A0A3Q0KU25_SCHMA Loading...

Putative hypoxia associated factor

AlphaFold DB , UniProt , Accession A0A3Q0KU25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 796 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
1M41.4Very low39.8Very low236 Ų236165.5 Ų165.5100%1.16385%0.852SS**  0152.40-69.4-166.7129.100108.4
2T40.6Very low39.4Very low136 Ų136168.3 Ų168.383%0.83485%0.853SS**  trans79.291.8-166.774.30000113.8
3R38.2Very low39.6Very low258 Ų258167.2 Ų167.297%0.97484%0.842SS**  60.9111.467.9-65.5-169.8177.8-175.50.7114.1
4G37.6Very low39.5Very low82 Ų82171.8 Ų171.885%0.84585%0.845SS**  trans163108.4164.400000113.9
5S35.7Very low39.3Very low119 Ų119172.1 Ų172.183%0.83284%0.843SS**  trans-72.6158-164.4-151.40000116.6
6P40.4Very low39.3Very low96 Ų96173.9 Ų173.962%0.62385%0.845SS**  trans-94.3176.2174.637.2-31.3000113.6
7H38.4Very low39Very low172 Ų172172.3 Ų172.380%0.79684%0.841SS**  trans97.9103.1166.3-59.9-60.9000118.6
8R39.8Very low38.8Very low261 Ų261176.1 Ų176.199%0.98585%0.845SS**  trans-134.885.1149.4-143.7174.8-170.9-171.52.3108.7
9S43.5Very low38.7Very low102 Ų102173.4 Ų173.471%0.71384%0.836SS**  trans-94.7150.8175.653.40000111.5
10H40.3Very low38.3Very low184 Ų184176.5 Ų176.585%0.85284%0.838SS**  trans-55.4123.5-168.6-61.7-82.2000115.4K12H10-K12 PolarHBondContact O-N 3.22Å
11K41.4Very low38.3Very low174 Ų174173.7 Ų173.776%0.75784%0.838SS**  trans-86.896173.6-154.1171.8-173.8176.70110H13K11-H13 WeakPolarHBondContact CD-NE2 3.32Å; K11-H13 WeakPolarHBondContact CE-NE2 3.44Å; K11-H13 PolarHBondContact O-N 3.46Å
12K35.3Very low37.9Very low199 Ų199174.1 Ų174.187%0.86583%0.826SS**  trans-69.5114.1166.3-69178.8177.6178.30108.9H10H10-K12 PolarHBondContact O-N 3.22Å
13H42.6Very low37.8Very low154 Ų154172.7 Ų172.771%0.71382%0.822SS**  trans-95.4111.7168.8-83.7-73.4000110.1K11K11-H13 WeakPolarHBondContact CD-NE2 3.32Å; K11-H13 WeakPolarHBondContact CE-NE2 3.44Å; K11-H13 PolarHBondContact O-N 3.46Å
14R37.5Very low37.8Very low232 Ų232165.8 Ų165.888%0.87581%0.81SS**  trans-67.2143.3175.7-79.4174.4151.4168.4-7.3111.7
15H36.5Very low37.7Very low176 Ų176168.8 Ų168.882%0.81581%0.807SS**  trans-46.7129.8165.6-60.6-87000112.4
16K39.2Very low37.7Very low201 Ų201169.2 Ų169.287%0.87480%0.8SS**  trans-105.389.4158.8-83.3-177.4176.3175.90107.9
17N34.4Very low37.7Very low147 Ų147174.3 Ų174.379%0.78682%0.815SS**  trans-73.9119.9151.3-71.4-22.1000106.3
18R36.2Very low37.6Very low241 Ų241173.8 Ų173.891%0.90982%0.816SS**  trans-133.1101.3166.2-148.6171.2-176.9157.20.7108.3
19D35.4Very low37.6Very low125 Ų125166.4 Ų166.467%0.66881%0.805SS**  trans-58.4145.4172.4-72.5-67.6000113.2
20R31.6Very low37.2Very low234 Ų234168.8 Ų168.888%0.88381%0.81SS**  trans52.8107.3133-59.4173.4-177.1-171.1-2.7119
21S38.5Very low36.6Very low118 Ų118170.9 Ų170.983%0.82581%0.81SS**  trans-139.6103.4144.941.40000106.4
22R33.2Very low36.2Very low245 Ų245169.3 Ų169.393%0.92582%0.815SS**  70.410981.3-154.1172.8-167.21752.5112.1
23S38.8Very low35.9Very low107 Ų107164.3 Ų164.375%0.74881%0.811SS**  trans-57.1154.4171.159.80000110.9
24P37.1Very low35.8Very low112 Ų112163.7 Ų163.773%0.72782%0.818SS**  -154.716894.530-7.7000117.3
25L34.7Very low35.6Very low146 Ų146157.8 Ų157.876%0.76481%0.812SS**  trans104.499134.8-14166.1000119.4
26D35.8Very low35.5Very low128 Ų128160.3 Ų160.368%0.68482%0.815SS**  trans32.2104.5130.1-57.4-25000119.5
27Q40.6Very low35.6Very low203 Ų203158 Ų15895%0.94981%0.812SS**  trans-140.881.4139.5-66.1-166.619.100108.8
28I36.3Very low35.6Very low161 Ų161158.4 Ų158.483%0.82681%0.814SS**  trans-91.8111.7164.2-65168000105.4
29S39.7Very low35.8Very low106 Ų106156.1 Ų156.174%0.74181%0.814SS**  trans-73.1145.2175.343.80000111.9
30D35.1Very low35.7Very low152 Ų152155.5 Ų155.581%0.81382%0.819SS**  trans-51.2122.1-179.4-53.1-62.7000112.3
31R28.6Very low35.8Very low227 Ų227150.6 Ų150.686%0.85782%0.818SS**  41.9109.385.5-68.4-170.9170.7-178.3-1.1114.5
32T32.4Very low35.7Very low141 Ų141150 Ų15087%0.86581%0.814SS**  166.6150.5106.841.60000112.3
33A30.6Very low35.7Very low95 Ų95145.6 Ų145.679%0.78581%0.808SS**  trans86.180.4160.400000119.5
34T39.9Very low35.4Very low141 Ų141149 Ų14987%0.86582%0.816SS**  -146.8133.512850.70000109.9
35S34Very low35.1Very low107 Ų107146.7 Ų146.775%0.74881%0.813SS**  trans-44.6133.3-175-160.30000114.8
36R33.8Very low35Very low229 Ų229143.7 Ų143.786%0.86482%0.818SS**  trans-105.5111.4164.9-72-179.5179.3175.4-2.3106.7
37D40Very low35.2Very low152 Ų152144.1 Ų144.181%0.81383%0.825SS**  trans-84.7123.6162.8-73.6-44.6000108.4Q39D37-Q39 PolarHBondContact O-N 3.33Å
38D34.7Very low35.2Very low157 Ų157137.4 Ų137.484%0.8481%0.81SS**  trans-69.9114.4177.4-70.1-50.2000110.6
39Q41Very low35.8Very low192 Ų192136.3 Ų136.390%0.89781%0.811SS**  trans-128.5129.4148.2-73.6-166.54.700109.6D37D37-Q39 PolarHBondContact O-N 3.33Å
40S32.4Very low36.1Very low113 Ų113138 Ų13879%0.7981%0.812SS**  trans-59.1148.6-170.645.60000115.2
41P33.8Very low37.6Very low130 Ų130138.6 Ų138.684%0.84481%0.813SS**  trans-89.8133.7176.235-29.1000111.4
42S37.7Very low39.8Very low106 Ų106132.8 Ų132.874%0.74181%0.807SS**  trans-118.7112159.558.90000109.2
43D33.3Very low42.1Very low152 Ų152130.6 Ų130.681%0.81379%0.79SS**  trans56.296.9138.8-53.8-24.8000120.5G45D43-G45 PolarHBondContact O-N 2.91Å
44I32.4Very low44.8Very low178 Ų178128.9 Ų128.991%0.91377%0.772SS**  trans-9.5113.5136.4-61.7155.6000115
45G31.4Very low46.9Very low64 Ų64126.5 Ų126.566%0.6675%0.753SS**  trans-149103.316000000109.5D43 T47D43-G45 PolarHBondContact O-N 2.91Å; G45-T47 PolarHBondContact O-N 3.18Å
46G31Very low49.4Very low84 Ų84124.9 Ų124.987%0.86675%0.746SS**  trans-61.7125.6-178.700000112.4
47T41.3Very low52Low136 Ų136118.9 Ų118.983%0.83473%0.728SS**  trans-135.4131.3163.8-0.80000107.6G45G45-T47 PolarHBondContact O-N 3.18Å
48G39.7Very low54.3Low62 Ų62113.9 Ų113.964%0.63970%0.703SS**  trans-56.3142.1-174.200000111.8D50G48-D50 PolarHBondContact O-N 3.31Å
49V49.8Very low57Low139 Ų139108.1 Ų108.184%0.84267%0.672SS**  trans-64103.9176.3179.40000108.1I51V49-I51 PolarHBondContact O-N 2.96Å
50D46.3Very low59.4Low142 Ų142101.2 Ų101.276%0.75965%0.648SS**  trans-66.6101.4-179.5-69.6-39.1000110.5G48 S52G48-D50 PolarHBondContact O-N 3.31Å; D50-S52 PolarHBondContact O-N 3.35Å
51I66.5Low62.2Low164 Ų16499.7 Ų99.784%0.84163%0.63SS**  trans-71.981.5169.8-53.2165.3000107V49V49-I51 PolarHBondContact O-N 2.96Å
52S73.3Confident65Low104 Ų10497.2 Ų97.273%0.72760%0.604SS**PPolyproline II helixtrans-96.6121.3176.747.20000109.4D50D50-S52 PolarHBondContact O-N 3.35Å
53L81.4Confident67.3Low96 Ų9695.4 Ų95.450%0.50360%0.596SS.*PPolyproline II helixtrans-97.2149.4168.8-68.8178.1000109.2E57 L61L53-E57 HydrophobicContact CB-CB 4.44Å; L53-L61 HydrophobicContact CD1-CD1 3.79Å
54S86.8Confident69.9Low58 Ų5896.4 Ų96.441%0.40659%0.593SS.*PPolyproline II helixtrans-64154.617566.80000111.1A56 E57 T58S54-A56 PolarHBondContact O-N 3.47Å; S54-E57 WeakPolarHBondContact CB-OE2 3.2Å; S54-E57 PolarHBondContact N-OE2 3.13Å; S54-E57 PolarHBondContact O-N 3.14Å; S54-E57 WeakPolarHBondContact OG-CB 3.4Å; S54-E57 VanDerWaalsContact OG-CD 3.23Å; S54-E57 VanDerWaalsContact OG-CG 3.23Å; S54-E57 WeakPolarHBondContact OG-CG 3.48Å; S54-E57 PolarHBondContact OG-N 3.48Å; S54-E57 PolarHBondContact OG-OE2 3.12Å; S54-T58 WeakPolarHBondContact O-CB 3.43Å; S54-T58 PolarHBondContact O-N 3.24Å; S54-T58 PolarHBondContact O-OG1 3.41Å
55I85.5Confident72.8Confident92 Ų9294.1 Ų94.147%0.47258%0.581SS.*Hα-helixtrans-62.1-33.3179.9-57.5158.6000110.6T58 N59 L70 T72I55-T58 PolarHBondContact O-N 2.93Å; I55-N59 WeakPolarHBondContact O-CB 3.33Å; I55-N59 VanDerWaalsContact O-CG 3.24Å; I55-N59 PolarHBondContact O-N 3.12Å; I55-L70 HydrophobicContact CG2-CD2 4.34Å; I55-T72 HydrophobicContact CB-CG2 4.45Å; I55-T72 HydrophobicContact CD1-CG2 4.41Å; I55-T72 HydrophobicContact CG2-CG2 3.54Å
56A85.3Confident75.7Confident72 Ų7294.5 Ų94.560%0.59559%0.585SS**Hα-helixtrans-66-44.9175.200000112.4S54 T58 N59 A60S54-A56 PolarHBondContact O-N 3.47Å; A56-T58 VanDerWaalsContact C-N 3.3Å; A56-T58 PolarHBondContact O-N 3.01Å; A56-N59 PolarHBondContact O-N 2.93Å; A56-A60 WeakPolarHBondContact O-CB 3.37Å; A56-A60 PolarHBondContact O-N 3.48Å
57E88.9Confident78.5Confident104 Ų10494.8 Ų94.849%0.48657%0.567SS.*Hα-helixtrans-64.5-37.8174.4-74.216514500111.3L53 S54 A60 L61L53-E57 HydrophobicContact CB-CB 4.44Å; S54-E57 WeakPolarHBondContact CB-OE2 3.2Å; S54-E57 PolarHBondContact N-OE2 3.13Å; S54-E57 PolarHBondContact O-N 3.14Å; S54-E57 WeakPolarHBondContact OG-CB 3.4Å; S54-E57 VanDerWaalsContact OG-CD 3.23Å; S54-E57 VanDerWaalsContact OG-CG 3.23Å; S54-E57 WeakPolarHBondContact OG-CG 3.48Å; S54-E57 PolarHBondContact OG-N 3.48Å; S54-E57 PolarHBondContact OG-OE2 3.12Å; E57-A60 PolarHBondContact O-N 3Å; E57-L61 WeakPolarHBondContact O-CB 3.34Å; E57-L61 VanDerWaalsContact O-CG 3.31Å; E57-L61 WeakPolarHBondContact O-CG 3.48Å; E57-L61 PolarHBondContact O-N 3.22Å
58T89Confident80.9Confident47 Ų4791.9 Ų91.929%0.28856%0.557SS.*Hα-helixtrans-66.8-39.2176.6-54.30000111.3S54 I55 A56 L61 R62S54-T58 WeakPolarHBondContact O-CB 3.43Å; S54-T58 PolarHBondContact O-N 3.24Å; S54-T58 PolarHBondContact O-OG1 3.41Å; I55-T58 PolarHBondContact O-N 2.93Å; A56-T58 VanDerWaalsContact C-N 3.3Å; A56-T58 PolarHBondContact O-N 3.01Å; T58-L61 PolarHBondContact O-N 3.33Å; T58-R62 WeakPolarHBondContact O-CB 3.31Å; T58-R62 PolarHBondContact O-N 3.21Å
59N90.8Very high83.3Confident35 Ų3592.9 Ų92.919%0.18755%0.551CS.*Hα-helixtrans-68.6-38.6175.3-76.8-7000112.1I55 A56 R62 A63 L70I55-N59 WeakPolarHBondContact O-CB 3.33Å; I55-N59 VanDerWaalsContact O-CG 3.24Å; I55-N59 PolarHBondContact O-N 3.12Å; A56-N59 PolarHBondContact O-N 2.93Å; N59-R62 PolarHBondContact O-N 3.06Å; N59-A63 WeakPolarHBondContact O-CB 3.39Å; N59-A63 PolarHBondContact O-N 2.96Å; N59-L70 PolarHBondContact ND2-O 2.68Å; N59-L70 WeakPolarHBondContact OD1-CA 3.49Å; N59-L70 WeakPolarHBondContact OD1-CB 3.26Å; N59-L70 PolarHBondContact OD1-N 3.33Å
60A91.7Very high84.7Confident48 Ų4890 Ų9040%0.39753%0.531SS..Hα-helixtrans-64-40.5172.400000111.8A56 E57 K64A56-A60 WeakPolarHBondContact O-CB 3.37Å; A56-A60 PolarHBondContact O-N 3.48Å; E57-A60 PolarHBondContact O-N 3Å; A60-K64 VanDerWaalsContact O-CG 3.32Å; A60-K64 WeakPolarHBondContact O-CG 3.47Å; A60-K64 PolarHBondContact O-N 3.34Å
61L90.2Very high86.3Confident80 Ų8089.6 Ų89.642%0.41953%0.529SS..Hα-helixtrans-67.1-39.7174.1-71.6176.3000111.9L53 E57 T58 K64 L65L53-L61 HydrophobicContact CD1-CD1 3.79Å; E57-L61 WeakPolarHBondContact O-CB 3.34Å; E57-L61 VanDerWaalsContact O-CG 3.31Å; E57-L61 WeakPolarHBondContact O-CG 3.48Å; E57-L61 PolarHBondContact O-N 3.22Å; T58-L61 PolarHBondContact O-N 3.33Å; L61-K64 PolarHBondContact O-N 3.24Å; L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 VanDerWaalsContact O-CG 3.25Å; L61-L65 WeakPolarHBondContact O-CG 3.46Å; L61-L65 PolarHBondContact O-N 3.24Å
62R93Very high86.7Confident79 Ų7984.9 Ų84.930%0.29851%0.508SS..Hα-helixtrans-60.8-46.4173.4-93.5179.5144.4-172.37.6111.9T58 N59 K64 L65 G66 L67 A68 P69 L70T58-R62 WeakPolarHBondContact O-CB 3.31Å; T58-R62 PolarHBondContact O-N 3.21Å; N59-R62 PolarHBondContact O-N 3.06Å; R62-K64 VanDerWaalsContact C-N 3.34Å; R62-K64 PolarHBondContact O-N 3.31Å; R62-L65 CarbonylContact O-C 3.56Å; R62-L65 PolarHBondContact O-N 3.31Å; R62-L65 VanDerWaalsContact O-N 3.09Å; R62-G66 PolarHBondContact O-N 3.25Å; R62-L67 CarbonylContact C-O 3.58Å; R62-L67 HydrophobicContact CB-CB 3.94Å; R62-L67 HydrophobicContact CG-CB 3.67Å; R62-L67 HydrophobicContact CG-CD2 4.26Å; R62-L67 PolarHBondContact O-N 3.48Å; R62-A68 WeakPolarHBondContact CD-O 3.48Å; R62-A68 PolarHBondContact NE-O 3.42Å; R62-A68 VanDerWaalsContact NE-O 3.17Å; R62-A68 PolarHBondContact NH1-O 3.32Å; R62-P69 PolarHBondContact NH1-O 3.38Å; R62-L70 VanDerWaalsContact NH1-N 3.17Å
63A85.4Confident86Confident68 Ų6887.8 Ų87.856%0.56252%0.515SS*.Hα-helixtrans-60.9-42.2176.800000112.1N59 L65 G66N59-A63 WeakPolarHBondContact O-CB 3.39Å; N59-A63 PolarHBondContact O-N 2.96Å; A63-L65 VanDerWaalsContact C-N 3.26Å; A63-L65 PolarHBondContact O-N 2.93Å; A63-G66 PolarHBondContact O-N 2.92Å; A63-G66 VanDerWaalsContact O-N 3.13Å
64K87.6Confident84.7Confident173 Ų17390.6 Ų90.675%0.75253%0.531SS*.Hα-helixtrans-64.2-30.2174.9-74.4174.5-179.81780113.3A60 L61 R62 G66A60-K64 VanDerWaalsContact O-CG 3.32Å; A60-K64 WeakPolarHBondContact O-CG 3.47Å; A60-K64 PolarHBondContact O-N 3.34Å; L61-K64 PolarHBondContact O-N 3.24Å; R62-K64 VanDerWaalsContact C-N 3.34Å; R62-K64 PolarHBondContact O-N 3.31Å; K64-G66 VanDerWaalsContact C-N 3.35Å
65L93.4Very high82.9Confident129 Ų12992.7 Ų92.768%0.67554%0.541SS*.THydrogen-bonded Turntrans-88.81.4176.2-65.5174.1000113.3L61 R62 A63 L67L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 VanDerWaalsContact O-CG 3.25Å; L61-L65 WeakPolarHBondContact O-CG 3.46Å; L61-L65 PolarHBondContact O-N 3.24Å; R62-L65 CarbonylContact O-C 3.56Å; R62-L65 PolarHBondContact O-N 3.31Å; R62-L65 VanDerWaalsContact O-N 3.09Å; A63-L65 VanDerWaalsContact C-N 3.26Å; A63-L65 PolarHBondContact O-N 2.93Å; L65-L67 HydrophobicContact CB-CD1 4.02Å; L65-L67 WeakPolarHBondContact O-CD1 3.48Å; L65-L67 PolarHBondContact O-N 3Å
