; L847-F854 HydrophobicContact CD2-CE2 3.74Å; L847-F854 HydrophobicContact CD2-CG 4.16Å; L847-F854 HydrophobicContact CD2-CZ 3.42Å; L847-F854 VanDerWaalsContact CD2-CZ 3.42Å; L847-F854 HydrophobicContact CG-CD1 4.46Å; L847-F854 HydrophobicContact CG-CE1 4.48Å; H850-F854 HydrophobicContact CB-CD2 3.94Å; H850-F854 HydrophobicContact CB-CE2 4.13Å; H850-F854 WeakPolarHBondContact O-CD2 3.41Å; H850-F854 PolarHBondContact O-N 3.26Å; F854-Q856 PolarHBondContact O-N 3.08Å; F854-D857 PolarHBondContact O-N 3.2Å; F854-G860 CarbonylContact O-C 3.36Å; F854-G860 VanDerWaalsContact O-CA 3.28Å; F854-G860 WeakPolarHBondContact O-CA 3.37Å; F854-S861 PolarHBondContact O-N 3.31Å; F854-I864 HydrophobicContact CB-CD1 3.63Å; F854-I864 HydrophobicContact CB-CG1 4.49Å
855S98.3Very high96.7Very high0 Ų044.9 Ų44.90%023%0.225CC..Hα-helixtrans-62.7-25176.7-60.90000113.4M851 V852 E853 S861 F895 G896M851-S855 VanDerWaalsContact O-CB 3.28Å; M851-S855 WeakPolarHBondContact O-CB 3.44Å; M851-S855 PolarHBondContact O-N 3.25Å; M851-S855 PolarHBondContact O-OG 3.38Å; V852-S855 PolarHBondContact O-N 2.88Å; E853-S855 VanDerWaalsContact C-N 3.29Å; E853-S855 PolarHBondContact O-N 3.49Å; S855-S861 WeakPolarHBondContact O-CB 3.47Å; S855-F895 CarbonylContact O-C 3.59Å; S855-F895 VanDerWaalsContact O-C 3.24Å; S855-G896 WeakPolarHBondContact O-CA 3.41Å; S855-G896 PolarHBondContact O-N 3.09Å
856Q97.8Very high96.8Very high65 Ų6543.4 Ų43.430%0.30423%0.225SC..THydrogen-bonded Turntrans-93.44.3176-67.2174.35.800113.3V852 E853 F854 Q889 L890 F895V852-Q856 WeakPolarHBondContact O-CG 3.26Å; V852-Q856 PolarHBondContact O-N 2.76Å; V852-Q856 VanDerWaalsContact O-N 3.13Å; E853-Q856 PolarHBondContact O-N 2.97Å; E853-Q856 VanDerWaalsContact O-N 3.11Å; F854-Q856 PolarHBondContact O-N 3.08Å; Q856-Q889 VanDerWaalsContact NE2-CD 3.34Å; Q856-Q889 VanDerWaalsContact NE2-NE2 3.11Å; Q856-L890 HydrophobicContact CG-CD2 3.62Å; Q856-F895 WeakPolarHBondContact O-CD2 3.46Å
857D97.6Very high96.8Very high5 Ų542.6 Ų42.63%0.02722%0.218CC..SBendtrans-108.6142.1172.7-169.9-85000111.6R827 L831 R835 E853 F854 H859 G860 S861R827-D857 IonicContact CZ-OD2 3.18Å; R827-D857 IonicContact NE-OD2 2.9Å; R827-D857 PolarHBondContact NE-OD2 3.17Å; R827-D857 IonicContact NH2-OD2 3.63Å; L831-D857 HydrophobicContact CD1-CB 3.91Å; L831-D857 HydrophobicContact CD2-CB 3.68Å; L831-D857 HydrophobicContact CG-CB 4.38Å; R835-D857 IonicContact CZ-OD2 3.64Å; R835-D857 IonicContact NE-OD2 3.71Å; R835-D857 VanDerWaalsContact NH1-CG 3.34Å; R835-D857 IonicContact NH1-OD1 2.77Å; R835-D857 PolarHBondContact NH1-OD1 3.29Å; R835-D857 VanDerWaalsContact NH1-OD1 3.14Å; R835-D857 IonicContact NH1-OD2 2.74Å; R835-D857 PolarHBondContact NH1-OD2 3.04Å; E853-D857 PolarHBondContact O-N 3.04Å; F854-D857 PolarHBondContact O-N 3.2Å; D857-H859 VanDerWaalsContact C-N 3.29Å; D857-H859 PolarHBondContact O-N 3.15Å; D857-H859 IonicContact OD1-CD2 2.69Å; D857-H859 PolarHBondContact OD1-N 3.31Å; D857-G860 PolarHBondContact O-N 3.31Å; D857-G860 PolarHBondContact OD1-N 3.08Å; D857-S861 WeakPolarHBondContact O-CB 3.43Å; D857-S861 PolarHBondContact O-N 3Å
858Q97.6Very high96.9Very high113 Ų11342.8 Ų42.853%0.52822%0.219SC..Hα-helixtrans-57-39.4-179.2-170.1178.319.400113.2R862 F895Q858-R862 WeakPolarHBondContact O-CG 3.45Å; Q858-F895 HydrophobicContact CB-CD1 4.19Å; Q858-F895 HydrophobicContact CB-CD2 4.33Å; Q858-F895 HydrophobicContact CB-CE1 3.8Å; Q858-F895 HydrophobicContact CB-CE2 3.95Å; Q858-F895 HydrophobicContact CB-CG 4.45Å; Q858-F895 HydrophobicContact CB-CZ 3.67Å; Q858-F895 HydrophobicContact CG-CD1 4.26Å; Q858-F895 HydrophobicContact CG-CE1 3.72Å; Q858-F895 HydrophobicContact CG-CZ 3.99Å
859H96.4Very high96.8Very high91 Ų9143.4 Ų43.442%0.42122%0.216SC..Hα-helixtrans-86.5-40.5179.5-56.2-82000111.1F834 R835 D857 S861 R862 F863F834-H859 HydrophobicContact CE1-CB 4.08Å; R835-H859 HydrophobicContact CG-CB 4.38Å; R835-H859 PolarHBondContact NH1-CD2 2.85Å; D857-H859 VanDerWaalsContact C-N 3.29Å; D857-H859 PolarHBondContact O-N 3.15Å; D857-H859 IonicContact OD1-CD2 2.69Å; D857-H859 PolarHBondContact OD1-N 3.31Å; H859-S861 PolarHBondContact O-N 3.18Å; H859-R862 PolarHBondContact O-N 2.81Å; H859-F863 WeakPolarHBondContact O-CB 3.39Å; H859-F863 PolarHBondContact O-N 3.47Å
860G97.4Very high96.7Very high0 Ų050.4 Ų50.40%022%0.222CC..Hα-helixtrans-60.9-43.7178.300000112.6F854 D857 F863 I864F854-G860 CarbonylContact O-C 3.36Å; F854-G860 VanDerWaalsContact O-CA 3.28Å; F854-G860 WeakPolarHBondContact O-CA 3.37Å; D857-G860 PolarHBondContact O-N 3.31Å; D857-G860 PolarHBondContact OD1-N 3.08Å; G860-F863 WeakPolarHBondContact O-CB 3.34Å; G860-F863 PolarHBondContact O-N 3.18Å; G860-I864 WeakPolarHBondContact O-CG1 3.42Å; G860-I864 PolarHBondContact O-N 3.3Å
861S98.1Very high96.6Very high1 Ų148.1 Ų48.11%0.00721%0.213CC..Hα-helixtrans-66.4-43.1178.9179.20000111.1F854 S855 D857 H859 F863 I864 Q865 F895 V899F854-S861 PolarHBondContact O-N 3.31Å; S855-S861 WeakPolarHBondContact O-CB 3.47Å; D857-S861 WeakPolarHBondContact O-CB 3.43Å; D857-S861 PolarHBondContact O-N 3Å; H859-S861 PolarHBondContact O-N 3.18Å; S861-F863 VanDerWaalsContact C-N 3.33Å; S861-F863 PolarHBondContact O-N 2.99Å; S861-I864 PolarHBondContact O-N 3.37Å; S861-Q865 VanDerWaalsContact C-NE2 3.34Å; S861-Q865 WeakPolarHBondContact O-CB 3.36Å; S861-Q865 WeakPolarHBondContact O-CG 3.48Å; S861-Q865 PolarHBondContact O-N 3.03Å; S861-Q865 PolarHBondContact O-NE2 3.04Å; S861-Q865 PolarHBondContact OG-NE2 3.31Å; S861-F895 PolarHBondContact OG-O 3.1Å; S861-V899 WeakPolarHBondContact OG-CG2 3.43Å
862R97.5Very high96.6Very high130 Ų13051.5 Ų51.549%0.49123%0.234SC..Hα-helixtrans-62.2-39.3175.1-75.4-63.4-168.4-1544.1112.4Q858 H859 Q866Q858-R862 WeakPolarHBondContact O-CG 3.45Å; H859-R862 PolarHBondContact O-N 2.81Å; R862-Q866 WeakPolarHBondContact O-CB 3.44Å; R862-Q866 VanDerWaalsContact O-CG 3.28Å; R862-Q866 WeakPolarHBondContact O-CG 3.5Å; R862-Q866 PolarHBondContact O-N 3.4Å; R862-Q866 VanDerWaalsContact O-N 3.07Å
863F97.3Very high96.5Very high20 Ų2054.8 Ų54.89%0.08826%0.256CS..Hα-helixtrans-62-48.9172.8171.6-88.3000111.8F834 L842 L844 L847 H859 G860 S861 Q865 Q866 K867F834-F863 HydrophobicContact CE1-CB 4.18Å; F834-F863 AromaticContact CE2-CD2 3.79Å; F834-F863 HydrophobicContact CE2-CD2 3.79Å; F834-F863 HydrophobicContact CE2-CE2 4.2Å; F834-F863 HydrophobicContact CE2-CG 4.29Å; F834-F863 HydrophobicContact CZ-CB 3.73Å; F834-F863 AromaticContact CZ-CD2 3.74Å; F834-F863 HydrophobicContact CZ-CD2 3.74Å; F834-F863 AromaticContact CZ-CG 3.88Å; F834-F863 HydrophobicContact CZ-CG 3.88Å; L842-F863 HydrophobicContact CB-CE2 3.94Å; L842-F863 HydrophobicContact CB-CZ 3.84Å; L842-F863 HydrophobicContact CD2-CE1 4.48Å; L842-F863 HydrophobicContact CD2-CZ 4.14Å; L842-F863 HydrophobicContact CG-CE2 4.43Å; L842-F863 HydrophobicContact CG-CZ 3.91Å; L842-F863 WeakPolarHBondContact O-CE2 3.42Å; L842-F863 VanDerWaalsContact O-CZ 3.29Å; L842-F863 WeakPolarHBondContact O-CZ 3.32Å; L844-F863 HydrophobicContact CD2-CE1 4.37Å; L847-F863 HydrophobicContact CD1-CD1 3.97Å; L847-F863 HydrophobicContact CD1-CE1 3.64Å; L847-F863 HydrophobicContact CG-CE1 4.32Å; H859-F863 WeakPolarHBondContact O-CB 3.39Å; H859-F863 PolarHBondContact O-N 3.47Å; G860-F863 WeakPolarHBondContact O-CB 3.34Å; G860-F863 PolarHBondContact O-N 3.18Å; S861-F863 VanDerWaalsContact C-N 3.33Å; S861-F863 PolarHBondContact O-N 2.99Å; F863-Q865 PolarHBondContact O-N 3.1Å; F863-Q866 PolarHBondContact O-N 3.09Å; F863-K867 HydrophobicContact CD1-CG 4.28Å; F863-K867 HydrophobicContact CD2-CG 4.44Å; F863-K867 HydrophobicContact CE1-CG 4Å; F863-K867 HydrophobicContact CE2-CD 4.42Å; F863-K867 HydrophobicContact CE2-CG 4.2Å; F863-K867 HydrophobicContact CG-CG 4.49Å; F863-K867 HydrophobicContact CZ-CD 4.32Å; F863-K867 VanDerWaalsContact CZ-CE 3.42Å; F863-K867 HydrophobicContact CZ-CG 3.97Å; F863-K867 WeakPolarHBondContact O-CB 3.43Å; F863-K867 VanDerWaalsContact O-CG 3.26Å; F863-K867 WeakPolarHBondContact O-CG 3.26Å; F863-K867 PolarHBondContact O-N 2.77Å
864I97.6Very high96.4Very high0 Ų056 Ų560%027%0.274CS..Hα-helixtrans-59.9-47.3178-70.6173.4000110.7L844 L847 F854 G860 S861 Q866 K867 L868 V879 V899L844-I864 HydrophobicContact CD2-CG1 4.23Å; L847-I864 HydrophobicContact CD1-CD1 4.35Å; L847-I864 HydrophobicContact CD1-CG1 4.12Å; F854-I864 HydrophobicContact CB-CD1 3.63Å; F854-I864 HydrophobicContact CB-CG1 4.49Å; G860-I864 WeakPolarHBondContact O-CG1 3.42Å; G860-I864 PolarHBondContact O-N 3.3Å; S861-I864 PolarHBondContact O-N 3.37Å; I864-Q866 PolarHBondContact O-N 3.06Å; I864-K867 PolarHBondContact O-N 3.23Å; I864-L868 HydrophobicContact CG2-CD1 3.64Å; I864-L868 HydrophobicContact CG2-CG 4.04Å; I864-L868 WeakPolarHBondContact O-CB 3.42Å; I864-L868 VanDerWaalsContact O-CG 3.28Å; I864-L868 WeakPolarHBondContact O-CG 3.32Å; I864-L868 PolarHBondContact O-N 2.81Å; I864-V879 HydrophobicContact CG2-CG1 4.3Å; I864-V899 HydrophobicContact CB-CG2 4.38Å; I864-V899 HydrophobicContact CG2-CG1 3.77Å; I864-V899 HydrophobicContact CG2-CG2 4.02Å
865Q97.8Very high96.3Very high13 Ų1358 Ų586%0.06128%0.283CS..Hα-helixtrans-53.7-52.2176.4-69.7161.347.100112S861 F863 K867 L868 Y898 V899 K902S861-Q865 VanDerWaalsContact C-NE2 3.34Å; S861-Q865 WeakPolarHBondContact O-CB 3.36Å; S861-Q865 WeakPolarHBondContact O-CG 3.48Å; S861-Q865 PolarHBondContact O-N 3.03Å; S861-Q865 PolarHBondContact O-NE2 3.04Å; S861-Q865 PolarHBondContact OG-NE2 3.31Å; F863-Q865 PolarHBondContact O-N 3.1Å; Q865-K867 VanDerWaalsContact C-N 3.32Å; Q865-K867 PolarHBondContact O-N 2.9Å; Q865-L868 PolarHBondContact O-N 2.84Å; Q865-Y898 VanDerWaalsContact NE2-CB 3.31Å; Q865-V899 HydrophobicContact CG-CG2 4.48Å; Q865-K902 HydrophobicContact CB-CG 4.32Å; Q865-K902 HydrophobicContact CG-CG 4.15Å
866Q96Very high96.2Very high131 Ų13160.4 Ų60.461%0.61229%0.292SS*.Hα-helixtrans-65-33.2-179.1-72.8172.9-7.800113.1R862 F863 I864R862-Q866 WeakPolarHBondContact O-CB 3.44Å; R862-Q866 VanDerWaalsContact O-CG 3.28Å; R862-Q866 WeakPolarHBondContact O-CG 3.5Å; R862-Q866 PolarHBondContact O-N 3.4Å; R862-Q866 VanDerWaalsContact O-N 3.07Å; F863-Q866 PolarHBondContact O-N 3.09Å; I864-Q866 PolarHBondContact O-N 3.06Å
867K95.3Very high96.1Very high54 Ų5462.2 Ų62.224%0.23530%0.301CS..Hα-helixtrans-75.3-43.5176.9-68.1-72.2-170.61730111.8L842 L844 F863 I864 Q865 E869 R870 A871L842-K867 WeakPolarHBondContact O-CE 3.48Å; L842-K867 PolarHBondContact O-NZ 3.07Å; L844-K867 HydrophobicContact CD1-CB 3.73Å; L844-K867 HydrophobicContact CD2-CB 3.8Å; L844-K867 HydrophobicContact CD2-CG 4.31Å; L844-K867 HydrophobicContact CG-CB 3.63Å; L844-K867 HydrophobicContact CG-CG 4.21Å; F863-K867 HydrophobicContact CD1-CG 4.28Å; F863-K867 HydrophobicContact CD2-CG 4.44Å; F863-K867 HydrophobicContact CE1-CG 4Å; F863-K867 HydrophobicContact CE2-CD 4.42Å; F863-K867 HydrophobicContact CE2-CG 4.2Å; F863-K867 HydrophobicContact CG-CG 4.49Å; F863-K867 HydrophobicContact CZ-CD 4.32Å; F863-K867 VanDerWaalsContact CZ-CE 3.42Å; F863-K867 HydrophobicContact CZ-CG 3.97Å; F863-K867 WeakPolarHBondContact O-CB 3.43Å; F863-K867 VanDerWaalsContact O-CG 3.26Å; F863-K867 WeakPolarHBondContact O-CG 3.26Å; F863-K867 PolarHBondContact O-N 2.77Å; I864-K867 PolarHBondContact O-N 3.23Å; Q865-K867 VanDerWaalsContact C-N 3.32Å; Q865-K867 PolarHBondContact O-N 2.9Å; K867-E869 PolarHBondContact O-N 3.19Å; K867-R870 CarbonylContact O-C 3.59Å; K867-R870 PolarHBondContact O-N 3.29Å; K867-A871 WeakPolarHBondContact O-CB 3.29Å; K867-A871 PolarHBondContact O-N 3.39Å
868L95.8Very high96Very high3 Ų365.2 Ų65.22%0.01632%0.316CS..Hα-helixtrans-56.1-35.9-176.1-77.9171.8000113.1L844 I864 Q865 R870 A871 R876 V879 V899 K902 F903L844-L868 HydrophobicContact CD1-CD2 4.39Å; I864-L868 HydrophobicContact CG2-CD1 3.64Å; I864-L868 HydrophobicContact CG2-CG 4.04Å; I864-L868 WeakPolarHBondContact O-CB 3.42Å; I864-L868 VanDerWaalsContact O-CG 3.28Å; I864-L868 WeakPolarHBondContact O-CG 3.32Å; I864-L868 PolarHBondContact O-N 2.81Å; Q865-L868 PolarHBondContact O-N 2.84Å; L868-R870 VanDerWaalsContact C-N 3.26Å; L868-R870 PolarHBondContact O-N 3.35Å; L868-A871 PolarHBondContact O-N 3.21Å; L868-R876 HydrophobicContact CD2-CG 4.03Å; L868-R876 PolarHBondContact O-NE 3.44Å; L868-R876 PolarHBondContact O-NH2 3.37Å; L868-V879 HydrophobicContact CD2-CB 4.34Å; L868-V879 HydrophobicContact CD2-CG1 4.35Å; L868-V879 HydrophobicContact CD2-CG2 4.3Å; L868-V899 HydrophobicContact CD1-CG1 4.2Å; L868-K902 HydrophobicContact CD1-CB 4.18Å; L868-F903 HydrophobicContact CD1-CD2 4.03Å; L868-F903 HydrophobicContact CD1-CE2 3.56Å; L868-F903 HydrophobicContact CD1-CZ 4.21Å; L868-F903 HydrophobicContact CD2-CE1 4.37Å; L868-F903 HydrophobicContact CD2-CE2 3.81Å; L868-F903 HydrophobicContact CD2-CZ 3.57Å; L868-F903 HydrophobicContact CG-CE2 4.37Å
869E93.2Very high95.9Very high82 Ų8259.9 Ų59.938%0.38329%0.291SS..THydrogen-bonded Turntrans-56-38.6176.2-70.2176.7176.100112.6K867 R876 K902 F906K867-E869 PolarHBondContact O-N 3.19Å; E869-R876 PolarHBondContact O-NH2 3.03Å; E869-K902 HydrophobicContact CG-CD 4.48Å; E869-K902 WeakPolarHBondContact OE1-CE 3.42Å; E869-K902 IonicContact OE1-NZ 3.71Å; E869-K902 PolarHBondContact OE1-NZ 3.37Å; E869-F906 HydrophobicContact CG-CD2 4.16Å; E869-F906 HydrophobicContact CG-CE2 3.57Å; E869-F906 HydrophobicContact CG-CZ 4.04Å
870R92.4Very high96Very high212 Ų21256 Ų5680%0.827%0.272SS*.THydrogen-bonded Turntrans-108.8-2.2-177.9-56.7-175.8-172.1-177.22.4114.1K867 L868K867-R870 CarbonylContact O-C 3.59Å; K867-R870 PolarHBondContact O-N 3.29Å; L868-R870 VanDerWaalsContact C-N 3.26Å; L868-R870 PolarHBondContact O-N 3.35Å
871A94.1Very high95.9Very high9 Ų958.1 Ų58.17%0.07430%0.295CS..  trans-65.1143.9-179.500000111.9L844 K867 L868 E875 R876L844-A871 HydrophobicContact CD1-CB 3.71Å; K867-A871 WeakPolarHBondContact O-CB 3.29Å; K867-A871 PolarHBondContact O-N 3.39Å; L868-A871 PolarHBondContact O-N 3.21Å; A871-E875 HydrophobicContact CB-CB 4.02Å; A871-R876 HydrophobicContact CB-CG 3.87Å; A871-R876 PolarHBondContact O-NE 3.15Å; A871-R876 PolarHBondContact O-NH2 3.21Å
872T95.8Very high95.8Very high71 Ų7160.6 Ų60.644%0.43631%0.306SS..  trans-64.7157.6169.760.20000111.2A874 E875 R876T872-A874 PolarHBondContact O-N 3.04Å; T872-A874 VanDerWaalsContact O-N 3.17Å; T872-E875 WeakPolarHBondContact CB-OE2 3.48Å; T872-E875 WeakPolarHBondContact CG2-OE2 3.25Å; T872-E875 PolarHBondContact N-OE2 2.93Å; T872-E875 PolarHBondContact O-N 2.87Å; T872-E875 VanDerWaalsContact O-N 3.08Å; T872-E875 WeakPolarHBondContact OG1-CG 3.44Å; T872-E875 PolarHBondContact OG1-N 2.9Å; T872-E875 PolarHBondContact OG1-OE2 3.05Å; T872-R876 PolarHBondContact O-N 3.28Å
873P95.4Very high95.8Very high103 Ų10354.4 Ų54.467%0.66928%0.283SS*.Hα-helixtrans-54.9-33.8175.3-27.736000113.6R876 Q877P873-R876 PolarHBondContact O-N 3.34Å; P873-Q877 WeakPolarHBondContact O-CB 3.31Å; P873-Q877 PolarHBondContact O-N 3.19Å
874A95.1Very high95.8Very high74 Ų7455.4 Ų55.461%0.61229%0.289SS*.Hα-helixtrans-67.3-43.1175.900000112.7T872 Q877 M878T872-A874 PolarHBondContact O-N 3.04Å; T872-A874 VanDerWaalsContact O-N 3.17Å; A874-Q877 PolarHBondContact O-N 3.4Å; A874-M878 PolarHBondContact O-N 3.03Å
875E95.4Very high95.6Very high40 Ų4062.5 Ų62.519%0.18732%0.322CS..Hα-helixtrans-66.6-39.1174-71.8165.6118.900111.8L844 A871 T872 M878 V879L844-E875 HydrophobicContact CD1-CB 4.25Å; A871-E875 HydrophobicContact CB-CB 4.02Å; T872-E875 WeakPolarHBondContact CB-OE2 3.48Å; T872-E875 WeakPolarHBondContact CG2-OE2 3.25Å; T872-E875 PolarHBondContact N-OE2 2.93Å; T872-E875 PolarHBondContact O-N 2.87Å; T872-E875 VanDerWaalsContact O-N 3.08Å; T872-E875 WeakPolarHBondContact OG1-CG 3.44Å; T872-E875 PolarHBondContact OG1-N 2.9Å; T872-E875 PolarHBondContact OG1-OE2 3.05Å; E875-M878 WeakPolarHBondContact O-CB 3.5Å; E875-M878 PolarHBondContact O-N 2.87Å; E875-V879 WeakPolarHBondContact O-CG2 3.21Å; E875-V879 PolarHBondContact O-N 3.4Å; E875-V879 VanDerWaalsContact O-N 3.09Å
876R96Very high95.5Very high51 Ų5162.8 Ų62.819%0.19233%0.327CS..Hα-helixtrans-60.6-45172.6-67.9-174.2-174.8145.610.6111.1L868 E869 A871 T872 P873 M878 V879 F880 F903 F906L868-R876 HydrophobicContact CD2-CG 4.03Å; L868-R876 PolarHBondContact O-NE 3.44Å; L868-R876 PolarHBondContact O-NH2 3.37Å; E869-R876 PolarHBondContact O-NH2 3.03Å; A871-R876 HydrophobicContact CB-CG 3.87Å; A871-R876 PolarHBondContact O-NE 3.15Å; A871-R876 PolarHBondContact O-NH2 3.21Å; T872-R876 PolarHBondContact O-N 3.28Å; P873-R876 PolarHBondContact O-N 3.34Å; R876-M878 PolarHBondContact O-N 3.39Å; R876-V879 PolarHBondContact O-N 2.96Å; R876-F880 VanDerWaalsContact O-CB 3.25Å; R876-F880 WeakPolarHBondContact O-CB 3.36Å; R876-F880 PolarHBondContact O-N 3.39Å; R876-F903 HydrophobicContact CB-CE1 4.22Å; R876-F903 WeakPolarHBondContact O-CE1 3.28Å; R876-F903 WeakPolarHBondContact O-CZ 3.5Å; R876-F906 PolarHBondContact NH1-O 2.87Å
877Q96.4Very high95.6Very high104 Ų10456.5 Ų56.549%0.48630%0.297SS..Hα-helixtrans-65.7-35.8178.7-173.962.512.200112.9P873 A874 F880 G881P873-Q877 WeakPolarHBondContact O-CB 3.31Å; P873-Q877 PolarHBondContact O-N 3.19Å; A874-Q877 PolarHBondContact O-N 3.4Å; Q877-F880 PolarHBondContact O-N 3.46Å; Q877-G881 PolarHBondContact O-N 3.09Å
878M94.9Very high95.7Very high68 Ų6857.7 Ų57.734%0.33530%0.301SS..Hα-helixtrans-59.9-53.7172.4178.4-159.3-59.800111.4R845 P848 M851 A874 E875 R876 F880 G881R845-M878 HydrophobicContact CB-CE 3.96Å; R845-M878 HydrophobicContact CB-SD 4.47Å; P848-M878 HydrophobicContact CG-SD 3.98Å; M851-M878 HydrophobicContact CE-CG 4.27Å; M851-M878 HydrophobicContact CE-SD 3.95Å; A874-M878 PolarHBondContact O-N 3.03Å; E875-M878 WeakPolarHBondContact O-CB 3.5Å; E875-M878 PolarHBondContact O-N 2.87Å; R876-M878 PolarHBondContact O-N 3.39Å; M878-F880 VanDerWaalsContact C-N 3.28Å; M878-F880 PolarHBondContact O-N 2.77Å; M878-G881 PolarHBondContact O-N 3.29Å
879V96.9Very high95.8Very high0 Ų062.5 Ų62.50%032%0.323CS..Hα-helixtrans-58.7-43.5176.4178.20000110.4L844 M851 I864 L868 E875 R876 G881 E882 I883 F903L844-V879 HydrophobicContact CB-CG2 4.23Å; L844-V879 HydrophobicContact CD1-CG2 3.97Å; L844-V879 HydrophobicContact CD2-CG2 3.88Å; L844-V879 HydrophobicContact CG-CG2 4.24Å; M851-V879 HydrophobicContact CE-CB 4.4Å; M851-V879 HydrophobicContact CE-CG2 3.63Å; M851-V879 HydrophobicContact SD-CB 4.26Å; M851-V879 HydrophobicContact SD-CG1 4.19Å; M851-V879 HydrophobicContact SD-CG2 3.74Å; I864-V879 HydrophobicContact CG2-CG1 4.3Å; L868-V879 HydrophobicContact CD2-CB 4.34Å; L868-V879 HydrophobicContact CD2-CG1 4.35Å; L868-V879 HydrophobicContact CD2-CG2 4.3Å; E875-V879 WeakPolarHBondContact O-CG2 3.21Å; E875-V879 PolarHBondContact O-N 3.4Å; E875-V879 VanDerWaalsContact O-N 3.09Å; R876-V879 PolarHBondContact O-N 2.96Å; V879-G881 PolarHBondContact O-N 3.35Å; V879-E882 PolarHBondContact O-N 2.85Å; V879-I883 HydrophobicContact CG1-CD1 4.44Å; V879-I883 HydrophobicContact CG1-CG2 4.42Å; V879-I883 WeakPolarHBondContact O-CG1 3.17Å; V879-I883 PolarHBondContact O-N 3.39Å; V879-F903 HydrophobicContact CB-CE2 4.4Å; V879-F903 HydrophobicContact CB-CZ 3.99Å; V879-F903 HydrophobicContact CG1-CE2 3.79Å; V879-F903 HydrophobicContact CG1-CZ 3.9Å
880F97.7Very high96.1Very high9 Ų958.6 Ų58.64%0.03931%0.305CS..Hα-helixtrans-60.3-44-178.3-166.5-105.8000113R876 Q877 M878 E882 I883 L884 F903 Q911 A914 L915R876-F880 VanDerWaalsContact O-CB 3.25Å; R876-F880 WeakPolarHBondContact O-CB 3.36Å; R876-F880 PolarHBondContact O-N 3.39Å; Q877-F880 PolarHBondContact O-N 3.46Å; M878-F880 VanDerWaalsContact C-N 3.28Å; M878-F880 PolarHBondContact O-N 2.77Å; F880-E882 VanDerWaalsContact C-N 3.28Å; F880-E882 PolarHBondContact O-N 3.41Å; F880-I883 PolarHBondContact O-N 3.09Å; F880-L884 HydrophobicContact CE1-CB 4.34Å; F880-L884 HydrophobicContact CE1-CD1 4.12Å; F880-L884 HydrophobicContact CE1-CD2 3.88Å; F880-L884 HydrophobicContact CE1-CG 4.34Å; F880-L884 HydrophobicContact CZ-CD1 3.86Å; F880-L884 HydrophobicContact CZ-CD2 4.46Å; F880-L884 VanDerWaalsContact O-CB 3.3Å; F880-L884 WeakPolarHBondContact O-CB 3.44Å; F880-L884 PolarHBondContact O-N 3.37Å; F880-F903 HydrophobicContact CB-CE1 3.78Å; F880-F903 HydrophobicContact CB-CZ 4.02Å; F880-F903 AromaticContact CD2-CD1 3.52Å; F880-F903 HydrophobicContact CD2-CD1 3.52Å; F880-F903 AromaticContact CD2-CE1 3.65Å; F880-F903 HydrophobicContact CD2-CE1 3.65Å; F880-F903 AromaticContact CD2-CG 3.98Å; F880-F903 HydrophobicContact CD2-CG 3.98Å; F880-F903 HydrophobicContact CD2-CZ 4.21Å; F880-F903 HydrophobicContact CE2-CD1 4.16Å; F880-F903 HydrophobicContact CE2-CG 4.42Å; F880-F903 HydrophobicContact CG-CD1 4.4Å; F880-F903 HydrophobicContact CG-CE1 4.14Å; F880-Q911 HydrophobicContact CD1-CB 4.44Å; F880-Q911 HydrophobicContact CD1-CG 3.81Å; F880-Q911 HydrophobicContact CD2-CB 4.1Å; F880-Q911 HydrophobicContact CD2-CG 4.04Å; F880-Q911 HydrophobicContact CE1-CB 4.11Å; F880-Q911 HydrophobicContact CE1-CG 3.87Å; F880-Q911 HydrophobicContact CE2-CB 3.74Å; F880-Q911 HydrophobicContact CE2-CG 4.1Å; F880-Q911 HydrophobicContact CG-CB 4.43Å; F880-Q911 HydrophobicContact CG-CG 3.89Å; F880-Q911 HydrophobicContact CZ-CB 3.75Å; F880-Q911 HydrophobicContact CZ-CG 4.02Å; F880-Q911 VanDerWaalsContact CZ-O 3.29Å; F880-Q911 WeakPolarHBondContact CZ-O 3.49Å; F880-A914 HydrophobicContact CE1-CB 4.12Å; F880-A914 HydrophobicContact CZ-CB 3.96Å; F880-L915 HydrophobicContact CE2-CD1 3.93Å; F880-L915 HydrophobicContact CE2-CD2 4.13Å; F880-L915 HydrophobicContact CE2-CG 3.74Å; F880-L915 HydrophobicContact CZ-CD2 4.49Å; F880-L915 HydrophobicContact CZ-CG 4.05Å
881G95.8Very high96.4Very high46 Ų4648.5 Ų48.547%0.47427%0.267SS..Hα-helixtrans-59.2-35.6-177.800000113.7Q877 M878 V879Q877-G881 PolarHBondContact O-N 3.09Å; M878-G881 PolarHBondContact O-N 3.29Å; V879-G881 PolarHBondContact O-N 3.35Å
882E95.8Very high96.6Very high52 Ų5249.8 Ų49.824%0.24327%0.274CS..Hα-helixtrans-77.5-48.3174.7-72.8-178.3-142.500112.4P848 G849 H850 M851 V879 F880 L884P848-E882 VanDerWaalsContact CA-OE1 3.26Å; P848-E882 WeakPolarHBondContact CA-OE1 3.43Å; G849-E882 WeakPolarHBondContact CA-OE2 3.46Å; G849-E882 VanDerWaalsContact N-CD 3.25Å; G849-E882 PolarHBondContact N-OE1 2.98Å; G849-E882 PolarHBondContact N-OE2 3.13Å; G849-E882 VanDerWaalsContact N-OE2 3.1Å; H850-E882 PolarHBondContact N-OE2 3.26Å; M851-E882 HydrophobicContact CB-CB 3.87Å; M851-E882 HydrophobicContact CB-CG 4.48Å; M851-E882 VanDerWaalsContact CB-OE2 3.24Å; M851-E882 WeakPolarHBondContact CB-OE2 3.43Å; M851-E882 HydrophobicContact CG-CB 4.13Å; M851-E882 VanDerWaalsContact CG-CD 3.45Å; M851-E882 HydrophobicContact CG-CG 4.3Å; M851-E882 WeakPolarHBondContact CG-OE2 3.44Å; M851-E882 PolarHBondContact N-OE2 2.67Å; M851-E882 VanDerWaalsContact N-OE2 3.13Å; V879-E882 PolarHBondContact O-N 2.85Å; F880-E882 VanDerWaalsContact C-N 3.28Å; F880-E882 PolarHBondContact O-N 3.41Å; E882-L884 VanDerWaalsContact C-N 3.34Å; E882-L884 PolarHBondContact O-N 2.95Å
883I96.9Very high96.7Very high0 Ų048.1 Ų48.10%026%0.262CS..Hα-helixtrans-73-22.8-173.670.2174.6000113.6M851 V852 V879 F880 Q885 A886 A887 L890 V899 I900 F903M851-I883 HydrophobicContact CB-CG2 4.15Å; V852-I883 HydrophobicContact CG2-CG2 4.41Å; V879-I883 HydrophobicContact CG1-CD1 4.44Å; V879-I883 HydrophobicContact CG1-CG2 4.42Å; V879-I883 WeakPolarHBondContact O-CG1 3.17Å; V879-I883 PolarHBondContact O-N 3.39Å; F880-I883 PolarHBondContact O-N 3.09Å; I883-Q885 VanDerWaalsContact C-N 3.29Å; I883-Q885 PolarHBondContact O-N 3.49Å; I883-A886 CarbonylContact O-C 3.5Å; I883-A886 PolarHBondContact O-N 3Å; I883-A887 VanDerWaalsContact O-CA 3.27Å; I883-A887 WeakPolarHBondContact O-CA 3.32Å; I883-A887 PolarHBondContact O-N 3.06Å; I883-L890 HydrophobicContact CB-CD1 3.7Å; I883-L890 HydrophobicContact CG2-CD1 3.92Å; I883-V899 HydrophobicContact CD1-CG1 3.95Å; I883-I900 HydrophobicContact CD1-CD1 4.18Å; I883-F903 HydrophobicContact CD1-CD2 3.48Å; I883-F903 VanDerWaalsContact CD1-CD2 3.48Å; I883-F903 HydrophobicContact CD1-CE2 3.38Å; I883-F903 HydrophobicContact CD1-CG 4.42Å; I883-F903 HydrophobicContact CD1-CZ 4.26Å
884L96.7Very high96.8Very high41 Ų4145.8 Ų45.822%0.21525%0.246CC..THydrogen-bonded Turntrans-60.8-35.6-175.5179.963.2000113.1F880 E882 A887 A914 L915 R918F880-L884 HydrophobicContact CE1-CB 4.34Å; F880-L884 HydrophobicContact CE1-CD1 4.12Å; F880-L884 HydrophobicContact CE1-CD2 3.88Å; F880-L884 HydrophobicContact CE1-CG 4.34Å; F880-L884 HydrophobicContact CZ-CD1 3.86Å; F880-L884 HydrophobicContact CZ-CD2 4.46Å; F880-L884 VanDerWaalsContact O-CB 3.3Å; F880-L884 WeakPolarHBondContact O-CB 3.44Å; F880-L884 PolarHBondContact O-N 3.37Å; E882-L884 VanDerWaalsContact C-N 3.34Å; E882-L884 PolarHBondContact O-N 2.95Å; L884-A887 VanDerWaalsContact O-CB 3.26Å; L884-A887 WeakPolarHBondContact O-CB 3.17Å; L884-A887 PolarHBondContact O-N 2.71Å; L884-A914 HydrophobicContact CD1-CB 4.19Å; L884-A914 HydrophobicContact CD2-CB 4.49Å; L884-L915 HydrophobicContact CD1-CD2 4.31Å; L884-R918 HydrophobicContact CD1-CG 3.79Å; L884-R918 PolarHBondContact O-NE 3.23Å
885Q94.1Very high97Very high150 Ų15045 Ų4570%0.70123%0.229SC*.THydrogen-bonded Turntrans-69.9-46.3177.6-61.7-62.5-6.300110.9I883 A887 R918I883-Q885 VanDerWaalsContact C-N 3.29Å; I883-Q885 PolarHBondContact O-N 3.49Å; Q885-A887 PolarHBondContact O-N 2.84Å; Q885-R918 PolarHBondContact O-NH2 3.39Å
886A96.7Very high97.1Very high18 Ų1843.1 Ų43.115%0.14922%0.22CC..THydrogen-bonded Turntrans-79.76.3176.300000114.2V852 I883 Y888 Q889 L890V852-A886 HydrophobicContact CB-CB 4.44Å; V852-A886 HydrophobicContact CG1-CB 3.68Å; V852-A886 HydrophobicContact CG2-CB 3.8Å; I883-A886 CarbonylContact O-C 3.5Å; I883-A886 PolarHBondContact O-N 3Å; A886-Y888 PolarHBondContact O-N 3.27Å; A886-Q889 WeakPolarHBondContact O-CB 3.29Å; A886-Q889 PolarHBondContact O-N 2.84Å; A886-L890 HydrophobicContact CB-CD1 4.32Å; A886-L890 HydrophobicContact CB-CG 4.46Å; A886-L890 PolarHBondContact O-N 3.39Å
887A97.8Very high97.3Very high0 Ų040.8 Ų40.80%021%0.211CC..Hα-helixtrans-55.8-46.9-165.500000112.7I883 L884 Q885 Q889 L890 M891 I900 L915 R918I883-A887 VanDerWaalsContact O-CA 3.27Å; I883-A887 WeakPolarHBondContact O-CA 3.32Å; I883-A887 PolarHBondContact O-N 3.06Å; L884-A887 VanDerWaalsContact O-CB 3.26Å; L884-A887 WeakPolarHBondContact O-CB 3.17Å; L884-A887 PolarHBondContact O-N 2.71Å; Q885-A887 PolarHBondContact O-N 2.84Å; A887-Q889 PolarHBondContact O-N 3.37Å; A887-L890 CarbonylContact O-C 3.46Å; A887-L890 PolarHBondContact O-N 3.49Å; A887-M891 HydrophobicContact CB-CE 4.23Å; A887-M891 WeakPolarHBondContact O-CG 3.45Å; A887-M891 PolarHBondContact O-N 2.96Å; A887-I900 HydrophobicContact CB-CD1 4.32Å; A887-L915 HydrophobicContact CB-CD2 3.98Å; A887-R918 HydrophobicContact CB-CB 4.49Å; A887-R918 HydrophobicContact CB-CG 4.48Å
888Y97.6Very high97.4Very high78 Ų7840.1 Ų40.131%0.30621%0.205SC..Hα-helixtrans-60.2-43.2178.9-177.4-95.5000112.8A886 L890 M891 T892 H922 L926A886-Y888 PolarHBondContact O-N 3.27Å; Y888-L890 VanDerWaalsContact C-N 3.33Å; Y888-L890 PolarHBondContact O-N 3.3Å; Y888-M891 WeakPolarHBondContact O-CB 3.45Å; Y888-M891 PolarHBondContact O-N 3.09Å; Y888-T892 HydrophobicContact CE1-CG2 4.38Å; Y888-T892 PolarHBondContact O-N 3.36Å; Y888-T892 PolarHBondContact O-OG1 3.29Å; Y888-H922 HydrophobicContact CD2-CB 4.27Å; Y888-H922 AromaticContact CD2-CD2 3.86Å; Y888-H922 HydrophobicContact CE2-CB 3.79Å; Y888-L926 HydrophobicContact CD2-CD1 4.24Å; Y888-L926 HydrophobicContact CD2-CD2 4.12Å; Y888-L926 HydrophobicContact CD2-CG 4.38Å; Y888-L926 HydrophobicContact CE2-CD1 4.07Å; Y888-L926 HydrophobicContact CE2-CD2 3.68Å; Y888-L926 HydrophobicContact CE2-CG 3.78Å
889Q97.8Very high97.5Very high105 Ų10536.9 Ų36.949%0.49119%0.189SC..Hα-helixtrans-59.7-46.1175.5-177.3-176.2-200110.5Q856 A886 A887 M891 T892 D893Q856-Q889 VanDerWaalsContact NE2-CD 3.34Å; Q856-Q889 VanDerWaalsContact NE2-NE2 3.11Å; A886-Q889 WeakPolarHBondContact O-CB 3.29Å; A886-Q889 PolarHBondContact O-N 2.84Å; A887-Q889 PolarHBondContact O-N 3.37Å; Q889-M891 PolarHBondContact O-N 2.75Å; Q889-T892 CarbonylContact O-C 3.6Å; Q889-T892 PolarHBondContact O-N 3.2Å; Q889-T892 PolarHBondContact O-OG1 3.48Å; Q889-D893 PolarHBondContact O-N 3.1Å; Q889-D893 VanDerWaalsContact O-N 3.08Å
890L98.5Very high97.6Very high0 Ų036.9 Ų36.90%019%0.189CC..Hα-helixtrans-65.3-36.1177.7-66.1172.1000112.6V852 Q856 I883 A886 A887 Y888 T892 D893 G896 N897 I900V852-L890 HydrophobicContact CG1-CD2 4.32Å; Q856-L890 HydrophobicContact CG-CD2 3.62Å; I883-L890 HydrophobicContact CB-CD1 3.7Å; I883-L890 HydrophobicContact CG2-CD1 3.92Å; A886-L890 HydrophobicContact CB-CD1 4.32Å; A886-L890 HydrophobicContact CB-CG 4.46Å; A886-L890 PolarHBondContact O-N 3.39Å; A887-L890 CarbonylContact O-C 3.46Å; A887-L890 PolarHBondContact O-N 3.49Å; Y888-L890 VanDerWaalsContact C-N 3.33Å; Y888-L890 PolarHBondContact O-N 3.3Å; L890-T892 PolarHBondContact O-N 2.88Å; L890-D893 PolarHBondContact O-N 3.16Å; L890-D893 VanDerWaalsContact O-N 3.17Å; L890-G896 CarbonylContact O-C 3.25Å; L890-N897 VanDerWaalsContact O-CA 3.31Å; L890-N897 WeakPolarHBondContact O-CA 3.46Å; L890-N897 PolarHBondContact O-N 3.46Å; L890-I900 HydrophobicContact CB-CD1 4Å; L890-I900 HydrophobicContact CB-CG1 3.87Å; L890-I900 HydrophobicContact CD1-CD1 4.29Å
891M98.6Very high97.6Very high0 Ų038.3 Ų38.30%020%0.196CC..Hα-helixtrans-59.8-36.1174.3-68.4169.9-176.900112.3A887 Y888 Q889 I900 L915 I919 L926 Y931 G932 V935A887-M891 HydrophobicContact CB-CE 4.23Å; A887-M891 WeakPolarHBondContact O-CG 3.45Å; A887-M891 PolarHBondContact O-N 2.96Å; Y888-M891 WeakPolarHBondContact O-CB 3.45Å; Y888-M891 PolarHBondContact O-N 3.09Å; Q889-M891 PolarHBondContact O-N 2.75Å; M891-I900 HydrophobicContact CE-CG2 3.81Å; M891-I900 HydrophobicContact CG-CB 4.38Å; M891-I900 HydrophobicContact CG-CG1 4.12Å; M891-I900 HydrophobicContact CG-CG2 3.93Å; M891-L915 HydrophobicContact CE-CD2 4.12Å; M891-I919 HydrophobicContact CE-CD1 4.02Å; M891-I919 HydrophobicContact CE-CG1 3.63Å; M891-I919 HydrophobicContact SD-CD1 4.41Å; M891-I919 HydrophobicContact SD-CG1 3.75Å; M891-L926 HydrophobicContact CB-CD2 3.94Å; M891-L926 HydrophobicContact SD-CD1 4.02Å; M891-Y931 CarbonylContact O-C 3.56Å; M891-G932 WeakPolarHBondContact O-CA 3.26Å; M891-G932 PolarHBondContact O-N 3.24Å; M891-V935 HydrophobicContact CB-CG2 4.09Å; M891-V935 HydrophobicContact CE-CG1 4.45Å; M891-V935 HydrophobicContact CG-CB 4.35Å; M891-V935 HydrophobicContact CG-CG1 4Å; M891-V935 HydrophobicContact CG-CG2 4.12Å; M891-V935 HydrophobicContact SD-CG1 4.43Å
