G4VA81_SCHMA Loading...

Putative adp-ribosylation factor interacting protein

AlphaFold DB , UniProt , Accession G4VA81, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 341 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
1M37.2Very low37.6Very low252 Ų252139.5 Ų139.5100%1.24181%0.812SS**  0110.20-77.8172.2167.900108
2R29.7Very low38Very low250 Ų250136 Ų13694%0.94380%0.797SS**  trans-112.5103.6-163.4-159178-170.5174.22.1107.4
3A40Very low38.2Very low102 Ų102134 Ų13484%0.84380%0.795SS**  trans-95.3110.9170.700000108.2A5A3-A5 PolarHBondContact O-N 3.4Å
4S39.1Very low38.4Very low109 Ų109134.3 Ų134.376%0.76279%0.791SS**  trans-57128.1179.7-75.70000112.3N6S4-N6 PolarHBondContact O-N 3.24Å
5A35.8Very low38.4Very low99 Ų99129.5 Ų129.582%0.81877%0.765SS**  trans-63.9120.1163.300000109.7A3A3-A5 PolarHBondContact O-N 3.4Å
6N42.1Very low38.4Very low123 Ų123129.2 Ų129.266%0.65877%0.768SS**  trans-111.8122.8163-92.8-12.2000109.3S4S4-N6 PolarHBondContact O-N 3.24Å
7A35.3Very low38.6Very low88 Ų88127.9 Ų127.973%0.72777%0.767SS**  trans-65.8124-170.400000113.4
8Y39.7Very low38.5Very low170 Ų170128.1 Ų128.167%0.66776%0.762SS**  trans-131.581.2145.1-67.6-77.1000107.1W203Y8-W203 HydrophobicContact CE1-CZ2 4.03Å; Y8-W203 AromaticContact CZ-CZ2 3.9Å; Y8-W203 WeakPolarHBondContact OH-CH2 3.43Å; Y8-W203 WeakPolarHBondContact OH-CZ2 3.27Å
9T36Very low38.2Very low126 Ų126132.4 Ų132.477%0.77376%0.763SS**  trans-111.5116.4159.2-74.20000105.7
10T41.3Very low37.9Very low133 Ų133132.9 Ų132.982%0.81676%0.758SS**  -174.1122.1127.525.30000107.5
11A36.9Very low37.6Very low83 Ų83133.8 Ų133.869%0.68676%0.756SS**PPolyproline II helixtrans-56.5150163.900000109.6S13A11-S13 PolarHBondContact O-N 3.3Å
12P42.7Very low37.5Very low97 Ų97126 Ų12663%0.6372%0.724SS**PPolyproline II helixtrans-69.3126173.727.9-30.1000109.8
13S41.4Very low37.6Very low110 Ų110121.4 Ų121.477%0.76972%0.718SS**PPolyproline II helixtrans-76.3127.6177.5-43.40000111.5A11A11-S13 PolarHBondContact O-N 3.3Å
14N40.3Very low37.3Very low138 Ų138122 Ų12274%0.73872%0.716SS**  trans63.5132.6161.2-71.9-10.1000121.6
15P38Very low36.9Very low62 Ų62122.5 Ų122.540%0.40372%0.72SS.*  trans-71.9160.6162.733.5-33.4000110.8S17 L77P15-S17 PolarHBondContact O-N 2.84Å; P15-S17 VanDerWaalsContact O-N 3.07Å; P15-L77 HydrophobicContact CB-CD1 3.9Å
16P38.9Very low37Very low125 Ų125123.5 Ų123.581%0.81272%0.715SS**  trans-64.5113.6-178.425.9-31.9000110.6
17S41.3Very low36.4Very low108 Ų108127 Ų12776%0.75573%0.725SS**  trans-91.9137.8174.3-67.30000111.2P15P15-S17 PolarHBondContact O-N 2.84Å; P15-S17 VanDerWaalsContact O-N 3.07Å
18I37.3Very low36.4Very low131 Ų131134.2 Ų134.267%0.67273%0.733SS**  trans-85.4115.4179.8-65.6169.2000109.1
19R32.9Very low36.1Very low209 Ų209133.4 Ų133.479%0.78974%0.741SS**  trans66.1130.4153.7-89-175.4162-175.9-1.6123.4
20H32.3Very low36Very low143 Ų143133 Ų13366%0.66274%0.743SS**  trans61.6134.2147.1-78.9-72.3000118.3
21E32.5Very low35.7Very low152 Ų152134.1 Ų134.171%0.7174%0.742SS**  cis-167.3-175.928.2-117.5-5410600106.6
22P34.6Very low35.5Very low89 Ų89138.8 Ų138.858%0.57875%0.75SS**  -106.3177.8-122.542.8-29.8000115.8
23N31.7Very low35.2Very low153 Ų153140.6 Ų140.682%0.81875%0.75SS**  trans84.991.5166.7-57.7-27.7000118.1
24S34.2Very low34.8Very low114 Ų114141.2 Ų141.280%0.79775%0.754SS**  -174.7139.6112.162.20000111.2V26S24-V26 PolarHBondContact O-N 3.17Å
25S29.7Very low34.6Very low120 Ų120143.8 Ų143.884%0.83976%0.762SS**  trans-76.698-171.550.40000112.8
26V37.1Very low34.2Very low119 Ų119148 Ų14872%0.72178%0.781SS**  trans-140.4-12.8165.3-176.90000114.2S24S24-V26 PolarHBondContact O-N 3.17Å
27F31.3Very low33.9Very low197 Ų197149.9 Ų149.986%0.86478%0.783SS**  trans-119.988.1-174.1-76.2-87.6000112.6
28R33.7Very low33.4Very low239 Ų239151.3 Ų151.390%0.90279%0.787SS**  trans-118.73176.1-140.3-173.2-161.9-172.35.2116.1
29N34.1Very low33Very low153 Ų153150.6 Ų150.682%0.81879%0.794SS**SBendtrans-131.280.3-176.3-69.7-11.1000111.3
30S33.4Very low32.9Very low119 Ų119146.3 Ų146.383%0.83280%0.796SS**SBendtrans179.9-0.9158-82.20000113.9E32S30-E32 VanDerWaalsContact C-N 3.32Å; S30-E32 PolarHBondContact O-N 3.18Å; S30-E32 VanDerWaalsContact O-N 3.16Å
31I34.8Very low33Very low155 Ų155147.4 Ų147.480%0.79581%0.807SS**THydrogen-bonded Turntrans-90.357.8-178.4-47.3176.9000110.5
32E34Very low32.9Very low182 Ų182145.4 Ų145.485%0.8581%0.81SS**THydrogen-bonded Turntrans-144.66.2171.9-74.7-165.516400114.8S30S30-E32 VanDerWaalsContact C-N 3.32Å; S30-E32 PolarHBondContact O-N 3.18Å; S30-E32 VanDerWaalsContact O-N 3.16Å
33H34.8Very low33Very low135 Ų135149.3 Ų149.363%0.62582%0.824SS**SBendtrans-135.765.6-176.6-105.959.8000112.4
34S34.5Very low33.2Very low122 Ų122148.1 Ų148.185%0.85382%0.822SS**SBendtrans-171.215.2159.7-78.90000115.1
35Q34.6Very low33.3Very low192 Ų192149.5 Ų149.590%0.89782%0.821SS**  trans-87.25.3177.1-79.6-168.1-27.100115.2
36N30.3Very low33.7Very low152 Ų152148.5 Ų148.581%0.81381%0.811SS**  trans-111.798.2173.5-74.3-18.7000108.9
37L32.1Very low33.6Very low164 Ų164149 Ų14986%0.85981%0.814SS**SBendtrans164.655.1151.1-85.8156000111.5
38T31.1Very low34Very low137 Ų137144.4 Ų144.484%0.8481%0.807SS**  trans-151.163.8158.258.20000110.6
39S29.4Very low34.3Very low117 Ų117138.4 Ų138.482%0.81880%0.801SS**  trans-150.788.3168.3-69.20000109.9
40S30.8Very low34.6Very low118 Ų118139.1 Ų139.183%0.82580%0.804SS**  trans-159.777.9158.1-76.40000108
41N34.3Very low34.9Very low167 Ų167139 Ų13989%0.89380%0.803SS**  trans-145120143.3-100.4-13.9000107.7
42S30.4Very low35.2Very low110 Ų110142.2 Ų142.277%0.76981%0.805SS**  trans-68.6122.7-17553.20000111.4
43I35.9Very low35.5Very low171 Ų171140.7 Ų140.788%0.87780%0.803SS**  trans-138126.1141.6-59.5-174.6000107.8
44V37Very low35.6Very low128 Ų128137.7 Ų137.778%0.77681%0.809SS**  trans-66.3121.1-176.9176.60000110.4
45N35.8Very low35.8Very low143 Ų143137.9 Ų137.977%0.76581%0.807SS**  19.5162.4128.9-83.10.7000120.9
46P39Very low36.2Very low99 Ų99133.7 Ų133.764%0.64380%0.799SS**  cis-149.6179.3-44.443.9-24.9000114
47V35Very low36.7Very low128 Ų128133.5 Ų133.578%0.77680%0.798SS**  trans46.8118148.7-165.40000119.5
48S39.8Very low37.1Very low102 Ų102134.4 Ų134.471%0.71380%0.798SS**  172.7134.6114.8-73.10000114.4
49S40Very low37.5Very low113 Ų113134.9 Ų134.979%0.7980%0.801SS**  trans62.7108.814657.50000121.3
50L39.8Very low38.1Very low168 Ų168132.2 Ų132.288%0.8879%0.792SS**  trans-59.3133.1149.3-72.293.2000110.7
51S40.3Very low38.8Very low116 Ų116132.7 Ų132.781%0.81179%0.792SS**  trans178.2112.7130.6-770000111.7
52R40.8Very low39.2Very low223 Ų223133.4 Ų133.484%0.84279%0.792SS**  55.1112.7128.1-132.6-173.3172158.6-1.6120.4
53D40.4Very low40.2Very low149 Ų149136.3 Ų136.380%0.79779%0.794SS**  136131124.3-79.9-37.7000114.4
54G36.8Very low41.1Very low72 Ų72131.9 Ų131.974%0.74278%0.778SS**  trans122.2104.5160.500000115.8
55P38.7Very low41.9Very low126 Ų126135.4 Ų135.482%0.81878%0.779SS**  trans-96.4135.1179.635.1-27000112
56S41.5Very low43.1Very low105 Ų105134.5 Ų134.573%0.73477%0.774SS**  trans-176125.7151.541.60000111.4
57N40.9Very low44.3Very low148 Ų148133.6 Ų133.679%0.79177%0.77SS**  trans61.7107.3147.5-692.2000118.5
58E41.9Very low45.9Very low182 Ų182132.4 Ų132.485%0.8576%0.759SS**  168.3134.890.5-107.9166.5-161.700111.6
59T38.8Very low47.7Very low147 Ų147131.2 Ų131.290%0.90275%0.745SS**  trans-61.8125.9175.639.50000112.9
60G42.6Very low49.8Very low62 Ų62131 Ų13164%0.63973%0.734SS**  trans-152.6143.8165.800000111.1M62G60-M62 PolarHBondContact O-N 3.2Å
61P45.8Very low51.8Low127 Ų127127.7 Ų127.783%0.82571%0.714SS**  trans-76.2118.4-160.79.22.3000113.1E63P61-E63 PolarHBondContact O-N 3.26Å
62M42Very low53.8Low182 Ų182126.9 Ų126.990%0.89770%0.701SS**  trans-90.859.8176.3-169.1-168.8131.600111.1G60G60-M62 PolarHBondContact O-N 3.2Å
63E52.5Low55.8Low172 Ų172123.1 Ų123.180%0.80469%0.686SS**  trans-129.81.6-176.5-74.4-168.2160.100116.3P61P61-E63 PolarHBondContact O-N 3.26Å
64S54.7Low58.2Low78 Ų78120.6 Ų120.655%0.54567%0.672SS.*SBendtrans-91-28.1-175.3-171.30000115
65Y53Low60.3Low202 Ų202121 Ų12179%0.79266%0.655SS**Hα-helixtrans-74.1-32.7-169.6-77.1-81000114.5
66D61.2Low62.4Low123 Ų123120.3 Ų120.366%0.65864%0.644SS**Hα-helixtrans-76.3-35.1-178.5-83-28.5000113.2N69 L70D66-N69 PolarHBondContact O-N 2.77Å; D66-L70 PolarHBondContact O-N 3.05Å; D66-L70 VanDerWaalsContact O-N 3.08Å
67S64.2Low64.7Low81 Ų81118.7 Ų118.757%0.56663%0.627SS**Hα-helixtrans-65.7-42.6179.5-173.70000112N69 L70 Q71S67-N69 VanDerWaalsContact C-N 3.29Å; S67-N69 PolarHBondContact O-N 3.03Å; S67-L70 PolarHBondContact O-N 3.31Å; S67-Q71 PolarHBondContact O-N 2.99Å
68L67.6Low66.9Low102 Ų102117.5 Ų117.553%0.53462%0.615SS.*Hα-helixtrans-60.7-37.3175.9-77.5160.3000112.3N72L68-N72 WeakPolarHBondContact O-CB 3.27Å; L68-N72 VanDerWaalsContact O-CG 3.3Å; L68-N72 PolarHBondContact O-N 3.32Å; L68-N72 VanDerWaalsContact O-N 3.11Å; L68-N72 PolarHBondContact O-ND2 3.19Å; L68-N72 VanDerWaalsContact O-ND2 3.17Å
69N79Confident68.9Low78 Ų78113.3 Ų113.342%0.41760%0.595SS.*Hα-helixtrans-69.7-42.2177.5-167.8-5.4000111.6D66 S67 N72 R73D66-N69 PolarHBondContact O-N 2.77Å; S67-N69 VanDerWaalsContact C-N 3.29Å; S67-N69 PolarHBondContact O-N 3.03Å; N69-N72 PolarHBondContact O-N 3.07Å; N69-R73 WeakPolarHBondContact O-CB 3.47Å; N69-R73 VanDerWaalsContact O-CG 3.26Å; N69-R73 WeakPolarHBondContact O-CG 3.45Å; N69-R73 PolarHBondContact O-N 3.06Å; N69-R73 PolarHBondContact OD1-NE 3.18Å
70L84.2Confident71.1Confident108 Ų108111.8 Ų111.857%0.56557%0.573SS**Hα-helixtrans-63-44176.3-74.7168.6000112.1D66 S67 R73 L74D66-L70 PolarHBondContact O-N 3.05Å; D66-L70 VanDerWaalsContact O-N 3.08Å; S67-L70 PolarHBondContact O-N 3.31Å; L70-R73 PolarHBondContact O-N 3.08Å; L70-L74 WeakPolarHBondContact O-CB 3.27Å; L70-L74 PolarHBondContact O-N 3.33Å
71Q80.4Confident73.4Confident98 Ų98111.5 Ų111.546%0.45856%0.561SS.*Hα-helixtrans-62.9-45177.5-172.361.428.200111.5S67 R73 L74 E75S67-Q71 PolarHBondContact O-N 2.99Å; Q71-R73 VanDerWaalsContact C-N 3.33Å; Q71-R73 PolarHBondContact O-N 3.27Å; Q71-L74 PolarHBondContact O-N 2.84Å; Q71-E75 PolarHBondContact NE2-OE1 2.65Å; Q71-E75 PolarHBondContact O-N 2.97Å
72N82Confident75.4Confident100 Ų100108.4 Ų108.454%0.53554%0.539SS..Hα-helixtrans-62-39.8175.8-76-28.3000112.2L68 N69 N76L68-N72 WeakPolarHBondContact O-CB 3.27Å; L68-N72 VanDerWaalsContact O-CG 3.3Å; L68-N72 PolarHBondContact O-N 3.32Å; L68-N72 VanDerWaalsContact O-N 3.11Å; L68-N72 PolarHBondContact O-ND2 3.19Å; L68-N72 VanDerWaalsContact O-ND2 3.17Å; N69-N72 PolarHBondContact O-N 3.07Å; N72-N76 VanDerWaalsContact O-CB 3.32Å; N72-N76 WeakPolarHBondContact O-CB 3.45Å; N72-N76 PolarHBondContact O-N 2.97Å; N72-N76 PolarHBondContact O-ND2 3.25Å
73R84.8Confident77.6Confident143 Ų143100.3 Ų100.354%0.5450%0.501SS..Hα-helixtrans-63.9-41.3174.9-76.6177172.7-143.2-5.8112.3N69 L70 Q71 N76 L77N69-R73 WeakPolarHBondContact O-CB 3.47Å; N69-R73 VanDerWaalsContact O-CG 3.26Å; N69-R73 WeakPolarHBondContact O-CG 3.45Å; N69-R73 PolarHBondContact O-N 3.06Å; N69-R73 PolarHBondContact OD1-NE 3.18Å; L70-R73 PolarHBondContact O-N 3.08Å; Q71-R73 VanDerWaalsContact C-N 3.33Å; Q71-R73 PolarHBondContact O-N 3.27Å; R73-N76 PolarHBondContact O-N 3.23Å; R73-L77 WeakPolarHBondContact O-CB 3.36Å; R73-L77 PolarHBondContact O-N 3.19Å
74L88.9Confident79.4Confident96 Ų9694 Ų9450%0.50347%0.474SS..Hα-helixtrans-65.5-45.2178.4-177.961.2000111.5L70 Q71 N76 L77 K78L70-L74 WeakPolarHBondContact O-CB 3.27Å; L70-L74 PolarHBondContact O-N 3.33Å; Q71-L74 PolarHBondContact O-N 2.84Å; L74-N76 PolarHBondContact O-N 2.98Å; L74-L77 PolarHBondContact O-N 3.29Å; L74-K78 WeakPolarHBondContact O-CB 3.26Å; L74-K78 PolarHBondContact O-N 3.48Å
75E82Confident81.1Confident82 Ų8297 Ų9738%0.38348%0.477SS..Hα-helixtrans-64.9-38.8175.9-69.2-55.2143.700111.9Q71 L77 K78 H79Q71-E75 PolarHBondContact NE2-OE1 2.65Å; Q71-E75 PolarHBondContact O-N 2.97Å; E75-L77 PolarHBondContact O-N 2.88Å; E75-K78 PolarHBondContact O-N 3.26Å; E75-K78 IonicContact OE2-NZ 2.79Å; E75-H79 WeakPolarHBondContact O-CB 3.4Å; E75-H79 PolarHBondContact O-N 3.03Å
76N81.7Confident82.9Confident111 Ų11189.4 Ų89.459%0.59445%0.448SS*.Hα-helixtrans-61.9-42.9173.2-74.6-22.6000112N72 R73 L74 H79 W80N72-N76 VanDerWaalsContact O-CB 3.32Å; N72-N76 WeakPolarHBondContact O-CB 3.45Å; N72-N76 PolarHBondContact O-N 2.97Å; N72-N76 PolarHBondContact O-ND2 3.25Å; R73-N76 PolarHBondContact O-N 3.23Å; L74-N76 PolarHBondContact O-N 2.98Å; N76-H79 PolarHBondContact O-N 3.44Å; N76-W80 VanDerWaalsContact O-CB 3.31Å; N76-W80 WeakPolarHBondContact O-CB 3.37Å; N76-W80 PolarHBondContact O-N 3.39Å
77L89.8Confident84.3Confident71 Ų7184.5 Ų84.537%0.37242%0.423SS..Hα-helixtrans-64.2-43.9176.5-178.865.6000111.3P15 R73 L74 E75 W80 S81P15-L77 HydrophobicContact CB-CD1 3.9Å; R73-L77 WeakPolarHBondContact O-CB 3.36Å; R73-L77 PolarHBondContact O-N 3.19Å; L74-L77 PolarHBondContact O-N 3.29Å; E75-L77 PolarHBondContact O-N 2.88Å; L77-W80 HydrophobicContact CD1-CE3 3.9Å; L77-W80 HydrophobicContact CD1-CZ3 4.24Å; L77-W80 PolarHBondContact O-N 3.46Å; L77-S81 WeakPolarHBondContact O-CB 3.48Å; L77-S81 PolarHBondContact O-N 3.33Å; L77-S81 PolarHBondContact O-OG 3.33Å
78K88.9Confident85.6Confident122 Ų12283.6 Ų83.653%0.5341%0.414SS..Hα-helixtrans-60.1-49175.4-178.4-177.3170.1-168.20110.7L74 E75 W80 S81 V82L74-K78 WeakPolarHBondContact O-CB 3.26Å; L74-K78 PolarHBondContact O-N 3.48Å; E75-K78 PolarHBondContact O-N 3.26Å; E75-K78 IonicContact OE2-NZ 2.79Å; K78-W80 PolarHBondContact O-N 2.96Å; K78-S81 PolarHBondContact O-N 3.44Å; K78-S81 PolarHBondContact O-OG 3.49Å; K78-V82 WeakPolarHBondContact O-CG2 3.28Å; K78-V82 PolarHBondContact O-N 3.42Å
79H83.9Confident86.8Confident94 Ų9482.6 Ų82.644%0.43541%0.406SS..Hα-helixtrans-60-44.5177.1-176.887.1000112.6E75 N76 T83 R269E75-H79 WeakPolarHBondContact O-CB 3.4Å; E75-H79 PolarHBondContact O-N 3.03Å; N76-H79 PolarHBondContact O-N 3.44Å; H79-T83 VanDerWaalsContact O-CB 3.28Å; H79-T83 WeakPolarHBondContact O-CB 3.21Å; H79-T83 PolarHBondContact O-N 2.96Å; H79-T83 PolarHBondContact O-OG1 2.9Å; H79-R269 PolarHBondContact CE1-NH2 2.93Å
80W84.9Confident87.4Confident116 Ų11679 Ų7944%0.43939%0.387SS..Hα-helixtrans-60.5-46.6175.6171.981.4000111.5N76 L77 K78 V82 T83 T84N76-W80 VanDerWaalsContact O-CB 3.31Å; N76-W80 WeakPolarHBondContact O-CB 3.37Å; N76-W80 PolarHBondContact O-N 3.39Å; L77-W80 HydrophobicContact CD1-CE3 3.9Å; L77-W80 HydrophobicContact CD1-CZ3 4.24Å; L77-W80 PolarHBondContact O-N 3.46Å; K78-W80 PolarHBondContact O-N 2.96Å; W80-V82 PolarHBondContact O-N 2.9Å; W80-T83 PolarHBondContact O-N 2.66Å; W80-T84 VanDerWaalsContact O-CB 3.23Å; W80-T84 WeakPolarHBondContact O-CB 3.35Å; W80-T84 PolarHBondContact O-N 3.36Å; W80-T84 PolarHBondContact O-OG1 2.89Å
81S91.2Very high87.6Confident56 Ų5677.6 Ų77.639%0.39238%0.378SS..Hα-helixtrans-62.4-45.7-178.870.60000112.1L77 K78 T84 F85L77-S81 WeakPolarHBondContact O-CB 3.48Å; L77-S81 PolarHBondContact O-N 3.33Å; L77-S81 PolarHBondContact O-OG 3.33Å; K78-S81 PolarHBondContact O-N 3.44Å; K78-S81 PolarHBondContact O-OG 3.49Å; S81-T84 PolarHBondContact O-N 3.41Å; S81-F85 WeakPolarHBondContact O-CB 3.38Å; S81-F85 PolarHBondContact O-N 2.99Å
82V87Confident88.1Confident61 Ų6177.2 Ų77.237%0.3738%0.378SS..Hα-helixtrans-65.3-44.6178.2172.30000111K78 W80 F85 K86K78-V82 WeakPolarHBondContact O-CG2 3.28Å; K78-V82 PolarHBondContact O-N 3.42Å; W80-V82 PolarHBondContact O-N 2.9Å; V82-F85 PolarHBondContact O-N 3.44Å; V82-K86 HydrophobicContact CG1-CD 4.06Å; V82-K86 VanDerWaalsContact O-CG 3.28Å; V82-K86 WeakPolarHBondContact O-CG 3.33Å; V82-K86 PolarHBondContact O-N 3.15Å
83T87.9Confident88.4Confident13 Ų1374.6 Ų74.68%0.0836%0.363CS..Hα-helixtrans-65.6-42.4179.6-58.10000111.2H79 W80 K86 C87 Y219 R269H79-T83 VanDerWaalsContact O-CB 3.28Å; H79-T83 WeakPolarHBondContact O-CB 3.21Å; H79-T83 PolarHBondContact O-N 2.96Å; H79-T83 PolarHBondContact O-OG1 2.9Å; W80-T83 PolarHBondContact O-N 2.66Å; T83-K86 PolarHBondContact O-N 3.2Å; T83-C87 PolarHBondContact O-N 3.28Å; T83-C87 PolarHBondContact O-SG 2.91Å; T83-Y219 WeakPolarHBondContact CG2-OH 3.29Å; T83-R269 PolarHBondContact OG1-NH2 3.32Å
84T89.4Confident88.7Confident39 Ų3969.6 Ų69.624%0.23935%0.345CS..Hα-helixtrans-61-45.8176.2-610000111.1W80 S81 K86 C87 T88W80-T84 VanDerWaalsContact O-CB 3.23Å; W80-T84 WeakPolarHBondContact O-CB 3.35Å; W80-T84 PolarHBondContact O-N 3.36Å; W80-T84 PolarHBondContact O-OG1 2.89Å; S81-T84 PolarHBondContact O-N 3.41Å; T84-K86 PolarHBondContact O-N 3.45Å; T84-C87 PolarHBondContact O-N 2.71Å; T84-T88 WeakPolarHBondContact O-CB 3.46Å; T84-T88 PolarHBondContact O-N 2.92Å; T84-T88 PolarHBondContact O-OG1 3.21Å
85F91.9Very high88.6Confident142 Ų14272.7 Ų72.762%0.62336%0.355SS*.Hα-helixtrans-58.7-47.6175.2175.9-96.6000111.8S81 V82 C87 T88 K89S81-F85 WeakPolarHBondContact O-CB 3.38Å; S81-F85 PolarHBondContact O-N 2.99Å; V82-F85 PolarHBondContact O-N 3.44Å; F85-C87 PolarHBondContact O-N 3.24Å; F85-T88 WeakPolarHBondContact O-CB 3.4Å; F85-T88 PolarHBondContact O-N 2.94Å; F85-K89 PolarHBondContact O-N 3.39Å
86K90.2Very high89Confident41 Ų4174.8 Ų74.818%0.17837%0.368CS..Hα-helixtrans-60.1-45.4178.7-73.3171.6177.3-176.30112.5V82 T83 T84 T88 K89 Q90 A218 E222V82-K86 HydrophobicContact CG1-CD 4.06Å; V82-K86 VanDerWaalsContact O-CG 3.28Å; V82-K86 WeakPolarHBondContact O-CG 3.33Å; V82-K86 PolarHBondContact O-N 3.15Å; T83-K86 PolarHBondContact O-N 3.2Å; T84-K86 PolarHBondContact O-N 3.45Å; K86-T88 VanDerWaalsContact C-N 3.31Å; K86-T88 PolarHBondContact O-N 3.43Å; K86-K89 WeakPolarHBondContact O-CB 3.22Å; K86-K89 PolarHBondContact O-N 3.08Å; K86-Q90 PolarHBondContact O-N 2.64Å; K86-A218 HydrophobicContact CB-CB 4.33Å; K86-E222 WeakPolarHBondContact CE-OE1 3.49Å; K86-E222 WeakPolarHBondContact CE-OE2 3.48Å; K86-E222 IonicContact NZ-OE1 2.63Å; K86-E222 PolarHBondContact NZ-OE1 3.03Å; K86-E222 IonicContact NZ-OE2 3.22Å; K86-E222 PolarHBondContact NZ-OE2 3.37Å
87C91Very high89.1Confident20 Ų2072.6 Ų72.614%0.13537%0.372CS..Hα-helixtrans-63.9-39176.6-63.30000111.8T83 T84 F85 Q90 M91 I214 Q215T83-C87 PolarHBondContact O-N 3.28Å; T83-C87 PolarHBondContact O-SG 2.91Å; T84-C87 PolarHBondContact O-N 2.71Å; F85-C87 PolarHBondContact O-N 3.24Å; C87-Q90 PolarHBondContact O-N 3.46Å; C87-M91 WeakPolarHBondContact O-CB 3.41Å; C87-M91 PolarHBondContact O-N 3.43Å; C87-I214 HydrophobicContact CB-CG2 3.86Å; C87-I214 WeakPolarHBondContact O-CG2 3.24Å; C87-Q215 WeakPolarHBondContact SG-CG 3.44Å
88T92.1Very high88.9Confident62 Ų6274.1 Ų74.138%0.3838%0.384SS..Hα-helixtrans-64.3-43.3176-55.20000111T84 F85 K86 M91 I92T84-T88 WeakPolarHBondContact O-CB 3.46Å; T84-T88 PolarHBondContact O-N 2.92Å; T84-T88 PolarHBondContact O-OG1 3.21Å; F85-T88 WeakPolarHBondContact O-CB 3.4Å; F85-T88 PolarHBondContact O-N 2.94Å; K86-T88 VanDerWaalsContact C-N 3.31Å; K86-T88 PolarHBondContact O-N 3.43Å; T88-M91 PolarHBondContact O-N 3.3Å; T88-I92 HydrophobicContact CG2-CD1 4.13Å; T88-I92 WeakPolarHBondContact O-CG1 3.45Å; T88-I92 PolarHBondContact O-N 2.93Å
89K91.9Very high88.5Confident81 Ų8169.2 Ų69.235%0.35237%0.366SS..Hα-helixtrans-58.3-50.4173.9-173.7-176.8-175.1-99.40111F85 K86 M91 I92 E93F85-K89 PolarHBondContact O-N 3.39Å; K86-K89 WeakPolarHBondContact O-CB 3.22Å; K86-K89 PolarHBondContact O-N 3.08Å; K89-M91 VanDerWaalsContact C-N 3.34Å; K89-M91 PolarHBondContact O-N 2.95Å; K89-I92 PolarHBondContact O-N 2.99Å; K89-I92 VanDerWaalsContact O-N 3.14Å; K89-E93 WeakPolarHBondContact CE-OE1 3.44Å; K89-E93 HydrophobicContact CG-CG 4.39Å; K89-E93 IonicContact NZ-OE1 2.67Å; K89-E93 PolarHBondContact NZ-OE1 2.98Å; K89-E93 IonicContact NZ-OE2 3.94Å; K89-E93 WeakPolarHBondContact O-CG 3.46Å; K89-E93 PolarHBondContact O-N 3.23Å