66G92.1Very high80.8Confident72 Ų7294.4 Ų94.474%0.74256%0.556SS**THydrogen-bonded Turntrans68.517.9-17500000114.3R62 A63 K64R62-G66 PolarHBondContact O-N 3.25Å; A63-G66 PolarHBondContact O-N 2.92Å; A63-G66 VanDerWaalsContact O-N 3.13Å; K64-G66 VanDerWaalsContact C-N 3.35Å
67L91.1Very high78.7Confident91 Ų91101.2 Ų101.248%0.47657%0.572SS.*PPolyproline II helixtrans-88.9146.4173.7-90.971.1000111.1R62 L65R62-L67 CarbonylContact C-O 3.58Å; R62-L67 HydrophobicContact CB-CB 3.94Å; R62-L67 HydrophobicContact CG-CB 3.67Å; R62-L67 HydrophobicContact CG-CD2 4.26Å; R62-L67 PolarHBondContact O-N 3.48Å; L65-L67 HydrophobicContact CB-CD1 4.02Å; L65-L67 WeakPolarHBondContact O-CD1 3.48Å; L65-L67 PolarHBondContact O-N 3Å
68A91Very high76.5Confident75 Ų75101.4 Ų101.462%0.6259%0.585SS**PPolyproline II helixtrans-59.3135.5174.200000111R62R62-A68 WeakPolarHBondContact CD-O 3.48Å; R62-A68 PolarHBondContact NE-O 3.42Å; R62-A68 VanDerWaalsContact NE-O 3.17Å; R62-A68 PolarHBondContact NH1-O 3.32Å
69P90.3Very high74.4Confident82 Ų82108.1 Ų108.153%0.53261%0.613SS.*PPolyproline II helixtrans-52.5148.3177-25.233.8000112.8R62 D71R62-P69 PolarHBondContact NH1-O 3.38Å; P69-D71 PolarHBondContact O-N 3.13Å
70L79.2Confident72Confident80 Ų80116.7 Ų116.742%0.41964%0.643SS.*PPolyproline II helixtrans-74.9116.2171.4-168.766.1000108.3I55 N59 R62 T72I55-L70 HydrophobicContact CG2-CD2 4.34Å; N59-L70 PolarHBondContact ND2-O 2.68Å; N59-L70 WeakPolarHBondContact OD1-CA 3.49Å; N59-L70 WeakPolarHBondContact OD1-CB 3.26Å; N59-L70 PolarHBondContact OD1-N 3.33Å; R62-L70 VanDerWaalsContact NH1-N 3.17Å; L70-T72 PolarHBondContact O-N 3.4Å
71D80.5Confident69.9Low133 Ų133118.7 Ų118.771%0.71166%0.66SS**PPolyproline II helixtrans-59.1118.5177-74.7-25.9000109.3P69P69-D71 PolarHBondContact O-N 3.13Å
72T74.9Confident67.8Low64 Ų64120 Ų12039%0.39367%0.666SS.*PPolyproline II helixtrans-90.6126.7164.750.60000107.1I55 L70 D74I55-T72 HydrophobicContact CB-CG2 4.45Å; I55-T72 HydrophobicContact CD1-CG2 4.41Å; I55-T72 HydrophobicContact CG2-CG2 3.54Å; L70-T72 PolarHBondContact O-N 3.4Å; T72-D74 PolarHBondContact O-N 3.41Å
73D58.2Low65.6Low166 Ų166123.3 Ų123.389%0.88869%0.69SS**THydrogen-bonded Turntrans-59.512.5-167.7-71.7-44.7000117.2
74D54.4Low63.8Low154 Ų154124.6 Ų124.682%0.82469%0.688SS**THydrogen-bonded Turntrans-90.1-4.8177.2-67.2-36.2000113.8T72 T76T72-D74 PolarHBondContact O-N 3.41Å; D74-T76 PolarHBondContact O-N 2.99Å
75T48.6Very low62.1Low103 Ų103124.8 Ų124.863%0.63269%0.691SS**SBendtrans-94.198.3169.3510000110.3K77T75-K77 PolarHBondContact O-N 3.32Å
76T41.2Very low60.1Low127 Ų127121.8 Ų121.878%0.77969%0.685SS**  trans-32.1109.8165.550.70000112.4D74 S78D74-T76 PolarHBondContact O-N 2.99Å; T76-S78 PolarHBondContact O-N 2.94Å
77K40.7Very low58Low216 Ų216124.8 Ų124.894%0.93968%0.684SS**  trans-0.580.2158-64.9176.7-179.21750114.4T75T75-K77 PolarHBondContact O-N 3.32Å
78S42.9Very low56.2Low107 Ų107125.2 Ų125.275%0.74869%0.694SS**  trans-109.2100.6163.466.80000108.1T76T76-S78 PolarHBondContact O-N 2.94Å
79E45Very low54.1Low189 Ų189132.4 Ų132.488%0.88371%0.706SS**  trans44.780157.4-67-175.1152.900116.7A81E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 3.1Å
80R41.5Very low52.8Low214 Ų214134.4 Ų134.481%0.80872%0.716SS**  trans-59.299.1151.7-168175.2-173.2100.7-3.3107.5L82R80-L82 HydrophobicContact CB-CD1 4.38Å; R80-L82 HydrophobicContact CG-CD1 3.96Å; R80-L82 HydrophobicContact CG-CG 4.23Å; R80-L82 PolarHBondContact O-N 3.37Å
81A46.1Very low51.9Low91 Ų91139.3 Ų139.375%0.75274%0.737SS**  trans-61.181.9162.900000107.9E79 D83E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 3.1Å; A81-D83 VanDerWaalsContact C-N 3.32Å; A81-D83 PolarHBondContact O-N 3.33Å
82L47.2Very low51.3Low107 Ų107137.1 Ų137.156%0.5674%0.737SS**  trans-68.998167.7-96.7128.4000106.6R80 N84R80-L82 HydrophobicContact CB-CD1 4.38Å; R80-L82 HydrophobicContact CG-CD1 3.96Å; R80-L82 HydrophobicContact CG-CG 4.23Å; R80-L82 PolarHBondContact O-N 3.37Å; L82-N84 WeakPolarHBondContact CD2-OD1 3.45Å; L82-N84 PolarHBondContact O-N 3.4Å
83D45.8Very low51.5Low149 Ų149139.9 Ų139.980%0.79776%0.757SS**  trans-59.966.9161.2-98.7-15.7000109.6A81 Q85A81-D83 VanDerWaalsContact C-N 3.32Å; A81-D83 PolarHBondContact O-N 3.33Å; D83-Q85 PolarHBondContact O-N 3.43Å; D83-Q85 VanDerWaalsContact O-N 3.09Å
84N47.5Very low52.3Low95 Ų95136.4 Ų136.451%0.50875%0.751SS.*  trans-85.355.4166.8-68.3-10.1000108.5L82 A86L82-N84 WeakPolarHBondContact CD2-OD1 3.45Å; L82-N84 PolarHBondContact O-N 3.4Å; N84-A86 PolarHBondContact O-N 3.19Å
85Q52.6Low53.3Low176 Ų176137.5 Ų137.582%0.82275%0.748SS**THydrogen-bonded Turntrans-65-9.1171.9-177.872.464.100111.7D83D83-Q85 PolarHBondContact O-N 3.43Å; D83-Q85 VanDerWaalsContact O-N 3.09Å
86A51.3Low54.7Low66 Ų66136.9 Ų136.955%0.54574%0.741SS.*THydrogen-bonded Turntrans-92.9-24.9-174.200000115.4N84N84-A86 PolarHBondContact O-N 3.19Å
87D47.8Very low56.7Low135 Ų135136.6 Ų136.672%0.72273%0.733SS**SBendtrans-113.312.2-163.5-66.2-19.2000115.5
88C54.6Low58.6Low101 Ų101135.3 Ų135.368%0.68272%0.722SS**  trans-126.469.4177.6-54.40000111.2V90C88-V90 PolarHBondContact O-N 3.23Å
89Y46.3Very low60.8Low225 Ų225136.5 Ų136.588%0.88271%0.714SS**  trans-69.246.8162.7-74.3-86.1000111.9
90V63.2Low62.9Low124 Ų124130.6 Ų130.675%0.75269%0.688SS**SBendtrans-115.2114.3168.4-177.40000105.7C88 A92C88-V90 PolarHBondContact O-N 3.23Å; V90-A92 PolarHBondContact O-N 3.42Å
91H59.9Low65.2Low183 Ų183128.9 Ų128.985%0.84768%0.682SS**  trans-50.4106.6177.4-68.7-75.5000109.3P93H91-P93 WeakPolarHBondContact O-CD 3.44Å
92A67.4Low67.4Low87 Ų87129.5 Ų129.572%0.71967%0.669SS**PPolyproline II helixtrans-57.2123.9169.500000106.8V90 A94V90-A92 PolarHBondContact O-N 3.42Å; A92-A94 PolarHBondContact O-N 3.27Å
93P79.2Confident69.6Low123 Ų123126.6 Ų126.680%0.79966%0.658SS**PPolyproline II helixtrans-55.1136.3-179.219.1-29.6000109.5H91 K95H91-P93 WeakPolarHBondContact O-CD 3.44Å; P93-K95 PolarHBondContact O-N 3.44Å
94A75Confident71.8Confident92 Ų92124.7 Ų124.776%0.7664%0.644SS**PPolyproline II helixtrans-53.5131.1-173.100000110.6A92 D96A92-A94 PolarHBondContact O-N 3.27Å; A94-D96 PolarHBondContact O-N 3.38Å
95K75Confident74Confident177 Ų177122 Ų12277%0.7764%0.635SS**PPolyproline II helixtrans-64.7124.6173.4-67.1177.2-179.4179.60108P93 I97 I100P93-K95 PolarHBondContact O-N 3.44Å; K95-I97 VanDerWaalsContact C-N 3.33Å; K95-I97 PolarHBondContact O-N 3.2Å; K95-I100 HydrophobicContact CB-CD1 3.91Å
96D79.2Confident76Confident91 Ų91118.6 Ų118.649%0.48762%0.621SS.*  trans-60.294.6174.5-71.5-36.2000110A94 R98 K99 I100A94-D96 PolarHBondContact O-N 3.38Å; D96-R98 PolarHBondContact O-N 3.24Å; D96-K99 HydrophobicContact CB-CB 4.17Å; D96-K99 HydrophobicContact CB-CD 3.85Å; D96-K99 HydrophobicContact CB-CG 3.89Å; D96-K99 PolarHBondContact O-N 3.21Å; D96-K99 VanDerWaalsContact OD2-CE 3.27Å; D96-K99 WeakPolarHBondContact OD2-CE 3.09Å; D96-K99 IonicContact OD2-NZ 2.77Å; D96-K99 PolarHBondContact OD2-NZ 3.31Å; D96-I100 PolarHBondContact O-N 3.07Å
97I81.9Confident78.1Confident120 Ų120121.8 Ų121.862%0.61562%0.623SS**Hα-helixtrans-52.9-2917849.6163.8000112.6K95 I100 R101K95-I97 VanDerWaalsContact C-N 3.33Å; K95-I97 PolarHBondContact O-N 3.2Å; I97-I100 PolarHBondContact O-N 3.47Å; I97-R101 WeakPolarHBondContact O-CG 3.44Å; I97-R101 PolarHBondContact O-N 2.98Å
98R82.1Confident80.2Confident189 Ų189121.8 Ų121.871%0.71362%0.618SS**Hα-helixtrans-64.6-46.2176.5-166.7-174.6-67.2156-0.5111.2D96 I100 R101 E102D96-R98 PolarHBondContact O-N 3.24Å; R98-I100 VanDerWaalsContact C-N 3.3Å; R98-I100 PolarHBondContact O-N 2.77Å; R98-R101 PolarHBondContact O-N 3.15Å; R98-E102 WeakPolarHBondContact CG-OE1 3.46Å; R98-E102 WeakPolarHBondContact O-CB 3.39Å; R98-E102 VanDerWaalsContact O-CG 3.31Å; R98-E102 WeakPolarHBondContact O-CG 3.48Å; R98-E102 PolarHBondContact O-N 3.44Å
99K87.4Confident82.2Confident133 Ų133124.4 Ų124.458%0.57862%0.618SS**Hα-helixtrans-64.8-36.3177.5-65.4179.9-177.2154.40111.6D96 S103D96-K99 HydrophobicContact CB-CB 4.17Å; D96-K99 HydrophobicContact CB-CD 3.85Å; D96-K99 HydrophobicContact CB-CG 3.89Å; D96-K99 PolarHBondContact O-N 3.21Å; D96-K99 VanDerWaalsContact OD2-CE 3.27Å; D96-K99 WeakPolarHBondContact OD2-CE 3.09Å; D96-K99 IonicContact OD2-NZ 2.77Å; D96-K99 PolarHBondContact OD2-NZ 3.31Å; K99-S103 WeakPolarHBondContact O-CB 3.37Å; K99-S103 PolarHBondContact O-N 3.17Å; K99-S103 PolarHBondContact O-OG 3.16Å
100I89Confident84.6Confident65 Ų65117.9 Ų117.933%0.33360%0.598SS.*Hα-helixtrans-62.7-51.3175-65.6161000110.1K95 D96 I97 R98 E102 S103 E104K95-I100 HydrophobicContact CB-CD1 3.91Å; D96-I100 PolarHBondContact O-N 3.07Å; I97-I100 PolarHBondContact O-N 3.47Å; R98-I100 VanDerWaalsContact C-N 3.3Å; R98-I100 PolarHBondContact O-N 2.77Å; I100-E102 PolarHBondContact O-N 2.65Å; I100-S103 PolarHBondContact O-N 3Å; I100-S103 VanDerWaalsContact O-N 3.12Å; I100-S103 PolarHBondContact O-OG 2.94Å; I100-E104 HydrophobicContact CG2-CG 4.46Å; I100-E104 WeakPolarHBondContact O-CG 3.47Å; I100-E104 PolarHBondContact O-N 3.08Å
101R90.3Very high86Confident177 Ų177116.1 Ų116.167%0.66859%0.585SS**Hα-helixtrans-60.8-42.1178.1-73.7-178.8177.8-177.6-0.1112.9I97 R98 S103 E104 A105I97-R101 WeakPolarHBondContact O-CG 3.44Å; I97-R101 PolarHBondContact O-N 2.98Å; R98-R101 PolarHBondContact O-N 3.15Å; R101-S103 VanDerWaalsContact C-N 3.31Å; R101-S103 PolarHBondContact O-N 3.45Å; R101-E104 PolarHBondContact O-N 2.63Å; R101-A105 WeakPolarHBondContact O-CB 3.33Å; R101-A105 PolarHBondContact O-N 2.75Å
102E92.6Very high87.6Confident104 Ų104110.5 Ų110.549%0.48656%0.563SS.*Hα-helixtrans-61-42.8175-73.9169-173.700110.9R98 I100 I106R98-E102 WeakPolarHBondContact CG-OE1 3.46Å; R98-E102 WeakPolarHBondContact O-CB 3.39Å; R98-E102 VanDerWaalsContact O-CG 3.31Å; R98-E102 WeakPolarHBondContact O-CG 3.48Å; R98-E102 PolarHBondContact O-N 3.44Å; I100-E102 PolarHBondContact O-N 2.65Å; E102-I106 WeakPolarHBondContact O-CD1 3.46Å; E102-I106 WeakPolarHBondContact O-CG1 3.4Å; E102-I106 PolarHBondContact O-N 3.42Å
103S93.5Very high88.9Confident46 Ų46111.6 Ų111.632%0.32256%0.556SS.*Hα-helixtrans-66.4-38.2176.780.90000113K99 I100 R101 I106 K107K99-S103 WeakPolarHBondContact O-CB 3.37Å; K99-S103 PolarHBondContact O-N 3.17Å; K99-S103 PolarHBondContact O-OG 3.16Å; I100-S103 PolarHBondContact O-N 3Å; I100-S103 VanDerWaalsContact O-N 3.12Å; I100-S103 PolarHBondContact O-OG 2.94Å; R101-S103 VanDerWaalsContact C-N 3.31Å; R101-S103 PolarHBondContact O-N 3.45Å; S103-I106 PolarHBondContact O-N 2.89Å; S103-K107 VanDerWaalsContact O-CG 3.27Å; S103-K107 WeakPolarHBondContact O-CG 3.21Å; S103-K107 PolarHBondContact O-N 3.41Å
104E91.4Very high89.7Confident110 Ų110112.1 Ų112.151%0.51455%0.546SS..Hα-helixtrans-68.2-44.2176.9-74.6175.7165.600111.3I100 R101 I106 K107 E108I100-E104 HydrophobicContact CG2-CG 4.46Å; I100-E104 WeakPolarHBondContact O-CG 3.47Å; I100-E104 PolarHBondContact O-N 3.08Å; R101-E104 PolarHBondContact O-N 2.63Å; E104-I106 VanDerWaalsContact C-N 3.27Å; E104-I106 PolarHBondContact O-N 3.16Å; E104-K107 WeakPolarHBondContact O-CB 3.37Å; E104-K107 PolarHBondContact O-N 3.09Å; E104-K107 VanDerWaalsContact O-N 3.09Å; E104-E108 PolarHBondContact O-N 3.44Å
105A94.4Very high90.6Very high38 Ų38114 Ų11431%0.31454%0.539SS..Hα-helixtrans-61.9-34.817500000112.3R101 K109R101-A105 WeakPolarHBondContact O-CB 3.33Å; R101-A105 PolarHBondContact O-N 2.75Å; A105-K109 WeakPolarHBondContact O-CB 3.41Å; A105-K109 VanDerWaalsContact O-CG 3.22Å; A105-K109 WeakPolarHBondContact O-CG 3.47Å; A105-K109 PolarHBondContact O-N 3.33Å; A105-K109 VanDerWaalsContact O-N 3.12Å
106I95.4Very high91.6Very high104 Ų104112 Ų11253%0.53353%0.53SS..Hα-helixtrans-68.2-41.4173.3-68.4163000110.9E102 S103 E104 K109 L110E102-I106 WeakPolarHBondContact O-CD1 3.46Å; E102-I106 WeakPolarHBondContact O-CG1 3.4Å; E102-I106 PolarHBondContact O-N 3.42Å; S103-I106 PolarHBondContact O-N 2.89Å; E104-I106 VanDerWaalsContact C-N 3.27Å; E104-I106 PolarHBondContact O-N 3.16Å; I106-K109 PolarHBondContact O-N 2.93Å; I106-L110 HydrophobicContact CG2-CD1 4.49Å; I106-L110 WeakPolarHBondContact O-CB 3.33Å; I106-L110 PolarHBondContact O-N 3.28Å
107K93.7Very high92.3Very high134 Ų134117.1 Ų117.158%0.58354%0.543SS*.Hα-helixtrans-63.7-43.1176.6-72.9169.7-175.11780112.1S103 E104 L110 N111S103-K107 VanDerWaalsContact O-CG 3.27Å; S103-K107 WeakPolarHBondContact O-CG 3.21Å; S103-K107 PolarHBondContact O-N 3.41Å; E104-K107 WeakPolarHBondContact O-CB 3.37Å; E104-K107 PolarHBondContact O-N 3.09Å; E104-K107 VanDerWaalsContact O-N 3.09Å; K107-L110 PolarHBondContact O-N 3.49Å; K107-N111 PolarHBondContact O-N 3.46Å