892T98.3Very high97.7Very high36 Ų3638 Ų3822%0.22118%0.181CC..THydrogen-bonded Turntrans-88.8-5.2177.957.50000114.7Y888 Q889 L890 L926 Q929 Y931Y888-T892 HydrophobicContact CE1-CG2 4.38Å; Y888-T892 PolarHBondContact O-N 3.36Å; Y888-T892 PolarHBondContact O-OG1 3.29Å; Q889-T892 CarbonylContact O-C 3.6Å; Q889-T892 PolarHBondContact O-N 3.2Å; Q889-T892 PolarHBondContact O-OG1 3.48Å; L890-T892 PolarHBondContact O-N 2.88Å; T892-L926 HydrophobicContact CG2-CD2 3.81Å; T892-Q929 HydrophobicContact CG2-CG 4.26Å; T892-Q929 PolarHBondContact O-NE2 3.44Å; T892-Y931 WeakPolarHBondContact O-CD2 3.42Å
893D98.6Very high97.8Very high36 Ų3635.6 Ų35.619%0.19317%0.17CC..SBendtrans-87.3147.6-177.1-179.3-105.6000112.9Q889 L890 F895 G896 N897Q889-D893 PolarHBondContact O-N 3.1Å; Q889-D893 VanDerWaalsContact O-N 3.08Å; L890-D893 PolarHBondContact O-N 3.16Å; L890-D893 VanDerWaalsContact O-N 3.17Å; D893-F895 VanDerWaalsContact C-N 3.28Å; D893-F895 PolarHBondContact O-N 3.13Å; D893-F895 WeakPolarHBondContact OD1-CA 3.39Å; D893-F895 PolarHBondContact OD1-N 3.08Å; D893-G896 PolarHBondContact OD1-N 3.29Å; D893-N897 WeakPolarHBondContact O-CB 3.28Å; D893-N897 PolarHBondContact O-N 3.42Å; D893-N897 PolarHBondContact O-ND2 2.88Å
894V98Very high97.8Very high53 Ų5335.6 Ų35.632%0.32117%0.17SC..THydrogen-bonded Turntrans-62.9-28-17857.20000114N897 Y898 Y931V894-N897 PolarHBondContact O-ND2 3.18Å; V894-N897 VanDerWaalsContact O-ND2 3.09Å; V894-Y898 WeakPolarHBondContact O-CE2 3.49Å; V894-Y931 HydrophobicContact CB-CE1 4.05Å; V894-Y931 HydrophobicContact CB-CE2 3.86Å; V894-Y931 HydrophobicContact CG2-CE1 3.89Å; V894-Y931 HydrophobicContact CG2-CE2 4.46Å; V894-Y931 VanDerWaalsContact CG2-OH 3.31Å; V894-Y931 WeakPolarHBondContact CG2-OH 3.21Å
895F98.5Very high97.7Very high59 Ų5936.9 Ų36.926%0.25918%0.175SC..THydrogen-bonded Turntrans-114.2-31.4177.8-53-54.5000112.7S855 Q856 Q858 S861 D893 N897S855-F895 CarbonylContact O-C 3.59Å; S855-F895 VanDerWaalsContact O-C 3.24Å; Q856-F895 WeakPolarHBondContact O-CD2 3.46Å; Q858-F895 HydrophobicContact CB-CD1 4.19Å; Q858-F895 HydrophobicContact CB-CD2 4.33Å; Q858-F895 HydrophobicContact CB-CE1 3.8Å; Q858-F895 HydrophobicContact CB-CE2 3.95Å; Q858-F895 HydrophobicContact CB-CG 4.45Å; Q858-F895 HydrophobicContact CB-CZ 3.67Å; Q858-F895 HydrophobicContact CG-CD1 4.26Å; Q858-F895 HydrophobicContact CG-CE1 3.72Å; Q858-F895 HydrophobicContact CG-CZ 3.99Å; S861-F895 PolarHBondContact OG-O 3.1Å; D893-F895 VanDerWaalsContact C-N 3.28Å; D893-F895 PolarHBondContact O-N 3.13Å; D893-F895 WeakPolarHBondContact OD1-CA 3.39Å; D893-F895 PolarHBondContact OD1-N 3.08Å; F895-N897 VanDerWaalsContact C-N 3.33Å; F895-N897 PolarHBondContact O-N 3Å
896G98.4Very high97.7Very high0 Ų033.3 Ų33.30%016%0.157CC..Hα-helixtrans-65.8-31.6-178.700000113.9S855 L890 D893 Y898 V899 I900S855-G896 WeakPolarHBondContact O-CA 3.41Å; S855-G896 PolarHBondContact O-N 3.09Å; L890-G896 CarbonylContact O-C 3.25Å; D893-G896 PolarHBondContact OD1-N 3.29Å; G896-Y898 PolarHBondContact O-N 2.71Å; G896-Y898 VanDerWaalsContact O-N 3.13Å; G896-V899 WeakPolarHBondContact O-CB 3.23Å; G896-V899 PolarHBondContact O-N 2.77Å; G896-I900 PolarHBondContact O-N 3.27Å
897N98.5Very high97.6Very high1 Ų133 Ų331%0.00516%0.156CC..Hα-helixtrans-59.1-31.8-176.672.389.8000112.2L890 D893 V894 F895 Q901 V935L890-N897 VanDerWaalsContact O-CA 3.31Å; L890-N897 WeakPolarHBondContact O-CA 3.46Å; L890-N897 PolarHBondContact O-N 3.46Å; D893-N897 WeakPolarHBondContact O-CB 3.28Å; D893-N897 PolarHBondContact O-N 3.42Å; D893-N897 PolarHBondContact O-ND2 2.88Å; V894-N897 PolarHBondContact O-ND2 3.18Å; V894-N897 VanDerWaalsContact O-ND2 3.09Å; F895-N897 VanDerWaalsContact C-N 3.33Å; F895-N897 PolarHBondContact O-N 3Å; N897-Q901 VanDerWaalsContact C-NE2 3.3Å; N897-Q901 WeakPolarHBondContact O-CB 3.41Å; N897-Q901 WeakPolarHBondContact O-CG 3.43Å; N897-Q901 PolarHBondContact O-N 3.42Å; N897-Q901 PolarHBondContact O-NE2 2.91Å; N897-Q901 PolarHBondContact OD1-NE2 3.2Å; N897-V935 HydrophobicContact CB-CG2 4.06Å
898Y98.5Very high97.4Very high91 Ų9135.3 Ų35.336%0.35717%0.172SC..Hα-helixtrans-71.9-31.7178.1-61.5-68.7000112.8Q865 V894 G896 K902Q865-Y898 VanDerWaalsContact NE2-CB 3.31Å; V894-Y898 WeakPolarHBondContact O-CE2 3.49Å; G896-Y898 PolarHBondContact O-N 2.71Å; G896-Y898 VanDerWaalsContact O-N 3.13Å; Y898-K902 WeakPolarHBondContact O-CG 3.15Å; Y898-K902 PolarHBondContact O-N 3Å
899V98.3Very high97.2Very high0 Ų034.8 Ų34.80%018%0.184CC..Hα-helixtrans-68.8-44.5174.9-179.50000109.7S861 I864 Q865 L868 I883 G896 Q901 K902 F903S861-V899 WeakPolarHBondContact OG-CG2 3.43Å; I864-V899 HydrophobicContact CB-CG2 4.38Å; I864-V899 HydrophobicContact CG2-CG1 3.77Å; I864-V899 HydrophobicContact CG2-CG2 4.02Å; Q865-V899 HydrophobicContact CG-CG2 4.48Å; L868-V899 HydrophobicContact CD1-CG1 4.2Å; I883-V899 HydrophobicContact CD1-CG1 3.95Å; G896-V899 WeakPolarHBondContact O-CB 3.23Å; G896-V899 PolarHBondContact O-N 2.77Å; V899-Q901 PolarHBondContact O-N 2.97Å; V899-K902 PolarHBondContact O-N 2.86Å; V899-K902 VanDerWaalsContact O-N 3.16Å; V899-F903 HydrophobicContact CG1-CD2 4.32Å; V899-F903 HydrophobicContact CG1-CE2 4.28Å; V899-F903 WeakPolarHBondContact O-CD2 3.38Å; V899-F903 PolarHBondContact O-N 2.87Å; V899-F903 VanDerWaalsContact O-N 3.13Å
900I98.4Very high97Very high0 Ų035.4 Ų35.40%019%0.191CC..Hα-helixtrans-62.5-42.4175.6-53.5-63.5000111.1I883 A887 L890 M891 G896 K902 F903 F904 L915 V935I883-I900 HydrophobicContact CD1-CD1 4.18Å; A887-I900 HydrophobicContact CB-CD1 4.32Å; L890-I900 HydrophobicContact CB-CD1 4Å; L890-I900 HydrophobicContact CB-CG1 3.87Å; L890-I900 HydrophobicContact CD1-CD1 4.29Å; M891-I900 HydrophobicContact CE-CG2 3.81Å; M891-I900 HydrophobicContact CG-CB 4.38Å; M891-I900 HydrophobicContact CG-CG1 4.12Å; M891-I900 HydrophobicContact CG-CG2 3.93Å; G896-I900 PolarHBondContact O-N 3.27Å; I900-K902 VanDerWaalsContact C-N 3.33Å; I900-K902 PolarHBondContact O-N 3.38Å; I900-F903 PolarHBondContact O-N 2.84Å; I900-F903 VanDerWaalsContact O-N 3.13Å; I900-F904 HydrophobicContact CG2-CD2 4.15Å; I900-F904 HydrophobicContact CG2-CE2 3.91Å; I900-F904 PolarHBondContact O-N 3.47Å; I900-L915 HydrophobicContact CD1-CD2 4.3Å; I900-L915 HydrophobicContact CG2-CD1 4.1Å; I900-L915 HydrophobicContact CG2-CD2 4.2Å; I900-V935 HydrophobicContact CB-CG1 4.46Å; I900-V935 HydrophobicContact CB-CG2 4.48Å; I900-V935 HydrophobicContact CG2-CG1 3.67Å
901Q98.1Very high96.9Very high38 Ų3835.9 Ų35.918%0.17819%0.193CC..Hα-helixtrans-59.7-39173-79165.684.300112.7N897 V899 F903 F904 E905 V935 K938N897-Q901 VanDerWaalsContact C-NE2 3.3Å; N897-Q901 WeakPolarHBondContact O-CB 3.41Å; N897-Q901 WeakPolarHBondContact O-CG 3.43Å; N897-Q901 PolarHBondContact O-N 3.42Å; N897-Q901 PolarHBondContact O-NE2 2.91Å; N897-Q901 PolarHBondContact OD1-NE2 3.2Å; V899-Q901 PolarHBondContact O-N 2.97Å; Q901-F903 VanDerWaalsContact C-N 3.29Å; Q901-F903 PolarHBondContact O-N 2.84Å; Q901-F904 PolarHBondContact O-N 2.8Å; Q901-E905 WeakPolarHBondContact O-CB 3.33Å; Q901-E905 PolarHBondContact O-N 3.46Å; Q901-V935 HydrophobicContact CG-CG2 4.38Å; Q901-K938 HydrophobicContact CB-CB 4.45Å; Q901-K938 HydrophobicContact CB-CG 4.13Å; Q901-K938 HydrophobicContact CG-CB 3.82Å; Q901-K938 HydrophobicContact CG-CG 4.05Å
902K97.7Very high96.7Very high40 Ų4037.7 Ų37.717%0.17420%0.201CC..Hα-helixtrans-67.8-24.9175.5-74.8-73.4168.4-172.90113.4Q865 L868 E869 Y898 V899 I900 E905 F906Q865-K902 HydrophobicContact CB-CG 4.32Å; Q865-K902 HydrophobicContact CG-CG 4.15Å; L868-K902 HydrophobicContact CD1-CB 4.18Å; E869-K902 HydrophobicContact CG-CD 4.48Å; E869-K902 WeakPolarHBondContact OE1-CE 3.42Å; E869-K902 IonicContact OE1-NZ 3.71Å; E869-K902 PolarHBondContact OE1-NZ 3.37Å; Y898-K902 WeakPolarHBondContact O-CG 3.15Å; Y898-K902 PolarHBondContact O-N 3Å; V899-K902 PolarHBondContact O-N 2.86Å; V899-K902 VanDerWaalsContact O-N 3.16Å; I900-K902 VanDerWaalsContact C-N 3.33Å; I900-K902 PolarHBondContact O-N 3.38Å; K902-E905 WeakPolarHBondContact CD-OE2 3.36Å; K902-E905 WeakPolarHBondContact CE-OE2 3.41Å; K902-E905 IonicContact NZ-OE2 3.85Å; K902-E905 PolarHBondContact NZ-OE2 3.2Å; K902-F906 HydrophobicContact CD-CD2 3.9Å; K902-F906 HydrophobicContact CD-CE2 3.64Å; K902-F906 PolarHBondContact O-N 3.28Å
903F97.8Very high96.4Very high2 Ų239.7 Ų39.71%0.00921%0.209CC..Hα-helixtrans-77.8-34.7169.3-86.4-79.5000113.4L868 R876 V879 F880 I883 V899 I900 Q901 E905 G907 L915L868-F903 HydrophobicContact CD1-CD2 4.03Å; L868-F903 HydrophobicContact CD1-CE2 3.56Å; L868-F903 HydrophobicContact CD1-CZ 4.21Å; L868-F903 HydrophobicContact CD2-CE1 4.37Å; L868-F903 HydrophobicContact CD2-CE2 3.81Å; L868-F903 HydrophobicContact CD2-CZ 3.57Å; L868-F903 HydrophobicContact CG-CE2 4.37Å; R876-F903 HydrophobicContact CB-CE1 4.22Å; R876-F903 WeakPolarHBondContact O-CE1 3.28Å; R876-F903 WeakPolarHBondContact O-CZ 3.5Å; V879-F903 HydrophobicContact CB-CE2 4.4Å; V879-F903 HydrophobicContact CB-CZ 3.99Å; V879-F903 HydrophobicContact CG1-CE2 3.79Å; V879-F903 HydrophobicContact CG1-CZ 3.9Å; F880-F903 HydrophobicContact CB-CE1 3.78Å; F880-F903 HydrophobicContact CB-CZ 4.02Å; F880-F903 AromaticContact CD2-CD1 3.52Å; F880-F903 HydrophobicContact CD2-CD1 3.52Å; F880-F903 AromaticContact CD2-CE1 3.65Å; F880-F903 HydrophobicContact CD2-CE1 3.65Å; F880-F903 AromaticContact CD2-CG 3.98Å; F880-F903 HydrophobicContact CD2-CG 3.98Å; F880-F903 HydrophobicContact CD2-CZ 4.21Å; F880-F903 HydrophobicContact CE2-CD1 4.16Å; F880-F903 HydrophobicContact CE2-CG 4.42Å; F880-F903 HydrophobicContact CG-CD1 4.4Å; F880-F903 HydrophobicContact CG-CE1 4.14Å; I883-F903 HydrophobicContact CD1-CD2 3.48Å; I883-F903 VanDerWaalsContact CD1-CD2 3.48Å; I883-F903 HydrophobicContact CD1-CE2 3.38Å; I883-F903 HydrophobicContact CD1-CG 4.42Å; I883-F903 HydrophobicContact CD1-CZ 4.26Å; V899-F903 HydrophobicContact CG1-CD2 4.32Å; V899-F903 HydrophobicContact CG1-CE2 4.28Å; V899-F903 WeakPolarHBondContact O-CD2 3.38Å; V899-F903 PolarHBondContact O-N 2.87Å; V899-F903 VanDerWaalsContact O-N 3.13Å; I900-F903 PolarHBondContact O-N 2.84Å; I900-F903 VanDerWaalsContact O-N 3.13Å; Q901-F903 VanDerWaalsContact C-N 3.29Å; Q901-F903 PolarHBondContact O-N 2.84Å; F903-E905 VanDerWaalsContact C-N 3.25Å; F903-E905 PolarHBondContact O-N 3.32Å; F903-G907 VanDerWaalsContact O-CA 3.26Å; F903-G907 WeakPolarHBondContact O-CA 3.34Å; F903-G907 PolarHBondContact O-N 3.34Å; F903-L915 HydrophobicContact CB-CD1 3.65Å
904F96.3Very high96.2Very high0 Ų039.4 Ų39.40%021%0.212CC..Hα-helixtrans-63.4-33.8166.7-78.9-61.8000112.1I900 Q901 K912 L915 I919 V935 K938 A939 S942 I943I900-F904 HydrophobicContact CG2-CD2 4.15Å; I900-F904 HydrophobicContact CG2-CE2 3.91Å; I900-F904 PolarHBondContact O-N 3.47Å; Q901-F904 PolarHBondContact O-N 2.8Å; F904-K912 HydrophobicContact CD1-CB 4.28Å; F904-K912 HydrophobicContact CD1-CG 4.37Å; F904-K912 HydrophobicContact CE1-CB 4.47Å; F904-K912 WeakPolarHBondContact O-CD 3.46Å; F904-K912 WeakPolarHBondContact O-CE 3.41Å; F904-K912 PolarHBondContact O-NZ 3.47Å; F904-L915 HydrophobicContact CD2-CD1 4.32Å; F904-L915 HydrophobicContact CE1-CB 3.85Å; F904-L915 HydrophobicContact CE1-CD1 4.49Å; F904-L915 HydrophobicContact CE2-CB 3.96Å; F904-L915 HydrophobicContact CE2-CD1 4.08Å; F904-L915 HydrophobicContact CZ-CB 3.37Å; F904-L915 HydrophobicContact CZ-CD1 4.18Å; F904-L915 HydrophobicContact CZ-CG 4.41Å; F904-I919 HydrophobicContact CE2-CD1 3.87Å; F904-I919 HydrophobicContact CZ-CD1 3.61Å; F904-V935 HydrophobicContact CD2-CG1 3.98Å; F904-V935 HydrophobicContact CE2-CG1 3.59Å; F904-K938 HydrophobicContact CB-CG 4Å; F904-A939 HydrophobicContact CD1-CB 4.18Å; F904-A939 HydrophobicContact CD2-CB 4.28Å; F904-A939 HydrophobicContact CE1-CB 3.9Å; F904-A939 HydrophobicContact CE2-CB 3.98Å; F904-A939 HydrophobicContact CG-CB 4.38Å; F904-A939 HydrophobicContact CZ-CB 3.78Å; F904-S942 WeakPolarHBondContact O-CB 3.47Å; F904-S942 PolarHBondContact O-OG 3.44Å; F904-I943 HydrophobicContact CD1-CD1 4.36Å; F904-I943 HydrophobicContact CD1-CG1 4.28Å; F904-I943 HydrophobicContact CE1-CD1 3.82Å; F904-I943 HydrophobicContact CE1-CG1 4.15Å
905E95.4Very high96.2Very high67 Ų6736.9 Ų36.931%0.31320%0.197SC..Hα-helixtrans-71.6-61.3176.1-161.1157-103.900112.3Q901 K902 F903 K912 K938Q901-E905 WeakPolarHBondContact O-CB 3.33Å; Q901-E905 PolarHBondContact O-N 3.46Å; K902-E905 WeakPolarHBondContact CD-OE2 3.36Å; K902-E905 WeakPolarHBondContact CE-OE2 3.41Å; K902-E905 IonicContact NZ-OE2 3.85Å; K902-E905 PolarHBondContact NZ-OE2 3.2Å; F903-E905 VanDerWaalsContact C-N 3.25Å; F903-E905 PolarHBondContact O-N 3.32Å; E905-K912 PolarHBondContact O-NZ 3.29Å; E905-K938 WeakPolarHBondContact OE1-CE 3.37Å; E905-K938 IonicContact OE1-NZ 3.15Å; E905-K938 PolarHBondContact OE1-NZ 2.88Å
906F94.1Very high95.9Very high75 Ų7534.2 Ų34.233%0.32919%0.186SC..Hα-helixtrans-112.13.1-167.2-56.2-69.8000116.3E869 R876 K902E869-F906 HydrophobicContact CG-CD2 4.16Å; E869-F906 HydrophobicContact CG-CE2 3.57Å; E869-F906 HydrophobicContact CG-CZ 4.04Å; R876-F906 PolarHBondContact NH1-O 2.87Å; K902-F906 HydrophobicContact CD-CD2 3.9Å; K902-F906 HydrophobicContact CD-CE2 3.64Å; K902-F906 PolarHBondContact O-N 3.28Å
907G94.8Very high95.6Very high11 Ų1138.5 Ų38.511%0.11321%0.212CC..SBendtrans-74.3162.9176.600000113.5F903 K912F903-G907 VanDerWaalsContact O-CA 3.26Å; F903-G907 WeakPolarHBondContact O-CA 3.34Å; F903-G907 PolarHBondContact O-N 3.34Å; G907-K912 WeakPolarHBondContact O-CE 3.5Å
908S94.2Very high95.4Very high49 Ų4942.5 Ų42.534%0.34323%0.227SC..  trans-66.3163.8170.678.10000111.4D910 Q911 K912S908-D910 PolarHBondContact O-N 3.27Å; S908-D910 PolarHBondContact OG-N 2.98Å; S908-D910 PolarHBondContact OG-OD2 3.06Å; S908-Q911 WeakPolarHBondContact O-CB 3.19Å; S908-Q911 PolarHBondContact O-N 3.45Å; S908-Q911 WeakPolarHBondContact OG-CG 3.34Å; S908-Q911 PolarHBondContact OG-N 2.96Å; S908-K912 WeakPolarHBondContact O-CG 3.4Å; S908-K912 PolarHBondContact O-N 3.05Å
909A92.5Very high95.3Very high67 Ų6738.2 Ų38.255%0.55421%0.21SC*.Hα-helixtrans-52.6-43.8174.300000111.6Q911 K912 L913A909-Q911 VanDerWaalsContact C-N 3.34Å; A909-Q911 PolarHBondContact O-N 3.23Å; A909-K912 PolarHBondContact O-N 3.12Å; A909-L913 WeakPolarHBondContact O-CB 3.32Å; A909-L913 PolarHBondContact O-N 2.95Å
910D93.4Very high95Very high119 Ų11944.6 Ų44.664%0.63623%0.234SC*.Hα-helixtrans-62.4-38.6177.8-30.3-78.1000112.3S908 A914S908-D910 PolarHBondContact O-N 3.27Å; S908-D910 PolarHBondContact OG-N 2.98Å; S908-D910 PolarHBondContact OG-OD2 3.06Å; D910-A914 WeakPolarHBondContact O-CB 3.33Å; D910-A914 PolarHBondContact O-N 3.24Å
911Q95.9Very high94.8Very high9 Ų947.1 Ų47.14%0.04226%0.261CS..Hα-helixtrans-67.6-41.2176.6-68.6173.4-12.400111.4F880 S908 A909 L915F880-Q911 HydrophobicContact CD1-CB 4.44Å; F880-Q911 HydrophobicContact CD1-CG 3.81Å; F880-Q911 HydrophobicContact CD2-CB 4.1Å; F880-Q911 HydrophobicContact CD2-CG 4.04Å; F880-Q911 HydrophobicContact CE1-CB 4.11Å; F880-Q911 HydrophobicContact CE1-CG 3.87Å; F880-Q911 HydrophobicContact CE2-CB 3.74Å; F880-Q911 HydrophobicContact CE2-CG 4.1Å; F880-Q911 HydrophobicContact CG-CB 4.43Å; F880-Q911 HydrophobicContact CG-CG 3.89Å; F880-Q911 HydrophobicContact CZ-CB 3.75Å; F880-Q911 HydrophobicContact CZ-CG 4.02Å; F880-Q911 VanDerWaalsContact CZ-O 3.29Å; F880-Q911 WeakPolarHBondContact CZ-O 3.49Å; S908-Q911 WeakPolarHBondContact O-CB 3.19Å; S908-Q911 PolarHBondContact O-N 3.45Å; S908-Q911 WeakPolarHBondContact OG-CG 3.34Å; S908-Q911 PolarHBondContact OG-N 2.96Å; A909-Q911 VanDerWaalsContact C-N 3.34Å; A909-Q911 PolarHBondContact O-N 3.23Å; Q911-L915 WeakPolarHBondContact O-CG 3.48Å; Q911-L915 PolarHBondContact O-N 2.83Å
912K95Very high94.7Very high39 Ų3948.8 Ų48.817%0.1727%0.268CS..Hα-helixtrans-65.4-44.1175-60.5-174.1-164.2-155.20111.2F904 E905 G907 S908 A909 L915 A916 S942F904-K912 HydrophobicContact CD1-CB 4.28Å; F904-K912 HydrophobicContact CD1-CG 4.37Å; F904-K912 HydrophobicContact CE1-CB 4.47Å; F904-K912 WeakPolarHBondContact O-CD 3.46Å; F904-K912 WeakPolarHBondContact O-CE 3.41Å; F904-K912 PolarHBondContact O-NZ 3.47Å; E905-K912 PolarHBondContact O-NZ 3.29Å; G907-K912 WeakPolarHBondContact O-CE 3.5Å; S908-K912 WeakPolarHBondContact O-CG 3.4Å; S908-K912 PolarHBondContact O-N 3.05Å; A909-K912 PolarHBondContact O-N 3.12Å; K912-L915 PolarHBondContact O-N 2.98Å; K912-A916 WeakPolarHBondContact O-CB 3.46Å; K912-A916 PolarHBondContact O-N 3.06Å; K912-S942 WeakPolarHBondContact CD-O 3.46Å
913L92.6Very high94.6Very high77 Ų7746.9 Ų46.940%0.40326%0.26SS..Hα-helixtrans-65.4-40.4177.6-178.360.9000112.4A909 A916 T917 V949A909-L913 WeakPolarHBondContact O-CB 3.32Å; A909-L913 PolarHBondContact O-N 2.95Å; L913-A916 PolarHBondContact O-N 3.28Å; L913-T917 WeakPolarHBondContact O-CB 3.49Å; L913-T917 PolarHBondContact O-N 3.46Å; L913-T917 PolarHBondContact O-OG1 3Å; L913-V949 HydrophobicContact CD1-CG1 4.43Å; L913-V949 HydrophobicContact CD1-CG2 3.79Å
914A94.9Very high94.6Very high30 Ų3048.1 Ų48.125%0.24827%0.266CS..Hα-helixtrans-63.6-43.6173.900000111.3F880 L884 D910 T917 R918F880-A914 HydrophobicContact CE1-CB 4.12Å; F880-A914 HydrophobicContact CZ-CB 3.96Å; L884-A914 HydrophobicContact CD1-CB 4.19Å; L884-A914 HydrophobicContact CD2-CB 4.49Å; D910-A914 WeakPolarHBondContact O-CB 3.33Å; D910-A914 PolarHBondContact O-N 3.24Å; A914-T917 WeakPolarHBondContact O-CB 3.33Å; A914-T917 PolarHBondContact O-N 2.8Å; A914-R918 WeakPolarHBondContact O-CG 3.48Å; A914-R918 PolarHBondContact O-N 3.47Å; A914-R918 VanDerWaalsContact O-N 3.09Å
915L96.3Very high94.7Very high0 Ų051.2 Ų51.20%029%0.286CS..Hα-helixtrans-64.9-40.2173.9-71.9172.8000112.7F880 L884 A887 M891 I900 F903 F904 Q911 K912 T917 R918 I919F880-L915 HydrophobicContact CE2-CD1 3.93Å; F880-L915 HydrophobicContact CE2-CD2 4.13Å; F880-L915 HydrophobicContact CE2-CG 3.74Å; F880-L915 HydrophobicContact CZ-CD2 4.49Å; F880-L915 HydrophobicContact CZ-CG 4.05Å; L884-L915 HydrophobicContact CD1-CD2 4.31Å; A887-L915 HydrophobicContact CB-CD2 3.98Å; M891-L915 HydrophobicContact CE-CD2 4.12Å; I900-L915 HydrophobicContact CD1-CD2 4.3Å; I900-L915 HydrophobicContact CG2-CD1 4.1Å; I900-L915 HydrophobicContact CG2-CD2 4.2Å; F903-L915 HydrophobicContact CB-CD1 3.65Å; F904-L915 HydrophobicContact CD2-CD1 4.32Å; F904-L915 HydrophobicContact CE1-CB 3.85Å; F904-L915 HydrophobicContact CE1-CD1 4.49Å; F904-L915 HydrophobicContact CE2-CB 3.96Å; F904-L915 HydrophobicContact CE2-CD1 4.08Å; F904-L915 HydrophobicContact CZ-CB 3.37Å; F904-L915 HydrophobicContact CZ-CD1 4.18Å; F904-L915 HydrophobicContact CZ-CG 4.41Å; Q911-L915 WeakPolarHBondContact O-CG 3.48Å; Q911-L915 PolarHBondContact O-N 2.83Å; K912-L915 PolarHBondContact O-N 2.98Å; L915-T917 VanDerWaalsContact C-N 3.26Å; L915-T917 PolarHBondContact O-N 2.99Å; L915-R918 CarbonylContact O-C 3.48Å; L915-R918 PolarHBondContact O-N 3.05Å; L915-I919 WeakPolarHBondContact O-CG1 3.45Å; L915-I919 PolarHBondContact O-N 3.13Å
916A93.6Very high94.8Very high3 Ų348 Ų483%0.02527%0.272CS..Hα-helixtrans-58.9-39172.900000111.6K912 L913 R918 I919 R920 I943 V949 I953K912-A916 WeakPolarHBondContact O-CB 3.46Å; K912-A916 PolarHBondContact O-N 3.06Å; L913-A916 PolarHBondContact O-N 3.28Å; A916-R918 VanDerWaalsContact C-N 3.29Å; A916-R918 PolarHBondContact O-N 2.96Å; A916-I919 WeakPolarHBondContact O-CB 3.43Å; A916-I919 PolarHBondContact O-N 3.13Å; A916-I919 VanDerWaalsContact O-N 3.1Å; A916-R920 PolarHBondContact O-N 3.41Å; A916-I943 HydrophobicContact CB-CD1 3.87Å; A916-V949 HydrophobicContact CB-CG1 3.74Å; A916-I953 HydrophobicContact CB-CD1 4.2Å
917T92.3Very high95Very high90 Ų9044.4 Ų44.455%0.55226%0.256SS*.Hα-helixtrans-67.5-26.7175.1-54.60000112.7L913 A914 L915L913-T917 WeakPolarHBondContact O-CB 3.49Å; L913-T917 PolarHBondContact O-N 3.46Å; L913-T917 PolarHBondContact O-OG1 3Å; A914-T917 WeakPolarHBondContact O-CB 3.33Å; A914-T917 PolarHBondContact O-N 2.8Å; L915-T917 VanDerWaalsContact C-N 3.26Å; L915-T917 PolarHBondContact O-N 2.99Å
918R94.4Very high95.2Very high86 Ų8645.9 Ų45.933%0.32526%0.261SS..Hα-helixtrans-82.1-16.4170.7-58.6-62.9-75.9125-4.9113.9L884 Q885 A887 A914 L915 A916L884-R918 HydrophobicContact CD1-CG 3.79Å; L884-R918 PolarHBondContact O-NE 3.23Å; Q885-R918 PolarHBondContact O-NH2 3.39Å; A887-R918 HydrophobicContact CB-CB 4.49Å; A887-R918 HydrophobicContact CB-CG 4.48Å; A914-R918 WeakPolarHBondContact O-CG 3.48Å; A914-R918 PolarHBondContact O-N 3.47Å; A914-R918 VanDerWaalsContact O-N 3.09Å; L915-R918 CarbonylContact O-C 3.48Å; L915-R918 PolarHBondContact O-N 3.05Å; A916-R918 VanDerWaalsContact C-N 3.29Å; A916-R918 PolarHBondContact O-N 2.96Å
919I95.1Very high95.4Very high0 Ų046.2 Ų46.20%026%0.257CS..Hα-helixtrans-83.7-33.4173.3-74.3169.8000111.3M891 F904 L915 A916 H922 V923 L926 V935 I936 A939M891-I919 HydrophobicContact CE-CD1 4.02Å; M891-I919 HydrophobicContact CE-CG1 3.63Å; M891-I919 HydrophobicContact SD-CD1 4.41Å; M891-I919 HydrophobicContact SD-CG1 3.75Å; F904-I919 HydrophobicContact CE2-CD1 3.87Å; F904-I919 HydrophobicContact CZ-CD1 3.61Å; L915-I919 WeakPolarHBondContact O-CG1 3.45Å; L915-I919 PolarHBondContact O-N 3.13Å; A916-I919 WeakPolarHBondContact O-CB 3.43Å; A916-I919 PolarHBondContact O-N 3.13Å; A916-I919 VanDerWaalsContact O-N 3.1Å; I919-H922 CarbonylContact O-C 3.07Å; I919-H922 WeakPolarHBondContact O-CA 3.5Å; I919-H922 WeakPolarHBondContact O-CB 3.38Å; I919-H922 PolarHBondContact O-N 3.47Å; I919-V923 HydrophobicContact CG2-CG2 3.64Å; I919-V923 PolarHBondContact O-N 2.99Å; I919-L926 HydrophobicContact CG1-CD1 4.12Å; I919-L926 HydrophobicContact CG2-CD1 4.36Å; I919-V935 HydrophobicContact CD1-CG1 4.27Å; I919-I936 HydrophobicContact CD1-CD1 4.2Å; I919-I936 HydrophobicContact CG1-CD1 4.35Å; I919-I936 HydrophobicContact CG2-CD1 3.49Å; I919-I936 VanDerWaalsContact CG2-CD1 3.49Å; I919-A939 HydrophobicContact CD1-CB 4.15Å
920R92.3Very high95.6Very high134 Ų13447.9 Ų47.951%0.50626%0.255SS..THydrogen-bonded Turntrans-57.2134.5179.9-165.3-176.8-174.3129.213.5112.1A916 H922 D952 E956A916-R920 PolarHBondContact O-N 3.41Å; R920-H922 VanDerWaalsContact C-N 3.25Å; R920-D952 IonicContact CZ-OD2 3.72Å; R920-D952 IonicContact NH1-OD2 3.19Å; R920-D952 PolarHBondContact NH1-OD2 3.14Å; R920-D952 IonicContact NH2-OD1 3.17Å; R920-D952 IonicContact NH2-OD2 2.81Å; R920-D952 PolarHBondContact NH2-OD2 3.41Å; R920-E956 VanDerWaalsContact CA-OE1 3.3Å; R920-E956 WeakPolarHBondContact CA-OE1 3.4Å; R920-E956 VanDerWaalsContact CG-OE1 3.28Å; R920-E956 WeakPolarHBondContact CG-OE1 3.46Å
921G93.7Very high95.9Very high54 Ų5445 Ų4556%0.55724%0.235SC*.THydrogen-bonded Turntrans81.4-1.6-171.900000114E956G921-E956 WeakPolarHBondContact CA-OE2 3.36Å; G921-E956 PolarHBondContact N-OE1 2.91Å; G921-E956 PolarHBondContact N-OE2 3.35Å
922H96.4Very high96Very high73 Ų7344.6 Ų44.634%0.33823%0.233SC..  trans-135.510.9-174-57.2-31.2000113.4Y888 I919 R920 L924 P925 L926 E956Y888-H922 HydrophobicContact CD2-CB 4.27Å; Y888-H922 AromaticContact CD2-CD2 3.86Å; Y888-H922 HydrophobicContact CE2-CB 3.79Å; I919-H922 CarbonylContact O-C 3.07Å; I919-H922 WeakPolarHBondContact O-CA 3.5Å; I919-H922 WeakPolarHBondContact O-CB 3.38Å; I919-H922 PolarHBondContact O-N 3.47Å; R920-H922 VanDerWaalsContact C-N 3.25Å; H922-L924 PolarHBondContact O-N 2.84Å; H922-P925 WeakPolarHBondContact O-CD 3.28Å; H922-L926 HydrophobicContact CB-CD1 4.29Å; H922-L926 WeakPolarHBondContact O-CB 3.49Å; H922-L926 WeakPolarHBondContact O-CG 3.37Å; H922-L926 PolarHBondContact O-N 2.9Å; H922-L926 VanDerWaalsContact O-N 3.08Å; H922-E956 PolarHBondContact N-OE2 3.49Å
923V96.8Very high96.1Very high0 Ų042.7 Ų42.70%023%0.225CC..Hα-helixtrans-62-47.5-175178.80000111.8I919 L926 A927 I936 I953 E956 L957I919-V923 HydrophobicContact CG2-CG2 3.64Å; I919-V923 PolarHBondContact O-N 2.99Å; V923-L926 PolarHBondContact O-N 3.16Å; V923-A927 VanDerWaalsContact O-CB 3.26Å; V923-A927 WeakPolarHBondContact O-CB 3.45Å; V923-A927 PolarHBondContact O-N 2.93Å; V923-I936 HydrophobicContact CG1-CD1 4.46Å; V923-I936 HydrophobicContact CG1-CG2 4.49Å; V923-I953 HydrophobicContact CG1-CG2 4.13Å; V923-I953 HydrophobicContact CG2-CB 4.35Å; V923-I953 HydrophobicContact CG2-CG1 4.44Å; V923-I953 HydrophobicContact CG2-CG2 3.9Å; V923-E956 HydrophobicContact CB-CB 3.75Å; V923-E956 HydrophobicContact CB-CG 4.5Å; V923-E956 WeakPolarHBondContact CB-OE2 3.21Å; V923-E956 HydrophobicContact CG1-CB 4.45Å; V923-E956 HydrophobicContact CG2-CB 4Å; V923-E956 HydrophobicContact CG2-CG 4.3Å; V923-E956 VanDerWaalsContact CG2-OE2 3.26Å; V923-E956 WeakPolarHBondContact CG2-OE2 3.38Å; V923-E956 PolarHBondContact N-OE2 3.44Å; V923-E956 VanDerWaalsContact N-OE2 3.08Å; V923-L957 HydrophobicContact CG1-CD2 3.9Å; V923-L957 HydrophobicContact CG1-CG 4.14Å
924L97.2Very high96.4Very high27 Ų2744.2 Ų44.214%0.14123%0.225CC..Hα-helixtrans-61.3-51179174.474.4000112.8H922 L926 A927 L928 L957 H960 C964H922-L924 PolarHBondContact O-N 2.84Å; L924-L926 VanDerWaalsContact C-N 3.3Å; L924-L926 PolarHBondContact O-N 3.08Å; L924-A927 PolarHBondContact O-N 3.07Å; L924-L928 HydrophobicContact CD1-CD1 3.87Å; L924-L928 HydrophobicContact CD1-CG 4.2Å; L924-L928 HydrophobicContact CG-CD1 4.14Å; L924-L928 WeakPolarHBondContact O-CG 3.49Å; L924-L928 PolarHBondContact O-N 3.43Å; L924-L957 HydrophobicContact CB-CD2 4.48Å; L924-L957 HydrophobicContact CD1-CD2 4.45Å; L924-H960 HydrophobicContact CD1-CB 3.96Å; L924-H960 HydrophobicContact CD2-CB 4.31Å; L924-C964 WeakPolarHBondContact CD1-SG 3.28Å
925P98.1Very high96.6Very high65 Ų6542.8 Ų42.842%0.42221%0.214SC..Hα-helixtrans-51.9-44.5172.1-29.934.2000113.8H922 Q929H922-P925 WeakPolarHBondContact O-CD 3.28Å; P925-Q929 WeakPolarHBondContact O-CB 3.41Å; P925-Q929 PolarHBondContact O-N 3.31Å
926L98.4Very high96.6Very high0 Ų042.9 Ų42.90%021%0.214CC..Hα-helixtrans-69.5-40.7179.6-71.4169.8000112.2Y888 M891 T892 I919 H922 V923 L924 L928 Q929 G932 C933 I936Y888-L926 HydrophobicContact CD2-CD1 4.24Å; Y888-L926 HydrophobicContact CD2-CD2 4.12Å; Y888-L926 HydrophobicContact CD2-CG 4.38Å; Y888-L926 HydrophobicContact CE2-CD1 4.07Å; Y888-L926 HydrophobicContact CE2-CD2 3.68Å; Y888-L926 HydrophobicContact CE2-CG 3.78Å; M891-L926 HydrophobicContact CB-CD2 3.94Å; M891-L926 HydrophobicContact SD-CD1 4.02Å; T892-L926 HydrophobicContact CG2-CD2 3.81Å; I919-L926 HydrophobicContact CG1-CD1 4.12Å; I919-L926 HydrophobicContact CG2-CD1 4.36Å; H922-L926 HydrophobicContact CB-CD1 4.29Å; H922-L926 WeakPolarHBondContact O-CB 3.49Å; H922-L926 WeakPolarHBondContact O-CG 3.37Å; H922-L926 PolarHBondContact O-N 2.9Å; H922-L926 VanDerWaalsContact O-N 3.08Å; V923-L926 PolarHBondContact O-N 3.16Å; L924-L926 VanDerWaalsContact C-N 3.3Å; L924-L926 PolarHBondContact O-N 3.08Å; L926-L928 VanDerWaalsContact C-N 3.28Å; L926-L928 PolarHBondContact O-N 2.88Å; L926-Q929 PolarHBondContact O-N 3.17Å; L926-G932 CarbonylContact O-C 3.24Å; L926-C933 PolarHBondContact O-N 3.17Å; L926-I936 HydrophobicContact CB-CD1 3.83Å; L926-I936 HydrophobicContact CB-CG1 3.76Å; L926-I936 HydrophobicContact CD1-CD1 3.95Å
927A98.3Very high96.8Very high0 Ų043.8 Ų43.80%022%0.218CC..Hα-helixtrans-63-33.2-179.300000113.2V923 L924 C933 L957 N969 G970 V973V923-A927 VanDerWaalsContact O-CB 3.26Å; V923-A927 WeakPolarHBondContact O-CB 3.45Å; V923-A927 PolarHBondContact O-N 2.93Å; L924-A927 PolarHBondContact O-N 3.07Å; A927-C933 WeakPolarHBondContact O-CB 3.46Å; A927-L957 HydrophobicContact CB-CD2 4.29Å; A927-N969 CarbonylContact O-C 3.6Å; A927-N969 WeakPolarHBondContact O-CB 3.16Å; A927-G970 WeakPolarHBondContact O-CA 3.46Å; A927-G970 PolarHBondContact O-N 3.35Å; A927-V973 HydrophobicContact CB-CB 4.12Å; A927-V973 HydrophobicContact CB-CG1 4.09Å; A927-V973 HydrophobicContact CB-CG2 3.86Å
928L98.3Very high97Very high41 Ų4141.4 Ų41.422%0.21520%0.2CC..THydrogen-bonded Turntrans-83.5-8.7176-59.6173.7000113.1L924 L926 K963 D967 N969L924-L928 HydrophobicContact CD1-CD1 3.87Å; L924-L928 HydrophobicContact CD1-CG 4.2Å; L924-L928 HydrophobicContact CG-CD1 4.14Å; L924-L928 WeakPolarHBondContact O-CG 3.49Å; L924-L928 PolarHBondContact O-N 3.43Å; L926-L928 VanDerWaalsContact C-N 3.28Å; L926-L928 PolarHBondContact O-N 2.88Å; L928-K963 HydrophobicContact CD1-CD 4.28Å; L928-D967 HydrophobicContact CD2-CB 3.55Å; L928-D967 WeakPolarHBondContact CD2-OD1 3.48Å; L928-N969 PolarHBondContact O-ND2 3.39Å
929Q98.3Very high97Very high57 Ų5737.4 Ų37.427%0.26619%0.185SC..SBendtrans-95.9138.5-176.7-153.3-86.50.500111.6T892 P925 L926 Y931 G932 C933T892-Q929 HydrophobicContact CG2-CG 4.26Å; T892-Q929 PolarHBondContact O-NE2 3.44Å; P925-Q929 WeakPolarHBondContact O-CB 3.41Å; P925-Q929 PolarHBondContact O-N 3.31Å; L926-Q929 PolarHBondContact O-N 3.17Å; Q929-Y931 VanDerWaalsContact C-N 3.27Å; Q929-Y931 PolarHBondContact O-N 3.47Å; Q929-Y931 VanDerWaalsContact O-N 3.15Å; Q929-G932 PolarHBondContact O-N 3.27Å; Q929-C933 VanDerWaalsContact O-CB 3.26Å; Q929-C933 WeakPolarHBondContact O-CB 3.28Å; Q929-C933 PolarHBondContact O-N 2.78Å; Q929-C933 PolarHBondContact O-SG 2.92Å
930M97.2Very high96.9Very high102 Ų10237.4 Ų37.450%0.50219%0.185SC..THydrogen-bonded Turntrans-61.9-25.9-167-168.8170.968.700115.7
931Y98.4Very high97Very high58 Ų5834.8 Ų34.823%0.22718%0.179CC..THydrogen-bonded Turntrans-107.2-38.8176.2-50.2-66.1000111.2M891 T892 V894 Q929 C933 R934 V935M891-Y931 CarbonylContact O-C 3.56Å; T892-Y931 WeakPolarHBondContact O-CD2 3.42Å; V894-Y931 HydrophobicContact CB-CE1 4.05Å; V894-Y931 HydrophobicContact CB-CE2 3.86Å; V894-Y931 HydrophobicContact CG2-CE1 3.89Å; V894-Y931 HydrophobicContact CG2-CE2 4.46Å; V894-Y931 VanDerWaalsContact CG2-OH 3.31Å; V894-Y931 WeakPolarHBondContact CG2-OH 3.21Å; Q929-Y931 VanDerWaalsContact C-N 3.27Å; Q929-Y931 PolarHBondContact O-N 3.47Å; Q929-Y931 VanDerWaalsContact O-N 3.15Å; Y931-C933 VanDerWaalsContact C-N 3.26Å; Y931-C933 PolarHBondContact O-N 2.81Å; Y931-R934 VanDerWaalsContact O-CB 3.32Å; Y931-R934 WeakPolarHBondContact O-CB 3.47Å; Y931-R934 PolarHBondContact O-N 2.89Å; Y931-V935 PolarHBondContact O-N 3.42Å
932G98.3Very high96.8Very high0 Ų033.2 Ų33.20%016%0.159CC..Hα-helixtrans-56.3-38.4175.800000112.7M891 L926 Q929 R934 V935 I936M891-G932 WeakPolarHBondContact O-CA 3.26Å; M891-G932 PolarHBondContact O-N 3.24Å; L926-G932 CarbonylContact O-C 3.24Å; Q929-G932 PolarHBondContact O-N 3.27Å; G932-R934 PolarHBondContact O-N 2.98Å; G932-V935 WeakPolarHBondContact O-CB 3.35Å; G932-V935 PolarHBondContact O-N 3.41Å; G932-I936 WeakPolarHBondContact O-CG1 3.43Å; G932-I936 PolarHBondContact O-N 3.35Å
933C98.3Very high96.3Very high0 Ų030 Ų300%014%0.144CC..Hα-helixtrans-61.2-31178.675.60000112.2L926 A927 Q929 Y931 Q937 N969 V973L926-C933 PolarHBondContact O-N 3.17Å; A927-C933 WeakPolarHBondContact O-CB 3.46Å; Q929-C933 VanDerWaalsContact O-CB 3.26Å; Q929-C933 WeakPolarHBondContact O-CB 3.28Å; Q929-C933 PolarHBondContact O-N 2.78Å; Q929-C933 PolarHBondContact O-SG 2.92Å; Y931-C933 VanDerWaalsContact C-N 3.26Å; Y931-C933 PolarHBondContact O-N 2.81Å; C933-Q937 VanDerWaalsContact C-NE2 3.29Å; C933-Q937 WeakPolarHBondContact O-CB 3.42Å; C933-Q937 WeakPolarHBondContact O-CG 3.24Å; C933-Q937 PolarHBondContact O-N 3.46Å; C933-Q937 PolarHBondContact O-NE2 3.44Å; C933-N969 HydrophobicContact CB-CB 3.94Å; C933-V973 HydrophobicContact CB-CG2 3.96Å