90Q91.4Very high88.4Confident3 Ų367.5 Ų67.51%0.01437%0.365CS..Hα-helixtrans-55-48.6176.9179.161.927.800111.4K86 C87 I92 E93 E94 S100 I214 D217 A218 N221K86-Q90 PolarHBondContact O-N 2.64Å; C87-Q90 PolarHBondContact O-N 3.46Å; Q90-I92 VanDerWaalsContact C-N 3.3Å; Q90-I92 PolarHBondContact O-N 3.44Å; Q90-E93 PolarHBondContact O-N 2.83Å; Q90-E94 HydrophobicContact CG-CG 4.48Å; Q90-E94 PolarHBondContact NE2-OE1 3.05Å; Q90-E94 VanDerWaalsContact O-CG 3.25Å; Q90-E94 WeakPolarHBondContact O-CG 3.35Å; Q90-E94 PolarHBondContact O-N 3.21Å; Q90-S100 PolarHBondContact NE2-O 3.24Å; Q90-I214 HydrophobicContact CB-CG2 4.23Å; Q90-I214 HydrophobicContact CG-CG2 4.14Å; Q90-D217 HydrophobicContact CG-CB 4.03Å; Q90-A218 HydrophobicContact CB-CB 4.07Å; Q90-A218 HydrophobicContact CG-CB 4.44Å; Q90-N221 PolarHBondContact OE1-ND2 3.1Å
91M89.4Confident88.5Confident78 Ų7865.5 Ų65.538%0.38437%0.365SS..Hα-helixtrans-60.4-37.7178.9-176.9179.562.700112.9C87 T88 K89 K95C87-M91 WeakPolarHBondContact O-CB 3.41Å; C87-M91 PolarHBondContact O-N 3.43Å; T88-M91 PolarHBondContact O-N 3.3Å; K89-M91 VanDerWaalsContact C-N 3.34Å; K89-M91 PolarHBondContact O-N 2.95Å; M91-K95 WeakPolarHBondContact O-CG 3.39Å; M91-K95 PolarHBondContact O-N 3.34Å
92I89.8Confident88.3Confident90 Ų9064 Ų6446%0.46235%0.354SS..Hα-helixtrans-69.4-46.4176.6-67.2167000110.3T88 K89 Q90 E94 K95 L96T88-I92 HydrophobicContact CG2-CD1 4.13Å; T88-I92 WeakPolarHBondContact O-CG1 3.45Å; T88-I92 PolarHBondContact O-N 2.93Å; K89-I92 PolarHBondContact O-N 2.99Å; K89-I92 VanDerWaalsContact O-N 3.14Å; Q90-I92 VanDerWaalsContact C-N 3.3Å; Q90-I92 PolarHBondContact O-N 3.44Å; I92-E94 VanDerWaalsContact C-N 3.3Å; I92-E94 PolarHBondContact O-N 2.72Å; I92-K95 WeakPolarHBondContact O-CB 3.5Å; I92-K95 PolarHBondContact O-N 3.31Å; I92-K95 VanDerWaalsContact O-N 3.14Å; I92-L96 HydrophobicContact CG2-CD1 3.96Å; I92-L96 HydrophobicContact CG2-CG 4.49Å; I92-L96 WeakPolarHBondContact O-CG 3.38Å; I92-L96 PolarHBondContact O-N 2.98Å
93E89.5Confident88.3Confident45 Ų4565 Ų6521%0.2136%0.363CS..Hα-helixtrans-63.5-35.1179.9-69175.516200112.3K89 Q90 L96 G97 T98 A99K89-E93 WeakPolarHBondContact CE-OE1 3.44Å; K89-E93 HydrophobicContact CG-CG 4.39Å; K89-E93 IonicContact NZ-OE1 2.67Å; K89-E93 PolarHBondContact NZ-OE1 2.98Å; K89-E93 IonicContact NZ-OE2 3.94Å; K89-E93 WeakPolarHBondContact O-CG 3.46Å; K89-E93 PolarHBondContact O-N 3.23Å; Q90-E93 PolarHBondContact O-N 2.83Å; E93-L96 PolarHBondContact O-N 3.25Å; E93-G97 PolarHBondContact O-N 3.33Å; E93-G97 VanDerWaalsContact O-N 3.07Å; E93-T98 PolarHBondContact O-N 3.23Å; E93-T98 PolarHBondContact O-OG1 3.19Å; E93-A99 HydrophobicContact CB-CB 3.55Å; E93-A99 PolarHBondContact O-N 3.38Å
94E90.2Very high88.4Confident38 Ų3865.8 Ų65.818%0.17837%0.367CS..Hα-helixtrans-64.3-42.1172.7-70.8-179.6-176.600112.2Q90 I92 L96 G97 A99 V101 R213Q90-E94 HydrophobicContact CG-CG 4.48Å; Q90-E94 PolarHBondContact NE2-OE1 3.05Å; Q90-E94 VanDerWaalsContact O-CG 3.25Å; Q90-E94 WeakPolarHBondContact O-CG 3.35Å; Q90-E94 PolarHBondContact O-N 3.21Å; I92-E94 VanDerWaalsContact C-N 3.3Å; I92-E94 PolarHBondContact O-N 2.72Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 PolarHBondContact O-N 2.92Å; E94-G97 PolarHBondContact O-N 3.14Å; E94-G97 VanDerWaalsContact O-N 3.08Å; E94-A99 HydrophobicContact CG-CB 4.19Å; E94-V101 HydrophobicContact CB-CG2 4.24Å; E94-V101 HydrophobicContact CG-CG2 3.66Å; E94-R213 IonicContact OE1-CZ 2.63Å; E94-R213 IonicContact OE1-NH1 3.09Å; E94-R213 PolarHBondContact OE1-NH1 3.32Å; E94-R213 IonicContact OE1-NH2 3.47Å; E94-R213 PolarHBondContact OE1-NH2 3.43Å; E94-R213 IonicContact OE2-CZ 2.86Å; E94-R213 IonicContact OE2-NH1 2.8Å; E94-R213 PolarHBondContact OE2-NH1 3.08Å; E94-R213 IonicContact OE2-NH2 3.13Å; E94-R213 PolarHBondContact OE2-NH2 2.96Å
95K86.7Confident88.5Confident161 Ų16169.6 Ų69.670%0.738%0.382SS*.Hα-helixtrans-65.5-30.4176.2-74.3-177.1179-171.20112.7M91 I92 G97M91-K95 WeakPolarHBondContact O-CG 3.39Å; M91-K95 PolarHBondContact O-N 3.34Å; I92-K95 WeakPolarHBondContact O-CB 3.5Å; I92-K95 PolarHBondContact O-N 3.31Å; I92-K95 VanDerWaalsContact O-N 3.14Å; K95-G97 VanDerWaalsContact C-N 3.3Å
96L89.3Confident88.5Confident126 Ų12669.2 Ų69.266%0.6638%0.382SS*.THydrogen-bonded Turntrans-82.4-7.9175-65173.1000112.8I92 E93 E94 T98I92-L96 HydrophobicContact CG2-CD1 3.96Å; I92-L96 HydrophobicContact CG2-CG 4.49Å; I92-L96 WeakPolarHBondContact O-CG 3.38Å; I92-L96 PolarHBondContact O-N 2.98Å; E93-L96 PolarHBondContact O-N 3.25Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 PolarHBondContact O-N 2.92Å; L96-T98 VanDerWaalsContact C-N 3.26Å; L96-T98 HydrophobicContact CB-CG2 4.15Å; L96-T98 PolarHBondContact O-N 2.88Å
97G84.9Confident88.7Confident66 Ų6667.3 Ų67.368%0.6837%0.374SS*.THydrogen-bonded Turntrans73.214.3-176.900000114.2E93 E94 K95E93-G97 PolarHBondContact O-N 3.33Å; E93-G97 VanDerWaalsContact O-N 3.07Å; E94-G97 PolarHBondContact O-N 3.14Å; E94-G97 VanDerWaalsContact O-N 3.08Å; K95-G97 VanDerWaalsContact C-N 3.3Å
98T84.5Confident88.9Confident102 Ų10268.9 Ų68.963%0.62638%0.379SS*.  trans-95.7-11.1-175.659.50000113.5E93 L96E93-T98 PolarHBondContact O-N 3.23Å; E93-T98 PolarHBondContact O-OG1 3.19Å; L96-T98 VanDerWaalsContact C-N 3.26Å; L96-T98 HydrophobicContact CB-CG2 4.15Å; L96-T98 PolarHBondContact O-N 2.88Å
99A80.6Confident89Confident19 Ų1969.8 Ų69.816%0.15738%0.382CS..SBendtrans-109.2148.7178.400000113E93 E94E93-A99 HydrophobicContact CB-CB 3.55Å; E93-A99 PolarHBondContact O-N 3.38Å; E94-A99 HydrophobicContact CG-CB 4.19Å
100S82.9Confident89.3Confident59 Ų5968.6 Ų68.641%0.41338%0.375SS..  trans-70.9134.2168.665.20000110.7Q90 R220 N221Q90-S100 PolarHBondContact NE2-O 3.24Å; S100-R220 PolarHBondContact O-NH2 3.4Å; S100-R220 PolarHBondContact OG-NH2 3.39Å; S100-N221 PolarHBondContact OG-OD1 2.78Å
101V87.5Confident89.5Confident73 Ų7368.4 Ų68.444%0.44237%0.374SS..  trans-111.8130.3-177.8174.80000109E94 C103E94-V101 HydrophobicContact CB-CG2 4.24Å; E94-V101 HydrophobicContact CG-CG2 3.66Å; V101-C103 PolarHBondContact O-N 3.01Å
102T86.5Confident89.9Confident26 Ų2668.1 Ų68.116%0.1638%0.38CS..  trans-72.1112.8165.4-65.50000109.3R213 Y216 D217 R220 Y277T102-R213 VanDerWaalsContact O-CD 3.24Å; T102-R213 WeakPolarHBondContact O-CD 3.17Å; T102-Y216 HydrophobicContact CG2-CD1 4.47Å; T102-Y216 HydrophobicContact CG2-CE1 4.34Å; T102-Y216 WeakPolarHBondContact OG1-CD1 3.37Å; T102-Y216 VanDerWaalsContact OG1-CE1 3.29Å; T102-Y216 WeakPolarHBondContact OG1-CE1 3.42Å; T102-D217 WeakPolarHBondContact CB-OD1 3.4Å; T102-D217 PolarHBondContact N-OD1 2.85Å; T102-D217 PolarHBondContact N-OD2 3.32Å; T102-D217 PolarHBondContact OG1-OD1 3.06Å; T102-R220 PolarHBondContact OG1-NH1 2.97Å; T102-Y277 HydrophobicContact CG2-CE1 3.75Å
103C86.3Confident90.1Very high82 Ų8270 Ų7055%0.55439%0.388SS*.  trans-122.7127.6-175.7-171.10000111.3V101V101-C103 PolarHBondContact O-N 3.01Å
104D89.6Confident90.5Very high28 Ų2868.1 Ų68.115%0.1538%0.379CS..  trans-111.999165.7177.6-11.7000107.8E106 L107 E108 R281D104-E106 VanDerWaalsContact C-N 3.29Å; D104-E106 PolarHBondContact O-N 3.42Å; D104-E106 PolarHBondContact OD1-N 3.1Å; D104-L107 HydrophobicContact CB-CB 4.03Å; D104-L107 PolarHBondContact O-N 3.13Å; D104-L107 PolarHBondContact OD1-N 3.3Å; D104-E108 WeakPolarHBondContact O-CG 3.31Å; D104-E108 PolarHBondContact O-N 3.26Å; D104-R281 IonicContact OD2-CZ 3.09Å; D104-R281 IonicContact OD2-NE 3.5Å; D104-R281 PolarHBondContact OD2-NE 3.41Å; D104-R281 IonicContact OD2-NH2 2.68Å; D104-R281 PolarHBondContact OD2-NH2 3.35Å
105Q91.4Very high90.8Very high119 Ų11969.4 Ų69.456%0.55638%0.383SS*.Hα-helixtrans-62.1-36.2-171.6-170.961.157.300112.7N109Q105-N109 PolarHBondContact NE2-OD1 3.47Å; Q105-N109 WeakPolarHBondContact O-CB 3.39Å; Q105-N109 PolarHBondContact O-N 2.99Å; Q105-N109 PolarHBondContact O-ND2 3.43Å; Q105-N109 PolarHBondContact O-OD1 2.84Å
106E93.2Very high91.3Very high134 Ų13465.7 Ų65.763%0.62637%0.37SS*.Hα-helixtrans-67.1-46.3179.7-172.9-173.4159.900110.6D104 N109 R110D104-E106 VanDerWaalsContact C-N 3.29Å; D104-E106 PolarHBondContact O-N 3.42Å; D104-E106 PolarHBondContact OD1-N 3.1Å; E106-N109 WeakPolarHBondContact O-CB 3.21Å; E106-N109 PolarHBondContact O-N 3.34Å; E106-R110 WeakPolarHBondContact O-CG 3.42Å; E106-R110 PolarHBondContact O-N 3.15Å
107L94.5Very high91.6Very high2 Ų261.5 Ų61.51%0.0135%0.348CS..Hα-helixtrans-65.7-41.8177.9178.957.2000112.2D104 N109 R110 I111 M209 R281 V284 L285 L288D104-L107 HydrophobicContact CB-CB 4.03Å; D104-L107 PolarHBondContact O-N 3.13Å; D104-L107 PolarHBondContact OD1-N 3.3Å; L107-N109 VanDerWaalsContact C-N 3.29Å; L107-N109 PolarHBondContact O-N 3.17Å; L107-R110 WeakPolarHBondContact O-CB 3.48Å; L107-R110 PolarHBondContact O-N 3.46Å; L107-R110 VanDerWaalsContact O-N 3.15Å; L107-I111 HydrophobicContact CD1-CD1 4.04Å; L107-I111 HydrophobicContact CD1-CG1 4.14Å; L107-I111 HydrophobicContact CG-CD1 3.87Å; L107-I111 HydrophobicContact CG-CG1 4.41Å; L107-I111 WeakPolarHBondContact O-CG1 3.5Å; L107-I111 PolarHBondContact O-N 3.4Å; L107-M209 HydrophobicContact CD2-CE 4.28Å; L107-M209 HydrophobicContact CD2-SD 3.61Å; L107-R281 HydrophobicContact CD2-CG 3.66Å; L107-V284 HydrophobicContact CD1-CG1 3.89Å; L107-L285 HydrophobicContact CD1-CD2 3.75Å; L107-L285 HydrophobicContact CD1-CG 4.18Å; L107-L288 HydrophobicContact CD1-CD1 4.28Å
108E94.2Very high92.2Very high52 Ų5260.1 Ų60.124%0.24332%0.323CS..Hα-helixtrans-62.4-38176.3-73.2-58.9147.500111.7D104 I111 S112D104-E108 WeakPolarHBondContact O-CG 3.31Å; D104-E108 PolarHBondContact O-N 3.26Å; E108-I111 PolarHBondContact O-N 3.09Å; E108-S112 WeakPolarHBondContact O-CB 3.25Å; E108-S112 PolarHBondContact O-N 2.74Å
109N95.5Very high92.8Very high82 Ų8260.1 Ų60.144%0.43932%0.316SS..Hα-helixtrans-62.3-45.2172.3-68.5-15.5000111.4Q105 E106 L107 I111 S112 M113Q105-N109 PolarHBondContact NE2-OD1 3.47Å; Q105-N109 WeakPolarHBondContact O-CB 3.39Å; Q105-N109 PolarHBondContact O-N 2.99Å; Q105-N109 PolarHBondContact O-ND2 3.43Å; Q105-N109 PolarHBondContact O-OD1 2.84Å; E106-N109 WeakPolarHBondContact O-CB 3.21Å; E106-N109 PolarHBondContact O-N 3.34Å; L107-N109 VanDerWaalsContact C-N 3.29Å; L107-N109 PolarHBondContact O-N 3.17Å; N109-I111 PolarHBondContact O-N 3.22Å; N109-S112 WeakPolarHBondContact O-CB 3.45Å; N109-S112 PolarHBondContact O-N 3.31Å; N109-M113 WeakPolarHBondContact O-CG 3.46Å; N109-M113 PolarHBondContact O-N 3.24Å
110R96.4Very high93.6Very high55 Ų5564 Ų6421%0.20833%0.331CS..Hα-helixtrans-60.8-43.4175.6-71.3178.467164.7-2112E106 L107 M113 F114 L285 L288 E289E106-R110 WeakPolarHBondContact O-CG 3.42Å; E106-R110 PolarHBondContact O-N 3.15Å; L107-R110 WeakPolarHBondContact O-CB 3.48Å; L107-R110 PolarHBondContact O-N 3.46Å; L107-R110 VanDerWaalsContact O-N 3.15Å; R110-M113 HydrophobicContact CG-CE 4.29Å; R110-M113 PolarHBondContact O-N 3.34Å; R110-F114 WeakPolarHBondContact O-CB 3.39Å; R110-F114 PolarHBondContact O-N 3.42Å; R110-L285 PolarHBondContact NH2-O 3.02Å; R110-L288 HydrophobicContact CB-CD1 4.11Å; R110-E289 IonicContact CZ-OE1 3.72Å; R110-E289 IonicContact NH1-OE1 3.51Å; R110-E289 PolarHBondContact NH1-OE1 3.01Å; R110-E289 VanDerWaalsContact NH1-OE1 3.09Å; R110-E289 IonicContact NH2-OE1 4Å; R110-E289 PolarHBondContact NH2-OE1 2.86Å
111I96.9Very high94.3Very high0 Ų062.7 Ų62.70%032%0.317CS..Hα-helixtrans-65.1-39176.8-68.6168000111.1L107 E108 N109 F114 R115 V206 M209 V284 L288L107-I111 HydrophobicContact CD1-CD1 4.04Å; L107-I111 HydrophobicContact CD1-CG1 4.14Å; L107-I111 HydrophobicContact CG-CD1 3.87Å; L107-I111 HydrophobicContact CG-CG1 4.41Å; L107-I111 WeakPolarHBondContact O-CG1 3.5Å; L107-I111 PolarHBondContact O-N 3.4Å; E108-I111 PolarHBondContact O-N 3.09Å; N109-I111 PolarHBondContact O-N 3.22Å; I111-F114 PolarHBondContact O-N 2.92Å; I111-R115 VanDerWaalsContact CG2-CZ 3.44Å; I111-R115 WeakPolarHBondContact O-CG 3.43Å; I111-R115 PolarHBondContact O-N 2.91Å; I111-V206 HydrophobicContact CD1-CG1 4.13Å; I111-V206 HydrophobicContact CG1-CG1 4.38Å; I111-V206 HydrophobicContact CG1-CG2 4.45Å; I111-V206 HydrophobicContact CG2-CG1 4.01Å; I111-M209 HydrophobicContact CD1-CE 3.74Å; I111-V284 HydrophobicContact CD1-CG1 4.48Å; I111-V284 HydrophobicContact CG1-CG1 4.49Å; I111-L288 HydrophobicContact CG1-CD1 4.45Å
112S96.3Very high94.8Very high72 Ų7265 Ų6550%0.50332%0.322SS..Hα-helixtrans-62.4-46.9175.9-174.30000112E108 N109 F114 R115 N116E108-S112 WeakPolarHBondContact O-CB 3.25Å; E108-S112 PolarHBondContact O-N 2.74Å; N109-S112 WeakPolarHBondContact O-CB 3.45Å; N109-S112 PolarHBondContact O-N 3.31Å; S112-F114 VanDerWaalsContact C-N 3.34Å; S112-F114 PolarHBondContact O-N 2.87Å; S112-R115 WeakPolarHBondContact O-CB 3.44Å; S112-R115 PolarHBondContact O-N 3.38Å; S112-N116 PolarHBondContact O-N 3.4Å
113M96Very high95.3Very high128 Ų12868.3 Ų68.363%0.63134%0.338SS*.Hα-helixtrans-60.6-43.4174.3-70.2-172.2-68.300111.9N109 R110 R115 N116 M117N109-M113 WeakPolarHBondContact O-CG 3.46Å; N109-M113 PolarHBondContact O-N 3.24Å; R110-M113 HydrophobicContact CG-CE 4.29Å; R110-M113 PolarHBondContact O-N 3.34Å; M113-R115 PolarHBondContact O-N 3.43Å; M113-N116 PolarHBondContact O-N 2.9Å; M113-M117 WeakPolarHBondContact O-CB 3.3Å; M113-M117 PolarHBondContact O-N 3.48Å
114F97Very high95.9Very high7 Ų767.6 Ų67.63%0.03133%0.328CS..Hα-helixtrans-60.5-42.4175.3164.8-115000112.6R110 I111 S112 M117 H118 F199 T202 W203 V206 L288 L291R110-F114 WeakPolarHBondContact O-CB 3.39Å; R110-F114 PolarHBondContact O-N 3.42Å; I111-F114 PolarHBondContact O-N 2.92Å; S112-F114 VanDerWaalsContact C-N 3.34Å; S112-F114 PolarHBondContact O-N 2.87Å; F114-M117 HydrophobicContact CD2-CE 3.91Å; F114-M117 WeakPolarHBondContact O-CB 3.32Å; F114-M117 PolarHBondContact O-N 3.43Å; F114-H118 PolarHBondContact O-N 3.24Å; F114-F199 HydrophobicContact CD2-CD1 4.18Å; F114-F199 HydrophobicContact CD2-CE1 4.17Å; F114-F199 AromaticContact CE2-CD1 3.41Å; F114-F199 HydrophobicContact CE2-CD1 3.41Å; F114-F199 VanDerWaalsContact CE2-CD1 3.41Å; F114-F199 AromaticContact CE2-CE1 3.84Å; F114-F199 HydrophobicContact CE2-CE1 3.84Å; F114-F199 HydrophobicContact CE2-CG 4.38Å; F114-F199 HydrophobicContact CZ-CD1 4.13Å; F114-T202 HydrophobicContact CE1-CG2 4.11Å; F114-T202 HydrophobicContact CE2-CG2 4.03Å; F114-T202 HydrophobicContact CZ-CG2 3.73Å; F114-W203 HydrophobicContact CD1-CE3 4.46Å; F114-W203 AromaticContact CE1-CE3 3.72Å; F114-W203 HydrophobicContact CE1-CE3 3.72Å; F114-W203 HydrophobicContact CE1-CZ3 4.37Å; F114-W203 HydrophobicContact CZ-CB 4.48Å; F114-W203 HydrophobicContact CZ-CE3 4.46Å; F114-V206 HydrophobicContact CE1-CG2 4.35Å; F114-L288 HydrophobicContact CB-CD2 3.78Å; F114-L288 HydrophobicContact CD1-CD2 3.96Å; F114-L288 HydrophobicContact CD2-CD2 3.97Å; F114-L288 HydrophobicContact CG-CD2 3.63Å; F114-L291 HydrophobicContact CD2-CD2 3.78Å; F114-L291 HydrophobicContact CE2-CD2 3.28Å; F114-L291 HydrophobicContact CZ-CD2 4.26Å
115R96.5Very high96.3Very high65 Ų6567.8 Ų67.825%0.24533%0.328CS..Hα-helixtrans-60-48.7175.3-80.1171.7178.5144.85.1112.2I111 S112 M113 M117 H118 Q119 W203I111-R115 VanDerWaalsContact CG2-CZ 3.44Å; I111-R115 WeakPolarHBondContact O-CG 3.43Å; I111-R115 PolarHBondContact O-N 2.91Å; S112-R115 WeakPolarHBondContact O-CB 3.44Å; S112-R115 PolarHBondContact O-N 3.38Å; M113-R115 PolarHBondContact O-N 3.43Å; R115-M117 VanDerWaalsContact C-N 3.34Å; R115-H118 PolarHBondContact O-N 2.94Å; R115-Q119 WeakPolarHBondContact O-CG 3.47Å; R115-Q119 PolarHBondContact O-N 3.33Å; R115-Q119 VanDerWaalsContact O-N 3.11Å; R115-W203 HydrophobicContact CG-CH2 4.08Å; R115-W203 HydrophobicContact CG-CZ3 3.54Å; R115-W203 VanDerWaalsContact NE-CH2 3.32Å
116N96.8Very high96.6Very high82 Ų8265.2 Ų65.244%0.43932%0.318SS..Hα-helixtrans-59.9-48.2176.3-176.8-1.6000110.1S112 M113 H118 Q119 Q120S112-N116 PolarHBondContact O-N 3.4Å; M113-N116 PolarHBondContact O-N 2.9Å; N116-H118 VanDerWaalsContact C-N 3.33Å; N116-H118 PolarHBondContact O-N 3Å; N116-Q119 WeakPolarHBondContact O-CA 3.31Å; N116-Q119 WeakPolarHBondContact O-CB 3.48Å; N116-Q119 PolarHBondContact O-N 2.99Å; N116-Q120 WeakPolarHBondContact O-CG 3.1Å; N116-Q120 PolarHBondContact O-N 3.3Å; N116-Q120 WeakPolarHBondContact OD1-CG 3.43Å; N116-Q120 PolarHBondContact OD1-NE2 3.1Å
117M96.3Very high96.9Very high39 Ų3963.4 Ų63.419%0.19231%0.312CS..Hα-helixtrans-55.9-45.3177.4-175.7177.374.600112.5M113 F114 R115 Q119 Q120 Y121 F199 L291 R295M113-M117 WeakPolarHBondContact O-CB 3.3Å; M113-M117 PolarHBondContact O-N 3.48Å; F114-M117 HydrophobicContact CD2-CE 3.91Å; F114-M117 WeakPolarHBondContact O-CB 3.32Å; F114-M117 PolarHBondContact O-N 3.43Å; R115-M117 VanDerWaalsContact C-N 3.34Å; M117-Q119 VanDerWaalsContact C-N 3.31Å; M117-Q119 PolarHBondContact O-N 2.96Å; M117-Q120 PolarHBondContact O-N 2.93Å; M117-Y121 HydrophobicContact CG-CD2 4.02Å; M117-Y121 HydrophobicContact CG-CE2 3.89Å; M117-Y121 WeakPolarHBondContact O-CD2 3.34Å; M117-Y121 PolarHBondContact O-N 3.27Å; M117-F199 HydrophobicContact CE-CE1 3.57Å; M117-F199 HydrophobicContact CE-CZ 3.74Å; M117-F199 HydrophobicContact CG-CE1 4.21Å; M117-F199 HydrophobicContact CG-CZ 4.09Å; M117-F199 HydrophobicContact SD-CZ 4.49Å; M117-L291 HydrophobicContact CE-CD2 4.36Å; M117-R295 WeakPolarHBondContact SD-CD 3.33Å; M117-R295 PolarHBondContact SD-NE 3.5Å; M117-R295 PolarHBondContact SD-NH1 2.8Å
118H96.8Very high97Very high36 Ų3663.8 Ų63.817%0.16732%0.316CS..Hα-helixtrans-58.2-43.5175.3-175.2-166.8000111.7F114 R115 N116 Y121 K122 F199F114-H118 PolarHBondContact O-N 3.24Å; R115-H118 PolarHBondContact O-N 2.94Å; N116-H118 VanDerWaalsContact C-N 3.33Å; N116-H118 PolarHBondContact O-N 3Å; H118-Y121 PolarHBondContact O-N 3.36Å; H118-K122 WeakPolarHBondContact O-CG 3.45Å; H118-K122 PolarHBondContact O-N 3.08Å; H118-F199 HydrophobicContact CB-CD1 3.57Å; H118-F199 HydrophobicContact CB-CE1 3.75Å; H118-F199 AromaticContact CD2-CD1 3.85Å; H118-F199 AromaticContact CG-CD1 3.71Å
119Q97.2Very high97.2Very high102 Ų10265.3 Ų65.348%0.47732%0.323SS..Hα-helixtrans-63-43.3176.6-69.4174.1-23.900112.5R115 N116 M117 Y121 K122 L123R115-Q119 WeakPolarHBondContact O-CG 3.47Å; R115-Q119 PolarHBondContact O-N 3.33Å; R115-Q119 VanDerWaalsContact O-N 3.11Å; N116-Q119 WeakPolarHBondContact O-CA 3.31Å; N116-Q119 WeakPolarHBondContact O-CB 3.48Å; N116-Q119 PolarHBondContact O-N 2.99Å; M117-Q119 VanDerWaalsContact C-N 3.31Å; M117-Q119 PolarHBondContact O-N 2.96Å; Q119-Y121 VanDerWaalsContact C-N 3.32Å; Q119-Y121 PolarHBondContact O-N 3.45Å; Q119-K122 PolarHBondContact O-N 3.29Å; Q119-L123 PolarHBondContact O-N 3.25Å
120Q97.5Very high97.4Very high102 Ų10267.4 Ų67.448%0.47733%0.328SS..Hα-helixtrans-61.6-41177.5-62-53.2-34.100111.8N116 M117 L123 L124N116-Q120 WeakPolarHBondContact O-CG 3.1Å; N116-Q120 PolarHBondContact O-N 3.3Å; N116-Q120 WeakPolarHBondContact OD1-CG 3.43Å; N116-Q120 PolarHBondContact OD1-NE2 3.1Å; M117-Q120 PolarHBondContact O-N 2.93Å; Q120-L123 PolarHBondContact O-N 3.11Å; Q120-L124 WeakPolarHBondContact O-CB 3.41Å; Q120-L124 PolarHBondContact O-N 3.12Å
121Y97.8Very high97.5Very high30 Ų3069.5 Ų69.512%0.11834%0.343CS..Hα-helixtrans-68.3-38.2178.2-84.6-114.8000111.9M117 H118 Q119 L123 L124 H125 L191 L194 I195 F199 R295 M299M117-Y121 HydrophobicContact CG-CD2 4.02Å; M117-Y121 HydrophobicContact CG-CE2 3.89Å; M117-Y121 WeakPolarHBondContact O-CD2 3.34Å; M117-Y121 PolarHBondContact O-N 3.27Å; H118-Y121 PolarHBondContact O-N 3.36Å; Q119-Y121 VanDerWaalsContact C-N 3.32Å; Q119-Y121 PolarHBondContact O-N 3.45Å; Y121-L123 VanDerWaalsContact C-N 3.34Å; Y121-L123 PolarHBondContact O-N 3.26Å; Y121-L124 PolarHBondContact O-N 3.49Å; Y121-H125 WeakPolarHBondContact O-CB 3.45Å; Y121-H125 PolarHBondContact O-N 3.04Å; Y121-L191 HydrophobicContact CD1-CD2 4.24Å; Y121-L194 HydrophobicContact CD1-CD2 3.84Å; Y121-L194 HydrophobicContact CE1-CD2 3.65Å; Y121-I195 WeakPolarHBondContact O-CD1 3.4Å; Y121-F199 HydrophobicContact CD1-CE2 4.07Å; Y121-F199 HydrophobicContact CD1-CZ 4.33Å; Y121-F199 HydrophobicContact CD2-CZ 4.27Å; Y121-F199 HydrophobicContact CG-CE2 4.18Å; Y121-F199 HydrophobicContact CG-CZ 4.08Å; Y121-R295 HydrophobicContact CE1-CG 3.95Å; Y121-R295 WeakPolarHBondContact OH-CD 3.49Å; Y121-R295 WeakPolarHBondContact OH-CG 3.32Å; Y121-R295 PolarHBondContact OH-NH1 2.53Å; Y121-R295 VanDerWaalsContact OH-NH1 3.13Å; Y121-M299 HydrophobicContact CD1-SD 4.45Å; Y121-M299 HydrophobicContact CE1-CE 4.11Å; Y121-M299 HydrophobicContact CE1-CG 3.58Å; Y121-M299 HydrophobicContact CE1-SD 3.68Å; Y121-M299 WeakPolarHBondContact OH-CG 3.4Å