108E93Very high92.7Very high135 Ų135114.3 Ų114.363%0.63153%0.534SS*.Hα-helixtrans-62.4-47.9177.3-172-176.217500111.1E104 L110 N111 V112E104-E108 PolarHBondContact O-N 3.44Å; E108-L110 VanDerWaalsContact C-N 3.28Å; E108-L110 PolarHBondContact O-N 2.95Å; E108-N111 PolarHBondContact O-N 3.4Å; E108-N111 VanDerWaalsContact O-N 3.1Å; E108-V112 WeakPolarHBondContact O-CG2 3.41Å; E108-V112 PolarHBondContact O-N 3.14Å
109K96.1Very high92.9Very high155 Ų155109.7 Ų109.767%0.67452%0.523SS*.Hα-helixtrans-58.6-39.6174.5-72.6172.4-175.3179.20112.3A105 I106 L113A105-K109 WeakPolarHBondContact O-CB 3.41Å; A105-K109 VanDerWaalsContact O-CG 3.22Å; A105-K109 WeakPolarHBondContact O-CG 3.47Å; A105-K109 PolarHBondContact O-N 3.33Å; A105-K109 VanDerWaalsContact O-N 3.12Å; I106-K109 PolarHBondContact O-N 2.93Å; K109-L113 WeakPolarHBondContact O-CB 3.34Å; K109-L113 PolarHBondContact O-N 2.94Å
110L96.4Very high92.9Very high88 Ų88109 Ų10946%0.46153%0.525SS..Hα-helixtrans-66.5-38.8174.8-85.9178.5000112.6I106 K107 E108 L113 K114I106-L110 HydrophobicContact CG2-CD1 4.49Å; I106-L110 WeakPolarHBondContact O-CB 3.33Å; I106-L110 PolarHBondContact O-N 3.28Å; K107-L110 PolarHBondContact O-N 3.49Å; E108-L110 VanDerWaalsContact C-N 3.28Å; E108-L110 PolarHBondContact O-N 2.95Å; L110-L113 PolarHBondContact O-N 3.21Å; L110-K114 WeakPolarHBondContact O-CB 3.27Å; L110-K114 VanDerWaalsContact O-CG 3.24Å; L110-K114 WeakPolarHBondContact O-CG 3.33Å; L110-K114 PolarHBondContact O-N 3.35Å
111N92.6Very high92.7Very high88 Ų88110.7 Ų110.747%0.47153%0.534SS..Hα-helixtrans-66.7-47.6176.3-90.12.3000111.8K107 E108 L113 K114 E115K107-N111 PolarHBondContact O-N 3.46Å; E108-N111 PolarHBondContact O-N 3.4Å; E108-N111 VanDerWaalsContact O-N 3.1Å; N111-L113 PolarHBondContact O-N 3.38Å; N111-K114 WeakPolarHBondContact O-CB 3.46Å; N111-K114 PolarHBondContact O-N 3.4Å; N111-E115 WeakPolarHBondContact O-CG 3.47Å; N111-E115 PolarHBondContact O-N 2.86Å
112V94.2Very high92.5Very high64 Ų64107.7 Ų107.739%0.38853%0.526SS..Hα-helixtrans-57.3-39.7175.5172.80000110.9E108 K116E108-V112 WeakPolarHBondContact O-CG2 3.41Å; E108-V112 PolarHBondContact O-N 3.14Å; V112-K116 HydrophobicContact CG1-CD 4.36Å; V112-K116 WeakPolarHBondContact O-CB 3.21Å; V112-K116 WeakPolarHBondContact O-CG 3.49Å; V112-K116 PolarHBondContact O-N 3.23Å
113L95Very high91.9Very high111 Ų111106.2 Ų106.258%0.58152%0.521SS*.Hα-helixtrans-69.1-40.7176.4-171.166.5000112.6K109 L110 N111 K116 R117K109-L113 WeakPolarHBondContact O-CB 3.34Å; K109-L113 PolarHBondContact O-N 2.94Å; L110-L113 PolarHBondContact O-N 3.21Å; N111-L113 PolarHBondContact O-N 3.38Å; L113-K116 PolarHBondContact O-N 2.77Å; L113-R117 WeakPolarHBondContact O-CB 3.4Å; L113-R117 PolarHBondContact O-N 3.24Å
114K96.3Very high90.9Very high133 Ų133106.2 Ų106.258%0.57853%0.529SS*.Hα-helixtrans-62.1-42174.5-76.2172.3-177.7-178.70111.6L110 N111 R117 S118L110-K114 WeakPolarHBondContact O-CB 3.27Å; L110-K114 VanDerWaalsContact O-CG 3.24Å; L110-K114 WeakPolarHBondContact O-CG 3.33Å; L110-K114 PolarHBondContact O-N 3.35Å; N111-K114 WeakPolarHBondContact O-CB 3.46Å; N111-K114 PolarHBondContact O-N 3.4Å; K114-R117 PolarHBondContact O-N 3.18Å; K114-S118 WeakPolarHBondContact O-CB 3.41Å; K114-S118 PolarHBondContact O-N 3.17Å
115E93.2Very high89.8Confident132 Ų132107.8 Ų107.862%0.61754%0.536SS*.Hα-helixtrans-64.9-45.5175.9-73.9174.8-173.200111.5N111 R117 S118 L119N111-E115 WeakPolarHBondContact O-CG 3.47Å; N111-E115 PolarHBondContact O-N 2.86Å; E115-R117 VanDerWaalsContact C-N 3.3Å; E115-R117 PolarHBondContact O-N 3.4Å; E115-S118 PolarHBondContact O-N 3.4Å; E115-L119 VanDerWaalsContact O-CB 3.32Å; E115-L119 WeakPolarHBondContact O-CB 3.38Å; E115-L119 PolarHBondContact O-N 3.25Å
116K95.1Very high88.2Confident136 Ų136113.8 Ų113.859%0.59156%0.557SS**Hα-helixtrans-59.3-41.7173.3-76.5-179.9178.3-179.50111.8V112 L113 L119 L120V112-K116 HydrophobicContact CG1-CD 4.36Å; V112-K116 WeakPolarHBondContact O-CB 3.21Å; V112-K116 WeakPolarHBondContact O-CG 3.49Å; V112-K116 PolarHBondContact O-N 3.23Å; L113-K116 PolarHBondContact O-N 2.77Å; K116-L119 PolarHBondContact O-N 3.47Å; K116-L120 WeakPolarHBondContact O-CB 3.46Å; K116-L120 WeakPolarHBondContact O-CG 3.29Å; K116-L120 PolarHBondContact O-N 2.83Å
117R95.2Very high86Confident197 Ų197116.5 Ų116.574%0.74357%0.565SS**Hα-helixtrans-66.8-44.2176.8-163.6173.9-167.1160.13111.7L113 K114 E115 L119 L120 D121L113-R117 WeakPolarHBondContact O-CB 3.4Å; L113-R117 PolarHBondContact O-N 3.24Å; K114-R117 PolarHBondContact O-N 3.18Å; E115-R117 VanDerWaalsContact C-N 3.3Å; E115-R117 PolarHBondContact O-N 3.4Å; R117-L119 VanDerWaalsContact C-N 3.32Å; R117-L119 PolarHBondContact O-N 3.27Å; R117-L120 PolarHBondContact O-N 3.36Å; R117-D121 VanDerWaalsContact O-CB 3.32Å; R117-D121 WeakPolarHBondContact O-CB 3.41Å; R117-D121 PolarHBondContact O-N 2.95Å
118S90.5Very high83.7Confident61 Ų61118.6 Ų118.643%0.42758%0.582SS.*Hα-helixtrans-62.8-38.2175.5176.30000111.9K114 E115 D121 K122K114-S118 WeakPolarHBondContact O-CB 3.41Å; K114-S118 PolarHBondContact O-N 3.17Å; E115-S118 PolarHBondContact O-N 3.4Å; S118-D121 PolarHBondContact O-N 3.11Å; S118-K122 WeakPolarHBondContact O-CB 3.22Å; S118-K122 WeakPolarHBondContact O-CE 3.46Å; S118-K122 VanDerWaalsContact O-CG 3.31Å; S118-K122 WeakPolarHBondContact O-CG 3.36Å; S118-K122 PolarHBondContact O-N 3.43Å
119L84.8Confident81.5Confident93 Ų93116.7 Ų116.749%0.48758%0.583SS.*Hα-helixtrans-66.5-44.6175.7-171.667.5000111.3E115 K116 R117 D121 K122 I123E115-L119 VanDerWaalsContact O-CB 3.32Å; E115-L119 WeakPolarHBondContact O-CB 3.38Å; E115-L119 PolarHBondContact O-N 3.25Å; K116-L119 PolarHBondContact O-N 3.47Å; R117-L119 VanDerWaalsContact C-N 3.32Å; R117-L119 PolarHBondContact O-N 3.27Å; L119-D121 VanDerWaalsContact C-N 3.32Å; L119-D121 PolarHBondContact O-N 3.02Å; L119-K122 PolarHBondContact O-N 3.3Å; L119-I123 HydrophobicContact CG-CD1 4.02Å; L119-I123 WeakPolarHBondContact O-CB 3.28Å; L119-I123 WeakPolarHBondContact O-CD1 3.43Å; L119-I123 VanDerWaalsContact O-CG1 3.23Å; L119-I123 WeakPolarHBondContact O-CG1 3.21Å; L119-I123 PolarHBondContact O-N 3.39Å
120L87.4Confident79.1Confident119 Ų119114.8 Ų114.862%0.62359%0.585SS**Hα-helixtrans-65.4-35.5174.8-71.7178.7000112.5K116 R117 I123 G124K116-L120 WeakPolarHBondContact O-CB 3.46Å; K116-L120 WeakPolarHBondContact O-CG 3.29Å; K116-L120 PolarHBondContact O-N 2.83Å; R117-L120 PolarHBondContact O-N 3.36Å; L120-I123 PolarHBondContact O-N 3.43Å; L120-G124 PolarHBondContact O-N 3.47Å
121D85.5Confident76.6Confident99 Ų99116.8 Ų116.853%0.52960%0.603SS.*Hα-helixtrans-68.6-42.4176.7-154.844.2000110.9R117 S118 L119 G124 Q125R117-D121 VanDerWaalsContact O-CB 3.32Å; R117-D121 WeakPolarHBondContact O-CB 3.41Å; R117-D121 PolarHBondContact O-N 2.95Å; S118-D121 PolarHBondContact O-N 3.11Å; L119-D121 VanDerWaalsContact C-N 3.32Å; L119-D121 PolarHBondContact O-N 3.02Å; D121-G124 PolarHBondContact O-N 3.12Å; D121-Q125 WeakPolarHBondContact O-CB 3.41Å; D121-Q125 VanDerWaalsContact O-CG 3.3Å; D121-Q125 WeakPolarHBondContact O-CG 3.2Å; D121-Q125 PolarHBondContact O-N 3.16Å; D121-Q125 PolarHBondContact OD2-NE2 3.25Å
122K85.6Confident74.4Confident115 Ų115117.5 Ų117.550%0.562%0.615SS.*Hα-helixtrans-59.1-47.2170.8-76.3-178.8-70.6176.30111.8S118 L119 G124 Q125 E126S118-K122 WeakPolarHBondContact O-CB 3.22Å; S118-K122 WeakPolarHBondContact O-CE 3.46Å; S118-K122 VanDerWaalsContact O-CG 3.31Å; S118-K122 WeakPolarHBondContact O-CG 3.36Å; S118-K122 PolarHBondContact O-N 3.43Å; L119-K122 PolarHBondContact O-N 3.3Å; K122-G124 VanDerWaalsContact C-N 3.31Å; K122-G124 PolarHBondContact O-N 2.7Å; K122-Q125 PolarHBondContact O-N 3.12Å; K122-E126 WeakPolarHBondContact O-CB 3.49Å; K122-E126 WeakPolarHBondContact O-CG 3.5Å; K122-E126 PolarHBondContact O-N 3.1Å
123I80.3Confident72Confident72 Ų72118.7 Ų118.737%0.36963%0.631SS.*Hα-helixtrans-64.7-37.3177.2-69.1164.6000111.2L119 L120 E126 K127L119-I123 HydrophobicContact CG-CD1 4.02Å; L119-I123 WeakPolarHBondContact O-CB 3.28Å; L119-I123 WeakPolarHBondContact O-CD1 3.43Å; L119-I123 VanDerWaalsContact O-CG1 3.23Å; L119-I123 WeakPolarHBondContact O-CG1 3.21Å; L119-I123 PolarHBondContact O-N 3.39Å; L120-I123 PolarHBondContact O-N 3.43Å; I123-E126 PolarHBondContact O-N 3.47Å; I123-K127 WeakPolarHBondContact O-CG 3.46Å; I123-K127 PolarHBondContact O-N 3.27Å
124G72.5Confident69.5Low47 Ų47118.9 Ų118.949%0.48564%0.641SS.*Hα-helixtrans-67.9-41.7177.500000112.3L120 D121 K122 E126 K127L120-G124 PolarHBondContact O-N 3.47Å; D121-G124 PolarHBondContact O-N 3.12Å; K122-G124 VanDerWaalsContact C-N 3.31Å; K122-G124 PolarHBondContact O-N 2.7Å; G124-E126 VanDerWaalsContact C-N 3.32Å; G124-K127 PolarHBondContact O-N 2.98Å
125Q67.7Low67.2Low142 Ų142119.5 Ų119.566%0.66465%0.646SS**Hα-helixtrans-66.7-33.8173.7-70.6-177.43100111.9D121 K122D121-Q125 WeakPolarHBondContact O-CB 3.41Å; D121-Q125 VanDerWaalsContact O-CG 3.3Å; D121-Q125 WeakPolarHBondContact O-CG 3.2Å; D121-Q125 PolarHBondContact O-N 3.16Å; D121-Q125 PolarHBondContact OD2-NE2 3.25Å; K122-Q125 PolarHBondContact O-N 3.12Å
126E62.3Low65.3Low165 Ų165117.9 Ų117.977%0.77165%0.649SS**Hα-helixtrans-77.2-17.7176.8-76.7-176.7161.800113.8K122 I123 G124K122-E126 WeakPolarHBondContact O-CB 3.49Å; K122-E126 WeakPolarHBondContact O-CG 3.5Å; K122-E126 PolarHBondContact O-N 3.1Å; I123-E126 PolarHBondContact O-N 3.47Å; G124-E126 VanDerWaalsContact C-N 3.32Å
127K49.7Very low64.4Low161 Ų161116.1 Ų116.170%0.765%0.646SS**SBendtrans-105.9100.8178-67.5-163.6178.8-170.10112.1I123 G124I123-K127 WeakPolarHBondContact O-CG 3.46Å; I123-K127 PolarHBondContact O-N 3.27Å; G124-K127 PolarHBondContact O-N 2.98Å
128L45.4Very low63.7Low177 Ų177111.5 Ų111.593%0.92764%0.64SS**SBendtrans1002.3145-155.362.3000119.9
129S45.3Very low63.4Low95 Ų95114.2 Ų114.266%0.66465%0.646SS**SBendtrans-137.7108.4175.9-165.90000114.2
130T45.7Very low63.4Low116 Ų116111.4 Ų111.471%0.71263%0.634SS**  trans69.6116.6171.269.60000115.3S132T130-S132 VanDerWaalsContact C-N 3.29Å; T130-S132 PolarHBondContact O-N 3.36Å
131P44.1Very low63.3Low129 Ų129114 Ų11484%0.83864%0.635SS**  trans-61.4101.1162.226.4-29.9000106.5A133P131-A133 PolarHBondContact O-N 3.44Å
132S47.3Very low63.7Low104 Ų104111.7 Ų111.773%0.72763%0.625SS**  trans-54.4116.4173.4-173.20000107.2T130 C134T130-S132 VanDerWaalsContact C-N 3.29Å; T130-S132 PolarHBondContact O-N 3.36Å; S132-C134 PolarHBondContact O-N 2.96Å
133A43.5Very low63.8Low88 Ų88111.5 Ų111.573%0.72763%0.626SS**THydrogen-bonded Turntrans-73.844.5-161.600000114P131P131-A133 PolarHBondContact O-N 3.44Å
134C43Very low64Low115 Ų115114.1 Ų114.178%0.77763%0.634SS**THydrogen-bonded Turntrans-132.97.7-179.2-148.20000116.9S132S132-C134 PolarHBondContact O-N 2.96Å
135E48Very low64.9Low146 Ų146116.5 Ų116.568%0.68263%0.634SS**SBendtrans-104.415.1159.9-72-85.8141.500111.4D137 K144E135-D137 PolarHBondContact O-N 3.41Å; E135-K144 IonicContact OE2-NZ 3.74Å
136S52.3Low66.2Low98 Ų98115.6 Ų115.669%0.68563%0.625SS**  trans-70.88.8-174.168.90000114.9V138S136-V138 PolarHBondContact O-N 2.89Å; S136-V138 VanDerWaalsContact O-N 3.14Å
137D76.1Confident67.4Low100 Ų100112.7 Ų112.754%0.53561%0.611SS.*  trans-81.8100.1175.1-159.50.9000109.7E135 Q139 S140E135-D137 PolarHBondContact O-N 3.41Å; D137-Q139 PolarHBondContact O-N 2.96Å; D137-Q139 WeakPolarHBondContact OD1-CB 3.35Å; D137-Q139 VanDerWaalsContact OD1-CG 3.26Å; D137-Q139 WeakPolarHBondContact OD1-CG 3.49Å; D137-Q139 PolarHBondContact OD1-N 3.46Å; D137-S140 PolarHBondContact O-N 2.91Å; D137-S140 PolarHBondContact O-OG 3.31Å
138V80.4Confident69.2Low100 Ų100112.2 Ų112.261%0.60661%0.609SS**Hα-helixtrans-47.4-29.5174177.10000111.1S136 S140 W141 V142S136-V138 PolarHBondContact O-N 2.89Å; S136-V138 VanDerWaalsContact O-N 3.14Å; V138-S140 PolarHBondContact O-N 2.95Å; V138-W141 PolarHBondContact O-N 2.96Å; V138-V142 HydrophobicContact CG1-CG2 4.1Å; V138-V142 WeakPolarHBondContact O-CB 3.24Å; V138-V142 WeakPolarHBondContact O-CG2 3.25Å; V138-V142 PolarHBondContact O-N 2.92Å
139Q83.8Confident71.5Confident118 Ų118109.4 Ų109.455%0.55159%0.591SS**Hα-helixtrans-56.8-46174.6-63-88-25.400112.7D137 W141 V142 E143D137-Q139 PolarHBondContact O-N 2.96Å; D137-Q139 WeakPolarHBondContact OD1-CB 3.35Å; D137-Q139 VanDerWaalsContact OD1-CG 3.26Å; D137-Q139 WeakPolarHBondContact OD1-CG 3.49Å; D137-Q139 PolarHBondContact OD1-N 3.46Å; Q139-W141 PolarHBondContact O-N 3.47Å; Q139-V142 CarbonylContact O-C 3.57Å; Q139-V142 PolarHBondContact O-N 3.35Å; Q139-E143 WeakPolarHBondContact O-CG 3.24Å; Q139-E143 PolarHBondContact O-N 3.41Å
140S85.7Confident73.9Confident34 Ų34113.2 Ų113.224%0.23859%0.591CS.*Hα-helixtrans-70.6-33.2-175.775.20000112.4D137 V138 K144D137-S140 PolarHBondContact O-N 2.91Å; D137-S140 PolarHBondContact O-OG 3.31Å; V138-S140 PolarHBondContact O-N 2.95Å; S140-K144 WeakPolarHBondContact O-CG 3.37Å; S140-K144 PolarHBondContact O-N 3.43Å