934R98.3Very high94.9Very high109 Ų10934 Ų3441%0.41117%0.172SC..Hα-helixtrans-71.7-37.1176.1-54.3-58.9179.6176.2-0.9111.3Y931 G932 K938Y931-R934 VanDerWaalsContact O-CB 3.32Å; Y931-R934 WeakPolarHBondContact O-CB 3.47Å; Y931-R934 PolarHBondContact O-N 2.89Å; G932-R934 PolarHBondContact O-N 2.98Å; R934-K938 WeakPolarHBondContact O-CB 3.48Å; R934-K938 PolarHBondContact O-N 3.32Å
935V98.1Very high93.6Very high0 Ų037.4 Ų37.40%020%0.198CC..Hα-helixtrans-66.5-45.9172.6-172.80000110.9M891 N897 I900 Q901 F904 I919 Y931 G932 Q937 K938 A939M891-V935 HydrophobicContact CB-CG2 4.09Å; M891-V935 HydrophobicContact CE-CG1 4.45Å; M891-V935 HydrophobicContact CG-CB 4.35Å; M891-V935 HydrophobicContact CG-CG1 4Å; M891-V935 HydrophobicContact CG-CG2 4.12Å; M891-V935 HydrophobicContact SD-CG1 4.43Å; N897-V935 HydrophobicContact CB-CG2 4.06Å; I900-V935 HydrophobicContact CB-CG1 4.46Å; I900-V935 HydrophobicContact CB-CG2 4.48Å; I900-V935 HydrophobicContact CG2-CG1 3.67Å; Q901-V935 HydrophobicContact CG-CG2 4.38Å; F904-V935 HydrophobicContact CD2-CG1 3.98Å; F904-V935 HydrophobicContact CE2-CG1 3.59Å; I919-V935 HydrophobicContact CD1-CG1 4.27Å; Y931-V935 PolarHBondContact O-N 3.42Å; G932-V935 WeakPolarHBondContact O-CB 3.35Å; G932-V935 PolarHBondContact O-N 3.41Å; V935-Q937 VanDerWaalsContact C-N 3.34Å; V935-Q937 PolarHBondContact O-N 3.32Å; V935-K938 PolarHBondContact O-N 2.8Å; V935-A939 VanDerWaalsContact O-CB 3.32Å; V935-A939 WeakPolarHBondContact O-CB 3.44Å; V935-A939 PolarHBondContact O-N 3.27Å
936I97.4Very high92.6Very high1 Ų137.9 Ų37.91%0.00520%0.197CC..Hα-helixtrans-60-45176.8-57.9-59000110.8I919 V923 L926 G932 K938 A939 L940 V973I919-I936 HydrophobicContact CD1-CD1 4.2Å; I919-I936 HydrophobicContact CG1-CD1 4.35Å; I919-I936 HydrophobicContact CG2-CD1 3.49Å; I919-I936 VanDerWaalsContact CG2-CD1 3.49Å; V923-I936 HydrophobicContact CG1-CD1 4.46Å; V923-I936 HydrophobicContact CG1-CG2 4.49Å; L926-I936 HydrophobicContact CB-CD1 3.83Å; L926-I936 HydrophobicContact CB-CG1 3.76Å; L926-I936 HydrophobicContact CD1-CD1 3.95Å; G932-I936 WeakPolarHBondContact O-CG1 3.43Å; G932-I936 PolarHBondContact O-N 3.35Å; I936-K938 PolarHBondContact O-N 2.98Å; I936-A939 PolarHBondContact O-N 3.11Å; I936-L940 HydrophobicContact CG2-CD1 4.19Å; I936-L940 WeakPolarHBondContact O-CG 3.48Å; I936-L940 PolarHBondContact O-N 2.74Å; I936-V973 HydrophobicContact CB-CG1 4.47Å; I936-V973 HydrophobicContact CB-CG2 4.12Å; I936-V973 HydrophobicContact CG2-CG1 3.59Å; I936-V973 HydrophobicContact CG2-CG2 4.13Å
937Q97.1Very high91.5Very high22 Ų2240.3 Ų40.310%0.10321%0.208CC..Hα-helixtrans-55.3-51.5174.2-80.5158.97600111.4C933 V935 A939 L940 E941 V973 K976C933-Q937 VanDerWaalsContact C-NE2 3.29Å; C933-Q937 WeakPolarHBondContact O-CB 3.42Å; C933-Q937 WeakPolarHBondContact O-CG 3.24Å; C933-Q937 PolarHBondContact O-N 3.46Å; C933-Q937 PolarHBondContact O-NE2 3.44Å; V935-Q937 VanDerWaalsContact C-N 3.34Å; V935-Q937 PolarHBondContact O-N 3.32Å; Q937-A939 VanDerWaalsContact C-N 3.32Å; Q937-A939 PolarHBondContact O-N 3.22Å; Q937-L940 PolarHBondContact O-N 3.05Å; Q937-E941 WeakPolarHBondContact O-CG 3.36Å; Q937-E941 PolarHBondContact O-N 3.12Å; Q937-E941 VanDerWaalsContact O-N 3.14Å; Q937-V973 HydrophobicContact CG-CG2 4.43Å; Q937-K976 HydrophobicContact CB-CG 4.24Å; Q937-K976 HydrophobicContact CG-CB 3.94Å; Q937-K976 HydrophobicContact CG-CG 4.16Å
938K96.4Very high90.7Very high41 Ų4146.5 Ų46.518%0.17824%0.237CC..Hα-helixtrans-67.8-30.2-179.1-168.157167.6-177.60113.4Q901 F904 E905 R934 V935 I936 E941 S942Q901-K938 HydrophobicContact CB-CB 4.45Å; Q901-K938 HydrophobicContact CB-CG 4.13Å; Q901-K938 HydrophobicContact CG-CB 3.82Å; Q901-K938 HydrophobicContact CG-CG 4.05Å; F904-K938 HydrophobicContact CB-CG 4Å; E905-K938 WeakPolarHBondContact OE1-CE 3.37Å; E905-K938 IonicContact OE1-NZ 3.15Å; E905-K938 PolarHBondContact OE1-NZ 2.88Å; R934-K938 WeakPolarHBondContact O-CB 3.48Å; R934-K938 PolarHBondContact O-N 3.32Å; V935-K938 PolarHBondContact O-N 2.8Å; I936-K938 PolarHBondContact O-N 2.98Å; K938-E941 WeakPolarHBondContact CD-OE2 3.37Å; K938-E941 IonicContact NZ-OE2 2.96Å; K938-S942 WeakPolarHBondContact O-CB 3.36Å; K938-S942 PolarHBondContact O-N 3.48Å; K938-S942 VanDerWaalsContact O-N 3.16Å; K938-S942 PolarHBondContact O-OG 3.16Å
939A95.1Very high90Very high1 Ų146 Ų461%0.00824%0.236CC..Hα-helixtrans-64.9-48.5174.100000111F904 I919 V935 I936 Q937 E941 S942 I943F904-A939 HydrophobicContact CD1-CB 4.18Å; F904-A939 HydrophobicContact CD2-CB 4.28Å; F904-A939 HydrophobicContact CE1-CB 3.9Å; F904-A939 HydrophobicContact CE2-CB 3.98Å; F904-A939 HydrophobicContact CG-CB 4.38Å; F904-A939 HydrophobicContact CZ-CB 3.78Å; I919-A939 HydrophobicContact CD1-CB 4.15Å; V935-A939 VanDerWaalsContact O-CB 3.32Å; V935-A939 WeakPolarHBondContact O-CB 3.44Å; V935-A939 PolarHBondContact O-N 3.27Å; I936-A939 PolarHBondContact O-N 3.11Å; Q937-A939 VanDerWaalsContact C-N 3.32Å; Q937-A939 PolarHBondContact O-N 3.22Å; A939-E941 VanDerWaalsContact C-N 3.29Å; A939-E941 PolarHBondContact O-N 2.91Å; A939-S942 PolarHBondContact O-N 2.98Å; A939-I943 HydrophobicContact CB-CD1 3.87Å; A939-I943 WeakPolarHBondContact O-CD1 3.26Å; A939-I943 VanDerWaalsContact O-CG1 3.24Å; A939-I943 WeakPolarHBondContact O-CG1 3.02Å; A939-I943 PolarHBondContact O-N 2.98Å
940L93.6Very high89.3Confident1 Ų143.3 Ų43.31%0.00522%0.224CC..Hα-helixtrans-58.5-39.3175.6-67.6168000112.2I936 Q937 S942 I950 I953 V954 V973 K976 V981I936-L940 HydrophobicContact CG2-CD1 4.19Å; I936-L940 WeakPolarHBondContact O-CG 3.48Å; I936-L940 PolarHBondContact O-N 2.74Å; Q937-L940 PolarHBondContact O-N 3.05Å; L940-S942 VanDerWaalsContact C-N 3.3Å; L940-S942 PolarHBondContact O-N 3.2Å; L940-I950 HydrophobicContact CD2-CG2 4.22Å; L940-I953 HydrophobicContact CD2-CG2 4.28Å; L940-V954 HydrophobicContact CD2-CG2 3.77Å; L940-V973 HydrophobicContact CD1-CG1 4.49Å; L940-K976 HydrophobicContact CB-CG 4.1Å; L940-K976 HydrophobicContact CD1-CB 4.22Å; L940-K976 HydrophobicContact CD1-CG 4.09Å; L940-V981 HydrophobicContact CD2-CG2 4.35Å
941E92.9Very high88.7Confident79 Ų7940 Ų4037%0.36921%0.21SC..Hα-helixtrans-67-27.1175.3-68.1175.3167.300113.8Q937 K938 A939 K976Q937-E941 WeakPolarHBondContact O-CG 3.36Å; Q937-E941 PolarHBondContact O-N 3.12Å; Q937-E941 VanDerWaalsContact O-N 3.14Å; K938-E941 WeakPolarHBondContact CD-OE2 3.37Å; K938-E941 IonicContact NZ-OE2 2.96Å; A939-E941 VanDerWaalsContact C-N 3.29Å; A939-E941 PolarHBondContact O-N 2.91Å; E941-K976 HydrophobicContact CG-CD 3.8Å; E941-K976 HydrophobicContact CG-CG 4.47Å; E941-K976 WeakPolarHBondContact OE1-CE 3.49Å; E941-K976 IonicContact OE1-NZ 3.14Å; E941-K976 PolarHBondContact OE1-NZ 3.36Å
942S90.3Very high88.1Confident20 Ų2038.2 Ų38.214%0.1420%0.204CC..Hα-helixtrans-115.3-7.5-162.4-50.70000115.9F904 K912 K938 A939 L940F904-S942 WeakPolarHBondContact O-CB 3.47Å; F904-S942 PolarHBondContact O-OG 3.44Å; K912-S942 WeakPolarHBondContact CD-O 3.46Å; K938-S942 WeakPolarHBondContact O-CB 3.36Å; K938-S942 PolarHBondContact O-N 3.48Å; K938-S942 VanDerWaalsContact O-N 3.16Å; K938-S942 PolarHBondContact O-OG 3.16Å; A939-S942 PolarHBondContact O-N 2.98Å; L940-S942 VanDerWaalsContact C-N 3.3Å; L940-S942 PolarHBondContact O-N 3.2Å
943I85.8Confident87.6Confident6 Ų638.5 Ų38.53%0.03121%0.206CC..  trans-103.715.9177.7-53158.7000110.5F904 A916 A939 S945 D946 V949 I950 I953F904-I943 HydrophobicContact CD1-CD1 4.36Å; F904-I943 HydrophobicContact CD1-CG1 4.28Å; F904-I943 HydrophobicContact CE1-CD1 3.82Å; F904-I943 HydrophobicContact CE1-CG1 4.15Å; A916-I943 HydrophobicContact CB-CD1 3.87Å; A939-I943 HydrophobicContact CB-CD1 3.87Å; A939-I943 WeakPolarHBondContact O-CD1 3.26Å; A939-I943 VanDerWaalsContact O-CG1 3.24Å; A939-I943 WeakPolarHBondContact O-CG1 3.02Å; A939-I943 PolarHBondContact O-N 2.98Å; I943-S945 PolarHBondContact O-N 2.8Å; I943-D946 HydrophobicContact CG2-CB 3.93Å; I943-D946 PolarHBondContact O-N 3.28Å; I943-V949 HydrophobicContact CG2-CB 4.21Å; I943-V949 HydrophobicContact CG2-CG1 4.14Å; I943-I950 HydrophobicContact CB-CD1 4.27Å; I943-I950 HydrophobicContact CB-CG1 4.11Å; I943-I950 HydrophobicContact CG2-CG1 4.24Å; I943-I950 WeakPolarHBondContact O-CD1 3.27Å; I943-I953 HydrophobicContact CD1-CD1 4.18Å
944S67.7Low87.3Confident84 Ų8438.6 Ų38.659%0.58721%0.207SC*.THydrogen-bonded Turntrans-61.9-10.1-16747.50000116.6
945S69.1Low87Confident99 Ų9940.7 Ų40.769%0.69222%0.215SC*.THydrogen-bonded Turntrans-73.1-36166.848.80000113.6I943 Q947I943-S945 PolarHBondContact O-N 2.8Å; S945-Q947 PolarHBondContact O-N 2.87Å
946D78.5Confident86.9Confident74 Ų7443 Ų4340%0.39623%0.225SC..  trans-101.769.4-169-71.5-82.8000110.6I943 Q948 V949 I950I943-D946 HydrophobicContact CG2-CB 3.93Å; I943-D946 PolarHBondContact O-N 3.28Å; D946-Q948 PolarHBondContact O-N 3.05Å; D946-V949 HydrophobicContact CB-CB 4.14Å; D946-V949 HydrophobicContact CB-CG2 3.98Å; D946-V949 PolarHBondContact O-N 3.36Å; D946-I950 PolarHBondContact O-N 2.9Å; D946-I950 VanDerWaalsContact O-N 3.14Å
947Q74.9Confident86.8Confident51 Ų5143.1 Ų43.124%0.23823%0.226CC..Hα-helixtrans-51.1-34.3-176.9-173.760.17400113.2S945 S951S945-Q947 PolarHBondContact O-N 2.87Å; Q947-S951 PolarHBondContact NE2-OG 3.43Å; Q947-S951 WeakPolarHBondContact O-CB 3.48Å; Q947-S951 PolarHBondContact O-N 3.09Å; Q947-S951 PolarHBondContact O-OG 2.98Å
948Q81.4Confident86.7Confident130 Ų13046 Ų4661%0.60724%0.242SC*.Hα-helixtrans-65.2-39.9176.2-178.158.446.300112.9D946 S951 D952D946-Q948 PolarHBondContact O-N 3.05Å; Q948-S951 PolarHBondContact O-N 3.27Å; Q948-D952 PolarHBondContact O-N 3.49Å
949V82.5Confident86.6Confident30 Ų3047.3 Ų47.318%0.18227%0.267CS..Hα-helixtrans-71.3-40.8179.8178.80000110L913 A916 I943 D946 D952 I953L913-V949 HydrophobicContact CD1-CG1 4.43Å; L913-V949 HydrophobicContact CD1-CG2 3.79Å; A916-V949 HydrophobicContact CB-CG1 3.74Å; I943-V949 HydrophobicContact CG2-CB 4.21Å; I943-V949 HydrophobicContact CG2-CG1 4.14Å; D946-V949 HydrophobicContact CB-CB 4.14Å; D946-V949 HydrophobicContact CB-CG2 3.98Å; D946-V949 PolarHBondContact O-N 3.36Å; V949-D952 PolarHBondContact O-N 2.88Å; V949-I953 HydrophobicContact CG1-CD1 4.21Å; V949-I953 WeakPolarHBondContact O-CG1 3.48Å; V949-I953 PolarHBondContact O-N 2.89Å
950I84.3Confident86.7Confident2 Ų251.3 Ų51.31%0.0129%0.286CS..Hα-helixtrans-60.5-49171.8-73.7-179.9000110.8L940 I943 D946 D952 I953 V954 V981L940-I950 HydrophobicContact CD2-CG2 4.22Å; I943-I950 HydrophobicContact CB-CD1 4.27Å; I943-I950 HydrophobicContact CB-CG1 4.11Å; I943-I950 HydrophobicContact CG2-CG1 4.24Å; I943-I950 WeakPolarHBondContact O-CD1 3.27Å; D946-I950 PolarHBondContact O-N 2.9Å; D946-I950 VanDerWaalsContact O-N 3.14Å; I950-D952 VanDerWaalsContact C-N 3.32Å; I950-D952 PolarHBondContact O-N 2.89Å; I950-I953 PolarHBondContact O-N 3.05Å; I950-V954 HydrophobicContact CG2-CG2 4.23Å; I950-V954 WeakPolarHBondContact O-CB 3.49Å; I950-V954 VanDerWaalsContact O-CG2 3.27Å; I950-V954 WeakPolarHBondContact O-CG2 3.23Å; I950-V954 PolarHBondContact O-N 3.42Å; I950-V981 HydrophobicContact CG2-CB 4.25Å; I950-V981 HydrophobicContact CG2-CG1 3.78Å; I950-V981 HydrophobicContact CG2-CG2 3.51Å
951S84.4Confident86.9Confident31 Ų3151.5 Ų51.522%0.21729%0.287CS..Hα-helixtrans-61.7-37.3179-65.20000112.6Q947 Q948 R955Q947-S951 PolarHBondContact NE2-OG 3.43Å; Q947-S951 WeakPolarHBondContact O-CB 3.48Å; Q947-S951 PolarHBondContact O-N 3.09Å; Q947-S951 PolarHBondContact O-OG 2.98Å; Q948-S951 PolarHBondContact O-N 3.27Å; S951-R955 WeakPolarHBondContact O-CB 3.41Å; S951-R955 PolarHBondContact O-N 3Å
952D86.2Confident87.1Confident21 Ų2150.3 Ų50.311%0.11228%0.283CS..Hα-helixtrans-66.5-40.9173.4-91-13000112.6R920 Q948 V949 I950 R955R920-D952 IonicContact CZ-OD2 3.72Å; R920-D952 IonicContact NH1-OD2 3.19Å; R920-D952 PolarHBondContact NH1-OD2 3.14Å; R920-D952 IonicContact NH2-OD1 3.17Å; R920-D952 IonicContact NH2-OD2 2.81Å; R920-D952 PolarHBondContact NH2-OD2 3.41Å; Q948-D952 PolarHBondContact O-N 3.49Å; V949-D952 PolarHBondContact O-N 2.88Å; I950-D952 VanDerWaalsContact C-N 3.32Å; I950-D952 PolarHBondContact O-N 2.89Å; D952-R955 IonicContact OD1-CZ 2.73Å; D952-R955 IonicContact OD1-NE 3.12Å; D952-R955 IonicContact OD1-NH2 2.74Å; D952-R955 PolarHBondContact OD1-NH2 3.17Å
953I87.9Confident87.4Confident7 Ų755.1 Ų55.14%0.03630%0.301CS..Hα-helixtrans-62.5-47.4174.6-75.1169.2000110.9A916 V923 L940 I943 V949 I950 R955 E956A916-I953 HydrophobicContact CB-CD1 4.2Å; V923-I953 HydrophobicContact CG1-CG2 4.13Å; V923-I953 HydrophobicContact CG2-CB 4.35Å; V923-I953 HydrophobicContact CG2-CG1 4.44Å; V923-I953 HydrophobicContact CG2-CG2 3.9Å; L940-I953 HydrophobicContact CD2-CG2 4.28Å; I943-I953 HydrophobicContact CD1-CD1 4.18Å; V949-I953 HydrophobicContact CG1-CD1 4.21Å; V949-I953 WeakPolarHBondContact O-CG1 3.48Å; V949-I953 PolarHBondContact O-N 2.89Å; I950-I953 PolarHBondContact O-N 3.05Å; I953-R955 VanDerWaalsContact C-N 3.33Å; I953-R955 PolarHBondContact O-N 2.87Å; I953-E956 PolarHBondContact O-N 2.84Å
954V91.1Very high88Confident2 Ų254.8 Ų54.81%0.01230%0.3CS..Hα-helixtrans-67.1-36.1-176.8172.90000111.3L940 I950 E956 L957 C977 V981 L986 F988L940-V954 HydrophobicContact CD2-CG2 3.77Å; I950-V954 HydrophobicContact CG2-CG2 4.23Å; I950-V954 WeakPolarHBondContact O-CB 3.49Å; I950-V954 VanDerWaalsContact O-CG2 3.27Å; I950-V954 WeakPolarHBondContact O-CG2 3.23Å; I950-V954 PolarHBondContact O-N 3.42Å; V954-E956 PolarHBondContact O-N 3.31Å; V954-L957 WeakPolarHBondContact O-CB 3.43Å; V954-L957 PolarHBondContact O-N 3.27Å; V954-C977 HydrophobicContact CG1-CB 4.48Å; V954-C977 HydrophobicContact CG2-CB 4.46Å; V954-V981 HydrophobicContact CG2-CG2 4.1Å; V954-L986 HydrophobicContact CG1-CD2 3.9Å; V954-F988 HydrophobicContact CG1-CE1 3.8Å; V954-F988 HydrophobicContact CG1-CZ 3.7Å; V954-F988 WeakPolarHBondContact O-CZ 3.29Å
955R92.3Very high89.5Confident153 Ų15350.8 Ų50.858%0.57727%0.272SS*.Hα-helixtrans-67.8-17.2178.4-172.8165.261.1120.7-3.9114.1S951 D952 I953 L957 D958S951-R955 WeakPolarHBondContact O-CB 3.41Å; S951-R955 PolarHBondContact O-N 3Å; D952-R955 IonicContact OD1-CZ 2.73Å; D952-R955 IonicContact OD1-NE 3.12Å; D952-R955 IonicContact OD1-NH2 2.74Å; D952-R955 PolarHBondContact OD1-NH2 3.17Å; I953-R955 VanDerWaalsContact C-N 3.33Å; I953-R955 PolarHBondContact O-N 2.87Å; R955-L957 PolarHBondContact O-N 3.13Å; R955-D958 VanDerWaalsContact O-CB 3.28Å; R955-D958 WeakPolarHBondContact O-CB 3.24Å; R955-D958 PolarHBondContact O-N 2.72Å
956E95.1Very high90.8Very high48 Ų4849.8 Ų49.822%0.22426%0.255CS..THydrogen-bonded Turntrans-71.2-7.4167.9-74.7-178-142.400113.8R920 G921 H922 V923 I953 V954R920-E956 VanDerWaalsContact CA-OE1 3.3Å; R920-E956 WeakPolarHBondContact CA-OE1 3.4Å; R920-E956 VanDerWaalsContact CG-OE1 3.28Å; R920-E956 WeakPolarHBondContact CG-OE1 3.46Å; G921-E956 WeakPolarHBondContact CA-OE2 3.36Å; G921-E956 PolarHBondContact N-OE1 2.91Å; G921-E956 PolarHBondContact N-OE2 3.35Å; H922-E956 PolarHBondContact N-OE2 3.49Å; V923-E956 HydrophobicContact CB-CB 3.75Å; V923-E956 HydrophobicContact CB-CG 4.5Å; V923-E956 WeakPolarHBondContact CB-OE2 3.21Å; V923-E956 HydrophobicContact CG1-CB 4.45Å; V923-E956 HydrophobicContact CG2-CB 4Å; V923-E956 HydrophobicContact CG2-CG 4.3Å; V923-E956 VanDerWaalsContact CG2-OE2 3.26Å; V923-E956 WeakPolarHBondContact CG2-OE2 3.38Å; V923-E956 PolarHBondContact N-OE2 3.44Å; V923-E956 VanDerWaalsContact N-OE2 3.08Å; I953-E956 PolarHBondContact O-N 2.84Å; V954-E956 PolarHBondContact O-N 3.31Å
957L95.8Very high91.8Very high3 Ų348.1 Ų48.12%0.01625%0.246CC..THydrogen-bonded Turntrans-93.8-4.6171.3-56.7179.2000112.9V923 L924 A927 V954 R955 H960 V961 V973 F988V923-L957 HydrophobicContact CG1-CD2 3.9Å; V923-L957 HydrophobicContact CG1-CG 4.14Å; L924-L957 HydrophobicContact CB-CD2 4.48Å; L924-L957 HydrophobicContact CD1-CD2 4.45Å; A927-L957 HydrophobicContact CB-CD2 4.29Å; V954-L957 WeakPolarHBondContact O-CB 3.43Å; V954-L957 PolarHBondContact O-N 3.27Å; R955-L957 PolarHBondContact O-N 3.13Å; L957-H960 CarbonylContact O-C 3.4Å; L957-H960 WeakPolarHBondContact O-CA 3.3Å; L957-H960 PolarHBondContact O-N 3.14Å; L957-H960 VanDerWaalsContact O-N 3.08Å; L957-V961 PolarHBondContact O-N 2.99Å; L957-V973 HydrophobicContact CD1-CG1 3.9Å; L957-F988 HydrophobicContact CB-CE2 4.43Å
958D95.6Very high92.8Very high82 Ų8251.1 Ų51.144%0.43926%0.26SS..THydrogen-bonded Turntrans-64.7148.3175.7-163.44.1000111.2R955 H960 F988R955-D958 VanDerWaalsContact O-CB 3.28Å; R955-D958 WeakPolarHBondContact O-CB 3.24Å; R955-D958 PolarHBondContact O-N 2.72Å; D958-H960 PolarHBondContact O-N 3.41Å; D958-F988 HydrophobicContact CB-CD2 3.7Å; D958-F988 HydrophobicContact CB-CE2 3.94Å; D958-F988 HydrophobicContact CB-CG 4.29Å; D958-F988 WeakPolarHBondContact OD1-CD2 3.32Å
959G95.1Very high93.6Very high69 Ų6945.7 Ų45.771%0.71124%0.235SC*.THydrogen-bonded Turntrans63-2.7-166.500000115.1
960H97.1Very high94.4Very high86 Ų8644.2 Ų44.240%0.39823%0.226SC..THydrogen-bonded Turntrans-128.2-2.7-172.6-61.8-33.7000114.4L924 L957 D958 L962 K963 C964L924-H960 HydrophobicContact CD1-CB 3.96Å; L924-H960 HydrophobicContact CD2-CB 4.31Å; L957-H960 CarbonylContact O-C 3.4Å; L957-H960 WeakPolarHBondContact O-CA 3.3Å; L957-H960 PolarHBondContact O-N 3.14Å; L957-H960 VanDerWaalsContact O-N 3.08Å; D958-H960 PolarHBondContact O-N 3.41Å; H960-L962 PolarHBondContact O-N 3.28Å; H960-K963 VanDerWaalsContact O-CB 3.31Å; H960-K963 WeakPolarHBondContact O-CB 3.45Å; H960-K963 PolarHBondContact O-N 3.47Å; H960-C964 PolarHBondContact O-N 3.45Å; H960-C964 VanDerWaalsContact O-N 3.15Å
961V97.4Very high95.1Very high4 Ų444.1 Ų44.12%0.02423%0.226CC..Hα-helixtrans-43.9-56.7179.41790000112.8L957 K963 C964 V965 F988 I989 A992 F993L957-V961 PolarHBondContact O-N 2.99Å; V961-K963 PolarHBondContact O-N 2.85Å; V961-C964 PolarHBondContact O-N 3.22Å; V961-V965 HydrophobicContact CG1-CG2 4Å; V961-V965 VanDerWaalsContact O-CG2 3.28Å; V961-V965 WeakPolarHBondContact O-CG2 3.38Å; V961-V965 PolarHBondContact O-N 3.5Å; V961-F988 HydrophobicContact CG2-CD2 3.59Å; V961-F988 HydrophobicContact CG2-CE2 3.49Å; V961-F988 VanDerWaalsContact CG2-CE2 3.49Å; V961-I989 HydrophobicContact CG1-CB 4.4Å; V961-I989 HydrophobicContact CG1-CG2 3.87Å; V961-I989 HydrophobicContact CG2-CG1 4.21Å; V961-A992 HydrophobicContact CB-CB 3.77Å; V961-A992 HydrophobicContact CG1-CB 3.98Å; V961-A992 HydrophobicContact CG2-CB 4.14Å; V961-F993 HydrophobicContact CG1-CD2 4.3Å; V961-F993 HydrophobicContact CG1-CE2 3.85Å
962L96.7Very high95.7Very high55 Ų5545.1 Ų45.129%0.28823%0.227SC..Hα-helixtrans-61.7-27.7-176.9-72.1177.2000113.9H960 K966 A992 Q996 L1000H960-L962 PolarHBondContact O-N 3.28Å; L962-K966 WeakPolarHBondContact O-CB 3.41Å; L962-K966 WeakPolarHBondContact O-CG 3.42Å; L962-K966 PolarHBondContact O-N 3.23Å; L962-A992 WeakPolarHBondContact CD2-O 3.49Å; L962-A992 WeakPolarHBondContact CG-O 3.39Å; L962-Q996 HydrophobicContact CD1-CG 4.14Å; L962-Q996 HydrophobicContact CD2-CB 4.46Å; L962-Q996 HydrophobicContact CD2-CG 4.3Å; L962-L1000 HydrophobicContact CD2-CD1 3.81Å; L962-L1000 HydrophobicContact CD2-CD2 4.27Å
963K97.6Very high96.3Very high120 Ų12044.2 Ų44.252%0.52222%0.222SC..Hα-helixtrans-71.6-45.2173.8-176.4-174.2178.9-173.20110.4L928 H960 V961 K966 D967L928-K963 HydrophobicContact CD1-CD 4.28Å; H960-K963 VanDerWaalsContact O-CB 3.31Å; H960-K963 WeakPolarHBondContact O-CB 3.45Å; H960-K963 PolarHBondContact O-N 3.47Å; V961-K963 PolarHBondContact O-N 2.85Å; K963-K966 PolarHBondContact O-N 2.93Å; K963-D967 WeakPolarHBondContact O-CB 3.39Å; K963-D967 PolarHBondContact O-N 3.28Å
964C98.2Very high96.8Very high0 Ų044 Ų440%022%0.221CC..Hα-helixtrans-65-45.7177.2-63.80000111.9L924 H960 V961 K966 D967 G970 N971 V974L924-C964 WeakPolarHBondContact CD1-SG 3.28Å; H960-C964 PolarHBondContact O-N 3.45Å; H960-C964 VanDerWaalsContact O-N 3.15Å; V961-C964 PolarHBondContact O-N 3.22Å; C964-K966 PolarHBondContact O-N 3.37Å; C964-D967 PolarHBondContact O-N 3.15Å; C964-G970 CarbonylContact O-C 3.07Å; C964-G970 WeakPolarHBondContact O-CA 3.31Å; C964-N971 PolarHBondContact O-N 3.4Å; C964-V974 HydrophobicContact CB-CG2 3.62Å
965V98.3Very high97.1Very high0 Ų044.6 Ų44.60%022%0.223CC..Hα-helixtrans-60.6-32.8179.2172.30000112.6V961 V974 F993 L1000 Y1005 V1009V961-V965 HydrophobicContact CG1-CG2 4Å; V961-V965 VanDerWaalsContact O-CG2 3.28Å; V961-V965 WeakPolarHBondContact O-CG2 3.38Å; V961-V965 PolarHBondContact O-N 3.5Å; V965-V974 HydrophobicContact CG2-CB 4.33Å; V965-V974 HydrophobicContact CG2-CG1 3.98Å; V965-V974 HydrophobicContact CG2-CG2 4.17Å; V965-F993 HydrophobicContact CG1-CZ 3.97Å; V965-F993 HydrophobicContact CG2-CE2 3.75Å; V965-F993 HydrophobicContact CG2-CZ 3.77Å; V965-L1000 HydrophobicContact CG1-CD2 3.8Å; V965-Y1005 WeakPolarHBondContact O-CB 3.49Å; V965-V1009 HydrophobicContact CG1-CB 4.34Å; V965-V1009 HydrophobicContact CG1-CG2 4.03Å; V965-V1009 HydrophobicContact CG2-CG1 4.26Å; V965-V1009 HydrophobicContact CG2-CG2 4.24Å
966K96.9Very high97.3Very high78 Ų7838.7 Ų38.734%0.33920%0.202SC..Hα-helixtrans-89.7-5.3178.1-65.7175.8-175.5174.70113.4L962 K963 C964 L1000L962-K966 WeakPolarHBondContact O-CB 3.41Å; L962-K966 WeakPolarHBondContact O-CG 3.42Å; L962-K966 PolarHBondContact O-N 3.23Å; K963-K966 PolarHBondContact O-N 2.93Å; C964-K966 PolarHBondContact O-N 3.37Å; K966-L1000 VanDerWaalsContact CE-CD2 3.49Å; K966-L1000 HydrophobicContact CG-CD2 4.31Å
967D98.4Very high97.3Very high39 Ų3936.5 Ų36.521%0.20919%0.192CC..SBendtrans-92.2147.3176.6177.9-108.6000113.3L928 K963 C964 N969 G970 N971L928-D967 HydrophobicContact CD2-CB 3.55Å; L928-D967 WeakPolarHBondContact CD2-OD1 3.48Å; K963-D967 WeakPolarHBondContact O-CB 3.39Å; K963-D967 PolarHBondContact O-N 3.28Å; C964-D967 PolarHBondContact O-N 3.15Å; D967-N969 VanDerWaalsContact C-N 3.28Å; D967-N969 PolarHBondContact O-N 3.28Å; D967-N969 WeakPolarHBondContact OD1-CA 3.38Å; D967-N969 WeakPolarHBondContact OD1-CB 3.49Å; D967-N969 PolarHBondContact OD1-N 2.85Å; D967-G970 PolarHBondContact OD1-N 3Å; D967-N971 WeakPolarHBondContact O-CB 3.19Å; D967-N971 PolarHBondContact O-N 3.17Å; D967-N971 PolarHBondContact O-ND2 2.79Å
968Q97.6Very high97.3Very high113 Ų11336.6 Ų36.653%0.52819%0.192SC..THydrogen-bonded Turntrans-65-25.5-178.564.5178.2-10.200114.3N971 H972 Y1005Q968-N971 VanDerWaalsContact C-ND2 3.26Å; Q968-N971 PolarHBondContact O-ND2 3.14Å; Q968-H972 PolarHBondContact O-CD2 3.43Å; Q968-Y1005 HydrophobicContact CB-CE2 3.98Å
969N98.2Very high97.3Very high16 Ų1635.9 Ų35.99%0.08619%0.187CC..THydrogen-bonded Turntrans-102.2-46.1177.7-60-49.8000110.6A927 L928 C933 D967 N971 H972A927-N969 CarbonylContact O-C 3.6Å; A927-N969 WeakPolarHBondContact O-CB 3.16Å; L928-N969 PolarHBondContact O-ND2 3.39Å; C933-N969 HydrophobicContact CB-CB 3.94Å; D967-N969 VanDerWaalsContact C-N 3.28Å; D967-N969 PolarHBondContact O-N 3.28Å; D967-N969 WeakPolarHBondContact OD1-CA 3.38Å; D967-N969 WeakPolarHBondContact OD1-CB 3.49Å; D967-N969 PolarHBondContact OD1-N 2.85Å; N969-N971 VanDerWaalsContact C-N 3.29Å; N969-N971 PolarHBondContact O-N 2.9Å; N969-H972 WeakPolarHBondContact O-CB 3.4Å; N969-H972 PolarHBondContact O-N 3.02Å; N969-H972 VanDerWaalsContact O-N 3.12Å
970G98.3Very high97.1Very high0 Ų035 Ų350%017%0.168CC..Hα-helixtrans-59.2-34.8-176.400000113.6A927 C964 D967 H972 V973 V974A927-G970 WeakPolarHBondContact O-CA 3.46Å; A927-G970 PolarHBondContact O-N 3.35Å; C964-G970 CarbonylContact O-C 3.07Å; C964-G970 WeakPolarHBondContact O-CA 3.31Å; D967-G970 PolarHBondContact OD1-N 3Å; G970-H972 PolarHBondContact O-N 3.04Å; G970-V973 PolarHBondContact O-N 3.19Å; G970-V974 WeakPolarHBondContact O-CG2 3.13Å; G970-V974 PolarHBondContact O-N 3.04Å
971N98.4Very high96.9Very high0 Ų031.3 Ų31.30%015%0.152CC..Hα-helixtrans-60.3-34.2179.177.195.2000112C964 D967 Q968 N969 V974 Q975 Y1005 V1009C964-N971 PolarHBondContact O-N 3.4Å; D967-N971 WeakPolarHBondContact O-CB 3.19Å; D967-N971 PolarHBondContact O-N 3.17Å; D967-N971 PolarHBondContact O-ND2 2.79Å; Q968-N971 VanDerWaalsContact C-ND2 3.26Å; Q968-N971 PolarHBondContact O-ND2 3.14Å; N969-N971 VanDerWaalsContact C-N 3.29Å; N969-N971 PolarHBondContact O-N 2.9Å; N971-V974 PolarHBondContact O-N 2.99Å; N971-Q975 VanDerWaalsContact C-NE2 3.25Å; N971-Q975 WeakPolarHBondContact O-CB 3.41Å; N971-Q975 WeakPolarHBondContact O-CG 3.42Å; N971-Q975 PolarHBondContact O-N 2.96Å; N971-Q975 PolarHBondContact O-NE2 3.46Å; N971-Q975 PolarHBondContact OD1-NE2 3.06Å; N971-Y1005 HydrophobicContact CB-CG 4.44Å; N971-V1009 HydrophobicContact CB-CG2 4.43Å
972H98.3Very high96.5Very high52 Ų5236.3 Ų36.324%0.24118%0.175CC..Hα-helixtrans-72.4-31.5177.9-68.7-66.4000112.3Q968 N969 G970 K976Q968-H972 PolarHBondContact O-CD2 3.43Å; N969-H972 WeakPolarHBondContact O-CB 3.4Å; N969-H972 PolarHBondContact O-N 3.02Å; N969-H972 VanDerWaalsContact O-N 3.12Å; G970-H972 PolarHBondContact O-N 3.04Å; H972-K976 WeakPolarHBondContact O-CB 3.35Å; H972-K976 PolarHBondContact O-N 3.09Å; H972-K976 VanDerWaalsContact O-N 3.09Å
973V97.9Very high96.2Very high1 Ų135.1 Ų35.11%0.00617%0.171CC..Hα-helixtrans-68.5-46.6171.4175.20000110.4A927 C933 I936 Q937 L940 L957 G970 Q975 K976 C977A927-V973 HydrophobicContact CB-CB 4.12Å; A927-V973 HydrophobicContact CB-CG1 4.09Å; A927-V973 HydrophobicContact CB-CG2 3.86Å; C933-V973 HydrophobicContact CB-CG2 3.96Å; I936-V973 HydrophobicContact CB-CG1 4.47Å; I936-V973 HydrophobicContact CB-CG2 4.12Å; I936-V973 HydrophobicContact CG2-CG1 3.59Å; I936-V973 HydrophobicContact CG2-CG2 4.13Å; Q937-V973 HydrophobicContact CG-CG2 4.43Å; L940-V973 HydrophobicContact CD1-CG1 4.49Å; L957-V973 HydrophobicContact CD1-CG1 3.9Å; G970-V973 PolarHBondContact O-N 3.19Å; V973-Q975 PolarHBondContact O-N 3.46Å; V973-K976 CarbonylContact O-C 3.55Å; V973-K976 WeakPolarHBondContact O-CA 3.2Å; V973-K976 PolarHBondContact O-N 3.14Å; V973-C977 PolarHBondContact O-N 3.43Å; V973-C977 PolarHBondContact O-SG 3.05Å
974V98Very high95.9Very high4 Ų435.8 Ų35.82%0.02418%0.176CC..Hα-helixtrans-63.3-42.1179.3-177.80000111.6C964 V965 G970 N971 K976 C977 I978 I989 V1009C964-V974 HydrophobicContact CB-CG2 3.62Å; V965-V974 HydrophobicContact CG2-CB 4.33Å; V965-V974 HydrophobicContact CG2-CG1 3.98Å; V965-V974 HydrophobicContact CG2-CG2 4.17Å; G970-V974 WeakPolarHBondContact O-CG2 3.13Å; G970-V974 PolarHBondContact O-N 3.04Å; N971-V974 PolarHBondContact O-N 2.99Å; V974-K976 VanDerWaalsContact C-N 3.31Å; V974-K976 PolarHBondContact O-N 3.39Å; V974-C977 WeakPolarHBondContact O-CB 3.14Å; V974-C977 PolarHBondContact O-N 2.81Å; V974-I978 HydrophobicContact CG1-CD1 4.11Å; V974-I978 WeakPolarHBondContact O-CD1 3.03Å; V974-I978 WeakPolarHBondContact O-CG1 3.48Å; V974-I978 PolarHBondContact O-N 2.87Å; V974-I978 VanDerWaalsContact O-N 3.14Å; V974-I989 HydrophobicContact CG1-CD1 4.37Å; V974-I989 HydrophobicContact CG1-CG2 4.11Å; V974-V1009 HydrophobicContact CB-CG1 4.49Å; V974-V1009 HydrophobicContact CG1-CG1 3.65Å
975Q98.1Very high95.5Very high13 Ų1337.4 Ų37.46%0.06119%0.189CC..Hα-helixtrans-55.5-45.8170.3-78.1162.295.900111.2N971 V973 C977 I978 E979 V1009 R1012N971-Q975 VanDerWaalsContact C-NE2 3.25Å; N971-Q975 WeakPolarHBondContact O-CB 3.41Å; N971-Q975 WeakPolarHBondContact O-CG 3.42Å; N971-Q975 PolarHBondContact O-N 2.96Å; N971-Q975 PolarHBondContact O-NE2 3.46Å; N971-Q975 PolarHBondContact OD1-NE2 3.06Å; V973-Q975 PolarHBondContact O-N 3.46Å; Q975-C977 PolarHBondContact O-N 3.32Å; Q975-I978 PolarHBondContact O-N 3.04Å; Q975-I978 VanDerWaalsContact O-N 3.11Å; Q975-E979 WeakPolarHBondContact O-CG 3.44Å; Q975-E979 PolarHBondContact O-N 3.16Å; Q975-V1009 HydrophobicContact CG-CG2 4.15Å; Q975-R1012 HydrophobicContact CB-CG 3.92Å; Q975-R1012 HydrophobicContact CG-CG 3.69Å
976K96.6Very high95.3Very high30 Ų3037.5 Ų37.513%0.1319%0.19CC..Hα-helixtrans-68.8-31.5-180-16858.860173.50113.8Q937 L940 E941 H972 V973 V974 I978 E979 C980Q937-K976 HydrophobicContact CB-CG 4.24Å; Q937-K976 HydrophobicContact CG-CB 3.94Å; Q937-K976 HydrophobicContact CG-CG 4.16Å; L940-K976 HydrophobicContact CB-CG 4.1Å; L940-K976 HydrophobicContact CD1-CB 4.22Å; L940-K976 HydrophobicContact CD1-CG 4.09Å; E941-K976 HydrophobicContact CG-CD 3.8Å; E941-K976 HydrophobicContact CG-CG 4.47Å; E941-K976 WeakPolarHBondContact OE1-CE 3.49Å; E941-K976 IonicContact OE1-NZ 3.14Å; E941-K976 PolarHBondContact OE1-NZ 3.36Å; H972-K976 WeakPolarHBondContact O-CB 3.35Å; H972-K976 PolarHBondContact O-N 3.09Å; H972-K976 VanDerWaalsContact O-N 3.09Å; V973-K976 CarbonylContact O-C 3.55Å; V973-K976 WeakPolarHBondContact O-CA 3.2Å; V973-K976 PolarHBondContact O-N 3.14Å; V974-K976 VanDerWaalsContact C-N 3.31Å; V974-K976 PolarHBondContact O-N 3.39Å; K976-I978 VanDerWaalsContact C-N 3.3Å; K976-E979 HydrophobicContact CD-CB 4.43Å; K976-E979 WeakPolarHBondContact CE-OE2 3.34Å; K976-E979 IonicContact NZ-OE2 3.23Å; K976-E979 PolarHBondContact NZ-OE2 3.2Å; K976-E979 PolarHBondContact O-N 2.66Å; K976-C980 WeakPolarHBondContact CD-SG 3.26Å; K976-C980 WeakPolarHBondContact O-CB 3.47Å; K976-C980 PolarHBondContact O-N 2.73Å; K976-C980 VanDerWaalsContact O-N 3.1Å
977C95.6Very high95.2Very high1 Ų137.2 Ų37.21%0.00719%0.19CC..Hα-helixtrans-59.5-44.6168.7-61.90000110.5V954 V973 V974 Q975 V981 L986 I989V954-C977 HydrophobicContact CG1-CB 4.48Å; V954-C977 HydrophobicContact CG2-CB 4.46Å; V973-C977 PolarHBondContact O-N 3.43Å; V973-C977 PolarHBondContact O-SG 3.05Å; V974-C977 WeakPolarHBondContact O-CB 3.14Å; V974-C977 PolarHBondContact O-N 2.81Å; Q975-C977 PolarHBondContact O-N 3.32Å; C977-V981 WeakPolarHBondContact O-CB 3.45Å; C977-V981 WeakPolarHBondContact O-CG2 3.4Å; C977-V981 PolarHBondContact O-N 3.4Å; C977-V981 VanDerWaalsContact O-N 3.15Å; C977-L986 HydrophobicContact CB-CD2 4.21Å; C977-I989 HydrophobicContact CB-CD1 4.36Å
978I95.7Very high95.1Very high5 Ų536.8 Ų36.83%0.02619%0.186CC..Hα-helixtrans-70.3-35.8-179.9-61.5155.6000112.3V974 Q975 K976 L986 V1009 R1012 I1013 H1016V974-I978 HydrophobicContact CG1-CD1 4.11Å; V974-I978 WeakPolarHBondContact O-CD1 3.03Å; V974-I978 WeakPolarHBondContact O-CG1 3.48Å; V974-I978 PolarHBondContact O-N 2.87Å; V974-I978 VanDerWaalsContact O-N 3.14Å; Q975-I978 PolarHBondContact O-N 3.04Å; Q975-I978 VanDerWaalsContact O-N 3.11Å; K976-I978 VanDerWaalsContact C-N 3.3Å; I978-L986 HydrophobicContact CB-CD1 4.41Å; I978-L986 HydrophobicContact CG1-CD1 4.25Å; I978-V1009 HydrophobicContact CD1-CG1 3.59Å; I978-R1012 HydrophobicContact CB-CB 4.09Å; I978-R1012 HydrophobicContact CD1-CB 4.14Å; I978-R1012 HydrophobicContact CG2-CB 3.76Å; I978-R1012 VanDerWaalsContact CG2-O 3.26Å; I978-R1012 WeakPolarHBondContact CG2-O 3.37Å; I978-I1013 HydrophobicContact CD1-CG1 3.79Å; I978-H1016 HydrophobicContact CG2-CB 3.77Å; I978-H1016 WeakPolarHBondContact O-CB 3.48Å