122K97.7Very high97.5Very high122 Ų12269.6 Ų69.653%0.5334%0.343SS..Hα-helixtrans-61.8-41.5172.5-73.6-17768.6170.40112.4H118 Q119 N126 I195H118-K122 WeakPolarHBondContact O-CG 3.45Å; H118-K122 PolarHBondContact O-N 3.08Å; Q119-K122 PolarHBondContact O-N 3.29Å; K122-N126 PolarHBondContact O-N 3.35Å; K122-I195 HydrophobicContact CG-CD1 4.46Å; K122-I195 HydrophobicContact CG-CG2 3.92Å
123L98.2Very high97.6Very high96 Ų9669.5 Ų69.550%0.50334%0.337SS..Hα-helixtrans-63.1-47.1175178.761.5000110.9Q119 Q120 Y121 H125 N126 L127Q119-L123 PolarHBondContact O-N 3.25Å; Q120-L123 PolarHBondContact O-N 3.11Å; Y121-L123 VanDerWaalsContact C-N 3.34Å; Y121-L123 PolarHBondContact O-N 3.26Å; L123-H125 PolarHBondContact O-N 3.34Å; L123-N126 PolarHBondContact O-N 2.89Å; L123-L127 HydrophobicContact CD1-CD1 4.34Å; L123-L127 HydrophobicContact CD1-CG 4.42Å; L123-L127 HydrophobicContact CG-CD1 4.19Å; L123-L127 WeakPolarHBondContact O-CG 3.21Å; L123-L127 PolarHBondContact O-N 3.32Å
124L98Very high97.7Very high66 Ų6667 Ų6735%0.34633%0.332SS..Hα-helixtrans-58.5-45.8177.2179.962000111.9Q120 Y121 N126 L127 A128 L191 M299Q120-L124 WeakPolarHBondContact O-CB 3.41Å; Q120-L124 PolarHBondContact O-N 3.12Å; Y121-L124 PolarHBondContact O-N 3.49Å; L124-N126 PolarHBondContact O-N 3.44Å; L124-L127 PolarHBondContact O-N 2.88Å; L124-A128 WeakPolarHBondContact O-CB 3.37Å; L124-A128 PolarHBondContact O-N 3.06Å; L124-L191 HydrophobicContact CD2-CD1 4.24Å; L124-L191 HydrophobicContact CD2-CD2 4.29Å; L124-L191 HydrophobicContact CG-CD1 4Å; L124-M299 HydrophobicContact CD2-CE 4.16Å
125H98.2Very high97.7Very high33 Ų3368 Ų6815%0.15334%0.337CS..Hα-helixtrans-57.4-48.8175.4172.9-83.7000111.7Y121 L123 L127 A128 E129 L191 I195Y121-H125 WeakPolarHBondContact O-CB 3.45Å; Y121-H125 PolarHBondContact O-N 3.04Å; L123-H125 PolarHBondContact O-N 3.34Å; H125-L127 VanDerWaalsContact C-N 3.31Å; H125-L127 PolarHBondContact O-N 3.37Å; H125-A128 PolarHBondContact O-N 3.41Å; H125-E129 IonicContact CE1-OE2 3.39Å; H125-E129 WeakPolarHBondContact O-CB 3.48Å; H125-E129 PolarHBondContact O-N 3.49Å; H125-L191 HydrophobicContact CB-CB 4.33Å; H125-L191 HydrophobicContact CB-CD1 4.41Å; H125-I195 HydrophobicContact CB-CD1 3.65Å
126N98.1Very high97.8Very high64 Ų6469 Ų6934%0.34234%0.341SS..Hα-helixtrans-59.7-41179-171.9-76.6000112.3K122 L123 L124 K130K122-N126 PolarHBondContact O-N 3.35Å; L123-N126 PolarHBondContact O-N 2.89Å; L124-N126 PolarHBondContact O-N 3.44Å; N126-K130 WeakPolarHBondContact O-CB 3.5Å; N126-K130 WeakPolarHBondContact O-CG 3.14Å; N126-K130 PolarHBondContact O-N 3.05Å; N126-K130 WeakPolarHBondContact OD1-CD 3.47Å; N126-K130 WeakPolarHBondContact OD1-CE 3.43Å; N126-K130 PolarHBondContact OD1-NZ 3.26Å
127L98.5Very high97.9Very high96 Ų9669.9 Ų69.950%0.50334%0.342SS..Hα-helixtrans-67.6-42.7176.7-70171.8000111.9L123 L124 H125 K130 L131L123-L127 HydrophobicContact CD1-CD1 4.34Å; L123-L127 HydrophobicContact CD1-CG 4.42Å; L123-L127 HydrophobicContact CG-CD1 4.19Å; L123-L127 WeakPolarHBondContact O-CG 3.21Å; L123-L127 PolarHBondContact O-N 3.32Å; L124-L127 PolarHBondContact O-N 2.88Å; H125-L127 VanDerWaalsContact C-N 3.31Å; H125-L127 PolarHBondContact O-N 3.37Å; L127-K130 PolarHBondContact O-N 3.15Å; L127-L131 WeakPolarHBondContact O-CB 3.46Å; L127-L131 PolarHBondContact O-N 3.22Å
128A98.2Very high97.9Very high10 Ų1071.1 Ų71.18%0.08335%0.352CS..Hα-helixtrans-63.7-41177.600000112L124 H125 L131 A132 F187 V188 L191L124-A128 WeakPolarHBondContact O-CB 3.37Å; L124-A128 PolarHBondContact O-N 3.06Å; H125-A128 PolarHBondContact O-N 3.41Å; A128-L131 PolarHBondContact O-N 3.35Å; A128-A132 WeakPolarHBondContact O-CB 3.37Å; A128-A132 PolarHBondContact O-N 3.45Å; A128-F187 HydrophobicContact CB-CD1 4.05Å; A128-F187 HydrophobicContact CB-CE1 3.97Å; A128-V188 HydrophobicContact CB-CG2 3.75Å; A128-L191 HydrophobicContact CB-CD1 4.34Å
129E98.4Very high97.9Very high85 Ų8569.5 Ų69.540%0.39734%0.344SS..Hα-helixtrans-62.6-46.4174.8-177.3-179.9-161.500111.4H125 L131 A132 N133 V188H125-E129 IonicContact CE1-OE2 3.39Å; H125-E129 WeakPolarHBondContact O-CB 3.48Å; H125-E129 PolarHBondContact O-N 3.49Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 3.07Å; E129-A132 PolarHBondContact O-N 3.34Å; E129-N133 WeakPolarHBondContact O-CB 3.24Å; E129-N133 PolarHBondContact O-N 3.4Å; E129-N133 PolarHBondContact O-ND2 3.42Å; E129-V188 HydrophobicContact CB-CG1 4.27Å
130K98.5Very high98Very high125 Ų12569.7 Ų69.754%0.54335%0.345SS..Hα-helixtrans-60.5-41.7174.2-77172.3174.9163.20112.3N126 L127 N133 S134N126-K130 WeakPolarHBondContact O-CB 3.5Å; N126-K130 WeakPolarHBondContact O-CG 3.14Å; N126-K130 PolarHBondContact O-N 3.05Å; N126-K130 WeakPolarHBondContact OD1-CD 3.47Å; N126-K130 WeakPolarHBondContact OD1-CE 3.43Å; N126-K130 PolarHBondContact OD1-NZ 3.26Å; L127-K130 PolarHBondContact O-N 3.15Å; K130-N133 PolarHBondContact O-N 3.03Å; K130-S134 WeakPolarHBondContact O-CB 3.42Å; K130-S134 PolarHBondContact O-N 3.23Å
131L97.8Very high98Very high100 Ų10070.4 Ų70.452%0.52435%0.348SS..Hα-helixtrans-62.3-48.7176.8177.762.2000111L127 A128 E129 N133 S134 F135 L184L127-L131 WeakPolarHBondContact O-CB 3.46Å; L127-L131 PolarHBondContact O-N 3.22Å; A128-L131 PolarHBondContact O-N 3.35Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 3.07Å; L131-N133 VanDerWaalsContact C-N 3.32Å; L131-N133 PolarHBondContact O-N 3.14Å; L131-S134 PolarHBondContact O-N 2.87Å; L131-F135 VanDerWaalsContact O-CB 3.3Å; L131-F135 WeakPolarHBondContact O-CB 3.43Å; L131-F135 PolarHBondContact O-N 3.04Å; L131-L184 HydrophobicContact CD2-CD2 4.08Å
132A98.2Very high97.9Very high1 Ų170.6 Ų70.61%0.00835%0.35CS..Hα-helixtrans-60.8-41.7177.600000111.8A128 E129 F135 R136 L181 L184 V188A128-A132 WeakPolarHBondContact O-CB 3.37Å; A128-A132 PolarHBondContact O-N 3.45Å; E129-A132 PolarHBondContact O-N 3.34Å; A132-F135 PolarHBondContact O-N 2.86Å; A132-R136 WeakPolarHBondContact O-CB 3.28Å; A132-R136 PolarHBondContact O-N 3.47Å; A132-L181 HydrophobicContact CB-CD1 4.46Å; A132-L181 VanDerWaalsContact O-CD1 3.32Å; A132-L181 WeakPolarHBondContact O-CD1 3.4Å; A132-L184 HydrophobicContact CB-CB 4.23Å; A132-V188 HydrophobicContact CB-CG2 4.45Å
133N98.2Very high97.9Very high71 Ų7170.1 Ų70.138%0.3835%0.345SS..Hα-helixtrans-64.6-49176.5-70-20.1000112.1E129 K130 L131 F135 R136 E137E129-N133 WeakPolarHBondContact O-CB 3.24Å; E129-N133 PolarHBondContact O-N 3.4Å; E129-N133 PolarHBondContact O-ND2 3.42Å; K130-N133 PolarHBondContact O-N 3.03Å; L131-N133 VanDerWaalsContact C-N 3.32Å; L131-N133 PolarHBondContact O-N 3.14Å; N133-F135 VanDerWaalsContact C-N 3.26Å; N133-F135 PolarHBondContact O-N 3.34Å; N133-R136 WeakPolarHBondContact O-CB 3.47Å; N133-R136 PolarHBondContact O-N 2.89Å; N133-R136 PolarHBondContact OD1-NH1 2.99Å; N133-E137 PolarHBondContact O-N 3.44Å
134S98Very high97.9Very high74 Ų7468.4 Ų68.452%0.51735%0.345SS..Hα-helixtrans-58.8-40.4175.8-174.80000111.8K130 L131 E137 T138K130-S134 WeakPolarHBondContact O-CB 3.42Å; K130-S134 PolarHBondContact O-N 3.23Å; L131-S134 PolarHBondContact O-N 2.87Å; S134-E137 PolarHBondContact O-N 3.16Å; S134-T138 PolarHBondContact O-N 3.3Å; S134-T138 PolarHBondContact O-OG1 3.36Å; S134-T138 VanDerWaalsContact O-OG1 3.09Å
135F97.4Very high97.9Very high29 Ų2969.9 Ų69.913%0.12735%0.348CS..Hα-helixtrans-70-36-179.4-166.7-118.3000112.3L131 A132 N133 E137 T138 I139 G177 L180 L181 L184 F313L131-F135 VanDerWaalsContact O-CB 3.3Å; L131-F135 WeakPolarHBondContact O-CB 3.43Å; L131-F135 PolarHBondContact O-N 3.04Å; A132-F135 PolarHBondContact O-N 2.86Å; N133-F135 VanDerWaalsContact C-N 3.26Å; N133-F135 PolarHBondContact O-N 3.34Å; F135-E137 VanDerWaalsContact C-N 3.34Å; F135-T138 WeakPolarHBondContact O-CB 3.45Å; F135-T138 PolarHBondContact O-N 2.84Å; F135-I139 HydrophobicContact CD1-CD1 3.98Å; F135-I139 HydrophobicContact CE1-CD1 3.79Å; F135-I139 HydrophobicContact CZ-CD1 4.34Å; F135-I139 WeakPolarHBondContact O-CG1 3.28Å; F135-I139 PolarHBondContact O-N 3.01Å; F135-G177 VanDerWaalsContact CE1-O 3.31Å; F135-G177 WeakPolarHBondContact CE1-O 3.25Å; F135-L180 HydrophobicContact CE1-CB 3.99Å; F135-L180 HydrophobicContact CE1-CD2 3.91Å; F135-L180 HydrophobicContact CE1-CG 3.97Å; F135-L180 HydrophobicContact CE2-CD2 4.49Å; F135-L180 HydrophobicContact CZ-CB 4.4Å; F135-L180 HydrophobicContact CZ-CD2 3.76Å; F135-L180 HydrophobicContact CZ-CG 4.32Å; F135-L181 HydrophobicContact CD1-CB 3.93Å; F135-L181 HydrophobicContact CD1-CD1 4.17Å; F135-L181 HydrophobicContact CE1-CB 4.17Å; F135-L184 HydrophobicContact CB-CD1 4.47Å; F135-L184 HydrophobicContact CD1-CD1 4.01Å; F135-L184 HydrophobicContact CG-CD1 4.4Å; F135-F313 HydrophobicContact CE2-CE1 4.38Å; F135-F313 HydrophobicContact CE2-CZ 4.3Å; F135-F313 HydrophobicContact CZ-CE1 4.18Å; F135-F313 HydrophobicContact CZ-CE2 4.28Å; F135-F313 AromaticContact CZ-CZ 3.88Å; F135-F313 HydrophobicContact CZ-CZ 3.88Å
136R98.3Very high97.8Very high87 Ų8768.8 Ų68.833%0.32834%0.344SS..Hα-helixtrans-59.6-45.2170.5-174.9-178.4-60.397.21.6111.5A132 N133 I139 H140 L181 N185A132-R136 WeakPolarHBondContact O-CB 3.28Å; A132-R136 PolarHBondContact O-N 3.47Å; N133-R136 WeakPolarHBondContact O-CB 3.47Å; N133-R136 PolarHBondContact O-N 2.89Å; N133-R136 PolarHBondContact OD1-NH1 2.99Å; R136-I139 PolarHBondContact O-N 3.3Å; R136-H140 PolarHBondContact O-N 2.89Å; R136-L181 HydrophobicContact CB-CD1 4.14Å; R136-L181 HydrophobicContact CB-CD2 3.89Å; R136-L181 HydrophobicContact CG-CD2 4.02Å; R136-N185 PolarHBondContact NH2-ND2 3.18Å; R136-N185 PolarHBondContact NH2-OD1 3.43Å
137E98.2Very high97.7Very high99 Ų9969.3 Ų69.346%0.46335%0.353SS..Hα-helixtrans-62-44174.5-66-50.3126.500111N133 S134 F135 I139 H140 H141N133-E137 PolarHBondContact O-N 3.44Å; S134-E137 PolarHBondContact O-N 3.16Å; F135-E137 VanDerWaalsContact C-N 3.34Å; E137-I139 VanDerWaalsContact C-N 3.32Å; E137-I139 PolarHBondContact O-N 3.24Å; E137-H140 WeakPolarHBondContact O-CB 3.38Å; E137-H140 PolarHBondContact O-N 3.22Å; E137-H140 VanDerWaalsContact O-N 3.08Å; E137-H141 PolarHBondContact O-N 3.47Å; E137-H141 PolarHBondContact O-ND1 3.43Å
138T97.2Very high97.7Very high65 Ų6570.1 Ų70.140%0.39935%0.354SS..Hα-helixtrans-54.7-47.2174.7-59.60000111.8S134 F135 H140 H141 Q142S134-T138 PolarHBondContact O-N 3.3Å; S134-T138 PolarHBondContact O-OG1 3.36Å; S134-T138 VanDerWaalsContact O-OG1 3.09Å; F135-T138 WeakPolarHBondContact O-CB 3.45Å; F135-T138 PolarHBondContact O-N 2.84Å; T138-H140 VanDerWaalsContact C-N 3.32Å; T138-H140 PolarHBondContact O-N 2.89Å; T138-H141 PolarHBondContact O-N 3.48Å; T138-Q142 WeakPolarHBondContact O-CG 3.38Å; T138-Q142 PolarHBondContact O-N 2.87Å
139I97.2Very high97.6Very high2 Ų270.7 Ų70.71%0.0136%0.355CS..Hα-helixtrans-62.8-39.7177.4-68.8167000111.2F135 R136 E137 Q142 R143 I174 G177 E178 L181F135-I139 HydrophobicContact CD1-CD1 3.98Å; F135-I139 HydrophobicContact CE1-CD1 3.79Å; F135-I139 HydrophobicContact CZ-CD1 4.34Å; F135-I139 WeakPolarHBondContact O-CG1 3.28Å; F135-I139 PolarHBondContact O-N 3.01Å; R136-I139 PolarHBondContact O-N 3.3Å; E137-I139 VanDerWaalsContact C-N 3.32Å; E137-I139 PolarHBondContact O-N 3.24Å; I139-Q142 PolarHBondContact O-N 3.06Å; I139-R143 WeakPolarHBondContact O-CG 3.4Å; I139-R143 PolarHBondContact O-N 3.49Å; I139-I174 HydrophobicContact CG2-CG2 4.18Å; I139-G177 WeakPolarHBondContact CD1-O 3.49Å; I139-E178 HydrophobicContact CG2-CG 4.43Å; I139-L181 HydrophobicContact CD1-CB 4Å; I139-L181 HydrophobicContact CD1-CD2 4.04Å
140H97.7Very high97.5Very high106 Ų10669.2 Ų69.249%0.49135%0.352SS..Hα-helixtrans-58.8-47.8175-178.887.6000111.5R136 E137 T138 Q142 R143 A144R136-H140 PolarHBondContact O-N 2.89Å; E137-H140 WeakPolarHBondContact O-CB 3.38Å; E137-H140 PolarHBondContact O-N 3.22Å; E137-H140 VanDerWaalsContact O-N 3.08Å; T138-H140 VanDerWaalsContact C-N 3.32Å; T138-H140 PolarHBondContact O-N 2.89Å; H140-Q142 VanDerWaalsContact C-N 3.34Å; H140-Q142 PolarHBondContact O-N 2.71Å; H140-R143 PolarHBondContact O-N 2.92Å; H140-A144 PolarHBondContact O-N 3.43Å; H140-A144 VanDerWaalsContact O-N 3.15Å
141H97.7Very high97.4Very high118 Ų11866.3 Ų66.355%0.54634%0.344SS..Hα-helixtrans-63.6-37.6176.6-66.991.3000112.2E137 T138 R143 A144 F145E137-H141 PolarHBondContact O-N 3.47Å; E137-H141 PolarHBondContact O-ND1 3.43Å; T138-H141 PolarHBondContact O-N 3.48Å; H141-R143 VanDerWaalsContact C-N 3.33Å; H141-R143 PolarHBondContact O-N 2.73Å; H141-A144 PolarHBondContact O-N 2.83Å; H141-F145 VanDerWaalsContact O-CB 3.29Å; H141-F145 WeakPolarHBondContact O-CB 3.46Å; H141-F145 PolarHBondContact O-N 3.4Å
142Q96.4Very high97.4Very high34 Ų3463.4 Ų63.416%0.15933%0.329CS..Hα-helixtrans-61.7-39.3174.2-72.4-179.1-64.900112.3T138 I139 H140 F145 T146 I174T138-Q142 WeakPolarHBondContact O-CG 3.38Å; T138-Q142 PolarHBondContact O-N 2.87Å; I139-Q142 PolarHBondContact O-N 3.06Å; H140-Q142 VanDerWaalsContact C-N 3.34Å; H140-Q142 PolarHBondContact O-N 2.71Å; Q142-F145 PolarHBondContact O-N 2.87Å; Q142-T146 WeakPolarHBondContact O-CB 3.24Å; Q142-T146 PolarHBondContact O-N 3.22Å; Q142-T146 PolarHBondContact O-OG1 3.19Å; Q142-I174 HydrophobicContact CB-CD1 3.9Å; Q142-I174 HydrophobicContact CB-CG1 3.58Å
143R97.7Very high97.3Very high112 Ų11265.1 Ų65.142%0.42334%0.338SS..Hα-helixtrans-63.9-44.9175.4-68.6-171.4-165.2113.3-6.3111.8I139 H140 H141 T146 S147 I174 E178I139-R143 WeakPolarHBondContact O-CG 3.4Å; I139-R143 PolarHBondContact O-N 3.49Å; H140-R143 PolarHBondContact O-N 2.92Å; H141-R143 VanDerWaalsContact C-N 3.33Å; H141-R143 PolarHBondContact O-N 2.73Å; R143-T146 PolarHBondContact O-N 2.98Å; R143-S147 WeakPolarHBondContact O-CB 3.39Å; R143-S147 PolarHBondContact O-N 3.36Å; R143-I174 HydrophobicContact CG-CD1 4.02Å; R143-I174 HydrophobicContact CG-CG1 4.48Å; R143-I174 HydrophobicContact CG-CG2 4.03Å; R143-E178 IonicContact CZ-OE1 3.52Å; R143-E178 IonicContact NE-OE1 3.59Å; R143-E178 IonicContact NH2-OE1 2.64Å; R143-E178 PolarHBondContact NH2-OE1 2.9Å
144A97.9Very high97.1Very high60 Ų6067.4 Ų67.450%0.49635%0.354SS..Hα-helixtrans-62.2-45.1176.400000111.7H140 H141 T146 S147 H148H140-A144 PolarHBondContact O-N 3.43Å; H140-A144 VanDerWaalsContact O-N 3.15Å; H141-A144 PolarHBondContact O-N 2.83Å; A144-T146 PolarHBondContact O-N 3.46Å; A144-S147 PolarHBondContact O-N 3.35Å; A144-H148 PolarHBondContact O-N 2.87Å
145F97.1Very high97Very high97 Ų9769.3 Ų69.343%0.42536%0.355SS..Hα-helixtrans-57.7-47.4175.1178.1-109000112.3H141 Q142 H148 M149 Q170H141-F145 VanDerWaalsContact O-CB 3.29Å; H141-F145 WeakPolarHBondContact O-CB 3.46Å; H141-F145 PolarHBondContact O-N 3.4Å; Q142-F145 PolarHBondContact O-N 2.87Å; F145-H148 PolarHBondContact O-N 2.85Å; F145-M149 HydrophobicContact CD1-CE 4.43Å; F145-M149 HydrophobicContact CD1-SD 4.12Å; F145-M149 HydrophobicContact CE1-CE 3.45Å; F145-M149 VanDerWaalsContact CE1-CE 3.45Å; F145-M149 HydrophobicContact CE1-SD 3.58Å; F145-M149 VanDerWaalsContact CE1-SD 3.58Å; F145-M149 HydrophobicContact CE2-CE 3.75Å; F145-M149 HydrophobicContact CE2-SD 4.47Å; F145-M149 HydrophobicContact CZ-CE 3.06Å; F145-M149 HydrophobicContact CZ-SD 3.82Å; F145-M149 PolarHBondContact O-N 2.92Å; F145-Q170 HydrophobicContact CD1-CG 4.05Å; F145-Q170 HydrophobicContact CE1-CG 3.94Å
146T96.8Very high96.9Very high9 Ų972.4 Ų72.46%0.05537%0.37CS..Hα-helixtrans-65.1-40.3178.6-55.80000112.1Q142 R143 A144 H148 M149 T150 T167 Q170 R171 I174Q142-T146 WeakPolarHBondContact O-CB 3.24Å; Q142-T146 PolarHBondContact O-N 3.22Å; Q142-T146 PolarHBondContact O-OG1 3.19Å; R143-T146 PolarHBondContact O-N 2.98Å; A144-T146 PolarHBondContact O-N 3.46Å; T146-H148 VanDerWaalsContact C-N 3.34Å; T146-M149 PolarHBondContact O-N 3.49Å; T146-T150 PolarHBondContact O-N 3.41Å; T146-T150 PolarHBondContact O-OG1 3.34Å; T146-T167 HydrophobicContact CG2-CG2 3.59Å; T146-Q170 HydrophobicContact CG2-CB 4.38Å; T146-Q170 VanDerWaalsContact OG1-CB 3.24Å; T146-Q170 WeakPolarHBondContact OG1-CB 3.19Å; T146-R171 HydrophobicContact CG2-CG 3.86Å; T146-I174 WeakPolarHBondContact OG1-CD1 3.42Å
147S97.2Very high96.7Very high76 Ų7672.5 Ų72.553%0.53138%0.382SS..Hα-helixtrans-63.6-40.8175.8177.50000111.6R143 A144 T150 T151R143-S147 WeakPolarHBondContact O-CB 3.39Å; R143-S147 PolarHBondContact O-N 3.36Å; A144-S147 PolarHBondContact O-N 3.35Å; S147-T150 WeakPolarHBondContact O-CB 3.41Å; S147-T150 PolarHBondContact O-N 3.35Å; S147-T151 PolarHBondContact O-N 3.01Å; S147-T151 PolarHBondContact O-OG1 3.45Å
148H97.3Very high96.6Very high112 Ų11275.1 Ų75.152%0.51940%0.399SS..Hα-helixtrans-67.4-43.8176.4-168.360.3000112.1A144 F145 T146 T150 T151 L152A144-H148 PolarHBondContact O-N 2.87Å; F145-H148 PolarHBondContact O-N 2.85Å; T146-H148 VanDerWaalsContact C-N 3.34Å; H148-T150 VanDerWaalsContact C-N 3.26Å; H148-T150 PolarHBondContact O-N 2.9Å; H148-T151 WeakPolarHBondContact O-CA 3.09Å; H148-T151 VanDerWaalsContact O-CB 3.27Å; H148-T151 WeakPolarHBondContact O-CB 3.35Å; H148-T151 PolarHBondContact O-N 3.3Å; H148-L152 PolarHBondContact O-N 3.33Å
149M95.9Very high96.5Very high23 Ų2375.6 Ų75.611%0.11340%0.398CS..Hα-helixtrans-57.5-39.6172.8-74.7-176.3155.300112.3F145 T146 T151 L152 I153 F163 N166 T167F145-M149 HydrophobicContact CD1-CE 4.43Å; F145-M149 HydrophobicContact CD1-SD 4.12Å; F145-M149 HydrophobicContact CE1-CE 3.45Å; F145-M149 VanDerWaalsContact CE1-CE 3.45Å; F145-M149 HydrophobicContact CE1-SD 3.58Å; F145-M149 VanDerWaalsContact CE1-SD 3.58Å; F145-M149 HydrophobicContact CE2-CE 3.75Å; F145-M149 HydrophobicContact CE2-SD 4.47Å; F145-M149 HydrophobicContact CZ-CE 3.06Å; F145-M149 HydrophobicContact CZ-SD 3.82Å; F145-M149 PolarHBondContact O-N 2.92Å; T146-M149 PolarHBondContact O-N 3.49Å; M149-T151 PolarHBondContact O-N 3.5Å; M149-L152 PolarHBondContact O-N 2.98Å; M149-I153 WeakPolarHBondContact O-CG1 3.38Å; M149-I153 PolarHBondContact O-N 2.92Å; M149-I153 VanDerWaalsContact O-N 3.08Å; M149-F163 HydrophobicContact CB-CD1 4.37Å; M149-F163 HydrophobicContact CG-CD1 4.28Å; M149-N166 HydrophobicContact CE-CB 4.41Å; M149-N166 VanDerWaalsContact CE-OD1 3.28Å; M149-N166 WeakPolarHBondContact CE-OD1 3.46Å; M149-N166 HydrophobicContact SD-CB 4.21Å; M149-N166 PolarHBondContact SD-OD1 2.88Å; M149-T167 WeakPolarHBondContact CB-OG1 3.15Å
150T96.2Very high96.5Very high53 Ų5377.6 Ų77.633%0.32541%0.413SS..Hα-helixtrans-60.8-34.9175.5-55.40000111.8T146 S147 H148 T167T146-T150 PolarHBondContact O-N 3.41Å; T146-T150 PolarHBondContact O-OG1 3.34Å; S147-T150 WeakPolarHBondContact O-CB 3.41Å; S147-T150 PolarHBondContact O-N 3.35Å; H148-T150 VanDerWaalsContact C-N 3.26Å; H148-T150 PolarHBondContact O-N 2.9Å; T150-T167 WeakPolarHBondContact OG1-CG2 3.41Å
151T97.1Very high96.3Very high64 Ų6476.3 Ų76.339%0.39342%0.416SS..Hα-helixtrans-68.2-40.6174.2-54.10000111.3S147 H148 M149 I153 V154 Q155S147-T151 PolarHBondContact O-N 3.01Å; S147-T151 PolarHBondContact O-OG1 3.45Å; H148-T151 WeakPolarHBondContact O-CA 3.09Å; H148-T151 VanDerWaalsContact O-CB 3.27Å; H148-T151 WeakPolarHBondContact O-CB 3.35Å; H148-T151 PolarHBondContact O-N 3.3Å; M149-T151 PolarHBondContact O-N 3.5Å; T151-I153 VanDerWaalsContact C-N 3.31Å; T151-I153 PolarHBondContact O-N 2.92Å; T151-V154 PolarHBondContact O-N 2.91Å; T151-Q155 PolarHBondContact O-N 3.32Å
152L96.8Very high96.1Very high39 Ų3975.6 Ų75.620%0.20441%0.413CS..Hα-helixtrans-66.3-28.6179.2-66.8176.4000113.3H148 M149 V154 Q155 Q156 F163H148-L152 PolarHBondContact O-N 3.33Å; M149-L152 PolarHBondContact O-N 2.98Å; L152-V154 PolarHBondContact O-N 3.5Å; L152-Q155 PolarHBondContact O-N 3.31Å; L152-Q155 VanDerWaalsContact O-N 3.17Å; L152-Q156 WeakPolarHBondContact O-CB 3.47Å; L152-Q156 PolarHBondContact O-N 2.87Å; L152-F163 HydrophobicContact CB-CD1 4.18Å; L152-F163 HydrophobicContact CB-CD2 4.13Å; L152-F163 HydrophobicContact CB-CE1 3.95Å; L152-F163 HydrophobicContact CB-CE2 3.9Å; L152-F163 HydrophobicContact CB-CG 4.28Å; L152-F163 HydrophobicContact CB-CZ 3.81Å; L152-F163 HydrophobicContact CD1-CD1 4.45Å; L152-F163 HydrophobicContact CD1-CE1 3.61Å; L152-F163 HydrophobicContact CD1-CZ 3.69Å; L152-F163 HydrophobicContact CG-CE1 4.44Å; L152-F163 HydrophobicContact CG-CZ 4.35Å