141W85.6Confident76Confident172 Ų172112.1 Ų112.165%0.65258%0.58SS**Hα-helixtrans-67.6-45.9170.6179.274.7000110.8V138 Q139 E143 K144 M145V138-W141 PolarHBondContact O-N 2.96Å; Q139-W141 PolarHBondContact O-N 3.47Å; W141-E143 VanDerWaalsContact C-N 3.26Å; W141-E143 PolarHBondContact O-N 3Å; W141-K144 PolarHBondContact O-N 2.91Å; W141-M145 HydrophobicContact CZ2-CG 4.45Å; W141-M145 WeakPolarHBondContact O-CB 3.42Å; W141-M145 PolarHBondContact O-N 3.46Å
142V92.6Very high78.1Confident52 Ų52112.6 Ų112.632%0.31557%0.571SS.*Hα-helixtrans-64.1-30.7177.3177.10000111.6V138 Q139 R146V138-V142 HydrophobicContact CG1-CG2 4.1Å; V138-V142 WeakPolarHBondContact O-CB 3.24Å; V138-V142 WeakPolarHBondContact O-CG2 3.25Å; V138-V142 PolarHBondContact O-N 2.92Å; Q139-V142 CarbonylContact O-C 3.57Å; Q139-V142 PolarHBondContact O-N 3.35Å; V142-R146 VanDerWaalsContact O-CB 3.32Å; V142-R146 WeakPolarHBondContact O-CB 3.35Å; V142-R146 VanDerWaalsContact O-CG 3.29Å; V142-R146 WeakPolarHBondContact O-CG 3.39Å; V142-R146 PolarHBondContact O-N 3.3Å; V142-R146 PolarHBondContact O-NE 3.47Å; V142-R146 VanDerWaalsContact O-NE 3.09Å
143E88.7Confident80.4Confident111 Ų111113.6 Ų113.652%0.51956%0.562SS.*Hα-helixtrans-70.2-48.2171.5-74.7175.6178.200112.5Q139 W141 M145 R146 E147Q139-E143 WeakPolarHBondContact O-CG 3.24Å; Q139-E143 PolarHBondContact O-N 3.41Å; W141-E143 VanDerWaalsContact C-N 3.26Å; W141-E143 PolarHBondContact O-N 3Å; E143-M145 PolarHBondContact O-N 2.96Å; E143-R146 PolarHBondContact O-N 3.41Å; E143-E147 PolarHBondContact O-N 3.04Å
144K84.7Confident82.8Confident126 Ų126113.7 Ų113.755%0.54855%0.548SS..Hα-helixtrans-61-33.6173.9-76171.3173.7163.40112.1E135 S140 W141 K148E135-K144 IonicContact OE2-NZ 3.74Å; S140-K144 WeakPolarHBondContact O-CG 3.37Å; S140-K144 PolarHBondContact O-N 3.43Å; W141-K144 PolarHBondContact O-N 2.91Å; K144-K148 WeakPolarHBondContact O-CG 3.23Å; K144-K148 PolarHBondContact O-N 3.41Å; K144-K148 VanDerWaalsContact O-N 3.11Å
145M90.4Very high85Confident98 Ų98111 Ų11148%0.48353%0.533SS..Hα-helixtrans-71.6-45.3177.1-152-71.7-150.100110.6W141 E143 E147 K148 E149W141-M145 HydrophobicContact CZ2-CG 4.45Å; W141-M145 WeakPolarHBondContact O-CB 3.42Å; W141-M145 PolarHBondContact O-N 3.46Å; E143-M145 PolarHBondContact O-N 2.96Å; M145-E147 VanDerWaalsContact C-N 3.33Å; M145-E147 PolarHBondContact O-N 2.92Å; M145-K148 PolarHBondContact O-N 3.28Å; M145-E149 PolarHBondContact O-N 3.17Å
146R95.3Very high87.2Confident123 Ų123110.3 Ų110.346%0.46453%0.53SS..Hα-helixtrans-59.7-37.8171.7-82.8178.6-81.4169.5-9.4113.2V142 E143 E149 R150V142-R146 VanDerWaalsContact O-CB 3.32Å; V142-R146 WeakPolarHBondContact O-CB 3.35Å; V142-R146 VanDerWaalsContact O-CG 3.29Å; V142-R146 WeakPolarHBondContact O-CG 3.39Å; V142-R146 PolarHBondContact O-N 3.3Å; V142-R146 PolarHBondContact O-NE 3.47Å; V142-R146 VanDerWaalsContact O-NE 3.09Å; E143-R146 PolarHBondContact O-N 3.41Å; R146-E149 PolarHBondContact O-N 2.96Å; R146-R150 PolarHBondContact O-N 3.14Å
147E88.9Confident89Confident103 Ų103111.2 Ų111.248%0.48152%0.523SS..Hα-helixtrans-68.9-42.3177.1-174.658.5-157.800111.7E143 M145 E149 R150 I151E143-E147 PolarHBondContact O-N 3.04Å; M145-E147 VanDerWaalsContact C-N 3.33Å; M145-E147 PolarHBondContact O-N 2.92Å; E147-E149 VanDerWaalsContact C-N 3.3Å; E147-E149 PolarHBondContact O-N 3.07Å; E147-R150 PolarHBondContact O-N 3.04Å; E147-I151 HydrophobicContact CG-CD1 4.16Å; E147-I151 WeakPolarHBondContact O-CG1 3.22Å; E147-I151 PolarHBondContact O-N 2.93Å
148K87Confident89.5Confident152 Ų152113.4 Ų113.466%0.66152%0.524SS*.Hα-helixtrans-60.4-40.8172.7-76.8-178.5-179.9-176.30111.9K144 M145 I151 Q152K144-K148 WeakPolarHBondContact O-CG 3.23Å; K144-K148 PolarHBondContact O-N 3.41Å; K144-K148 VanDerWaalsContact O-N 3.11Å; M145-K148 PolarHBondContact O-N 3.28Å; K148-I151 PolarHBondContact O-N 3.24Å; K148-Q152 WeakPolarHBondContact O-CB 3.48Å; K148-Q152 PolarHBondContact O-N 2.94Å
149E93.3Very high89.9Confident118 Ų118111.4 Ų111.455%0.55152%0.518SS*.Hα-helixtrans-64.1-42.7175.8-170.6-176.3-177.800111.7M145 R146 E147 I151 Q152 K153M145-E149 PolarHBondContact O-N 3.17Å; R146-E149 PolarHBondContact O-N 2.96Å; E147-E149 VanDerWaalsContact C-N 3.3Å; E147-E149 PolarHBondContact O-N 3.07Å; E149-I151 PolarHBondContact O-N 3.28Å; E149-Q152 PolarHBondContact O-N 2.98Å; E149-K153 VanDerWaalsContact O-CB 3.26Å; E149-K153 WeakPolarHBondContact O-CB 3.33Å; E149-K153 PolarHBondContact O-N 3.42Å
150R94.9Very high90.2Very high175 Ų175113 Ų11366%0.6652%0.524SS*.Hα-helixtrans-58.9-45.3172.7-91.5-171.763.582.13.9112.4R146 E147 Q154R146-R150 PolarHBondContact O-N 3.14Å; E147-R150 PolarHBondContact O-N 3.04Å; R150-Q154 WeakPolarHBondContact O-CB 3.45Å; R150-Q154 PolarHBondContact O-N 3.46Å
151I89.8Confident90.4Very high93 Ų93116.7 Ų116.748%0.47754%0.54SS..Hα-helixtrans-65.8-43.6179.3-67.2166.5000110.3E147 K148 E149 Q154 A155E147-I151 HydrophobicContact CG-CD1 4.16Å; E147-I151 WeakPolarHBondContact O-CG1 3.22Å; E147-I151 PolarHBondContact O-N 2.93Å; K148-I151 PolarHBondContact O-N 3.24Å; E149-I151 PolarHBondContact O-N 3.28Å; I151-Q154 PolarHBondContact O-N 2.94Å; I151-A155 WeakPolarHBondContact O-CB 3.32Å; I151-A155 PolarHBondContact O-N 3.25Å
152Q89.1Confident90.3Very high138 Ų138114.2 Ų114.265%0.64554%0.539SS*.Hα-helixtrans-63.3-45.1177.5-176.8169.6200111.4K148 E149 Q154 A155 E156K148-Q152 WeakPolarHBondContact O-CB 3.48Å; K148-Q152 PolarHBondContact O-N 2.94Å; E149-Q152 PolarHBondContact O-N 2.98Å; Q152-Q154 VanDerWaalsContact C-N 3.35Å; Q152-Q154 PolarHBondContact O-N 3.38Å; Q152-A155 WeakPolarHBondContact O-CB 3.42Å; Q152-A155 PolarHBondContact O-N 2.92Å; Q152-E156 WeakPolarHBondContact O-CB 3.38Å; Q152-E156 PolarHBondContact O-N 3.26Å
153K94.9Very high89.8Confident125 Ų125114.8 Ų114.854%0.54355%0.545SS..Hα-helixtrans-62.6-40.7175.4-174.2174.8179.8175.20112E149 A155 E156 E157E149-K153 VanDerWaalsContact O-CB 3.26Å; E149-K153 WeakPolarHBondContact O-CB 3.33Å; E149-K153 PolarHBondContact O-N 3.42Å; K153-A155 VanDerWaalsContact C-N 3.32Å; K153-A155 PolarHBondContact O-N 3.49Å; K153-E156 PolarHBondContact O-N 2.89Å; K153-E157 VanDerWaalsContact CE-OE1 3.27Å; K153-E157 WeakPolarHBondContact CE-OE1 3.47Å; K153-E157 HydrophobicContact CG-CG 4.48Å; K153-E157 WeakPolarHBondContact O-CB 3.33Å; K153-E157 VanDerWaalsContact O-CG 3.31Å; K153-E157 WeakPolarHBondContact O-CG 3.39Å; K153-E157 PolarHBondContact O-N 3Å
154Q93.8Very high89.9Confident91 Ų91114 Ų11443%0.42554%0.541SS..Hα-helixtrans-66.1-35.5175.5-164.8-17427.100112.1R150 I151 Q152 R158R150-Q154 WeakPolarHBondContact O-CB 3.45Å; R150-Q154 PolarHBondContact O-N 3.46Å; I151-Q154 PolarHBondContact O-N 2.94Å; Q152-Q154 VanDerWaalsContact C-N 3.35Å; Q152-Q154 PolarHBondContact O-N 3.38Å; Q154-R158 WeakPolarHBondContact O-CB 3.4Å; Q154-R158 WeakPolarHBondContact O-CG 3.19Å; Q154-R158 PolarHBondContact O-N 2.84Å; Q154-R158 VanDerWaalsContact O-N 3.08Å
155A90.2Very high89.7Confident58 Ų58112 Ų11248%0.47954%0.536SS..Hα-helixtrans-69.6-40174.500000111.6I151 Q152 K153 R158 A159I151-A155 WeakPolarHBondContact O-CB 3.32Å; I151-A155 PolarHBondContact O-N 3.25Å; Q152-A155 WeakPolarHBondContact O-CB 3.42Å; Q152-A155 PolarHBondContact O-N 2.92Å; K153-A155 VanDerWaalsContact C-N 3.32Å; K153-A155 PolarHBondContact O-N 3.49Å; A155-R158 PolarHBondContact O-N 3.46Å; A155-A159 WeakPolarHBondContact O-CB 3.06Å; A155-A159 PolarHBondContact O-N 3.04Å
156E92.8Very high89.1Confident132 Ų132111.3 Ų111.362%0.61753%0.534SS*.Hα-helixtrans-68.3-41.8175.9-172.5179.2174.800112Q152 K153 R158 A159 K160Q152-E156 WeakPolarHBondContact O-CB 3.38Å; Q152-E156 PolarHBondContact O-N 3.26Å; K153-E156 PolarHBondContact O-N 2.89Å; E156-R158 VanDerWaalsContact C-N 3.31Å; E156-R158 PolarHBondContact O-N 2.78Å; E156-A159 PolarHBondContact O-N 3.42Å; E156-K160 VanDerWaalsContact O-CB 3.3Å; E156-K160 WeakPolarHBondContact O-CB 3.5Å; E156-K160 PolarHBondContact O-N 3.45Å
157E92.2Very high88.3Confident116 Ų116110.1 Ų110.154%0.54254%0.537SS..Hα-helixtrans-60.7-40.8172.2-76.6172.9-176.200111.2K153 L161K153-E157 VanDerWaalsContact CE-OE1 3.27Å; K153-E157 WeakPolarHBondContact CE-OE1 3.47Å; K153-E157 HydrophobicContact CG-CG 4.48Å; K153-E157 WeakPolarHBondContact O-CB 3.33Å; K153-E157 VanDerWaalsContact O-CG 3.31Å; K153-E157 WeakPolarHBondContact O-CG 3.39Å; K153-E157 PolarHBondContact O-N 3Å; E157-L161 WeakPolarHBondContact O-CB 3.37Å; E157-L161 PolarHBondContact O-N 3.19Å
158R84.9Confident87.8Confident146 Ų146112 Ų11255%0.55155%0.546SS*.Hα-helixtrans-65.1-42.9173-81.7-169.6169.496.62.2112.3Q154 A155 E156 L161 L162Q154-R158 WeakPolarHBondContact O-CB 3.4Å; Q154-R158 WeakPolarHBondContact O-CG 3.19Å; Q154-R158 PolarHBondContact O-N 2.84Å; Q154-R158 VanDerWaalsContact O-N 3.08Å; A155-R158 PolarHBondContact O-N 3.46Å; E156-R158 VanDerWaalsContact C-N 3.31Å; E156-R158 PolarHBondContact O-N 2.78Å; R158-L161 PolarHBondContact O-N 3.31Å; R158-L162 WeakPolarHBondContact O-CB 3.38Å; R158-L162 WeakPolarHBondContact O-CD1 3.47Å; R158-L162 PolarHBondContact O-N 2.84Å
159A88.9Confident86.8Confident58 Ų58109.4 Ų109.448%0.47954%0.539SS..Hα-helixtrans-67-41.817900000111.7A155 E156 L162 S163A155-A159 WeakPolarHBondContact O-CB 3.06Å; A155-A159 PolarHBondContact O-N 3.04Å; E156-A159 PolarHBondContact O-N 3.42Å; A159-L162 WeakPolarHBondContact O-CB 3.39Å; A159-L162 PolarHBondContact O-N 3.17Å; A159-S163 PolarHBondContact O-N 3.03Å
160K89.7Confident85.4Confident153 Ų153106.2 Ų106.267%0.66553%0.532SS*.Hα-helixtrans-65.5-42.7174.6-171.8-174.4178.5-170.50111.4E156 L162 S163 E164E156-K160 VanDerWaalsContact O-CB 3.3Å; E156-K160 WeakPolarHBondContact O-CB 3.5Å; E156-K160 PolarHBondContact O-N 3.45Å; K160-L162 VanDerWaalsContact C-N 3.28Å; K160-L162 PolarHBondContact O-N 2.88Å; K160-S163 PolarHBondContact O-N 3.31Å; K160-E164 VanDerWaalsContact O-CB 3.29Å; K160-E164 WeakPolarHBondContact O-CB 3.33Å; K160-E164 PolarHBondContact O-N 3.12Å
161L92Very high83.8Confident110 Ų110101.4 Ų101.458%0.57652%0.522SS*.Hα-helixtrans-60.7-40.4173.7-173106.9000110.9E157 R158 I165E157-L161 WeakPolarHBondContact O-CB 3.37Å; E157-L161 PolarHBondContact O-N 3.19Å; R158-L161 PolarHBondContact O-N 3.31Å; L161-I165 HydrophobicContact CD2-CD1 3.75Å; L161-I165 HydrophobicContact CG-CD1 3.9Å; L161-I165 VanDerWaalsContact O-CB 3.31Å; L161-I165 WeakPolarHBondContact O-CB 3.4Å; L161-I165 WeakPolarHBondContact O-CD1 3.42Å; L161-I165 WeakPolarHBondContact O-CG1 3.38Å; L161-I165 PolarHBondContact O-N 3.35Å
162L82Confident82.5Confident120 Ų12099 Ų9963%0.62851%0.514SS*.Hα-helixtrans-65.3-42.5174.7-104.1129.6000112.6R158 A159 K160 I165 D166R158-L162 WeakPolarHBondContact O-CB 3.38Å; R158-L162 WeakPolarHBondContact O-CD1 3.47Å; R158-L162 PolarHBondContact O-N 2.84Å; A159-L162 WeakPolarHBondContact O-CB 3.39Å; A159-L162 PolarHBondContact O-N 3.17Å; K160-L162 VanDerWaalsContact C-N 3.28Å; K160-L162 PolarHBondContact O-N 2.88Å; L162-I165 PolarHBondContact O-N 2.93Å; L162-D166 WeakPolarHBondContact O-CB 3.48Å; L162-D166 PolarHBondContact O-N 3.38Å
163S82.6Confident81.4Confident64 Ų6499.4 Ų99.445%0.44852%0.516SS..Hα-helixtrans-64.9-43.3176-168.90000111.5A159 K160 I165 D166 D167A159-S163 PolarHBondContact O-N 3.03Å; K160-S163 PolarHBondContact O-N 3.31Å; S163-I165 VanDerWaalsContact C-N 3.34Å; S163-I165 PolarHBondContact O-N 3.39Å; S163-D166 CarbonylContact O-C 3.22Å; S163-D166 WeakPolarHBondContact O-CB 3.46Å; S163-D166 PolarHBondContact O-N 2.9Å; S163-D166 VanDerWaalsContact O-N 3.14Å; S163-D167 VanDerWaalsContact O-CG 3.25Å; S163-D167 PolarHBondContact O-N 3.16Å
164E90Very high79.8Confident94 Ų9499 Ų9944%0.43951%0.514SS..Hα-helixtrans-64.7-39.2175.4178.369.3-14400111.3K160 D166 D167 Q168K160-E164 VanDerWaalsContact O-CB 3.29Å; K160-E164 WeakPolarHBondContact O-CB 3.33Å; K160-E164 PolarHBondContact O-N 3.12Å; E164-D166 VanDerWaalsContact C-N 3.33Å; E164-D167 PolarHBondContact O-N 2.99Å; E164-Q168 VanDerWaalsContact O-CB 3.29Å; E164-Q168 WeakPolarHBondContact O-CB 3.25Å; E164-Q168 WeakPolarHBondContact O-CG 3.12Å; E164-Q168 PolarHBondContact O-N 3.26Å; E164-Q168 PolarHBondContact OE1-NE2 3.23Å
165I80.8Confident78.2Confident84 Ų8497.7 Ų97.743%0.43151%0.512SS..Hα-helixtrans-64.6-38.5172.3-72165.2000110.4L161 L162 S163 L169L161-I165 HydrophobicContact CD2-CD1 3.75Å; L161-I165 HydrophobicContact CG-CD1 3.9Å; L161-I165 VanDerWaalsContact O-CB 3.31Å; L161-I165 WeakPolarHBondContact O-CB 3.4Å; L161-I165 WeakPolarHBondContact O-CD1 3.42Å; L161-I165 WeakPolarHBondContact O-CG1 3.38Å; L161-I165 PolarHBondContact O-N 3.35Å; L162-I165 PolarHBondContact O-N 2.93Å; S163-I165 VanDerWaalsContact C-N 3.34Å; S163-I165 PolarHBondContact O-N 3.39Å; I165-L169 WeakPolarHBondContact O-CA 3.26Å; I165-L169 WeakPolarHBondContact O-CB 3.28Å; I165-L169 PolarHBondContact O-N 3.4Å
166D78.5Confident76.8Confident85 Ų85101.2 Ų101.246%0.45552%0.519SS..Hα-helixtrans-68.3-38177-164.861000112.2L162 S163 E164 L169L162-D166 WeakPolarHBondContact O-CB 3.48Å; L162-D166 PolarHBondContact O-N 3.38Å; S163-D166 CarbonylContact O-C 3.22Å; S163-D166 WeakPolarHBondContact O-CB 3.46Å; S163-D166 PolarHBondContact O-N 2.9Å; S163-D166 VanDerWaalsContact O-N 3.14Å; E164-D166 VanDerWaalsContact C-N 3.33Å; D166-L169 CarbonylContact O-C 3.6Å; D166-L169 PolarHBondContact O-N 3.01Å