979E94.9Very high95Very high68 Ų6831.5 Ų31.532%0.31816%0.162SC..Hα-helixtrans-71-30.6177.4-71.8166.5-150.700114.1Q975 K976Q975-E979 WeakPolarHBondContact O-CG 3.44Å; Q975-E979 PolarHBondContact O-N 3.16Å; K976-E979 HydrophobicContact CD-CB 4.43Å; K976-E979 WeakPolarHBondContact CE-OE2 3.34Å; K976-E979 IonicContact NZ-OE2 3.23Å; K976-E979 PolarHBondContact NZ-OE2 3.2Å; K976-E979 PolarHBondContact O-N 2.66Å
980C92.1Very high94.9Very high49 Ų4930.8 Ų30.833%0.33116%0.158SC..Hα-helixtrans-120.8-1-165.4-64.70000116K976K976-C980 WeakPolarHBondContact CD-SG 3.26Å; K976-C980 WeakPolarHBondContact O-CB 3.47Å; K976-C980 PolarHBondContact O-N 2.73Å; K976-C980 VanDerWaalsContact O-N 3.1Å
981V91.1Very high94.7Very high9 Ų934.3 Ų34.36%0.05518%0.176CC..SBendtrans-126.8142-170.9-171.40000110.6L940 I950 V954 C977 A985 L986L940-V981 HydrophobicContact CD2-CG2 4.35Å; I950-V981 HydrophobicContact CG2-CB 4.25Å; I950-V981 HydrophobicContact CG2-CG1 3.78Å; I950-V981 HydrophobicContact CG2-CG2 3.51Å; V954-V981 HydrophobicContact CG2-CG2 4.1Å; C977-V981 WeakPolarHBondContact O-CB 3.45Å; C977-V981 WeakPolarHBondContact O-CG2 3.4Å; C977-V981 PolarHBondContact O-N 3.4Å; C977-V981 VanDerWaalsContact O-N 3.15Å; V981-A985 HydrophobicContact CG1-CB 4.16Å; V981-L986 HydrophobicContact CB-CD1 4.48Å; V981-L986 HydrophobicContact CB-CD2 4.06Å; V981-L986 HydrophobicContact CB-CG 4.45Å; V981-L986 HydrophobicContact CG1-CD2 4.13Å
982Q89.7Confident94.6Very high109 Ų10935.8 Ų35.851%0.50919%0.189SC..  trans-56.2127.1-179.3-70-177.654.600111.1Q984 A985Q982-Q984 PolarHBondContact O-N 2.98Å; Q982-A985 PolarHBondContact O-N 2.69Å
983P91.4Very high94.4Very high30 Ų3033.3 Ų33.320%0.19518%0.177CC..G310 helixtrans-55.9-27.9-170.5-29.535.7000115.4A985 L986 H1016 T1018 Q1021P983-A985 PolarHBondContact O-N 2.83Å; P983-L986 WeakPolarHBondContact O-CB 3.48Å; P983-L986 PolarHBondContact O-N 3.16Å; P983-H1016 WeakPolarHBondContact CG-O 3.49Å; P983-T1018 HydrophobicContact CB-CG2 3.97Å; P983-Q1021 VanDerWaalsContact CB-OE1 3.25Å; P983-Q1021 PolarHBondContact O-NE2 2.99Å
984Q90.2Very high94Very high134 Ų13438.6 Ų38.663%0.62620%0.202SC*.G310 helixtrans-59.8-32.6176.1-62.579.23.300112.6Q982 L986Q982-Q984 PolarHBondContact O-N 2.98Å; Q984-L986 VanDerWaalsContact C-N 3.27Å; Q984-L986 PolarHBondContact O-N 3.32Å
985A90.6Very high93.5Very high35 Ų3540.7 Ų40.729%0.28923%0.225SC..G310 helixtrans-80.7-5.9176.400000113.3V981 Q982 P983 F988V981-A985 HydrophobicContact CG1-CB 4.16Å; Q982-A985 PolarHBondContact O-N 2.69Å; P983-A985 PolarHBondContact O-N 2.83Å; A985-F988 WeakPolarHBondContact O-CE1 3.39Å
986L94.1Very high93.1Very high1 Ų142.9 Ų42.91%0.00524%0.235CC..G310 helixtrans-104.24.8-175.4-56.3-179.4000113.5V954 C977 I978 V981 P983 Q984 F988 I989 I990V954-L986 HydrophobicContact CG1-CD2 3.9Å; C977-L986 HydrophobicContact CB-CD2 4.21Å; I978-L986 HydrophobicContact CB-CD1 4.41Å; I978-L986 HydrophobicContact CG1-CD1 4.25Å; V981-L986 HydrophobicContact CB-CD1 4.48Å; V981-L986 HydrophobicContact CB-CD2 4.06Å; V981-L986 HydrophobicContact CB-CG 4.45Å; V981-L986 HydrophobicContact CG1-CD2 4.13Å; P983-L986 WeakPolarHBondContact O-CB 3.48Å; P983-L986 PolarHBondContact O-N 3.16Å; Q984-L986 VanDerWaalsContact C-N 3.27Å; Q984-L986 PolarHBondContact O-N 3.32Å; L986-F988 VanDerWaalsContact C-N 3.27Å; L986-F988 PolarHBondContact O-N 3.4Å; L986-I989 HydrophobicContact CB-CD1 4.32Å; L986-I989 HydrophobicContact CD2-CD1 3.84Å; L986-I989 WeakPolarHBondContact O-CA 3.46Å; L986-I989 VanDerWaalsContact O-CB 3.26Å; L986-I989 WeakPolarHBondContact O-CB 3.4Å; L986-I989 PolarHBondContact O-N 2.88Å; L986-I990 PolarHBondContact O-N 3.45Å
987Q94.8Very high92.9Very high73 Ų7341.4 Ų41.434%0.34123%0.229SC..Hα-helixtrans-54.9-41.1-174-172.356.340.300113I989 I990 D991 Q1021Q987-I989 PolarHBondContact O-N 3.46Å; Q987-I989 VanDerWaalsContact O-N 3.12Å; Q987-I990 WeakPolarHBondContact O-CA 3.27Å; Q987-I990 WeakPolarHBondContact O-CB 3.35Å; Q987-I990 PolarHBondContact O-N 3.05Å; Q987-D991 PolarHBondContact NE2-OD1 3.19Å; Q987-D991 VanDerWaalsContact O-CG 3.24Å; Q987-D991 PolarHBondContact O-N 3.19Å; Q987-Q1021 VanDerWaalsContact OE1-CG 3.31Å
988F95.6Very high92.5Very high29 Ų2942.7 Ų42.713%0.12723%0.234CC..Hα-helixtrans-59.3-24.4176.377-81.8000114V954 L957 D958 V961 A985 L986 A992V954-F988 HydrophobicContact CG1-CE1 3.8Å; V954-F988 HydrophobicContact CG1-CZ 3.7Å; V954-F988 WeakPolarHBondContact O-CZ 3.29Å; L957-F988 HydrophobicContact CB-CE2 4.43Å; D958-F988 HydrophobicContact CB-CD2 3.7Å; D958-F988 HydrophobicContact CB-CE2 3.94Å; D958-F988 HydrophobicContact CB-CG 4.29Å; D958-F988 WeakPolarHBondContact OD1-CD2 3.32Å; V961-F988 HydrophobicContact CG2-CD2 3.59Å; V961-F988 HydrophobicContact CG2-CE2 3.49Å; V961-F988 VanDerWaalsContact CG2-CE2 3.49Å; A985-F988 WeakPolarHBondContact O-CE1 3.39Å; L986-F988 VanDerWaalsContact C-N 3.27Å; L986-F988 PolarHBondContact O-N 3.4Å; F988-A992 VanDerWaalsContact O-CB 3.23Å; F988-A992 WeakPolarHBondContact O-CB 3.18Å; F988-A992 PolarHBondContact O-N 2.91Å; F988-A992 VanDerWaalsContact O-N 3.1Å
989I96.1Very high92.3Very high3 Ų345.8 Ų45.82%0.01525%0.253CS..Hα-helixtrans-72.4-42.1172.7-53.9-176.2000110V961 V974 C977 L986 Q987 F993V961-I989 HydrophobicContact CG1-CB 4.4Å; V961-I989 HydrophobicContact CG1-CG2 3.87Å; V961-I989 HydrophobicContact CG2-CG1 4.21Å; V974-I989 HydrophobicContact CG1-CD1 4.37Å; V974-I989 HydrophobicContact CG1-CG2 4.11Å; C977-I989 HydrophobicContact CB-CD1 4.36Å; L986-I989 HydrophobicContact CB-CD1 4.32Å; L986-I989 HydrophobicContact CD2-CD1 3.84Å; L986-I989 WeakPolarHBondContact O-CA 3.46Å; L986-I989 VanDerWaalsContact O-CB 3.26Å; L986-I989 WeakPolarHBondContact O-CB 3.4Å; L986-I989 PolarHBondContact O-N 2.88Å; Q987-I989 PolarHBondContact O-N 3.46Å; Q987-I989 VanDerWaalsContact O-N 3.12Å; I989-F993 HydrophobicContact CG2-CD2 4.49Å; I989-F993 HydrophobicContact CG2-CE2 4.07Å; I989-F993 WeakPolarHBondContact O-CD2 3.22Å; I989-F993 PolarHBondContact O-N 3.29Å
990I95.3Very high92.2Very high1 Ų142.6 Ų42.61%0.00524%0.238CC..Hα-helixtrans-66.8-44.3177.3-48.1-57.9000110.2L986 Q987 A992 F993 I1013 C1017 Q1021 I1025L986-I990 PolarHBondContact O-N 3.45Å; Q987-I990 WeakPolarHBondContact O-CA 3.27Å; Q987-I990 WeakPolarHBondContact O-CB 3.35Å; Q987-I990 PolarHBondContact O-N 3.05Å; I990-A992 VanDerWaalsContact C-N 3.34Å; I990-A992 PolarHBondContact O-N 2.83Å; I990-F993 WeakPolarHBondContact O-CB 3.21Å; I990-F993 PolarHBondContact O-N 2.92Å; I990-I1013 HydrophobicContact CD1-CD1 4.09Å; I990-I1013 HydrophobicContact CD1-CG1 4.04Å; I990-I1013 HydrophobicContact CD1-CG2 3.68Å; I990-C1017 HydrophobicContact CD1-CB 4.43Å; I990-Q1021 HydrophobicContact CD1-CB 4.32Å; I990-Q1021 HydrophobicContact CG1-CB 4.07Å; I990-Q1021 HydrophobicContact CG1-CG 4.08Å; I990-Q1021 HydrophobicContact CG2-CB 4.41Å; I990-Q1021 WeakPolarHBondContact CG2-O 3.21Å; I990-I1025 HydrophobicContact CG2-CD1 4.3Å; I990-I1025 HydrophobicContact CG2-CG1 4.32Å
991D95.1Very high92.3Very high73 Ų7340.2 Ų40.239%0.3922%0.222SC..Hα-helixtrans-62.8-40.8179-58.1-25.4000111.4Q987 F993 Q994Q987-D991 PolarHBondContact NE2-OD1 3.19Å; Q987-D991 VanDerWaalsContact O-CG 3.24Å; Q987-D991 PolarHBondContact O-N 3.19Å; D991-F993 PolarHBondContact O-N 2.93Å; D991-F993 VanDerWaalsContact O-N 3.16Å; D991-Q994 WeakPolarHBondContact O-CB 3.39Å; D991-Q994 PolarHBondContact O-N 3.36Å; D991-Q994 PolarHBondContact OD1-NE2 3.35Å
992A95.6Very high92.4Very high32 Ų3241.7 Ų41.726%0.26423%0.231SC..THydrogen-bonded Turntrans-67.5-9.6175.200000114.5V961 L962 F988 I990V961-A992 HydrophobicContact CB-CB 3.77Å; V961-A992 HydrophobicContact CG1-CB 3.98Å; V961-A992 HydrophobicContact CG2-CB 4.14Å; L962-A992 WeakPolarHBondContact CD2-O 3.49Å; L962-A992 WeakPolarHBondContact CG-O 3.39Å; F988-A992 VanDerWaalsContact O-CB 3.23Å; F988-A992 WeakPolarHBondContact O-CB 3.18Å; F988-A992 PolarHBondContact O-N 2.91Å; F988-A992 VanDerWaalsContact O-N 3.1Å; I990-A992 VanDerWaalsContact C-N 3.34Å; I990-A992 PolarHBondContact O-N 2.83Å
993F94.1Very high92.6Very high0 Ų038.7 Ų38.70%022%0.217CC..THydrogen-bonded Turntrans-94.8-15.4176.2-86.1-131.4000113.2V961 V965 I989 I990 D991 G995 Q996 V997 L1000 V1009 I1010 I1013 I1025V961-F993 HydrophobicContact CG1-CD2 4.3Å; V961-F993 HydrophobicContact CG1-CE2 3.85Å; V965-F993 HydrophobicContact CG1-CZ 3.97Å; V965-F993 HydrophobicContact CG2-CE2 3.75Å; V965-F993 HydrophobicContact CG2-CZ 3.77Å; I989-F993 HydrophobicContact CG2-CD2 4.49Å; I989-F993 HydrophobicContact CG2-CE2 4.07Å; I989-F993 WeakPolarHBondContact O-CD2 3.22Å; I989-F993 PolarHBondContact O-N 3.29Å; I990-F993 WeakPolarHBondContact O-CB 3.21Å; I990-F993 PolarHBondContact O-N 2.92Å; D991-F993 PolarHBondContact O-N 2.93Å; D991-F993 VanDerWaalsContact O-N 3.16Å; F993-G995 PolarHBondContact O-N 2.72Å; F993-Q996 WeakPolarHBondContact O-CA 3.44Å; F993-Q996 WeakPolarHBondContact O-CB 3.39Å; F993-Q996 PolarHBondContact O-N 3.07Å; F993-V997 PolarHBondContact O-N 3.45Å; F993-L1000 HydrophobicContact CB-CD1 4.41Å; F993-L1000 HydrophobicContact CD1-CD1 3.48Å; F993-L1000 VanDerWaalsContact CD1-CD1 3.48Å; F993-L1000 HydrophobicContact CD2-CD1 3.97Å; F993-L1000 HydrophobicContact CE1-CD1 3.57Å; F993-L1000 HydrophobicContact CE2-CD1 4.09Å; F993-L1000 HydrophobicContact CG-CD1 3.68Å; F993-L1000 HydrophobicContact CZ-CD1 3.88Å; F993-V1009 HydrophobicContact CE1-CB 4.37Å; F993-V1009 HydrophobicContact CE1-CG1 4.17Å; F993-V1009 HydrophobicContact CE2-CG1 4.41Å; F993-V1009 HydrophobicContact CZ-CB 3.97Å; F993-V1009 HydrophobicContact CZ-CG1 3.51Å; F993-I1010 HydrophobicContact CD1-CD1 3.45Å; F993-I1010 VanDerWaalsContact CD1-CD1 3.45Å; F993-I1010 HydrophobicContact CD1-CG1 4.47Å; F993-I1010 HydrophobicContact CE1-CD1 3.54Å; F993-I1010 HydrophobicContact CE1-CG1 4.09Å; F993-I1013 HydrophobicContact CD1-CD1 3.74Å; F993-I1013 HydrophobicContact CE1-CD1 3.58Å; F993-I1013 HydrophobicContact CE2-CD1 4.41Å; F993-I1013 HydrophobicContact CG-CD1 4.26Å; F993-I1013 HydrophobicContact CZ-CD1 3.96Å; F993-I1025 HydrophobicContact CB-CD1 3.77Å
994Q89.3Confident92.8Very high111 Ų11139.1 Ų39.152%0.51922%0.22SC..THydrogen-bonded Turntrans-61.2132.7-179.9-60.7179.619.500111D991 Q996D991-Q994 WeakPolarHBondContact O-CB 3.39Å; D991-Q994 PolarHBondContact O-N 3.36Å; D991-Q994 PolarHBondContact OD1-NE2 3.35Å; Q994-Q996 PolarHBondContact O-N 3.01Å
995G87.2Confident93.1Very high49 Ų4936.3 Ų36.351%0.50520%0.204SC..THydrogen-bonded Turntrans67.812.8-173.500000114.5F993 E1028F993-G995 PolarHBondContact O-N 2.72Å; G995-E1028 VanDerWaalsContact CA-OE1 3.24Å; G995-E1028 WeakPolarHBondContact CA-OE1 3.31Å; G995-E1028 PolarHBondContact N-OE1 2.97Å; G995-E1028 PolarHBondContact N-OE2 2.78Å
996Q90.2Very high93.5Very high58 Ų5834.6 Ų34.627%0.27119%0.19SC..THydrogen-bonded Turntrans-128.2-3.8178.6-64.3-67.2-74.300113.6L962 F993 Q994 F998 V999 L1000 E1028L962-Q996 HydrophobicContact CD1-CG 4.14Å; L962-Q996 HydrophobicContact CD2-CB 4.46Å; L962-Q996 HydrophobicContact CD2-CG 4.3Å; F993-Q996 WeakPolarHBondContact O-CA 3.44Å; F993-Q996 WeakPolarHBondContact O-CB 3.39Å; F993-Q996 PolarHBondContact O-N 3.07Å; Q994-Q996 PolarHBondContact O-N 3.01Å; Q996-F998 VanDerWaalsContact C-N 3.35Å; Q996-F998 PolarHBondContact O-N 3.39Å; Q996-V999 PolarHBondContact O-N 3.34Å; Q996-V999 VanDerWaalsContact O-N 3.09Å; Q996-L1000 HydrophobicContact CB-CD1 3.86Å; Q996-L1000 HydrophobicContact CB-CG 4.14Å; Q996-L1000 WeakPolarHBondContact O-CG 3.44Å; Q996-L1000 PolarHBondContact O-N 2.86Å; Q996-E1028 PolarHBondContact N-OE1 2.67Å
997V91.7Very high93.6Very high0 Ų034.9 Ų34.90%019%0.192CC..Hα-helixtrans-59.5-42-168.1172.50000112.4F993 L1000 S1001 I1010 I1025 E1028 L1029F993-V997 PolarHBondContact O-N 3.45Å; V997-L1000 PolarHBondContact O-N 3.16Å; V997-S1001 VanDerWaalsContact O-CB 3.23Å; V997-S1001 WeakPolarHBondContact O-CB 3.45Å; V997-S1001 PolarHBondContact O-N 3.01Å; V997-S1001 PolarHBondContact O-OG 3.29Å; V997-I1010 HydrophobicContact CG1-CD1 4.2Å; V997-I1025 HydrophobicContact CG1-CG2 4.02Å; V997-I1025 HydrophobicContact CG2-CD1 3.72Å; V997-I1025 HydrophobicContact CG2-CG2 4.1Å; V997-E1028 HydrophobicContact CB-CB 4.12Å; V997-E1028 HydrophobicContact CB-CG 3.86Å; V997-E1028 WeakPolarHBondContact CB-OE1 3.33Å; V997-E1028 HydrophobicContact CG2-CB 4.04Å; V997-E1028 VanDerWaalsContact CG2-CD 3.48Å; V997-E1028 HydrophobicContact CG2-CG 4.08Å; V997-E1028 WeakPolarHBondContact CG2-OE2 3.45Å; V997-E1028 PolarHBondContact N-OE1 3.27Å; V997-L1029 HydrophobicContact CG1-CB 4.04Å
998F88.4Confident93.7Very high28 Ų2836.9 Ų36.912%0.12320%0.196CC..Hα-helixtrans-62.2-50.2175.7179.7-86.3000111.6Q996 L1000 S1001 T1002 H1032 L1036 V1055 A1059 L1060Q996-F998 VanDerWaalsContact C-N 3.35Å; Q996-F998 PolarHBondContact O-N 3.39Å; F998-L1000 VanDerWaalsContact C-N 3.26Å; F998-L1000 PolarHBondContact O-N 2.7Å; F998-S1001 PolarHBondContact O-N 3.19Å; F998-T1002 HydrophobicContact CE1-CG2 4.18Å; F998-T1002 HydrophobicContact CZ-CG2 4.24Å; F998-T1002 PolarHBondContact O-N 2.88Å; F998-T1002 PolarHBondContact O-OG1 2.69Å; F998-T1002 VanDerWaalsContact O-OG1 3.13Å; F998-H1032 HydrophobicContact CB-CB 3.81Å; F998-H1032 VanDerWaalsContact CB-CD2 3.48Å; F998-H1032 WeakPolarHBondContact CB-CD2 3.24Å; F998-H1032 HydrophobicContact CD2-CB 3.79Å; F998-H1032 HydrophobicContact CG-CB 4.08Å; F998-L1036 HydrophobicContact CD1-CD1 3.6Å; F998-L1036 HydrophobicContact CD2-CD1 4.27Å; F998-L1036 HydrophobicContact CE1-CD1 3.71Å; F998-L1036 HydrophobicContact CE2-CD1 4.35Å; F998-L1036 HydrophobicContact CG-CD1 3.92Å; F998-L1036 HydrophobicContact CZ-CD1 4.09Å; F998-V1055 HydrophobicContact CE2-CG1 4.04Å; F998-V1055 HydrophobicContact CZ-CG1 3.78Å; F998-A1059 HydrophobicContact CE2-CB 4Å; F998-A1059 HydrophobicContact CZ-CB 4.04Å; F998-L1060 HydrophobicContact CD2-CD1 4.24Å; F998-L1060 HydrophobicContact CD2-CD2 3.76Å; F998-L1060 HydrophobicContact CD2-CG 3.92Å; F998-L1060 HydrophobicContact CE2-CD2 3.81Å; F998-L1060 HydrophobicContact CE2-CG 3.9Å
999V90.6Very high93.8Very high70 Ų7035.5 Ų35.542%0.42419%0.19SC..Hα-helixtrans-62.3-35-178.1-179.70000111.6Q996 T1002 H1003Q996-V999 PolarHBondContact O-N 3.34Å; Q996-V999 VanDerWaalsContact O-N 3.09Å; V999-T1002 PolarHBondContact O-OG1 3.09Å; V999-H1003 WeakPolarHBondContact O-CB 3.21Å; V999-H1003 PolarHBondContact O-N 2.87Å
1000L93.8Very high93.9Very high0 Ų035.3 Ų35.30%019%0.189CC..Hα-helixtrans-78-37.7176.3-65.5175.3000112L962 V965 K966 F993 Q996 V997 F998 T1002 H1003 G1006 C1007 I1010L962-L1000 HydrophobicContact CD2-CD1 3.81Å; L962-L1000 HydrophobicContact CD2-CD2 4.27Å; V965-L1000 HydrophobicContact CG1-CD2 3.8Å; K966-L1000 VanDerWaalsContact CE-CD2 3.49Å; K966-L1000 HydrophobicContact CG-CD2 4.31Å; F993-L1000 HydrophobicContact CB-CD1 4.41Å; F993-L1000 HydrophobicContact CD1-CD1 3.48Å; F993-L1000 VanDerWaalsContact CD1-CD1 3.48Å; F993-L1000 HydrophobicContact CD2-CD1 3.97Å; F993-L1000 HydrophobicContact CE1-CD1 3.57Å; F993-L1000 HydrophobicContact CE2-CD1 4.09Å; F993-L1000 HydrophobicContact CG-CD1 3.68Å; F993-L1000 HydrophobicContact CZ-CD1 3.88Å; Q996-L1000 HydrophobicContact CB-CD1 3.86Å; Q996-L1000 HydrophobicContact CB-CG 4.14Å; Q996-L1000 WeakPolarHBondContact O-CG 3.44Å; Q996-L1000 PolarHBondContact O-N 2.86Å; V997-L1000 PolarHBondContact O-N 3.16Å; F998-L1000 VanDerWaalsContact C-N 3.26Å; F998-L1000 PolarHBondContact O-N 2.7Å; L1000-T1002 VanDerWaalsContact C-N 3.27Å; L1000-T1002 PolarHBondContact O-N 2.88Å; L1000-H1003 WeakPolarHBondContact O-CB 3.37Å; L1000-H1003 PolarHBondContact O-N 3.46Å; L1000-G1006 CarbonylContact O-C 3.38Å; L1000-G1006 VanDerWaalsContact O-CA 3.28Å; L1000-G1006 WeakPolarHBondContact O-CA 3.36Å; L1000-C1007 PolarHBondContact O-N 3.3Å; L1000-I1010 HydrophobicContact CB-CD1 4.35Å; L1000-I1010 HydrophobicContact CB-CG1 4.36Å
1001S93.8Very high94Very high0 Ų036.9 Ų36.90%020%0.197CC..Hα-helixtrans-63.4-32.3175-62.40000112.5V997 F998 H1003 C1007 Y1065 G1066V997-S1001 VanDerWaalsContact O-CB 3.23Å; V997-S1001 WeakPolarHBondContact O-CB 3.45Å; V997-S1001 PolarHBondContact O-N 3.01Å; V997-S1001 PolarHBondContact O-OG 3.29Å; F998-S1001 PolarHBondContact O-N 3.19Å; S1001-H1003 VanDerWaalsContact C-N 3.34Å; S1001-C1007 VanDerWaalsContact O-CB 3.31Å; S1001-C1007 WeakPolarHBondContact O-CB 3.17Å; S1001-Y1065 CarbonylContact O-C 3.42Å; S1001-G1066 WeakPolarHBondContact O-CA 3.17Å; S1001-G1066 PolarHBondContact O-N 2.84Å
1002T91.9Very high94.1Very high39 Ų3935.9 Ų35.924%0.23919%0.187CC..THydrogen-bonded Turntrans-88.48.8172.260.20000113.9F998 V999 L1000 L1060 D1063 Y1065F998-T1002 HydrophobicContact CE1-CG2 4.18Å; F998-T1002 HydrophobicContact CZ-CG2 4.24Å; F998-T1002 PolarHBondContact O-N 2.88Å; F998-T1002 PolarHBondContact O-OG1 2.69Å; F998-T1002 VanDerWaalsContact O-OG1 3.13Å; V999-T1002 PolarHBondContact O-OG1 3.09Å; L1000-T1002 VanDerWaalsContact C-N 3.27Å; L1000-T1002 PolarHBondContact O-N 2.88Å; T1002-L1060 HydrophobicContact CG2-CD2 3.73Å; T1002-D1063 WeakPolarHBondContact CA-OD1 3.23Å; T1002-D1063 HydrophobicContact CG2-CB 4.02Å; T1002-Y1065 WeakPolarHBondContact O-CD2 3.43Å
1003H94.1Very high94.1Very high46 Ų4634.3 Ų34.321%0.21318%0.175CC..SBendtrans-99.9134178.8-167.9-103.2000111.2V999 L1000 S1001 Y1005 G1006 C1007V999-H1003 WeakPolarHBondContact O-CB 3.21Å; V999-H1003 PolarHBondContact O-N 2.87Å; L1000-H1003 WeakPolarHBondContact O-CB 3.37Å; L1000-H1003 PolarHBondContact O-N 3.46Å; S1001-H1003 VanDerWaalsContact C-N 3.34Å; H1003-Y1005 AromaticContact CE1-CD2 3.71Å; H1003-Y1005 PolarHBondContact ND1-N 2.95Å; H1003-Y1005 PolarHBondContact O-N 2.92Å; H1003-G1006 PolarHBondContact ND1-N 3.17Å; H1003-G1006 PolarHBondContact O-N 3.28Å; H1003-C1007 PolarHBondContact O-N 2.93Å; H1003-C1007 PolarHBondContact O-SG 3.27Å
1004P95.4Very high94.2Very high40 Ų4035.8 Ų35.826%0.2618%0.182SC..THydrogen-bonded Turntrans-54.6-27.5-176.817.7-32.5000115.1Y1065P1004-Y1065 HydrophobicContact CB-CD1 4.42Å; P1004-Y1065 HydrophobicContact CB-CD2 4.36Å; P1004-Y1065 HydrophobicContact CB-CE1 3.91Å; P1004-Y1065 HydrophobicContact CB-CE2 3.83Å; P1004-Y1065 HydrophobicContact CG-CE2 4.18Å
1005Y97.9Very high94.4Very high74 Ų7434.3 Ų34.329%0.2918%0.175SC..THydrogen-bonded Turntrans-105.3-29.6176.3-47.6-33.9000112.4V965 Q968 N971 H1003 R1008V965-Y1005 WeakPolarHBondContact O-CB 3.49Å; Q968-Y1005 HydrophobicContact CB-CE2 3.98Å; N971-Y1005 HydrophobicContact CB-CG 4.44Å; H1003-Y1005 AromaticContact CE1-CD2 3.71Å; H1003-Y1005 PolarHBondContact ND1-N 2.95Å; H1003-Y1005 PolarHBondContact O-N 2.92Å; Y1005-R1008 PolarHBondContact O-N 2.94Å
1006G97.6Very high94.8Very high0 Ų035.8 Ų35.80%017%0.169CC..Hα-helixtrans-69.9-38.1-17600000111.9L1000 H1003 R1008 V1009 I1010L1000-G1006 CarbonylContact O-C 3.38Å; L1000-G1006 VanDerWaalsContact O-CA 3.28Å; L1000-G1006 WeakPolarHBondContact O-CA 3.36Å; H1003-G1006 PolarHBondContact ND1-N 3.17Å; H1003-G1006 PolarHBondContact O-N 3.28Å; G1006-R1008 PolarHBondContact O-N 3.27Å; G1006-R1008 VanDerWaalsContact O-N 3.14Å; G1006-V1009 PolarHBondContact O-N 2.87Å; G1006-I1010 WeakPolarHBondContact O-CG1 3.38Å; G1006-I1010 PolarHBondContact O-N 3.43Å
1007C96.6Very high95Very high6 Ų633.8 Ų33.84%0.04116%0.162CC..Hα-helixtrans-58.4-30.6178.869.20000112.5L1000 S1001 H1003 Q1011 V1069L1000-C1007 PolarHBondContact O-N 3.3Å; S1001-C1007 VanDerWaalsContact O-CB 3.31Å; S1001-C1007 WeakPolarHBondContact O-CB 3.17Å; H1003-C1007 PolarHBondContact O-N 2.93Å; H1003-C1007 PolarHBondContact O-SG 3.27Å; C1007-Q1011 WeakPolarHBondContact O-CG 3.26Å; C1007-Q1011 PolarHBondContact O-N 3.05Å; C1007-Q1011 VanDerWaalsContact O-N 3.11Å; C1007-Q1011 PolarHBondContact O-NE2 3.33Å; C1007-V1069 HydrophobicContact CB-CG2 3.79Å
1008R98Very high95.1Very high115 Ų11535.8 Ų35.843%0.43417%0.173SC..Hα-helixtrans-75.6-36.2177.5-59.3-178.6175.2179.2-4.2112.3Y1005 G1006 Q1011 R1012Y1005-R1008 PolarHBondContact O-N 2.94Å; G1006-R1008 PolarHBondContact O-N 3.27Å; G1006-R1008 VanDerWaalsContact O-N 3.14Å; R1008-Q1011 PolarHBondContact O-N 3.47Å; R1008-R1012 PolarHBondContact O-N 2.87Å
1009V98Very high95.2Very high0 Ų040 Ų400%019%0.194CC..Hα-helixtrans-70.4-40.2175-169.90000110.2V965 N971 V974 Q975 I978 F993 G1006 Q1011 R1012 I1013V965-V1009 HydrophobicContact CG1-CB 4.34Å; V965-V1009 HydrophobicContact CG1-CG2 4.03Å; V965-V1009 HydrophobicContact CG2-CG1 4.26Å; V965-V1009 HydrophobicContact CG2-CG2 4.24Å; N971-V1009 HydrophobicContact CB-CG2 4.43Å; V974-V1009 HydrophobicContact CB-CG1 4.49Å; V974-V1009 HydrophobicContact CG1-CG1 3.65Å; Q975-V1009 HydrophobicContact CG-CG2 4.15Å; I978-V1009 HydrophobicContact CD1-CG1 3.59Å; F993-V1009 HydrophobicContact CE1-CB 4.37Å; F993-V1009 HydrophobicContact CE1-CG1 4.17Å; F993-V1009 HydrophobicContact CE2-CG1 4.41Å; F993-V1009 HydrophobicContact CZ-CB 3.97Å; F993-V1009 HydrophobicContact CZ-CG1 3.51Å; G1006-V1009 PolarHBondContact O-N 2.87Å; V1009-Q1011 VanDerWaalsContact C-N 3.33Å; V1009-Q1011 PolarHBondContact O-N 3.22Å; V1009-R1012 PolarHBondContact O-N 3.01Å; V1009-I1013 HydrophobicContact CG1-CD1 4.36Å; V1009-I1013 WeakPolarHBondContact O-CG1 3.46Å; V1009-I1013 PolarHBondContact O-N 2.87Å
1010I97Very high95.4Very high0 Ų044.4 Ų44.40%021%0.21CC..Hα-helixtrans-55.5-47.8170.4-61.2-74.9000110.7F993 V997 L1000 G1006 R1012 I1013 L1014 I1025 V1069F993-I1010 HydrophobicContact CD1-CD1 3.45Å; F993-I1010 VanDerWaalsContact CD1-CD1 3.45Å; F993-I1010 HydrophobicContact CD1-CG1 4.47Å; F993-I1010 HydrophobicContact CE1-CD1 3.54Å; F993-I1010 HydrophobicContact CE1-CG1 4.09Å; V997-I1010 HydrophobicContact CG1-CD1 4.2Å; L1000-I1010 HydrophobicContact CB-CD1 4.35Å; L1000-I1010 HydrophobicContact CB-CG1 4.36Å; G1006-I1010 WeakPolarHBondContact O-CG1 3.38Å; G1006-I1010 PolarHBondContact O-N 3.43Å; I1010-R1012 PolarHBondContact O-N 3.07Å; I1010-I1013 WeakPolarHBondContact O-CB 3.46Å; I1010-I1013 PolarHBondContact O-N 3.1Å; I1010-L1014 HydrophobicContact CG2-CD1 3.98Å; I1010-L1014 HydrophobicContact CG2-CG 4.37Å; I1010-L1014 WeakPolarHBondContact O-CG 3.42Å; I1010-L1014 PolarHBondContact O-N 3.28Å; I1010-I1025 HydrophobicContact CD1-CG2 4.15Å; I1010-I1025 HydrophobicContact CG2-CG2 4.37Å; I1010-V1069 HydrophobicContact CB-CG1 4.46Å; I1010-V1069 HydrophobicContact CG2-CG1 3.52Å; I1010-V1069 HydrophobicContact CG2-CG2 4.43Å
1011Q97Very high95.4Very high34 Ų3444.8 Ų44.816%0.15921%0.211CC..Hα-helixtrans-58.9-46.9176.8-77.2163.183.800112.1C1007 R1008 V1009 I1013 L1014 E1015 H1072C1007-Q1011 WeakPolarHBondContact O-CG 3.26Å; C1007-Q1011 PolarHBondContact O-N 3.05Å; C1007-Q1011 VanDerWaalsContact O-N 3.11Å; C1007-Q1011 PolarHBondContact O-NE2 3.33Å; R1008-Q1011 PolarHBondContact O-N 3.47Å; V1009-Q1011 VanDerWaalsContact C-N 3.33Å; V1009-Q1011 PolarHBondContact O-N 3.22Å; Q1011-I1013 VanDerWaalsContact C-N 3.33Å; Q1011-I1013 PolarHBondContact O-N 3.02Å; Q1011-L1014 PolarHBondContact O-N 3.36Å; Q1011-E1015 VanDerWaalsContact O-CG 3.27Å; Q1011-E1015 WeakPolarHBondContact O-CG 3.42Å; Q1011-E1015 PolarHBondContact O-N 3.43Å; Q1011-H1072 HydrophobicContact CG-CB 3.94Å
1012R97.6Very high95.4Very high51 Ų5145.5 Ų45.519%0.19222%0.216CC..Hα-helixtrans-59.4-39.6174.1-72.3-57.591.9744.9113.1Q975 I978 R1008 V1009 I1010 E1015 H1016Q975-R1012 HydrophobicContact CB-CG 3.92Å; Q975-R1012 HydrophobicContact CG-CG 3.69Å; I978-R1012 HydrophobicContact CB-CB 4.09Å; I978-R1012 HydrophobicContact CD1-CB 4.14Å; I978-R1012 HydrophobicContact CG2-CB 3.76Å; I978-R1012 VanDerWaalsContact CG2-O 3.26Å; I978-R1012 WeakPolarHBondContact CG2-O 3.37Å; R1008-R1012 PolarHBondContact O-N 2.87Å; V1009-R1012 PolarHBondContact O-N 3.01Å; I1010-R1012 PolarHBondContact O-N 3.07Å; R1012-E1015 IonicContact CZ-OE1 3.04Å; R1012-E1015 IonicContact CZ-OE2 2.72Å; R1012-E1015 IonicContact NE-OE1 2.7Å; R1012-E1015 IonicContact NE-OE2 2.74Å; R1012-E1015 PolarHBondContact NE-OE2 2.98Å; R1012-E1015 IonicContact NH2-OE1 3.14Å; R1012-E1015 PolarHBondContact NH2-OE1 3.11Å; R1012-E1015 IonicContact NH2-OE2 2.68Å; R1012-E1015 PolarHBondContact NH2-OE2 3.49Å; R1012-E1015 PolarHBondContact O-N 3.41Å; R1012-H1016 PolarHBondContact O-CD2 3.25Å; R1012-H1016 PolarHBondContact O-N 2.95Å
1013I96.6Very high95.4Very high0 Ų045.9 Ų45.90%022%0.216CC..Hα-helixtrans-59.9-47.7175.6-69.3167.6000110.1I978 I990 F993 V1009 I1010 Q1011 E1015 C1017 T1022 I1025I978-I1013 HydrophobicContact CD1-CG1 3.79Å; I990-I1013 HydrophobicContact CD1-CD1 4.09Å; I990-I1013 HydrophobicContact CD1-CG1 4.04Å; I990-I1013 HydrophobicContact CD1-CG2 3.68Å; F993-I1013 HydrophobicContact CD1-CD1 3.74Å; F993-I1013 HydrophobicContact CE1-CD1 3.58Å; F993-I1013 HydrophobicContact CE2-CD1 4.41Å; F993-I1013 HydrophobicContact CG-CD1 4.26Å; F993-I1013 HydrophobicContact CZ-CD1 3.96Å; V1009-I1013 HydrophobicContact CG1-CD1 4.36Å; V1009-I1013 WeakPolarHBondContact O-CG1 3.46Å; V1009-I1013 PolarHBondContact O-N 2.87Å; I1010-I1013 WeakPolarHBondContact O-CB 3.46Å; I1010-I1013 PolarHBondContact O-N 3.1Å; Q1011-I1013 VanDerWaalsContact C-N 3.33Å; Q1011-I1013 PolarHBondContact O-N 3.02Å; I1013-E1015 PolarHBondContact O-N 3.18Å; I1013-C1017 HydrophobicContact CG2-CB 4.16Å; I1013-C1017 VanDerWaalsContact O-CB 3.25Å; I1013-C1017 WeakPolarHBondContact O-CB 3.35Å; I1013-C1017 PolarHBondContact O-N 2.94Å; I1013-T1022 HydrophobicContact CG2-CG2 4.27Å; I1013-T1022 VanDerWaalsContact O-CG2 3.24Å; I1013-T1022 WeakPolarHBondContact O-CG2 3.4Å; I1013-I1025 HydrophobicContact CG2-CG1 4.26Å
1014L94.9Very high95.3Very high31 Ų3145.9 Ų45.916%0.16222%0.22CC..Hα-helixtrans-65.8-23178.7-64.7174.8000113.9I1010 Q1011 T1022 L1026 V1069 V1073I1010-L1014 HydrophobicContact CG2-CD1 3.98Å; I1010-L1014 HydrophobicContact CG2-CG 4.37Å; I1010-L1014 WeakPolarHBondContact O-CG 3.42Å; I1010-L1014 PolarHBondContact O-N 3.28Å; Q1011-L1014 PolarHBondContact O-N 3.36Å; L1014-T1022 HydrophobicContact CD2-CG2 4.23Å; L1014-L1026 HydrophobicContact CD2-CD1 4.34Å; L1014-L1026 HydrophobicContact CD2-CD2 3.79Å; L1014-L1026 HydrophobicContact CD2-CG 3.82Å; L1014-V1069 HydrophobicContact CD1-CG1 4.33Å; L1014-V1073 HydrophobicContact CD1-CG2 3.82Å
1015E94.8Very high95.1Very high79 Ų7944 Ų4437%0.36921%0.208SC..Hα-helixtrans-88-36.1179.2-72.6166.6-153.200114.3Q1011 R1012 I1013 H1072Q1011-E1015 VanDerWaalsContact O-CG 3.27Å; Q1011-E1015 WeakPolarHBondContact O-CG 3.42Å; Q1011-E1015 PolarHBondContact O-N 3.43Å; R1012-E1015 IonicContact CZ-OE1 3.04Å; R1012-E1015 IonicContact CZ-OE2 2.72Å; R1012-E1015 IonicContact NE-OE1 2.7Å; R1012-E1015 IonicContact NE-OE2 2.74Å; R1012-E1015 PolarHBondContact NE-OE2 2.98Å; R1012-E1015 IonicContact NH2-OE1 3.14Å; R1012-E1015 PolarHBondContact NH2-OE1 3.11Å; R1012-E1015 IonicContact NH2-OE2 2.68Å; R1012-E1015 PolarHBondContact NH2-OE2 3.49Å; R1012-E1015 PolarHBondContact O-N 3.41Å; I1013-E1015 PolarHBondContact O-N 3.18Å; E1015-H1072 WeakPolarHBondContact CG-CE1 3.43Å; E1015-H1072 WeakPolarHBondContact CG-NE2 3.38Å; E1015-H1072 IonicContact OE1-CE1 3.74Å; E1015-H1072 PolarHBondContact OE1-CE1 2.92Å; E1015-H1072 IonicContact OE1-ND1 2.77Å; E1015-H1072 PolarHBondContact OE1-ND1 2.76Å; E1015-H1072 IonicContact OE1-NE2 2.71Å
1016H94.4Very high94.7Very high80 Ų8040.9 Ų40.937%0.3720%0.196SC..Hα-helixtrans-122.5-20.4-165.7-64.2-86.7000115.6I978 P983 R1012I978-H1016 HydrophobicContact CG2-CB 3.77Å; I978-H1016 WeakPolarHBondContact O-CB 3.48Å; P983-H1016 WeakPolarHBondContact CG-O 3.49Å; R1012-H1016 PolarHBondContact O-CD2 3.25Å; R1012-H1016 PolarHBondContact O-N 2.95Å
1017C94.7Very high94.3Very high17 Ų1745.5 Ų45.512%0.11522%0.218CC..SBendtrans-81.2166.8-179.6-64.30000111.9I990 I1013 Q1021 T1022I990-C1017 HydrophobicContact CD1-CB 4.43Å; I1013-C1017 HydrophobicContact CG2-CB 4.16Å; I1013-C1017 VanDerWaalsContact O-CB 3.25Å; I1013-C1017 WeakPolarHBondContact O-CB 3.35Å; I1013-C1017 PolarHBondContact O-N 2.94Å; C1017-Q1021 HydrophobicContact CB-CB 3.89Å; C1017-T1022 HydrophobicContact CB-CG2 4.13Å
1018T94.7Very high93.8Very high41 Ų4146.3 Ų46.325%0.25222%0.221SC..  trans-68.3164.5-179.470.10000112P983 E1020 Q1021 T1022P983-T1018 HydrophobicContact CB-CG2 3.97Å; T1018-E1020 PolarHBondContact O-N 2.91Å; T1018-E1020 PolarHBondContact OG1-N 3.11Å; T1018-Q1021 VanDerWaalsContact N-OE1 3.15Å; T1018-Q1021 PolarHBondContact O-N 3.15Å; T1018-Q1021 VanDerWaalsContact O-N 3.14Å; T1018-Q1021 WeakPolarHBondContact OG1-CG 3.47Å; T1018-Q1021 PolarHBondContact OG1-N 3Å; T1018-T1022 WeakPolarHBondContact O-CG2 3.38Å; T1018-T1022 PolarHBondContact O-N 3.06Å; T1018-T1022 PolarHBondContact O-OG1 3.1Å
1019Q90.8Very high93.3Very high117 Ų11741.3 Ų41.355%0.54720%0.203SC..Hα-helixtrans-57.6-40.2171.7-173.5173.6-1100111.5Q1021 T1022 L1023Q1019-Q1021 VanDerWaalsContact C-N 3.28Å; Q1019-Q1021 PolarHBondContact O-N 3.34Å; Q1019-T1022 WeakPolarHBondContact CA-OG1 3.14Å; Q1019-T1022 PolarHBondContact O-N 3.28Å; Q1019-T1022 PolarHBondContact O-OG1 3.47Å; Q1019-L1023 HydrophobicContact CG-CD1 4.17Å; Q1019-L1023 HydrophobicContact CG-CG 4.29Å; Q1019-L1023 WeakPolarHBondContact O-CB 3.38Å; Q1019-L1023 WeakPolarHBondContact O-CG 3.36Å; Q1019-L1023 PolarHBondContact O-N 2.85Å
1020E93.1Very high92.5Very high163 Ų16342.6 Ų42.676%0.76221%0.209SC*.Hα-helixtrans-61.8-34.1177-61.9169168.200112.6T1018 P1024T1018-E1020 PolarHBondContact O-N 2.91Å; T1018-E1020 PolarHBondContact OG1-N 3.11Å; E1020-P1024 WeakPolarHBondContact O-CD 3.4Å
1021Q94.7Very high91.4Very high7 Ų746.9 Ų46.93%0.03323%0.229CC..Hα-helixtrans-82.1-31.5177.9-73.9175.5-32.900113.7P983 Q987 I990 C1017 T1018 Q1019P983-Q1021 VanDerWaalsContact CB-OE1 3.25Å; P983-Q1021 PolarHBondContact O-NE2 2.99Å; Q987-Q1021 VanDerWaalsContact OE1-CG 3.31Å; I990-Q1021 HydrophobicContact CD1-CB 4.32Å; I990-Q1021 HydrophobicContact CG1-CB 4.07Å; I990-Q1021 HydrophobicContact CG1-CG 4.08Å; I990-Q1021 HydrophobicContact CG2-CB 4.41Å; I990-Q1021 WeakPolarHBondContact CG2-O 3.21Å; C1017-Q1021 HydrophobicContact CB-CB 3.89Å; T1018-Q1021 VanDerWaalsContact N-OE1 3.15Å; T1018-Q1021 PolarHBondContact O-N 3.15Å; T1018-Q1021 VanDerWaalsContact O-N 3.14Å; T1018-Q1021 WeakPolarHBondContact OG1-CG 3.47Å; T1018-Q1021 PolarHBondContact OG1-N 3Å; Q1019-Q1021 VanDerWaalsContact C-N 3.28Å; Q1019-Q1021 PolarHBondContact O-N 3.34Å