153I96.4Very high96.1Very high38 Ų3875.9 Ų75.920%0.19541%0.414CS..Hα-helixtrans-53.5-41.4173.3-65.8169.6000111.1M149 T151 F163M149-I153 WeakPolarHBondContact O-CG1 3.38Å; M149-I153 PolarHBondContact O-N 2.92Å; M149-I153 VanDerWaalsContact O-N 3.08Å; T151-I153 VanDerWaalsContact C-N 3.31Å; T151-I153 PolarHBondContact O-N 2.92Å; I153-F163 HydrophobicContact CD1-CB 4.37Å; I153-F163 HydrophobicContact CG1-CB 3.44Å; I153-F163 VanDerWaalsContact CG1-CB 3.44Å; I153-F163 HydrophobicContact CG1-CG 4.49Å
154V95.2Very high96Very high119 Ų11974 Ų7472%0.72141%0.414SS*.Hα-helixtrans-79.7-35.5-179.1-177.40000111.4T151 L152T151-V154 PolarHBondContact O-N 2.91Å; L152-V154 PolarHBondContact O-N 3.5Å
155Q95.9Very high95.7Very high114 Ų11479.3 Ų79.353%0.53342%0.423SS..Hα-helixtrans-80.1-21.2-176.8-66.7179.5-17.600113.7T151 L152T151-Q155 PolarHBondContact O-N 3.32Å; L152-Q155 PolarHBondContact O-N 3.31Å; L152-Q155 VanDerWaalsContact O-N 3.17Å
156Q95.2Very high95.5Very high94 Ų9477.6 Ų77.644%0.43942%0.418SS..  trans-129.475.1-177-60.6-66-6700110.2L152 D158 L159 S160 F163L152-Q156 WeakPolarHBondContact O-CB 3.47Å; L152-Q156 PolarHBondContact O-N 2.87Å; Q156-D158 PolarHBondContact O-N 3.46Å; Q156-L159 HydrophobicContact CB-CB 4.36Å; Q156-L159 CarbonylContact O-C 3.59Å; Q156-L159 PolarHBondContact O-N 3.03Å; Q156-S160 PolarHBondContact O-N 3.07Å; Q156-F163 HydrophobicContact CB-CE2 4.07Å; Q156-F163 HydrophobicContact CG-CE2 4.37Å
157P93.9Very high95.3Very high89 Ų8977.2 Ų77.258%0.57842%0.416SS*.G310 helixtrans-55.8-35.9-176.6-25.735.2000113.6L159 S160P157-L159 PolarHBondContact O-N 2.74Å; P157-S160 VanDerWaalsContact O-CB 3.27Å; P157-S160 WeakPolarHBondContact O-CB 3.23Å; P157-S160 PolarHBondContact O-N 3.2Å; P157-S160 PolarHBondContact O-OG 2.75Å
158D96.5Very high95.1Very high153 Ų15377.8 Ų77.882%0.81841%0.41SS*.G310 helixtrans-64.9-22.6-180-60.2-27.7000113.6Q156Q156-D158 PolarHBondContact O-N 3.46Å
159L95.5Very high94.8Very high75 Ų7575.1 Ų75.139%0.39340%0.402SS..G310 helixtrans-11411179.5-63.5174.1000112.3Q156 P157 S161 E162 F163Q156-L159 HydrophobicContact CB-CB 4.36Å; Q156-L159 CarbonylContact O-C 3.59Å; Q156-L159 PolarHBondContact O-N 3.03Å; P157-L159 PolarHBondContact O-N 2.74Å; L159-S161 PolarHBondContact O-N 3.4Å; L159-E162 VanDerWaalsContact C-OE2 3.27Å; L159-E162 WeakPolarHBondContact CA-OE2 3.34Å; L159-E162 PolarHBondContact O-N 3.32Å; L159-F163 HydrophobicContact CB-CD2 3.82Å; L159-F163 HydrophobicContact CB-CE2 3.75Å; L159-F163 HydrophobicContact CD1-CE2 4.16Å; L159-F163 VanDerWaalsContact O-CD2 3.27Å; L159-F163 WeakPolarHBondContact O-CD2 3.29Å; L159-F163 PolarHBondContact O-N 3.47Å
160S95.1Very high94.8Very high45 Ų4576 Ų7632%0.31541%0.406SS..Hα-helixtrans-59.9-34.3-171.657.80000112.5Q156 P157 T164Q156-S160 PolarHBondContact O-N 3.07Å; P157-S160 VanDerWaalsContact O-CB 3.27Å; P157-S160 WeakPolarHBondContact O-CB 3.23Å; P157-S160 PolarHBondContact O-N 3.2Å; P157-S160 PolarHBondContact O-OG 2.75Å; S160-T164 VanDerWaalsContact O-CB 3.26Å; S160-T164 WeakPolarHBondContact O-CB 3.4Å; S160-T164 PolarHBondContact O-N 2.95Å; S160-T164 PolarHBondContact O-OG1 3.36Å
161S94.3Very high94.6Very high79 Ų7979 Ų7955%0.55241%0.411SS*.Hα-helixtrans-69.6-41.6-178.878.80000112.4L159 T164 Y165L159-S161 PolarHBondContact O-N 3.4Å; S161-T164 PolarHBondContact O-N 3Å; S161-Y165 PolarHBondContact O-N 3.36Å
162E94.2Very high94.3Very high103 Ų10380.2 Ų80.248%0.48141%0.414SS..Hα-helixtrans-69.6-46.7-179.5-65.785.7160.100110.4L159 T164 Y165 N166L159-E162 VanDerWaalsContact C-OE2 3.27Å; L159-E162 WeakPolarHBondContact CA-OE2 3.34Å; L159-E162 PolarHBondContact O-N 3.32Å; E162-T164 VanDerWaalsContact C-N 3.29Å; E162-T164 PolarHBondContact O-N 3Å; E162-Y165 PolarHBondContact O-N 3.09Å; E162-N166 WeakPolarHBondContact O-CB 3.36Å; E162-N166 PolarHBondContact O-N 3.46Å
163F96.9Very high94.1Very high40 Ų4080.3 Ų80.318%0.17542%0.416CS..Hα-helixtrans-61.6-38.7173.2-78.5-60.9000111.6M149 L152 I153 Q156 L159 N166 T167M149-F163 HydrophobicContact CB-CD1 4.37Å; M149-F163 HydrophobicContact CG-CD1 4.28Å; L152-F163 HydrophobicContact CB-CD1 4.18Å; L152-F163 HydrophobicContact CB-CD2 4.13Å; L152-F163 HydrophobicContact CB-CE1 3.95Å; L152-F163 HydrophobicContact CB-CE2 3.9Å; L152-F163 HydrophobicContact CB-CG 4.28Å; L152-F163 HydrophobicContact CB-CZ 3.81Å; L152-F163 HydrophobicContact CD1-CD1 4.45Å; L152-F163 HydrophobicContact CD1-CE1 3.61Å; L152-F163 HydrophobicContact CD1-CZ 3.69Å; L152-F163 HydrophobicContact CG-CE1 4.44Å; L152-F163 HydrophobicContact CG-CZ 4.35Å; I153-F163 HydrophobicContact CD1-CB 4.37Å; I153-F163 HydrophobicContact CG1-CB 3.44Å; I153-F163 VanDerWaalsContact CG1-CB 3.44Å; I153-F163 HydrophobicContact CG1-CG 4.49Å; Q156-F163 HydrophobicContact CB-CE2 4.07Å; Q156-F163 HydrophobicContact CG-CE2 4.37Å; L159-F163 HydrophobicContact CB-CD2 3.82Å; L159-F163 HydrophobicContact CB-CE2 3.75Å; L159-F163 HydrophobicContact CD1-CE2 4.16Å; L159-F163 VanDerWaalsContact O-CD2 3.27Å; L159-F163 WeakPolarHBondContact O-CD2 3.29Å; L159-F163 PolarHBondContact O-N 3.47Å; F163-N166 PolarHBondContact O-N 3.31Å; F163-T167 WeakPolarHBondContact O-CB 3.45Å; F163-T167 PolarHBondContact O-N 3.32Å; F163-T167 PolarHBondContact O-OG1 3.16Å
164T94.4Very high94Very high71 Ų7179.1 Ų79.144%0.43641%0.41SS..Hα-helixtrans-63.3-49.6177.5-62.10000111.3S160 S161 E162 N166 T167 E168S160-T164 VanDerWaalsContact O-CB 3.26Å; S160-T164 WeakPolarHBondContact O-CB 3.4Å; S160-T164 PolarHBondContact O-N 2.95Å; S160-T164 PolarHBondContact O-OG1 3.36Å; S161-T164 PolarHBondContact O-N 3Å; E162-T164 VanDerWaalsContact C-N 3.29Å; E162-T164 PolarHBondContact O-N 3Å; T164-N166 VanDerWaalsContact C-N 3.34Å; T164-N166 PolarHBondContact O-N 2.86Å; T164-T167 PolarHBondContact O-N 3.3Å; T164-E168 PolarHBondContact O-N 3.48Å
165Y91.4Very high93.9Very high172 Ų17276 Ų7668%0.67539%0.393SS*.Hα-helixtrans-60.4-42.3178.7-179.8-100.2000112.2S161 E162 T169S161-Y165 PolarHBondContact O-N 3.36Å; E162-Y165 PolarHBondContact O-N 3.09Å; Y165-T169 PolarHBondContact O-N 2.95Å; Y165-T169 VanDerWaalsContact O-N 3.08Å; Y165-T169 PolarHBondContact O-OG1 2.99Å
166N92.9Very high93.7Very high61 Ų6173.7 Ų73.733%0.32639%0.385SS..Hα-helixtrans-68.5-43.9178.9-158.8-82.5000112.1M149 E162 F163 T164 E168 T169 Q170M149-N166 HydrophobicContact CE-CB 4.41Å; M149-N166 VanDerWaalsContact CE-OD1 3.28Å; M149-N166 WeakPolarHBondContact CE-OD1 3.46Å; M149-N166 HydrophobicContact SD-CB 4.21Å; M149-N166 PolarHBondContact SD-OD1 2.88Å; E162-N166 WeakPolarHBondContact O-CB 3.36Å; E162-N166 PolarHBondContact O-N 3.46Å; F163-N166 PolarHBondContact O-N 3.31Å; T164-N166 VanDerWaalsContact C-N 3.34Å; T164-N166 PolarHBondContact O-N 2.86Å; N166-E168 VanDerWaalsContact C-N 3.3Å; N166-E168 PolarHBondContact O-N 3.06Å; N166-T169 WeakPolarHBondContact O-CB 3.49Å; N166-T169 PolarHBondContact O-N 3.44Å; N166-Q170 WeakPolarHBondContact O-CG 3.45Å; N166-Q170 PolarHBondContact O-N 3.31Å
167T94.1Very high93.7Very high1 Ų169.2 Ų69.21%0.00636%0.364CS..Hα-helixtrans-57.2-45.7176.8-61.70000110.6T146 M149 T150 F163 T164 Q170 R171T146-T167 HydrophobicContact CG2-CG2 3.59Å; M149-T167 WeakPolarHBondContact CB-OG1 3.15Å; T150-T167 WeakPolarHBondContact OG1-CG2 3.41Å; F163-T167 WeakPolarHBondContact O-CB 3.45Å; F163-T167 PolarHBondContact O-N 3.32Å; F163-T167 PolarHBondContact O-OG1 3.16Å; T164-T167 PolarHBondContact O-N 3.3Å; T167-Q170 PolarHBondContact O-N 2.94Å; T167-R171 WeakPolarHBondContact O-CG 3.27Å; T167-R171 PolarHBondContact O-N 3.34Å
168E91.7Very high93.8Very high88 Ų8869 Ų6941%0.41136%0.355SS..Hα-helixtrans-65.6-40.7179.4-169.755-153.200112.1T164 N166 Q170 R171 I172T164-E168 PolarHBondContact O-N 3.48Å; N166-E168 VanDerWaalsContact C-N 3.3Å; N166-E168 PolarHBondContact O-N 3.06Å; E168-Q170 PolarHBondContact O-N 3.3Å; E168-R171 PolarHBondContact O-N 3.11Å; E168-R171 IonicContact OE2-CZ 3.9Å; E168-R171 IonicContact OE2-NH1 2.9Å; E168-R171 PolarHBondContact OE2-NH1 3.25Å; E168-I172 WeakPolarHBondContact O-CG1 3.39Å; E168-I172 PolarHBondContact O-N 3.44Å; E168-I172 VanDerWaalsContact O-N 3.1Å
169T92Very high93.8Very high57 Ų5767.7 Ų67.735%0.3534%0.342SS..Hα-helixtrans-58.6-46.5173.3-58.10000111.4Y165 N166 R171 I172 V173Y165-T169 PolarHBondContact O-N 2.95Å; Y165-T169 VanDerWaalsContact O-N 3.08Å; Y165-T169 PolarHBondContact O-OG1 2.99Å; N166-T169 WeakPolarHBondContact O-CB 3.49Å; N166-T169 PolarHBondContact O-N 3.44Å; T169-R171 VanDerWaalsContact C-N 3.35Å; T169-R171 PolarHBondContact O-N 3.02Å; T169-I172 PolarHBondContact O-N 3.29Å; T169-V173 WeakPolarHBondContact O-CG2 3.47Å; T169-V173 PolarHBondContact O-N 2.79Å
170Q94.1Very high93.8Very high41 Ų4164.7 Ų64.719%0.19233%0.326CS..Hα-helixtrans-63.8-37.2177.9-70.2-67.8-7.100112.6F145 T146 N166 T167 E168 I172 V173 I174F145-Q170 HydrophobicContact CD1-CG 4.05Å; F145-Q170 HydrophobicContact CE1-CG 3.94Å; T146-Q170 HydrophobicContact CG2-CB 4.38Å; T146-Q170 VanDerWaalsContact OG1-CB 3.24Å; T146-Q170 WeakPolarHBondContact OG1-CB 3.19Å; N166-Q170 WeakPolarHBondContact O-CG 3.45Å; N166-Q170 PolarHBondContact O-N 3.31Å; T167-Q170 PolarHBondContact O-N 2.94Å; E168-Q170 PolarHBondContact O-N 3.3Å; Q170-I172 VanDerWaalsContact C-N 3.33Å; Q170-I172 PolarHBondContact O-N 3.37Å; Q170-V173 PolarHBondContact O-N 3.31Å; Q170-I174 WeakPolarHBondContact O-CB 3.28Å; Q170-I174 WeakPolarHBondContact O-CD1 3.15Å; Q170-I174 VanDerWaalsContact O-CG1 3.22Å; Q170-I174 WeakPolarHBondContact O-CG1 3.42Å; Q170-I174 PolarHBondContact O-N 3.32Å
171R93.4Very high93.9Very high117 Ų11763.4 Ų63.444%0.44232%0.316SS..Hα-helixtrans-60.5-42.2174.1-72.1178.7-168.6147.6-0.6112.1T146 T167 E168 T169 I174 S175T146-R171 HydrophobicContact CG2-CG 3.86Å; T167-R171 WeakPolarHBondContact O-CG 3.27Å; T167-R171 PolarHBondContact O-N 3.34Å; E168-R171 PolarHBondContact O-N 3.11Å; E168-R171 IonicContact OE2-CZ 3.9Å; E168-R171 IonicContact OE2-NH1 2.9Å; E168-R171 PolarHBondContact OE2-NH1 3.25Å; T169-R171 VanDerWaalsContact C-N 3.35Å; T169-R171 PolarHBondContact O-N 3.02Å; R171-I174 PolarHBondContact O-N 3.4Å; R171-S175 WeakPolarHBondContact O-CB 3.44Å; R171-S175 PolarHBondContact O-N 2.92Å
172I91.1Very high94.1Very high89 Ų8962.6 Ų62.646%0.45631%0.314SS..Hα-helixtrans-63.3-44.6175.3-64.4166.8000110.4E168 T169 Q170 S175 N176E168-I172 WeakPolarHBondContact O-CG1 3.39Å; E168-I172 PolarHBondContact O-N 3.44Å; E168-I172 VanDerWaalsContact O-N 3.1Å; T169-I172 PolarHBondContact O-N 3.29Å; Q170-I172 VanDerWaalsContact C-N 3.33Å; Q170-I172 PolarHBondContact O-N 3.37Å; I172-S175 PolarHBondContact O-N 3.38Å; I172-N176 PolarHBondContact O-N 3.03Å
173V92.1Very high94.2Very high40 Ų4060 Ų6024%0.24231%0.307CS..Hα-helixtrans-62.7-43.5177.8178.20000111.4T169 Q170 N176 G177T169-V173 WeakPolarHBondContact O-CG2 3.47Å; T169-V173 PolarHBondContact O-N 2.79Å; Q170-V173 PolarHBondContact O-N 3.31Å; V173-N176 PolarHBondContact O-N 3.31Å; V173-G177 PolarHBondContact O-N 2.86Å
174I94.6Very high94.2Very high14 Ų1458.6 Ų58.67%0.07230%0.302CS..Hα-helixtrans-59.4-49.2175.6-70.8159.1000110.2I139 Q142 R143 T146 Q170 R171 N176 G177 E178I139-I174 HydrophobicContact CG2-CG2 4.18Å; Q142-I174 HydrophobicContact CB-CD1 3.9Å; Q142-I174 HydrophobicContact CB-CG1 3.58Å; R143-I174 HydrophobicContact CG-CD1 4.02Å; R143-I174 HydrophobicContact CG-CG1 4.48Å; R143-I174 HydrophobicContact CG-CG2 4.03Å; T146-I174 WeakPolarHBondContact OG1-CD1 3.42Å; Q170-I174 WeakPolarHBondContact O-CB 3.28Å; Q170-I174 WeakPolarHBondContact O-CD1 3.15Å; Q170-I174 VanDerWaalsContact O-CG1 3.22Å; Q170-I174 WeakPolarHBondContact O-CG1 3.42Å; Q170-I174 PolarHBondContact O-N 3.32Å; R171-I174 PolarHBondContact O-N 3.4Å; I174-N176 VanDerWaalsContact C-N 3.34Å; I174-N176 PolarHBondContact O-N 3.46Å; I174-G177 PolarHBondContact O-N 2.85Å; I174-G177 VanDerWaalsContact O-N 3.14Å; I174-E178 WeakPolarHBondContact O-CG 3.26Å; I174-E178 PolarHBondContact O-N 3.43Å
175S93.1Very high94.4Very high52 Ų5257.3 Ų57.336%0.36429%0.292SS..Hα-helixtrans-60.1-42.1179.9-176.40000112.5R171 I172R171-S175 WeakPolarHBondContact O-CB 3.44Å; R171-S175 PolarHBondContact O-N 2.92Å; I172-S175 PolarHBondContact O-N 3.38Å
176N92.2Very high94.7Very high67 Ų6753.9 Ų53.936%0.35828%0.282SS..Hα-helixtrans-72.1-34.5175.8-71.3-20.8000112.2I172 V173 I174 E178 K179 L180 F313I172-N176 PolarHBondContact O-N 3.03Å; V173-N176 PolarHBondContact O-N 3.31Å; I174-N176 VanDerWaalsContact C-N 3.34Å; I174-N176 PolarHBondContact O-N 3.46Å; N176-E178 VanDerWaalsContact C-N 3.35Å; N176-K179 WeakPolarHBondContact O-CB 3.46Å; N176-K179 PolarHBondContact O-N 2.95Å; N176-K179 PolarHBondContact OD1-NZ 3.4Å; N176-K179 VanDerWaalsContact OD1-NZ 3.11Å; N176-L180 PolarHBondContact O-N 3.24Å; N176-L180 VanDerWaalsContact O-N 3.1Å; N176-F313 HydrophobicContact CB-CD2 4.15Å; N176-F313 HydrophobicContact CB-CE2 4.25Å
177G95.2Very high95Very high0 Ų051.3 Ų51.30%027%0.268CS..Hα-helixtrans-62.6-40.4174.700000111.8F135 I139 V173 I174 K179 L180 L181F135-G177 VanDerWaalsContact CE1-O 3.31Å; F135-G177 WeakPolarHBondContact CE1-O 3.25Å; I139-G177 WeakPolarHBondContact CD1-O 3.49Å; V173-G177 PolarHBondContact O-N 2.86Å; I174-G177 PolarHBondContact O-N 2.85Å; I174-G177 VanDerWaalsContact O-N 3.14Å; G177-K179 VanDerWaalsContact C-N 3.29Å; G177-K179 PolarHBondContact O-N 3.45Å; G177-L180 PolarHBondContact O-N 2.87Å; G177-L181 WeakPolarHBondContact O-CB 3.42Å; G177-L181 PolarHBondContact O-N 2.9Å
178E95.8Very high95.2Very high84 Ų8451.9 Ų51.939%0.39327%0.271SS..Hα-helixtrans-59.3-39.5174.8-73.2173171.700112.2I139 R143 I174 N176 L181 A182I139-E178 HydrophobicContact CG2-CG 4.43Å; R143-E178 IonicContact CZ-OE1 3.52Å; R143-E178 IonicContact NE-OE1 3.59Å; R143-E178 IonicContact NH2-OE1 2.64Å; R143-E178 PolarHBondContact NH2-OE1 2.9Å; I174-E178 WeakPolarHBondContact O-CG 3.26Å; I174-E178 PolarHBondContact O-N 3.43Å; N176-E178 VanDerWaalsContact C-N 3.35Å; E178-L181 PolarHBondContact O-N 2.91Å; E178-A182 PolarHBondContact O-N 2.89Å
179K95Very high95.5Very high126 Ų12652.2 Ų52.255%0.54828%0.276SS..Hα-helixtrans-65.1-46.4175.6-61.1168.4-167.1160.70111.4N176 G177 L181 A182 S183N176-K179 WeakPolarHBondContact O-CB 3.46Å; N176-K179 PolarHBondContact O-N 2.95Å; N176-K179 PolarHBondContact OD1-NZ 3.4Å; N176-K179 VanDerWaalsContact OD1-NZ 3.11Å; G177-K179 VanDerWaalsContact C-N 3.29Å; G177-K179 PolarHBondContact O-N 3.45Å; K179-L181 VanDerWaalsContact C-N 3.34Å; K179-L181 PolarHBondContact O-N 3.43Å; K179-A182 WeakPolarHBondContact O-CB 3.47Å; K179-A182 PolarHBondContact O-N 3.11Å; K179-S183 PolarHBondContact O-N 3.5Å; K179-S183 VanDerWaalsContact O-N 3.08Å; K179-S183 PolarHBondContact O-OG 3.4Å
180L96.4Very high95.7Very high11 Ų1150.8 Ų50.86%0.05827%0.267CS..Hα-helixtrans-63.6-40.4176.3177.561.5000111.5F135 N176 G177 A182 S183 L184 A309 F313F135-L180 HydrophobicContact CE1-CB 3.99Å; F135-L180 HydrophobicContact CE1-CD2 3.91Å; F135-L180 HydrophobicContact CE1-CG 3.97Å; F135-L180 HydrophobicContact CE2-CD2 4.49Å; F135-L180 HydrophobicContact CZ-CB 4.4Å; F135-L180 HydrophobicContact CZ-CD2 3.76Å; F135-L180 HydrophobicContact CZ-CG 4.32Å; N176-L180 PolarHBondContact O-N 3.24Å; N176-L180 VanDerWaalsContact O-N 3.1Å; G177-L180 PolarHBondContact O-N 2.87Å; L180-A182 VanDerWaalsContact C-N 3.32Å; L180-A182 PolarHBondContact O-N 3.28Å; L180-S183 WeakPolarHBondContact O-CB 3.31Å; L180-S183 PolarHBondContact O-N 2.94Å; L180-L184 HydrophobicContact CG-CD1 4.27Å; L180-L184 WeakPolarHBondContact O-CG 3.39Å; L180-L184 PolarHBondContact O-N 3.43Å; L180-A309 HydrophobicContact CD1-CB 3.97Å; L180-F313 HydrophobicContact CB-CB 4.41Å; L180-F313 HydrophobicContact CB-CD2 4.18Å; L180-F313 HydrophobicContact CB-CG 4.31Å; L180-F313 HydrophobicContact CD2-CB 3.78Å; L180-F313 HydrophobicContact CD2-CD1 3.56Å; L180-F313 HydrophobicContact CD2-CD2 4.09Å; L180-F313 HydrophobicContact CD2-CE1 4.14Å; L180-F313 HydrophobicContact CD2-CG 3.53Å; L180-F313 HydrophobicContact CG-CG 4.49Å
181L97.6Very high95.9Very high19 Ų1948.9 Ų48.910%0.09926%0.258CS..Hα-helixtrans-61.4-41.6176.2179.562000111.1A132 F135 R136 I139 G177 E178 K179 S183 L184 N185A132-L181 HydrophobicContact CB-CD1 4.46Å; A132-L181 VanDerWaalsContact O-CD1 3.32Å; A132-L181 WeakPolarHBondContact O-CD1 3.4Å; F135-L181 HydrophobicContact CD1-CB 3.93Å; F135-L181 HydrophobicContact CD1-CD1 4.17Å; F135-L181 HydrophobicContact CE1-CB 4.17Å; R136-L181 HydrophobicContact CB-CD1 4.14Å; R136-L181 HydrophobicContact CB-CD2 3.89Å; R136-L181 HydrophobicContact CG-CD2 4.02Å; I139-L181 HydrophobicContact CD1-CB 4Å; I139-L181 HydrophobicContact CD1-CD2 4.04Å; G177-L181 WeakPolarHBondContact O-CB 3.42Å; G177-L181 PolarHBondContact O-N 2.9Å; E178-L181 PolarHBondContact O-N 2.91Å; K179-L181 VanDerWaalsContact C-N 3.34Å; K179-L181 PolarHBondContact O-N 3.43Å; L181-S183 VanDerWaalsContact C-N 3.35Å; L181-L184 PolarHBondContact O-N 2.74Å; L181-N185 PolarHBondContact O-N 2.79Å; L181-N185 PolarHBondContact O-ND2 3.43Å
182A97.5Very high96.1Very high61 Ų6146.6 Ų46.650%0.50426%0.255SS..Hα-helixtrans-60.9-43.4174.200000111.7E178 K179 L180 N185 H186E178-A182 PolarHBondContact O-N 2.89Å; K179-A182 WeakPolarHBondContact O-CB 3.47Å; K179-A182 PolarHBondContact O-N 3.11Å; L180-A182 VanDerWaalsContact C-N 3.32Å; L180-A182 PolarHBondContact O-N 3.28Å; A182-N185 PolarHBondContact O-N 3.27Å; A182-H186 PolarHBondContact O-N 3.35Å
183S97.1Very high96.4Very high50 Ų5046 Ų4635%0.3526%0.255SS..Hα-helixtrans-62.5-41.4174.3-57.50000112.9K179 L180 L181 H186 F187K179-S183 PolarHBondContact O-N 3.5Å; K179-S183 VanDerWaalsContact O-N 3.08Å; K179-S183 PolarHBondContact O-OG 3.4Å; L180-S183 WeakPolarHBondContact O-CB 3.31Å; L180-S183 PolarHBondContact O-N 2.94Å; L181-S183 VanDerWaalsContact C-N 3.35Å; S183-H186 PolarHBondContact O-N 3.17Å; S183-F187 PolarHBondContact O-N 3.23Å
184L97.7Very high96.6Very high10 Ų1044.4 Ų44.45%0.05225%0.245CC..Hα-helixtrans-63.4-45176.3-77.5169.1000112L131 A132 F135 L180 L181 H186 F187 V188 L306L131-L184 HydrophobicContact CD2-CD2 4.08Å; A132-L184 HydrophobicContact CB-CB 4.23Å; F135-L184 HydrophobicContact CB-CD1 4.47Å; F135-L184 HydrophobicContact CD1-CD1 4.01Å; F135-L184 HydrophobicContact CG-CD1 4.4Å; L180-L184 HydrophobicContact CG-CD1 4.27Å; L180-L184 WeakPolarHBondContact O-CG 3.39Å; L180-L184 PolarHBondContact O-N 3.43Å; L181-L184 PolarHBondContact O-N 2.74Å; L184-H186 VanDerWaalsContact C-N 3.33Å; L184-H186 PolarHBondContact O-N 3.45Å; L184-F187 WeakPolarHBondContact O-CB 3.28Å; L184-F187 PolarHBondContact O-N 3.3Å; L184-V188 WeakPolarHBondContact O-CG2 3.14Å; L184-V188 PolarHBondContact O-N 2.98Å; L184-L306 HydrophobicContact CD2-CD1 3.62Å
185N98Very high96.7Very high44 Ų4444.4 Ų44.424%0.23525%0.245CC..Hα-helixtrans-61.7-43176.8-69.7-44.8000111R136 L181 A182 F187 V188 D189R136-N185 PolarHBondContact NH2-ND2 3.18Å; R136-N185 PolarHBondContact NH2-OD1 3.43Å; L181-N185 PolarHBondContact O-N 2.79Å; L181-N185 PolarHBondContact O-ND2 3.43Å; A182-N185 PolarHBondContact O-N 3.27Å; N185-F187 VanDerWaalsContact C-N 3.29Å; N185-F187 PolarHBondContact O-N 3.25Å; N185-V188 WeakPolarHBondContact O-CB 3.44Å; N185-V188 PolarHBondContact O-N 3.08Å; N185-V188 VanDerWaalsContact O-N 3.14Å; N185-D189 PolarHBondContact O-N 2.92Å
186H97.7Very high96.9Very high99 Ų9944.4 Ų44.446%0.45825%0.246SC..Hα-helixtrans-60-39.3175.9-17673.5000112.8A182 S183 L184 T190 Q302A182-H186 PolarHBondContact O-N 3.35Å; S183-H186 PolarHBondContact O-N 3.17Å; L184-H186 VanDerWaalsContact C-N 3.33Å; L184-H186 PolarHBondContact O-N 3.45Å; H186-T190 WeakPolarHBondContact O-CB 3.46Å; H186-T190 PolarHBondContact O-N 2.77Å; H186-T190 PolarHBondContact O-OG1 3.42Å; H186-Q302 PolarHBondContact NE2-NE2 3.46Å