167D78.6Confident75.2Confident98 Ų9897.8 Ų97.852%0.52451%0.509SS..Hα-helixtrans-70.6-41.9175.4-66.6-29.2000111.4S163 E164 L169 A170S163-D167 VanDerWaalsContact O-CG 3.25Å; S163-D167 PolarHBondContact O-N 3.16Å; E164-D167 PolarHBondContact O-N 2.99Å; D167-L169 VanDerWaalsContact C-N 3.32Å; D167-A170 PolarHBondContact O-N 3.29Å
168Q78.7Confident73.6Confident141 Ų14198.8 Ų98.866%0.65951%0.508SS*.Hα-helixtrans-67-36.1174.1-74.3178.526.800111.9E164 A170E164-Q168 VanDerWaalsContact O-CB 3.29Å; E164-Q168 WeakPolarHBondContact O-CB 3.25Å; E164-Q168 WeakPolarHBondContact O-CG 3.12Å; E164-Q168 PolarHBondContact O-N 3.26Å; E164-Q168 PolarHBondContact OE1-NE2 3.23Å; Q168-A170 PolarHBondContact O-N 3.06Å; Q168-A170 VanDerWaalsContact O-N 3.17Å
169L66.4Low72.3Confident99 Ų9997.5 Ų97.552%0.51851%0.512SS..SBendtrans-88.965.8172.1-156.2132.6000106.6I165 D166 D167 V171I165-L169 WeakPolarHBondContact O-CA 3.26Å; I165-L169 WeakPolarHBondContact O-CB 3.28Å; I165-L169 PolarHBondContact O-N 3.4Å; D166-L169 CarbonylContact O-C 3.6Å; D166-L169 PolarHBondContact O-N 3.01Å; D167-L169 VanDerWaalsContact C-N 3.32Å; L169-V171 HydrophobicContact CD2-CB 3.83Å; L169-V171 HydrophobicContact CD2-CG2 3.3Å; L169-V171 HydrophobicContact CG-CG2 4Å; L169-V171 WeakPolarHBondContact O-CA 3.48Å; L169-V171 WeakPolarHBondContact O-CB 3.49Å; L169-V171 PolarHBondContact O-N 2.62Å
170A63Low70.9Confident50 Ų50101 Ų10141%0.41352%0.521SS..THydrogen-bonded Turntrans-54.523.1-179.800000116.1D167 Q168 S172 E173 F174D167-A170 PolarHBondContact O-N 3.29Å; Q168-A170 PolarHBondContact O-N 3.06Å; Q168-A170 VanDerWaalsContact O-N 3.17Å; A170-S172 PolarHBondContact O-N 3.24Å; A170-E173 PolarHBondContact O-N 3.4Å; A170-F174 WeakPolarHBondContact O-CB 3.48Å; A170-F174 PolarHBondContact O-N 3.47Å
171V61.2Low69.6Low74 Ų74101.1 Ų101.145%0.44852%0.524SS..Hα-helixtrans-51.4-32.4158.1-179.80000110.9L169 V175L169-V171 HydrophobicContact CD2-CB 3.83Å; L169-V171 HydrophobicContact CD2-CG2 3.3Å; L169-V171 HydrophobicContact CG-CG2 4Å; L169-V171 WeakPolarHBondContact O-CA 3.48Å; L169-V171 WeakPolarHBondContact O-CB 3.49Å; L169-V171 PolarHBondContact O-N 2.62Å; V171-V175 HydrophobicContact CG1-CG2 3.6Å; V171-V175 WeakPolarHBondContact O-CA 3.45Å; V171-V175 WeakPolarHBondContact O-CB 3.37Å; V171-V175 WeakPolarHBondContact O-CG2 3.38Å; V171-V175 PolarHBondContact O-N 3.03Å
172S63.5Low68.1Low44 Ų44100.8 Ų100.831%0.30852%0.523SS..Hα-helixtrans-61.6-53.8174.958.40000112.3A170 F174 V175 E176A170-S172 PolarHBondContact O-N 3.24Å; S172-F174 PolarHBondContact O-N 2.96Å; S172-V175 PolarHBondContact O-N 2.99Å; S172-E176 WeakPolarHBondContact O-CB 3.3Å; S172-E176 PolarHBondContact O-N 3.36Å
173E64.4Low67.2Low146 Ų146101.5 Ų101.568%0.68253%0.527SS*.Hα-helixtrans-65.1-39.3177.1-172-179.2178.700112.1A170 S177A170-E173 PolarHBondContact O-N 3.4Å; E173-S177 WeakPolarHBondContact O-CB 3.31Å; E173-S177 PolarHBondContact O-N 3.07Å; E173-S177 PolarHBondContact O-OG 3.04Å
174F60.9Low66.9Low116 Ų116106.9 Ų106.951%0.50954%0.543SS..Hα-helixtrans-68.5-34.5176.6-172-104.5000112.5A170 S172 S177 R178A170-F174 WeakPolarHBondContact O-CB 3.48Å; A170-F174 PolarHBondContact O-N 3.47Å; S172-F174 PolarHBondContact O-N 2.96Å; F174-S177 PolarHBondContact O-OG 2.93Å; F174-R178 WeakPolarHBondContact O-CB 3.34Å; F174-R178 PolarHBondContact O-N 3.13Å; F174-R178 VanDerWaalsContact O-N 3.12Å
175V61.3Low66.5Low63 Ų63110.1 Ų110.138%0.38256%0.555SS.*Hα-helixtrans-75.4-45.6177.11690000109.9V171 S172 S177 R178 L179V171-V175 HydrophobicContact CG1-CG2 3.6Å; V171-V175 WeakPolarHBondContact O-CA 3.45Å; V171-V175 WeakPolarHBondContact O-CB 3.37Å; V171-V175 WeakPolarHBondContact O-CG2 3.38Å; V171-V175 PolarHBondContact O-N 3.03Å; S172-V175 PolarHBondContact O-N 2.99Å; V175-S177 PolarHBondContact O-N 3.39Å; V175-R178 PolarHBondContact O-N 2.98Å; V175-L179 HydrophobicContact CG1-CD1 3.6Å; V175-L179 HydrophobicContact CG1-CG 3.92Å; V175-L179 WeakPolarHBondContact O-CB 3.46Å; V175-L179 WeakPolarHBondContact O-CG 3.31Å; V175-L179 PolarHBondContact O-N 3.38Å
176E61.5Low66.7Low133 Ų133116 Ų11662%0.62157%0.573SS**Hα-helixtrans-60.8-44.3177.5-80.5-178.5152.600111.8S172 R178 L179 I180S172-E176 WeakPolarHBondContact O-CB 3.3Å; S172-E176 PolarHBondContact O-N 3.36Å; E176-R178 PolarHBondContact O-N 2.92Å; E176-L179 PolarHBondContact O-N 3.29Å; E176-I180 WeakPolarHBondContact O-CD1 3.32Å; E176-I180 VanDerWaalsContact O-CG1 3.31Å; E176-I180 WeakPolarHBondContact O-CG1 3.17Å; E176-I180 PolarHBondContact O-N 3.5Å; E176-I180 VanDerWaalsContact O-N 3.16Å
177S59.1Low67.2Low60 Ų60117.9 Ų117.942%0.4258%0.577SS.*Hα-helixtrans-66.4-33.6175.857.20000113.2E173 F174 V175E173-S177 WeakPolarHBondContact O-CB 3.31Å; E173-S177 PolarHBondContact O-N 3.07Å; E173-S177 PolarHBondContact O-OG 3.04Å; F174-S177 PolarHBondContact O-OG 2.93Å; V175-S177 PolarHBondContact O-N 3.39Å
178R56.7Low67.6Low136 Ų136117 Ų11751%0.51358%0.577SS.*Hα-helixtrans-73.1-35.4172.2-123.888.1-173.2-93.42113.1F174 V175 E176 I180 Q181 N182F174-R178 WeakPolarHBondContact O-CB 3.34Å; F174-R178 PolarHBondContact O-N 3.13Å; F174-R178 VanDerWaalsContact O-N 3.12Å; V175-R178 PolarHBondContact O-N 2.98Å; E176-R178 PolarHBondContact O-N 2.92Å; R178-I180 VanDerWaalsContact C-N 3.27Å; R178-I180 PolarHBondContact O-N 3.26Å; R178-Q181 PolarHBondContact O-N 2.98Å; R178-N182 PolarHBondContact O-N 3.48Å
179L58.4Low68.1Low120 Ų120115 Ų11563%0.62857%0.571SS**Hα-helixtrans-64.8-35.5179.9-76.5173.7000110.5V175 E176V175-L179 HydrophobicContact CG1-CD1 3.6Å; V175-L179 HydrophobicContact CG1-CG 3.92Å; V175-L179 WeakPolarHBondContact O-CB 3.46Å; V175-L179 WeakPolarHBondContact O-CG 3.31Å; V175-L179 PolarHBondContact O-N 3.38Å; E176-L179 PolarHBondContact O-N 3.29Å
180I59.2Low69.2Low130 Ų130115 Ų11567%0.66757%0.572SS**Hα-helixtrans-70.1-31.5175.7-60.7160.6000111.9E176 R178E176-I180 WeakPolarHBondContact O-CD1 3.32Å; E176-I180 VanDerWaalsContact O-CG1 3.31Å; E176-I180 WeakPolarHBondContact O-CG1 3.17Å; E176-I180 PolarHBondContact O-N 3.5Å; E176-I180 VanDerWaalsContact O-N 3.16Å; R178-I180 VanDerWaalsContact C-N 3.27Å; R178-I180 PolarHBondContact O-N 3.26Å
181Q62.5Low70.5Confident156 Ų156116.2 Ų116.273%0.72957%0.571SS**Hα-helixtrans-80.2-16.6-176.9-71.3-154.4-28.800114.6R178R178-Q181 PolarHBondContact O-N 2.98Å
182N61.8Low71.9Confident103 Ų103114.8 Ų114.855%0.55157%0.566SS**  trans-117.367.6-175.7-68.7-31000111.6R178 K184R178-N182 PolarHBondContact O-N 3.48Å; N182-K184 PolarHBondContact O-N 3.5Å
183D63Low73.1Confident135 Ų135114.7 Ų114.772%0.72257%0.572SS**  trans-64.516167.6-80.7-31.8000114.1K185D183-K185 PolarHBondContact O-N 2.74Å
184K74.8Confident74.5Confident178 Ų178109.8 Ų109.877%0.77455%0.551SS**  trans-73.778.3171.8-64.8-175.4-175.7178.60108.8N182 Y186N182-K184 PolarHBondContact O-N 3.5Å; K184-Y186 PolarHBondContact O-N 2.93Å
185K81.8Confident76Confident161 Ų161108 Ų10870%0.754%0.541SS*.PPolyproline II helixtrans-62.2119.3170.8-62.9-179.9-176.7-178.20108.7D183 K187D183-K185 PolarHBondContact O-N 2.74Å; K185-K187 PolarHBondContact O-N 2.93Å
186Y86.1Confident77.6Confident208 Ų208105.1 Ų105.182%0.81652%0.523SS*.PPolyproline II helixtrans-49.4135.3174.6-65.3-79000111.1K184 D190K184-Y186 PolarHBondContact O-N 2.93Å; Y186-D190 WeakPolarHBondContact CA-OD2 3.48Å
187K87.5Confident79Confident124 Ų12499.8 Ų99.854%0.53950%0.498SS..PPolyproline II helixtrans-100.7154.7175.3-60.7-61.8168.3-172.80109.9K185 N189 D190K185-K187 PolarHBondContact O-N 2.93Å; K187-N189 PolarHBondContact O-N 3.01Å; K187-D190 PolarHBondContact N-OD2 2.63Å; K187-D190 VanDerWaalsContact O-CB 3.28Å; K187-D190 WeakPolarHBondContact O-CB 3.46Å; K187-D190 PolarHBondContact O-N 3.4Å
188P87.5Confident80.6Confident81 Ų8197 Ų9753%0.52648%0.478SS..G310 helixtrans-52.8-36.9174.5-27.235.7000112.8D190 L191 G292P188-D190 PolarHBondContact O-N 3.1Å; P188-D190 VanDerWaalsContact O-N 3.17Å; P188-L191 WeakPolarHBondContact O-CB 3.42Å; P188-L191 PolarHBondContact O-N 3.34Å; P188-G292 WeakPolarHBondContact O-CA 3.23Å
189N88.8Confident82.3Confident99 Ų9991.6 Ų91.653%0.52946%0.461SS..G310 helixtrans-60.1-22.4175.2-61.467.9000114.1K187 L191 A192K187-N189 PolarHBondContact O-N 3.01Å; N189-L191 PolarHBondContact O-N 3.41Å; N189-A192 WeakPolarHBondContact O-CB 3.21Å; N189-A192 PolarHBondContact O-N 3.43Å
190D90.3Very high83.7Confident99 Ų9987.1 Ų87.153%0.52944%0.44SS..G310 helixtrans-75-14.7177.8-57.6-27.9000111.8Y186 K187 P188 A192Y186-D190 WeakPolarHBondContact CA-OD2 3.48Å; K187-D190 PolarHBondContact N-OD2 2.63Å; K187-D190 VanDerWaalsContact O-CB 3.28Å; K187-D190 WeakPolarHBondContact O-CB 3.46Å; K187-D190 PolarHBondContact O-N 3.4Å; P188-D190 PolarHBondContact O-N 3.1Å; P188-D190 VanDerWaalsContact O-N 3.17Å; D190-A192 VanDerWaalsContact C-N 3.28Å
191L89.4Confident85.2Confident75 Ų7585.3 Ų85.339%0.39344%0.439SS..G310 helixtrans-86.4-1.4175-55.1177.7000112.6P188 N189 G193 L194 I288P188-L191 WeakPolarHBondContact O-CB 3.42Å; P188-L191 PolarHBondContact O-N 3.34Å; N189-L191 PolarHBondContact O-N 3.41Å; L191-G193 PolarHBondContact O-N 2.94Å; L191-L194 HydrophobicContact CB-CD1 4.21Å; L191-L194 HydrophobicContact CD2-CD1 3.72Å; L191-L194 WeakPolarHBondContact O-CB 3.37Å; L191-L194 PolarHBondContact O-N 3.21Å; L191-L194 VanDerWaalsContact O-N 3.12Å; L191-I288 HydrophobicContact CB-CD1 4.13Å; L191-I288 WeakPolarHBondContact O-CB 3.46Å
192A90.7Very high86.5Confident43 Ų4382.4 Ų82.436%0.35542%0.421SS..THydrogen-bonded Turntrans-55.7127.7179.300000111.5N189 D190 L194 N289N189-A192 WeakPolarHBondContact O-CB 3.21Å; N189-A192 PolarHBondContact O-N 3.43Å; D190-A192 VanDerWaalsContact C-N 3.28Å; A192-L194 VanDerWaalsContact C-N 3.34Å; A192-N289 WeakPolarHBondContact CA-O 3.44Å; A192-N289 WeakPolarHBondContact CB-O 3.23Å
193G90Very high88Confident42 Ų4279.9 Ų79.943%0.43341%0.406SS..THydrogen-bonded Turntrans86.6-8.8-18000000115.2L191 I288L191-G193 PolarHBondContact O-N 2.94Å; G193-I288 WeakPolarHBondContact CA-O 3.3Å; G193-I288 PolarHBondContact N-O 2.88Å
194L92.4Very high89.2Confident43 Ų4377.5 Ų77.523%0.22540%0.396CS..  trans-69.3141.1175.2-65.2177.9000110.9L191 A192 D224 L226 I288L191-L194 HydrophobicContact CB-CD1 4.21Å; L191-L194 HydrophobicContact CD2-CD1 3.72Å; L191-L194 WeakPolarHBondContact O-CB 3.37Å; L191-L194 PolarHBondContact O-N 3.21Å; L191-L194 VanDerWaalsContact O-N 3.12Å; A192-L194 VanDerWaalsContact C-N 3.34Å; L194-D224 HydrophobicContact CD2-CB 4.13Å; L194-L226 HydrophobicContact CB-CD1 4.09Å; L194-L226 HydrophobicContact CB-CG 4.49Å; L194-L226 HydrophobicContact CD1-CD1 4.03Å; L194-I288 HydrophobicContact CB-CD1 4.34Å; L194-I288 PolarHBondContact O-N 2.92Å
195R93.9Very high89.8Confident79 Ų7976.6 Ų76.630%0.29840%0.399SS..EExtended strand (participates in β ladder)trans-94.9136.9-179.5-172.7-178.3-56.4167.87.3110.7E223 V225 L226 H285 F286 V287R195-E223 IonicContact CZ-OE2 2.71Å; R195-E223 IonicContact NH2-OE2 3.67Å; R195-E223 PolarHBondContact NH2-OE2 3.23Å; R195-V225 HydrophobicContact CB-CG2 4.43Å; R195-V225 CarbonylContact O-C 3.59Å; R195-V225 WeakPolarHBondContact O-CA 3.29Å; R195-L226 PolarHBondContact O-N 3.47Å; R195-H285 HydrophobicContact CG-CB 4.17Å; R195-F286 CarbonylContact C-O 3.51Å; R195-F286 WeakPolarHBondContact CA-O 3.38Å; R195-V287 HydrophobicContact CB-CG2 4.37Å; R195-V287 HydrophobicContact CG-CG2 4.25Å
196V94.2Very high90.1Very high2 Ų273.3 Ų73.31%0.01241%0.411CS..EExtended strand (participates in β ladder)trans-110.2123.9173-1760000109.2H198 F203 L211 L226 H285 F286 I288V196-H198 HydrophobicContact CG1-CB 4.3Å; V196-H198 PolarHBondContact O-N 3.41Å; V196-F203 HydrophobicContact CG1-CE2 4.41Å; V196-F203 HydrophobicContact CG1-CZ 4Å; V196-L211 HydrophobicContact CG1-CD1 3.91Å; V196-L211 HydrophobicContact CG2-CD1 3.89Å; V196-L226 WeakPolarHBondContact CA-O 3.45Å; V196-L226 HydrophobicContact CG2-CB 4.23Å; V196-L226 HydrophobicContact CG2-CD1 4.45Å; V196-H285 CarbonylContact O-C 3.38Å; V196-H285 WeakPolarHBondContact O-CA 3.41Å; V196-H285 VanDerWaalsContact O-CB 3.25Å; V196-H285 WeakPolarHBondContact O-CB 3.41Å; V196-F286 HydrophobicContact CB-CD1 4.29Å; V196-F286 HydrophobicContact CB-CD2 4.33Å; V196-F286 HydrophobicContact CB-CE1 3.86Å; V196-F286 HydrophobicContact CB-CE2 3.89Å; V196-F286 HydrophobicContact CB-CZ 3.64Å; V196-F286 HydrophobicContact CG1-CE1 3.86Å; V196-F286 HydrophobicContact CG1-CE2 4.49Å; V196-F286 HydrophobicContact CG1-CZ 3.76Å; V196-F286 HydrophobicContact CG2-CD2 4.46Å; V196-F286 HydrophobicContact CG2-CE2 3.82Å; V196-F286 HydrophobicContact CG2-CZ 3.91Å; V196-F286 PolarHBondContact N-O 3.46Å; V196-F286 PolarHBondContact O-N 2.88Å; V196-I288 HydrophobicContact CG2-CD1 4.23Å; V196-I288 HydrophobicContact CG2-CG1 4.32Å