1022T93.8Very high89.6Confident16 Ų1646.6 Ų46.610%0.09823%0.227CC..Hα-helixtrans-83.1-27.6179.949.30000112.7I1013 L1014 C1017 T1018 Q1019 I1025 L1026I1013-T1022 HydrophobicContact CG2-CG2 4.27Å; I1013-T1022 VanDerWaalsContact O-CG2 3.24Å; I1013-T1022 WeakPolarHBondContact O-CG2 3.4Å; L1014-T1022 HydrophobicContact CD2-CG2 4.23Å; C1017-T1022 HydrophobicContact CB-CG2 4.13Å; T1018-T1022 WeakPolarHBondContact O-CG2 3.38Å; T1018-T1022 PolarHBondContact O-N 3.06Å; T1018-T1022 PolarHBondContact O-OG1 3.1Å; Q1019-T1022 WeakPolarHBondContact CA-OG1 3.14Å; Q1019-T1022 PolarHBondContact O-N 3.28Å; Q1019-T1022 PolarHBondContact O-OG1 3.47Å; T1022-I1025 PolarHBondContact O-N 3.25Å; T1022-L1026 WeakPolarHBondContact O-CB 3.48Å; T1022-L1026 WeakPolarHBondContact O-CG 3.4Å; T1022-L1026 PolarHBondContact O-N 3.24Å
1023L91.6Very high87.4Confident47 Ų4744.8 Ų44.825%0.24622%0.222CC..Hα-helixtrans-51.5-56.5175.5-85.2167.4000114.4Q1019 I1025 L1026 E1027Q1019-L1023 HydrophobicContact CG-CD1 4.17Å; Q1019-L1023 HydrophobicContact CG-CG 4.29Å; Q1019-L1023 WeakPolarHBondContact O-CB 3.38Å; Q1019-L1023 WeakPolarHBondContact O-CG 3.36Å; Q1019-L1023 PolarHBondContact O-N 2.85Å; L1023-I1025 VanDerWaalsContact C-N 3.26Å; L1023-I1025 PolarHBondContact O-N 2.92Å; L1023-L1026 PolarHBondContact O-N 3.49Å; L1023-L1026 VanDerWaalsContact O-N 3.14Å; L1023-E1027 WeakPolarHBondContact O-CB 3.48Å; L1023-E1027 WeakPolarHBondContact O-CG 3.17Å; L1023-E1027 PolarHBondContact O-N 3.25Å
1024P91.4Very high84.8Confident45 Ų4550.1 Ų50.129%0.29225%0.247SC..Hα-helixtrans-63-32.7-179.323.9-34.3000112.6E1020 E1028E1020-P1024 WeakPolarHBondContact O-CD 3.4Å; P1024-E1028 VanDerWaalsContact O-CB 3.31Å; P1024-E1028 WeakPolarHBondContact O-CB 3.39Å; P1024-E1028 PolarHBondContact O-N 3.06Å
1025I92.1Very high82.2Confident1 Ų153.3 Ų53.31%0.00526%0.261CS..Hα-helixtrans-68.2-41.4176.1-55-62.5000111I990 F993 V997 I1010 I1013 T1022 L1023 L1029I990-I1025 HydrophobicContact CG2-CD1 4.3Å; I990-I1025 HydrophobicContact CG2-CG1 4.32Å; F993-I1025 HydrophobicContact CB-CD1 3.77Å; V997-I1025 HydrophobicContact CG1-CG2 4.02Å; V997-I1025 HydrophobicContact CG2-CD1 3.72Å; V997-I1025 HydrophobicContact CG2-CG2 4.1Å; I1010-I1025 HydrophobicContact CD1-CG2 4.15Å; I1010-I1025 HydrophobicContact CG2-CG2 4.37Å; I1013-I1025 HydrophobicContact CG2-CG1 4.26Å; T1022-I1025 PolarHBondContact O-N 3.25Å; L1023-I1025 VanDerWaalsContact C-N 3.26Å; L1023-I1025 PolarHBondContact O-N 2.92Å; I1025-L1029 WeakPolarHBondContact O-CB 3.2Å; I1025-L1029 PolarHBondContact O-N 3.28Å
1026L89.9Confident80Confident8 Ų851.1 Ų51.14%0.04225%0.252CS..Hα-helixtrans-67.9-44.4175.2-72.3166.1000111.4L1014 T1022 L1023 L1029 H1030 V1073L1014-L1026 HydrophobicContact CD2-CD1 4.34Å; L1014-L1026 HydrophobicContact CD2-CD2 3.79Å; L1014-L1026 HydrophobicContact CD2-CG 3.82Å; T1022-L1026 WeakPolarHBondContact O-CB 3.48Å; T1022-L1026 WeakPolarHBondContact O-CG 3.4Å; T1022-L1026 PolarHBondContact O-N 3.24Å; L1023-L1026 PolarHBondContact O-N 3.49Å; L1023-L1026 VanDerWaalsContact O-N 3.14Å; L1026-L1029 WeakPolarHBondContact O-CB 3.47Å; L1026-L1029 PolarHBondContact O-N 3.02Å; L1026-H1030 PolarHBondContact O-CD2 2.71Å; L1026-H1030 PolarHBondContact O-N 2.76Å; L1026-V1073 HydrophobicContact CD2-CG1 4Å; L1026-V1073 HydrophobicContact CD2-CG2 3.69Å
1027E88.4Confident77.7Confident98 Ų9848.3 Ų48.346%0.45825%0.245SC..Hα-helixtrans-60.3-48177.1-74.5178.2-174.800111.8L1023 L1029 H1030 Q1031L1023-E1027 WeakPolarHBondContact O-CB 3.48Å; L1023-E1027 WeakPolarHBondContact O-CG 3.17Å; L1023-E1027 PolarHBondContact O-N 3.25Å; E1027-L1029 VanDerWaalsContact C-N 3.31Å; E1027-L1029 PolarHBondContact O-N 3.09Å; E1027-H1030 PolarHBondContact O-N 3.13Å; E1027-Q1031 WeakPolarHBondContact O-CB 3.33Å; E1027-Q1031 WeakPolarHBondContact O-CG 3.5Å; E1027-Q1031 PolarHBondContact O-N 2.97Å
1028E87.1Confident75.3Confident23 Ų2354.5 Ų54.511%0.10727%0.272CS..Hα-helixtrans-63.1-37.7176.5-172.4-179.1151.900112G995 Q996 V997 P1024 H1030 Q1031 H1032G995-E1028 VanDerWaalsContact CA-OE1 3.24Å; G995-E1028 WeakPolarHBondContact CA-OE1 3.31Å; G995-E1028 PolarHBondContact N-OE1 2.97Å; G995-E1028 PolarHBondContact N-OE2 2.78Å; Q996-E1028 PolarHBondContact N-OE1 2.67Å; V997-E1028 HydrophobicContact CB-CB 4.12Å; V997-E1028 HydrophobicContact CB-CG 3.86Å; V997-E1028 WeakPolarHBondContact CB-OE1 3.33Å; V997-E1028 HydrophobicContact CG2-CB 4.04Å; V997-E1028 VanDerWaalsContact CG2-CD 3.48Å; V997-E1028 HydrophobicContact CG2-CG 4.08Å; V997-E1028 WeakPolarHBondContact CG2-OE2 3.45Å; V997-E1028 PolarHBondContact N-OE1 3.27Å; P1024-E1028 VanDerWaalsContact O-CB 3.31Å; P1024-E1028 WeakPolarHBondContact O-CB 3.39Å; P1024-E1028 PolarHBondContact O-N 3.06Å; E1028-H1030 VanDerWaalsContact C-N 3.35Å; E1028-H1030 PolarHBondContact O-N 2.81Å; E1028-Q1031 PolarHBondContact O-N 3.03Å; E1028-H1032 WeakPolarHBondContact CG-CD2 3.2Å; E1028-H1032 WeakPolarHBondContact CG-NE2 3.47Å; E1028-H1032 PolarHBondContact O-CD2 3.21Å; E1028-H1032 VanDerWaalsContact O-CD2 3.28Å; E1028-H1032 PolarHBondContact O-N 2.79Å; E1028-H1032 VanDerWaalsContact O-N 3.07Å; E1028-H1032 IonicContact OE1-CD2 3.91Å; E1028-H1032 IonicContact OE1-CE1 3.67Å; E1028-H1032 IonicContact OE1-NE2 2.74Å; E1028-H1032 PolarHBondContact OE1-NE2 3.42Å
1029L85.9Confident73Confident10 Ų1060.9 Ų60.95%0.05230%0.296CS..Hα-helixtrans-61.7-38.3174.6175.3152.5000112.6V997 I1025 L1026 E1027 L1060 V1069 I1070V997-L1029 HydrophobicContact CG1-CB 4.04Å; I1025-L1029 WeakPolarHBondContact O-CB 3.2Å; I1025-L1029 PolarHBondContact O-N 3.28Å; L1026-L1029 WeakPolarHBondContact O-CB 3.47Å; L1026-L1029 PolarHBondContact O-N 3.02Å; E1027-L1029 VanDerWaalsContact C-N 3.31Å; E1027-L1029 PolarHBondContact O-N 3.09Å; L1029-L1060 HydrophobicContact CG-CD1 4.01Å; L1029-V1069 HydrophobicContact CD1-CG1 3.58Å; L1029-I1070 HydrophobicContact CD1-CD1 4.25Å; L1029-I1070 HydrophobicContact CD2-CD1 3.81Å; L1029-I1070 HydrophobicContact CG-CD1 4.23Å
1030H82.1Confident70.8Confident27 Ų2762.3 Ų62.313%0.12530%0.298CS..Hα-helixtrans-75.6-31.3173.7-60.3-63.5000112.4L1026 E1027 E1028 S1033 D1081 K1084L1026-H1030 PolarHBondContact O-CD2 2.71Å; L1026-H1030 PolarHBondContact O-N 2.76Å; E1027-H1030 PolarHBondContact O-N 3.13Å; E1028-H1030 VanDerWaalsContact C-N 3.35Å; E1028-H1030 PolarHBondContact O-N 2.81Å; H1030-S1033 WeakPolarHBondContact O-CB 3.25Å; H1030-S1033 PolarHBondContact O-OG 2.92Å; H1030-D1081 IonicContact CD2-OD1 3.62Å; H1030-D1081 IonicContact CE1-OD1 2.66Å; H1030-D1081 IonicContact NE2-OD1 3.74Å; H1030-D1081 PolarHBondContact NE2-OD1 3.45Å; H1030-K1084 WeakPolarHBondContact NE2-CD 3.24Å
1031Q74.3Confident68.3Low90 Ų9061.7 Ų61.742%0.42130%0.295SS..Hα-helixtrans-79.4-31.6-174.9-76.6175.643.800115.2E1027 E1028 S1033 E1034E1027-Q1031 WeakPolarHBondContact O-CB 3.33Å; E1027-Q1031 WeakPolarHBondContact O-CG 3.5Å; E1027-Q1031 PolarHBondContact O-N 2.97Å; E1028-Q1031 PolarHBondContact O-N 3.03Å; Q1031-S1033 PolarHBondContact O-N 2.7Å; Q1031-E1034 PolarHBondContact O-N 3.36Å
1032H59.9Low65.7Low27 Ų2764.6 Ų64.613%0.12533%0.327CS..THydrogen-bonded Turntrans-68.13.4177.9-78.8-55.9000114.4F998 E1028 E1034F998-H1032 HydrophobicContact CB-CB 3.81Å; F998-H1032 VanDerWaalsContact CB-CD2 3.48Å; F998-H1032 WeakPolarHBondContact CB-CD2 3.24Å; F998-H1032 HydrophobicContact CD2-CB 3.79Å; F998-H1032 HydrophobicContact CG-CB 4.08Å; E1028-H1032 WeakPolarHBondContact CG-CD2 3.2Å; E1028-H1032 WeakPolarHBondContact CG-NE2 3.47Å; E1028-H1032 PolarHBondContact O-CD2 3.21Å; E1028-H1032 VanDerWaalsContact O-CD2 3.28Å; E1028-H1032 PolarHBondContact O-N 2.79Å; E1028-H1032 VanDerWaalsContact O-N 3.07Å; E1028-H1032 IonicContact OE1-CD2 3.91Å; E1028-H1032 IonicContact OE1-CE1 3.67Å; E1028-H1032 IonicContact OE1-NE2 2.74Å; E1028-H1032 PolarHBondContact OE1-NE2 3.42Å; H1032-E1034 PolarHBondContact O-N 2.83Å
1033S49.7Very low63.3Low13 Ų1368.3 Ų68.39%0.09135%0.349CS..THydrogen-bonded Turntrans-63.9-21.9166.164.80000113.5H1030 Q1031 R1057H1030-S1033 WeakPolarHBondContact O-CB 3.25Å; H1030-S1033 PolarHBondContact O-OG 2.92Å; Q1031-S1033 PolarHBondContact O-N 2.7Å; S1033-R1057 WeakPolarHBondContact O-CG 3.43Å
1034E42.1Very low61.2Low112 Ų11271.6 Ų71.652%0.52338%0.377SS..THydrogen-bonded Turntrans-126.9-40.9178.9-80.7175.4145.100115.6Q1031 H1032 L1036 G1037 R1057Q1031-E1034 PolarHBondContact O-N 3.36Å; H1032-E1034 PolarHBondContact O-N 2.83Å; E1034-L1036 PolarHBondContact O-N 3.14Å; E1034-L1036 VanDerWaalsContact O-N 3.11Å; E1034-G1037 PolarHBondContact O-N 2.94Å; E1034-R1057 IonicContact OE1-CZ 3.5Å; E1034-R1057 IonicContact OE1-NH1 2.76Å; E1034-R1057 PolarHBondContact OE1-NH1 3.33Å; E1034-R1057 IonicContact OE1-NH2 2.92Å; E1034-R1057 PolarHBondContact OE1-NH2 2.93Å; E1034-R1057 IonicContact OE2-CZ 2.93Å; E1034-R1057 IonicContact OE2-NH1 3.92Å; E1034-R1057 IonicContact OE2-NH2 2.76Å; E1034-R1057 PolarHBondContact OE2-NH2 3.18Å
1035Q41.3Very low58.9Low98 Ų9876.7 Ų76.746%0.45840%0.401SS..Hα-helixtrans-63-27.1-166.3-68.9-175.47.500114.6G1037 Q1038 K1039Q1035-G1037 PolarHBondContact O-N 3.36Å; Q1035-Q1038 PolarHBondContact O-N 3.19Å; Q1035-K1039 PolarHBondContact O-N 3.47Å; Q1035-K1039 VanDerWaalsContact O-N 3.08Å
1036L49Very low56.8Low34 Ų3485 Ų8518%0.17844%0.439CS..Hα-helixtrans-67.6-20.5176-92.6159.7000113.6F998 E1034 Y1040 V1055F998-L1036 HydrophobicContact CD1-CD1 3.6Å; F998-L1036 HydrophobicContact CD2-CD1 4.27Å; F998-L1036 HydrophobicContact CE1-CD1 3.71Å; F998-L1036 HydrophobicContact CE2-CD1 4.35Å; F998-L1036 HydrophobicContact CG-CD1 3.92Å; F998-L1036 HydrophobicContact CZ-CD1 4.09Å; E1034-L1036 PolarHBondContact O-N 3.14Å; E1034-L1036 VanDerWaalsContact O-N 3.11Å; L1036-Y1040 HydrophobicContact CD2-CD2 4.45Å; L1036-Y1040 HydrophobicContact CD2-CE2 4.01Å; L1036-V1055 HydrophobicContact CB-CB 3.72Å; L1036-V1055 HydrophobicContact CB-CG1 4.15Å; L1036-V1055 HydrophobicContact CB-CG2 3.78Å; L1036-V1055 HydrophobicContact CD1-CB 4.43Å; L1036-V1055 HydrophobicContact CD1-CG1 4.05Å; L1036-V1055 HydrophobicContact CD1-CG2 4.25Å; L1036-V1055 HydrophobicContact CG-CG2 4.41Å
1037G46Very low54.4Low21 Ų2192.7 Ų92.722%0.21648%0.477CS..Hα-helixtrans-69.1-50.5168.900000111.7E1034 Q1035 Y1040 Q1041E1034-G1037 PolarHBondContact O-N 2.94Å; Q1035-G1037 PolarHBondContact O-N 3.36Å; G1037-Y1040 PolarHBondContact O-N 3.35Å; G1037-Q1041 PolarHBondContact O-N 3.18Å; G1037-Q1041 VanDerWaalsContact O-N 3.16Å
1038Q42.8Very low52Low146 Ų14693 Ų9368%0.68249%0.486SS*.Hα-helixtrans-68.9-38.8-175.2-66.1-173.4-0.600112.9Q1035 Y1040 Q1041 G1042Q1035-Q1038 PolarHBondContact O-N 3.19Å; Q1038-Y1040 PolarHBondContact O-N 3.14Å; Q1038-Y1040 VanDerWaalsContact O-N 3.13Å; Q1038-Q1041 PolarHBondContact O-N 2.9Å; Q1038-Q1041 VanDerWaalsContact O-N 3.1Å; Q1038-G1042 PolarHBondContact O-N 3.12Å
1039K46.3Very low49.9Very low175 Ų17598.1 Ų98.176%0.76152%0.521SS*.Hα-helixtrans-64.5-18.4-178.8-164.9165.7-175171.30113.9Q1035Q1035-K1039 PolarHBondContact O-N 3.47Å; Q1035-K1039 VanDerWaalsContact O-N 3.08Å
1040Y45Very low47.5Very low148 Ų148106.2 Ų106.258%0.5856%0.556SS**Hα-helixtrans-101.6-20.6171.6-75.7-81.1000114L1036 G1037 Q1038 G1042L1036-Y1040 HydrophobicContact CD2-CD2 4.45Å; L1036-Y1040 HydrophobicContact CD2-CE2 4.01Å; G1037-Y1040 PolarHBondContact O-N 3.35Å; Q1038-Y1040 PolarHBondContact O-N 3.14Å; Q1038-Y1040 VanDerWaalsContact O-N 3.13Å; Y1040-G1042 PolarHBondContact O-N 2.77Å
1041Q41.3Very low45.4Very low149 Ų149109.2 Ų109.270%0.69658%0.576SS**Hα-helixtrans-68.4-15.2173-80.5178.8-53.300114G1037 Q1038 V1043G1037-Q1041 PolarHBondContact O-N 3.18Å; G1037-Q1041 VanDerWaalsContact O-N 3.16Å; Q1038-Q1041 PolarHBondContact O-N 2.9Å; Q1038-Q1041 VanDerWaalsContact O-N 3.1Å; Q1041-V1043 VanDerWaalsContact C-N 3.29Å; Q1041-V1043 PolarHBondContact O-N 2.9Å
1042G40.1Very low43.4Very low69 Ų69112.6 Ų112.671%0.71159%0.586SS**THydrogen-bonded Turntrans-73.5-6.9176.800000116.1Q1038 Y1040Q1038-G1042 PolarHBondContact O-N 3.12Å; Y1040-G1042 PolarHBondContact O-N 2.77Å
1043V43.5Very low42.3Very low93 Ų93120.2 Ų120.256%0.56462%0.615SS**  trans-104.173.2-179.7-170.30000110.6Q1041 Y1052Q1041-V1043 VanDerWaalsContact C-N 3.29Å; Q1041-V1043 PolarHBondContact O-N 2.9Å; V1043-Y1052 PolarHBondContact O-OH 3Å; V1043-Y1052 VanDerWaalsContact O-OH 3.09Å
1044S47.4Very low41.7Very low117 Ų117125.6 Ų125.682%0.81865%0.648SS**  trans-10371172.3-1640000110.6
1045L43Very low41.9Very low152 Ų152122 Ų12280%0.79663%0.634SS**SBendtrans-146.3107.6168.9-104.5168.9000109.7
1046E46.7Very low42.5Very low176 Ų176120.2 Ų120.282%0.82263%0.631SS**SBendtrans8.2101.6165.1-52.8-170.9138.400119.1
1047M40.4Very low42.9Very low169 Ų169123.1 Ų123.183%0.83364%0.64SS**  165.8139.2109-86.7174.272.800113.6
1048T37.5Very low44Very low104 Ų104122.6 Ų122.664%0.63863%0.633SS**  trans67.6125.8175.671.80000117.4K1050T1048-K1050 PolarHBondContact O-N 2.91Å
1049P43.3Very low45.7Very low131 Ų131116.8 Ų116.885%0.85161%0.609SS**  trans-79.392.7177.832.1-34.1000111.3
1050K36.4Very low47.7Very low179 Ų179109 Ų10978%0.77858%0.576SS**  trans-113.775.6170.3-77.2-175.4176.61750112.1T1048T1048-K1050 PolarHBondContact O-N 2.91Å
1051T36.7Very low49.9Very low91 Ų91102.1 Ų102.156%0.55855%0.549SS*.  trans54.475.7153.5-32.70000116.3Y1053T1051-Y1053 VanDerWaalsContact C-N 3.3Å; T1051-Y1053 HydrophobicContact CG2-CD1 4.09Å; T1051-Y1053 HydrophobicContact CG2-CD2 3.75Å; T1051-Y1053 HydrophobicContact CG2-CE1 3.76Å; T1051-Y1053 HydrophobicContact CG2-CE2 3.39Å; T1051-Y1053 HydrophobicContact CG2-CG 4.09Å; T1051-Y1053 PolarHBondContact O-N 3.07Å
1052Y33Very low52.2Low160 Ų16098.2 Ų98.263%0.62753%0.53SS*.  trans-64.590.6158.4-69-84.1000109.8V1043 T1054V1043-Y1052 PolarHBondContact O-OH 3Å; V1043-Y1052 VanDerWaalsContact O-OH 3.09Å; Y1052-T1054 PolarHBondContact O-N 3.31Å
1053Y36.7Very low54.7Low187 Ų18796.6 Ų96.673%0.73351%0.505SS*.  trans-70.9107166.8-70.5-74.6000109T1051 V1055T1051-Y1053 VanDerWaalsContact C-N 3.3Å; T1051-Y1053 HydrophobicContact CG2-CD1 4.09Å; T1051-Y1053 HydrophobicContact CG2-CD2 3.75Å; T1051-Y1053 HydrophobicContact CG2-CE1 3.76Å; T1051-Y1053 HydrophobicContact CG2-CE2 3.39Å; T1051-Y1053 HydrophobicContact CG2-CG 4.09Å; T1051-Y1053 PolarHBondContact O-N 3.07Å; Y1053-V1055 PolarHBondContact O-N 3Å
1054T37.5Very low57.1Low127 Ų12796.7 Ų96.778%0.77950%0.499SS*.  trans-61.3104.6159.438.60000108.2Y1052 S1056Y1052-T1054 PolarHBondContact O-N 3.31Å; T1054-S1056 VanDerWaalsContact C-N 3.32Å; T1054-S1056 PolarHBondContact O-N 2.69Å
1055V46.4Very low59.4Low37 Ų3794.5 Ų94.522%0.22447%0.474CS..  trans-6797.51731800000107.3F998 L1036 Y1053 A1059F998-V1055 HydrophobicContact CE2-CG1 4.04Å; F998-V1055 HydrophobicContact CZ-CG1 3.78Å; L1036-V1055 HydrophobicContact CB-CB 3.72Å; L1036-V1055 HydrophobicContact CB-CG1 4.15Å; L1036-V1055 HydrophobicContact CB-CG2 3.78Å; L1036-V1055 HydrophobicContact CD1-CB 4.43Å; L1036-V1055 HydrophobicContact CD1-CG1 4.05Å; L1036-V1055 HydrophobicContact CD1-CG2 4.25Å; L1036-V1055 HydrophobicContact CG-CG2 4.41Å; Y1053-V1055 PolarHBondContact O-N 3Å; V1055-A1059 HydrophobicContact CG1-CB 3.76Å
1056S52.7Low61.8Low59 Ų5987.3 Ų87.341%0.41344%0.436SS..  trans-61147177-179.40000110.4T1054 D1058 A1059T1054-S1056 VanDerWaalsContact C-N 3.32Å; T1054-S1056 PolarHBondContact O-N 2.69Å; S1056-D1058 PolarHBondContact O-N 3.25Å; S1056-A1059 WeakPolarHBondContact O-CB 3.15Å; S1056-A1059 PolarHBondContact O-N 3.46Å
1057R57.4Low64.1Low95 Ų9579 Ų7936%0.35840%0.397SS..THydrogen-bonded Turntrans-44.2-40.3171.4-54.3-165.9110.198.43.5112.3S1033 E1034 A1059 E1088S1033-R1057 WeakPolarHBondContact O-CG 3.43Å; E1034-R1057 IonicContact OE1-CZ 3.5Å; E1034-R1057 IonicContact OE1-NH1 2.76Å; E1034-R1057 PolarHBondContact OE1-NH1 3.33Å; E1034-R1057 IonicContact OE1-NH2 2.92Å; E1034-R1057 PolarHBondContact OE1-NH2 2.93Å; E1034-R1057 IonicContact OE2-CZ 2.93Å; E1034-R1057 IonicContact OE2-NH1 3.92Å; E1034-R1057 IonicContact OE2-NH2 2.76Å; E1034-R1057 PolarHBondContact OE2-NH2 3.18Å; R1057-A1059 PolarHBondContact O-N 3.01Å; R1057-A1059 VanDerWaalsContact O-N 3.1Å; R1057-E1088 WeakPolarHBondContact CD-OE1 3.25Å; R1057-E1088 IonicContact NE-OE1 2.62Å; R1057-E1088 PolarHBondContact NE-OE1 3.02Å; R1057-E1088 VanDerWaalsContact NE-OE1 3.12Å
1058D68.8Low66.8Low11 Ų1176.8 Ų76.86%0.05938%0.38CS..THydrogen-bonded Turntrans-72.10.9-178.2-48.8-15.4000115.3S1056 L1060 F1061 K1062 K1092 L1096S1056-D1058 PolarHBondContact O-N 3.25Å; D1058-L1060 VanDerWaalsContact C-N 3.3Å; D1058-L1060 PolarHBondContact O-N 3.42Å; D1058-F1061 HydrophobicContact CB-CD2 3.81Å; D1058-F1061 HydrophobicContact CB-CE2 4.4Å; D1058-F1061 WeakPolarHBondContact O-CB 3.46Å; D1058-F1061 PolarHBondContact O-N 3.01Å; D1058-K1062 HydrophobicContact CB-CD 3.82Å; D1058-K1062 HydrophobicContact CB-CG 4.49Å; D1058-K1062 PolarHBondContact O-N 2.69Å; D1058-K1062 IonicContact OD2-NZ 3.64Å; D1058-K1062 PolarHBondContact OD2-NZ 2.99Å; D1058-K1092 WeakPolarHBondContact OD1-CD 3.41Å; D1058-K1092 WeakPolarHBondContact OD1-CE 3.27Å; D1058-K1092 IonicContact OD1-NZ 2.72Å; D1058-K1092 PolarHBondContact OD1-NZ 3.04Å; D1058-L1096 HydrophobicContact CB-CD2 4.32Å
1059A80.4Confident69.6Low24 Ų2471.8 Ų71.820%0.19835%0.35CS..Hα-helixtrans-57.5-41.1-170.600000112.4F998 V1055 S1056 R1057 K1062 D1063F998-A1059 HydrophobicContact CE2-CB 4Å; F998-A1059 HydrophobicContact CZ-CB 4.04Å; V1055-A1059 HydrophobicContact CG1-CB 3.76Å; S1056-A1059 WeakPolarHBondContact O-CB 3.15Å; S1056-A1059 PolarHBondContact O-N 3.46Å; R1057-A1059 PolarHBondContact O-N 3.01Å; R1057-A1059 VanDerWaalsContact O-N 3.1Å; A1059-K1062 PolarHBondContact O-N 2.88Å; A1059-D1063 WeakPolarHBondContact O-CB 3.3Å; A1059-D1063 PolarHBondContact O-N 3.06Å
1060L87.4Confident72Confident10 Ų1065.7 Ų65.75%0.05231%0.31CS..Hα-helixtrans-69.7-29.8175.7-66.4179.3000113F998 T1002 L1029 D1058 K1062 G1066 N1067 I1070F998-L1060 HydrophobicContact CD2-CD1 4.24Å; F998-L1060 HydrophobicContact CD2-CD2 3.76Å; F998-L1060 HydrophobicContact CD2-CG 3.92Å; F998-L1060 HydrophobicContact CE2-CD2 3.81Å; F998-L1060 HydrophobicContact CE2-CG 3.9Å; T1002-L1060 HydrophobicContact CG2-CD2 3.73Å; L1029-L1060 HydrophobicContact CG-CD1 4.01Å; D1058-L1060 VanDerWaalsContact C-N 3.3Å; D1058-L1060 PolarHBondContact O-N 3.42Å; L1060-K1062 VanDerWaalsContact C-N 3.28Å; L1060-K1062 PolarHBondContact O-N 3.45Å; L1060-G1066 CarbonylContact O-C 3.34Å; L1060-N1067 WeakPolarHBondContact O-CA 3.4Å; L1060-N1067 PolarHBondContact O-N 3.23Å; L1060-I1070 HydrophobicContact CB-CD1 3.93Å; L1060-I1070 HydrophobicContact CB-CG1 3.86Å; L1060-I1070 HydrophobicContact CD1-CD1 4.1Å
1061F90.9Very high74.9Confident4 Ų458.2 Ų58.22%0.01828%0.277CS..Hα-helixtrans-68.3-32.7173.5-46.7-33.5000111.6D1058 I1070 I1085 E1088 V1089 L1096 F1101 A1102 V1105D1058-F1061 HydrophobicContact CB-CD2 3.81Å; D1058-F1061 HydrophobicContact CB-CE2 4.4Å; D1058-F1061 WeakPolarHBondContact O-CB 3.46Å; D1058-F1061 PolarHBondContact O-N 3.01Å; F1061-I1070 HydrophobicContact CD1-CB 4.25Å; F1061-I1070 HydrophobicContact CD1-CD1 4.5Å; F1061-I1070 HydrophobicContact CD1-CG1 3.89Å; F1061-I1070 HydrophobicContact CD1-CG2 3.74Å; F1061-I1070 HydrophobicContact CE1-CB 4.49Å; F1061-I1070 HydrophobicContact CE1-CD1 4.24Å; F1061-I1070 HydrophobicContact CE1-CG1 4.1Å; F1061-I1070 HydrophobicContact CE1-CG2 3.7Å; F1061-I1085 HydrophobicContact CE1-CG2 4.08Å; F1061-I1085 HydrophobicContact CZ-CG2 4.44Å; F1061-E1088 HydrophobicContact CE2-CB 4.03Å; F1061-E1088 HydrophobicContact CZ-CB 3.95Å; F1061-V1089 HydrophobicContact CD2-CG2 4.46Å; F1061-V1089 HydrophobicContact CE2-CG2 4.2Å; F1061-V1089 HydrophobicContact CZ-CG2 4.43Å; F1061-L1096 HydrophobicContact CD2-CD1 4.24Å; F1061-F1101 CarbonylContact O-C 3.59Å; F1061-A1102 HydrophobicContact CB-CB 4.01Å; F1061-A1102 VanDerWaalsContact O-CA 3.22Å; F1061-A1102 WeakPolarHBondContact O-CA 3.3Å; F1061-A1102 VanDerWaalsContact O-CB 3.3Å; F1061-A1102 WeakPolarHBondContact O-CB 3.46Å; F1061-A1102 PolarHBondContact O-N 2.89Å; F1061-V1105 HydrophobicContact CB-CG2 4.36Å; F1061-V1105 HydrophobicContact CD1-CG1 3.99Å; F1061-V1105 HydrophobicContact CG-CG1 4.42Å
1062K90.8Very high77.7Confident67 Ų6754.2 Ų54.229%0.29125%0.252SS..Hα-helixtrans-92-23.1-174.7-68.8163.1178.11640112.9D1058 A1059 L1060 L1096 H1099 F1101 A1102D1058-K1062 HydrophobicContact CB-CD 3.82Å; D1058-K1062 HydrophobicContact CB-CG 4.49Å; D1058-K1062 PolarHBondContact O-N 2.69Å; D1058-K1062 IonicContact OD2-NZ 3.64Å; D1058-K1062 PolarHBondContact OD2-NZ 2.99Å; A1059-K1062 PolarHBondContact O-N 2.88Å; L1060-K1062 VanDerWaalsContact C-N 3.28Å; L1060-K1062 PolarHBondContact O-N 3.45Å; K1062-L1096 VanDerWaalsContact CE-CD2 3.5Å; K1062-H1099 PolarHBondContact O-CE1 3.43Å; K1062-H1099 VanDerWaalsContact O-CE1 3.27Å; K1062-F1101 WeakPolarHBondContact O-CD2 3.4Å; K1062-A1102 HydrophobicContact CG-CB 4.4Å
1063D92.1Very high80.6Confident36 Ų3646.6 Ų46.619%0.19322%0.223CC..SBendtrans-68.8145.5177.3179.9-111.1000113.2T1002 A1059 Y1065 G1066 N1067T1002-D1063 WeakPolarHBondContact CA-OD1 3.23Å; T1002-D1063 HydrophobicContact CG2-CB 4.02Å; A1059-D1063 WeakPolarHBondContact O-CB 3.3Å; A1059-D1063 PolarHBondContact O-N 3.06Å; D1063-Y1065 VanDerWaalsContact C-N 3.25Å; D1063-Y1065 PolarHBondContact O-N 3.49Å; D1063-Y1065 WeakPolarHBondContact OD1-CA 3.3Å; D1063-Y1065 WeakPolarHBondContact OD1-CB 3.22Å; D1063-Y1065 PolarHBondContact OD1-N 2.74Å; D1063-G1066 PolarHBondContact OD1-N 2.9Å; D1063-N1067 WeakPolarHBondContact O-CB 3.49Å; D1063-N1067 PolarHBondContact O-N 2.89Å; D1063-N1067 PolarHBondContact O-ND2 3.37Å
1064Q93.7Very high83.3Confident94 Ų9437.7 Ų37.744%0.43919%0.188SC..THydrogen-bonded Turntrans-66.7-19.4-17868.6-173.4-36.200114.5N1067 Y1068 F1101Q1064-N1067 PolarHBondContact O-ND2 2.91Å; Q1064-Y1068 WeakPolarHBondContact O-CE2 3.39Å; Q1064-F1101 HydrophobicContact CB-CD1 4.39Å; Q1064-F1101 HydrophobicContact CB-CD2 4.29Å; Q1064-F1101 HydrophobicContact CB-CE1 3.85Å; Q1064-F1101 HydrophobicContact CB-CE2 3.74Å; Q1064-F1101 HydrophobicContact CB-CZ 3.49Å; Q1064-F1101 VanDerWaalsContact CB-CZ 3.49Å
1065Y94.8Very high86Confident72 Ų7234.7 Ų34.728%0.28217%0.165SC..THydrogen-bonded Turntrans-113.6-41.5176.5-55.4-56.6000112S1001 T1002 P1004 D1063 N1067 Y1068S1001-Y1065 CarbonylContact O-C 3.42Å; T1002-Y1065 WeakPolarHBondContact O-CD2 3.43Å; P1004-Y1065 HydrophobicContact CB-CD1 4.42Å; P1004-Y1065 HydrophobicContact CB-CD2 4.36Å; P1004-Y1065 HydrophobicContact CB-CE1 3.91Å; P1004-Y1065 HydrophobicContact CB-CE2 3.83Å; P1004-Y1065 HydrophobicContact CG-CE2 4.18Å; D1063-Y1065 VanDerWaalsContact C-N 3.25Å; D1063-Y1065 PolarHBondContact O-N 3.49Å; D1063-Y1065 WeakPolarHBondContact OD1-CA 3.3Å; D1063-Y1065 WeakPolarHBondContact OD1-CB 3.22Å; D1063-Y1065 PolarHBondContact OD1-N 2.74Å; Y1065-N1067 PolarHBondContact O-N 2.92Å; Y1065-Y1068 WeakPolarHBondContact O-CB 3.49Å; Y1065-Y1068 PolarHBondContact O-N 2.69Å
1066G93.8Very high88.1Confident0 Ų038.8 Ų38.80%018%0.182CC..Hα-helixtrans-56.7-35.2178.500000113.1S1001 L1060 D1063 Y1068 V1069 I1070S1001-G1066 WeakPolarHBondContact O-CA 3.17Å; S1001-G1066 PolarHBondContact O-N 2.84Å; L1060-G1066 CarbonylContact O-C 3.34Å; D1063-G1066 PolarHBondContact OD1-N 2.9Å; G1066-Y1068 PolarHBondContact O-N 3.42Å; G1066-Y1068 VanDerWaalsContact O-N 3.13Å; G1066-V1069 WeakPolarHBondContact O-CB 3.49Å; G1066-V1069 PolarHBondContact O-N 3.26Å; G1066-I1070 PolarHBondContact O-N 2.99Å; G1066-I1070 VanDerWaalsContact O-N 3.09Å
1067N95.3Very high89.8Confident1 Ų137.1 Ų37.11%0.00517%0.174CC..Hα-helixtrans-59.1-29.4178.577.393000112.5L1060 D1063 Q1064 Y1065 Q1071 F1101 V1105L1060-N1067 WeakPolarHBondContact O-CA 3.4Å; L1060-N1067 PolarHBondContact O-N 3.23Å; D1063-N1067 WeakPolarHBondContact O-CB 3.49Å; D1063-N1067 PolarHBondContact O-N 2.89Å; D1063-N1067 PolarHBondContact O-ND2 3.37Å; Q1064-N1067 PolarHBondContact O-ND2 2.91Å; Y1065-N1067 PolarHBondContact O-N 2.92Å; N1067-Q1071 WeakPolarHBondContact O-CB 3.35Å; N1067-Q1071 WeakPolarHBondContact O-CG 3.36Å; N1067-Q1071 PolarHBondContact O-N 2.88Å; N1067-Q1071 PolarHBondContact O-NE2 3.4Å; N1067-Q1071 PolarHBondContact OD1-NE2 2.77Å; N1067-F1101 HydrophobicContact CB-CB 4.14Å; N1067-V1105 HydrophobicContact CB-CG2 3.99Å
1068Y97.1Very high91.3Very high123 Ų12335 Ų3548%0.48217%0.166SC..Hα-helixtrans-73.8-35.5175.9-66.5-73.2000112.2Q1064 Y1065 G1066 Q1071 H1072Q1064-Y1068 WeakPolarHBondContact O-CE2 3.39Å; Y1065-Y1068 WeakPolarHBondContact O-CB 3.49Å; Y1065-Y1068 PolarHBondContact O-N 2.69Å; G1066-Y1068 PolarHBondContact O-N 3.42Å; G1066-Y1068 VanDerWaalsContact O-N 3.13Å; Y1068-Q1071 PolarHBondContact O-N 3.28Å; Y1068-H1072 VanDerWaalsContact O-CB 3.3Å; Y1068-H1072 WeakPolarHBondContact O-CB 3.48Å; Y1068-H1072 PolarHBondContact O-N 3.42Å
1069V95.7Very high92.4Very high0 Ų039.5 Ų39.50%020%0.195CC..Hα-helixtrans-64.9-44.2175.2-173.20000110.4C1007 I1010 L1014 L1029 G1066 H1072 V1073C1007-V1069 HydrophobicContact CB-CG2 3.79Å; I1010-V1069 HydrophobicContact CB-CG1 4.46Å; I1010-V1069 HydrophobicContact CG2-CG1 3.52Å; I1010-V1069 HydrophobicContact CG2-CG2 4.43Å; L1014-V1069 HydrophobicContact CD1-CG1 4.33Å; L1029-V1069 HydrophobicContact CD1-CG1 3.58Å; G1066-V1069 WeakPolarHBondContact O-CB 3.49Å; G1066-V1069 PolarHBondContact O-N 3.26Å; V1069-H1072 WeakPolarHBondContact O-CB 3.44Å; V1069-H1072 PolarHBondContact O-N 3.03Å; V1069-V1073 PolarHBondContact O-N 3.08Å
1070I95.1Very high92.9Very high3 Ų343.5 Ų43.52%0.01521%0.21CC..Hα-helixtrans-64.9-44.5176.9-55.9-59.2000111.4L1029 L1060 F1061 G1066 H1072 V1073 L1074 I1085 V1105L1029-I1070 HydrophobicContact CD1-CD1 4.25Å; L1029-I1070 HydrophobicContact CD2-CD1 3.81Å; L1029-I1070 HydrophobicContact CG-CD1 4.23Å; L1060-I1070 HydrophobicContact CB-CD1 3.93Å; L1060-I1070 HydrophobicContact CB-CG1 3.86Å; L1060-I1070 HydrophobicContact CD1-CD1 4.1Å; F1061-I1070 HydrophobicContact CD1-CB 4.25Å; F1061-I1070 HydrophobicContact CD1-CD1 4.5Å; F1061-I1070 HydrophobicContact CD1-CG1 3.89Å; F1061-I1070 HydrophobicContact CD1-CG2 3.74Å; F1061-I1070 HydrophobicContact CE1-CB 4.49Å; F1061-I1070 HydrophobicContact CE1-CD1 4.24Å; F1061-I1070 HydrophobicContact CE1-CG1 4.1Å; F1061-I1070 HydrophobicContact CE1-CG2 3.7Å; G1066-I1070 PolarHBondContact O-N 2.99Å; G1066-I1070 VanDerWaalsContact O-N 3.09Å; I1070-H1072 VanDerWaalsContact C-N 3.25Å; I1070-H1072 PolarHBondContact O-N 2.8Å; I1070-V1073 PolarHBondContact O-N 2.93Å; I1070-L1074 HydrophobicContact CG2-CD1 4.2Å; I1070-L1074 WeakPolarHBondContact O-CG 3.39Å; I1070-L1074 PolarHBondContact O-N 3.19Å; I1070-I1085 HydrophobicContact CG2-CD1 4.05Å; I1070-I1085 HydrophobicContact CG2-CG1 4.33Å; I1070-I1085 HydrophobicContact CG2-CG2 3.65Å; I1070-V1105 HydrophobicContact CB-CG2 4.5Å; I1070-V1105 HydrophobicContact CG2-CG1 3.67Å; I1070-V1105 HydrophobicContact CG2-CG2 4.48Å
1071Q95.8Very high93Very high21 Ų2143.1 Ų43.110%0.09821%0.208CC..Hα-helixtrans-60.1-37.3174.5-73.1175.786.400111.8N1067 Y1068 L1074 E1075 V1105 K1108N1067-Q1071 WeakPolarHBondContact O-CB 3.35Å; N1067-Q1071 WeakPolarHBondContact O-CG 3.36Å; N1067-Q1071 PolarHBondContact O-N 2.88Å; N1067-Q1071 PolarHBondContact O-NE2 3.4Å; N1067-Q1071 PolarHBondContact OD1-NE2 2.77Å; Y1068-Q1071 PolarHBondContact O-N 3.28Å; Q1071-L1074 WeakPolarHBondContact O-CB 3.43Å; Q1071-L1074 PolarHBondContact O-N 2.76Å; Q1071-E1075 WeakPolarHBondContact O-CG 3.25Å; Q1071-E1075 PolarHBondContact O-N 3.05Å; Q1071-V1105 HydrophobicContact CG-CG2 4.16Å; Q1071-K1108 HydrophobicContact CB-CG 3.97Å; Q1071-K1108 HydrophobicContact CG-CB 4.27Å; Q1071-K1108 HydrophobicContact CG-CG 3.63Å
1072H95.5Very high93.1Very high7 Ų744.3 Ų44.33%0.03221%0.213CC..Hα-helixtrans-63.7-43.2176.2-173.388.8000112.4Q1011 E1015 Y1068 V1069 I1070 L1074 E1075 H1076Q1011-H1072 HydrophobicContact CG-CB 3.94Å; E1015-H1072 WeakPolarHBondContact CG-CE1 3.43Å; E1015-H1072 WeakPolarHBondContact CG-NE2 3.38Å; E1015-H1072 IonicContact OE1-CE1 3.74Å; E1015-H1072 PolarHBondContact OE1-CE1 2.92Å; E1015-H1072 IonicContact OE1-ND1 2.77Å; E1015-H1072 PolarHBondContact OE1-ND1 2.76Å; E1015-H1072 IonicContact OE1-NE2 2.71Å; Y1068-H1072 VanDerWaalsContact O-CB 3.3Å; Y1068-H1072 WeakPolarHBondContact O-CB 3.48Å; Y1068-H1072 PolarHBondContact O-N 3.42Å; V1069-H1072 WeakPolarHBondContact O-CB 3.44Å; V1069-H1072 PolarHBondContact O-N 3.03Å; I1070-H1072 VanDerWaalsContact C-N 3.25Å; I1070-H1072 PolarHBondContact O-N 2.8Å; H1072-L1074 VanDerWaalsContact C-N 3.33Å; H1072-L1074 PolarHBondContact O-N 3.28Å; H1072-E1075 PolarHBondContact O-N 3.48Å; H1072-H1076 AromaticContact CD2-ND1 3.98Å; H1072-H1076 AromaticContact CE1-CE1 3.77Å; H1072-H1076 AromaticContact CE1-CG 3.8Å; H1072-H1076 AromaticContact CE1-ND1 3.06Å; H1072-H1076 PolarHBondContact CE1-ND1 3.19Å; H1072-H1076 AromaticContact CG-ND1 3.91Å; H1072-H1076 AromaticContact ND1-CE1 3.93Å; H1072-H1076 AromaticContact ND1-ND1 3.37Å; H1072-H1076 PolarHBondContact ND1-ND1 3.5Å; H1072-H1076 AromaticContact NE2-CG 3.87Å; H1072-H1076 AromaticContact NE2-ND1 3.45Å; H1072-H1076 PolarHBondContact NE2-ND1 3.38Å; H1072-H1076 PolarHBondContact O-N 3.26Å; H1072-H1076 PolarHBondContact O-ND1 2.96Å
1073V94.3Very high93.2Very high1 Ų143.4 Ų43.41%0.00622%0.215CC..Hα-helixtrans-63.9-38.6173.6179.70000111.1L1014 L1026 V1069 I1070 E1075 G1077 D1081 K1082 I1085L1014-V1073 HydrophobicContact CD1-CG2 3.82Å; L1026-V1073 HydrophobicContact CD2-CG1 4Å; L1026-V1073 HydrophobicContact CD2-CG2 3.69Å; V1069-V1073 PolarHBondContact O-N 3.08Å; I1070-V1073 PolarHBondContact O-N 2.93Å; V1073-E1075 VanDerWaalsContact C-N 3.31Å; V1073-E1075 PolarHBondContact O-N 3.29Å; V1073-G1077 VanDerWaalsContact O-CA 3.25Å; V1073-G1077 WeakPolarHBondContact O-CA 3.48Å; V1073-G1077 PolarHBondContact O-N 3.26Å; V1073-D1081 HydrophobicContact CG1-CB 3.94Å; V1073-K1082 WeakPolarHBondContact O-CE 3.33Å; V1073-I1085 HydrophobicContact CB-CD1 3.83Å; V1073-I1085 HydrophobicContact CG1-CD1 3.57Å
1074L94.1Very high93.1Very high0 Ų045.6 Ų45.60%022%0.223CC..Hα-helixtrans-64.8-32.4174.1-71.6167.3000112.8I1070 Q1071 H1072 K1082 I1085 V1086 V1105 K1108 C1109 H1112I1070-L1074 HydrophobicContact CG2-CD1 4.2Å; I1070-L1074 WeakPolarHBondContact O-CG 3.39Å; I1070-L1074 PolarHBondContact O-N 3.19Å; Q1071-L1074 WeakPolarHBondContact O-CB 3.43Å; Q1071-L1074 PolarHBondContact O-N 2.76Å; H1072-L1074 VanDerWaalsContact C-N 3.33Å; H1072-L1074 PolarHBondContact O-N 3.28Å; L1074-K1082 HydrophobicContact CD2-CB 4.27Å; L1074-K1082 VanDerWaalsContact O-CD 3.3Å; L1074-K1082 WeakPolarHBondContact O-CD 3.39Å; L1074-K1082 WeakPolarHBondContact O-CE 3.41Å; L1074-K1082 PolarHBondContact O-NZ 2.97Å; L1074-I1085 HydrophobicContact CD1-CG2 4Å; L1074-I1085 HydrophobicContact CD2-CB 4.14Å; L1074-I1085 HydrophobicContact CD2-CD1 4.38Å; L1074-I1085 HydrophobicContact CD2-CG2 3.87Å; L1074-I1085 HydrophobicContact CG-CD1 4.24Å; L1074-I1085 HydrophobicContact CG-CG2 4.07Å; L1074-V1086 HydrophobicContact CD2-CG2 4.38Å; L1074-V1105 HydrophobicContact CD1-CG1 3.92Å; L1074-K1108 HydrophobicContact CB-CB 4.06Å; L1074-K1108 HydrophobicContact CD1-CB 3.77Å; L1074-C1109 VanDerWaalsContact CD1-SG 3.55Å; L1074-H1112 WeakPolarHBondContact O-CB 3.1Å