187F98Very high97.1Very high8 Ų847.5 Ų47.54%0.03526%0.257CS..Hα-helixtrans-63.1-44.8174.4178.3-103.9000111.9A128 S183 L184 N185 T190 L191 M299 Q302 L303 L306A128-F187 HydrophobicContact CB-CD1 4.05Å; A128-F187 HydrophobicContact CB-CE1 3.97Å; S183-F187 PolarHBondContact O-N 3.23Å; L184-F187 WeakPolarHBondContact O-CB 3.28Å; L184-F187 PolarHBondContact O-N 3.3Å; N185-F187 VanDerWaalsContact C-N 3.29Å; N185-F187 PolarHBondContact O-N 3.25Å; F187-T190 PolarHBondContact O-N 3.04Å; F187-L191 HydrophobicContact CD1-CD1 3.98Å; F187-L191 HydrophobicContact CE1-CD1 3.37Å; F187-L191 HydrophobicContact CE1-CG 4.15Å; F187-L191 HydrophobicContact CE2-CD1 4.45Å; F187-L191 HydrophobicContact CE2-CG 4.44Å; F187-L191 HydrophobicContact CZ-CD1 3.64Å; F187-L191 HydrophobicContact CZ-CD2 4.48Å; F187-L191 HydrophobicContact CZ-CG 4.08Å; F187-L191 PolarHBondContact O-N 3.34Å; F187-M299 HydrophobicContact CE2-CE 4.46Å; F187-M299 HydrophobicContact CZ-CE 4.49Å; F187-Q302 HydrophobicContact CD2-CB 3.96Å; F187-Q302 HydrophobicContact CE2-CB 4.1Å; F187-L303 HydrophobicContact CE2-CD2 4.17Å; F187-L303 HydrophobicContact CZ-CD2 4.23Å; F187-L306 HydrophobicContact CD1-CD2 4.11Å; F187-L306 HydrophobicContact CD2-CB 4.41Å; F187-L306 HydrophobicContact CD2-CD2 4.23Å; F187-L306 HydrophobicContact CE1-CD2 3.98Å; F187-L306 HydrophobicContact CE2-CD2 4.13Å; F187-L306 HydrophobicContact CG-CD2 4.23Å; F187-L306 HydrophobicContact CZ-CD2 4Å
188V98.4Very high97.1Very high13 Ų1348.7 Ų48.78%0.07927%0.268CS..Hα-helixtrans-59.9-48.5176.1172.50000111A128 E129 A132 L184 N185 T190 L191 N192A128-V188 HydrophobicContact CB-CG2 3.75Å; E129-V188 HydrophobicContact CB-CG1 4.27Å; A132-V188 HydrophobicContact CB-CG2 4.45Å; L184-V188 WeakPolarHBondContact O-CG2 3.14Å; L184-V188 PolarHBondContact O-N 2.98Å; N185-V188 WeakPolarHBondContact O-CB 3.44Å; N185-V188 PolarHBondContact O-N 3.08Å; N185-V188 VanDerWaalsContact O-N 3.14Å; V188-T190 VanDerWaalsContact C-N 3.3Å; V188-T190 PolarHBondContact O-N 3.39Å; V188-L191 PolarHBondContact O-N 2.91Å; V188-N192 PolarHBondContact O-N 3.33Å
189D97.8Very high97.2Very high95 Ų9544.7 Ų44.751%0.50825%0.249SC..Hα-helixtrans-61.5-38.7179.3-68.4-26000112.1N185 N192 T193N185-D189 PolarHBondContact O-N 2.92Å; D189-N192 PolarHBondContact O-N 3.32Å; D189-T193 WeakPolarHBondContact O-CB 3.26Å; D189-T193 PolarHBondContact O-N 3.45Å; D189-T193 PolarHBondContact O-OG1 3.05Å
190T97.4Very high97.2Very high26 Ų2641.7 Ų41.716%0.1624%0.241CC..Hα-helixtrans-68.4-42177.3-56.40000111.7H186 F187 V188 N192 T193 L194 V298 Q302H186-T190 WeakPolarHBondContact O-CB 3.46Å; H186-T190 PolarHBondContact O-N 2.77Å; H186-T190 PolarHBondContact O-OG1 3.42Å; F187-T190 PolarHBondContact O-N 3.04Å; V188-T190 VanDerWaalsContact C-N 3.3Å; V188-T190 PolarHBondContact O-N 3.39Å; T190-N192 VanDerWaalsContact C-N 3.35Å; T190-T193 PolarHBondContact O-N 2.88Å; T190-L194 WeakPolarHBondContact O-CB 3.42Å; T190-L194 PolarHBondContact O-N 2.87Å; T190-V298 HydrophobicContact CG2-CG1 3.55Å; T190-Q302 HydrophobicContact CG2-CG 3.62Å; T190-Q302 PolarHBondContact OG1-NE2 2.97Å
191L97.4Very high97.3Very high1 Ų144.2 Ų44.21%0.00526%0.255CS..Hα-helixtrans-61-44.5172.8-79.6179.2000111.5Y121 L124 H125 A128 F187 V188 T193 L194 I195 M299Y121-L191 HydrophobicContact CD1-CD2 4.24Å; L124-L191 HydrophobicContact CD2-CD1 4.24Å; L124-L191 HydrophobicContact CD2-CD2 4.29Å; L124-L191 HydrophobicContact CG-CD1 4Å; H125-L191 HydrophobicContact CB-CB 4.33Å; H125-L191 HydrophobicContact CB-CD1 4.41Å; A128-L191 HydrophobicContact CB-CD1 4.34Å; F187-L191 HydrophobicContact CD1-CD1 3.98Å; F187-L191 HydrophobicContact CE1-CD1 3.37Å; F187-L191 HydrophobicContact CE1-CG 4.15Å; F187-L191 HydrophobicContact CE2-CD1 4.45Å; F187-L191 HydrophobicContact CE2-CG 4.44Å; F187-L191 HydrophobicContact CZ-CD1 3.64Å; F187-L191 HydrophobicContact CZ-CD2 4.48Å; F187-L191 HydrophobicContact CZ-CG 4.08Å; F187-L191 PolarHBondContact O-N 3.34Å; V188-L191 PolarHBondContact O-N 2.91Å; L191-T193 VanDerWaalsContact C-N 3.32Å; L191-T193 PolarHBondContact O-N 3.49Å; L191-L194 PolarHBondContact O-N 3.33Å; L191-I195 WeakPolarHBondContact O-CB 3.18Å; L191-I195 WeakPolarHBondContact O-CD1 3.23Å; L191-I195 VanDerWaalsContact O-CG1 3.24Å; L191-I195 WeakPolarHBondContact O-CG1 3.49Å; L191-I195 PolarHBondContact O-N 2.75Å; L191-M299 HydrophobicContact CD2-CE 3.83Å; L191-M299 HydrophobicContact CD2-SD 3.57Å; L191-M299 VanDerWaalsContact CD2-SD 3.57Å
192N97.9Very high97.3Very high69 Ų6943.5 Ų43.537%0.36925%0.251SS..Hα-helixtrans-60.4-44.2177.3-175.135.1000111V188 D189 T190 L194 I195 S196V188-N192 PolarHBondContact O-N 3.33Å; D189-N192 PolarHBondContact O-N 3.32Å; T190-N192 VanDerWaalsContact C-N 3.35Å; N192-L194 PolarHBondContact O-N 2.94Å; N192-I195 PolarHBondContact O-N 3.37Å; N192-S196 WeakPolarHBondContact O-CB 3.41Å; N192-S196 PolarHBondContact O-N 2.86Å; N192-S196 PolarHBondContact O-OG 3.38Å; N192-S196 PolarHBondContact OD1-OG 2.85Å
193T97.5Very high97.3Very high77 Ų7743.2 Ų43.247%0.47224%0.237SC..Hα-helixtrans-60.6-46.1177.8-600000111.4D189 T190 L191 I195 H197D189-T193 WeakPolarHBondContact O-CB 3.26Å; D189-T193 PolarHBondContact O-N 3.45Å; D189-T193 PolarHBondContact O-OG1 3.05Å; T190-T193 PolarHBondContact O-N 2.88Å; L191-T193 VanDerWaalsContact C-N 3.32Å; L191-T193 PolarHBondContact O-N 3.49Å; T193-I195 PolarHBondContact O-N 3.02Å; T193-H197 WeakPolarHBondContact O-CB 3.36Å; T193-H197 PolarHBondContact O-N 3.39Å
194L96.5Very high97.3Very high6 Ų643 Ų433%0.03123%0.234CC..Iπ-helixtrans-60.2-46.2177.9-178.866.8000111.3Y121 T190 L191 N192 A198 F199 R295 M299Y121-L194 HydrophobicContact CD1-CD2 3.84Å; Y121-L194 HydrophobicContact CE1-CD2 3.65Å; T190-L194 WeakPolarHBondContact O-CB 3.42Å; T190-L194 PolarHBondContact O-N 2.87Å; L191-L194 PolarHBondContact O-N 3.33Å; N192-L194 PolarHBondContact O-N 2.94Å; L194-A198 HydrophobicContact CD1-CB 4.02Å; L194-A198 WeakPolarHBondContact O-CB 3.43Å; L194-A198 PolarHBondContact O-N 3.17Å; L194-A198 VanDerWaalsContact O-N 3.09Å; L194-F199 HydrophobicContact CD2-CE2 4.24Å; L194-F199 HydrophobicContact CG-CD2 4.11Å; L194-F199 HydrophobicContact CG-CE2 3.95Å; L194-F199 WeakPolarHBondContact O-CD2 3.07Å; L194-F199 PolarHBondContact O-N 3.13Å; L194-R295 HydrophobicContact CD1-CB 4.43Å; L194-R295 HydrophobicContact CD2-CG 4.22Å; L194-M299 HydrophobicContact CD2-CG 4.09Å; L194-M299 HydrophobicContact CD2-SD 4Å
195I97.1Very high97.3Very high14 Ų1443.3 Ų43.37%0.07224%0.236CC..Iπ-helixtrans-70.1-53.3-179.2-66.5163.2000111.3Y121 K122 H125 L191 N192 T193 H197 F199 T200Y121-I195 WeakPolarHBondContact O-CD1 3.4Å; K122-I195 HydrophobicContact CG-CD1 4.46Å; K122-I195 HydrophobicContact CG-CG2 3.92Å; H125-I195 HydrophobicContact CB-CD1 3.65Å; L191-I195 WeakPolarHBondContact O-CB 3.18Å; L191-I195 WeakPolarHBondContact O-CD1 3.23Å; L191-I195 VanDerWaalsContact O-CG1 3.24Å; L191-I195 WeakPolarHBondContact O-CG1 3.49Å; L191-I195 PolarHBondContact O-N 2.75Å; N192-I195 PolarHBondContact O-N 3.37Å; T193-I195 PolarHBondContact O-N 3.02Å; I195-H197 PolarHBondContact O-N 3.26Å; I195-F199 WeakPolarHBondContact O-CB 3.46Å; I195-T200 PolarHBondContact O-N 3.44Å; I195-T200 PolarHBondContact O-OG1 3.35Å
196S96.6Very high97.2Very high53 Ų5341.2 Ų41.237%0.37123%0.225SC..Iπ-helixtrans-71.6-30.1-171.9-66.50000112.8N192 T200N192-S196 WeakPolarHBondContact O-CB 3.41Å; N192-S196 PolarHBondContact O-N 2.86Å; N192-S196 PolarHBondContact O-OG 3.38Å; N192-S196 PolarHBondContact OD1-OG 2.85Å; S196-T200 WeakPolarHBondContact O-CB 3.48Å; S196-T200 PolarHBondContact O-OG1 3.49Å
197H95.9Very high97.2Very high131 Ų13139.4 Ų39.461%0.60622%0.223SC*.Iπ-helixtrans-106-61.7179.5-62.3-75.7000112.9T193 I195 T200 D201T193-H197 WeakPolarHBondContact O-CB 3.36Å; T193-H197 PolarHBondContact O-N 3.39Å; I195-H197 PolarHBondContact O-N 3.26Å; H197-T200 PolarHBondContact O-N 3.26Å; H197-D201 VanDerWaalsContact O-CB 3.31Å; H197-D201 WeakPolarHBondContact O-CB 3.34Å; H197-D201 PolarHBondContact O-N 2.84Å
198A95.9Very high97.1Very high26 Ų2641.6 Ų41.622%0.21524%0.239CC..Iπ-helixtrans-71.6-44.7-169.700000113.2L194 T202 L291L194-A198 HydrophobicContact CD1-CB 4.02Å; L194-A198 WeakPolarHBondContact O-CB 3.43Å; L194-A198 PolarHBondContact O-N 3.17Å; L194-A198 VanDerWaalsContact O-N 3.09Å; A198-T202 PolarHBondContact O-N 3.5Å; A198-T202 PolarHBondContact O-OG1 2.74Å; A198-T202 VanDerWaalsContact O-OG1 3.11Å; A198-L291 HydrophobicContact CB-CD1 3.7Å
199F97.3Very high97.1Very high0 Ų041 Ų410%024%0.236CC..Iπ-helixtrans-65.4-43.3173.7-83.8-93.4000111.3F114 M117 H118 Y121 L194 I195 T202 W203 L291F114-F199 HydrophobicContact CD2-CD1 4.18Å; F114-F199 HydrophobicContact CD2-CE1 4.17Å; F114-F199 AromaticContact CE2-CD1 3.41Å; F114-F199 HydrophobicContact CE2-CD1 3.41Å; F114-F199 VanDerWaalsContact CE2-CD1 3.41Å; F114-F199 AromaticContact CE2-CE1 3.84Å; F114-F199 HydrophobicContact CE2-CE1 3.84Å; F114-F199 HydrophobicContact CE2-CG 4.38Å; F114-F199 HydrophobicContact CZ-CD1 4.13Å; M117-F199 HydrophobicContact CE-CE1 3.57Å; M117-F199 HydrophobicContact CE-CZ 3.74Å; M117-F199 HydrophobicContact CG-CE1 4.21Å; M117-F199 HydrophobicContact CG-CZ 4.09Å; M117-F199 HydrophobicContact SD-CZ 4.49Å; H118-F199 HydrophobicContact CB-CD1 3.57Å; H118-F199 HydrophobicContact CB-CE1 3.75Å; H118-F199 AromaticContact CD2-CD1 3.85Å; H118-F199 AromaticContact CG-CD1 3.71Å; Y121-F199 HydrophobicContact CD1-CE2 4.07Å; Y121-F199 HydrophobicContact CD1-CZ 4.33Å; Y121-F199 HydrophobicContact CD2-CZ 4.27Å; Y121-F199 HydrophobicContact CG-CE2 4.18Å; Y121-F199 HydrophobicContact CG-CZ 4.08Å; L194-F199 HydrophobicContact CD2-CE2 4.24Å; L194-F199 HydrophobicContact CG-CD2 4.11Å; L194-F199 HydrophobicContact CG-CE2 3.95Å; L194-F199 WeakPolarHBondContact O-CD2 3.07Å; L194-F199 PolarHBondContact O-N 3.13Å; I195-F199 WeakPolarHBondContact O-CB 3.46Å; F199-T202 PolarHBondContact O-N 2.88Å; F199-W203 VanDerWaalsContact O-CB 3.28Å; F199-W203 WeakPolarHBondContact O-CB 3.42Å; F199-W203 PolarHBondContact O-N 3.43Å; F199-L291 HydrophobicContact CD1-CD2 4.17Å; F199-L291 HydrophobicContact CE1-CD2 4.32Å; F199-L291 HydrophobicContact CG-CD2 4.45Å
200T96.5Very high96.9Very high62 Ų6239 Ų3938%0.3822%0.223SC..Hα-helixtrans-62.1-41.7178.5-56.50000113I195 S196 H197 W203 T204I195-T200 PolarHBondContact O-N 3.44Å; I195-T200 PolarHBondContact O-OG1 3.35Å; S196-T200 WeakPolarHBondContact O-CB 3.48Å; S196-T200 PolarHBondContact O-OG1 3.49Å; H197-T200 PolarHBondContact O-N 3.26Å; T200-W203 PolarHBondContact O-N 2.97Å; T200-T204 WeakPolarHBondContact O-CB 3.49Å; T200-T204 PolarHBondContact O-N 2.95Å; T200-T204 PolarHBondContact O-OG1 3.25Å
201D97.1Very high96.7Very high65 Ų6540.5 Ų40.535%0.34824%0.235SC..Hα-helixtrans-61.7-46176.9172.265.8000111.6H197 W203 T204 T205 K287H197-D201 VanDerWaalsContact O-CB 3.31Å; H197-D201 WeakPolarHBondContact O-CB 3.34Å; H197-D201 PolarHBondContact O-N 2.84Å; D201-W203 VanDerWaalsContact C-N 3.35Å; D201-W203 PolarHBondContact O-N 2.85Å; D201-T204 PolarHBondContact O-N 3.44Å; D201-T205 PolarHBondContact O-N 3.29Å; D201-T205 PolarHBondContact O-OG1 2.84Å; D201-K287 PolarHBondContact O-NZ 3.45Å; D201-K287 IonicContact OD1-NZ 2.69Å; D201-K287 PolarHBondContact OD1-NZ 3.47Å; D201-K287 WeakPolarHBondContact OD2-CE 3.39Å; D201-K287 IonicContact OD2-NZ 3.77Å; D201-K287 PolarHBondContact OD2-NZ 3.21Å
202T97.6Very high96.6Very high4 Ų440.6 Ų40.63%0.02524%0.236CC..Hα-helixtrans-63.7-42.8176-57.10000111F114 A198 F199 T204 T205 V206 K287 L288 L291F114-T202 HydrophobicContact CE1-CG2 4.11Å; F114-T202 HydrophobicContact CE2-CG2 4.03Å; F114-T202 HydrophobicContact CZ-CG2 3.73Å; A198-T202 PolarHBondContact O-N 3.5Å; A198-T202 PolarHBondContact O-OG1 2.74Å; A198-T202 VanDerWaalsContact O-OG1 3.11Å; F199-T202 PolarHBondContact O-N 2.88Å; T202-T204 VanDerWaalsContact C-N 3.33Å; T202-T204 PolarHBondContact O-N 3.38Å; T202-T205 PolarHBondContact O-N 3.01Å; T202-V206 WeakPolarHBondContact O-CG2 3.38Å; T202-V206 PolarHBondContact O-N 3.34Å; T202-K287 HydrophobicContact CG2-CB 4.21Å; T202-L288 HydrophobicContact CG2-CD2 3.84Å; T202-L288 HydrophobicContact CG2-CG 4.44Å; T202-L291 HydrophobicContact CG2-CD2 4.1Å
203W97.4Very high96.5Very high55 Ų5538.6 Ų38.621%0.20822%0.223CC..Hα-helixtrans-61.1-40.5177.2-175.9-99.6000112.5Y8 F114 R115 F199 T200 D201 T205 V206 S207Y8-W203 HydrophobicContact CE1-CZ2 4.03Å; Y8-W203 AromaticContact CZ-CZ2 3.9Å; Y8-W203 WeakPolarHBondContact OH-CH2 3.43Å; Y8-W203 WeakPolarHBondContact OH-CZ2 3.27Å; F114-W203 HydrophobicContact CD1-CE3 4.46Å; F114-W203 AromaticContact CE1-CE3 3.72Å; F114-W203 HydrophobicContact CE1-CE3 3.72Å; F114-W203 HydrophobicContact CE1-CZ3 4.37Å; F114-W203 HydrophobicContact CZ-CB 4.48Å; F114-W203 HydrophobicContact CZ-CE3 4.46Å; R115-W203 HydrophobicContact CG-CH2 4.08Å; R115-W203 HydrophobicContact CG-CZ3 3.54Å; R115-W203 VanDerWaalsContact NE-CH2 3.32Å; F199-W203 VanDerWaalsContact O-CB 3.28Å; F199-W203 WeakPolarHBondContact O-CB 3.42Å; F199-W203 PolarHBondContact O-N 3.43Å; T200-W203 PolarHBondContact O-N 2.97Å; D201-W203 VanDerWaalsContact C-N 3.35Å; D201-W203 PolarHBondContact O-N 2.85Å; W203-T205 VanDerWaalsContact C-N 3.28Å; W203-T205 PolarHBondContact O-N 3.33Å; W203-V206 PolarHBondContact O-N 2.89Å; W203-S207 WeakPolarHBondContact O-CB 3.45Å; W203-S207 PolarHBondContact O-N 3.49Å
204T97Very high96.4Very high45 Ų4536.4 Ų36.428%0.27621%0.208SC..Hα-helixtrans-60.6-40.4177.7-59.70000111.1T200 D201 T202 S207 S208T200-T204 WeakPolarHBondContact O-CB 3.49Å; T200-T204 PolarHBondContact O-N 2.95Å; T200-T204 PolarHBondContact O-OG1 3.25Å; D201-T204 PolarHBondContact O-N 3.44Å; T202-T204 VanDerWaalsContact C-N 3.33Å; T202-T204 PolarHBondContact O-N 3.38Å; T204-S207 PolarHBondContact O-N 3.27Å; T204-S208 WeakPolarHBondContact O-CB 3.31Å; T204-S208 PolarHBondContact O-N 2.86Å; T204-S208 PolarHBondContact O-OG 3.49Å
205T97.6Very high96.2Very high17 Ų1738.6 Ų38.610%0.10422%0.218CC..Hα-helixtrans-70.1-40.8175.6-53.30000112.2D201 T202 W203 S207 S208 M209 A283 V284 K287D201-T205 PolarHBondContact O-N 3.29Å; D201-T205 PolarHBondContact O-OG1 2.84Å; T202-T205 PolarHBondContact O-N 3.01Å; W203-T205 VanDerWaalsContact C-N 3.28Å; W203-T205 PolarHBondContact O-N 3.33Å; T205-S207 VanDerWaalsContact C-N 3.35Å; T205-S207 PolarHBondContact O-N 3.5Å; T205-S208 PolarHBondContact O-N 3.35Å; T205-M209 PolarHBondContact O-N 3.45Å; T205-A283 HydrophobicContact CG2-CB 4.15Å; T205-V284 HydrophobicContact CG2-CG2 3.85Å; T205-K287 HydrophobicContact CG2-CD 4.14Å; T205-K287 VanDerWaalsContact OG1-CD 3.32Å; T205-K287 WeakPolarHBondContact OG1-CD 3.47Å; T205-K287 WeakPolarHBondContact OG1-CE 3.45Å; T205-K287 PolarHBondContact OG1-NZ 3.43Å
206V97.5Very high96.1Very high0 Ų040.1 Ų40.10%022%0.223CC..Hα-helixtrans-58.2-47.1172.61710000110.9I111 F114 T202 W203 S208 M209 Q210 V284I111-V206 HydrophobicContact CD1-CG1 4.13Å; I111-V206 HydrophobicContact CG1-CG1 4.38Å; I111-V206 HydrophobicContact CG1-CG2 4.45Å; I111-V206 HydrophobicContact CG2-CG1 4.01Å; F114-V206 HydrophobicContact CE1-CG2 4.35Å; T202-V206 WeakPolarHBondContact O-CG2 3.38Å; T202-V206 PolarHBondContact O-N 3.34Å; W203-V206 PolarHBondContact O-N 2.89Å; V206-S208 VanDerWaalsContact C-N 3.33Å; V206-S208 PolarHBondContact O-N 3.28Å; V206-M209 WeakPolarHBondContact O-CB 3.05Å; V206-M209 PolarHBondContact O-N 2.84Å; V206-Q210 HydrophobicContact CG1-CG 4.48Å; V206-Q210 WeakPolarHBondContact O-CG 3.36Å; V206-Q210 PolarHBondContact O-N 3.45Å; V206-V284 HydrophobicContact CG2-CG1 3.78Å; V206-V284 HydrophobicContact CG2-CG2 4.2Å
207S96.5Very high96Very high60 Ų6037.6 Ų37.642%0.4221%0.206SC..Hα-helixtrans-61.7-41177.8-170.30000112W203 T204 T205 Q210 S211W203-S207 WeakPolarHBondContact O-CB 3.45Å; W203-S207 PolarHBondContact O-N 3.49Å; T204-S207 PolarHBondContact O-N 3.27Å; T205-S207 VanDerWaalsContact C-N 3.35Å; T205-S207 PolarHBondContact O-N 3.5Å; S207-Q210 PolarHBondContact O-N 2.95Å; S207-S211 PolarHBondContact O-N 2.97Å
208S96.7Very high95.9Very high54 Ų5431.8 Ų31.838%0.37818%0.18SC..Hα-helixtrans-63.3-43.4176.5-61.30000111.8T204 T205 V206 S211 A212T204-S208 WeakPolarHBondContact O-CB 3.31Å; T204-S208 PolarHBondContact O-N 2.86Å; T204-S208 PolarHBondContact O-OG 3.49Å; T205-S208 PolarHBondContact O-N 3.35Å; V206-S208 VanDerWaalsContact C-N 3.33Å; V206-S208 PolarHBondContact O-N 3.28Å; S208-S211 PolarHBondContact O-N 3.48Å; S208-A212 PolarHBondContact O-N 3.47Å
209M96.9Very high95.7Very high2 Ų231.2 Ų31.21%0.0117%0.173CC..Hα-helixtrans-61.8-45.5174.7-176-152.269.200111.5L107 I111 T205 V206 S211 A212 R213 Y277 L280 R281 V284L107-M209 HydrophobicContact CD2-CE 4.28Å; L107-M209 HydrophobicContact CD2-SD 3.61Å; I111-M209 HydrophobicContact CD1-CE 3.74Å; T205-M209 PolarHBondContact O-N 3.45Å; V206-M209 WeakPolarHBondContact O-CB 3.05Å; V206-M209 PolarHBondContact O-N 2.84Å; M209-S211 VanDerWaalsContact C-N 3.33Å; M209-S211 PolarHBondContact O-N 3.45Å; M209-A212 PolarHBondContact O-N 3.39Å; M209-A212 VanDerWaalsContact O-N 3.15Å; M209-R213 PolarHBondContact O-N 3.41Å; M209-Y277 HydrophobicContact CG-CD2 4.26Å; M209-Y277 HydrophobicContact CG-CE2 4.15Å; M209-L280 HydrophobicContact CB-CB 3.9Å; M209-L280 HydrophobicContact CG-CB 4.06Å; M209-R281 HydrophobicContact SD-CB 4.47Å; M209-V284 HydrophobicContact CB-CG2 3.77Å; M209-V284 HydrophobicContact CG-CG2 4.22Å; M209-V284 HydrophobicContact SD-CB 4.17Å; M209-V284 HydrophobicContact SD-CG1 4.49Å; M209-V284 HydrophobicContact SD-CG2 3.82Å
210Q95Very high95.4Very high51 Ų5133.5 Ų33.524%0.23818%0.182CC..Hα-helixtrans-61.6-40.8177.8-72.4-170.7-38.400111.9V206 S207 R213 I214V206-Q210 HydrophobicContact CG1-CG 4.48Å; V206-Q210 WeakPolarHBondContact O-CG 3.36Å; V206-Q210 PolarHBondContact O-N 3.45Å; S207-Q210 PolarHBondContact O-N 2.95Å; Q210-R213 WeakPolarHBondContact O-CB 3.22Å; Q210-R213 PolarHBondContact O-N 3.47Å; Q210-I214 WeakPolarHBondContact O-CG1 3.32Å; Q210-I214 PolarHBondContact O-N 2.82Å; Q210-I214 VanDerWaalsContact O-N 3.13Å
211S93.7Very high95Very high59 Ų5931.7 Ų31.741%0.41317%0.169SC..Hα-helixtrans-63-41173.3-177.70000112.1S207 S208 M209 I214 Q215S207-S211 PolarHBondContact O-N 2.97Å; S208-S211 PolarHBondContact O-N 3.48Å; M209-S211 VanDerWaalsContact C-N 3.33Å; M209-S211 PolarHBondContact O-N 3.45Å; S211-I214 PolarHBondContact O-N 3.15Å; S211-Q215 WeakPolarHBondContact O-CG 3.44Å; S211-Q215 PolarHBondContact O-N 2.89Å; S211-Q215 VanDerWaalsContact O-N 3.11Å
212A95.1Very high94.6Very high2 Ų230.9 Ų30.92%0.01716%0.164CC..Hα-helixtrans-66.3-37.6177.500000112.1S208 M209 Q215 Y216 R276 L280S208-A212 PolarHBondContact O-N 3.47Å; M209-A212 PolarHBondContact O-N 3.39Å; M209-A212 VanDerWaalsContact O-N 3.15Å; A212-Q215 PolarHBondContact O-N 3.01Å; A212-Y216 WeakPolarHBondContact O-CB 3.46Å; A212-Y216 PolarHBondContact O-N 3.11Å; A212-R276 HydrophobicContact CB-CG 4.34Å; A212-L280 HydrophobicContact CB-CD1 3.62Å
213R95.9Very high94.1Very high27 Ų2731 Ų3110%0.10216%0.164CC..Hα-helixtrans-58.9-48.9173.3-174.9-154.262.489.6-12.1111.5E94 T102 M209 Q210 Q215 Y216 D217 Y277E94-R213 IonicContact OE1-CZ 2.63Å; E94-R213 IonicContact OE1-NH1 3.09Å; E94-R213 PolarHBondContact OE1-NH1 3.32Å; E94-R213 IonicContact OE1-NH2 3.47Å; E94-R213 PolarHBondContact OE1-NH2 3.43Å; E94-R213 IonicContact OE2-CZ 2.86Å; E94-R213 IonicContact OE2-NH1 2.8Å; E94-R213 PolarHBondContact OE2-NH1 3.08Å; E94-R213 IonicContact OE2-NH2 3.13Å; E94-R213 PolarHBondContact OE2-NH2 2.96Å; T102-R213 VanDerWaalsContact O-CD 3.24Å; T102-R213 WeakPolarHBondContact O-CD 3.17Å; M209-R213 PolarHBondContact O-N 3.41Å; Q210-R213 WeakPolarHBondContact O-CB 3.22Å; Q210-R213 PolarHBondContact O-N 3.47Å; R213-Q215 VanDerWaalsContact C-N 3.31Å; R213-Q215 PolarHBondContact O-N 3.36Å; R213-Y216 WeakPolarHBondContact O-CB 3.21Å; R213-Y216 PolarHBondContact O-N 3.18Å; R213-D217 IonicContact CZ-OD2 2.7Å; R213-D217 IonicContact NH1-OD2 3.8Å; R213-D217 PolarHBondContact NH1-OD2 3.03Å; R213-D217 PolarHBondContact O-N 2.7Å; R213-Y277 HydrophobicContact CB-CD2 3.78Å; R213-Y277 HydrophobicContact CB-CE2 3.71Å; R213-Y277 HydrophobicContact CG-CD2 4.41Å; R213-Y277 HydrophobicContact CG-CE2 4Å