197E91.1Very high90.4Very high22 Ų2269.8 Ų69.810%0.10340%0.402CS..  trans-87.929.3-175.1-152.4-178.1146.600113.8K214 V225 L226 V227 K283 D284E197-K214 IonicContact OE1-NZ 3.68Å; E197-K214 PolarHBondContact OE1-NZ 3.34Å; E197-K214 VanDerWaalsContact OE2-CD 3.29Å; E197-K214 WeakPolarHBondContact OE2-CD 3.48Å; E197-K214 WeakPolarHBondContact OE2-CE 3.32Å; E197-K214 IonicContact OE2-NZ 2.93Å; E197-K214 PolarHBondContact OE2-NZ 2.93Å; E197-V225 HydrophobicContact CB-CG1 3.73Å; E197-V225 HydrophobicContact CG-CG1 4.42Å; E197-L226 PolarHBondContact N-O 2.8Å; E197-V227 HydrophobicContact CB-CG2 3.88Å; E197-K283 HydrophobicContact CG-CB 4.23Å; E197-K283 HydrophobicContact CG-CD 3.93Å; E197-K283 WeakPolarHBondContact OE1-CD 3.44Å; E197-K283 WeakPolarHBondContact OE1-CE 3.43Å; E197-K283 IonicContact OE1-NZ 2.87Å; E197-K283 PolarHBondContact OE1-NZ 2.91Å; E197-D284 CarbonylContact C-O 3.51Å; E197-D284 VanDerWaalsContact C-O 3.22Å
198H92.8Very high90.4Very high1 Ų169.7 Ų69.71%0.00542%0.417CS..SBendtrans-124150.3177.6-65.8-57000110.3V196 F203 V227 N228 I231 E235 D284 F286V196-H198 HydrophobicContact CG1-CB 4.3Å; V196-H198 PolarHBondContact O-N 3.41Å; H198-F203 HydrophobicContact CB-CE2 3.74Å; H198-F203 HydrophobicContact CB-CZ 3.91Å; H198-V227 WeakPolarHBondContact NE2-CG1 3.33Å; H198-N228 PolarHBondContact NE2-N 3.29Å; H198-I231 HydrophobicContact CB-CG2 4.45Å; H198-I231 VanDerWaalsContact ND1-CG2 3.33Å; H198-I231 WeakPolarHBondContact ND1-CG2 3.4Å; H198-E235 IonicContact CE1-OE1 2.61Å; H198-E235 IonicContact CG-OE1 2.74Å; H198-E235 IonicContact ND1-OE1 3.32Å; H198-E235 PolarHBondContact ND1-OE1 3.4Å; H198-E235 IonicContact ND1-OE2 3.65Å; H198-D284 CarbonylContact C-O 3.6Å; H198-D284 PolarHBondContact N-O 3.21Å; H198-F286 VanDerWaalsContact O-CD1 3.23Å; H198-F286 WeakPolarHBondContact O-CD1 3.48Å; H198-F286 VanDerWaalsContact O-CE1 3.25Å; H198-F286 WeakPolarHBondContact O-CE1 3.45Å
199S91.5Very high90.6Very high22 Ų2268.3 Ų68.315%0.15441%0.407CS..  trans-64.3137.4171.4-172.90000110.2S201 R202 F203S199-S201 PolarHBondContact O-N 3.41Å; S199-S201 PolarHBondContact OG-OG 3.1Å; S199-R202 PolarHBondContact O-N 2.99Å; S199-F203 WeakPolarHBondContact O-CD2 2.86Å
200S89Confident90.8Very high27 Ų2770.2 Ų70.219%0.18942%0.416CS..G310 helixtrans-54.3-27.717557.30000112.4R202 E299S200-R202 VanDerWaalsContact C-N 3.33Å; S200-R202 PolarHBondContact O-N 3.47Å; S200-E299 WeakPolarHBondContact CB-OE2 3.3Å; S200-E299 PolarHBondContact OG-OE2 2.79Å
201S89.6Confident90.8Very high91 Ų9168 Ų6864%0.63640%0.403SS*.G310 helixtrans-70.9-16.9177.865.20000115.9S199 F203S199-S201 PolarHBondContact O-N 3.41Å; S199-S201 PolarHBondContact OG-OG 3.1Å; S201-F203 VanDerWaalsContact C-N 3.31Å
202R90.1Very high90.9Very high96 Ų9667.5 Ų67.536%0.36240%0.404SS..G310 helixtrans-81.1-13.9179.4-66.8-62-178.2108.3-15.1113.1S199 S200 I231 E235 D238S199-R202 PolarHBondContact O-N 2.99Å; S200-R202 VanDerWaalsContact C-N 3.33Å; S200-R202 PolarHBondContact O-N 3.47Å; R202-I231 HydrophobicContact CB-CG2 4.18Å; R202-I231 HydrophobicContact CG-CG2 4.41Å; R202-E235 VanDerWaalsContact NH1-CG 3.25Å; R202-D238 IonicContact CZ-OD2 3.8Å; R202-D238 IonicContact NH1-OD2 2.63Å; R202-D238 PolarHBondContact NH1-OD2 3.1Å; R202-D238 IonicContact NH2-OD2 3.96Å; R202-D238 PolarHBondContact NH2-OD2 3.23Å
203F92.5Very high91Very high50 Ų5070.4 Ų70.422%0.21941%0.412CS..SBendtrans-86.7125.5177.3-62.3-86.2000109.2V196 H198 S199 S201 V209 L211 I231 F286V196-F203 HydrophobicContact CG1-CE2 4.41Å; V196-F203 HydrophobicContact CG1-CZ 4Å; H198-F203 HydrophobicContact CB-CE2 3.74Å; H198-F203 HydrophobicContact CB-CZ 3.91Å; S199-F203 WeakPolarHBondContact O-CD2 2.86Å; S201-F203 VanDerWaalsContact C-N 3.31Å; F203-V209 HydrophobicContact CD1-CB 4.16Å; F203-V209 HydrophobicContact CD1-CG1 4.38Å; F203-V209 HydrophobicContact CD1-CG2 4.09Å; F203-V209 HydrophobicContact CE1-CB 4.19Å; F203-V209 HydrophobicContact CE1-CG1 4.02Å; F203-L211 HydrophobicContact CE1-CD2 4.02Å; F203-L211 HydrophobicContact CZ-CD2 4.18Å; F203-I231 HydrophobicContact CD1-CD1 4.36Å; F203-I231 HydrophobicContact CE1-CD1 3.85Å; F203-I231 HydrophobicContact CZ-CD1 4.07Å; F203-F286 HydrophobicContact CD2-CE1 4.42Å; F203-F286 AromaticContact CE2-CE1 3.83Å; F203-F286 HydrophobicContact CE2-CE1 3.83Å; F203-F286 HydrophobicContact CE2-CZ 4.04Å
204V89.1Confident91.1Very high85 Ų8572.8 Ų72.852%0.51541%0.411SS..PPolyproline II helixtrans-87.6128.6175.2179.40000108.6G206 Q207V204-G206 PolarHBondContact O-N 3.37Å; V204-Q207 HydrophobicContact CB-CG 4.34Å; V204-Q207 HydrophobicContact CG1-CG 4.24Å; V204-Q207 PolarHBondContact O-N 3.41Å
205D88.1Confident91.1Very high158 Ų15878.5 Ų78.585%0.84544%0.442SS*.THydrogen-bonded Turntrans-58.1136.2-179.3-60.5-24.6000111.7Q207D205-Q207 VanDerWaalsContact C-N 3.28Å; D205-Q207 PolarHBondContact O-N 3.32Å
206G88.4Confident90.8Very high92 Ų9277.3 Ų77.395%0.94845%0.445SS*.THydrogen-bonded Turntrans80.4-2179.200000115.5V204V204-G206 PolarHBondContact O-N 3.37Å
207Q90.6Very high90.5Very high134 Ų13478.9 Ų78.963%0.62646%0.462SS*.  trans-99.1132.9173.4-63.6-172.6-1800111.2V204 D205V204-Q207 HydrophobicContact CB-CG 4.34Å; V204-Q207 HydrophobicContact CG1-CG 4.24Å; V204-Q207 PolarHBondContact O-N 3.41Å; D205-Q207 VanDerWaalsContact C-N 3.28Å; D205-Q207 PolarHBondContact O-N 3.32Å
208S89.3Confident90.3Very high122 Ų12285.2 Ų85.285%0.85350%0.502SS*.  trans-80.8118.1172.457.60000110
209V90.6Very high89.9Confident52 Ų5292.9 Ų92.932%0.31554%0.542SS..  trans-108.9125.9177.3-179.50000109.2F203 L211 N228 I231F203-V209 HydrophobicContact CD1-CB 4.16Å; F203-V209 HydrophobicContact CD1-CG1 4.38Å; F203-V209 HydrophobicContact CD1-CG2 4.09Å; F203-V209 HydrophobicContact CE1-CB 4.19Å; F203-V209 HydrophobicContact CE1-CG1 4.02Å; V209-L211 HydrophobicContact CG1-CD2 4.2Å; V209-N228 HydrophobicContact CG1-CB 4.23Å; V209-N228 WeakPolarHBondContact CG1-ND2 3.37Å; V209-I231 HydrophobicContact CG1-CD1 4.05Å
210I92.3Very high89.5Confident140 Ų14096.8 Ų96.872%0.71856%0.561SS**  trans-83.1124.2176.5-58.5171.1000108.3
211L91.9Very high89.3Confident51 Ų51105.2 Ų105.227%0.26760%0.597SS.*  trans-104.8137.1174.3-56.3179000109.4V196 F203 V209 L226 N228V196-L211 HydrophobicContact CG1-CD1 3.91Å; V196-L211 HydrophobicContact CG2-CD1 3.89Å; F203-L211 HydrophobicContact CE1-CD2 4.02Å; F203-L211 HydrophobicContact CZ-CD2 4.18Å; V209-L211 HydrophobicContact CG1-CD2 4.2Å; L211-L226 HydrophobicContact CB-CB 4.03Å; L211-L226 HydrophobicContact CD1-CB 4.1Å; L211-L226 HydrophobicContact CD1-CD1 4.34Å; L211-N228 HydrophobicContact CD2-CB 3.79Å
212T91.6Very high88.9Confident65 Ų65104 Ų10440%0.39959%0.589SS.*EExtended strand (participates in β ladder)trans-106.3146.2176.352.40000110.2K214 L226 V227T212-K214 PolarHBondContact O-N 3.02Å; T212-L226 CarbonylContact O-C 3.48Å; T212-L226 WeakPolarHBondContact O-CA 3.39Å; T212-V227 WeakPolarHBondContact CA-O 3.28Å; T212-V227 PolarHBondContact N-O 2.74Å; T212-V227 PolarHBondContact O-N 3.49Å; T212-V227 PolarHBondContact OG1-O 3.38Å
213I92.7Very high88.6Confident104 Ų104105 Ų10553%0.53360%0.598SS.*EExtended strand (participates in β ladder)trans-65.1133.4172.9-60.4169.3000108V225 L226I213-V225 CarbonylContact C-O 3.59Å; I213-V225 WeakPolarHBondContact CA-O 3.47Å; I213-L226 HydrophobicContact CG1-CD2 3.8Å
214K92Very high88.5Confident92 Ų92106.6 Ų106.640%0.461%0.609SS.*  trans-70.9131.7174.3-179.4179.5-178.6175.30109.4E197 T212 S216 V225 V227E197-K214 IonicContact OE1-NZ 3.68Å; E197-K214 PolarHBondContact OE1-NZ 3.34Å; E197-K214 VanDerWaalsContact OE2-CD 3.29Å; E197-K214 WeakPolarHBondContact OE2-CD 3.48Å; E197-K214 WeakPolarHBondContact OE2-CE 3.32Å; E197-K214 IonicContact OE2-NZ 2.93Å; E197-K214 PolarHBondContact OE2-NZ 2.93Å; T212-K214 PolarHBondContact O-N 3.02Å; K214-S216 PolarHBondContact O-N 3.14Å; K214-V225 HydrophobicContact CB-CB 4.15Å; K214-V225 WeakPolarHBondContact CB-O 3.49Å; K214-V225 HydrophobicContact CD-CB 4.21Å; K214-V225 HydrophobicContact CD-CG1 4.41Å; K214-V225 PolarHBondContact N-O 2.81Å; K214-V227 HydrophobicContact CB-CG2 3.96Å; K214-V227 HydrophobicContact CD-CG2 4.33Å; K214-V227 HydrophobicContact CG-CG2 4.46Å
215D91.5Very high88.6Confident164 Ų164103.4 Ų103.488%0.87759%0.589SS**  trans-58.8108172.9-63.7-13.1000110.6
216S88.5Confident88.9Confident53 Ų5396.7 Ų96.737%0.37155%0.553SS.*  trans-112.2153.4167.958.90000109.5K214K214-S216 PolarHBondContact O-N 3.14Å
217G88.1Confident89.1Confident35 Ų3592.7 Ų92.736%0.36151%0.51SS..  trans-65.6139.4173.600000110.4L219 D220G217-L219 PolarHBondContact O-N 3.43Å; G217-D220 PolarHBondContact N-OD2 3.4Å; G217-D220 WeakPolarHBondContact O-CB 3.38Å; G217-D220 PolarHBondContact O-N 2.88Å
218V86Confident89.2Confident155 Ų15587.1 Ų87.194%0.93949%0.485SS*.THydrogen-bonded Turntrans-61.4-18.8179.7-176.10000112.9
219L84Confident89.2Confident163 Ų16385 Ų8585%0.85347%0.467SS*.THydrogen-bonded Turntrans-96.1-9176.2-63.9176.8000113.4G217 E221G217-L219 PolarHBondContact O-N 3.43Å; L219-E221 PolarHBondContact O-N 3.43Å
220D84.3Confident89.2Confident103 Ų10387.7 Ų87.755%0.55148%0.479SS*.  trans-78.1112.6175.6-68.6-26.5000107.4G217 S222G217-D220 PolarHBondContact N-OD2 3.4Å; G217-D220 WeakPolarHBondContact O-CB 3.38Å; G217-D220 PolarHBondContact O-N 2.88Å; D220-S222 PolarHBondContact O-N 3.4Å
221E83.5Confident89.2Confident204 Ų20481.7 Ų81.795%0.95345%0.449SS*.  trans-69.324.4176.1-60.5179.4175.900112.6L219L219-E221 PolarHBondContact O-N 3.43Å
222S81.8Confident89.2Confident66 Ų6681.1 Ų81.146%0.46245%0.445SS..PPolyproline II helixtrans-79.2139174.859.50000110.9D220D220-S222 PolarHBondContact O-N 3.4Å
223E84.6Confident89.2Confident118 Ų11882.4 Ų82.455%0.55145%0.45SS*.PPolyproline II helixtrans-57.1145.5173.3-63.2168.1-18000112R195 V225R195-E223 IonicContact CZ-OE2 2.71Å; R195-E223 IonicContact NH2-OE2 3.67Å; R195-E223 PolarHBondContact NH2-OE2 3.23Å; E223-V225 WeakPolarHBondContact O-CG2 3.43Å; E223-V225 PolarHBondContact O-N 2.82Å
224D89.5Confident89.2Confident83 Ų8382.2 Ų82.244%0.44445%0.45SS..PPolyproline II helixtrans-62.7131.3176.6-67.5-21.6000110.9L194L194-D224 HydrophobicContact CD2-CB 4.13Å
225V92.1Very high89.1Confident18 Ų1879.6 Ų79.611%0.10944%0.439CS..EExtended strand (participates in β ladder)trans-115.3138.6-179-175.90000109.4R195 E197 I213 K214 E223 V227R195-V225 HydrophobicContact CB-CG2 4.43Å; R195-V225 CarbonylContact O-C 3.59Å; R195-V225 WeakPolarHBondContact O-CA 3.29Å; E197-V225 HydrophobicContact CB-CG1 3.73Å; E197-V225 HydrophobicContact CG-CG1 4.42Å; I213-V225 CarbonylContact C-O 3.59Å; I213-V225 WeakPolarHBondContact CA-O 3.47Å; K214-V225 HydrophobicContact CB-CB 4.15Å; K214-V225 WeakPolarHBondContact CB-O 3.49Å; K214-V225 HydrophobicContact CD-CB 4.21Å; K214-V225 HydrophobicContact CD-CG1 4.41Å; K214-V225 PolarHBondContact N-O 2.81Å; E223-V225 WeakPolarHBondContact O-CG2 3.43Å; E223-V225 PolarHBondContact O-N 2.82Å; V225-V227 HydrophobicContact CG1-CG2 4.12Å
226L92.6Very high89Confident16 Ų1677.5 Ų77.58%0.08442%0.422CS..EExtended strand (participates in β ladder)trans-102.9132.8178.4-63.3179.5000110.7L194 R195 V196 E197 L211 T212 I213 I288L194-L226 HydrophobicContact CB-CD1 4.09Å; L194-L226 HydrophobicContact CB-CG 4.49Å; L194-L226 HydrophobicContact CD1-CD1 4.03Å; R195-L226 PolarHBondContact O-N 3.47Å; V196-L226 WeakPolarHBondContact CA-O 3.45Å; V196-L226 HydrophobicContact CG2-CB 4.23Å; V196-L226 HydrophobicContact CG2-CD1 4.45Å; E197-L226 PolarHBondContact N-O 2.8Å; L211-L226 HydrophobicContact CB-CB 4.03Å; L211-L226 HydrophobicContact CD1-CB 4.1Å; L211-L226 HydrophobicContact CD1-CD1 4.34Å; T212-L226 CarbonylContact O-C 3.48Å; T212-L226 WeakPolarHBondContact O-CA 3.39Å; I213-L226 HydrophobicContact CG1-CD2 3.8Å; L226-I288 HydrophobicContact CD1-CD1 4.4Å
227V93.1Very high89.1Confident8 Ų876.6 Ų76.65%0.04842%0.418CS..EExtended strand (participates in β ladder)trans-146.1139.6-176.2-163.30000109.5E197 H198 T212 K214 V225 I232E197-V227 HydrophobicContact CB-CG2 3.88Å; H198-V227 WeakPolarHBondContact NE2-CG1 3.33Å; T212-V227 WeakPolarHBondContact CA-O 3.28Å; T212-V227 PolarHBondContact N-O 2.74Å; T212-V227 PolarHBondContact O-N 3.49Å; T212-V227 PolarHBondContact OG1-O 3.38Å; K214-V227 HydrophobicContact CB-CG2 3.96Å; K214-V227 HydrophobicContact CD-CG2 4.33Å; K214-V227 HydrophobicContact CG-CG2 4.46Å; V225-V227 HydrophobicContact CG1-CG2 4.12Å; V227-I232 HydrophobicContact CB-CD1 4.18Å; V227-I232 HydrophobicContact CG1-CD1 3.19Å; V227-I232 HydrophobicContact CG1-CG1 3.32Å
228N93.1Very high89.2Confident17 Ų1777.7 Ų77.79%0.09142%0.415CS..  trans-98128.3171.6179.6-2.7000110.9H198 V209 L211 N230 I231 I232H198-N228 PolarHBondContact NE2-N 3.29Å; V209-N228 HydrophobicContact CG1-CB 4.23Å; V209-N228 WeakPolarHBondContact CG1-ND2 3.37Å; L211-N228 HydrophobicContact CD2-CB 3.79Å; N228-N230 VanDerWaalsContact C-N 3.3Å; N228-N230 PolarHBondContact O-N 3.38Å; N228-N230 PolarHBondContact OD1-N 3.23Å; N228-I231 HydrophobicContact CB-CB 4.23Å; N228-I231 HydrophobicContact CB-CD1 4.03Å; N228-I231 HydrophobicContact CB-CG1 4.08Å; N228-I231 PolarHBondContact O-N 2.94Å; N228-I232 VanDerWaalsContact O-CG1 3.23Å; N228-I232 WeakPolarHBondContact O-CG1 3Å; N228-I232 PolarHBondContact O-N 2.76Å