1075E94.3Very high92.9Very high63 Ų6341.2 Ų41.229%0.29420%0.202SC..Hα-helixtrans-77.3-60.3175.5-73.6174.5161.800112Q1071 H1072 V1073 K1082 K1108Q1071-E1075 WeakPolarHBondContact O-CG 3.25Å; Q1071-E1075 PolarHBondContact O-N 3.05Å; H1072-E1075 PolarHBondContact O-N 3.48Å; V1073-E1075 VanDerWaalsContact C-N 3.31Å; V1073-E1075 PolarHBondContact O-N 3.29Å; E1075-K1082 PolarHBondContact O-NZ 3.37Å; E1075-K1108 HydrophobicContact CG-CD 4.32Å; E1075-K1108 WeakPolarHBondContact OE1-CE 3.26Å; E1075-K1108 IonicContact OE1-NZ 2.76Å; E1075-K1108 PolarHBondContact OE1-NZ 3.47Å
1076H89.5Confident92.9Very high124 Ų12438.1 Ų38.157%0.57419%0.191SC*.Hα-helixtrans-107.1-16.4-164.2-51.199.1000114.5H1072H1072-H1076 AromaticContact CD2-ND1 3.98Å; H1072-H1076 AromaticContact CE1-CE1 3.77Å; H1072-H1076 AromaticContact CE1-CG 3.8Å; H1072-H1076 AromaticContact CE1-ND1 3.06Å; H1072-H1076 PolarHBondContact CE1-ND1 3.19Å; H1072-H1076 AromaticContact CG-ND1 3.91Å; H1072-H1076 AromaticContact ND1-CE1 3.93Å; H1072-H1076 AromaticContact ND1-ND1 3.37Å; H1072-H1076 PolarHBondContact ND1-ND1 3.5Å; H1072-H1076 AromaticContact NE2-CG 3.87Å; H1072-H1076 AromaticContact NE2-ND1 3.45Å; H1072-H1076 PolarHBondContact NE2-ND1 3.38Å; H1072-H1076 PolarHBondContact O-N 3.26Å; H1072-H1076 PolarHBondContact O-ND1 2.96Å
1077G88.5Confident92.7Very high24 Ų2441.4 Ų41.425%0.24722%0.218CC..SBendtrans-69.3174.7-177.100000114.9V1073 K1082V1073-G1077 VanDerWaalsContact O-CA 3.25Å; V1073-G1077 WeakPolarHBondContact O-CA 3.48Å; V1073-G1077 PolarHBondContact O-N 3.26Å; G1077-K1082 WeakPolarHBondContact O-CE 3.45Å
1078R89.3Confident92.4Very high51 Ų5143.1 Ų43.119%0.19223%0.226CC..  trans-72.4149.7179-52.7179.1-55.7129.711110.9E1080 D1081 K1082R1078-E1080 VanDerWaalsContact C-N 3.27Å; R1078-E1080 IonicContact CZ-OE1 3.51Å; R1078-E1080 IonicContact CZ-OE2 2.8Å; R1078-E1080 IonicContact NH1-OE1 3.63Å; R1078-E1080 PolarHBondContact NH1-OE1 3.06Å; R1078-E1080 IonicContact NH1-OE2 2.71Å; R1078-E1080 PolarHBondContact NH1-OE2 3.12Å; R1078-E1080 IonicContact NH2-OE2 2.69Å; R1078-E1080 PolarHBondContact NH2-OE2 3.44Å; R1078-E1080 PolarHBondContact O-N 2.94Å; R1078-D1081 IonicContact CZ-OD2 3.94Å; R1078-D1081 VanDerWaalsContact CZ-OD2 3.23Å; R1078-D1081 IonicContact NE-OD2 2.67Å; R1078-D1081 PolarHBondContact NE-OD2 2.93Å; R1078-D1081 IonicContact NH2-OD1 2.7Å; R1078-D1081 PolarHBondContact NH2-OD1 3.06Å; R1078-D1081 IonicContact NH2-OD2 2.72Å; R1078-D1081 PolarHBondContact NH2-OD2 3.25Å; R1078-D1081 PolarHBondContact O-N 3.22Å; R1078-K1082 PolarHBondContact O-N 2.82Å
1079P91.9Very high92.1Very high104 Ų10437.3 Ų37.368%0.67520%0.203SC*.Hα-helixtrans-51.5-42.4179-28.535.9000113.9D1081 K1082 S1083P1079-D1081 VanDerWaalsContact C-N 3.28Å; P1079-D1081 PolarHBondContact O-N 3.46Å; P1079-K1082 WeakPolarHBondContact O-CB 3.35Å; P1079-K1082 PolarHBondContact O-N 3.14Å; P1079-K1082 VanDerWaalsContact O-N 3.15Å; P1079-S1083 PolarHBondContact O-N 2.86Å; P1079-S1083 PolarHBondContact O-OG 3.23Å
1080E90.8Very high92Very high109 Ų10944 Ų4451%0.50923%0.228SC..Hα-helixtrans-51-44.7174.9-64.5158-127.100113.2R1078 S1083 K1084R1078-E1080 VanDerWaalsContact C-N 3.27Å; R1078-E1080 IonicContact CZ-OE1 3.51Å; R1078-E1080 IonicContact CZ-OE2 2.8Å; R1078-E1080 IonicContact NH1-OE1 3.63Å; R1078-E1080 PolarHBondContact NH1-OE1 3.06Å; R1078-E1080 IonicContact NH1-OE2 2.71Å; R1078-E1080 PolarHBondContact NH1-OE2 3.12Å; R1078-E1080 IonicContact NH2-OE2 2.69Å; R1078-E1080 PolarHBondContact NH2-OE2 3.44Å; R1078-E1080 PolarHBondContact O-N 2.94Å; E1080-S1083 PolarHBondContact O-N 3.21Å; E1080-K1084 WeakPolarHBondContact O-CG 3.33Å; E1080-K1084 PolarHBondContact O-N 3.48Å; E1080-K1084 VanDerWaalsContact O-N 3.12Å
1081D89.8Confident91.8Very high1 Ų146.4 Ų46.41%0.00525%0.254CS..Hα-helixtrans-77.7-29.5-176.4-62.1-55.9000111.7H1030 V1073 R1078 P1079 K1084 I1085H1030-D1081 IonicContact CD2-OD1 3.62Å; H1030-D1081 IonicContact CE1-OD1 2.66Å; H1030-D1081 IonicContact NE2-OD1 3.74Å; H1030-D1081 PolarHBondContact NE2-OD1 3.45Å; V1073-D1081 HydrophobicContact CG1-CB 3.94Å; R1078-D1081 IonicContact CZ-OD2 3.94Å; R1078-D1081 VanDerWaalsContact CZ-OD2 3.23Å; R1078-D1081 IonicContact NE-OD2 2.67Å; R1078-D1081 PolarHBondContact NE-OD2 2.93Å; R1078-D1081 IonicContact NH2-OD1 2.7Å; R1078-D1081 PolarHBondContact NH2-OD1 3.06Å; R1078-D1081 IonicContact NH2-OD2 2.72Å; R1078-D1081 PolarHBondContact NH2-OD2 3.25Å; R1078-D1081 PolarHBondContact O-N 3.22Å; P1079-D1081 VanDerWaalsContact C-N 3.28Å; P1079-D1081 PolarHBondContact O-N 3.46Å; D1081-K1084 IonicContact OD1-NZ 3.94Å; D1081-K1084 PolarHBondContact OD1-NZ 3.14Å; D1081-I1085 WeakPolarHBondContact O-CD1 3.47Å; D1081-I1085 WeakPolarHBondContact O-CG1 3.42Å; D1081-I1085 PolarHBondContact O-N 3.35Å
1082K92.2Very high91.7Very high30 Ų3048.3 Ų48.313%0.1326%0.262CS..Hα-helixtrans-66.3-43.6168.8-54.2-171.8-170.4-159.60111V1073 L1074 E1075 G1077 R1078 P1079 K1084 I1085 V1086V1073-K1082 WeakPolarHBondContact O-CE 3.33Å; L1074-K1082 HydrophobicContact CD2-CB 4.27Å; L1074-K1082 VanDerWaalsContact O-CD 3.3Å; L1074-K1082 WeakPolarHBondContact O-CD 3.39Å; L1074-K1082 WeakPolarHBondContact O-CE 3.41Å; L1074-K1082 PolarHBondContact O-NZ 2.97Å; E1075-K1082 PolarHBondContact O-NZ 3.37Å; G1077-K1082 WeakPolarHBondContact O-CE 3.45Å; R1078-K1082 PolarHBondContact O-N 2.82Å; P1079-K1082 WeakPolarHBondContact O-CB 3.35Å; P1079-K1082 PolarHBondContact O-N 3.14Å; P1079-K1082 VanDerWaalsContact O-N 3.15Å; K1082-K1084 PolarHBondContact O-N 3.29Å; K1082-I1085 PolarHBondContact O-N 3.14Å; K1082-V1086 VanDerWaalsContact O-CG2 3.26Å; K1082-V1086 WeakPolarHBondContact O-CG2 3.42Å; K1082-V1086 PolarHBondContact O-N 2.61Å
1083S93.1Very high91.7Very high47 Ų4748 Ų4833%0.32926%0.26SS..Hα-helixtrans-62.3-39178.4-65.60000112.7P1079 E1080 V1086 A1087 E1117P1079-S1083 PolarHBondContact O-N 2.86Å; P1079-S1083 PolarHBondContact O-OG 3.23Å; E1080-S1083 PolarHBondContact O-N 3.21Å; S1083-V1086 PolarHBondContact O-N 2.9Å; S1083-A1087 WeakPolarHBondContact O-CB 3.49Å; S1083-A1087 PolarHBondContact O-N 3.49Å; S1083-E1117 VanDerWaalsContact CA-OE1 3.24Å; S1083-E1117 WeakPolarHBondContact CA-OE1 3.17Å; S1083-E1117 WeakPolarHBondContact CB-OE1 3.45Å; S1083-E1117 PolarHBondContact OG-OE1 3.25Å
1084K89.9Confident91.8Very high83 Ų8348.5 Ų48.536%0.36126%0.263SS..Hα-helixtrans-57.7-52.8171.5-68.1166.8-165.71670111.4H1030 E1080 D1081 K1082 V1086 A1087 E1088H1030-K1084 WeakPolarHBondContact NE2-CD 3.24Å; E1080-K1084 WeakPolarHBondContact O-CG 3.33Å; E1080-K1084 PolarHBondContact O-N 3.48Å; E1080-K1084 VanDerWaalsContact O-N 3.12Å; D1081-K1084 IonicContact OD1-NZ 3.94Å; D1081-K1084 PolarHBondContact OD1-NZ 3.14Å; K1082-K1084 PolarHBondContact O-N 3.29Å; K1084-V1086 VanDerWaalsContact C-N 3.33Å; K1084-V1086 PolarHBondContact O-N 3.46Å; K1084-A1087 WeakPolarHBondContact O-CB 3.42Å; K1084-A1087 PolarHBondContact O-N 2.93Å; K1084-E1088 PolarHBondContact O-N 3.41Å; K1084-E1088 VanDerWaalsContact O-N 3.08Å
1085I91.3Very high91.8Very high2 Ų252.8 Ų52.81%0.0129%0.289CS..Hα-helixtrans-60.3-42.6179.7-65.8161.7000111.2F1061 I1070 V1073 L1074 D1081 K1082 E1088 V1089F1061-I1085 HydrophobicContact CE1-CG2 4.08Å; F1061-I1085 HydrophobicContact CZ-CG2 4.44Å; I1070-I1085 HydrophobicContact CG2-CD1 4.05Å; I1070-I1085 HydrophobicContact CG2-CG1 4.33Å; I1070-I1085 HydrophobicContact CG2-CG2 3.65Å; V1073-I1085 HydrophobicContact CB-CD1 3.83Å; V1073-I1085 HydrophobicContact CG1-CD1 3.57Å; L1074-I1085 HydrophobicContact CD1-CG2 4Å; L1074-I1085 HydrophobicContact CD2-CB 4.14Å; L1074-I1085 HydrophobicContact CD2-CD1 4.38Å; L1074-I1085 HydrophobicContact CD2-CG2 3.87Å; L1074-I1085 HydrophobicContact CG-CD1 4.24Å; L1074-I1085 HydrophobicContact CG-CG2 4.07Å; D1081-I1085 WeakPolarHBondContact O-CD1 3.47Å; D1081-I1085 WeakPolarHBondContact O-CG1 3.42Å; D1081-I1085 PolarHBondContact O-N 3.35Å; K1082-I1085 PolarHBondContact O-N 3.14Å; I1085-E1088 PolarHBondContact O-N 3.32Å; I1085-V1089 WeakPolarHBondContact O-CG2 3.16Å; I1085-V1089 PolarHBondContact O-N 3.26Å
1086V93.2Very high91.9Very high7 Ų749.9 Ų49.94%0.04228%0.275CS..Hα-helixtrans-67.1-37178.7173.70000111.9L1074 K1082 S1083 K1084 E1088 V1089 R1090 C1109 E1117 L1121L1074-V1086 HydrophobicContact CD2-CG2 4.38Å; K1082-V1086 VanDerWaalsContact O-CG2 3.26Å; K1082-V1086 WeakPolarHBondContact O-CG2 3.42Å; K1082-V1086 PolarHBondContact O-N 2.61Å; S1083-V1086 PolarHBondContact O-N 2.9Å; K1084-V1086 VanDerWaalsContact C-N 3.33Å; K1084-V1086 PolarHBondContact O-N 3.46Å; V1086-E1088 VanDerWaalsContact C-N 3.32Å; V1086-E1088 PolarHBondContact O-N 2.9Å; V1086-V1089 PolarHBondContact O-N 2.88Å; V1086-R1090 PolarHBondContact O-N 2.95Å; V1086-C1109 HydrophobicContact CG2-CB 4.09Å; V1086-E1117 HydrophobicContact CG1-CB 4.03Å; V1086-E1117 HydrophobicContact CG1-CG 4.35Å; V1086-L1121 HydrophobicContact CG1-CD1 3.93Å; V1086-L1121 HydrophobicContact CG1-CD2 4.25Å; V1086-L1121 HydrophobicContact CG1-CG 4.19Å
1087A90.9Very high92.3Very high68 Ų6844 Ų4456%0.56225%0.248SC*.Hα-helixtrans-63.7-35.5173.700000112.4S1083 K1084S1083-A1087 WeakPolarHBondContact O-CB 3.49Å; S1083-A1087 PolarHBondContact O-N 3.49Å; K1084-A1087 WeakPolarHBondContact O-CB 3.42Å; K1084-A1087 PolarHBondContact O-N 2.93Å
1088E88.1Confident92.6Very high38 Ų3846.2 Ų46.218%0.17825%0.252CS..Hα-helixtrans-74.7-27.5174.4-68.3-157.6129.300113.9R1057 F1061 K1084 I1085 V1086 K1092R1057-E1088 WeakPolarHBondContact CD-OE1 3.25Å; R1057-E1088 IonicContact NE-OE1 2.62Å; R1057-E1088 PolarHBondContact NE-OE1 3.02Å; R1057-E1088 VanDerWaalsContact NE-OE1 3.12Å; F1061-E1088 HydrophobicContact CE2-CB 4.03Å; F1061-E1088 HydrophobicContact CZ-CB 3.95Å; K1084-E1088 PolarHBondContact O-N 3.41Å; K1084-E1088 VanDerWaalsContact O-N 3.08Å; I1085-E1088 PolarHBondContact O-N 3.32Å; V1086-E1088 VanDerWaalsContact C-N 3.32Å; V1086-E1088 PolarHBondContact O-N 2.9Å; E1088-K1092 WeakPolarHBondContact O-CD 3.47Å; E1088-K1092 WeakPolarHBondContact O-CE 3.33Å; E1088-K1092 PolarHBondContact O-NZ 3.42Å
1089V91.8Very high93Very high0 Ų047 Ų470%026%0.257CS..Hα-helixtrans-76.8-28.9175.1167.10000112.2F1061 I1085 V1086 K1092 V1093 L1096 V1106 L1121F1061-V1089 HydrophobicContact CD2-CG2 4.46Å; F1061-V1089 HydrophobicContact CE2-CG2 4.2Å; F1061-V1089 HydrophobicContact CZ-CG2 4.43Å; I1085-V1089 WeakPolarHBondContact O-CG2 3.16Å; I1085-V1089 PolarHBondContact O-N 3.26Å; V1086-V1089 PolarHBondContact O-N 2.88Å; V1089-K1092 PolarHBondContact O-N 3.08Å; V1089-V1093 HydrophobicContact CG1-CG2 4.14Å; V1089-V1093 PolarHBondContact O-N 2.88Å; V1089-L1096 HydrophobicContact CB-CD1 4.24Å; V1089-L1096 HydrophobicContact CG1-CD1 4.15Å; V1089-L1096 HydrophobicContact CG2-CD1 4Å; V1089-V1106 HydrophobicContact CG1-CG2 4.06Å; V1089-L1121 HydrophobicContact CG1-CD2 4.14Å
1090R92.4Very high93.2Very high142 Ų14247 Ų4754%0.53625%0.247SC..THydrogen-bonded Turntrans-62.4143.1177-168.9-178.9177.7-159.2-2.1111.8V1086 K1092 L1121 E1124V1086-R1090 PolarHBondContact O-N 2.95Å; R1090-K1092 PolarHBondContact O-N 3.35Å; R1090-L1121 HydrophobicContact CB-CD2 4.49Å; R1090-E1124 WeakPolarHBondContact CG-OE2 3.49Å
1091G90.8Very high93.5Very high53 Ų5344.3 Ų44.355%0.54623%0.234SC..THydrogen-bonded Turntrans78-6.9-172.500000114.1E1124G1091-E1124 VanDerWaalsContact CA-OE1 3.26Å; G1091-E1124 WeakPolarHBondContact CA-OE1 3.44Å; G1091-E1124 PolarHBondContact N-OE1 2.62Å; G1091-E1124 VanDerWaalsContact N-OE1 3.08Å; G1091-E1124 PolarHBondContact N-OE2 2.57Å
1092K93.2Very high93.8Very high60 Ų6044.2 Ų44.226%0.26123%0.233SC..  trans-126.56.5-174.8-50.9175.8-164150.50112.6D1058 E1088 V1089 R1090 L1094 V1095 L1096 E1124D1058-K1092 WeakPolarHBondContact OD1-CD 3.41Å; D1058-K1092 WeakPolarHBondContact OD1-CE 3.27Å; D1058-K1092 IonicContact OD1-NZ 2.72Å; D1058-K1092 PolarHBondContact OD1-NZ 3.04Å; E1088-K1092 WeakPolarHBondContact O-CD 3.47Å; E1088-K1092 WeakPolarHBondContact O-CE 3.33Å; E1088-K1092 PolarHBondContact O-NZ 3.42Å; V1089-K1092 PolarHBondContact O-N 3.08Å; R1090-K1092 PolarHBondContact O-N 3.35Å; K1092-L1094 VanDerWaalsContact C-N 3.31Å; K1092-L1094 PolarHBondContact O-N 3.06Å; K1092-V1095 PolarHBondContact O-N 3.16Å; K1092-L1096 HydrophobicContact CB-CD1 3.84Å; K1092-L1096 HydrophobicContact CB-CG 3.98Å; K1092-L1096 HydrophobicContact CD-CD1 4.45Å; K1092-L1096 PolarHBondContact O-N 2.84Å; K1092-E1124 PolarHBondContact N-OE1 2.83Å; K1092-E1124 VanDerWaalsContact N-OE1 3.12Å
1093V96Very high94.1Very high0 Ų043 Ų430%023%0.229CC..Hα-helixtrans-59.1-41.8-166.8178.50000111.6V1089 S1097 V1106 L1121 E1124 V1125 M1152V1089-V1093 HydrophobicContact CG1-CG2 4.14Å; V1089-V1093 PolarHBondContact O-N 2.88Å; V1093-S1097 WeakPolarHBondContact O-CB 3.4Å; V1093-S1097 PolarHBondContact O-N 3.04Å; V1093-S1097 PolarHBondContact O-OG 3.19Å; V1093-V1106 HydrophobicContact CG1-CG1 3.92Å; V1093-L1121 HydrophobicContact CG2-CD2 3.62Å; V1093-E1124 VanDerWaalsContact CB-OE1 3.32Å; V1093-E1124 WeakPolarHBondContact CB-OE1 3.47Å; V1093-E1124 HydrophobicContact CG2-CG 4.47Å; V1093-E1124 VanDerWaalsContact CG2-OE1 3.25Å; V1093-E1124 WeakPolarHBondContact CG2-OE1 3.26Å; V1093-E1124 PolarHBondContact N-OE1 2.95Å; V1093-V1125 HydrophobicContact CB-CG2 4.02Å; V1093-V1125 HydrophobicContact CG1-CG2 3.38Å; V1093-M1152 HydrophobicContact CG1-CE 3.89Å
1094L95.8Very high94.3Very high12 Ų1243.4 Ų43.46%0.06323%0.227CC..Hα-helixtrans-55.3-52.2174.1173.961.4000112.7K1092 S1097 Q1098 Q1128 D1130 A1135 M1139K1092-L1094 VanDerWaalsContact C-N 3.31Å; K1092-L1094 PolarHBondContact O-N 3.06Å; L1094-S1097 PolarHBondContact O-N 3.04Å; L1094-Q1098 VanDerWaalsContact CD1-NE2 3.28Å; L1094-Q1098 WeakPolarHBondContact O-CG 3.47Å; L1094-Q1098 PolarHBondContact O-N 2.81Å; L1094-Q1128 VanDerWaalsContact CB-OE1 3.27Å; L1094-D1130 HydrophobicContact CD2-CB 3.89Å; L1094-A1135 HydrophobicContact CB-CB 4.33Å; L1094-A1135 HydrophobicContact CD1-CB 4.06Å; L1094-A1135 HydrophobicContact CD2-CB 4.03Å; L1094-A1135 HydrophobicContact CG-CB 4.37Å; L1094-M1139 HydrophobicContact CD1-CG 3.53Å; L1094-M1139 HydrophobicContact CD1-SD 4.05Å
1095V94.8Very high94.7Very high91 Ų9139.5 Ų39.555%0.55221%0.21SC*.Hα-helixtrans-70.9-41.4-174.2-178.80000111.4K1092 Q1098K1092-V1095 PolarHBondContact O-N 3.16Å; V1095-Q1098 PolarHBondContact O-N 3.42Å
1096L95.8Very high95Very high1 Ų139.4 Ų39.41%0.00521%0.21CC..Hα-helixtrans-69.1-34.8177.2-63.9177.2000111.8D1058 F1061 K1062 V1089 K1092 Q1098 H1099 A1102 S1103 V1106D1058-L1096 HydrophobicContact CB-CD2 4.32Å; F1061-L1096 HydrophobicContact CD2-CD1 4.24Å; K1062-L1096 VanDerWaalsContact CE-CD2 3.5Å; V1089-L1096 HydrophobicContact CB-CD1 4.24Å; V1089-L1096 HydrophobicContact CG1-CD1 4.15Å; V1089-L1096 HydrophobicContact CG2-CD1 4Å; K1092-L1096 HydrophobicContact CB-CD1 3.84Å; K1092-L1096 HydrophobicContact CB-CG 3.98Å; K1092-L1096 HydrophobicContact CD-CD1 4.45Å; K1092-L1096 PolarHBondContact O-N 2.84Å; L1096-Q1098 VanDerWaalsContact C-N 3.3Å; L1096-Q1098 PolarHBondContact O-N 3.14Å; L1096-H1099 PolarHBondContact O-N 3.34Å; L1096-H1099 VanDerWaalsContact O-N 3.14Å; L1096-A1102 HydrophobicContact CB-CB 4.11Å; L1096-A1102 HydrophobicContact CD2-CB 3.96Å; L1096-A1102 CarbonylContact O-C 3.41Å; L1096-S1103 PolarHBondContact O-N 2.72Å; L1096-S1103 VanDerWaalsContact O-N 3.14Å; L1096-V1106 HydrophobicContact CB-CG2 3.63Å
1097S97.9Very high95.2Very high0 Ų040.2 Ų40.20%021%0.213CC..Hα-helixtrans-65.2-31.8176.3-61.60000113.3V1093 L1094 H1099 S1103 M1139 Y1144 A1145V1093-S1097 WeakPolarHBondContact O-CB 3.4Å; V1093-S1097 PolarHBondContact O-N 3.04Å; V1093-S1097 PolarHBondContact O-OG 3.19Å; L1094-S1097 PolarHBondContact O-N 3.04Å; S1097-H1099 PolarHBondContact O-N 3.46Å; S1097-S1103 WeakPolarHBondContact O-CB 3.38Å; S1097-M1139 WeakPolarHBondContact OG-CE 3.4Å; S1097-Y1144 CarbonylContact O-C 3.09Å; S1097-Y1144 WeakPolarHBondContact O-CB 3.36Å; S1097-A1145 VanDerWaalsContact O-CA 3.25Å; S1097-A1145 WeakPolarHBondContact O-CA 3.31Å; S1097-A1145 WeakPolarHBondContact O-CB 3.27Å; S1097-A1145 PolarHBondContact O-N 3.27Å; S1097-A1145 VanDerWaalsContact O-N 3.08Å
1098Q96.7Very high95.5Very high72 Ų7239.2 Ų39.234%0.33620%0.196SC..THydrogen-bonded Turntrans-77.9-3.7176.1-67.3175.819.300113.2L1094 V1095 L1096 D1142 Y1144 A1145L1094-Q1098 VanDerWaalsContact CD1-NE2 3.28Å; L1094-Q1098 WeakPolarHBondContact O-CG 3.47Å; L1094-Q1098 PolarHBondContact O-N 2.81Å; V1095-Q1098 PolarHBondContact O-N 3.42Å; L1096-Q1098 VanDerWaalsContact C-N 3.3Å; L1096-Q1098 PolarHBondContact O-N 3.14Å; Q1098-D1142 HydrophobicContact CG-CB 4.34Å; Q1098-Y1144 WeakPolarHBondContact O-CD2 3.49Å; Q1098-A1145 HydrophobicContact CG-CB 4.28Å
1099H96.6Very high96Very high66 Ų6637.4 Ų37.431%0.30619%0.187SC..SBendtrans-102.7123.2-175.3-171.3-100.3000112.4K1062 L1096 S1097 F1101 A1102 S1103K1062-H1099 PolarHBondContact O-CE1 3.43Å; K1062-H1099 VanDerWaalsContact O-CE1 3.27Å; L1096-H1099 PolarHBondContact O-N 3.34Å; L1096-H1099 VanDerWaalsContact O-N 3.14Å; S1097-H1099 PolarHBondContact O-N 3.46Å; H1099-F1101 PolarHBondContact O-N 3.12Å; H1099-A1102 HydrophobicContact CB-CB 4.08Å; H1099-A1102 PolarHBondContact O-N 3.15Å; H1099-S1103 WeakPolarHBondContact O-CB 3.35Å; H1099-S1103 PolarHBondContact O-N 3.19Å; H1099-S1103 PolarHBondContact O-OG 2.9Å
1100K96.3Very high96.2Very high104 Ų10437.4 Ų37.445%0.45219%0.187SC..THydrogen-bonded Turntrans-38.2-42-175-176.7178-175.2650116.3N1104 Y1144K1100-N1104 PolarHBondContact O-ND2 2.77Å; K1100-Y1144 HydrophobicContact CB-CD1 4.44Å; K1100-Y1144 HydrophobicContact CB-CD2 4.43Å; K1100-Y1144 HydrophobicContact CB-CE1 3.9Å; K1100-Y1144 HydrophobicContact CB-CE2 3.88Å; K1100-Y1144 HydrophobicContact CG-CE1 3.77Å
1101F96.8Very high96.5Very high53 Ų5332.8 Ų32.823%0.23217%0.173CC..THydrogen-bonded Turntrans-98.3-35-177.8-60-63.4000112.8F1061 K1062 Q1064 N1067 H1099 N1104F1061-F1101 CarbonylContact O-C 3.59Å; K1062-F1101 WeakPolarHBondContact O-CD2 3.4Å; Q1064-F1101 HydrophobicContact CB-CD1 4.39Å; Q1064-F1101 HydrophobicContact CB-CD2 4.29Å; Q1064-F1101 HydrophobicContact CB-CE1 3.85Å; Q1064-F1101 HydrophobicContact CB-CE2 3.74Å; Q1064-F1101 HydrophobicContact CB-CZ 3.49Å; Q1064-F1101 VanDerWaalsContact CB-CZ 3.49Å; N1067-F1101 HydrophobicContact CB-CB 4.14Å; H1099-F1101 PolarHBondContact O-N 3.12Å; F1101-N1104 WeakPolarHBondContact CA-ND2 3.03Å; F1101-N1104 PolarHBondContact O-ND2 3.41Å
1102A96.7Very high96.7Very high0 Ų033.2 Ų33.20%016%0.161CC..Hα-helixtrans-80.8-22.1-175.600000112.6F1061 K1062 L1096 H1099 N1104 V1105 V1106F1061-A1102 HydrophobicContact CB-CB 4.01Å; F1061-A1102 VanDerWaalsContact O-CA 3.22Å; F1061-A1102 WeakPolarHBondContact O-CA 3.3Å; F1061-A1102 VanDerWaalsContact O-CB 3.3Å; F1061-A1102 WeakPolarHBondContact O-CB 3.46Å; F1061-A1102 PolarHBondContact O-N 2.89Å; K1062-A1102 HydrophobicContact CG-CB 4.4Å; L1096-A1102 HydrophobicContact CB-CB 4.11Å; L1096-A1102 HydrophobicContact CD2-CB 3.96Å; L1096-A1102 CarbonylContact O-C 3.41Å; H1099-A1102 HydrophobicContact CB-CB 4.08Å; H1099-A1102 PolarHBondContact O-N 3.15Å; A1102-N1104 PolarHBondContact O-N 2.99Å; A1102-V1105 WeakPolarHBondContact O-CA 3.33Å; A1102-V1105 WeakPolarHBondContact O-CB 3.18Å; A1102-V1105 PolarHBondContact O-N 3.08Å; A1102-V1106 WeakPolarHBondContact O-CG2 3.48Å; A1102-V1106 PolarHBondContact O-N 2.75Å
1103S98.1Very high96.7Very high5 Ų530.8 Ų30.84%0.03515%0.151CC..Hα-helixtrans-55.2-38.8172.362.80000111.9L1096 S1097 H1099 V1106 E1107L1096-S1103 PolarHBondContact O-N 2.72Å; L1096-S1103 VanDerWaalsContact O-N 3.14Å; S1097-S1103 WeakPolarHBondContact O-CB 3.38Å; H1099-S1103 WeakPolarHBondContact O-CB 3.35Å; H1099-S1103 PolarHBondContact O-N 3.19Å; H1099-S1103 PolarHBondContact O-OG 2.9Å; S1103-V1106 PolarHBondContact O-N 2.92Å; S1103-E1107 PolarHBondContact O-N 3.28Å
1104N98.1Very high96.7Very high55 Ų5533.6 Ų33.629%0.29417%0.171SC..Hα-helixtrans-67.1-39176.5-42.5-81000111.3K1100 F1101 A1102 E1107 K1108K1100-N1104 PolarHBondContact O-ND2 2.77Å; F1101-N1104 WeakPolarHBondContact CA-ND2 3.03Å; F1101-N1104 PolarHBondContact O-ND2 3.41Å; A1102-N1104 PolarHBondContact O-N 2.99Å; N1104-E1107 PolarHBondContact O-N 3.19Å; N1104-K1108 WeakPolarHBondContact O-CG 3.44Å; N1104-K1108 PolarHBondContact O-N 3.22Å
1105V97.1Very high96.7Very high1 Ų141.9 Ų41.91%0.00620%0.201CC..Hα-helixtrans-62.1-46.2172.8-177.20000110.3F1061 N1067 I1070 Q1071 L1074 A1102 E1107 K1108 C1109F1061-V1105 HydrophobicContact CB-CG2 4.36Å; F1061-V1105 HydrophobicContact CD1-CG1 3.99Å; F1061-V1105 HydrophobicContact CG-CG1 4.42Å; N1067-V1105 HydrophobicContact CB-CG2 3.99Å; I1070-V1105 HydrophobicContact CB-CG2 4.5Å; I1070-V1105 HydrophobicContact CG2-CG1 3.67Å; I1070-V1105 HydrophobicContact CG2-CG2 4.48Å; Q1071-V1105 HydrophobicContact CG-CG2 4.16Å; L1074-V1105 HydrophobicContact CD1-CG1 3.92Å; A1102-V1105 WeakPolarHBondContact O-CA 3.33Å; A1102-V1105 WeakPolarHBondContact O-CB 3.18Å; A1102-V1105 PolarHBondContact O-N 3.08Å; V1105-E1107 PolarHBondContact O-N 3.35Å; V1105-K1108 CarbonylContact O-C 3.15Å; V1105-K1108 PolarHBondContact O-N 3.03Å; V1105-K1108 VanDerWaalsContact O-N 3.14Å; V1105-C1109 PolarHBondContact O-N 2.9Å; V1105-C1109 PolarHBondContact O-SG 2.75Å; V1105-C1109 VanDerWaalsContact O-SG 3.35Å
1106V97.9Very high96.7Very high0 Ų040.7 Ų40.70%020%0.201CC..Hα-helixtrans-62.2-40.9176.4-177.80000111.3V1089 V1093 L1096 A1102 S1103 K1108 C1109 V1110 V1148V1089-V1106 HydrophobicContact CG1-CG2 4.06Å; V1093-V1106 HydrophobicContact CG1-CG1 3.92Å; L1096-V1106 HydrophobicContact CB-CG2 3.63Å; A1102-V1106 WeakPolarHBondContact O-CG2 3.48Å; A1102-V1106 PolarHBondContact O-N 2.75Å; S1103-V1106 PolarHBondContact O-N 2.92Å; V1106-K1108 PolarHBondContact O-N 2.94Å; V1106-C1109 WeakPolarHBondContact O-CB 2.93Å; V1106-C1109 PolarHBondContact O-N 3.3Å; V1106-V1110 WeakPolarHBondContact O-CG2 3.24Å; V1106-V1110 PolarHBondContact O-N 2.82Å; V1106-V1148 HydrophobicContact CB-CG1 4.4Å; V1106-V1148 HydrophobicContact CB-CG2 4.28Å; V1106-V1148 HydrophobicContact CG1-CG1 3.59Å; V1106-V1148 HydrophobicContact CG1-CG2 4.34Å
1107E98.2Very high96.8Very high23 Ų2342.2 Ų42.211%0.10721%0.208CC..Hα-helixtrans-59-44.5172.2-77.5-164.1-113.600112.1S1103 N1104 V1105 V1110 I1111 Y1147 V1148 R1151S1103-E1107 PolarHBondContact O-N 3.28Å; N1104-E1107 PolarHBondContact O-N 3.19Å; V1105-E1107 PolarHBondContact O-N 3.35Å; E1107-V1110 PolarHBondContact O-N 3.48Å; E1107-I1111 WeakPolarHBondContact O-CD1 3.32Å; E1107-I1111 WeakPolarHBondContact O-CG1 3.25Å; E1107-I1111 PolarHBondContact O-N 3.28Å; E1107-Y1147 WeakPolarHBondContact OE1-CB 3.26Å; E1107-V1148 HydrophobicContact CG-CG2 4.06Å; E1107-R1151 HydrophobicContact CB-CG 4.28Å; E1107-R1151 HydrophobicContact CG-CB 3.98Å; E1107-R1151 HydrophobicContact CG-CG 4.21Å; E1107-R1151 IonicContact OE2-CZ 3.91Å; E1107-R1151 IonicContact OE2-NE 2.7Å; E1107-R1151 PolarHBondContact OE2-NE 3.33Å; E1107-R1151 IonicContact OE2-NH2 2.71Å; E1107-R1151 PolarHBondContact OE2-NH2 3.32Å
1108K97.6Very high96.7Very high47 Ų4743.8 Ų43.820%0.20421%0.214CC..Hα-helixtrans-67-36.8176.2-65.8-61.7177168.70112.7Q1071 L1074 E1075 N1104 V1105 V1106 V1110 I1111 H1112Q1071-K1108 HydrophobicContact CB-CG 3.97Å; Q1071-K1108 HydrophobicContact CG-CB 4.27Å; Q1071-K1108 HydrophobicContact CG-CG 3.63Å; L1074-K1108 HydrophobicContact CB-CB 4.06Å; L1074-K1108 HydrophobicContact CD1-CB 3.77Å; E1075-K1108 HydrophobicContact CG-CD 4.32Å; E1075-K1108 WeakPolarHBondContact OE1-CE 3.26Å; E1075-K1108 IonicContact OE1-NZ 2.76Å; E1075-K1108 PolarHBondContact OE1-NZ 3.47Å; N1104-K1108 WeakPolarHBondContact O-CG 3.44Å; N1104-K1108 PolarHBondContact O-N 3.22Å; V1105-K1108 CarbonylContact O-C 3.15Å; V1105-K1108 PolarHBondContact O-N 3.03Å; V1105-K1108 VanDerWaalsContact O-N 3.14Å; V1106-K1108 PolarHBondContact O-N 2.94Å; K1108-V1110 VanDerWaalsContact C-N 3.34Å; K1108-V1110 PolarHBondContact O-N 2.95Å; K1108-I1111 HydrophobicContact CD-CD1 4.28Å; K1108-I1111 PolarHBondContact O-N 3.49Å; K1108-H1112 WeakPolarHBondContact O-CB 3.49Å; K1108-H1112 PolarHBondContact O-CD2 3.16Å; K1108-H1112 PolarHBondContact O-N 2.61Å
1109C97.3Very high96.6Very high0 Ų041.6 Ų41.60%021%0.209CC..Hα-helixtrans-58.6-46.5170.8-71.10000110.8L1074 V1086 V1105 V1106 I1111 S1113 L1121L1074-C1109 VanDerWaalsContact CD1-SG 3.55Å; V1086-C1109 HydrophobicContact CG2-CB 4.09Å; V1105-C1109 PolarHBondContact O-N 2.9Å; V1105-C1109 PolarHBondContact O-SG 2.75Å; V1105-C1109 VanDerWaalsContact O-SG 3.35Å; V1106-C1109 WeakPolarHBondContact O-CB 2.93Å; V1106-C1109 PolarHBondContact O-N 3.3Å; C1109-I1111 PolarHBondContact O-N 2.84Å; C1109-S1113 WeakPolarHBondContact O-CB 3.14Å; C1109-S1113 PolarHBondContact O-N 3.29Å; C1109-S1113 VanDerWaalsContact O-N 3.16Å; C1109-S1113 PolarHBondContact O-OG 3.35Å; C1109-L1121 HydrophobicContact CB-CD1 3.81Å
1110V97.3Very high96.6Very high0 Ų042.2 Ų42.20%021%0.214CC..Hα-helixtrans-62.6-41.8176.8171.70000111.4V1106 E1107 K1108 R1118 L1121 R1151 M1152 M1155V1106-V1110 WeakPolarHBondContact O-CG2 3.24Å; V1106-V1110 PolarHBondContact O-N 2.82Å; E1107-V1110 PolarHBondContact O-N 3.48Å; K1108-V1110 VanDerWaalsContact C-N 3.34Å; K1108-V1110 PolarHBondContact O-N 2.95Å; V1110-R1118 HydrophobicContact CG1-CG 4.46Å; V1110-R1118 VanDerWaalsContact O-CD 3.28Å; V1110-R1118 WeakPolarHBondContact O-CD 3.3Å; V1110-R1118 PolarHBondContact O-NH1 2.85Å; V1110-L1121 HydrophobicContact CG2-CD1 4.49Å; V1110-R1151 HydrophobicContact CB-CG 4.38Å; V1110-R1151 HydrophobicContact CG1-CG 4.07Å; V1110-M1152 HydrophobicContact CG1-CG 4.27Å; V1110-M1152 HydrophobicContact CG2-CE 3.91Å; V1110-M1152 HydrophobicContact CG2-CG 4.02Å; V1110-M1155 HydrophobicContact CG1-CB 3.8Å; V1110-M1155 HydrophobicContact CG1-CG 4.06Å
1111I97Very high96.6Very high45 Ų4537.3 Ų37.323%0.23119%0.192CC..Hα-helixtrans-70.1-51.5-179.6-63156.4000112.5E1107 K1108 C1109 R1151 M1155E1107-I1111 WeakPolarHBondContact O-CD1 3.32Å; E1107-I1111 WeakPolarHBondContact O-CG1 3.25Å; E1107-I1111 PolarHBondContact O-N 3.28Å; K1108-I1111 HydrophobicContact CD-CD1 4.28Å; K1108-I1111 PolarHBondContact O-N 3.49Å; C1109-I1111 PolarHBondContact O-N 2.84Å; I1111-R1151 HydrophobicContact CD1-CG 4.3Å; I1111-R1151 HydrophobicContact CG1-CG 3.96Å; I1111-M1155 HydrophobicContact CG1-CG 4.38Å; I1111-M1155 HydrophobicContact CG1-SD 4.39Å
1112H95.4Very high96.5Very high63 Ų6334.9 Ų34.929%0.29218%0.182SC..Hα-helixtrans-104.2-4.8-161.5-59.6-85.1000115.2L1074 K1108L1074-H1112 WeakPolarHBondContact O-CB 3.1Å; K1108-H1112 WeakPolarHBondContact O-CB 3.49Å; K1108-H1112 PolarHBondContact O-CD2 3.16Å; K1108-H1112 PolarHBondContact O-N 2.61Å
1113S94.2Very high96.4Very high9 Ų938.4 Ų38.46%0.06320%0.201CC..SBendtrans-75.5163.8170.665.90000112.6C1109 R1118C1109-S1113 WeakPolarHBondContact O-CB 3.14Å; C1109-S1113 PolarHBondContact O-N 3.29Å; C1109-S1113 VanDerWaalsContact O-N 3.16Å; C1109-S1113 PolarHBondContact O-OG 3.35Å; S1113-R1118 PolarHBondContact O-NH1 3.13Å; S1113-R1118 PolarHBondContact OG-N 2.97Å
1114S95.9Very high96.3Very high59 Ų5939.4 Ų39.441%0.41321%0.205SC..  trans-61.1166.2174.6720000112A1116 E1117 R1118S1114-A1116 VanDerWaalsContact C-N 3.31Å; S1114-A1116 PolarHBondContact O-N 2.96Å; S1114-E1117 WeakPolarHBondContact CB-OE2 3.48Å; S1114-E1117 PolarHBondContact N-OE2 3.24Å; S1114-E1117 PolarHBondContact O-N 2.87Å; S1114-E1117 WeakPolarHBondContact OG-CB 3.06Å; S1114-E1117 VanDerWaalsContact OG-CD 3.24Å; S1114-E1117 VanDerWaalsContact OG-CG 3.29Å; S1114-E1117 WeakPolarHBondContact OG-CG 3.32Å; S1114-E1117 PolarHBondContact OG-N 3.29Å; S1114-E1117 PolarHBondContact OG-OE2 2.94Å; S1114-R1118 WeakPolarHBondContact O-CB 3.03Å; S1114-R1118 PolarHBondContact O-N 3.43Å
1115R94.9Very high96.1Very high185 Ų18536.9 Ų36.970%0.69819%0.191SC*.Hα-helixtrans-58.8-42.3179.5-63.9179.2-175.1-167.85.2112A1119 E1157R1115-A1119 VanDerWaalsContact O-CB 3.24Å; R1115-A1119 WeakPolarHBondContact O-CB 3.36Å; R1115-A1119 PolarHBondContact O-N 3.45Å; R1115-E1157 WeakPolarHBondContact CD-OE1 3.24Å
1116A95.7Very high95.8Very high66 Ų6637 Ų3755%0.54519%0.192SC..Hα-helixtrans-67.6-43.517900000112.5S1114 A1119 L1120S1114-A1116 VanDerWaalsContact C-N 3.31Å; S1114-A1116 PolarHBondContact O-N 2.96Å; A1116-A1119 WeakPolarHBondContact O-CB 3.49Å; A1116-A1119 PolarHBondContact O-N 3.21Å; A1116-L1120 WeakPolarHBondContact O-CG 3.46Å; A1116-L1120 PolarHBondContact O-N 3.28Å
1117E96.3Very high95.4Very high34 Ų3440.8 Ų40.816%0.15922%0.218CC..Hα-helixtrans-64.7-48.9178.7-74.1165136.600112.4S1083 V1086 S1114 A1119 L1120 L1121S1083-E1117 VanDerWaalsContact CA-OE1 3.24Å; S1083-E1117 WeakPolarHBondContact CA-OE1 3.17Å; S1083-E1117 WeakPolarHBondContact CB-OE1 3.45Å; S1083-E1117 PolarHBondContact OG-OE1 3.25Å; V1086-E1117 HydrophobicContact CG1-CB 4.03Å; V1086-E1117 HydrophobicContact CG1-CG 4.35Å; S1114-E1117 WeakPolarHBondContact CB-OE2 3.48Å; S1114-E1117 PolarHBondContact N-OE2 3.24Å; S1114-E1117 PolarHBondContact O-N 2.87Å; S1114-E1117 WeakPolarHBondContact OG-CB 3.06Å; S1114-E1117 VanDerWaalsContact OG-CD 3.24Å; S1114-E1117 VanDerWaalsContact OG-CG 3.29Å; S1114-E1117 WeakPolarHBondContact OG-CG 3.32Å; S1114-E1117 PolarHBondContact OG-N 3.29Å; S1114-E1117 PolarHBondContact OG-OE2 2.94Å; E1117-A1119 PolarHBondContact O-N 3.46Å; E1117-L1120 WeakPolarHBondContact O-CB 3.22Å; E1117-L1120 PolarHBondContact O-N 3.34Å; E1117-L1120 VanDerWaalsContact O-N 3.17Å; E1117-L1121 WeakPolarHBondContact O-CG 3.43Å; E1117-L1121 PolarHBondContact O-N 3.19Å
1118R96.4Very high95Very high32 Ų3242.6 Ų42.612%0.12123%0.226CC..Hα-helixtrans-56.8-40.3171.6163171.449.1-83.5-9.2111.4V1110 S1113 S1114 L1120 L1121 I1122 M1155V1110-R1118 HydrophobicContact CG1-CG 4.46Å; V1110-R1118 VanDerWaalsContact O-CD 3.28Å; V1110-R1118 WeakPolarHBondContact O-CD 3.3Å; V1110-R1118 PolarHBondContact O-NH1 2.85Å; S1113-R1118 PolarHBondContact O-NH1 3.13Å; S1113-R1118 PolarHBondContact OG-N 2.97Å; S1114-R1118 WeakPolarHBondContact O-CB 3.03Å; S1114-R1118 PolarHBondContact O-N 3.43Å; R1118-L1120 VanDerWaalsContact C-N 3.32Å; R1118-L1120 PolarHBondContact O-N 3.27Å; R1118-L1121 PolarHBondContact O-N 2.7Å; R1118-I1122 HydrophobicContact CG-CD1 3.57Å; R1118-I1122 HydrophobicContact CG-CG1 4.34Å; R1118-I1122 WeakPolarHBondContact O-CB 3.33Å; R1118-I1122 WeakPolarHBondContact O-CG1 3.4Å; R1118-I1122 PolarHBondContact O-N 2.72Å; R1118-M1155 VanDerWaalsContact CD-O 3.3Å; R1118-M1155 WeakPolarHBondContact CD-O 3.38Å; R1118-M1155 PolarHBondContact NE-O 3.15Å
1119A95.3Very high94.6Very high27 Ų2748.6 Ų48.622%0.22325%0.252CS..Hα-helixtrans-61.6-41178.800000111.9R1115 A1116 E1117 I1122 D1123 Q1160R1115-A1119 VanDerWaalsContact O-CB 3.24Å; R1115-A1119 WeakPolarHBondContact O-CB 3.36Å; R1115-A1119 PolarHBondContact O-N 3.45Å; A1116-A1119 WeakPolarHBondContact O-CB 3.49Å; A1116-A1119 PolarHBondContact O-N 3.21Å; E1117-A1119 PolarHBondContact O-N 3.46Å; A1119-I1122 PolarHBondContact O-N 3.23Å; A1119-D1123 WeakPolarHBondContact O-CB 3.47Å; A1119-D1123 PolarHBondContact O-N 3.35Å; A1119-Q1160 VanDerWaalsContact CA-NE2 3.33Å; A1119-Q1160 PolarHBondContact O-NE2 3.4Å