214I94Very high93.6Very high32 Ų3232.2 Ų32.216%0.16418%0.175CC..Hα-helixtrans-61.1-42179.4-66.1166.8000110.7C87 Q90 Q210 S211 D217 A218C87-I214 HydrophobicContact CB-CG2 3.86Å; C87-I214 WeakPolarHBondContact O-CG2 3.24Å; Q90-I214 HydrophobicContact CB-CG2 4.23Å; Q90-I214 HydrophobicContact CG-CG2 4.14Å; Q210-I214 WeakPolarHBondContact O-CG1 3.32Å; Q210-I214 PolarHBondContact O-N 2.82Å; Q210-I214 VanDerWaalsContact O-N 3.13Å; S211-I214 PolarHBondContact O-N 3.15Å; I214-D217 PolarHBondContact O-N 3.01Å; I214-A218 WeakPolarHBondContact O-CB 3.32Å; I214-A218 PolarHBondContact O-N 3.14Å
215Q93.2Very high93Very high51 Ų5135.2 Ų35.224%0.23819%0.185CC..Hα-helixtrans-62-44.8175.7-76.7175.633.900112.2C87 S211 A212 R213 A218 Y219C87-Q215 WeakPolarHBondContact SG-CG 3.44Å; S211-Q215 WeakPolarHBondContact O-CG 3.44Å; S211-Q215 PolarHBondContact O-N 2.89Å; S211-Q215 VanDerWaalsContact O-N 3.11Å; A212-Q215 PolarHBondContact O-N 3.01Å; R213-Q215 VanDerWaalsContact C-N 3.31Å; R213-Q215 PolarHBondContact O-N 3.36Å; Q215-A218 PolarHBondContact O-N 3.39Å; Q215-Y219 WeakPolarHBondContact O-CD2 3.4Å; Q215-Y219 PolarHBondContact O-N 3.01Å; Q215-Y219 VanDerWaalsContact O-N 3.09Å
216Y94.7Very high92.2Very high46 Ų4637.7 Ų37.718%0.1820%0.201CC..Hα-helixtrans-60.1-48.2176.1170.2-108.2000111.7T102 A212 R213 A218 Y219 R220 L270 A273 C274T102-Y216 HydrophobicContact CG2-CD1 4.47Å; T102-Y216 HydrophobicContact CG2-CE1 4.34Å; T102-Y216 WeakPolarHBondContact OG1-CD1 3.37Å; T102-Y216 VanDerWaalsContact OG1-CE1 3.29Å; T102-Y216 WeakPolarHBondContact OG1-CE1 3.42Å; A212-Y216 WeakPolarHBondContact O-CB 3.46Å; A212-Y216 PolarHBondContact O-N 3.11Å; R213-Y216 WeakPolarHBondContact O-CB 3.21Å; R213-Y216 PolarHBondContact O-N 3.18Å; Y216-A218 VanDerWaalsContact C-N 3.33Å; Y216-A218 PolarHBondContact O-N 2.94Å; Y216-Y219 PolarHBondContact O-N 3.45Å; Y216-R220 WeakPolarHBondContact O-CB 3.5Å; Y216-R220 PolarHBondContact O-N 2.98Å; Y216-L270 HydrophobicContact CD2-CD1 3.69Å; Y216-L270 HydrophobicContact CE2-CD1 3.57Å; Y216-L270 HydrophobicContact CE2-CG 4.36Å; Y216-A273 HydrophobicContact CD2-CB 4.48Å; Y216-C274 HydrophobicContact CD2-CB 3.84Å; Y216-C274 HydrophobicContact CE2-CB 3.65Å
217D95Very high91.3Very high0 Ų043.9 Ų43.90%023%0.228CC..Hα-helixtrans-63.2-38.3178.8-75.6-33.7000111.9Q90 T102 R213 I214 R220 N221Q90-D217 HydrophobicContact CG-CB 4.03Å; T102-D217 WeakPolarHBondContact CB-OD1 3.4Å; T102-D217 PolarHBondContact N-OD1 2.85Å; T102-D217 PolarHBondContact N-OD2 3.32Å; T102-D217 PolarHBondContact OG1-OD1 3.06Å; R213-D217 IonicContact CZ-OD2 2.7Å; R213-D217 IonicContact NH1-OD2 3.8Å; R213-D217 PolarHBondContact NH1-OD2 3.03Å; R213-D217 PolarHBondContact O-N 2.7Å; I214-D217 PolarHBondContact O-N 3.01Å; D217-R220 PolarHBondContact O-N 3.3Å; D217-R220 IonicContact OD1-CZ 3.37Å; D217-R220 IonicContact OD1-NE 2.68Å; D217-R220 IonicContact OD1-NH1 2.71Å; D217-R220 PolarHBondContact OD1-NH1 3.34Å; D217-R220 IonicContact OD1-NH2 2.73Å; D217-R220 PolarHBondContact OD1-NH2 3.28Å; D217-N221 WeakPolarHBondContact O-CB 3.41Å; D217-N221 VanDerWaalsContact O-CG 3.28Å; D217-N221 PolarHBondContact O-N 3.2Å; D217-N221 PolarHBondContact O-ND2 3.16Å
218A92.5Very high90.2Very high9 Ų945.5 Ų45.57%0.07424%0.239CC..Hα-helixtrans-62.2-46.7175.700000112.4K86 Q90 I214 Q215 Y216 N221 E222K86-A218 HydrophobicContact CB-CB 4.33Å; Q90-A218 HydrophobicContact CB-CB 4.07Å; Q90-A218 HydrophobicContact CG-CB 4.44Å; I214-A218 WeakPolarHBondContact O-CB 3.32Å; I214-A218 PolarHBondContact O-N 3.14Å; Q215-A218 PolarHBondContact O-N 3.39Å; Y216-A218 VanDerWaalsContact C-N 3.33Å; Y216-A218 PolarHBondContact O-N 2.94Å; A218-N221 PolarHBondContact O-N 3.46Å; A218-E222 PolarHBondContact O-N 3.4Å
219Y92.2Very high88.7Confident14 Ų1453.6 Ų53.66%0.05526%0.261CS..Hα-helixtrans-68.4-36.5176.6-65.2-39.4000112.6T83 Q215 Y216 N221 E222 M223 L266 R269 A273T83-Y219 WeakPolarHBondContact CG2-OH 3.29Å; Q215-Y219 WeakPolarHBondContact O-CD2 3.4Å; Q215-Y219 PolarHBondContact O-N 3.01Å; Q215-Y219 VanDerWaalsContact O-N 3.09Å; Y216-Y219 PolarHBondContact O-N 3.45Å; Y219-N221 VanDerWaalsContact C-N 3.34Å; Y219-N221 PolarHBondContact O-N 3.4Å; Y219-E222 PolarHBondContact O-N 2.96Å; Y219-M223 WeakPolarHBondContact O-CB 3.35Å; Y219-M223 PolarHBondContact O-N 3.13Å; Y219-L266 HydrophobicContact CD1-CD1 4.29Å; Y219-R269 HydrophobicContact CD2-CB 4.49Å; Y219-R269 HydrophobicContact CE2-CB 4.43Å; Y219-R269 PolarHBondContact OH-NH2 3.24Å; Y219-A273 HydrophobicContact CD2-CB 3.72Å; Y219-A273 HydrophobicContact CE2-CB 4.09Å
220R92Very high86.5Confident49 Ų4961.9 Ų61.919%0.18530%0.297CS..Hα-helixtrans-61-45.6175.2-175.1-178.171-151.8-7.8110.7S100 T102 Y216 D217 M223 N224 L270S100-R220 PolarHBondContact O-NH2 3.4Å; S100-R220 PolarHBondContact OG-NH2 3.39Å; T102-R220 PolarHBondContact OG1-NH1 2.97Å; Y216-R220 WeakPolarHBondContact O-CB 3.5Å; Y216-R220 PolarHBondContact O-N 2.98Å; D217-R220 PolarHBondContact O-N 3.3Å; D217-R220 IonicContact OD1-CZ 3.37Å; D217-R220 IonicContact OD1-NE 2.68Å; D217-R220 IonicContact OD1-NH1 2.71Å; D217-R220 PolarHBondContact OD1-NH1 3.34Å; D217-R220 IonicContact OD1-NH2 2.73Å; D217-R220 PolarHBondContact OD1-NH2 3.28Å; R220-M223 PolarHBondContact O-N 3.48Å; R220-N224 VanDerWaalsContact O-CG 3.29Å; R220-N224 PolarHBondContact O-N 2.97Å; R220-N224 PolarHBondContact O-ND2 3.28Å; R220-L270 HydrophobicContact CB-CD1 4Å
221N88.5Confident84.3Confident23 Ų2365 Ų6512%0.12332%0.322CS..Hα-helixtrans-68.2-34.5179.6-72.3-17.5000112.2Q90 S100 D217 A218 Y219 N224 Q225Q90-N221 PolarHBondContact OE1-ND2 3.1Å; S100-N221 PolarHBondContact OG-OD1 2.78Å; D217-N221 WeakPolarHBondContact O-CB 3.41Å; D217-N221 VanDerWaalsContact O-CG 3.28Å; D217-N221 PolarHBondContact O-N 3.2Å; D217-N221 PolarHBondContact O-ND2 3.16Å; A218-N221 PolarHBondContact O-N 3.46Å; Y219-N221 VanDerWaalsContact C-N 3.34Å; Y219-N221 PolarHBondContact O-N 3.4Å; N221-N224 PolarHBondContact O-N 2.93Å; N221-Q225 WeakPolarHBondContact O-CG 3.35Å; N221-Q225 PolarHBondContact O-N 3.46Å; N221-Q225 VanDerWaalsContact O-N 3.08Å; N221-Q225 PolarHBondContact O-NE2 2.8Å
222E87.9Confident81.9Confident49 Ų4968.1 Ų68.123%0.22933%0.334CS..Hα-helixtrans-63.6-45.5172-171.9175.2-166.200111.8K86 A218 Y219 N224 Q225 T226 L266K86-E222 WeakPolarHBondContact CE-OE1 3.49Å; K86-E222 WeakPolarHBondContact CE-OE2 3.48Å; K86-E222 IonicContact NZ-OE1 2.63Å; K86-E222 PolarHBondContact NZ-OE1 3.03Å; K86-E222 IonicContact NZ-OE2 3.22Å; K86-E222 PolarHBondContact NZ-OE2 3.37Å; A218-E222 PolarHBondContact O-N 3.4Å; Y219-E222 PolarHBondContact O-N 2.96Å; E222-N224 VanDerWaalsContact C-N 3.28Å; E222-N224 PolarHBondContact O-N 3.43Å; E222-Q225 WeakPolarHBondContact O-CB 3.48Å; E222-Q225 PolarHBondContact O-N 2.86Å; E222-Q225 VanDerWaalsContact O-N 3.11Å; E222-T226 PolarHBondContact O-N 3.22Å; E222-L266 HydrophobicContact CB-CD1 4.37Å; E222-L266 HydrophobicContact CB-CD2 4.22Å; E222-L266 HydrophobicContact CG-CD1 4.11Å; E222-L266 HydrophobicContact CG-CD2 3.77Å; E222-L266 WeakPolarHBondContact OE2-CD1 3.47Å
223M86.6Confident79.5Confident5 Ų574 Ų743%0.02537%0.369CS..Hα-helixtrans-61.9-35.9177.1-177.461.275.800112.3Y219 R220 T226 K227 L266 Q267 L270Y219-M223 WeakPolarHBondContact O-CB 3.35Å; Y219-M223 PolarHBondContact O-N 3.13Å; R220-M223 PolarHBondContact O-N 3.48Å; M223-T226 PolarHBondContact O-OG1 3.37Å; M223-K227 WeakPolarHBondContact O-CG 3.48Å; M223-K227 PolarHBondContact O-N 2.97Å; M223-L266 HydrophobicContact CB-CD2 4.14Å; M223-L266 HydrophobicContact CE-CB 3.93Å; M223-L266 HydrophobicContact CE-CD2 3.94Å; M223-L266 HydrophobicContact CE-CG 3.8Å; M223-L266 HydrophobicContact SD-CD2 4.29Å; M223-Q267 HydrophobicContact CE-CB 3.77Å; M223-L270 HydrophobicContact CB-CD2 4.49Å
224N86.7Confident77Confident82 Ų8279 Ų7944%0.43940%0.398SS..Hα-helixtrans-70.7-33.5175.5-68.9-21.1000112.3R220 N221 E222 S228R220-N224 VanDerWaalsContact O-CG 3.29Å; R220-N224 PolarHBondContact O-N 2.97Å; R220-N224 PolarHBondContact O-ND2 3.28Å; N221-N224 PolarHBondContact O-N 2.93Å; E222-N224 VanDerWaalsContact C-N 3.28Å; E222-N224 PolarHBondContact O-N 3.43Å; N224-S228 PolarHBondContact O-N 3Å; N224-S228 PolarHBondContact O-OG 3.15Å; N224-S228 VanDerWaalsContact O-OG 3.05Å
225Q84.6Confident74.3Confident107 Ų10783.8 Ų83.850%0.542%0.424SS..Hα-helixtrans-70.6-39.5175.4-76.4167.585.700112.4N221 E222 K227 S228 R229N221-Q225 WeakPolarHBondContact O-CG 3.35Å; N221-Q225 PolarHBondContact O-N 3.46Å; N221-Q225 VanDerWaalsContact O-N 3.08Å; N221-Q225 PolarHBondContact O-NE2 2.8Å; E222-Q225 WeakPolarHBondContact O-CB 3.48Å; E222-Q225 PolarHBondContact O-N 2.86Å; E222-Q225 VanDerWaalsContact O-N 3.11Å; Q225-K227 VanDerWaalsContact C-N 3.32Å; Q225-K227 PolarHBondContact O-N 3.49Å; Q225-S228 WeakPolarHBondContact CA-OG 3.28Å; Q225-S228 PolarHBondContact O-N 3.38Å; Q225-S228 PolarHBondContact O-OG 2.99Å; Q225-S228 VanDerWaalsContact O-OG 3.07Å; Q225-R229 PolarHBondContact O-N 2.84Å
226T81.1Confident72Confident70 Ų7089 Ų8943%0.42945%0.453SS..Hα-helixtrans-67.3-33177.157.20000112.2E222 M223 L266E222-T226 PolarHBondContact O-N 3.22Å; M223-T226 PolarHBondContact O-OG1 3.37Å; T226-L266 HydrophobicContact CG2-CD2 4.33Å
227K78.6Confident69.9Low129 Ų12992 Ų9256%0.56148%0.481SS*.Hα-helixtrans-70-36.9175.2-72.8175.3-176.6177.60113.7M223 Q225M223-K227 WeakPolarHBondContact O-CG 3.48Å; M223-K227 PolarHBondContact O-N 2.97Å; Q225-K227 VanDerWaalsContact C-N 3.32Å; Q225-K227 PolarHBondContact O-N 3.49Å
228S73.8Confident67.6Low94 Ų94100.1 Ų100.166%0.65753%0.525SS*.Hα-helixtrans-78.5-18.2-177.649.60000114.3N224 Q225 K230N224-S228 PolarHBondContact O-N 3Å; N224-S228 PolarHBondContact O-OG 3.15Å; N224-S228 VanDerWaalsContact O-OG 3.05Å; Q225-S228 WeakPolarHBondContact CA-OG 3.28Å; Q225-S228 PolarHBondContact O-N 3.38Å; Q225-S228 PolarHBondContact O-OG 2.99Å; Q225-S228 VanDerWaalsContact O-OG 3.07Å; S228-K230 VanDerWaalsContact C-N 3.3Å; S228-K230 PolarHBondContact O-N 3.11Å
229R64.6Low65.4Low225 Ų225105.7 Ų105.785%0.84956%0.558SS**THydrogen-bonded Turntrans-827.8-177.4-158172.3172.5172.6-2.3114.9Q225Q225-R229 PolarHBondContact O-N 2.84Å
230K51.5Low63.4Low176 Ų176111.3 Ų111.377%0.76559%0.593SS**SBendtrans-68.8135.9175.2-75.2-175.2176.7-179.80110.8S228S228-K230 VanDerWaalsContact C-N 3.3Å; S228-K230 PolarHBondContact O-N 3.11Å
231P49.1Very low61Low116 Ų116114.9 Ų114.975%0.75362%0.621SS**  trans-84.2138.9-147.328.6-27.5000114.2V233P231-V233 PolarHBondContact O-N 3.44Å
232N41.5Very low58.9Low124 Ų124119.8 Ų119.866%0.66365%0.654SS**  trans-49.7112.7163.8-171.321.7000111.3N234N232-N234 PolarHBondContact ND2-OD1 2.92Å; N232-N234 PolarHBondContact O-N 3.39Å; N232-N234 PolarHBondContact OD1-OD1 2.89Å
233V46Very low56.9Low126 Ų126123.2 Ų123.276%0.76468%0.679SS**  trans-79.190.3163.3177.90000106.4P231 N235P231-V233 PolarHBondContact O-N 3.44Å; V233-N235 PolarHBondContact O-N 3.27Å
234N42.7Very low54.9Low132 Ų132129 Ų12971%0.70672%0.715SS**  trans-72.3113.9170.4-97.4-3.2000109.3N232N232-N234 PolarHBondContact ND2-OD1 2.92Å; N232-N234 PolarHBondContact O-N 3.39Å; N232-N234 PolarHBondContact OD1-OD1 2.89Å
235N37.2Very low52.9Low132 Ų132130.8 Ų130.871%0.70673%0.728SS**  trans-63.8150.6156-68.2-37.6000109.9V233V233-N235 PolarHBondContact O-N 3.27Å
236N46.1Very low50.8Low160 Ų160131.5 Ų131.586%0.85674%0.74SS**  trans101.3103.2171.2-54.6-10.7000115.9
237S49.1Very low49Very low110 Ų110138 Ų13877%0.76976%0.757SS**  -176.7101.5112.9670000111.2T239S237-T239 PolarHBondContact O-N 2.93Å
238D46.6Very low47.4Very low170 Ų170138.8 Ų138.891%0.90977%0.765SS**  trans-81.298.7150.5-82.1-35000107.3
239T47.4Very low45.4Very low127 Ų127139.6 Ų139.678%0.77977%0.767SS**  trans-152.998.6150.3-39.70000110.1S237S237-T239 PolarHBondContact O-N 2.93Å
240V50.6Low44.3Very low131 Ų131136.6 Ų136.679%0.79476%0.764SS**  trans-0.5110.6152.6-171.20000117.2
241T40.1Very low43.6Very low124 Ų124133 Ų13376%0.76176%0.762SS**  175.5129.512617.90000110
242P44.3Very low43.1Very low127 Ų127131.2 Ų131.283%0.82576%0.764SS**  trans-92117.3173.333-24.7000109.4
243T46.5Very low43.3Very low121 Ų121132.4 Ų132.474%0.74277%0.77SS**  trans-136.1107.5161.2-540000108.5
244T44.7Very low43.3Very low127 Ų127129.5 Ų129.578%0.77976%0.756SS**  trans43.183.7151.1-42.90000117.2
245T45.3Very low43.6Very low119 Ų119131.2 Ų131.273%0.7376%0.757SS**  trans-100106.2156.7-63.70000108.6R247T245-R247 HydrophobicContact CG2-CB 4.06Å; T245-R247 PolarHBondContact O-N 3.1Å
246T39.8Very low44Very low121 Ų121127.9 Ų127.974%0.74275%0.748SS**  trans-6785.4158.9-56.40000107.7I248T246-I248 HydrophobicContact CG2-CG1 4.23Å; T246-I248 PolarHBondContact O-N 2.88Å
247R43.5Very low44Very low207 Ų207123 Ų12378%0.78173%0.73SS**  trans-84.690.7170.7-152.6-177.7-1491746.1106.9T245 T249T245-R247 HydrophobicContact CG2-CB 4.06Å; T245-R247 PolarHBondContact O-N 3.1Å; R247-T249 VanDerWaalsContact C-N 3.26Å; R247-T249 PolarHBondContact O-N 3.22Å; R247-T249 PolarHBondContact O-OG1 2.86Å; R247-T249 VanDerWaalsContact O-OG1 3.12Å
248I44.7Very low44.2Very low145 Ų145122.3 Ų122.374%0.74472%0.718SS**  trans-64101.9162-64.2177.6000105.8T246 M250T246-I248 HydrophobicContact CG2-CG1 4.23Å; T246-I248 PolarHBondContact O-N 2.88Å; I248-M250 HydrophobicContact CG2-CB 4.38Å; I248-M250 HydrophobicContact CG2-CG 3.92Å
249T33Very low44.8Very low112 Ų112117.7 Ų117.769%0.68770%0.699SS**  trans-90.398.9174.7-47.30000104.7R247R247-T249 VanDerWaalsContact C-N 3.26Å; R247-T249 PolarHBondContact O-N 3.22Å; R247-T249 PolarHBondContact O-OG1 2.86Å; R247-T249 VanDerWaalsContact O-OG1 3.12Å
250M41Very low45.6Very low162 Ų162117.3 Ų117.380%0.79869%0.69SS**  trans-133.7115.6171.1-78.9-72.7167.800107.8I248I248-M250 HydrophobicContact CG2-CB 4.38Å; I248-M250 HydrophobicContact CG2-CG 3.92Å
251S35.8Very low46.2Very low101 Ų101117 Ų11771%0.70668%0.68SS**  trans63.976.9168.5-67.70000118.5N253S251-N253 VanDerWaalsContact C-N 3.32Å; S251-N253 PolarHBondContact O-N 3.26Å
252G38.7Very low47.8Very low78 Ų78116.3 Ų116.380%0.80467%0.672SS**THydrogen-bonded Turntrans-78.29.4174.300000117.4
253N45.8Very low49.3Very low149 Ų149112.9 Ų112.980%0.79765%0.651SS**THydrogen-bonded Turntrans-120.1-8.8-177.9-85.938.4000115.9S251S251-N253 VanDerWaalsContact C-N 3.32Å; S251-N253 PolarHBondContact O-N 3.26Å
254S47.3Very low51Low65 Ų65113.3 Ų113.346%0.45564%0.644SS.*Hα-helixtrans-83.5-27.4179.286.20000113.4A256 A257 D258S254-A256 VanDerWaalsContact C-N 3.29Å; S254-A256 PolarHBondContact O-N 3.38Å; S254-A257 PolarHBondContact O-N 3.35Å; S254-A257 VanDerWaalsContact O-N 3.08Å; S254-D258 PolarHBondContact O-N 2.89Å
255F47.8Very low53Low167 Ų167111 Ų11173%0.73263%0.627SS**Hα-helixtrans-66.1-30.9-175-157.4-94.9000113.2S259F255-S259 WeakPolarHBondContact O-CB 3.38Å; F255-S259 PolarHBondContact O-N 3.48Å
256A46.1Very low55Low63 Ų63105.8 Ų105.852%0.52160%0.595SS.*Hα-helixtrans-70.1-38.9173.900000111.6S254 I260S254-A256 VanDerWaalsContact C-N 3.29Å; S254-A256 PolarHBondContact O-N 3.38Å; A256-I260 WeakPolarHBondContact O-CB 3.4Å; A256-I260 VanDerWaalsContact O-CD1 3.27Å; A256-I260 WeakPolarHBondContact O-CD1 3.34Å; A256-I260 WeakPolarHBondContact O-CG1 3.37Å; A256-I260 PolarHBondContact O-N 2.97Å; A256-I260 VanDerWaalsContact O-N 3.09Å
257A45.5Very low57.4Low57 Ų57103.2 Ų103.247%0.47157%0.574SS.*Hα-helixtrans-68.3-43.6179.100000111.9S254 I260 H261S254-A257 PolarHBondContact O-N 3.35Å; S254-A257 VanDerWaalsContact O-N 3.08Å; A257-I260 PolarHBondContact O-N 3.27Å; A257-H261 WeakPolarHBondContact O-CB 3.41Å; A257-H261 PolarHBondContact O-N 3.46Å
258D54.5Low59.7Low96 Ų9696.1 Ų96.151%0.51356%0.557SS.*Hα-helixtrans-64.8-42.7177.7-70.8-24.7000111.7S254 I260 H261 D262S254-D258 PolarHBondContact O-N 2.89Å; D258-I260 VanDerWaalsContact C-N 3.31Å; D258-I260 PolarHBondContact O-N 3.14Å; D258-H261 PolarHBondContact O-N 3.35Å; D258-D262 PolarHBondContact O-N 2.63Å
259S59.6Low61.9Low73 Ų7391.6 Ų91.651%0.5153%0.53SS..Hα-helixtrans-65.3-32.9176.3-178.40000113.1F255 S263F255-S259 WeakPolarHBondContact O-CB 3.38Å; F255-S259 PolarHBondContact O-N 3.48Å; S259-S263 WeakPolarHBondContact O-CB 3.45Å; S259-S263 PolarHBondContact O-N 3.47Å
260I63.5Low64.7Low118 Ų11887.2 Ų87.261%0.60550%0.502SS*.Hα-helixtrans-72.7-41.4175.7-69.2164.6000110A256 A257 D258 S263 H264A256-I260 WeakPolarHBondContact O-CB 3.4Å; A256-I260 VanDerWaalsContact O-CD1 3.27Å; A256-I260 WeakPolarHBondContact O-CD1 3.34Å; A256-I260 WeakPolarHBondContact O-CG1 3.37Å; A256-I260 PolarHBondContact O-N 2.97Å; A256-I260 VanDerWaalsContact O-N 3.09Å; A257-I260 PolarHBondContact O-N 3.27Å; D258-I260 VanDerWaalsContact C-N 3.31Å; D258-I260 PolarHBondContact O-N 3.14Å; I260-S263 PolarHBondContact O-N 3.07Å; I260-H264 WeakPolarHBondContact O-CB 3.48Å; I260-H264 PolarHBondContact O-N 3.08Å
261H63Low67.3Low125 Ų12583.6 Ų83.658%0.57949%0.486SS*.Hα-helixtrans-62-45.5177.9-170.273.8000111.9A257 D258 S263 H264 N265A257-H261 WeakPolarHBondContact O-CB 3.41Å; A257-H261 PolarHBondContact O-N 3.46Å; D258-H261 PolarHBondContact O-N 3.35Å; H261-S263 PolarHBondContact O-N 3.09Å; H261-H264 PolarHBondContact O-N 3.35Å; H261-N265 WeakPolarHBondContact O-CB 3.28Å; H261-N265 PolarHBondContact O-N 3.44Å
262D72.7Confident70.1Confident109 Ų10981.5 Ų81.558%0.58348%0.475SS*.Hα-helixtrans-64.2-41.1177-76.4-15.8000112.2D258 N265 L266D258-D262 PolarHBondContact O-N 2.63Å; D262-N265 PolarHBondContact O-N 2.92Å; D262-L266 WeakPolarHBondContact O-CB 3.47Å; D262-L266 PolarHBondContact O-N 3.24Å
263S77.4Confident72.7Confident56 Ų5678.2 Ų78.239%0.39244%0.44SS..Hα-helixtrans-66.8-39.3177.3-171.20000112.1S259 I260 H261 Q267S259-S263 WeakPolarHBondContact O-CB 3.45Å; S259-S263 PolarHBondContact O-N 3.47Å; I260-S263 PolarHBondContact O-N 3.07Å; H261-S263 PolarHBondContact O-N 3.09Å; S263-Q267 PolarHBondContact O-N 3.39Å
264H81.2Confident75.1Confident129 Ų12973.5 Ų73.560%0.59742%0.418SS*.Hα-helixtrans-67.6-44176.3-176.3-85.7000111.1I260 H261 L266 Q267 S268I260-H264 WeakPolarHBondContact O-CB 3.48Å; I260-H264 PolarHBondContact O-N 3.08Å; H261-H264 PolarHBondContact O-N 3.35Å; H264-L266 VanDerWaalsContact C-N 3.33Å; H264-L266 PolarHBondContact O-N 3.39Å; H264-Q267 PolarHBondContact O-N 2.91Å; H264-S268 PolarHBondContact O-N 3.2Å; H264-S268 PolarHBondContact O-OG 2.71Å
265N86.8Confident77.4Confident79 Ų7976.1 Ų76.142%0.42242%0.423SS..Hα-helixtrans-58.7-44.7175.7-174.5-86.9000111.9H261 D262 Q267 S268 R269H261-N265 WeakPolarHBondContact O-CB 3.28Å; H261-N265 PolarHBondContact O-N 3.44Å; D262-N265 PolarHBondContact O-N 2.92Å; N265-Q267 VanDerWaalsContact C-N 3.34Å; N265-Q267 PolarHBondContact O-N 3.38Å; N265-S268 PolarHBondContact O-N 3.33Å; N265-R269 WeakPolarHBondContact O-CG 3.27Å; N265-R269 PolarHBondContact O-N 3.04Å; N265-R269 VanDerWaalsContact OD1-CD 3.3Å; N265-R269 WeakPolarHBondContact OD1-CD 3.35Å
266L86.7Confident79.7Confident10 Ų1075 Ų755%0.05241%0.414CS..Hα-helixtrans-64.7-38178-173.164.1000112.1Y219 E222 M223 T226 D262 H264 R269 L270Y219-L266 HydrophobicContact CD1-CD1 4.29Å; E222-L266 HydrophobicContact CB-CD1 4.37Å; E222-L266 HydrophobicContact CB-CD2 4.22Å; E222-L266 HydrophobicContact CG-CD1 4.11Å; E222-L266 HydrophobicContact CG-CD2 3.77Å; E222-L266 WeakPolarHBondContact OE2-CD1 3.47Å; M223-L266 HydrophobicContact CB-CD2 4.14Å; M223-L266 HydrophobicContact CE-CB 3.93Å; M223-L266 HydrophobicContact CE-CD2 3.94Å; M223-L266 HydrophobicContact CE-CG 3.8Å; M223-L266 HydrophobicContact SD-CD2 4.29Å; T226-L266 HydrophobicContact CG2-CD2 4.33Å; D262-L266 WeakPolarHBondContact O-CB 3.47Å; D262-L266 PolarHBondContact O-N 3.24Å; H264-L266 VanDerWaalsContact C-N 3.33Å; H264-L266 PolarHBondContact O-N 3.39Å; L266-R269 PolarHBondContact O-N 3.14Å; L266-L270 WeakPolarHBondContact O-CB 3.49Å; L266-L270 PolarHBondContact O-N 3.28Å