229V90.3Very high89.3Confident79 Ų7974.1 Ų74.148%0.47939%0.394SS..Hα-helixtrans-55.1-39.3176-61.60000113.8D233V229-D233 PolarHBondContact O-N 3.31Å
230N88.9Confident89.5Confident107 Ų10771.2 Ų71.257%0.57238%0.379SS*.Hα-helixtrans-70.7-42.4-178.7-65.6-16.2000111.5N228 I232 D233 D234N228-N230 VanDerWaalsContact C-N 3.3Å; N228-N230 PolarHBondContact O-N 3.38Å; N228-N230 PolarHBondContact OD1-N 3.23Å; N230-I232 VanDerWaalsContact C-N 3.34Å; N230-D233 PolarHBondContact O-N 3.02Å; N230-D234 PolarHBondContact O-N 3.01Å; N230-D234 VanDerWaalsContact O-N 3.09Å
231I92.6Very high89.8Confident15 Ų1572.9 Ų72.98%0.07738%0.378CS..Hα-helixtrans-66.9-39.1179.1-61.6175.7000110.2H198 R202 F203 V209 N228 D233 D234 E235H198-I231 HydrophobicContact CB-CG2 4.45Å; H198-I231 VanDerWaalsContact ND1-CG2 3.33Å; H198-I231 WeakPolarHBondContact ND1-CG2 3.4Å; R202-I231 HydrophobicContact CB-CG2 4.18Å; R202-I231 HydrophobicContact CG-CG2 4.41Å; F203-I231 HydrophobicContact CD1-CD1 4.36Å; F203-I231 HydrophobicContact CE1-CD1 3.85Å; F203-I231 HydrophobicContact CZ-CD1 4.07Å; V209-I231 HydrophobicContact CG1-CD1 4.05Å; N228-I231 HydrophobicContact CB-CB 4.23Å; N228-I231 HydrophobicContact CB-CD1 4.03Å; N228-I231 HydrophobicContact CB-CG1 4.08Å; N228-I231 PolarHBondContact O-N 2.94Å; I231-D233 VanDerWaalsContact C-N 3.28Å; I231-D233 PolarHBondContact O-N 3.37Å; I231-D234 PolarHBondContact O-N 3.09Å; I231-E235 HydrophobicContact CG2-CG 4.3Å; I231-E235 WeakPolarHBondContact CG2-OE1 3.49Å; I231-E235 WeakPolarHBondContact O-CB 3.02Å; I231-E235 VanDerWaalsContact O-CG 3.29Å; I231-E235 WeakPolarHBondContact O-CG 3.38Å; I231-E235 PolarHBondContact O-N 2.61Å
232I92.4Very high89.8Confident39 Ų3966.4 Ų66.420%0.235%0.348CS..Hα-helixtrans-56.7-44.3174.1-66.2162.6000111V227 N228 N230 E235 K236V227-I232 HydrophobicContact CB-CD1 4.18Å; V227-I232 HydrophobicContact CG1-CD1 3.19Å; V227-I232 HydrophobicContact CG1-CG1 3.32Å; N228-I232 VanDerWaalsContact O-CG1 3.23Å; N228-I232 WeakPolarHBondContact O-CG1 3Å; N228-I232 PolarHBondContact O-N 2.76Å; N230-I232 VanDerWaalsContact C-N 3.34Å; I232-E235 PolarHBondContact O-N 2.74Å; I232-K236 HydrophobicContact CG2-CD 3.98Å; I232-K236 HydrophobicContact CG2-CG 4.41Å; I232-K236 VanDerWaalsContact O-CG 3.3Å; I232-K236 WeakPolarHBondContact O-CG 3.35Å; I232-K236 PolarHBondContact O-N 3.35Å
233D92.2Very high89.8Confident92 Ų9267 Ų6749%0.49235%0.345SS..Hα-helixtrans-69.7-38.2-176.8-74.9-12000111.7V229 N230 I231 K236 A237V229-D233 PolarHBondContact O-N 3.31Å; N230-D233 PolarHBondContact O-N 3.02Å; I231-D233 VanDerWaalsContact C-N 3.28Å; I231-D233 PolarHBondContact O-N 3.37Å; D233-K236 PolarHBondContact O-N 3.46Å; D233-K236 IonicContact OD1-NZ 3.75Å; D233-A237 WeakPolarHBondContact O-CB 3.48Å; D233-A237 PolarHBondContact O-N 3.48Å
234D91.4Very high89.7Confident99 Ų9966.5 Ų66.553%0.52935%0.345SS..Hα-helixtrans-63.2-43.7171.7-72.7-28000112.1N230 I231 A237 D238N230-D234 PolarHBondContact O-N 3.01Å; N230-D234 VanDerWaalsContact O-N 3.09Å; I231-D234 PolarHBondContact O-N 3.09Å; D234-A237 PolarHBondContact O-N 2.95Å; D234-D238 PolarHBondContact O-N 2.98Å
235E90.7Very high89.2Confident37 Ų3770.4 Ų70.417%0.17335%0.354CS..Hα-helixtrans-59.7-45.2174.7-75.2173.4-175.100111.9H198 R202 I231 I232 A237 D238 V239H198-E235 IonicContact CE1-OE1 2.61Å; H198-E235 IonicContact CG-OE1 2.74Å; H198-E235 IonicContact ND1-OE1 3.32Å; H198-E235 PolarHBondContact ND1-OE1 3.4Å; H198-E235 IonicContact ND1-OE2 3.65Å; R202-E235 VanDerWaalsContact NH1-CG 3.25Å; I231-E235 HydrophobicContact CG2-CG 4.3Å; I231-E235 WeakPolarHBondContact CG2-OE1 3.49Å; I231-E235 WeakPolarHBondContact O-CB 3.02Å; I231-E235 VanDerWaalsContact O-CG 3.29Å; I231-E235 WeakPolarHBondContact O-CG 3.38Å; I231-E235 PolarHBondContact O-N 2.61Å; I232-E235 PolarHBondContact O-N 2.74Å; E235-A237 VanDerWaalsContact C-N 3.31Å; E235-A237 PolarHBondContact O-N 3.36Å; E235-D238 WeakPolarHBondContact O-CB 3.46Å; E235-D238 PolarHBondContact O-N 3.45Å; E235-V239 WeakPolarHBondContact O-CG2 3.42Å; E235-V239 PolarHBondContact O-N 3.08Å
236K89.4Confident88.4Confident121 Ų12175.9 Ų75.953%0.52638%0.376SS..Hα-helixtrans-62.7-40175.3-73.1169.5-176.5163.70111.5I232 D233 V239 N240I232-K236 HydrophobicContact CG2-CD 3.98Å; I232-K236 HydrophobicContact CG2-CG 4.41Å; I232-K236 VanDerWaalsContact O-CG 3.3Å; I232-K236 WeakPolarHBondContact O-CG 3.35Å; I232-K236 PolarHBondContact O-N 3.35Å; D233-K236 PolarHBondContact O-N 3.46Å; D233-K236 IonicContact OD1-NZ 3.75Å; K236-V239 PolarHBondContact O-N 3.3Å; K236-N240 PolarHBondContact O-N 3.13Å
237A91.1Very high87.4Confident34 Ų3480.4 Ų80.428%0.28141%0.405SS..Hα-helixtrans-66.4-40.1178.100000111.9D233 D234 E235 N240 R241D233-A237 WeakPolarHBondContact O-CB 3.48Å; D233-A237 PolarHBondContact O-N 3.48Å; D234-A237 PolarHBondContact O-N 2.95Å; E235-A237 VanDerWaalsContact C-N 3.31Å; E235-A237 PolarHBondContact O-N 3.36Å; A237-N240 PolarHBondContact O-N 3.24Å; A237-R241 WeakPolarHBondContact O-CG 3.45Å; A237-R241 PolarHBondContact O-N 3.14Å
238D90.3Very high86.3Confident57 Ų5784 Ų8431%0.30544%0.435SS..Hα-helixtrans-58.4-50171.6-78.7-35.3000111.5R202 D234 E235 N240 R241 E242R202-D238 IonicContact CZ-OD2 3.8Å; R202-D238 IonicContact NH1-OD2 2.63Å; R202-D238 PolarHBondContact NH1-OD2 3.1Å; R202-D238 IonicContact NH2-OD2 3.96Å; R202-D238 PolarHBondContact NH2-OD2 3.23Å; D234-D238 PolarHBondContact O-N 2.98Å; E235-D238 WeakPolarHBondContact O-CB 3.46Å; E235-D238 PolarHBondContact O-N 3.45Å; D238-N240 VanDerWaalsContact C-N 3.3Å; D238-N240 PolarHBondContact O-N 3.39Å; D238-R241 PolarHBondContact O-N 2.71Å; D238-R241 IonicContact OD1-CZ 2.74Å; D238-R241 IonicContact OD1-NE 2.8Å; D238-R241 IonicContact OD1-NH2 3.83Å; D238-R241 PolarHBondContact OD1-NH2 3.1Å; D238-E242 WeakPolarHBondContact O-CB 3.49Å; D238-E242 PolarHBondContact O-N 3.16Å
239V87.2Confident84.7Confident81 Ų8184.9 Ų84.949%0.49145%0.449SS..Hα-helixtrans-60.8-40.2179171.80000111.1E235 K236 E242 N243E235-V239 WeakPolarHBondContact O-CG2 3.42Å; E235-V239 PolarHBondContact O-N 3.08Å; K236-V239 PolarHBondContact O-N 3.3Å; V239-E242 WeakPolarHBondContact O-CB 3.46Å; V239-E242 PolarHBondContact O-N 3.26Å; V239-N243 WeakPolarHBondContact O-CB 3.34Å; V239-N243 PolarHBondContact O-N 3.16Å; V239-N243 PolarHBondContact O-ND2 2.81Å
240N89.1Confident83.1Confident102 Ų10290 Ų9055%0.54547%0.472SS..Hα-helixtrans-65.3-41.9175.4-88.77.6000112.5K236 A237 D238 E242 N243 I244K236-N240 PolarHBondContact O-N 3.13Å; A237-N240 PolarHBondContact O-N 3.24Å; D238-N240 VanDerWaalsContact C-N 3.3Å; D238-N240 PolarHBondContact O-N 3.39Å; N240-E242 VanDerWaalsContact C-N 3.33Å; N240-E242 PolarHBondContact O-N 2.99Å; N240-N243 PolarHBondContact O-N 2.78Å; N240-I244 WeakPolarHBondContact O-CB 3.33Å; N240-I244 WeakPolarHBondContact O-CD1 3.44Å; N240-I244 WeakPolarHBondContact O-CG1 3.33Å; N240-I244 PolarHBondContact O-N 3.12Å
241R90Very high81.5Confident138 Ų13886.5 Ų86.552%0.52146%0.458SS..Hα-helixtrans-62.6-40.6174.8-73.5-174.1-68.3-93.710.5111.8A237 D238 I244 R245A237-R241 WeakPolarHBondContact O-CG 3.45Å; A237-R241 PolarHBondContact O-N 3.14Å; D238-R241 PolarHBondContact O-N 2.71Å; D238-R241 IonicContact OD1-CZ 2.74Å; D238-R241 IonicContact OD1-NE 2.8Å; D238-R241 IonicContact OD1-NH2 3.83Å; D238-R241 PolarHBondContact OD1-NH2 3.1Å; R241-I244 PolarHBondContact O-N 2.87Å; R241-R245 WeakPolarHBondContact O-CB 3.19Å; R241-R245 PolarHBondContact O-N 3.26Å
242E82.5Confident79.6Confident68 Ų6889.1 Ų89.132%0.31849%0.488SS..Hα-helixtrans-62.2-46.5175.3-170.872.5-14300111.2D238 V239 N240 R245 K246D238-E242 WeakPolarHBondContact O-CB 3.49Å; D238-E242 PolarHBondContact O-N 3.16Å; V239-E242 WeakPolarHBondContact O-CB 3.46Å; V239-E242 PolarHBondContact O-N 3.26Å; N240-E242 VanDerWaalsContact C-N 3.33Å; N240-E242 PolarHBondContact O-N 2.99Å; E242-R245 PolarHBondContact O-N 2.85Å; E242-R245 IonicContact OE1-CZ 3.36Å; E242-R245 IonicContact OE1-NE 3.97Å; E242-R245 IonicContact OE1-NH2 3.88Å; E242-R245 PolarHBondContact OE1-NH2 3.46Å; E242-R245 IonicContact OE2-CZ 3.23Å; E242-R245 IonicContact OE2-NH1 3.29Å; E242-R245 IonicContact OE2-NH2 3.1Å; E242-R245 PolarHBondContact OE2-NH2 3.49Å; E242-K246 HydrophobicContact CG-CD 4.28Å; E242-K246 WeakPolarHBondContact O-CB 3.29Å; E242-K246 WeakPolarHBondContact O-CG 3.37Å; E242-K246 PolarHBondContact O-N 3.47Å; E242-K246 WeakPolarHBondContact OE1-CE 3.02Å
243N82.9Confident77.7Confident77 Ų7795 Ų9541%0.41252%0.519SS..Hα-helixtrans-64.9-41.1178.4-70.9-17.5000111.8V239 N240 K246 T247V239-N243 WeakPolarHBondContact O-CB 3.34Å; V239-N243 PolarHBondContact O-N 3.16Å; V239-N243 PolarHBondContact O-ND2 2.81Å; N240-N243 PolarHBondContact O-N 2.78Å; N243-K246 PolarHBondContact O-N 3.19Å; N243-T247 WeakPolarHBondContact O-CB 3.22Å; N243-T247 WeakPolarHBondContact O-CG2 3.45Å; N243-T247 PolarHBondContact O-N 3.41Å; N243-T247 PolarHBondContact O-OG1 2.62Å
244I82.2Confident75.9Confident108 Ų10898.4 Ų98.455%0.55453%0.532SS*.Hα-helixtrans-62.4-44.2172.6-67.7163.9000109.8N240 R241 K246 T247 A248N240-I244 WeakPolarHBondContact O-CB 3.33Å; N240-I244 WeakPolarHBondContact O-CD1 3.44Å; N240-I244 WeakPolarHBondContact O-CG1 3.33Å; N240-I244 PolarHBondContact O-N 3.12Å; R241-I244 PolarHBondContact O-N 2.87Å; I244-K246 PolarHBondContact O-N 3.4Å; I244-T247 PolarHBondContact O-N 3.07Å; I244-T247 PolarHBondContact O-OG1 3.38Å; I244-A248 HydrophobicContact CG2-CB 4.46Å; I244-A248 WeakPolarHBondContact O-CA 3.46Å; I244-A248 WeakPolarHBondContact O-CB 3.2Å; I244-A248 PolarHBondContact O-N 2.86Å
245R79.7Confident74.2Confident166 Ų16699.2 Ų99.263%0.62654%0.536SS*.Hα-helixtrans-62.2-41.6177.8-173.1172.768.7-147.64.9112.4R241 E242 T247R241-R245 WeakPolarHBondContact O-CB 3.19Å; R241-R245 PolarHBondContact O-N 3.26Å; E242-R245 PolarHBondContact O-N 2.85Å; E242-R245 IonicContact OE1-CZ 3.36Å; E242-R245 IonicContact OE1-NE 3.97Å; E242-R245 IonicContact OE1-NH2 3.88Å; E242-R245 PolarHBondContact OE1-NH2 3.46Å; E242-R245 IonicContact OE2-CZ 3.23Å; E242-R245 IonicContact OE2-NH1 3.29Å; E242-R245 IonicContact OE2-NH2 3.1Å; E242-R245 PolarHBondContact OE2-NH2 3.49Å; R245-T247 VanDerWaalsContact C-N 3.33Å
246K74.4Confident72.5Confident133 Ų133105.3 Ų105.358%0.57857%0.565SS**Hα-helixtrans-65.8-33.7177-73.2173179.2174.50112.7E242 N243 I244E242-K246 HydrophobicContact CG-CD 4.28Å; E242-K246 WeakPolarHBondContact O-CB 3.29Å; E242-K246 WeakPolarHBondContact O-CG 3.37Å; E242-K246 PolarHBondContact O-N 3.47Å; E242-K246 WeakPolarHBondContact OE1-CE 3.02Å; N243-K246 PolarHBondContact O-N 3.19Å; I244-K246 PolarHBondContact O-N 3.4Å
247T70.9Confident70.9Confident111 Ų111103.3 Ų103.368%0.68156%0.562SS**Hα-helixtrans-95.1-24.3-177.555.20000114.3N243 I244 R245 G249N243-T247 WeakPolarHBondContact O-CB 3.22Å; N243-T247 WeakPolarHBondContact O-CG2 3.45Å; N243-T247 PolarHBondContact O-N 3.41Å; N243-T247 PolarHBondContact O-OG1 2.62Å; I244-T247 PolarHBondContact O-N 3.07Å; I244-T247 PolarHBondContact O-OG1 3.38Å; R245-T247 VanDerWaalsContact C-N 3.33Å; T247-G249 VanDerWaalsContact C-N 3.26Å; T247-G249 PolarHBondContact O-N 3.47Å
248A70.8Confident69.5Low82 Ų82105 Ų10568%0.67857%0.567SS**Hα-helixtrans-73.7-17.8-179.200000112.8I244I244-A248 HydrophobicContact CG2-CB 4.46Å; I244-A248 WeakPolarHBondContact O-CA 3.46Å; I244-A248 WeakPolarHBondContact O-CB 3.2Å; I244-A248 PolarHBondContact O-N 2.86Å
249G59.6Low68.4Low37 Ų37108.4 Ų108.438%0.38158%0.581SS.*SBendtrans-76.7143164.700000110.6T247 A251T247-G249 VanDerWaalsContact C-N 3.26Å; T247-G249 PolarHBondContact O-N 3.47Å; G249-A251 PolarHBondContact O-N 2.89Å
250L57.1Low67.4Low187 Ų187107.6 Ų107.698%0.97957%0.574SS**SBendtrans-55.56.1169.4-169.666.9000114G252L250-G252 PolarHBondContact O-N 3.34Å; L250-G252 VanDerWaalsContact O-N 3.15Å
251A54.4Low66.4Low32 Ų32104.8 Ų104.826%0.26456%0.56SS.*  trans-8122.3-173.800000114.5G249 I253 D255G249-A251 PolarHBondContact O-N 2.89Å; A251-I253 PolarHBondContact O-N 2.96Å; A251-D255 HydrophobicContact CB-CB 4.24Å; A251-D255 VanDerWaalsContact CB-OD2 3.28Å; A251-D255 WeakPolarHBondContact CB-OD2 3.46Å
252G53.3Low65.3Low70 Ų70104 Ų10472%0.72257%0.565SS**THydrogen-bonded Turntrans-69.57.1179.800000115.5L250L250-G252 PolarHBondContact O-N 3.34Å; L250-G252 VanDerWaalsContact O-N 3.15Å
253I52.7Low64.9Low163 Ų163106.3 Ų106.384%0.83658%0.579SS**THydrogen-bonded Turntrans-138.3-28.7-179.6-57.7179.2000113A251A251-I253 PolarHBondContact O-N 2.96Å
254E53.7Low64.2Low163 Ų163105.7 Ų105.776%0.76259%0.591SS**THydrogen-bonded Turntrans-93.8-31.5-173.2-153.393-151.900113.6E256E254-E256 PolarHBondContact O-N 3.09Å