1120L95.6Very high94.1Very high78 Ų7851.3 Ų51.341%0.40827%0.267SS..Hα-helixtrans-63.9-44.6174.2-67.7170.2000112.5A1116 E1117 R1118 I1122 D1123 E1124A1116-L1120 WeakPolarHBondContact O-CG 3.46Å; A1116-L1120 PolarHBondContact O-N 3.28Å; E1117-L1120 WeakPolarHBondContact O-CB 3.22Å; E1117-L1120 PolarHBondContact O-N 3.34Å; E1117-L1120 VanDerWaalsContact O-N 3.17Å; R1118-L1120 VanDerWaalsContact C-N 3.32Å; R1118-L1120 PolarHBondContact O-N 3.27Å; L1120-I1122 VanDerWaalsContact C-N 3.3Å; L1120-I1122 PolarHBondContact O-N 3.2Å; L1120-D1123 PolarHBondContact O-N 2.91Å; L1120-E1124 WeakPolarHBondContact O-CB 3.44Å; L1120-E1124 PolarHBondContact O-N 3.14Å
1121L96.6Very high93.6Very high1 Ų154.4 Ų54.41%0.00530%0.298CS..Hα-helixtrans-63.6-34.8178.2-64.9175.4000112.7V1086 V1089 R1090 V1093 C1109 V1110 E1117 R1118 M1152V1086-L1121 HydrophobicContact CG1-CD1 3.93Å; V1086-L1121 HydrophobicContact CG1-CD2 4.25Å; V1086-L1121 HydrophobicContact CG1-CG 4.19Å; V1089-L1121 HydrophobicContact CG1-CD2 4.14Å; R1090-L1121 HydrophobicContact CB-CD2 4.49Å; V1093-L1121 HydrophobicContact CG2-CD2 3.62Å; C1109-L1121 HydrophobicContact CB-CD1 3.81Å; V1110-L1121 HydrophobicContact CG2-CD1 4.49Å; E1117-L1121 WeakPolarHBondContact O-CG 3.43Å; E1117-L1121 PolarHBondContact O-N 3.19Å; R1118-L1121 PolarHBondContact O-N 2.7Å; L1121-M1152 WeakPolarHBondContact O-CE 3.26Å
1122I95.5Very high93Very high2 Ų258.1 Ų58.11%0.0133%0.325CS..Hα-helixtrans-74.4-41.5176.8-72.1171.2000111.2R1118 A1119 L1120 V1125 C1126 M1152 A1156 Q1160 I1164R1118-I1122 HydrophobicContact CG-CD1 3.57Å; R1118-I1122 HydrophobicContact CG-CG1 4.34Å; R1118-I1122 WeakPolarHBondContact O-CB 3.33Å; R1118-I1122 WeakPolarHBondContact O-CG1 3.4Å; R1118-I1122 PolarHBondContact O-N 2.72Å; A1119-I1122 PolarHBondContact O-N 3.23Å; L1120-I1122 VanDerWaalsContact C-N 3.3Å; L1120-I1122 PolarHBondContact O-N 3.2Å; I1122-V1125 PolarHBondContact O-N 3.29Å; I1122-C1126 PolarHBondContact O-N 3.26Å; I1122-C1126 VanDerWaalsContact O-N 3.12Å; I1122-C1126 PolarHBondContact O-SG 2.98Å; I1122-M1152 HydrophobicContact CD1-CB 4.48Å; I1122-M1152 HydrophobicContact CG1-CB 4.14Å; I1122-M1152 HydrophobicContact CG1-CE 4.31Å; I1122-M1152 HydrophobicContact CG1-CG 3.87Å; I1122-M1152 HydrophobicContact CG1-SD 4.19Å; I1122-A1156 HydrophobicContact CD1-CB 3.98Å; I1122-Q1160 HydrophobicContact CG2-CB 4.3Å; I1122-I1164 HydrophobicContact CG2-CD1 3.83Å; I1122-I1164 HydrophobicContact CG2-CG1 4.19Å
1123D94.1Very high92.6Very high75 Ų7559 Ų5940%0.40133%0.329SS..Hα-helixtrans-66.6-38.7178.4-170.163.8000111.9A1119 L1120 V1125 C1126 C1127A1119-D1123 WeakPolarHBondContact O-CB 3.47Å; A1119-D1123 PolarHBondContact O-N 3.35Å; L1120-D1123 PolarHBondContact O-N 2.91Å; D1123-V1125 PolarHBondContact O-N 3.35Å; D1123-C1126 CarbonylContact O-C 3.09Å; D1123-C1126 WeakPolarHBondContact O-CA 3.44Å; D1123-C1126 WeakPolarHBondContact O-CB 3.49Å; D1123-C1126 PolarHBondContact O-N 3.03Å; D1123-C1127 WeakPolarHBondContact O-CB 3.42Å; D1123-C1127 PolarHBondContact O-N 3.13Å; D1123-C1127 PolarHBondContact OD1-SG 2.93Å; D1123-C1127 VanDerWaalsContact OD1-SG 3.4Å
1124E95.1Very high92.6Very high26 Ų2660 Ų6012%0.12134%0.337CS..Hα-helixtrans-50.7-53.4172.7-177.5177.1143.400111.4R1090 G1091 K1092 V1093 L1120 C1126 C1127 Q1128R1090-E1124 WeakPolarHBondContact CG-OE2 3.49Å; G1091-E1124 VanDerWaalsContact CA-OE1 3.26Å; G1091-E1124 WeakPolarHBondContact CA-OE1 3.44Å; G1091-E1124 PolarHBondContact N-OE1 2.62Å; G1091-E1124 VanDerWaalsContact N-OE1 3.08Å; G1091-E1124 PolarHBondContact N-OE2 2.57Å; K1092-E1124 PolarHBondContact N-OE1 2.83Å; K1092-E1124 VanDerWaalsContact N-OE1 3.12Å; V1093-E1124 VanDerWaalsContact CB-OE1 3.32Å; V1093-E1124 WeakPolarHBondContact CB-OE1 3.47Å; V1093-E1124 HydrophobicContact CG2-CG 4.47Å; V1093-E1124 VanDerWaalsContact CG2-OE1 3.25Å; V1093-E1124 WeakPolarHBondContact CG2-OE1 3.26Å; V1093-E1124 PolarHBondContact N-OE1 2.95Å; L1120-E1124 WeakPolarHBondContact O-CB 3.44Å; L1120-E1124 PolarHBondContact O-N 3.14Å; E1124-C1126 VanDerWaalsContact C-N 3.28Å; E1124-C1126 PolarHBondContact O-N 3.15Å; E1124-C1127 PolarHBondContact O-N 3.28Å; E1124-Q1128 WeakPolarHBondContact O-CB 3.33Å; E1124-Q1128 PolarHBondContact O-N 3.27Å
1125V94.9Very high92.5Very high1 Ų157.2 Ų57.21%0.00632%0.317CS..Hα-helixtrans-66.8-28.9178.6172.90000112.8V1093 I1122 D1123 L1136 M1139 M1152V1093-V1125 HydrophobicContact CB-CG2 4.02Å; V1093-V1125 HydrophobicContact CG1-CG2 3.38Å; I1122-V1125 PolarHBondContact O-N 3.29Å; D1123-V1125 PolarHBondContact O-N 3.35Å; V1125-L1136 HydrophobicContact CG1-CB 3.94Å; V1125-L1136 HydrophobicContact CG1-CD1 3.94Å; V1125-L1136 PolarHBondContact O-N 2.92Å; V1125-M1139 HydrophobicContact CB-SD 4.23Å; V1125-M1139 HydrophobicContact CG1-CE 4Å; V1125-M1139 HydrophobicContact CG1-SD 3.52Å; V1125-M1139 VanDerWaalsContact CG1-SD 3.52Å; V1125-M1139 HydrophobicContact CG2-CE 3.93Å; V1125-M1139 HydrophobicContact CG2-SD 3.64Å; V1125-M1152 HydrophobicContact CB-CE 4.4Å; V1125-M1152 HydrophobicContact CB-SD 4.19Å; V1125-M1152 HydrophobicContact CG1-SD 4.34Å; V1125-M1152 HydrophobicContact CG2-CE 3.8Å; V1125-M1152 HydrophobicContact CG2-SD 4.12Å
1126C91.7Very high92.5Very high5 Ų548.6 Ų48.63%0.03429%0.285CS..Hα-helixtrans-74.2-33.8176.4-72.20000112.9I1122 D1123 E1124 I1163 K1167I1122-C1126 PolarHBondContact O-N 3.26Å; I1122-C1126 VanDerWaalsContact O-N 3.12Å; I1122-C1126 PolarHBondContact O-SG 2.98Å; D1123-C1126 CarbonylContact O-C 3.09Å; D1123-C1126 WeakPolarHBondContact O-CA 3.44Å; D1123-C1126 WeakPolarHBondContact O-CB 3.49Å; D1123-C1126 PolarHBondContact O-N 3.03Å; E1124-C1126 VanDerWaalsContact C-N 3.28Å; E1124-C1126 PolarHBondContact O-N 3.15Å; C1126-I1163 HydrophobicContact CB-CG2 4.45Å; C1126-K1167 HydrophobicContact CB-CD 3.86Å; C1126-K1167 WeakPolarHBondContact O-CD 3.47Å; C1126-K1167 VanDerWaalsContact O-CE 3.24Å; C1126-K1167 WeakPolarHBondContact O-CE 3.43Å; C1126-K1167 PolarHBondContact O-NZ 3.45Å
1127C89.2Confident92.5Very high79 Ų7946.4 Ų46.453%0.53426%0.263SS..Hα-helixtrans-105.8-25.1-170.2-69.20000113.7D1123 E1124D1123-C1127 WeakPolarHBondContact O-CB 3.42Å; D1123-C1127 PolarHBondContact O-N 3.13Å; D1123-C1127 PolarHBondContact OD1-SG 2.93Å; D1123-C1127 VanDerWaalsContact OD1-SG 3.4Å; E1124-C1127 PolarHBondContact O-N 3.28Å
1128Q90.1Very high92.4Very high61 Ų6146 Ų4629%0.28526%0.263SS..  trans-66.8140176.3-174.8175.350.100111.9L1094 E1124 A1135L1094-Q1128 VanDerWaalsContact CB-OE1 3.27Å; E1124-Q1128 WeakPolarHBondContact O-CB 3.33Å; E1124-Q1128 PolarHBondContact O-N 3.27Å; Q1128-A1135 HydrophobicContact CB-CB 3.86Å; Q1128-A1135 HydrophobicContact CG-CB 4.08Å; Q1128-A1135 WeakPolarHBondContact O-CB 3.43Å; Q1128-A1135 PolarHBondContact O-N 3.14Å
1129K88Confident92.5Very high172 Ų17244.5 Ų44.575%0.74826%0.257SS*.EExtended strand (participates in β ladder)trans-101150.2170.6-65.3-179-176.9175.90110.4H1133K1129-H1133 CarbonylContact C-O 3.58Å; K1129-H1133 VanDerWaalsContact CA-O 3.32Å; K1129-H1133 WeakPolarHBondContact CA-O 3.28Å
1130D86.5Confident92.5Very high58 Ų5843.2 Ų43.231%0.3125%0.246SC..EExtended strand (participates in β ladder)trans-125.488.4175.8179.929.6000107.1L1094 H1133 T1138L1094-D1130 HydrophobicContact CD2-CB 3.89Å; D1130-H1133 PolarHBondContact N-O 3.18Å; D1130-H1133 WeakPolarHBondContact O-CB 3.39Å; D1130-H1133 PolarHBondContact O-N 2.58Å; D1130-T1138 WeakPolarHBondContact OD2-CB 3.42Å; D1130-T1138 VanDerWaalsContact OD2-CG2 3.24Å; D1130-T1138 WeakPolarHBondContact OD2-CG2 3.13Å; D1130-T1138 PolarHBondContact OD2-OG1 3.2Å
1131G86.4Confident92.5Very high64 Ų6441.9 Ų41.966%0.6624%0.238SC*.THydrogen-bonded Turntrans51.3-119.8-167.500000112.5H1133G1131-H1133 PolarHBondContact O-N 3.34Å
1132P85.3Confident92.6Very high123 Ų12343.3 Ų43.380%0.79925%0.245SC*.THydrogen-bonded Turntrans-796.9178.935.9-37.4000113.9
1133H87.7Confident92.6Very high81 Ų8147.1 Ų47.138%0.37526%0.263SS..EExtended strand (participates in β ladder)trans-125170.3-172.9-66.8-14.9000112.1K1129 D1130 G1131 Y1137K1129-H1133 CarbonylContact C-O 3.58Å; K1129-H1133 VanDerWaalsContact CA-O 3.32Å; K1129-H1133 WeakPolarHBondContact CA-O 3.28Å; D1130-H1133 PolarHBondContact N-O 3.18Å; D1130-H1133 WeakPolarHBondContact O-CB 3.39Å; D1130-H1133 PolarHBondContact O-N 2.58Å; G1131-H1133 PolarHBondContact O-N 3.34Å; H1133-Y1137 HydrophobicContact CB-CD1 3.93Å; H1133-Y1137 AromaticContact CD2-CD1 3.67Å; H1133-Y1137 AromaticContact CD2-CE1 3.61Å; H1133-Y1137 AromaticContact CG-CD1 3.71Å; H1133-Y1137 AromaticContact CG-CE1 3.97Å; H1133-Y1137 AromaticContact NE2-CE1 3.69Å
1134S92.6Very high92.8Very high32 Ų3246.1 Ų46.122%0.22425%0.254CS..EExtended strand (participates in β ladder)trans-86.9147.1166.958.80000110.1L1136 Y1137 T1138S1134-L1136 PolarHBondContact O-N 2.6Å; S1134-Y1137 PolarHBondContact O-N 2.83Å; S1134-Y1137 VanDerWaalsContact OG-CB 3.31Å; S1134-Y1137 WeakPolarHBondContact OG-CB 3.35Å; S1134-Y1137 PolarHBondContact OG-N 3.41Å; S1134-T1138 PolarHBondContact O-N 2.96Å
1135A94.9Very high93Very high0 Ų044.9 Ų44.90%025%0.248CC..Hα-helixtrans-53.1-44.5174.800000111.1L1094 Q1128 Y1137 T1138 M1139L1094-A1135 HydrophobicContact CB-CB 4.33Å; L1094-A1135 HydrophobicContact CD1-CB 4.06Å; L1094-A1135 HydrophobicContact CD2-CB 4.03Å; L1094-A1135 HydrophobicContact CG-CB 4.37Å; Q1128-A1135 HydrophobicContact CB-CB 3.86Å; Q1128-A1135 HydrophobicContact CG-CB 4.08Å; Q1128-A1135 WeakPolarHBondContact O-CB 3.43Å; Q1128-A1135 PolarHBondContact O-N 3.14Å; A1135-Y1137 VanDerWaalsContact C-N 3.34Å; A1135-Y1137 PolarHBondContact O-N 3.02Å; A1135-T1138 PolarHBondContact O-N 3.37Å; A1135-M1139 WeakPolarHBondContact O-CB 3.45Å; A1135-M1139 VanDerWaalsContact O-CG 3.26Å; A1135-M1139 WeakPolarHBondContact O-CG 3.46Å; A1135-M1139 PolarHBondContact O-N 2.99Å
1136L95.1Very high93.1Very high4 Ų444.8 Ų44.82%0.02125%0.248CC..Hα-helixtrans-54.7-41.6173.3-174.261.6000113.6V1125 S1134 M1139 M1140 V1149 I1164 K1167 I1168V1125-L1136 HydrophobicContact CG1-CB 3.94Å; V1125-L1136 HydrophobicContact CG1-CD1 3.94Å; V1125-L1136 PolarHBondContact O-N 2.92Å; S1134-L1136 PolarHBondContact O-N 2.6Å; L1136-M1139 PolarHBondContact O-N 3.45Å; L1136-M1140 HydrophobicContact CD1-CG 4.47Å; L1136-M1140 HydrophobicContact CG-CE 4.29Å; L1136-M1140 WeakPolarHBondContact O-CB 3.49Å; L1136-M1140 VanDerWaalsContact O-CG 3.27Å; L1136-M1140 WeakPolarHBondContact O-CG 3.29Å; L1136-M1140 PolarHBondContact O-N 2.83Å; L1136-V1149 HydrophobicContact CD1-CB 4.47Å; L1136-V1149 HydrophobicContact CD1-CG1 3.74Å; L1136-V1149 HydrophobicContact CD1-CG2 3.85Å; L1136-I1164 HydrophobicContact CD2-CG2 4.35Å; L1136-K1167 HydrophobicContact CD2-CB 3.72Å; L1136-I1168 HydrophobicContact CD2-CG1 3.95Å; L1136-I1168 HydrophobicContact CG-CG1 4.42Å
1137Y94.6Very high93.4Very high19 Ų1950.2 Ų50.28%0.07527%0.268CS..Hα-helixtrans-66.6-42.2178.6176.1-110.5000112.3H1133 S1134 A1135 M1140 K1141 H1171H1133-Y1137 HydrophobicContact CB-CD1 3.93Å; H1133-Y1137 AromaticContact CD2-CD1 3.67Å; H1133-Y1137 AromaticContact CD2-CE1 3.61Å; H1133-Y1137 AromaticContact CG-CD1 3.71Å; H1133-Y1137 AromaticContact CG-CE1 3.97Å; H1133-Y1137 AromaticContact NE2-CE1 3.69Å; S1134-Y1137 PolarHBondContact O-N 2.83Å; S1134-Y1137 VanDerWaalsContact OG-CB 3.31Å; S1134-Y1137 WeakPolarHBondContact OG-CB 3.35Å; S1134-Y1137 PolarHBondContact OG-N 3.41Å; A1135-Y1137 VanDerWaalsContact C-N 3.34Å; A1135-Y1137 PolarHBondContact O-N 3.02Å; Y1137-M1140 HydrophobicContact CD2-CE 4.44Å; Y1137-K1141 HydrophobicContact CD1-CD 4.15Å; Y1137-K1141 HydrophobicContact CD2-CD 4.26Å; Y1137-K1141 HydrophobicContact CE1-CD 3.77Å; Y1137-K1141 HydrophobicContact CE2-CD 3.84Å; Y1137-K1141 HydrophobicContact CG-CD 4.41Å; Y1137-K1141 WeakPolarHBondContact O-CD 3.37Å; Y1137-K1141 WeakPolarHBondContact O-CG 3.48Å; Y1137-H1171 HydrophobicContact CD2-CB 3.97Å; Y1137-H1171 AromaticContact CD2-CD2 3.75Å; Y1137-H1171 AromaticContact CD2-CE1 3.76Å; Y1137-H1171 AromaticContact CD2-CG 3.47Å; Y1137-H1171 VanDerWaalsContact CD2-CG 3.47Å; Y1137-H1171 AromaticContact CD2-ND1 3.49Å; Y1137-H1171 WeakPolarHBondContact CD2-ND1 3.28Å; Y1137-H1171 AromaticContact CD2-NE2 3.92Å; Y1137-H1171 HydrophobicContact CE2-CB 4.12Å; Y1137-H1171 AromaticContact CE2-CG 3.87Å; Y1137-H1171 AromaticContact CE2-ND1 3.63Å
1138T95.3Very high93.8Very high26 Ų2646.4 Ų46.416%0.1624%0.243CC..Hα-helixtrans-65.1-46.2174.1-60.10000110.9D1130 S1134 A1135 M1140 K1141 D1142D1130-T1138 WeakPolarHBondContact OD2-CB 3.42Å; D1130-T1138 VanDerWaalsContact OD2-CG2 3.24Å; D1130-T1138 WeakPolarHBondContact OD2-CG2 3.13Å; D1130-T1138 PolarHBondContact OD2-OG1 3.2Å; S1134-T1138 PolarHBondContact O-N 2.96Å; A1135-T1138 PolarHBondContact O-N 3.37Å; T1138-M1140 VanDerWaalsContact C-N 3.34Å; T1138-M1140 PolarHBondContact O-N 3.06Å; T1138-K1141 WeakPolarHBondContact O-CB 3.48Å; T1138-K1141 PolarHBondContact O-N 3.45Å; T1138-D1142 PolarHBondContact O-N 3.33Å
1139M97.3Very high94.1Very high0 Ų043.6 Ų43.60%023%0.229CC..Hα-helixtrans-60.7-39.3-179.3-71.7176.355.900113.1L1094 S1097 V1125 A1135 L1136 K1141 D1142 A1145 N1146 V1148 V1149L1094-M1139 HydrophobicContact CD1-CG 3.53Å; L1094-M1139 HydrophobicContact CD1-SD 4.05Å; S1097-M1139 WeakPolarHBondContact OG-CE 3.4Å; V1125-M1139 HydrophobicContact CB-SD 4.23Å; V1125-M1139 HydrophobicContact CG1-CE 4Å; V1125-M1139 HydrophobicContact CG1-SD 3.52Å; V1125-M1139 VanDerWaalsContact CG1-SD 3.52Å; V1125-M1139 HydrophobicContact CG2-CE 3.93Å; V1125-M1139 HydrophobicContact CG2-SD 3.64Å; A1135-M1139 WeakPolarHBondContact O-CB 3.45Å; A1135-M1139 VanDerWaalsContact O-CG 3.26Å; A1135-M1139 WeakPolarHBondContact O-CG 3.46Å; A1135-M1139 PolarHBondContact O-N 2.99Å; L1136-M1139 PolarHBondContact O-N 3.45Å; M1139-K1141 PolarHBondContact O-N 3.3Å; M1139-D1142 PolarHBondContact O-N 3.17Å; M1139-A1145 HydrophobicContact CB-CB 3.69Å; M1139-A1145 HydrophobicContact CE-CB 4.39Å; M1139-A1145 HydrophobicContact CG-CB 3.78Å; M1139-A1145 CarbonylContact O-C 3.51Å; M1139-A1145 VanDerWaalsContact O-C 3.25Å; M1139-A1145 WeakPolarHBondContact O-CB 3.5Å; M1139-N1146 WeakPolarHBondContact O-CA 3.42Å; M1139-N1146 PolarHBondContact O-N 3.3Å; M1139-V1148 HydrophobicContact CE-CB 4.14Å; M1139-V1148 HydrophobicContact CE-CG1 3.91Å; M1139-V1149 HydrophobicContact CB-CG2 3.64Å; M1139-V1149 HydrophobicContact CE-CG2 3.98Å
1140M97Very high94.5Very high0 Ų037.1 Ų37.10%020%0.202CC..Hα-helixtrans-62.5-21.7174.7-76.2-170.4-68.100114.3L1136 Y1137 T1138 V1149 I1168 H1171 L1175 G1181 I1184L1136-M1140 HydrophobicContact CD1-CG 4.47Å; L1136-M1140 HydrophobicContact CG-CE 4.29Å; L1136-M1140 WeakPolarHBondContact O-CB 3.49Å; L1136-M1140 VanDerWaalsContact O-CG 3.27Å; L1136-M1140 WeakPolarHBondContact O-CG 3.29Å; L1136-M1140 PolarHBondContact O-N 2.83Å; Y1137-M1140 HydrophobicContact CD2-CE 4.44Å; T1138-M1140 VanDerWaalsContact C-N 3.34Å; T1138-M1140 PolarHBondContact O-N 3.06Å; M1140-V1149 HydrophobicContact CG-CB 4.47Å; M1140-V1149 HydrophobicContact CG-CG1 3.91Å; M1140-V1149 HydrophobicContact CG-CG2 4.28Å; M1140-I1168 HydrophobicContact CE-CB 4.43Å; M1140-I1168 HydrophobicContact CE-CG1 4.01Å; M1140-I1168 HydrophobicContact CE-CG2 4.22Å; M1140-I1168 HydrophobicContact SD-CB 4.1Å; M1140-I1168 HydrophobicContact SD-CD1 3.73Å; M1140-I1168 HydrophobicContact SD-CG1 3.52Å; M1140-I1168 VanDerWaalsContact SD-CG1 3.52Å; M1140-I1168 HydrophobicContact SD-CG2 3.61Å; M1140-H1171 HydrophobicContact CE-CB 4.43Å; M1140-L1175 HydrophobicContact CB-CD2 3.76Å; M1140-L1175 HydrophobicContact CE-CD1 3.95Å; M1140-L1175 HydrophobicContact CE-CD2 4.33Å; M1140-L1175 HydrophobicContact SD-CD1 3.62Å; M1140-L1175 HydrophobicContact SD-CD2 4.21Å; M1140-G1181 VanDerWaalsContact O-CA 3.26Å; M1140-G1181 WeakPolarHBondContact O-CA 3.35Å; M1140-G1181 PolarHBondContact O-N 3.35Å; M1140-I1184 HydrophobicContact CB-CG1 4Å; M1140-I1184 HydrophobicContact CG-CD1 4.33Å; M1140-I1184 HydrophobicContact CG-CG1 3.91Å; M1140-I1184 HydrophobicContact CG-CG2 4.25Å; M1140-I1184 HydrophobicContact SD-CG1 4.47Å; M1140-I1184 HydrophobicContact SD-CG2 3.89Å
1141K95.4Very high95Very high51 Ų5138.5 Ų38.522%0.22220%0.203CC..Hα-helixtrans-97-20.6-176.7-71.3166.746.5179.20113.6Y1137 T1138 M1139 L1175 Y1178 Y1180Y1137-K1141 HydrophobicContact CD1-CD 4.15Å; Y1137-K1141 HydrophobicContact CD2-CD 4.26Å; Y1137-K1141 HydrophobicContact CE1-CD 3.77Å; Y1137-K1141 HydrophobicContact CE2-CD 3.84Å; Y1137-K1141 HydrophobicContact CG-CD 4.41Å; Y1137-K1141 WeakPolarHBondContact O-CD 3.37Å; Y1137-K1141 WeakPolarHBondContact O-CG 3.48Å; T1138-K1141 WeakPolarHBondContact O-CB 3.48Å; T1138-K1141 PolarHBondContact O-N 3.45Å; M1139-K1141 PolarHBondContact O-N 3.3Å; K1141-L1175 HydrophobicContact CG-CD2 4.4Å; K1141-Y1178 HydrophobicContact CD-CD2 3.87Å; K1141-Y1178 HydrophobicContact CD-CE1 4.46Å; K1141-Y1178 HydrophobicContact CD-CE2 3.53Å; K1141-Y1178 HydrophobicContact CD-CG 4.44Å; K1141-Y1178 VanDerWaalsContact CE-CZ 3.41Å; K1141-Y1178 HydrophobicContact CG-CD1 4.5Å; K1141-Y1178 HydrophobicContact CG-CD2 3.66Å; K1141-Y1178 HydrophobicContact CG-CE2 3.9Å; K1141-Y1178 HydrophobicContact CG-CG 3.98Å; K1141-Y1178 PolarHBondContact NZ-OH 2.99Å; K1141-Y1180 WeakPolarHBondContact O-CD2 3.35Å
1142D97.4Very high95.5Very high30 Ų3035.7 Ų35.716%0.1617%0.172CC..SBendtrans-78.5154.7-178.4171.9-106.8000112.9Q1098 T1138 M1139 Y1144 A1145 N1146 Y1180Q1098-D1142 HydrophobicContact CG-CB 4.34Å; T1138-D1142 PolarHBondContact O-N 3.33Å; M1139-D1142 PolarHBondContact O-N 3.17Å; D1142-Y1144 VanDerWaalsContact C-N 3.33Å; D1142-Y1144 PolarHBondContact O-N 2.88Å; D1142-Y1144 WeakPolarHBondContact OD1-CA 3.47Å; D1142-Y1144 PolarHBondContact OD1-N 2.94Å; D1142-A1145 HydrophobicContact CB-CB 4.08Å; D1142-A1145 PolarHBondContact OD1-N 3.34Å; D1142-N1146 WeakPolarHBondContact O-CB 3.47Å; D1142-N1146 PolarHBondContact O-ND2 3.23Å; D1142-Y1180 WeakPolarHBondContact O-CB 3.34Å
1143Q97Very high95.9Very high82 Ų8229.9 Ų29.938%0.38314%0.135SC..THydrogen-bonded Turntrans-68.7-23.7-177.377.3-161-77.400114.5N1146 Y1147 Y1180Q1143-N1146 VanDerWaalsContact C-ND2 3.27Å; Q1143-N1146 PolarHBondContact O-ND2 2.99Å; Q1143-Y1147 WeakPolarHBondContact O-CE2 3.39Å; Q1143-Y1180 HydrophobicContact CB-CD1 4.18Å; Q1143-Y1180 HydrophobicContact CB-CD2 4.17Å; Q1143-Y1180 HydrophobicContact CB-CE1 3.66Å; Q1143-Y1180 HydrophobicContact CB-CE2 3.66Å; Q1143-Y1180 HydrophobicContact CB-CG 4.41Å
1144Y98.2Very high96.2Very high54 Ų5428.8 Ų28.821%0.21213%0.131CC..THydrogen-bonded Turntrans-111.7-45.8-179.9-56.4-62.8000111.6S1097 Q1098 K1100 D1142 N1146 Y1147S1097-Y1144 CarbonylContact O-C 3.09Å; S1097-Y1144 WeakPolarHBondContact O-CB 3.36Å; Q1098-Y1144 WeakPolarHBondContact O-CD2 3.49Å; K1100-Y1144 HydrophobicContact CB-CD1 4.44Å; K1100-Y1144 HydrophobicContact CB-CD2 4.43Å; K1100-Y1144 HydrophobicContact CB-CE1 3.9Å; K1100-Y1144 HydrophobicContact CB-CE2 3.88Å; K1100-Y1144 HydrophobicContact CG-CE1 3.77Å; D1142-Y1144 VanDerWaalsContact C-N 3.33Å; D1142-Y1144 PolarHBondContact O-N 2.88Å; D1142-Y1144 WeakPolarHBondContact OD1-CA 3.47Å; D1142-Y1144 PolarHBondContact OD1-N 2.94Å; Y1144-N1146 PolarHBondContact O-N 2.94Å; Y1144-N1146 VanDerWaalsContact O-N 3.16Å; Y1144-Y1147 WeakPolarHBondContact O-CB 3.45Å; Y1144-Y1147 WeakPolarHBondContact O-CD2 3.28Å; Y1144-Y1147 PolarHBondContact O-N 2.81Å
1145A97.9Very high96.3Very high0 Ų030.8 Ų30.80%014%0.138CC..Hα-helixtrans-67.3-20.3-174.500000113.6S1097 Q1098 M1139 D1142 Y1147 V1148 V1149S1097-A1145 VanDerWaalsContact O-CA 3.25Å; S1097-A1145 WeakPolarHBondContact O-CA 3.31Å; S1097-A1145 WeakPolarHBondContact O-CB 3.27Å; S1097-A1145 PolarHBondContact O-N 3.27Å; S1097-A1145 VanDerWaalsContact O-N 3.08Å; Q1098-A1145 HydrophobicContact CG-CB 4.28Å; M1139-A1145 HydrophobicContact CB-CB 3.69Å; M1139-A1145 HydrophobicContact CE-CB 4.39Å; M1139-A1145 HydrophobicContact CG-CB 3.78Å; M1139-A1145 CarbonylContact O-C 3.51Å; M1139-A1145 VanDerWaalsContact O-C 3.25Å; M1139-A1145 WeakPolarHBondContact O-CB 3.5Å; D1142-A1145 HydrophobicContact CB-CB 4.08Å; D1142-A1145 PolarHBondContact OD1-N 3.34Å; A1145-Y1147 PolarHBondContact O-N 3.12Å; A1145-V1148 WeakPolarHBondContact O-CB 2.99Å; A1145-V1148 PolarHBondContact O-N 3.31Å; A1145-V1148 VanDerWaalsContact O-N 3.15Å; A1145-V1149 PolarHBondContact O-N 3.11Å
1146N97.4Very high96.3Very high0 Ų030.9 Ų30.90%014%0.139CC..Hα-helixtrans-61.9-27.9173.678.989.2000112.3M1139 D1142 Q1143 Y1144 Q1150 I1184M1139-N1146 WeakPolarHBondContact O-CA 3.42Å; M1139-N1146 PolarHBondContact O-N 3.3Å; D1142-N1146 WeakPolarHBondContact O-CB 3.47Å; D1142-N1146 PolarHBondContact O-ND2 3.23Å; Q1143-N1146 VanDerWaalsContact C-ND2 3.27Å; Q1143-N1146 PolarHBondContact O-ND2 2.99Å; Y1144-N1146 PolarHBondContact O-N 2.94Å; Y1144-N1146 VanDerWaalsContact O-N 3.16Å; N1146-Q1150 VanDerWaalsContact O-CG 3.28Å; N1146-Q1150 WeakPolarHBondContact O-CG 3.32Å; N1146-Q1150 PolarHBondContact O-N 3.44Å; N1146-Q1150 VanDerWaalsContact O-N 3.14Å; N1146-Q1150 PolarHBondContact O-NE2 3.19Å; N1146-Q1150 PolarHBondContact OD1-NE2 2.96Å; N1146-Q1150 VanDerWaalsContact OD1-NE2 3.13Å; N1146-I1184 HydrophobicContact CB-CD1 3.9Å; N1146-I1184 WeakPolarHBondContact O-CD1 3.48Å
1147Y97.9Very high96.1Very high118 Ų11834.7 Ų34.746%0.46316%0.157SC..Hα-helixtrans-73.3-41.2174.2-63.4-77.2000111.2E1107 Q1143 Y1144 A1145 V1149 Q1150 R1151E1107-Y1147 WeakPolarHBondContact OE1-CB 3.26Å; Q1143-Y1147 WeakPolarHBondContact O-CE2 3.39Å; Y1144-Y1147 WeakPolarHBondContact O-CB 3.45Å; Y1144-Y1147 WeakPolarHBondContact O-CD2 3.28Å; Y1144-Y1147 PolarHBondContact O-N 2.81Å; A1145-Y1147 PolarHBondContact O-N 3.12Å; Y1147-V1149 VanDerWaalsContact C-N 3.35Å; Y1147-V1149 PolarHBondContact O-N 3.3Å; Y1147-Q1150 WeakPolarHBondContact O-CB 3.49Å; Y1147-Q1150 PolarHBondContact O-N 3.34Å; Y1147-R1151 PolarHBondContact O-N 3.43Å
1148V97.9Very high96Very high0 Ų037.3 Ų37.30%018%0.176CC..Hα-helixtrans-58.7-44.8172.3-177.30000111.2V1106 E1107 M1139 A1145 Q1150 R1151 M1152V1106-V1148 HydrophobicContact CB-CG1 4.4Å; V1106-V1148 HydrophobicContact CB-CG2 4.28Å; V1106-V1148 HydrophobicContact CG1-CG1 3.59Å; V1106-V1148 HydrophobicContact CG1-CG2 4.34Å; E1107-V1148 HydrophobicContact CG-CG2 4.06Å; M1139-V1148 HydrophobicContact CE-CB 4.14Å; M1139-V1148 HydrophobicContact CE-CG1 3.91Å; A1145-V1148 WeakPolarHBondContact O-CB 2.99Å; A1145-V1148 PolarHBondContact O-N 3.31Å; A1145-V1148 VanDerWaalsContact O-N 3.15Å; V1148-Q1150 PolarHBondContact O-N 3.42Å; V1148-R1151 WeakPolarHBondContact O-CB 3.33Å; V1148-R1151 PolarHBondContact O-N 2.94Å; V1148-R1151 VanDerWaalsContact O-N 3.13Å; V1148-M1152 HydrophobicContact CG1-CE 4.11Å; V1148-M1152 HydrophobicContact CG1-CG 4.42Å; V1148-M1152 HydrophobicContact CG1-SD 4.35Å; V1148-M1152 WeakPolarHBondContact O-CG 3.36Å; V1148-M1152 PolarHBondContact O-N 3.28Å
1149V97.2Very high95.7Very high1 Ų139.5 Ų39.51%0.00620%0.197CC..Hα-helixtrans-62.6-41.3176.7177.20000111.6L1136 M1139 M1140 A1145 Y1147 R1151 M1152 I1153 I1168 I1184L1136-V1149 HydrophobicContact CD1-CB 4.47Å; L1136-V1149 HydrophobicContact CD1-CG1 3.74Å; L1136-V1149 HydrophobicContact CD1-CG2 3.85Å; M1139-V1149 HydrophobicContact CB-CG2 3.64Å; M1139-V1149 HydrophobicContact CE-CG2 3.98Å; M1140-V1149 HydrophobicContact CG-CB 4.47Å; M1140-V1149 HydrophobicContact CG-CG1 3.91Å; M1140-V1149 HydrophobicContact CG-CG2 4.28Å; A1145-V1149 PolarHBondContact O-N 3.11Å; Y1147-V1149 VanDerWaalsContact C-N 3.35Å; Y1147-V1149 PolarHBondContact O-N 3.3Å; V1149-R1151 VanDerWaalsContact C-N 3.3Å; V1149-R1151 PolarHBondContact O-N 2.68Å; V1149-M1152 PolarHBondContact O-N 2.74Å; V1149-I1153 HydrophobicContact CG1-CD1 3.99Å; V1149-I1153 WeakPolarHBondContact O-CD1 3.49Å; V1149-I1153 VanDerWaalsContact O-CG1 3.32Å; V1149-I1153 WeakPolarHBondContact O-CG1 3.48Å; V1149-I1153 PolarHBondContact O-N 2.84Å; V1149-I1168 HydrophobicContact CG1-CD1 4.4Å; V1149-I1184 HydrophobicContact CB-CD1 4.1Å; V1149-I1184 HydrophobicContact CG1-CD1 4.12Å
1150Q96.1Very high95.4Very high36 Ų3641 Ų4117%0.16820%0.204CC..Hα-helixtrans-61.8-38.1174-71.6169.685.700111.9N1146 Y1147 V1148 I1153 D1154 I1184 K1187N1146-Q1150 VanDerWaalsContact O-CG 3.28Å; N1146-Q1150 WeakPolarHBondContact O-CG 3.32Å; N1146-Q1150 PolarHBondContact O-N 3.44Å; N1146-Q1150 VanDerWaalsContact O-N 3.14Å; N1146-Q1150 PolarHBondContact O-NE2 3.19Å; N1146-Q1150 PolarHBondContact OD1-NE2 2.96Å; N1146-Q1150 VanDerWaalsContact OD1-NE2 3.13Å; Y1147-Q1150 WeakPolarHBondContact O-CB 3.49Å; Y1147-Q1150 PolarHBondContact O-N 3.34Å; V1148-Q1150 PolarHBondContact O-N 3.42Å; Q1150-I1153 PolarHBondContact O-N 3.45Å; Q1150-D1154 PolarHBondContact O-N 3.38Å; Q1150-D1154 VanDerWaalsContact O-N 3.11Å; Q1150-I1184 HydrophobicContact CG-CD1 3.86Å; Q1150-K1187 HydrophobicContact CB-CD 4.45Å; Q1150-K1187 HydrophobicContact CB-CG 4.36Å; Q1150-K1187 HydrophobicContact CG-CB 4.12Å; Q1150-K1187 HydrophobicContact CG-CD 4.37Å; Q1150-K1187 HydrophobicContact CG-CG 3.98Å
1151R96.6Very high95.2Very high88 Ų8842.9 Ų42.933%0.33221%0.211SC..Hα-helixtrans-68.3-41.1176.3-165.765.163.81664.8112.6E1107 V1110 I1111 Y1147 V1148 V1149 I1153 D1154 M1155E1107-R1151 HydrophobicContact CB-CG 4.28Å; E1107-R1151 HydrophobicContact CG-CB 3.98Å; E1107-R1151 HydrophobicContact CG-CG 4.21Å; E1107-R1151 IonicContact OE2-CZ 3.91Å; E1107-R1151 IonicContact OE2-NE 2.7Å; E1107-R1151 PolarHBondContact OE2-NE 3.33Å; E1107-R1151 IonicContact OE2-NH2 2.71Å; E1107-R1151 PolarHBondContact OE2-NH2 3.32Å; V1110-R1151 HydrophobicContact CB-CG 4.38Å; V1110-R1151 HydrophobicContact CG1-CG 4.07Å; I1111-R1151 HydrophobicContact CD1-CG 4.3Å; I1111-R1151 HydrophobicContact CG1-CG 3.96Å; Y1147-R1151 PolarHBondContact O-N 3.43Å; V1148-R1151 WeakPolarHBondContact O-CB 3.33Å; V1148-R1151 PolarHBondContact O-N 2.94Å; V1148-R1151 VanDerWaalsContact O-N 3.13Å; V1149-R1151 VanDerWaalsContact C-N 3.3Å; V1149-R1151 PolarHBondContact O-N 2.68Å; R1151-I1153 VanDerWaalsContact C-N 3.34Å; R1151-D1154 PolarHBondContact O-N 3.24Å; R1151-M1155 HydrophobicContact CG-CG 4.28Å; R1151-M1155 WeakPolarHBondContact O-CB 3.34Å; R1151-M1155 WeakPolarHBondContact O-CG 3.45Å; R1151-M1155 PolarHBondContact O-N 2.95Å
1152M96.3Very high95Very high4 Ų444.3 Ų44.32%0.0222%0.217CC..Hα-helixtrans-61.3-42173.4-72.2-177164.400111.2V1093 V1110 L1121 I1122 V1125 V1148 V1149 D1154 M1155 A1156 I1164V1093-M1152 HydrophobicContact CG1-CE 3.89Å; V1110-M1152 HydrophobicContact CG1-CG 4.27Å; V1110-M1152 HydrophobicContact CG2-CE 3.91Å; V1110-M1152 HydrophobicContact CG2-CG 4.02Å; L1121-M1152 WeakPolarHBondContact O-CE 3.26Å; I1122-M1152 HydrophobicContact CD1-CB 4.48Å; I1122-M1152 HydrophobicContact CG1-CB 4.14Å; I1122-M1152 HydrophobicContact CG1-CE 4.31Å; I1122-M1152 HydrophobicContact CG1-CG 3.87Å; I1122-M1152 HydrophobicContact CG1-SD 4.19Å; V1125-M1152 HydrophobicContact CB-CE 4.4Å; V1125-M1152 HydrophobicContact CB-SD 4.19Å; V1125-M1152 HydrophobicContact CG1-SD 4.34Å; V1125-M1152 HydrophobicContact CG2-CE 3.8Å; V1125-M1152 HydrophobicContact CG2-SD 4.12Å; V1148-M1152 HydrophobicContact CG1-CE 4.11Å; V1148-M1152 HydrophobicContact CG1-CG 4.42Å; V1148-M1152 HydrophobicContact CG1-SD 4.35Å; V1148-M1152 WeakPolarHBondContact O-CG 3.36Å; V1148-M1152 PolarHBondContact O-N 3.28Å; V1149-M1152 PolarHBondContact O-N 2.74Å; M1152-D1154 PolarHBondContact O-N 3.16Å; M1152-M1155 PolarHBondContact O-N 2.98Å; M1152-A1156 WeakPolarHBondContact O-CA 3.49Å; M1152-A1156 WeakPolarHBondContact O-CB 3.37Å; M1152-A1156 PolarHBondContact O-N 3.26Å; M1152-I1164 HydrophobicContact CB-CD1 4.38Å
1153I94.3Very high94.7Very high1 Ų146.7 Ų46.71%0.00523%0.229CC..Hα-helixtrans-60.2-44.1174.6-69.7159.7000111.4V1149 Q1150 R1151 R1161 I1164 M1165 I1168 I1184 L1188V1149-I1153 HydrophobicContact CG1-CD1 3.99Å; V1149-I1153 WeakPolarHBondContact O-CD1 3.49Å; V1149-I1153 VanDerWaalsContact O-CG1 3.32Å; V1149-I1153 WeakPolarHBondContact O-CG1 3.48Å; V1149-I1153 PolarHBondContact O-N 2.84Å; Q1150-I1153 PolarHBondContact O-N 3.45Å; R1151-I1153 VanDerWaalsContact C-N 3.34Å; I1153-R1161 PolarHBondContact O-NE 2.84Å; I1153-I1164 HydrophobicContact CG1-CG2 3.88Å; I1153-M1165 HydrophobicContact CG2-CE 3.84Å; I1153-I1168 HydrophobicContact CD1-CD1 3.99Å; I1153-I1184 HydrophobicContact CD1-CG2 4.39Å; I1153-L1188 HydrophobicContact CD1-CD2 3.84Å; I1153-L1188 HydrophobicContact CG2-CD2 4.47Å
1154D93.6Very high94.4Very high58 Ų5843 Ų4331%0.3121%0.212SC..Hα-helixtrans-64.2-49.4177.9-73.6-28.3000112.1Q1150 R1151 M1152 R1161 K1187Q1150-D1154 PolarHBondContact O-N 3.38Å; Q1150-D1154 VanDerWaalsContact O-N 3.11Å; R1151-D1154 PolarHBondContact O-N 3.24Å; M1152-D1154 PolarHBondContact O-N 3.16Å; D1154-R1161 PolarHBondContact O-NH2 3.19Å; D1154-K1187 WeakPolarHBondContact OD1-CE 3.41Å; D1154-K1187 IonicContact OD1-NZ 3.36Å; D1154-K1187 PolarHBondContact OD1-NZ 2.81Å; D1154-K1187 WeakPolarHBondContact OD2-CE 3.26Å; D1154-K1187 IonicContact OD2-NZ 3.42Å; D1154-K1187 PolarHBondContact OD2-NZ 2.66Å
1155M94.6Very high94.1Very high74 Ų7440.5 Ų40.537%0.36520%0.202SC..Hα-helixtrans-89.1-13-169.3-57.6-71.89000114.4V1110 I1111 R1118 R1151 M1152V1110-M1155 HydrophobicContact CG1-CB 3.8Å; V1110-M1155 HydrophobicContact CG1-CG 4.06Å; I1111-M1155 HydrophobicContact CG1-CG 4.38Å; I1111-M1155 HydrophobicContact CG1-SD 4.39Å; R1118-M1155 VanDerWaalsContact CD-O 3.3Å; R1118-M1155 WeakPolarHBondContact CD-O 3.38Å; R1118-M1155 PolarHBondContact NE-O 3.15Å; R1151-M1155 HydrophobicContact CG-CG 4.28Å; R1151-M1155 WeakPolarHBondContact O-CB 3.34Å; R1151-M1155 WeakPolarHBondContact O-CG 3.45Å; R1151-M1155 PolarHBondContact O-N 2.95Å; M1152-M1155 PolarHBondContact O-N 2.98Å
1156A94.3Very high93.7Very high3 Ų347 Ų473%0.02523%0.232CC..SBendtrans-60.1137.1174.800000112I1122 M1152 Q1160 R1161 I1164I1122-A1156 HydrophobicContact CD1-CB 3.98Å; M1152-A1156 WeakPolarHBondContact O-CA 3.49Å; M1152-A1156 WeakPolarHBondContact O-CB 3.37Å; M1152-A1156 PolarHBondContact O-N 3.26Å; A1156-Q1160 HydrophobicContact CB-CB 4.15Å; A1156-R1161 HydrophobicContact CB-CB 3.88Å; A1156-R1161 HydrophobicContact CB-CG 4.44Å; A1156-R1161 PolarHBondContact O-NH2 3.32Å; A1156-I1164 HydrophobicContact CB-CD1 3.83Å
1157E92.5Very high93.4Very high84 Ų8450.4 Ų50.439%0.39325%0.247SC..  trans-66.5154.2168.1-59.8-167.9165.900110.4R1115 A1159 Q1160 R1161R1115-E1157 WeakPolarHBondContact CD-OE1 3.24Å; E1157-A1159 VanDerWaalsContact C-N 3.26Å; E1157-A1159 PolarHBondContact O-N 3.41Å; E1157-Q1160 PolarHBondContact O-N 3.35Å; E1157-R1161 PolarHBondContact O-N 3.31Å