267Q90.8Very high82.1Confident67 Ų6773.1 Ų73.131%0.31339%0.394SS..Hα-helixtrans-63.9-47.9175.6-174.559.855.800111.2M223 S263 H264 N265 R269 L270 D271M223-Q267 HydrophobicContact CE-CB 3.77Å; S263-Q267 PolarHBondContact O-N 3.39Å; H264-Q267 PolarHBondContact O-N 2.91Å; N265-Q267 VanDerWaalsContact C-N 3.34Å; N265-Q267 PolarHBondContact O-N 3.38Å; Q267-R269 VanDerWaalsContact C-N 3.27Å; Q267-R269 PolarHBondContact O-N 2.92Å; Q267-L270 WeakPolarHBondContact O-CB 3.47Å; Q267-L270 PolarHBondContact O-N 2.84Å; Q267-L270 VanDerWaalsContact O-N 3.09Å; Q267-D271 PolarHBondContact NE2-OD1 3.3Å; Q267-D271 PolarHBondContact NE2-OD2 2.91Å; Q267-D271 VanDerWaalsContact O-CG 3.29Å; Q267-D271 PolarHBondContact O-N 3.37Å
268S91.4Very high84.5Confident58 Ų5872.6 Ų72.641%0.40639%0.387SS..Hα-helixtrans-59.3-37.3176.4-56.40000112.6H264 N265 D271 A272H264-S268 PolarHBondContact O-N 3.2Å; H264-S268 PolarHBondContact O-OG 2.71Å; N265-S268 PolarHBondContact O-N 3.33Å; S268-D271 PolarHBondContact O-N 2.73Å; S268-A272 WeakPolarHBondContact O-CB 3.47Å; S268-A272 PolarHBondContact O-N 2.68Å
269R91.2Very high86.5Confident50 Ų5073.4 Ų73.419%0.18939%0.387CS..Hα-helixtrans-67.6-38.9175.1-71.8172.467.6171.88.1112.6H79 T83 Y219 N265 L266 Q267 A273H79-R269 PolarHBondContact CE1-NH2 2.93Å; T83-R269 PolarHBondContact OG1-NH2 3.32Å; Y219-R269 HydrophobicContact CD2-CB 4.49Å; Y219-R269 HydrophobicContact CE2-CB 4.43Å; Y219-R269 PolarHBondContact OH-NH2 3.24Å; N265-R269 WeakPolarHBondContact O-CG 3.27Å; N265-R269 PolarHBondContact O-N 3.04Å; N265-R269 VanDerWaalsContact OD1-CD 3.3Å; N265-R269 WeakPolarHBondContact OD1-CD 3.35Å; L266-R269 PolarHBondContact O-N 3.14Å; Q267-R269 VanDerWaalsContact C-N 3.27Å; Q267-R269 PolarHBondContact O-N 2.92Å; R269-A273 VanDerWaalsContact O-CB 3.32Å; R269-A273 WeakPolarHBondContact O-CB 3.49Å; R269-A273 PolarHBondContact O-N 3.39Å
270L92.9Very high88.3Confident19 Ų1971.6 Ų71.610%0.09937%0.372CS..Hα-helixtrans-63.7-44.7175.5179.562.6000110.9Y216 R220 M223 L266 Q267 A273 C274Y216-L270 HydrophobicContact CD2-CD1 3.69Å; Y216-L270 HydrophobicContact CE2-CD1 3.57Å; Y216-L270 HydrophobicContact CE2-CG 4.36Å; R220-L270 HydrophobicContact CB-CD1 4Å; M223-L270 HydrophobicContact CB-CD2 4.49Å; L266-L270 WeakPolarHBondContact O-CB 3.49Å; L266-L270 PolarHBondContact O-N 3.28Å; Q267-L270 WeakPolarHBondContact O-CB 3.47Å; Q267-L270 PolarHBondContact O-N 2.84Å; Q267-L270 VanDerWaalsContact O-N 3.09Å; L270-A273 PolarHBondContact O-N 2.95Å; L270-C274 VanDerWaalsContact O-CB 3.3Å; L270-C274 WeakPolarHBondContact O-CB 3.5Å; L270-C274 PolarHBondContact O-N 2.94Å
271D94.1Very high89.9Confident87 Ų8770.1 Ų70.147%0.46536%0.359SS..Hα-helixtrans-63.5-45.2178.6-63.6-26.4000110.9Q267 S268 A273 C274 E275Q267-D271 PolarHBondContact NE2-OD1 3.3Å; Q267-D271 PolarHBondContact NE2-OD2 2.91Å; Q267-D271 VanDerWaalsContact O-CG 3.29Å; Q267-D271 PolarHBondContact O-N 3.37Å; S268-D271 PolarHBondContact O-N 2.73Å; D271-A273 PolarHBondContact O-N 3.35Å; D271-C274 WeakPolarHBondContact O-CB 3.44Å; D271-C274 PolarHBondContact O-N 3.43Å; D271-E275 PolarHBondContact O-N 3.43Å
272A94.8Very high91.5Very high57 Ų5770.8 Ų70.847%0.47136%0.36SS..Hα-helixtrans-62.3-40.117500000112.8S268 R276S268-A272 WeakPolarHBondContact O-CB 3.47Å; S268-A272 PolarHBondContact O-N 2.68Å; A272-R276 WeakPolarHBondContact O-CB 3.38Å; A272-R276 PolarHBondContact O-N 3.39Å
273A93.9Very high92.7Very high8 Ų867.5 Ų67.57%0.06635%0.348CS..Hα-helixtrans-68.2-38.317600000112.1Y216 Y219 R269 L270 D271 R276 Y277Y216-A273 HydrophobicContact CD2-CB 4.48Å; Y219-A273 HydrophobicContact CD2-CB 3.72Å; Y219-A273 HydrophobicContact CE2-CB 4.09Å; R269-A273 VanDerWaalsContact O-CB 3.32Å; R269-A273 WeakPolarHBondContact O-CB 3.49Å; R269-A273 PolarHBondContact O-N 3.39Å; L270-A273 PolarHBondContact O-N 2.95Å; D271-A273 PolarHBondContact O-N 3.35Å; A273-R276 PolarHBondContact O-N 3.38Å; A273-Y277 WeakPolarHBondContact O-CB 3.37Å; A273-Y277 PolarHBondContact O-N 3.42Å
274C95.1Very high93.6Very high51 Ų5164.8 Ų64.835%0.34533%0.329SS..Hα-helixtrans-61.9-48.4175-173.80000111Y216 L270 D271 Y277 S278Y216-C274 HydrophobicContact CD2-CB 3.84Å; Y216-C274 HydrophobicContact CE2-CB 3.65Å; L270-C274 VanDerWaalsContact O-CB 3.3Å; L270-C274 WeakPolarHBondContact O-CB 3.5Å; L270-C274 PolarHBondContact O-N 2.94Å; D271-C274 WeakPolarHBondContact O-CB 3.44Å; D271-C274 PolarHBondContact O-N 3.43Å; C274-Y277 PolarHBondContact O-N 3.01Å; C274-S278 WeakPolarHBondContact O-CB 3.44Å; C274-S278 PolarHBondContact O-N 2.67Å
275E96.6Very high94.4Very high119 Ų11960.6 Ų60.656%0.55631%0.311SS*.Hα-helixtrans-60.7-48.2177.3-175178.3-174.900111.1D271 Y277 S278 Q279D271-E275 PolarHBondContact O-N 3.43Å; E275-Y277 PolarHBondContact O-N 3.33Å; E275-S278 WeakPolarHBondContact O-CB 3.18Å; E275-S278 PolarHBondContact O-N 2.63Å; E275-S278 VanDerWaalsContact O-N 3.16Å; E275-Q279 HydrophobicContact CG-CG 4.36Å; E275-Q279 WeakPolarHBondContact O-CG 3.12Å; E275-Q279 PolarHBondContact O-N 2.69Å; E275-Q279 PolarHBondContact OE1-NE2 2.85Å
276R95.9Very high94.9Very high143 Ų14359.4 Ų59.454%0.5431%0.308SS..Hα-helixtrans-58.8-44.8177.9-175.2176.7-175.7143.42.8112.3A212 A272 A273 L280A212-R276 HydrophobicContact CB-CG 4.34Å; A272-R276 WeakPolarHBondContact O-CB 3.38Å; A272-R276 PolarHBondContact O-N 3.39Å; A273-R276 PolarHBondContact O-N 3.38Å; R276-L280 HydrophobicContact CG-CD1 4.04Å; R276-L280 WeakPolarHBondContact O-CB 3.38Å; R276-L280 WeakPolarHBondContact O-CG 3.25Å; R276-L280 PolarHBondContact O-N 3.42Å
277Y96.3Very high95.4Very high24 Ų2461.4 Ų61.49%0.09432%0.316CS..Hα-helixtrans-61.5-45.8175.3169.6-112.2000111.3T102 M209 R213 A273 C274 E275 Q279 L280 R281T102-Y277 HydrophobicContact CG2-CE1 3.75Å; M209-Y277 HydrophobicContact CG-CD2 4.26Å; M209-Y277 HydrophobicContact CG-CE2 4.15Å; R213-Y277 HydrophobicContact CB-CD2 3.78Å; R213-Y277 HydrophobicContact CB-CE2 3.71Å; R213-Y277 HydrophobicContact CG-CD2 4.41Å; R213-Y277 HydrophobicContact CG-CE2 4Å; A273-Y277 WeakPolarHBondContact O-CB 3.37Å; A273-Y277 PolarHBondContact O-N 3.42Å; C274-Y277 PolarHBondContact O-N 3.01Å; E275-Y277 PolarHBondContact O-N 3.33Å; Y277-Q279 PolarHBondContact O-N 2.92Å; Y277-L280 PolarHBondContact O-N 3.15Å; Y277-R281 VanDerWaalsContact O-CB 3.28Å; Y277-R281 WeakPolarHBondContact O-CB 3.3Å; Y277-R281 PolarHBondContact O-N 3Å
278S95.7Very high95.7Very high47 Ų4758.9 Ų58.933%0.32931%0.305SS..Hα-helixtrans-62-42178.8-173.90000112.8C274 E275 R281 K282C274-S278 WeakPolarHBondContact O-CB 3.44Å; C274-S278 PolarHBondContact O-N 2.67Å; E275-S278 WeakPolarHBondContact O-CB 3.18Å; E275-S278 PolarHBondContact O-N 2.63Å; E275-S278 VanDerWaalsContact O-N 3.16Å; S278-R281 PolarHBondContact O-N 3.21Å; S278-K282 WeakPolarHBondContact O-CG 3.4Å; S278-K282 PolarHBondContact O-N 3.09Å
279Q97Very high96Very high112 Ų11260.9 Ų60.952%0.52331%0.308SS..Hα-helixtrans-64-47.4175.3-70.3176.46.600111.6E275 Y277 R281 K282 A283E275-Q279 HydrophobicContact CG-CG 4.36Å; E275-Q279 WeakPolarHBondContact O-CG 3.12Å; E275-Q279 PolarHBondContact O-N 2.69Å; E275-Q279 PolarHBondContact OE1-NE2 2.85Å; Y277-Q279 PolarHBondContact O-N 2.92Å; Q279-R281 VanDerWaalsContact C-N 3.33Å; Q279-R281 PolarHBondContact O-N 2.94Å; Q279-K282 PolarHBondContact O-N 2.94Å; Q279-A283 PolarHBondContact O-N 3.49Å
280L97.1Very high96.2Very high35 Ų3564.8 Ų64.818%0.18333%0.326CS..Hα-helixtrans-65.5-35.9178.1-78.1165.6000112.4M209 A212 R276 Y277 A283 V284M209-L280 HydrophobicContact CB-CB 3.9Å; M209-L280 HydrophobicContact CG-CB 4.06Å; A212-L280 HydrophobicContact CB-CD1 3.62Å; R276-L280 HydrophobicContact CG-CD1 4.04Å; R276-L280 WeakPolarHBondContact O-CB 3.38Å; R276-L280 WeakPolarHBondContact O-CG 3.25Å; R276-L280 PolarHBondContact O-N 3.42Å; Y277-L280 PolarHBondContact O-N 3.15Å; L280-A283 WeakPolarHBondContact O-CB 3.48Å; L280-A283 PolarHBondContact O-N 3.09Å; L280-V284 WeakPolarHBondContact O-CG2 3.39Å; L280-V284 PolarHBondContact O-N 2.9Å
281R96.6Very high96.4Very high87 Ų8764.2 Ų64.233%0.32832%0.324SS..Hα-helixtrans-57.5-48.7173.6-177.8-175.8168.4-119-3111.2D104 L107 M209 Y277 S278 Q279 A283 V284 L285D104-R281 IonicContact OD2-CZ 3.09Å; D104-R281 IonicContact OD2-NE 3.5Å; D104-R281 PolarHBondContact OD2-NE 3.41Å; D104-R281 IonicContact OD2-NH2 2.68Å; D104-R281 PolarHBondContact OD2-NH2 3.35Å; L107-R281 HydrophobicContact CD2-CG 3.66Å; M209-R281 HydrophobicContact SD-CB 4.47Å; Y277-R281 VanDerWaalsContact O-CB 3.28Å; Y277-R281 WeakPolarHBondContact O-CB 3.3Å; Y277-R281 PolarHBondContact O-N 3Å; S278-R281 PolarHBondContact O-N 3.21Å; Q279-R281 VanDerWaalsContact C-N 3.33Å; Q279-R281 PolarHBondContact O-N 2.94Å; R281-A283 VanDerWaalsContact C-N 3.35Å; R281-A283 PolarHBondContact O-N 2.94Å; R281-V284 PolarHBondContact O-N 2.91Å; R281-L285 WeakPolarHBondContact O-CG 3.36Å; R281-L285 PolarHBondContact O-N 3.37Å; R281-L285 VanDerWaalsContact O-N 3.15Å
282K96.7Very high96.5Very high140 Ų14065 Ų6561%0.60933%0.325SS*.Hα-helixtrans-61.5-42.7175.1-68.3176.3-176.8-179.60111.8S278 Q279 V284 L285 C286S278-K282 WeakPolarHBondContact O-CG 3.4Å; S278-K282 PolarHBondContact O-N 3.09Å; Q279-K282 PolarHBondContact O-N 2.94Å; K282-V284 PolarHBondContact O-N 3.16Å; K282-L285 PolarHBondContact O-N 3.4Å; K282-C286 WeakPolarHBondContact O-CB 3.48Å; K282-C286 PolarHBondContact O-N 3.18Å; K282-C286 VanDerWaalsContact O-N 3.09Å
283A97.5Very high96.6Very high39 Ų3967.4 Ų67.432%0.32233%0.326SS..Hα-helixtrans-62.1-41.2177.800000112.5T205 Q279 L280 R281 C286 K287T205-A283 HydrophobicContact CG2-CB 4.15Å; Q279-A283 PolarHBondContact O-N 3.49Å; L280-A283 WeakPolarHBondContact O-CB 3.48Å; L280-A283 PolarHBondContact O-N 3.09Å; R281-A283 VanDerWaalsContact C-N 3.35Å; R281-A283 PolarHBondContact O-N 2.94Å; A283-C286 PolarHBondContact O-N 3.3Å; A283-K287 WeakPolarHBondContact O-CB 3.41Å; A283-K287 WeakPolarHBondContact O-CG 3.5Å; A283-K287 PolarHBondContact O-N 3.44Å
284V97.8Very high96.6Very high0 Ų070 Ų700%034%0.339CS..Hα-helixtrans-62.7-47.8176.1170.60000111.2L107 I111 T205 V206 M209 L280 R281 K282 C286 K287 L288L107-V284 HydrophobicContact CD1-CG1 3.89Å; I111-V284 HydrophobicContact CD1-CG1 4.48Å; I111-V284 HydrophobicContact CG1-CG1 4.49Å; T205-V284 HydrophobicContact CG2-CG2 3.85Å; V206-V284 HydrophobicContact CG2-CG1 3.78Å; V206-V284 HydrophobicContact CG2-CG2 4.2Å; M209-V284 HydrophobicContact CB-CG2 3.77Å; M209-V284 HydrophobicContact CG-CG2 4.22Å; M209-V284 HydrophobicContact SD-CB 4.17Å; M209-V284 HydrophobicContact SD-CG1 4.49Å; M209-V284 HydrophobicContact SD-CG2 3.82Å; L280-V284 WeakPolarHBondContact O-CG2 3.39Å; L280-V284 PolarHBondContact O-N 2.9Å; R281-V284 PolarHBondContact O-N 2.91Å; K282-V284 PolarHBondContact O-N 3.16Å; V284-C286 VanDerWaalsContact C-N 3.3Å; V284-C286 PolarHBondContact O-N 3.47Å; V284-K287 PolarHBondContact O-N 2.83Å; V284-L288 HydrophobicContact CG1-CD1 3.8Å; V284-L288 HydrophobicContact CG1-CG 4.15Å; V284-L288 WeakPolarHBondContact O-CB 3.48Å; V284-L288 VanDerWaalsContact O-CG 3.27Å; V284-L288 WeakPolarHBondContact O-CG 3.47Å; V284-L288 PolarHBondContact O-N 3.34Å
285L96.9Very high96.7Very high40 Ų4069.7 Ų69.721%0.20933%0.33CS..Hα-helixtrans-56-48178.5-71.6167.5000111.3L107 R110 R281 K282 L288 E289L107-L285 HydrophobicContact CD1-CD2 3.75Å; L107-L285 HydrophobicContact CD1-CG 4.18Å; R110-L285 PolarHBondContact NH2-O 3.02Å; R281-L285 WeakPolarHBondContact O-CG 3.36Å; R281-L285 PolarHBondContact O-N 3.37Å; R281-L285 VanDerWaalsContact O-N 3.15Å; K282-L285 PolarHBondContact O-N 3.4Å; L285-L288 PolarHBondContact O-N 3.38Å; L285-E289 PolarHBondContact O-N 3.49Å; L285-E289 VanDerWaalsContact O-N 3.14Å
286C97.2Very high96.7Very high55 Ų5568.2 Ų68.237%0.37233%0.326SS..Hα-helixtrans-61.8-46.7178-174.10000112.3K282 A283 V284 L288 E289 F290K282-C286 WeakPolarHBondContact O-CB 3.48Å; K282-C286 PolarHBondContact O-N 3.18Å; K282-C286 VanDerWaalsContact O-N 3.09Å; A283-C286 PolarHBondContact O-N 3.3Å; V284-C286 VanDerWaalsContact C-N 3.3Å; V284-C286 PolarHBondContact O-N 3.47Å; C286-L288 PolarHBondContact O-N 3.15Å; C286-E289 PolarHBondContact O-N 3Å; C286-F290 VanDerWaalsContact O-CD2 3.3Å; C286-F290 WeakPolarHBondContact O-CD2 3.24Å; C286-F290 PolarHBondContact O-N 2.99Å; C286-F290 VanDerWaalsContact SG-CD2 3.6Å; C286-F290 WeakPolarHBondContact SG-CE2 3.36Å
287K97.1Very high96.8Very high51 Ų5168.5 Ų68.522%0.22233%0.327CS..Hα-helixtrans-64.2-37.9176.8-77.2-157.2178.9-165.10113D201 T202 T205 A283 V284 E289 F290 L291D201-K287 PolarHBondContact O-NZ 3.45Å; D201-K287 IonicContact OD1-NZ 2.69Å; D201-K287 PolarHBondContact OD1-NZ 3.47Å; D201-K287 WeakPolarHBondContact OD2-CE 3.39Å; D201-K287 IonicContact OD2-NZ 3.77Å; D201-K287 PolarHBondContact OD2-NZ 3.21Å; T202-K287 HydrophobicContact CG2-CB 4.21Å; T205-K287 HydrophobicContact CG2-CD 4.14Å; T205-K287 VanDerWaalsContact OG1-CD 3.32Å; T205-K287 WeakPolarHBondContact OG1-CD 3.47Å; T205-K287 WeakPolarHBondContact OG1-CE 3.45Å; T205-K287 PolarHBondContact OG1-NZ 3.43Å; A283-K287 WeakPolarHBondContact O-CB 3.41Å; A283-K287 WeakPolarHBondContact O-CG 3.5Å; A283-K287 PolarHBondContact O-N 3.44Å; V284-K287 PolarHBondContact O-N 2.83Å; K287-E289 VanDerWaalsContact C-N 3.31Å; K287-E289 PolarHBondContact O-N 3.29Å; K287-F290 PolarHBondContact O-N 3.48Å; K287-L291 WeakPolarHBondContact O-CB 3.33Å; K287-L291 PolarHBondContact O-N 3.01Å
288L97.9Very high96.8Very high14 Ų1469.3 Ų69.37%0.07333%0.334CS..Hα-helixtrans-62.7-39.7176.2-71.9173.7000111.5L107 R110 I111 F114 T202 V284 L285 C286 Q292L107-L288 HydrophobicContact CD1-CD1 4.28Å; R110-L288 HydrophobicContact CB-CD1 4.11Å; I111-L288 HydrophobicContact CG1-CD1 4.45Å; F114-L288 HydrophobicContact CB-CD2 3.78Å; F114-L288 HydrophobicContact CD1-CD2 3.96Å; F114-L288 HydrophobicContact CD2-CD2 3.97Å; F114-L288 HydrophobicContact CG-CD2 3.63Å; T202-L288 HydrophobicContact CG2-CD2 3.84Å; T202-L288 HydrophobicContact CG2-CG 4.44Å; V284-L288 HydrophobicContact CG1-CD1 3.8Å; V284-L288 HydrophobicContact CG1-CG 4.15Å; V284-L288 WeakPolarHBondContact O-CB 3.48Å; V284-L288 VanDerWaalsContact O-CG 3.27Å; V284-L288 WeakPolarHBondContact O-CG 3.47Å; V284-L288 PolarHBondContact O-N 3.34Å; L285-L288 PolarHBondContact O-N 3.38Å; C286-L288 PolarHBondContact O-N 3.15Å; L288-Q292 WeakPolarHBondContact O-CB 3.41Å; L288-Q292 PolarHBondContact O-N 2.93Å
289E96.6Very high96.9Very high101 Ų10167.6 Ų67.647%0.47232%0.321SS..Hα-helixtrans-66.1-50174.4-85.9151.8-141.500112.4R110 L285 C286 K287 L291 Q292 E293R110-E289 IonicContact CZ-OE1 3.72Å; R110-E289 IonicContact NH1-OE1 3.51Å; R110-E289 PolarHBondContact NH1-OE1 3.01Å; R110-E289 VanDerWaalsContact NH1-OE1 3.09Å; R110-E289 IonicContact NH2-OE1 4Å; R110-E289 PolarHBondContact NH2-OE1 2.86Å; L285-E289 PolarHBondContact O-N 3.49Å; L285-E289 VanDerWaalsContact O-N 3.14Å; C286-E289 PolarHBondContact O-N 3Å; K287-E289 VanDerWaalsContact C-N 3.31Å; K287-E289 PolarHBondContact O-N 3.29Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 2.87Å; E289-Q292 WeakPolarHBondContact O-CB 3.48Å; E289-Q292 PolarHBondContact O-N 3.41Å; E289-Q292 VanDerWaalsContact O-N 3.15Å; E289-E293 PolarHBondContact O-N 3.17Å
290F96.4Very high96.9Very high131 Ų13171.8 Ų71.858%0.57533%0.332SS*.Hα-helixtrans-61.6-40.8177.3-75.5-50.3000112.7C286 K287 Q292 E293 N294C286-F290 VanDerWaalsContact O-CD2 3.3Å; C286-F290 WeakPolarHBondContact O-CD2 3.24Å; C286-F290 PolarHBondContact O-N 2.99Å; C286-F290 VanDerWaalsContact SG-CD2 3.6Å; C286-F290 WeakPolarHBondContact SG-CE2 3.36Å; K287-F290 PolarHBondContact O-N 3.48Å; F290-Q292 VanDerWaalsContact C-N 3.33Å; F290-E293 PolarHBondContact O-N 3.23Å; F290-N294 VanDerWaalsContact O-CB 3.28Å; F290-N294 WeakPolarHBondContact O-CB 3.47Å; F290-N294 PolarHBondContact O-N 3.04Å
291L96.9Very high96.9Very high8 Ų875.6 Ų75.64%0.04235%0.349CS..Hα-helixtrans-63.2-42.4175.3179.268.2000110.8F114 M117 A198 F199 T202 K287 E289 E293 N294 R295F114-L291 HydrophobicContact CD2-CD2 3.78Å; F114-L291 HydrophobicContact CE2-CD2 3.28Å; F114-L291 HydrophobicContact CZ-CD2 4.26Å; M117-L291 HydrophobicContact CE-CD2 4.36Å; A198-L291 HydrophobicContact CB-CD1 3.7Å; F199-L291 HydrophobicContact CD1-CD2 4.17Å; F199-L291 HydrophobicContact CE1-CD2 4.32Å; F199-L291 HydrophobicContact CG-CD2 4.45Å; T202-L291 HydrophobicContact CG2-CD2 4.1Å; K287-L291 WeakPolarHBondContact O-CB 3.33Å; K287-L291 PolarHBondContact O-N 3.01Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 2.87Å; L291-E293 VanDerWaalsContact C-N 3.34Å; L291-E293 PolarHBondContact O-N 3.34Å; L291-N294 PolarHBondContact O-N 3.08Å; L291-R295 WeakPolarHBondContact O-CB 3.3Å; L291-R295 PolarHBondContact O-N 2.95Å
292Q96.5Very high97Very high104 Ų10472.2 Ų72.249%0.48634%0.337SS..Hα-helixtrans-58.8-47.5177.5175174.4-15.600111L288 E289 F290 L296L288-Q292 WeakPolarHBondContact O-CB 3.41Å; L288-Q292 PolarHBondContact O-N 2.93Å; E289-Q292 WeakPolarHBondContact O-CB 3.48Å; E289-Q292 PolarHBondContact O-N 3.41Å; E289-Q292 VanDerWaalsContact O-N 3.15Å; F290-Q292 VanDerWaalsContact C-N 3.33Å; Q292-L296 HydrophobicContact CG-CD1 4.06Å; Q292-L296 WeakPolarHBondContact O-CB 3.32Å; Q292-L296 VanDerWaalsContact O-CG 3.22Å; Q292-L296 WeakPolarHBondContact O-CG 3.33Å; Q292-L296 PolarHBondContact O-N 3.23Å
293E96Very high97Very high106 Ų10669.6 Ų69.650%0.49533%0.329SS..Hα-helixtrans-63.4-49.6178.2-168.6-172.6161.600112E289 F290 L291 R295 L296 R297E289-E293 PolarHBondContact O-N 3.17Å; F290-E293 PolarHBondContact O-N 3.23Å; L291-E293 VanDerWaalsContact C-N 3.34Å; L291-E293 PolarHBondContact O-N 3.34Å; E293-R295 PolarHBondContact O-N 3.49Å; E293-L296 PolarHBondContact O-N 2.99Å; E293-R297 WeakPolarHBondContact O-CB 3.38Å; E293-R297 PolarHBondContact O-N 2.86Å; E293-R297 IonicContact OE1-CZ 3.78Å; E293-R297 IonicContact OE1-NH2 2.74Å; E293-R297 PolarHBondContact OE1-NH2 3.28Å
294N95Very high97Very high63 Ų6371 Ų7134%0.33733%0.334SS..Hα-helixtrans-57.7-50.8178.3176.8-75000111.3F290 L291 L296 R297 V298F290-N294 VanDerWaalsContact O-CB 3.28Å; F290-N294 WeakPolarHBondContact O-CB 3.47Å; F290-N294 PolarHBondContact O-N 3.04Å; L291-N294 PolarHBondContact O-N 3.08Å; N294-L296 PolarHBondContact O-N 3.45Å; N294-R297 WeakPolarHBondContact O-CB 3.28Å; N294-R297 PolarHBondContact O-N 3.44Å; N294-V298 WeakPolarHBondContact O-CG2 3.47Å; N294-V298 PolarHBondContact O-N 3.28Å
295R97.1Very high97Very high44 Ų4474.5 Ų74.517%0.16635%0.352CS..Hα-helixtrans-57.1-49178.9178.1-166.671.5119.6-4.6111.3M117 Y121 L194 L291 E293 R297 V298 M299M117-R295 WeakPolarHBondContact SD-CD 3.33Å; M117-R295 PolarHBondContact SD-NE 3.5Å; M117-R295 PolarHBondContact SD-NH1 2.8Å; Y121-R295 HydrophobicContact CE1-CG 3.95Å; Y121-R295 WeakPolarHBondContact OH-CD 3.49Å; Y121-R295 WeakPolarHBondContact OH-CG 3.32Å; Y121-R295 PolarHBondContact OH-NH1 2.53Å; Y121-R295 VanDerWaalsContact OH-NH1 3.13Å; L194-R295 HydrophobicContact CD1-CB 4.43Å; L194-R295 HydrophobicContact CD2-CG 4.22Å; L291-R295 WeakPolarHBondContact O-CB 3.3Å; L291-R295 PolarHBondContact O-N 2.95Å; E293-R295 PolarHBondContact O-N 3.49Å; R295-R297 VanDerWaalsContact C-N 3.32Å; R295-R297 PolarHBondContact O-N 3.39Å; R295-V298 PolarHBondContact O-N 2.8Å; R295-M299 HydrophobicContact CG-CG 4.28Å; R295-M299 VanDerWaalsContact O-CB 3.26Å; R295-M299 WeakPolarHBondContact O-CB 3.49Å; R295-M299 VanDerWaalsContact O-CG 3.27Å; R295-M299 WeakPolarHBondContact O-CG 3.4Å; R295-M299 PolarHBondContact O-N 3.22Å
296L97.4Very high96.9Very high89 Ų8974.4 Ų74.447%0.46635%0.351SS..Hα-helixtrans-61.8-41.9-179.7-74.2174.7000111.3Q292 E293 N294 R300Q292-L296 HydrophobicContact CG-CD1 4.06Å; Q292-L296 WeakPolarHBondContact O-CB 3.32Å; Q292-L296 VanDerWaalsContact O-CG 3.22Å; Q292-L296 WeakPolarHBondContact O-CG 3.33Å; Q292-L296 PolarHBondContact O-N 3.23Å; E293-L296 PolarHBondContact O-N 2.99Å; N294-L296 PolarHBondContact O-N 3.45Å; L296-R300 WeakPolarHBondContact O-CB 3.35Å; L296-R300 PolarHBondContact O-N 2.91Å
297R97Very high96.9Very high149 Ų14977.7 Ų77.756%0.56236%0.361SS*.Hα-helixtrans-60.8-52.8176.9-172-173.9-59.1142.21.2111.7E293 N294 R295 H301E293-R297 WeakPolarHBondContact O-CB 3.38Å; E293-R297 PolarHBondContact O-N 2.86Å; E293-R297 IonicContact OE1-CZ 3.78Å; E293-R297 IonicContact OE1-NH2 2.74Å; E293-R297 PolarHBondContact OE1-NH2 3.28Å; N294-R297 WeakPolarHBondContact O-CB 3.28Å; N294-R297 PolarHBondContact O-N 3.44Å; R295-R297 VanDerWaalsContact C-N 3.32Å; R295-R297 PolarHBondContact O-N 3.39Å; R297-H301 PolarHBondContact O-N 2.71Å
298V96.3Very high96.8Very high40 Ų4079.6 Ų79.624%0.24237%0.374CS..Hα-helixtrans-62.1-50.9-179.2172.60000110.5T190 N294 R295 R300 H301 Q302T190-V298 HydrophobicContact CG2-CG1 3.55Å; N294-V298 WeakPolarHBondContact O-CG2 3.47Å; N294-V298 PolarHBondContact O-N 3.28Å; R295-V298 PolarHBondContact O-N 2.8Å; V298-R300 PolarHBondContact O-N 3.32Å; V298-H301 PolarHBondContact O-N 3.23Å; V298-Q302 HydrophobicContact CG1-CG 4.21Å; V298-Q302 WeakPolarHBondContact O-CB 3.39Å; V298-Q302 VanDerWaalsContact O-CG 3.29Å; V298-Q302 WeakPolarHBondContact O-CG 3.33Å; V298-Q302 PolarHBondContact O-N 3.31Å
299M97.2Very high96.7Very high12 Ų1279.9 Ų79.96%0.05938%0.378CS..Hα-helixtrans-68.4-39.5-174.9-70.3-57.4-60.400113Y121 L124 F187 L191 L194 R295 H301 Q302 L303Y121-M299 HydrophobicContact CD1-SD 4.45Å; Y121-M299 HydrophobicContact CE1-CE 4.11Å; Y121-M299 HydrophobicContact CE1-CG 3.58Å; Y121-M299 HydrophobicContact CE1-SD 3.68Å; Y121-M299 WeakPolarHBondContact OH-CG 3.4Å; L124-M299 HydrophobicContact CD2-CE 4.16Å; F187-M299 HydrophobicContact CE2-CE 4.46Å; F187-M299 HydrophobicContact CZ-CE 4.49Å; L191-M299 HydrophobicContact CD2-CE 3.83Å; L191-M299 HydrophobicContact CD2-SD 3.57Å; L191-M299 VanDerWaalsContact CD2-SD 3.57Å; L194-M299 HydrophobicContact CD2-CG 4.09Å; L194-M299 HydrophobicContact CD2-SD 4Å; R295-M299 HydrophobicContact CG-CG 4.28Å; R295-M299 VanDerWaalsContact O-CB 3.26Å; R295-M299 WeakPolarHBondContact O-CB 3.49Å; R295-M299 VanDerWaalsContact O-CG 3.27Å; R295-M299 WeakPolarHBondContact O-CG 3.4Å; R295-M299 PolarHBondContact O-N 3.22Å; M299-H301 VanDerWaalsContact C-N 3.28Å; M299-H301 PolarHBondContact O-N 3.25Å; M299-Q302 PolarHBondContact O-N 2.97Å; M299-L303 HydrophobicContact CB-CD1 4.49Å; M299-L303 HydrophobicContact CE-CD1 4.23Å; M299-L303 HydrophobicContact CE-CD2 4.22Å; M299-L303 HydrophobicContact CE-CG 4.09Å; M299-L303 VanDerWaalsContact O-CB 3.23Å; M299-L303 WeakPolarHBondContact O-CB 3.29Å; M299-L303 WeakPolarHBondContact O-CG 3.49Å; M299-L303 PolarHBondContact O-N 2.95Å
300R97.8Very high96.5Very high200 Ų20077.4 Ų77.476%0.75537%0.37SS*.Hα-helixtrans-59.1-44.5176.1-176.4-180178.7100.60.1110.9L296 V298 V304L296-R300 WeakPolarHBondContact O-CB 3.35Å; L296-R300 PolarHBondContact O-N 2.91Å; V298-R300 PolarHBondContact O-N 3.32Å; R300-V304 VanDerWaalsContact O-CG2 3.25Å; R300-V304 WeakPolarHBondContact O-CG2 3.36Å; R300-V304 PolarHBondContact O-N 3.5Å
301H97.5Very high96.4Very high114 Ų11474.1 Ų74.153%0.52836%0.363SS..Hα-helixtrans-65-50.8178.4-176.164.3000111.8R297 V298 M299 L303 V304 L305R297-H301 PolarHBondContact O-N 2.71Å; V298-H301 PolarHBondContact O-N 3.23Å; M299-H301 VanDerWaalsContact C-N 3.28Å; M299-H301 PolarHBondContact O-N 3.25Å; H301-L303 PolarHBondContact O-N 3.35Å; H301-V304 PolarHBondContact O-N 2.91Å; H301-L305 WeakPolarHBondContact NE2-CD1 3.5Å; H301-L305 PolarHBondContact O-N 3.07Å
302Q97.1Very high96Very high16 Ų1677.3 Ų77.38%0.07539%0.391CS..Hα-helixtrans-66.1-38.5-176.5-71.6-62.9-22.700113.3H186 F187 T190 V298 M299 L305 L306H186-Q302 PolarHBondContact NE2-NE2 3.46Å; F187-Q302 HydrophobicContact CD2-CB 3.96Å; F187-Q302 HydrophobicContact CE2-CB 4.1Å; T190-Q302 HydrophobicContact CG2-CG 3.62Å; T190-Q302 PolarHBondContact OG1-NE2 2.97Å; V298-Q302 HydrophobicContact CG1-CG 4.21Å; V298-Q302 WeakPolarHBondContact O-CB 3.39Å; V298-Q302 VanDerWaalsContact O-CG 3.29Å; V298-Q302 WeakPolarHBondContact O-CG 3.33Å; V298-Q302 PolarHBondContact O-N 3.31Å; M299-Q302 PolarHBondContact O-N 2.97Å; Q302-L305 PolarHBondContact O-N 2.68Å; Q302-L306 WeakPolarHBondContact O-CB 3.42Å; Q302-L306 PolarHBondContact O-N 3.21Å
303L97.7Very high95.8Very high86 Ų8674.5 Ų74.545%0.4538%0.377SS..Hα-helixtrans-65.9-37.8176.6-70.6171.8000112F187 M299 H301 L306 Q307F187-L303 HydrophobicContact CE2-CD2 4.17Å; F187-L303 HydrophobicContact CZ-CD2 4.23Å; M299-L303 HydrophobicContact CB-CD1 4.49Å; M299-L303 HydrophobicContact CE-CD1 4.23Å; M299-L303 HydrophobicContact CE-CD2 4.22Å; M299-L303 HydrophobicContact CE-CG 4.09Å; M299-L303 VanDerWaalsContact O-CB 3.23Å; M299-L303 WeakPolarHBondContact O-CB 3.29Å; M299-L303 WeakPolarHBondContact O-CG 3.49Å; M299-L303 PolarHBondContact O-N 2.95Å; H301-L303 PolarHBondContact O-N 3.35Å; L303-L306 PolarHBondContact O-N 2.95Å; L303-Q307 WeakPolarHBondContact O-CB 3.41Å; L303-Q307 PolarHBondContact O-N 3.03Å
304V97.8Very high95.4Very high69 Ų6974.6 Ų74.642%0.41838%0.376SS..Hα-helixtrans-66.3-44.2174.8170.30000110.9R300 H301 L306 Q307 N308R300-V304 VanDerWaalsContact O-CG2 3.25Å; R300-V304 WeakPolarHBondContact O-CG2 3.36Å; R300-V304 PolarHBondContact O-N 3.5Å; H301-V304 PolarHBondContact O-N 2.91Å; V304-L306 PolarHBondContact O-N 3.38Å; V304-Q307 PolarHBondContact O-N 2.92Å; V304-N308 WeakPolarHBondContact O-CB 3.4Å; V304-N308 PolarHBondContact O-N 3.48Å; V304-N308 PolarHBondContact O-ND2 3.47Å
305L97.1Very high94.8Very high73 Ų7376.3 Ų76.338%0.38239%0.393SS..Hα-helixtrans-60.7-45.1176-70.8-179.3000111.9H301 Q302 N308 A309H301-L305 WeakPolarHBondContact NE2-CD1 3.5Å; H301-L305 PolarHBondContact O-N 3.07Å; Q302-L305 PolarHBondContact O-N 2.68Å; L305-N308 PolarHBondContact O-N 3.09Å; L305-A309 WeakPolarHBondContact O-CB 3.46Å; L305-A309 PolarHBondContact O-N 3.29Å
306L96.1Very high93.2Very high38 Ų3877 Ų7720%0.19941%0.414CS..Hα-helixtrans-60.6-46.1177.2179.263.1000111.5L184 F187 Q302 L303 V304 N308 A309 T310L184-L306 HydrophobicContact CD2-CD1 3.62Å; F187-L306 HydrophobicContact CD1-CD2 4.11Å; F187-L306 HydrophobicContact CD2-CB 4.41Å; F187-L306 HydrophobicContact CD2-CD2 4.23Å; F187-L306 HydrophobicContact CE1-CD2 3.98Å; F187-L306 HydrophobicContact CE2-CD2 4.13Å; F187-L306 HydrophobicContact CG-CD2 4.23Å; F187-L306 HydrophobicContact CZ-CD2 4Å; Q302-L306 WeakPolarHBondContact O-CB 3.42Å; Q302-L306 PolarHBondContact O-N 3.21Å; L303-L306 PolarHBondContact O-N 2.95Å; V304-L306 PolarHBondContact O-N 3.38Å; L306-N308 VanDerWaalsContact C-N 3.35Å; L306-N308 PolarHBondContact O-N 3.42Å; L306-A309 PolarHBondContact O-N 3.38Å; L306-T310 VanDerWaalsContact O-CB 3.28Å; L306-T310 WeakPolarHBondContact O-CB 3.41Å; L306-T310 PolarHBondContact O-N 2.84Å; L306-T310 PolarHBondContact O-OG1 2.98Å
307Q95.9Very high91.8Very high123 Ų12377.3 Ų77.358%0.57542%0.416SS*.Hα-helixtrans-60-45.1176.5177.9-178.2-8.700111.4L303 V304 T310 S311L303-Q307 WeakPolarHBondContact O-CB 3.41Å; L303-Q307 PolarHBondContact O-N 3.03Å; V304-Q307 PolarHBondContact O-N 2.92Å; Q307-T310 PolarHBondContact O-N 3.25Å; Q307-S311 VanDerWaalsContact O-CB 3.28Å; Q307-S311 WeakPolarHBondContact O-CB 3.3Å; Q307-S311 PolarHBondContact O-N 2.99Å; Q307-S311 PolarHBondContact O-OG 3.07Å
308N95.5Very high90.5Very high91 Ų9175.3 Ų75.349%0.48742%0.416SS..Hα-helixtrans-65.6-45.5-179.2-71.4-12.8000111.4V304 L305 L306 S311 A312V304-N308 WeakPolarHBondContact O-CB 3.4Å; V304-N308 PolarHBondContact O-N 3.48Å; V304-N308 PolarHBondContact O-ND2 3.47Å; L305-N308 PolarHBondContact O-N 3.09Å; L306-N308 VanDerWaalsContact C-N 3.35Å; L306-N308 PolarHBondContact O-N 3.42Å; N308-S311 PolarHBondContact O-N 3.05Å; N308-A312 VanDerWaalsContact O-CB 3.24Å; N308-A312 WeakPolarHBondContact O-CB 3.4Å; N308-A312 PolarHBondContact O-N 2.88Å
309A94.9Very high89.3Confident21 Ų2181.1 Ų81.117%0.17444%0.441CS..Hα-helixtrans-61.5-44.4176.400000111.5L180 L305 L306 A312 F313L180-A309 HydrophobicContact CD1-CB 3.97Å; L305-A309 WeakPolarHBondContact O-CB 3.46Å; L305-A309 PolarHBondContact O-N 3.29Å; L306-A309 PolarHBondContact O-N 3.38Å; A309-A312 PolarHBondContact O-N 2.9Å; A309-F313 PolarHBondContact O-N 3.21Å; A309-F313 VanDerWaalsContact O-N 3.07Å
310T94.2Very high87.9Confident49 Ų4985.6 Ų85.630%0.30146%0.462SS..Hα-helixtrans-63.7-47.9178-56.30000111L306 Q307 A312 F313 F314L306-T310 VanDerWaalsContact O-CB 3.28Å; L306-T310 WeakPolarHBondContact O-CB 3.41Å; L306-T310 PolarHBondContact O-N 2.84Å; L306-T310 PolarHBondContact O-OG1 2.98Å; Q307-T310 PolarHBondContact O-N 3.25Å; T310-A312 PolarHBondContact O-N 3.23Å; T310-F313 PolarHBondContact O-N 3.29Å; T310-F314 HydrophobicContact CG2-CD2 3.78Å; T310-F314 HydrophobicContact CG2-CE2 3.85Å; T310-F314 WeakPolarHBondContact O-CD2 3.38Å; T310-F314 PolarHBondContact O-N 3.41Å; T310-F314 VanDerWaalsContact O-N 3.15Å
311S92.6Very high86.6Confident62 Ų6280.2 Ų80.243%0.43445%0.447SS..Hα-helixtrans-61.2-44.2178.1-570000111.4Q307 N308 F313 F314 S315Q307-S311 VanDerWaalsContact O-CB 3.28Å; Q307-S311 WeakPolarHBondContact O-CB 3.3Å; Q307-S311 PolarHBondContact O-N 2.99Å; Q307-S311 PolarHBondContact O-OG 3.07Å; N308-S311 PolarHBondContact O-N 3.05Å; S311-F313 VanDerWaalsContact C-N 3.26Å; S311-F313 PolarHBondContact O-N 3.37Å; S311-F314 PolarHBondContact O-N 3.46Å; S311-S315 WeakPolarHBondContact O-CA 3.49Å; S311-S315 WeakPolarHBondContact O-CB 3.46Å; S311-S315 PolarHBondContact O-N 2.98Å; S311-S315 PolarHBondContact O-OG 3.11Å
312A90Very high85.4Confident75 Ų7579.1 Ų79.162%0.6245%0.445SS*.Hα-helixtrans-63.5-31.2178.500000113N308 A309 T310N308-A312 VanDerWaalsContact O-CB 3.24Å; N308-A312 WeakPolarHBondContact O-CB 3.4Å; N308-A312 PolarHBondContact O-N 2.88Å; A309-A312 PolarHBondContact O-N 2.9Å; T310-A312 PolarHBondContact O-N 3.23Å
313F91.3Very high84.4Confident45 Ų4584.3 Ų84.320%0.19747%0.47CS..Hα-helixtrans-73.8-37.5176-178.8-101000112.7F135 N176 L180 A309 T310 S311F135-F313 HydrophobicContact CE2-CE1 4.38Å; F135-F313 HydrophobicContact CE2-CZ 4.3Å; F135-F313 HydrophobicContact CZ-CE1 4.18Å; F135-F313 HydrophobicContact CZ-CE2 4.28Å; F135-F313 AromaticContact CZ-CZ 3.88Å; F135-F313 HydrophobicContact CZ-CZ 3.88Å; N176-F313 HydrophobicContact CB-CD2 4.15Å; N176-F313 HydrophobicContact CB-CE2 4.25Å; L180-F313 HydrophobicContact CB-CB 4.41Å; L180-F313 HydrophobicContact CB-CD2 4.18Å; L180-F313 HydrophobicContact CB-CG 4.31Å; L180-F313 HydrophobicContact CD2-CB 3.78Å; L180-F313 HydrophobicContact CD2-CD1 3.56Å; L180-F313 HydrophobicContact CD2-CD2 4.09Å; L180-F313 HydrophobicContact CD2-CE1 4.14Å; L180-F313 HydrophobicContact CD2-CG 3.53Å; L180-F313 HydrophobicContact CG-CG 4.49Å; A309-F313 PolarHBondContact O-N 3.21Å; A309-F313 VanDerWaalsContact O-N 3.07Å; T310-F313 PolarHBondContact O-N 3.29Å; S311-F313 VanDerWaalsContact C-N 3.26Å; S311-F313 PolarHBondContact O-N 3.37Å
314F88.5Confident83.4Confident107 Ų10783.1 Ų83.147%0.46946%0.463SS..Hα-helixtrans-99.8-12.7-174.1-67.7-67.8000115.5T310 S311 G316T310-F314 HydrophobicContact CG2-CD2 3.78Å; T310-F314 HydrophobicContact CG2-CE2 3.85Å; T310-F314 WeakPolarHBondContact O-CD2 3.38Å; T310-F314 PolarHBondContact O-N 3.41Å; T310-F314 VanDerWaalsContact O-N 3.15Å; S311-F314 PolarHBondContact O-N 3.46Å; F314-G316 PolarHBondContact O-N 3.28Å
315S81.1Confident82.2Confident99 Ų9981.3 Ų81.369%0.69245%0.451SS*.THydrogen-bonded Turntrans-61.1-20.3-167.8560000115.9S311S311-S315 WeakPolarHBondContact O-CA 3.49Å; S311-S315 WeakPolarHBondContact O-CB 3.46Å; S311-S315 PolarHBondContact O-N 2.98Å; S311-S315 PolarHBondContact O-OG 3.11Å
316G65Low81Confident59 Ų5983.9 Ų83.961%0.60847%0.465SS*.THydrogen-bonded Turntrans-90.7-21.5-173.100000116.5F314F314-G316 PolarHBondContact O-N 3.28Å
317N67.3Low80Confident95 Ų9589.4 Ų89.451%0.50849%0.49SS..THydrogen-bonded Turntrans-112.6-12.2-154.9-66.9-17000116.2Q320 L321N317-Q320 PolarHBondContact O-N 3.24Å; N317-L321 WeakPolarHBondContact O-CB 3.48Å; N317-L321 PolarHBondContact O-N 3.04Å
318N69Low79Confident107 Ų10791.7 Ų91.757%0.57250%0.495SS*.Hα-helixtrans-62.7-51.7-169.8-77-33.1000113.5Q320 L321 D322N318-Q320 VanDerWaalsContact C-N 3.35Å; N318-Q320 PolarHBondContact O-N 3.35Å; N318-L321 PolarHBondContact O-N 2.99Å; N318-D322 PolarHBondContact O-N 3.33Å
319Q70.9Confident77.8Confident162 Ų16296.2 Ų96.276%0.75751%0.51SS*.Hα-helixtrans-65.9-37.6-177.4-68.4-179.1-15.200112.6L321 D322 Q323Q319-L321 VanDerWaalsContact C-N 3.34Å; Q319-D322 PolarHBondContact O-N 3.34Å; Q319-Q323 WeakPolarHBondContact O-CG 3.49Å; Q319-Q323 PolarHBondContact O-N 3.08Å
320Q68.8Low76.6Confident107 Ų10799.4 Ų99.450%0.552%0.523SS..Hα-helixtrans-69.5-36.3177.2-169.3172900111.1N317 N318 Q323 I324N317-Q320 PolarHBondContact O-N 3.24Å; N318-Q320 VanDerWaalsContact C-N 3.35Å; N318-Q320 PolarHBondContact O-N 3.35Å; Q320-Q323 PolarHBondContact O-N 3.18Å; Q320-I324 HydrophobicContact CG-CD1 4.11Å; Q320-I324 WeakPolarHBondContact O-CD1 3.4Å; Q320-I324 VanDerWaalsContact O-CG1 3.25Å; Q320-I324 WeakPolarHBondContact O-CG1 3.33Å; Q320-I324 PolarHBondContact O-N 3.29Å
321L69.4Low75.3Confident86 Ų86106.4 Ų106.445%0.4555%0.55SS..Hα-helixtrans-64.3-42.2175.7-172.862.1000111.6N317 N318 Q319 Q323 I324 L325N317-L321 WeakPolarHBondContact O-CB 3.48Å; N317-L321 PolarHBondContact O-N 3.04Å; N318-L321 PolarHBondContact O-N 2.99Å; Q319-L321 VanDerWaalsContact C-N 3.34Å; L321-Q323 VanDerWaalsContact C-N 3.31Å; L321-Q323 PolarHBondContact O-N 3.37Å; L321-I324 PolarHBondContact O-N 3.25Å; L321-I324 VanDerWaalsContact O-N 3.15Å; L321-L325 HydrophobicContact CG-CD1 4.28Å; L321-L325 HydrophobicContact CG-CG 4.45Å; L321-L325 VanDerWaalsContact O-CG 3.31Å; L321-L325 WeakPolarHBondContact O-CG 3.44Å; L321-L325 PolarHBondContact O-N 2.91Å
322D74Confident73.8Confident91 Ų91109 Ų10949%0.48756%0.558SS.*Hα-helixtrans-60.3-40.4175.7-70.6-31.8000112.1N318 Q319 L325 N326N318-D322 PolarHBondContact O-N 3.33Å; Q319-D322 PolarHBondContact O-N 3.34Å; D322-L325 PolarHBondContact O-N 3.38Å; D322-N326 PolarHBondContact O-N 3.28Å; D322-N326 VanDerWaalsContact O-N 3.17Å; D322-N326 PolarHBondContact O-ND2 3.03Å; D322-N326 VanDerWaalsContact O-ND2 3.12Å
323Q75.5Confident72.7Confident126 Ų126111 Ų11159%0.58956%0.564SS**Hα-helixtrans-64.3-41.4174.7-68.9175.93.900111.9Q319 Q320 L321 N326 Q327Q319-Q323 WeakPolarHBondContact O-CG 3.49Å; Q319-Q323 PolarHBondContact O-N 3.08Å; Q320-Q323 PolarHBondContact O-N 3.18Å; L321-Q323 VanDerWaalsContact C-N 3.31Å; L321-Q323 PolarHBondContact O-N 3.37Å; Q323-N326 PolarHBondContact O-N 3.19Å; Q323-Q327 WeakPolarHBondContact O-CG 3.27Å; Q323-Q327 PolarHBondContact O-N 3.36Å
324I76.1Confident70.8Confident60 Ų60115.3 Ų115.331%0.30859%0.589SS.*Hα-helixtrans-66-43.1177.5-69.9165.8000111Q320 L321 N326 Q327 Y328Q320-I324 HydrophobicContact CG-CD1 4.11Å; Q320-I324 WeakPolarHBondContact O-CD1 3.4Å; Q320-I324 VanDerWaalsContact O-CG1 3.25Å; Q320-I324 WeakPolarHBondContact O-CG1 3.33Å; Q320-I324 PolarHBondContact O-N 3.29Å; L321-I324 PolarHBondContact O-N 3.25Å; L321-I324 VanDerWaalsContact O-N 3.15Å; I324-N326 VanDerWaalsContact C-N 3.27Å; I324-N326 PolarHBondContact O-N 2.92Å; I324-Q327 WeakPolarHBondContact O-CA 3.38Å; I324-Q327 WeakPolarHBondContact O-CB 3.42Å; I324-Q327 PolarHBondContact O-N 2.89Å; I324-Y328 HydrophobicContact CG2-CD2 3.54Å; I324-Y328 HydrophobicContact CG2-CE2 3.46Å; I324-Y328 VanDerWaalsContact CG2-CE2 3.46Å; I324-Y328 WeakPolarHBondContact O-CD2 3.11Å; I324-Y328 PolarHBondContact O-N 3.32Å
325L72.3Confident69.1Low31 Ų31115.3 Ų115.316%0.16261%0.609CS.*Hα-helixtrans-60.3-38.2178-72.9172.2000112L321 D322 Q327 Y328 K329 I330 L332L321-L325 HydrophobicContact CG-CD1 4.28Å; L321-L325 HydrophobicContact CG-CG 4.45Å; L321-L325 VanDerWaalsContact O-CG 3.31Å; L321-L325 WeakPolarHBondContact O-CG 3.44Å; L321-L325 PolarHBondContact O-N 2.91Å; D322-L325 PolarHBondContact O-N 3.38Å; L325-Q327 VanDerWaalsContact C-N 3.31Å; L325-Q327 PolarHBondContact O-N 3.09Å; L325-Y328 PolarHBondContact O-N 2.89Å; L325-K329 PolarHBondContact O-N 2.89Å; L325-K329 VanDerWaalsContact O-N 3.13Å; L325-I330 HydrophobicContact CD2-CB 4.15Å; L325-I330 HydrophobicContact CD2-CD1 4.34Å; L325-I330 HydrophobicContact CD2-CG2 4.21Å; L325-I330 PolarHBondContact O-N 3.19Å; L325-I330 VanDerWaalsContact O-N 3.1Å; L325-L332 HydrophobicContact CD1-CD1 3.82Å; L325-L332 HydrophobicContact CD1-CG 4.4Å
326N72.6Confident67.6Low128 Ų128118.3 Ų118.368%0.68461%0.612SS**Hα-helixtrans-62.8-36.1172.8-73.4-36.4000112.4D322 Q323 I324 K329D322-N326 PolarHBondContact O-N 3.28Å; D322-N326 VanDerWaalsContact O-N 3.17Å; D322-N326 PolarHBondContact O-ND2 3.03Å; D322-N326 VanDerWaalsContact O-ND2 3.12Å; Q323-N326 PolarHBondContact O-N 3.19Å; I324-N326 VanDerWaalsContact C-N 3.27Å; I324-N326 PolarHBondContact O-N 2.92Å; N326-K329 PolarHBondContact O-N 3.42Å
327Q74.7Confident66.4Low154 Ų154123.3 Ų123.372%0.7263%0.625SS**Hα-helixtrans-70.4-41.2176-67177.111.800112.4Q323 I324 L325 K329Q323-Q327 WeakPolarHBondContact O-CG 3.27Å; Q323-Q327 PolarHBondContact O-N 3.36Å; I324-Q327 WeakPolarHBondContact O-CA 3.38Å; I324-Q327 WeakPolarHBondContact O-CB 3.42Å; I324-Q327 PolarHBondContact O-N 2.89Å; L325-Q327 VanDerWaalsContact C-N 3.31Å; L325-Q327 PolarHBondContact O-N 3.09Å; Q327-K329 PolarHBondContact O-N 3.38Å
328Y75.2Confident65.2Low171 Ų171122.2 Ų122.267%0.67164%0.636SS**THydrogen-bonded Turntrans-71.3-4.8173.7-77.2-77.5000113.4I324 L325 I330I324-Y328 HydrophobicContact CG2-CD2 3.54Å; I324-Y328 HydrophobicContact CG2-CE2 3.46Å; I324-Y328 VanDerWaalsContact CG2-CE2 3.46Å; I324-Y328 WeakPolarHBondContact O-CD2 3.11Å; I324-Y328 PolarHBondContact O-N 3.32Å; L325-Y328 PolarHBondContact O-N 2.89Å; Y328-I330 HydrophobicContact CG-CD1 4.22Å; Y328-I330 PolarHBondContact O-N 3.12Å
329K71.2Confident63.8Low186 Ų186123.9 Ų123.981%0.80965%0.65SS**THydrogen-bonded Turntrans54.428.7-173.4-57.4178.2-178.9176.50112.7L325 N326 Q327 K331L325-K329 PolarHBondContact O-N 2.89Å; L325-K329 VanDerWaalsContact O-N 3.13Å; N326-K329 PolarHBondContact O-N 3.42Å; Q327-K329 PolarHBondContact O-N 3.38Å; K329-K331 PolarHBondContact O-N 2.84Å
330I68.8Low62.2Low88 Ų88121.3 Ų121.345%0.45165%0.65SS.*  trans-84111.7177.9-64.4168000107.5L325 Y328L325-I330 HydrophobicContact CD2-CB 4.15Å; L325-I330 HydrophobicContact CD2-CD1 4.34Å; L325-I330 HydrophobicContact CD2-CG2 4.21Å; L325-I330 PolarHBondContact O-N 3.19Å; L325-I330 VanDerWaalsContact O-N 3.1Å; Y328-I330 HydrophobicContact CG-CD1 4.22Å; Y328-I330 PolarHBondContact O-N 3.12Å
331K66.4Low60.7Low196 Ų196129 Ų12985%0.85269%0.685SS**  trans-87.4114.2169.5-66.4-175.1-179.8-177.40108.5K329K329-K331 PolarHBondContact O-N 2.84Å
332L62Low60.2Low116 Ų116131.1 Ų131.161%0.60770%0.697SS**PPolyproline II helixtrans-66.5132.5168-69.6168000108.4L325 N334L325-L332 HydrophobicContact CD1-CD1 3.82Å; L325-L332 HydrophobicContact CD1-CG 4.4Å; L332-N334 PolarHBondContact O-N 3.46Å
333P67Low59.5Low116 Ų116133.2 Ų133.275%0.75371%0.708SS**PPolyproline II helixtrans-61.3126.6168.723.4-29.1000108.7A335P333-A335 PolarHBondContact O-N 3.27Å; P333-A335 VanDerWaalsContact O-N 3.16Å
334N50.3Low58.6Low136 Ų136133.6 Ų133.673%0.72771%0.714SS**PPolyproline II helixtrans-53.4122176-81.23000109.6L332 E336L332-N334 PolarHBondContact O-N 3.46Å; N334-E336 PolarHBondContact O-N 3.3Å
335A54.3Low57.6Low107 Ų107137.9 Ų137.988%0.88474%0.738SS**SBendtrans-7533.1178.100000113.3P333P333-A335 PolarHBondContact O-N 3.27Å; P333-A335 VanDerWaalsContact O-N 3.16Å
336E48.1Very low56.7Low162 Ų162144.6 Ų144.676%0.75777%0.774SS**  trans-97.34.6-173.5-77.6-166.4149.100115.5N334N334-E336 PolarHBondContact O-N 3.3Å
337N40.5Very low55.6Low165 Ų165145.7 Ų145.788%0.88278%0.78SS**  trans-119.186.7176.9-70.7-31.3000111.4
338G41.2Very low54.3Low71 Ų71145.1 Ų145.173%0.73279%0.785SS**SBendtrans-160.9-2.7177.400000117.8
339V40.4Very low52.6Low142 Ų142143.2 Ų143.286%0.86179%0.793SS**  trans-132.191.9170.5-1710000108.7
340S37.4Very low51.1Low109 Ų109139.6 Ų139.676%0.76279%0.792SS**  trans-132.4118.8164.5-56.60000106.5
341H37Very low49.5Very low267 Ų267144.3 Ų144.3100%1.23682%0.823SS**  trans85.10-173.3-70.3-68.7000118.5

Retrieved 341 of 341 residues in 620.4 ms (Link to these results)