1158P91.1Very high93.2Very high74 Ų7444.8 Ų44.848%0.48123%0.225SC..Hα-helixtrans-53.3-36.9-169.2-29.836.3000115.1K1162P1158-K1162 WeakPolarHBondContact O-CG 3.48Å; P1158-K1162 PolarHBondContact O-N 2.94Å
1159A90.6Very high92.9Very high72 Ų7249 Ų4960%0.59524%0.241SC*.Hα-helixtrans-64.4-51.2175.300000112.2E1157 R1161 K1162 I1163E1157-A1159 VanDerWaalsContact C-N 3.26Å; E1157-A1159 PolarHBondContact O-N 3.41Å; A1159-R1161 VanDerWaalsContact C-N 3.32Å; A1159-R1161 PolarHBondContact O-N 3.36Å; A1159-K1162 PolarHBondContact O-N 3.04Å; A1159-I1163 PolarHBondContact O-N 3.16Å
1160Q91.1Very high92.7Very high31 Ų3153.6 Ų53.615%0.14527%0.271CS..Hα-helixtrans-62.9-39.2176.1-64.7-158.6-59.500111.9A1119 I1122 A1156 E1157 K1162 I1163 I1164A1119-Q1160 VanDerWaalsContact CA-NE2 3.33Å; A1119-Q1160 PolarHBondContact O-NE2 3.4Å; I1122-Q1160 HydrophobicContact CG2-CB 4.3Å; A1156-Q1160 HydrophobicContact CB-CB 4.15Å; E1157-Q1160 PolarHBondContact O-N 3.35Å; Q1160-K1162 VanDerWaalsContact C-N 3.3Å; Q1160-K1162 PolarHBondContact O-N 3.23Å; Q1160-I1163 WeakPolarHBondContact O-CA 3.44Å; Q1160-I1163 WeakPolarHBondContact O-CB 3.3Å; Q1160-I1163 PolarHBondContact O-N 3.03Å; Q1160-I1164 WeakPolarHBondContact O-CG1 3.42Å; Q1160-I1164 PolarHBondContact O-N 3.38Å
1161R91.9Very high92.5Very high40 Ų4054.1 Ų54.115%0.15127%0.273CS..Hα-helixtrans-60.5-40.4177-163.1-176-70.61391.2110.9I1153 D1154 A1156 E1157 A1159 I1163 I1164 M1165 Y1191I1153-R1161 PolarHBondContact O-NE 2.84Å; D1154-R1161 PolarHBondContact O-NH2 3.19Å; A1156-R1161 HydrophobicContact CB-CB 3.88Å; A1156-R1161 HydrophobicContact CB-CG 4.44Å; A1156-R1161 PolarHBondContact O-NH2 3.32Å; E1157-R1161 PolarHBondContact O-N 3.31Å; A1159-R1161 VanDerWaalsContact C-N 3.32Å; A1159-R1161 PolarHBondContact O-N 3.36Å; R1161-I1163 VanDerWaalsContact C-N 3.33Å; R1161-I1163 PolarHBondContact O-N 2.72Å; R1161-I1164 PolarHBondContact O-N 3.05Å; R1161-M1165 HydrophobicContact CG-CE 3.95Å; R1161-M1165 HydrophobicContact CG-CG 4.45Å; R1161-M1165 WeakPolarHBondContact O-CB 3.24Å; R1161-M1165 WeakPolarHBondContact O-CG 3.24Å; R1161-M1165 PolarHBondContact O-N 2.88Å; R1161-Y1191 VanDerWaalsContact CD-CE2 3.44Å; R1161-Y1191 VanDerWaalsContact CD-OH 3.31Å; R1161-Y1191 WeakPolarHBondContact CD-OH 3.44Å; R1161-Y1191 PolarHBondContact NH1-OH 2.95Å
1162K90.3Very high92.3Very high80 Ų8052.2 Ų52.235%0.34827%0.269SS..Hα-helixtrans-62.1-37.3173.4-72.1174.1-175.6-1800112.5P1158 A1159 Q1160 M1165 H1166 E1199 L1200P1158-K1162 WeakPolarHBondContact O-CG 3.48Å; P1158-K1162 PolarHBondContact O-N 2.94Å; A1159-K1162 PolarHBondContact O-N 3.04Å; Q1160-K1162 VanDerWaalsContact C-N 3.3Å; Q1160-K1162 PolarHBondContact O-N 3.23Å; K1162-M1165 PolarHBondContact O-N 3.3Å; K1162-H1166 WeakPolarHBondContact O-CB 3.35Å; K1162-H1166 PolarHBondContact O-N 2.99Å; K1162-E1199 WeakPolarHBondContact CE-O 3.06Å; K1162-E1199 WeakPolarHBondContact CE-OE1 3.5Å; K1162-E1199 IonicContact NZ-OE1 2.79Å; K1162-E1199 PolarHBondContact NZ-OE1 3.3Å; K1162-L1200 HydrophobicContact CB-CD2 4.38Å; K1162-L1200 HydrophobicContact CG-CD2 4Å; K1162-L1200 HydrophobicContact CG-CG 4.49Å
1163I91.2Very high92Very high81 Ų8155.5 Ų55.542%0.41530%0.297SS..Hα-helixtrans-64.7-46.8174-62.2169.1000111.2C1126 A1159 Q1160 R1161 H1166 K1167C1126-I1163 HydrophobicContact CB-CG2 4.45Å; A1159-I1163 PolarHBondContact O-N 3.16Å; Q1160-I1163 WeakPolarHBondContact O-CA 3.44Å; Q1160-I1163 WeakPolarHBondContact O-CB 3.3Å; Q1160-I1163 PolarHBondContact O-N 3.03Å; R1161-I1163 VanDerWaalsContact C-N 3.33Å; R1161-I1163 PolarHBondContact O-N 2.72Å; I1163-H1166 PolarHBondContact O-N 2.85Å; I1163-K1167 HydrophobicContact CG2-CD 4.09Å; I1163-K1167 WeakPolarHBondContact O-CG 3.21Å; I1163-K1167 PolarHBondContact O-N 2.91Å
1164I92.4Very high91.8Very high4 Ų457.9 Ų57.92%0.02131%0.312CS..Hα-helixtrans-57-53174.4-61.9167.7000109.7I1122 L1136 M1152 I1153 A1156 Q1160 R1161 H1166 K1167 I1168I1122-I1164 HydrophobicContact CG2-CD1 3.83Å; I1122-I1164 HydrophobicContact CG2-CG1 4.19Å; L1136-I1164 HydrophobicContact CD2-CG2 4.35Å; M1152-I1164 HydrophobicContact CB-CD1 4.38Å; I1153-I1164 HydrophobicContact CG1-CG2 3.88Å; A1156-I1164 HydrophobicContact CB-CD1 3.83Å; Q1160-I1164 WeakPolarHBondContact O-CG1 3.42Å; Q1160-I1164 PolarHBondContact O-N 3.38Å; R1161-I1164 PolarHBondContact O-N 3.05Å; I1164-H1166 VanDerWaalsContact C-N 3.3Å; I1164-H1166 PolarHBondContact O-N 3.02Å; I1164-K1167 PolarHBondContact O-N 3.31Å; I1164-I1168 HydrophobicContact CG2-CD1 3.64Å; I1164-I1168 HydrophobicContact CG2-CG1 4.19Å; I1164-I1168 WeakPolarHBondContact O-CG1 3.49Å; I1164-I1168 PolarHBondContact O-N 3.47Å
1165M90.4Very high91.8Very high2 Ų255.1 Ų55.11%0.0130%0.297CS..Hα-helixtrans-56.8-42.5-179.1-66.1-78.8169.500112.1I1153 R1161 K1162 I1168 R1169 L1188 Y1191 L1200I1153-M1165 HydrophobicContact CG2-CE 3.84Å; R1161-M1165 HydrophobicContact CG-CE 3.95Å; R1161-M1165 HydrophobicContact CG-CG 4.45Å; R1161-M1165 WeakPolarHBondContact O-CB 3.24Å; R1161-M1165 WeakPolarHBondContact O-CG 3.24Å; R1161-M1165 PolarHBondContact O-N 2.88Å; K1162-M1165 PolarHBondContact O-N 3.3Å; M1165-I1168 PolarHBondContact O-N 3.46Å; M1165-R1169 WeakPolarHBondContact O-CB 3.48Å; M1165-R1169 PolarHBondContact O-N 2.89Å; M1165-L1188 HydrophobicContact CE-CD2 3.54Å; M1165-L1188 HydrophobicContact SD-CD1 4.43Å; M1165-L1188 HydrophobicContact SD-CD2 3.53Å; M1165-L1188 VanDerWaalsContact SD-CD2 3.53Å; M1165-Y1191 HydrophobicContact CE-CD1 3.42Å; M1165-Y1191 VanDerWaalsContact CE-CD1 3.42Å; M1165-Y1191 HydrophobicContact CE-CE1 3.91Å; M1165-Y1191 HydrophobicContact CE-CG 3.81Å; M1165-Y1191 HydrophobicContact SD-CD1 4.39Å; M1165-L1200 HydrophobicContact CB-CD1 3.76Å; M1165-L1200 HydrophobicContact CG-CD1 3.97Å
1166H91Very high91.7Very high135 Ų13559.5 Ų59.563%0.62531%0.309SS*.Hα-helixtrans-62.5-43.1175.7-176.397.7000111.9K1162 I1163 I1164 R1169 P1170K1162-H1166 WeakPolarHBondContact O-CB 3.35Å; K1162-H1166 PolarHBondContact O-N 2.99Å; I1163-H1166 PolarHBondContact O-N 2.85Å; I1164-H1166 VanDerWaalsContact C-N 3.3Å; I1164-H1166 PolarHBondContact O-N 3.02Å; H1166-R1169 PolarHBondContact O-N 2.98Å; H1166-P1170 WeakPolarHBondContact O-CD 3.48Å
1167K91.2Very high91.6Very high73 Ų7367.9 Ų67.932%0.31735%0.345SS..Hα-helixtrans-71.6-26.4177.9-70.7170.6-178-87.70113.4C1126 L1136 I1163 I1164 H1171C1126-K1167 HydrophobicContact CB-CD 3.86Å; C1126-K1167 WeakPolarHBondContact O-CD 3.47Å; C1126-K1167 VanDerWaalsContact O-CE 3.24Å; C1126-K1167 WeakPolarHBondContact O-CE 3.43Å; C1126-K1167 PolarHBondContact O-NZ 3.45Å; L1136-K1167 HydrophobicContact CD2-CB 3.72Å; I1163-K1167 HydrophobicContact CG2-CD 4.09Å; I1163-K1167 WeakPolarHBondContact O-CG 3.21Å; I1163-K1167 PolarHBondContact O-N 2.91Å; I1164-K1167 PolarHBondContact O-N 3.31Å; K1167-H1171 PolarHBondContact O-CD2 3.41Å; K1167-H1171 VanDerWaalsContact O-CD2 3.3Å
1168I93.4Very high91.7Very high0 Ų067.7 Ų67.70%034%0.341CS..Hα-helixtrans-79.5-34.4174.2-59178.2000111.9L1136 M1140 V1149 I1153 I1164 M1165 H1171 L1175 I1184 L1188L1136-I1168 HydrophobicContact CD2-CG1 3.95Å; L1136-I1168 HydrophobicContact CG-CG1 4.42Å; M1140-I1168 HydrophobicContact CE-CB 4.43Å; M1140-I1168 HydrophobicContact CE-CG1 4.01Å; M1140-I1168 HydrophobicContact CE-CG2 4.22Å; M1140-I1168 HydrophobicContact SD-CB 4.1Å; M1140-I1168 HydrophobicContact SD-CD1 3.73Å; M1140-I1168 HydrophobicContact SD-CG1 3.52Å; M1140-I1168 VanDerWaalsContact SD-CG1 3.52Å; M1140-I1168 HydrophobicContact SD-CG2 3.61Å; V1149-I1168 HydrophobicContact CG1-CD1 4.4Å; I1153-I1168 HydrophobicContact CD1-CD1 3.99Å; I1164-I1168 HydrophobicContact CG2-CD1 3.64Å; I1164-I1168 HydrophobicContact CG2-CG1 4.19Å; I1164-I1168 WeakPolarHBondContact O-CG1 3.49Å; I1164-I1168 PolarHBondContact O-N 3.47Å; M1165-I1168 PolarHBondContact O-N 3.46Å; I1168-H1171 PolarHBondContact O-N 2.8Å; I1168-L1175 HydrophobicContact CG2-CD1 3.8Å; I1168-I1184 HydrophobicContact CD1-CG2 4.14Å; I1168-L1188 HydrophobicContact CB-CD1 4.3Å; I1168-L1188 HydrophobicContact CD1-CD1 4.4Å; I1168-L1188 HydrophobicContact CG2-CD1 3.68Å
1169R91.5Very high91.8Very high88 Ų8868.4 Ų68.433%0.33235%0.345SS..G310 helixtrans-49.2-46.1-172.3-177.9-179.3-80.2-165.3-9.4114.6M1165 H1166 H1171 I1172 G1201M1165-R1169 WeakPolarHBondContact O-CB 3.48Å; M1165-R1169 PolarHBondContact O-N 2.89Å; H1166-R1169 PolarHBondContact O-N 2.98Å; R1169-H1171 PolarHBondContact O-N 3.47Å; R1169-I1172 WeakPolarHBondContact O-CG1 3.37Å; R1169-I1172 PolarHBondContact O-N 3.21Å; R1169-G1201 PolarHBondContact NH2-O 2.89Å
1170P92.9Very high92Very high97 Ų9769 Ų6963%0.6333%0.332SS*.G310 helixtrans-61.6-24.7177-24.434.8000114.6H1166H1166-P1170 WeakPolarHBondContact O-CD 3.48Å
1171H92.4Very high92.1Very high47 Ų4767.5 Ų67.522%0.21833%0.325CS..G310 helixtrans-94.6-6-173.2-57.3-56.6000113.7Y1137 M1140 K1167 I1168 R1169 A1173 T1174 L1175Y1137-H1171 HydrophobicContact CD2-CB 3.97Å; Y1137-H1171 AromaticContact CD2-CD2 3.75Å; Y1137-H1171 AromaticContact CD2-CE1 3.76Å; Y1137-H1171 AromaticContact CD2-CG 3.47Å; Y1137-H1171 VanDerWaalsContact CD2-CG 3.47Å; Y1137-H1171 AromaticContact CD2-ND1 3.49Å; Y1137-H1171 WeakPolarHBondContact CD2-ND1 3.28Å; Y1137-H1171 AromaticContact CD2-NE2 3.92Å; Y1137-H1171 HydrophobicContact CE2-CB 4.12Å; Y1137-H1171 AromaticContact CE2-CG 3.87Å; Y1137-H1171 AromaticContact CE2-ND1 3.63Å; M1140-H1171 HydrophobicContact CE-CB 4.43Å; K1167-H1171 PolarHBondContact O-CD2 3.41Å; K1167-H1171 VanDerWaalsContact O-CD2 3.3Å; I1168-H1171 PolarHBondContact O-N 2.8Å; R1169-H1171 PolarHBondContact O-N 3.47Å; H1171-A1173 VanDerWaalsContact C-N 3.34Å; H1171-A1173 PolarHBondContact O-N 2.89Å; H1171-T1174 CarbonylContact O-C 3.46Å; H1171-T1174 WeakPolarHBondContact O-CA 3.38Å; H1171-T1174 PolarHBondContact O-N 3.37Å; H1171-L1175 HydrophobicContact CB-CD1 3.97Å; H1171-L1175 HydrophobicContact CB-CG 4.13Å; H1171-L1175 WeakPolarHBondContact O-CG 3.13Å; H1171-L1175 PolarHBondContact O-N 3.06Å
1172I91.6Very high92.1Very high49 Ų4970.4 Ų70.425%0.25134%0.339SS..Hα-helixtrans-52.6-47.4-173.5-70.2173.5000112.6R1169 T1174 L1175 R1176 L1185R1169-I1172 WeakPolarHBondContact O-CG1 3.37Å; R1169-I1172 PolarHBondContact O-N 3.21Å; I1172-T1174 VanDerWaalsContact C-N 3.25Å; I1172-T1174 PolarHBondContact O-N 2.79Å; I1172-L1175 PolarHBondContact O-N 3.15Å; I1172-R1176 PolarHBondContact O-N 2.79Å; I1172-L1185 HydrophobicContact CB-CD2 4.23Å; I1172-L1185 HydrophobicContact CG1-CD2 3.97Å; I1172-L1185 HydrophobicContact CG2-CD1 4.48Å; I1172-L1185 HydrophobicContact CG2-CD2 4.04Å; I1172-L1185 WeakPolarHBondContact O-CD1 3.45Å
1173A90.8Very high92.3Very high72 Ų7270.4 Ų70.460%0.59534%0.34SS*.Hα-helixtrans-64.3-29.5179.900000113.2H1171H1171-A1173 VanDerWaalsContact C-N 3.34Å; H1171-A1173 PolarHBondContact O-N 2.89Å
1174T90.2Very high92.4Very high52 Ų5266.5 Ų66.532%0.31932%0.32SS..Hα-helixtrans-84.6-37.5178.8-39.70000111.6H1171 I1172 R1176 K1177 Y1178H1171-T1174 CarbonylContact O-C 3.46Å; H1171-T1174 WeakPolarHBondContact O-CA 3.38Å; H1171-T1174 PolarHBondContact O-N 3.37Å; I1172-T1174 VanDerWaalsContact C-N 3.25Å; I1172-T1174 PolarHBondContact O-N 2.79Å; T1174-R1176 PolarHBondContact O-N 3.04Å; T1174-K1177 WeakPolarHBondContact O-CB 3.25Å; T1174-K1177 PolarHBondContact O-N 2.88Å; T1174-Y1178 HydrophobicContact CG2-CD2 4.39Å; T1174-Y1178 HydrophobicContact CG2-CE2 3.72Å; T1174-Y1178 WeakPolarHBondContact O-CD2 3.33Å
1175L92.9Very high92.3Very high0 Ų066.8 Ų66.80%032%0.321CS..Hα-helixtrans-61.1-31.1178.1-72.1167.5000112.5M1140 K1141 I1168 H1171 I1172 K1177 Y1178 G1181 K1182 L1185M1140-L1175 HydrophobicContact CB-CD2 3.76Å; M1140-L1175 HydrophobicContact CE-CD1 3.95Å; M1140-L1175 HydrophobicContact CE-CD2 4.33Å; M1140-L1175 HydrophobicContact SD-CD1 3.62Å; M1140-L1175 HydrophobicContact SD-CD2 4.21Å; K1141-L1175 HydrophobicContact CG-CD2 4.4Å; I1168-L1175 HydrophobicContact CG2-CD1 3.8Å; H1171-L1175 HydrophobicContact CB-CD1 3.97Å; H1171-L1175 HydrophobicContact CB-CG 4.13Å; H1171-L1175 WeakPolarHBondContact O-CG 3.13Å; H1171-L1175 PolarHBondContact O-N 3.06Å; I1172-L1175 PolarHBondContact O-N 3.15Å; L1175-K1177 PolarHBondContact O-N 3.38Å; L1175-Y1178 PolarHBondContact O-N 3.06Å; L1175-Y1178 VanDerWaalsContact O-N 3.14Å; L1175-G1181 CarbonylContact O-C 3.5Å; L1175-K1182 PolarHBondContact O-N 3.46Å; L1175-L1185 HydrophobicContact CB-CD1 3.87Å; L1175-L1185 HydrophobicContact CB-CD2 4.1Å; L1175-L1185 HydrophobicContact CB-CG 3.98Å; L1175-L1185 HydrophobicContact CD1-CD2 4.06Å
1176R92.6Very high92.4Very high165 Ų16568.7 Ų68.762%0.62334%0.337SS*.THydrogen-bonded Turntrans-57.6-25.1170.7-71-173.9170.7167.3-3113.6I1172 T1174 L1185 E1189I1172-R1176 PolarHBondContact O-N 2.79Å; T1174-R1176 PolarHBondContact O-N 3.04Å; R1176-L1185 HydrophobicContact CB-CD1 4.21Å; R1176-L1185 HydrophobicContact CG-CD1 3.27Å; R1176-E1189 IonicContact NH2-OE1 3.62Å
1177K92.7Very high92.3Very high179 Ų17964.7 Ų64.778%0.77832%0.318SS*.THydrogen-bonded Turntrans-90.6-10.2-179.3-54-177-178.9-177.80113.5T1174 L1175T1174-K1177 WeakPolarHBondContact O-CB 3.25Å; T1174-K1177 PolarHBondContact O-N 2.88Å; L1175-K1177 PolarHBondContact O-N 3.38Å
1178Y92.9Very high92.1Very high81 Ų8161.4 Ų61.432%0.31830%0.304SS..SBendtrans-101.9135.8-178.1-71.8-62.5000112K1141 T1174 L1175 Y1180 G1181 K1182K1141-Y1178 HydrophobicContact CD-CD2 3.87Å; K1141-Y1178 HydrophobicContact CD-CE1 4.46Å; K1141-Y1178 HydrophobicContact CD-CE2 3.53Å; K1141-Y1178 HydrophobicContact CD-CG 4.44Å; K1141-Y1178 VanDerWaalsContact CE-CZ 3.41Å; K1141-Y1178 HydrophobicContact CG-CD1 4.5Å; K1141-Y1178 HydrophobicContact CG-CD2 3.66Å; K1141-Y1178 HydrophobicContact CG-CE2 3.9Å; K1141-Y1178 HydrophobicContact CG-CG 3.98Å; K1141-Y1178 PolarHBondContact NZ-OH 2.99Å; T1174-Y1178 HydrophobicContact CG2-CD2 4.39Å; T1174-Y1178 HydrophobicContact CG2-CE2 3.72Å; T1174-Y1178 WeakPolarHBondContact O-CD2 3.33Å; L1175-Y1178 PolarHBondContact O-N 3.06Å; L1175-Y1178 VanDerWaalsContact O-N 3.14Å; Y1178-Y1180 PolarHBondContact O-N 3Å; Y1178-Y1180 VanDerWaalsContact O-N 3.14Å; Y1178-G1181 PolarHBondContact O-N 3.43Å; Y1178-K1182 PolarHBondContact O-N 2.93Å
1179T93.8Very high91.7Very high89 Ų8965.8 Ų65.855%0.54633%0.325SS..THydrogen-bonded Turntrans-50.6-41.8-176.8-52.90000113.1K1182T1179-K1182 VanDerWaalsContact O-CD 3.3Å; T1179-K1182 WeakPolarHBondContact O-CD 3.45Å; T1179-K1182 WeakPolarHBondContact O-CE 3.49Å; T1179-K1182 WeakPolarHBondContact O-CG 3.4Å; T1179-K1182 PolarHBondContact O-NZ 3.22Å
1180Y95.1Very high91.2Very high84 Ų8469 Ų6933%0.32934%0.341SS..THydrogen-bonded Turntrans-96.7-34.5-178.9-52.5-74.5000112.8K1141 D1142 Q1143 Y1178 K1182 H1183K1141-Y1180 WeakPolarHBondContact O-CD2 3.35Å; D1142-Y1180 WeakPolarHBondContact O-CB 3.34Å; Q1143-Y1180 HydrophobicContact CB-CD1 4.18Å; Q1143-Y1180 HydrophobicContact CB-CD2 4.17Å; Q1143-Y1180 HydrophobicContact CB-CE1 3.66Å; Q1143-Y1180 HydrophobicContact CB-CE2 3.66Å; Q1143-Y1180 HydrophobicContact CB-CG 4.41Å; Y1178-Y1180 PolarHBondContact O-N 3Å; Y1178-Y1180 VanDerWaalsContact O-N 3.14Å; Y1180-K1182 PolarHBondContact O-N 3.23Å; Y1180-K1182 VanDerWaalsContact O-N 3.15Å; Y1180-H1183 WeakPolarHBondContact O-CB 3.06Å; Y1180-H1183 PolarHBondContact O-N 3.06Å
1181G92.9Very high90.3Very high0 Ų066.1 Ų66.10%032%0.318CS..Hα-helixtrans-56.9-31.4179.400000114.4M1140 L1175 Y1178 H1183 I1184 L1185M1140-G1181 VanDerWaalsContact O-CA 3.26Å; M1140-G1181 WeakPolarHBondContact O-CA 3.35Å; M1140-G1181 PolarHBondContact O-N 3.35Å; L1175-G1181 CarbonylContact O-C 3.5Å; Y1178-G1181 PolarHBondContact O-N 3.43Å; G1181-H1183 PolarHBondContact O-N 2.83Å; G1181-I1184 WeakPolarHBondContact O-CB 3.43Å; G1181-I1184 PolarHBondContact O-N 3.36Å; G1181-L1185 PolarHBondContact O-N 3.04Å
1182K93Very high89.2Confident100 Ų10066.9 Ų66.944%0.43532%0.319SS..Hα-helixtrans-59.8-28.2173.676.9-164.6-174-160.30113.7L1175 Y1178 T1179 Y1180 L1185 A1186L1175-K1182 PolarHBondContact O-N 3.46Å; Y1178-K1182 PolarHBondContact O-N 2.93Å; T1179-K1182 VanDerWaalsContact O-CD 3.3Å; T1179-K1182 WeakPolarHBondContact O-CD 3.45Å; T1179-K1182 WeakPolarHBondContact O-CE 3.49Å; T1179-K1182 WeakPolarHBondContact O-CG 3.4Å; T1179-K1182 PolarHBondContact O-NZ 3.22Å; Y1180-K1182 PolarHBondContact O-N 3.23Å; Y1180-K1182 VanDerWaalsContact O-N 3.15Å; K1182-L1185 PolarHBondContact O-N 2.96Å; K1182-A1186 PolarHBondContact O-N 3.47Å
1183H93.1Very high87.8Confident80 Ų8069.4 Ų69.437%0.3733%0.331SS..Hα-helixtrans-73.8-34.2178.3-62.5-61.9000111.7Y1180 G1181 L1185 A1186 K1187Y1180-H1183 WeakPolarHBondContact O-CB 3.06Å; Y1180-H1183 PolarHBondContact O-N 3.06Å; G1181-H1183 PolarHBondContact O-N 2.83Å; H1183-L1185 VanDerWaalsContact C-N 3.29Å; H1183-L1185 PolarHBondContact O-N 2.65Å; H1183-A1186 PolarHBondContact O-N 3.01Å; H1183-K1187 WeakPolarHBondContact O-CB 3.48Å; H1183-K1187 PolarHBondContact O-N 2.75Å
1184I94.1Very high86.3Confident0 Ų070.7 Ų70.70%032%0.323CS..Hα-helixtrans-58.9-44.2168.8-50-58.8000110M1140 N1146 V1149 Q1150 I1153 I1168 G1181 K1187 L1188M1140-I1184 HydrophobicContact CB-CG1 4Å; M1140-I1184 HydrophobicContact CG-CD1 4.33Å; M1140-I1184 HydrophobicContact CG-CG1 3.91Å; M1140-I1184 HydrophobicContact CG-CG2 4.25Å; M1140-I1184 HydrophobicContact SD-CG1 4.47Å; M1140-I1184 HydrophobicContact SD-CG2 3.89Å; N1146-I1184 HydrophobicContact CB-CD1 3.9Å; N1146-I1184 WeakPolarHBondContact O-CD1 3.48Å; V1149-I1184 HydrophobicContact CB-CD1 4.1Å; V1149-I1184 HydrophobicContact CG1-CD1 4.12Å; Q1150-I1184 HydrophobicContact CG-CD1 3.86Å; I1153-I1184 HydrophobicContact CD1-CG2 4.39Å; I1168-I1184 HydrophobicContact CD1-CG2 4.14Å; G1181-I1184 WeakPolarHBondContact O-CB 3.43Å; G1181-I1184 PolarHBondContact O-N 3.36Å; I1184-K1187 CarbonylContact O-C 3.07Å; I1184-K1187 WeakPolarHBondContact O-CB 3.33Å; I1184-K1187 PolarHBondContact O-N 3.45Å; I1184-K1187 VanDerWaalsContact O-N 3.16Å; I1184-L1188 HydrophobicContact CG2-CG 4.34Å; I1184-L1188 WeakPolarHBondContact O-CG 3.31Å; I1184-L1188 PolarHBondContact O-N 2.94Å
1185L90.8Very high84.8Confident9 Ų968.7 Ų68.75%0.04731%0.311CS..Hα-helixtrans-65.2-44.7179.6-58.5-177000112.5I1172 L1175 R1176 G1181 K1182 H1183 K1187 L1188 E1189I1172-L1185 HydrophobicContact CB-CD2 4.23Å; I1172-L1185 HydrophobicContact CG1-CD2 3.97Å; I1172-L1185 HydrophobicContact CG2-CD1 4.48Å; I1172-L1185 HydrophobicContact CG2-CD2 4.04Å; I1172-L1185 WeakPolarHBondContact O-CD1 3.45Å; L1175-L1185 HydrophobicContact CB-CD1 3.87Å; L1175-L1185 HydrophobicContact CB-CD2 4.1Å; L1175-L1185 HydrophobicContact CB-CG 3.98Å; L1175-L1185 HydrophobicContact CD1-CD2 4.06Å; R1176-L1185 HydrophobicContact CB-CD1 4.21Å; R1176-L1185 HydrophobicContact CG-CD1 3.27Å; G1181-L1185 PolarHBondContact O-N 3.04Å; K1182-L1185 PolarHBondContact O-N 2.96Å; H1183-L1185 VanDerWaalsContact C-N 3.29Å; H1183-L1185 PolarHBondContact O-N 2.65Å; L1185-K1187 PolarHBondContact O-N 2.84Å; L1185-L1188 CarbonylContact O-C 3.56Å; L1185-L1188 PolarHBondContact O-N 2.96Å; L1185-E1189 WeakPolarHBondContact O-CB 3.41Å; L1185-E1189 WeakPolarHBondContact O-CG 3.01Å; L1185-E1189 PolarHBondContact O-N 3.26Å
1186A90.8Very high82.8Confident42 Ų4269.8 Ų69.835%0.34732%0.323SS..Hα-helixtrans-62.8-27.3174.200000112.9K1182 H1183 K1190K1182-A1186 PolarHBondContact O-N 3.47Å; H1183-A1186 PolarHBondContact O-N 3.01Å; A1186-K1190 WeakPolarHBondContact O-CB 3.09Å; A1186-K1190 WeakPolarHBondContact O-CD 3.31Å; A1186-K1190 VanDerWaalsContact O-CG 3.24Å; A1186-K1190 WeakPolarHBondContact O-CG 3.41Å; A1186-K1190 PolarHBondContact O-N 3.2Å
1187K89.7Confident80.8Confident52 Ų5264.6 Ų64.623%0.22632%0.32CS..Hα-helixtrans-73.5-40.4170.5-175.976.6174.4-173.40111.7Q1150 D1154 H1183 I1184 L1185 K1190 Y1191Q1150-K1187 HydrophobicContact CB-CD 4.45Å; Q1150-K1187 HydrophobicContact CB-CG 4.36Å; Q1150-K1187 HydrophobicContact CG-CB 4.12Å; Q1150-K1187 HydrophobicContact CG-CD 4.37Å; Q1150-K1187 HydrophobicContact CG-CG 3.98Å; D1154-K1187 WeakPolarHBondContact OD1-CE 3.41Å; D1154-K1187 IonicContact OD1-NZ 3.36Å; D1154-K1187 PolarHBondContact OD1-NZ 2.81Å; D1154-K1187 WeakPolarHBondContact OD2-CE 3.26Å; D1154-K1187 IonicContact OD2-NZ 3.42Å; D1154-K1187 PolarHBondContact OD2-NZ 2.66Å; H1183-K1187 WeakPolarHBondContact O-CB 3.48Å; H1183-K1187 PolarHBondContact O-N 2.75Å; I1184-K1187 CarbonylContact O-C 3.07Å; I1184-K1187 WeakPolarHBondContact O-CB 3.33Å; I1184-K1187 PolarHBondContact O-N 3.45Å; I1184-K1187 VanDerWaalsContact O-N 3.16Å; L1185-K1187 PolarHBondContact O-N 2.84Å; K1187-K1190 CarbonylContact O-C 3.54Å; K1187-Y1191 PolarHBondContact O-N 2.71Å
1188L87Confident78.5Confident4 Ų461.3 Ų61.32%0.02132%0.32CS..Hα-helixtrans-69.8-42.6177.6-69.4-163.2000112.6I1153 M1165 I1168 I1184 L1185 K1190 Y1191 Y1192I1153-L1188 HydrophobicContact CD1-CD2 3.84Å; I1153-L1188 HydrophobicContact CG2-CD2 4.47Å; M1165-L1188 HydrophobicContact CE-CD2 3.54Å; M1165-L1188 HydrophobicContact SD-CD1 4.43Å; M1165-L1188 HydrophobicContact SD-CD2 3.53Å; M1165-L1188 VanDerWaalsContact SD-CD2 3.53Å; I1168-L1188 HydrophobicContact CB-CD1 4.3Å; I1168-L1188 HydrophobicContact CD1-CD1 4.4Å; I1168-L1188 HydrophobicContact CG2-CD1 3.68Å; I1184-L1188 HydrophobicContact CG2-CG 4.34Å; I1184-L1188 WeakPolarHBondContact O-CG 3.31Å; I1184-L1188 PolarHBondContact O-N 2.94Å; L1185-L1188 CarbonylContact O-C 3.56Å; L1185-L1188 PolarHBondContact O-N 2.96Å; L1188-K1190 VanDerWaalsContact C-N 3.31Å; L1188-K1190 PolarHBondContact O-N 3.43Å; L1188-Y1191 CarbonylContact O-C 3.53Å; L1188-Y1191 WeakPolarHBondContact O-CA 3.49Å; L1188-Y1191 WeakPolarHBondContact O-CB 3.26Å; L1188-Y1191 PolarHBondContact O-N 3.4Å; L1188-Y1192 HydrophobicContact CB-CD2 4.4Å; L1188-Y1192 HydrophobicContact CB-CE2 4.22Å; L1188-Y1192 WeakPolarHBondContact O-CD2 3.32Å; L1188-Y1192 PolarHBondContact O-N 2.71Å
1189E85.2Confident76.4Confident92 Ų9260.8 Ų60.843%0.4332%0.321SS..Hα-helixtrans-57.7-46.9173.4-71.7162.6178.800109.6R1176 L1185 Y1191 Y1192 M1193R1176-E1189 IonicContact NH2-OE1 3.62Å; L1185-E1189 WeakPolarHBondContact O-CB 3.41Å; L1185-E1189 WeakPolarHBondContact O-CG 3.01Å; L1185-E1189 PolarHBondContact O-N 3.26Å; E1189-Y1191 PolarHBondContact O-N 3.25Å; E1189-Y1191 VanDerWaalsContact O-N 3.15Å; E1189-Y1192 PolarHBondContact O-N 2.81Å; E1189-M1193 WeakPolarHBondContact O-CB 3.07Å; E1189-M1193 VanDerWaalsContact O-CG 3.31Å; E1189-M1193 WeakPolarHBondContact O-CG 3.29Å; E1189-M1193 PolarHBondContact O-N 2.78Å
1190K81.8Confident74.3Confident156 Ų15658.9 Ų58.968%0.67831%0.307SS*.Hα-helixtrans-64.8-8.9169.7-74.8178.5-179.4-178.70115.7A1186 K1187 L1188 K1194A1186-K1190 WeakPolarHBondContact O-CB 3.09Å; A1186-K1190 WeakPolarHBondContact O-CD 3.31Å; A1186-K1190 VanDerWaalsContact O-CG 3.24Å; A1186-K1190 WeakPolarHBondContact O-CG 3.41Å; A1186-K1190 PolarHBondContact O-N 3.2Å; K1187-K1190 CarbonylContact O-C 3.54Å; L1188-K1190 VanDerWaalsContact C-N 3.31Å; L1188-K1190 PolarHBondContact O-N 3.43Å; K1190-K1194 VanDerWaalsContact O-CB 3.25Å; K1190-K1194 WeakPolarHBondContact O-CB 3.12Å; K1190-K1194 VanDerWaalsContact O-CG 3.28Å; K1190-K1194 WeakPolarHBondContact O-CG 3.26Å
1191Y72.5Confident71.8Confident35 Ų3557.1 Ų57.114%0.13731%0.314CS..Hα-helixtrans-99.1-36.9171.7-175.2-89.8000111.7R1161 M1165 K1187 L1188 E1189 K1194 S1195R1161-Y1191 VanDerWaalsContact CD-CE2 3.44Å; R1161-Y1191 VanDerWaalsContact CD-OH 3.31Å; R1161-Y1191 WeakPolarHBondContact CD-OH 3.44Å; R1161-Y1191 PolarHBondContact NH1-OH 2.95Å; M1165-Y1191 HydrophobicContact CE-CD1 3.42Å; M1165-Y1191 VanDerWaalsContact CE-CD1 3.42Å; M1165-Y1191 HydrophobicContact CE-CE1 3.91Å; M1165-Y1191 HydrophobicContact CE-CG 3.81Å; M1165-Y1191 HydrophobicContact SD-CD1 4.39Å; K1187-Y1191 PolarHBondContact O-N 2.71Å; L1188-Y1191 CarbonylContact O-C 3.53Å; L1188-Y1191 WeakPolarHBondContact O-CA 3.49Å; L1188-Y1191 WeakPolarHBondContact O-CB 3.26Å; L1188-Y1191 PolarHBondContact O-N 3.4Å; E1189-Y1191 PolarHBondContact O-N 3.25Å; E1189-Y1191 VanDerWaalsContact O-N 3.15Å; Y1191-K1194 CarbonylContact O-C 3.54Å; Y1191-K1194 WeakPolarHBondContact O-CA 3.47Å; Y1191-K1194 WeakPolarHBondContact O-CB 3.38Å; Y1191-K1194 PolarHBondContact O-N 3.35Å; Y1191-S1195 WeakPolarHBondContact CD1-OG 3.17Å; Y1191-S1195 WeakPolarHBondContact CE1-OG 3.24Å; Y1191-S1195 VanDerWaalsContact O-CB 3.29Å; Y1191-S1195 WeakPolarHBondContact O-CB 3.48Å; Y1191-S1195 PolarHBondContact O-N 3.32Å; Y1191-S1195 PolarHBondContact O-OG 2.75Å
1192Y70.8Confident69.3Low64 Ų6463 Ų6325%0.25135%0.352SS..Hα-helixtrans-63.4-50.2172.7-74.5-65.3000110.3L1188 E1189 K1194 S1195 L1200L1188-Y1192 HydrophobicContact CB-CD2 4.4Å; L1188-Y1192 HydrophobicContact CB-CE2 4.22Å; L1188-Y1192 WeakPolarHBondContact O-CD2 3.32Å; L1188-Y1192 PolarHBondContact O-N 2.71Å; E1189-Y1192 PolarHBondContact O-N 2.81Å; Y1192-K1194 PolarHBondContact O-N 3.23Å; Y1192-S1195 PolarHBondContact O-N 3.32Å; Y1192-L1200 HydrophobicContact CE1-CD1 4.01Å
1193M61.1Low67.1Low102 Ų10265.3 Ų65.350%0.50237%0.368SS..THydrogen-bonded Turntrans-6622170.9-55.6-179.282.200114.4E165 W167 E1189E165-M1193 VanDerWaalsContact OE1-CE 3.26Å; E165-M1193 WeakPolarHBondContact OE1-CE 3.23Å; E165-M1193 WeakPolarHBondContact OE2-CA 3.41Å; W167-M1193 VanDerWaalsContact CD1-O 3.24Å; W167-M1193 PolarHBondContact NE1-O 2.87Å; E1189-M1193 WeakPolarHBondContact O-CB 3.07Å; E1189-M1193 VanDerWaalsContact O-CG 3.31Å; E1189-M1193 WeakPolarHBondContact O-CG 3.29Å; E1189-M1193 PolarHBondContact O-N 2.78Å
1194K59.7Low64.3Low98 Ų9864.4 Ų64.443%0.42638%0.38SS..THydrogen-bonded Turntrans-140.1-0.7-169.6-122.8-96.5-176.1-173.60112.5W167 K1190 Y1191 Y1192W167-K1194 HydrophobicContact CE3-CD 4.16Å; W167-K1194 HydrophobicContact CH2-CD 3.44Å; W167-K1194 VanDerWaalsContact CH2-CD 3.44Å; W167-K1194 HydrophobicContact CH2-CG 3.96Å; W167-K1194 HydrophobicContact CZ2-CD 3.74Å; W167-K1194 HydrophobicContact CZ2-CG 3.68Å; W167-K1194 HydrophobicContact CZ3-CD 3.62Å; W167-K1194 HydrophobicContact CZ3-CG 4.36Å; K1190-K1194 VanDerWaalsContact O-CB 3.25Å; K1190-K1194 WeakPolarHBondContact O-CB 3.12Å; K1190-K1194 VanDerWaalsContact O-CG 3.28Å; K1190-K1194 WeakPolarHBondContact O-CG 3.26Å; Y1191-K1194 CarbonylContact O-C 3.54Å; Y1191-K1194 WeakPolarHBondContact O-CA 3.47Å; Y1191-K1194 WeakPolarHBondContact O-CB 3.38Å; Y1191-K1194 PolarHBondContact O-N 3.35Å; Y1192-K1194 PolarHBondContact O-N 3.23Å
1195S59.1Low61.5Low10 Ų1067.3 Ų67.37%0.0741%0.41CS..THydrogen-bonded Turntrans-132.88.8-156.6-68.60000116.8E166 R168 Y1191 Y1192 G1197E166-S1195 PolarHBondContact OE1-N 3.37Å; R168-S1195 VanDerWaalsContact NE-C 3.35Å; R168-S1195 PolarHBondContact NE-O 2.64Å; R168-S1195 PolarHBondContact NH2-O 3.26Å; Y1191-S1195 WeakPolarHBondContact CD1-OG 3.17Å; Y1191-S1195 WeakPolarHBondContact CE1-OG 3.24Å; Y1191-S1195 VanDerWaalsContact O-CB 3.29Å; Y1191-S1195 WeakPolarHBondContact O-CB 3.48Å; Y1191-S1195 PolarHBondContact O-N 3.32Å; Y1191-S1195 PolarHBondContact O-OG 2.75Å; Y1192-S1195 PolarHBondContact O-N 3.32Å; S1195-G1197 VanDerWaalsContact C-N 3.28Å; S1195-G1197 PolarHBondContact O-N 3.05Å
1196G49.7Very low59Low24 Ų2472.7 Ų72.725%0.24745%0.446CS..THydrogen-bonded Turntrans69.418.1179.800000115.2E166 S1198E166-G1196 VanDerWaalsContact CD-CA 3.45Å; E166-G1196 VanDerWaalsContact CD-N 3.3Å; E166-G1196 VanDerWaalsContact OE1-CA 3.26Å; E166-G1196 WeakPolarHBondContact OE1-CA 3.15Å; E166-G1196 PolarHBondContact OE1-N 3.43Å; G1196-S1198 VanDerWaalsContact O-CB 3.26Å; G1196-S1198 WeakPolarHBondContact O-CB 3.08Å; G1196-S1198 PolarHBondContact O-N 3.45Å; G1196-S1198 PolarHBondContact O-OG 3.18Å
1197G50.8Low56.5Low55 Ų5577.2 Ų77.257%0.56747%0.469SS*.SBendtrans65.6-11.5166.300000117.3E166 S1195E166-G1197 PolarHBondContact OE1-N 2.72Å; E166-G1197 WeakPolarHBondContact OE2-CA 2.81Å; E166-G1197 PolarHBondContact OE2-N 2.88Å; S1195-G1197 VanDerWaalsContact C-N 3.28Å; S1195-G1197 PolarHBondContact O-N 3.05Å
1198S45.8Very low54.2Low110 Ų11082.3 Ų82.377%0.76950%0.499SS*.  trans-121.7-13.3-157.5-51.30000113.1G1196 L1200G1196-S1198 VanDerWaalsContact O-CB 3.26Å; G1196-S1198 WeakPolarHBondContact O-CB 3.08Å; G1196-S1198 PolarHBondContact O-N 3.45Å; G1196-S1198 PolarHBondContact O-OG 3.18Å; S1198-L1200 VanDerWaalsContact C-N 3.29Å; S1198-L1200 PolarHBondContact O-N 2.85Å
1199E48.3Very low52Low71 Ų7185.4 Ų85.433%0.33253%0.532SS..SBendtrans-76.3-12.6179.4-89.7-142.492.900114.6R168 K1162R168-E1199 IonicContact CZ-OE2 2.68Å; R168-E1199 IonicContact NH1-OE2 2.7Å; R168-E1199 IonicContact NH2-OE2 2.89Å; R168-E1199 PolarHBondContact NH2-OE2 2.74Å; K1162-E1199 WeakPolarHBondContact CE-O 3.06Å; K1162-E1199 WeakPolarHBondContact CE-OE1 3.5Å; K1162-E1199 IonicContact NZ-OE1 2.79Å; K1162-E1199 PolarHBondContact NZ-OE1 3.3Å
1200L49.7Very low49.7Very low48 Ų4888.9 Ų88.925%0.25155%0.553SS.*SBendtrans-136.5110.7173.5-77.3173.4000108.2K1162 M1165 Y1192 S1198K1162-L1200 HydrophobicContact CB-CD2 4.38Å; K1162-L1200 HydrophobicContact CG-CD2 4Å; K1162-L1200 HydrophobicContact CG-CG 4.49Å; M1165-L1200 HydrophobicContact CB-CD1 3.76Å; M1165-L1200 HydrophobicContact CG-CD1 3.97Å; Y1192-L1200 HydrophobicContact CE1-CD1 4.01Å; S1198-L1200 VanDerWaalsContact C-N 3.29Å; S1198-L1200 PolarHBondContact O-N 2.85Å
1201G41.4Very low47.5Very low47 Ų4794 Ų9449%0.48558%0.582SS.*  trans-53.8160.5-177.400000114.3R1169R1169-G1201 PolarHBondContact NH2-O 2.89Å
1202P41.3Very low46.2Very low123 Ų12396.9 Ų96.980%0.79960%0.604SS**  trans-54.6153.6-156.418.4-32.7000114.3G1204P1202-G1204 PolarHBondContact O-N 2.68Å
1203I46.8Very low44.9Very low149 Ų14998.6 Ų98.676%0.76462%0.623SS**  trans-75.269.6174.6-50.6178.5000108.7
1204G33.3Very low44Very low62 Ų6298.4 Ų98.464%0.63963%0.629SS**PPolyproline II helixtrans-65.7138.2167.700000110.3P1202P1202-G1204 PolarHBondContact O-N 2.68Å
1205G36.1Very low43.1Very low61 Ų6198.5 Ų98.563%0.62964%0.641SS**PPolyproline II helixtrans-65.5168.4169.200000111.8T1207G1205-T1207 PolarHBondContact O-N 2.7Å
1206P39.1Very low42.1Very low122 Ų122104 Ų10479%0.79268%0.677SS**PPolyproline II helixtrans-59.8129.8175.726.9-34.3000110.3N1208P1206-N1208 PolarHBondContact O-N 2.69Å
1207T36.9Very low41.6Very low136 Ų136109.3 Ų109.383%0.83471%0.706SS**  trans-69.899.1171.346.70000109.2G1205 G1209G1205-T1207 PolarHBondContact O-N 2.7Å; T1207-G1209 PolarHBondContact O-N 2.86Å
1208N43Very low40.9Very low159 Ų159113.2 Ų113.285%0.8572%0.716SS**  trans-56.4129.7162.8-79.2-19.1000108.3P1206P1206-N1208 PolarHBondContact O-N 2.69Å
1209G40.9Very low40.6Very low70 Ų70113.5 Ų113.572%0.72271%0.712SS**  trans-80.7175.8-153.700000116.2T1207T1207-G1209 PolarHBondContact O-N 2.86Å
1210L36.8Very low39.9Very low164 Ų164117 Ų11786%0.85974%0.743SS**  trans-154109.8159.7-111.5164.6000108.1
1211M33.9Very low39Very low263 Ų263123.3 Ų123.3100%1.29679%0.788SS**  trans60.80-178.3-59.4-168.2177.600116

Retrieved 1,211 of 1,211 residues in 3134.4 ms (Link to these results)