255D55.3Low64Low117 Ų117106.5 Ų106.563%0.62660%0.596SS**THydrogen-bonded Turntrans-87.73.5-165.8-76.16.5000115.2A251 V257A251-D255 HydrophobicContact CB-CB 4.24Å; A251-D255 VanDerWaalsContact CB-OD2 3.28Å; A251-D255 WeakPolarHBondContact CB-OD2 3.46Å; D255-V257 PolarHBondContact O-N 3.3Å
256E56.2Low63.8Low165 Ų165105.5 Ų105.577%0.77159%0.592SS**THydrogen-bonded Turntrans-72.4-14.9177.8-79.6-167-17300113.3E254 D258E254-E256 PolarHBondContact O-N 3.09Å; E256-D258 PolarHBondContact O-N 3.39Å
257V56.1Low64Low79 Ų79104.9 Ų104.948%0.47960%0.604SS.*SBendtrans-93.795.2172.5-149.50000107.2D255 E259 L262D255-V257 PolarHBondContact O-N 3.3Å; V257-E259 PolarHBondContact O-N 2.87Å; V257-L262 HydrophobicContact CG1-CB 3.97Å; V257-L262 HydrophobicContact CG1-CD1 4.37Å
258D61.3Low64.2Low69 Ų69104 Ų10437%0.36959%0.591SS.*  trans-45.8120167.7-63.2-58.4000107.7E256 D260 V261 L262 K268E256-D258 PolarHBondContact O-N 3.39Å; D258-D260 PolarHBondContact O-N 3.11Å; D258-D260 VanDerWaalsContact O-N 3.08Å; D258-V261 HydrophobicContact CB-CB 4.13Å; D258-V261 HydrophobicContact CB-CG2 3.75Å; D258-V261 WeakPolarHBondContact O-CA 3.33Å; D258-V261 WeakPolarHBondContact O-CB 3.4Å; D258-V261 PolarHBondContact O-N 2.91Å; D258-L262 PolarHBondContact O-N 3.48Å; D258-K268 IonicContact OD2-NZ 3.67Å; D258-K268 PolarHBondContact OD2-NZ 3.45Å
259E66.8Low64.5Low129 Ų129103 Ų10360%0.60358%0.583SS**Hα-helixtrans-49.6-40.2-177.9-74.7-72.4176.900110.9V257 V261 L262 L263V257-E259 PolarHBondContact O-N 2.87Å; E259-V261 VanDerWaalsContact C-N 3.26Å; E259-V261 PolarHBondContact O-N 2.85Å; E259-L262 CarbonylContact O-C 3.58Å; E259-L262 WeakPolarHBondContact O-CB 3.42Å; E259-L262 PolarHBondContact O-N 3.25Å; E259-L262 VanDerWaalsContact O-N 3.1Å; E259-L263 HydrophobicContact CB-CD1 4.21Å; E259-L263 VanDerWaalsContact O-CB 3.28Å; E259-L263 WeakPolarHBondContact O-CB 3.16Å; E259-L263 VanDerWaalsContact O-CD1 3.26Å; E259-L263 WeakPolarHBondContact O-CD1 3.4Å; E259-L263 PolarHBondContact O-N 3.46Å
260D67.1Low65.5Low64 Ų64108.2 Ų108.234%0.34261%0.607SS.*Hα-helixtrans-62.3-29.6176.8-57.9-21.7000114D258 G264 L265 R266D258-D260 PolarHBondContact O-N 3.11Å; D258-D260 VanDerWaalsContact O-N 3.08Å; D260-G264 PolarHBondContact O-N 2.77Å; D260-L265 HydrophobicContact CB-CB 4.31Å; D260-L265 WeakPolarHBondContact O-CB 3.49Å; D260-L265 PolarHBondContact O-N 3.45Å; D260-R266 HydrophobicContact CB-CG 4.45Å; D260-R266 PolarHBondContact O-N 3.16Å; D260-R266 VanDerWaalsContact O-N 3.12Å; D260-R266 IonicContact OD2-CZ 2.76Å; D260-R266 IonicContact OD2-NE 3.64Å; D260-R266 PolarHBondContact OD2-NE 3.28Å; D260-R266 IonicContact OD2-NH2 3.41Å; D260-R266 PolarHBondContact OD2-NH2 2.72Å
261V67.5Low66.5Low42 Ų42103.4 Ų103.426%0.25558%0.582SS.*Hα-helixtrans-77.6-39.7174.5175.70000110.1D258 E259 L263 G264 R266 K268D258-V261 HydrophobicContact CB-CB 4.13Å; D258-V261 HydrophobicContact CB-CG2 3.75Å; D258-V261 WeakPolarHBondContact O-CA 3.33Å; D258-V261 WeakPolarHBondContact O-CB 3.4Å; D258-V261 PolarHBondContact O-N 2.91Å; E259-V261 VanDerWaalsContact C-N 3.26Å; E259-V261 PolarHBondContact O-N 2.85Å; V261-L263 VanDerWaalsContact C-N 3.35Å; V261-G264 PolarHBondContact O-N 2.76Å; V261-R266 WeakPolarHBondContact CA-O 3.33Å; V261-K268 HydrophobicContact CG1-CB 3.79Å; V261-K268 HydrophobicContact CG2-CB 4.04Å; V261-K268 HydrophobicContact CG2-CD 4.4Å
262L66.5Low67.6Low121 Ų121103.8 Ų103.863%0.63458%0.583SS**Hα-helixtrans-65.3-39.1175.2-174.261.1000111.8V257 D258 E259 G264V257-L262 HydrophobicContact CG1-CB 3.97Å; V257-L262 HydrophobicContact CG1-CD1 4.37Å; D258-L262 PolarHBondContact O-N 3.48Å; E259-L262 CarbonylContact O-C 3.58Å; E259-L262 WeakPolarHBondContact O-CB 3.42Å; E259-L262 PolarHBondContact O-N 3.25Å; E259-L262 VanDerWaalsContact O-N 3.1Å; L262-G264 PolarHBondContact O-N 3.21Å
263L74.2Confident68.9Low117 Ų117108.3 Ų108.361%0.61358%0.582SS**THydrogen-bonded Turntrans-77.4-2.9175.2-80.2140.2000113.3E259 V261 L265E259-L263 HydrophobicContact CB-CD1 4.21Å; E259-L263 VanDerWaalsContact O-CB 3.28Å; E259-L263 WeakPolarHBondContact O-CB 3.16Å; E259-L263 VanDerWaalsContact O-CD1 3.26Å; E259-L263 WeakPolarHBondContact O-CD1 3.4Å; E259-L263 PolarHBondContact O-N 3.46Å; V261-L263 VanDerWaalsContact C-N 3.35Å; L263-L265 HydrophobicContact CB-CD1 3.78Å; L263-L265 HydrophobicContact CB-CG 4.25Å; L263-L265 PolarHBondContact O-N 2.9Å; L263-L265 VanDerWaalsContact O-N 3.16Å
264G68.8Low70.5Confident64 Ų64104.4 Ų104.466%0.6656%0.558SS**THydrogen-bonded Turntrans67.211.5178.900000114.9D260 V261 L262 R266D260-G264 PolarHBondContact O-N 2.77Å; V261-G264 PolarHBondContact O-N 2.76Å; L262-G264 PolarHBondContact O-N 3.21Å; G264-R266 PolarHBondContact O-N 3.3Å
265L78.4Confident71.9Confident126 Ų12699.1 Ų99.166%0.6653%0.534SS*.SBendtrans-68.3-28.7175.2-71.6153.2000111.2D260 L263D260-L265 HydrophobicContact CB-CB 4.31Å; D260-L265 WeakPolarHBondContact O-CB 3.49Å; D260-L265 PolarHBondContact O-N 3.45Å; L263-L265 HydrophobicContact CB-CD1 3.78Å; L263-L265 HydrophobicContact CB-CG 4.25Å; L263-L265 PolarHBondContact O-N 2.9Å; L263-L265 VanDerWaalsContact O-N 3.16Å
266R75.3Confident72.9Confident145 Ų14597.3 Ų97.355%0.54753%0.531SS..SBendtrans-138136.2176.3-63-169.4-71.9153.6-1.3110.7D260 V261 G264D260-R266 HydrophobicContact CB-CG 4.45Å; D260-R266 PolarHBondContact O-N 3.16Å; D260-R266 VanDerWaalsContact O-N 3.12Å; D260-R266 IonicContact OD2-CZ 2.76Å; D260-R266 IonicContact OD2-NE 3.64Å; D260-R266 PolarHBondContact OD2-NE 3.28Å; D260-R266 IonicContact OD2-NH2 3.41Å; D260-R266 PolarHBondContact OD2-NH2 2.72Å; V261-R266 WeakPolarHBondContact CA-O 3.33Å; G264-R266 PolarHBondContact O-N 3.3Å
267S77.4Confident74Confident119 Ų11997 Ų9783%0.83253%0.53SS*.PPolyproline II helixtrans-79.8126.4169.154.70000109.8A269S267-A269 PolarHBondContact O-N 2.82Å
268K74.6Confident75.4Confident94 Ų9498.4 Ų98.441%0.40953%0.534SS..PPolyproline II helixtrans-68.4121.2169.5-17067.6162-113.70107.7D258 V261 V270 S272D258-K268 IonicContact OD2-NZ 3.67Å; D258-K268 PolarHBondContact OD2-NZ 3.45Å; V261-K268 HydrophobicContact CG1-CB 3.79Å; V261-K268 HydrophobicContact CG2-CB 4.04Å; V261-K268 HydrophobicContact CG2-CD 4.4Å; K268-V270 PolarHBondContact O-N 2.79Å; K268-S272 WeakPolarHBondContact CD-OG 3.45Å; K268-S272 VanDerWaalsContact CE-CB 3.43Å; K268-S272 WeakPolarHBondContact CE-OG 3.31Å; K268-S272 WeakPolarHBondContact CG-OG 3.37Å
269A78Confident76.4Confident60 Ų60100.7 Ų100.750%0.49655%0.546SS..PPolyproline II helixtrans-54.7132.7171.600000109.3S267 L271 S272S267-A269 PolarHBondContact O-N 2.82Å; A269-L271 PolarHBondContact O-N 3.09Å; A269-S272 WeakPolarHBondContact O-CB 3.36Å; A269-S272 PolarHBondContact O-N 3.34Å; A269-S272 PolarHBondContact O-OG 3.24Å
270V80.7Confident77Confident147 Ų14796 Ų9689%0.89153%0.532SS*.THydrogen-bonded Turntrans-54.2-25.1-173.1-1770000112.2K268K268-V270 PolarHBondContact O-N 2.79Å
271L78.3Confident77.7Confident85 Ų8599.6 Ų99.645%0.44555%0.55SS..THydrogen-bonded Turntrans-116.623.8178.9-92.689.5000115A269 K273 Y274 D275 I278A269-L271 PolarHBondContact O-N 3.09Å; L271-K273 PolarHBondContact O-N 3.2Å; L271-Y274 HydrophobicContact CB-CD2 4.27Å; L271-Y274 HydrophobicContact CD2-CD2 3.92Å; L271-Y274 HydrophobicContact CD2-CG 4.36Å; L271-Y274 HydrophobicContact CG-CD2 3.85Å; L271-Y274 PolarHBondContact O-N 3.38Å; L271-D275 PolarHBondContact O-N 3.05Å; L271-I278 HydrophobicContact CD2-CD1 3.77Å
272S77.9Confident78.4Confident41 Ų41104.5 Ų104.529%0.28757%0.568SS.*THydrogen-bonded Turntrans-51.5-23.4179.354.20000115.9K268 A269K268-S272 WeakPolarHBondContact CD-OG 3.45Å; K268-S272 VanDerWaalsContact CE-CB 3.43Å; K268-S272 WeakPolarHBondContact CE-OG 3.31Å; K268-S272 WeakPolarHBondContact CG-OG 3.37Å; A269-S272 WeakPolarHBondContact O-CB 3.36Å; A269-S272 PolarHBondContact O-N 3.34Å; A269-S272 PolarHBondContact O-OG 3.24Å
273K79.8Confident79.4Confident164 Ų164102.7 Ų102.771%0.71356%0.555SS**THydrogen-bonded Turntrans-76.7-20.6175.8-62.9-166.4-68.8-163.10114.1L271L271-K273 PolarHBondContact O-N 3.2Å
274Y86.5Confident80.2Confident82 Ų82102.1 Ų102.132%0.32255%0.552SS.*THydrogen-bonded Turntrans-109-3-174.9-57.3-77000113L271 S276 E277 I278L271-Y274 HydrophobicContact CB-CD2 4.27Å; L271-Y274 HydrophobicContact CD2-CD2 3.92Å; L271-Y274 HydrophobicContact CD2-CG 4.36Å; L271-Y274 HydrophobicContact CG-CD2 3.85Å; L271-Y274 PolarHBondContact O-N 3.38Å; Y274-S276 PolarHBondContact O-N 2.91Å; Y274-S276 VanDerWaalsContact O-N 3.07Å; Y274-E277 PolarHBondContact O-N 3.06Å; Y274-I278 WeakPolarHBondContact O-CG1 3.47Å; Y274-I278 PolarHBondContact O-N 3.44Å
275D82.5Confident81.3Confident51 Ų51104.2 Ų104.227%0.27355%0.545SS..Hα-helixtrans-48.8-38175-89.327.5000111.6L271 N279 K282L271-D275 PolarHBondContact O-N 3.05Å; D275-N279 WeakPolarHBondContact O-CB 2.89Å; D275-N279 PolarHBondContact O-N 3.28Å; D275-K282 IonicContact OD2-NZ 3.7Å; D275-K282 PolarHBondContact OD2-NZ 2.93Å
276S77.7Confident81.9Confident80 Ų8099.5 Ų99.556%0.55952%0.519SS*.Hα-helixtrans-68.5-32.3177-54.10000113.9Y274 G280Y274-S276 PolarHBondContact O-N 2.91Å; Y274-S276 VanDerWaalsContact O-N 3.07Å; S276-G280 CarbonylContact O-C 3.43Å; S276-G280 WeakPolarHBondContact O-CA 3.42Å; S276-G280 PolarHBondContact O-N 2.6Å
277E79.3Confident82.8Confident157 Ų15795.4 Ų95.473%0.73451%0.51SS*.Hα-helixtrans-82.4-33178.6-66-179.9-173.500111.6Y274Y274-E277 PolarHBondContact O-N 3.06Å
278I85.3Confident83.5Confident110 Ų11090.6 Ų90.656%0.56448%0.475SS*.Hα-helixtrans-84.6-49.3-176.7-61.8172.4000111L271 Y274L271-I278 HydrophobicContact CD2-CD1 3.77Å; Y274-I278 WeakPolarHBondContact O-CG1 3.47Å; Y274-I278 PolarHBondContact O-N 3.44Å
279N81Confident84.4Confident116 Ų11689.3 Ų89.362%0.6247%0.472SS*.SBendtrans-103.1-6.8-173.5-65.373000112.9D275D275-N279 WeakPolarHBondContact O-CB 2.89Å; D275-N279 PolarHBondContact O-N 3.28Å
280G80.4Confident84.9Confident31 Ų3191.4 Ų91.432%0.3248%0.483SS..  trans77.9176.6-170.300000112.9S276 K282S276-G280 CarbonylContact O-C 3.43Å; S276-G280 WeakPolarHBondContact O-CA 3.42Å; S276-G280 PolarHBondContact O-N 2.6Å; G280-K282 PolarHBondContact O-N 3.4Å
281I81.4Confident85.3Confident139 Ų13988 Ų8871%0.71346%0.46SS*.SBendtrans-64.9110.1175.8-59.2132.3000107.9K283I281-K283 HydrophobicContact CG2-CG 4.29Å; I281-K283 PolarHBondContact O-N 3.4Å
282K83.1Confident85.7Confident146 Ų14684.8 Ų84.864%0.63545%0.447SS*.  trans-61.9120.3176-66.5177.4-174.2166.60108.7D275 G280D275-K282 IonicContact OD2-NZ 3.7Å; D275-K282 PolarHBondContact OD2-NZ 2.93Å; G280-K282 PolarHBondContact O-N 3.4Å
283K86.2Confident86.2Confident82 Ų8285 Ų8536%0.35745%0.449SS..  trans-124.7145.4176.2-69.3168173.7-168.10109E197 I281E197-K283 HydrophobicContact CG-CB 4.23Å; E197-K283 HydrophobicContact CG-CD 3.93Å; E197-K283 WeakPolarHBondContact OE1-CD 3.44Å; E197-K283 WeakPolarHBondContact OE1-CE 3.43Å; E197-K283 IonicContact OE1-NZ 2.87Å; E197-K283 PolarHBondContact OE1-NZ 2.91Å; I281-K283 HydrophobicContact CG2-CG 4.29Å; I281-K283 PolarHBondContact O-N 3.4Å
284D90.6Very high86.7Confident105 Ų10580.3 Ų80.356%0.56143%0.428SS*.  trans-70.7135.7172.2-71.1-7000108.8E197 H198E197-D284 CarbonylContact C-O 3.51Å; E197-D284 VanDerWaalsContact C-O 3.22Å; H198-D284 CarbonylContact C-O 3.6Å; H198-D284 PolarHBondContact N-O 3.21Å
285H91.9Very high86.8Confident109 Ų10980 Ų8051%0.50543%0.431SS..  trans-143.3152.8177.164.379.2000110.2R195 V196R195-H285 HydrophobicContact CG-CB 4.17Å; V196-H285 CarbonylContact O-C 3.38Å; V196-H285 WeakPolarHBondContact O-CA 3.41Å; V196-H285 VanDerWaalsContact O-CB 3.25Å; V196-H285 WeakPolarHBondContact O-CB 3.41Å
286F93Very high87Confident26 Ų2680.6 Ų80.611%0.11444%0.437CS..EExtended strand (participates in β ladder)trans-133159.717263.6-89.9000110.7R195 V196 H198 F203 Y294R195-F286 CarbonylContact C-O 3.51Å; R195-F286 WeakPolarHBondContact CA-O 3.38Å; V196-F286 HydrophobicContact CB-CD1 4.29Å; V196-F286 HydrophobicContact CB-CD2 4.33Å; V196-F286 HydrophobicContact CB-CE1 3.86Å; V196-F286 HydrophobicContact CB-CE2 3.89Å; V196-F286 HydrophobicContact CB-CZ 3.64Å; V196-F286 HydrophobicContact CG1-CE1 3.86Å; V196-F286 HydrophobicContact CG1-CE2 4.49Å; V196-F286 HydrophobicContact CG1-CZ 3.76Å; V196-F286 HydrophobicContact CG2-CD2 4.46Å; V196-F286 HydrophobicContact CG2-CE2 3.82Å; V196-F286 HydrophobicContact CG2-CZ 3.91Å; V196-F286 PolarHBondContact N-O 3.46Å; V196-F286 PolarHBondContact O-N 2.88Å; H198-F286 VanDerWaalsContact O-CD1 3.23Å; H198-F286 WeakPolarHBondContact O-CD1 3.48Å; H198-F286 VanDerWaalsContact O-CE1 3.25Å; H198-F286 WeakPolarHBondContact O-CE1 3.45Å; F203-F286 HydrophobicContact CD2-CE1 4.42Å; F203-F286 AromaticContact CE2-CE1 3.83Å; F203-F286 HydrophobicContact CE2-CE1 3.83Å; F203-F286 HydrophobicContact CE2-CZ 4.04Å; F286-Y294 HydrophobicContact CB-CD2 4.17Å; F286-Y294 HydrophobicContact CB-CE1 4Å; F286-Y294 HydrophobicContact CB-CE2 3.62Å; F286-Y294 VanDerWaalsContact CB-CZ 3.5Å; F286-Y294 AromaticContact CD2-CD1 3.69Å; F286-Y294 HydrophobicContact CD2-CD1 3.69Å; F286-Y294 AromaticContact CD2-CD2 3.68Å; F286-Y294 HydrophobicContact CD2-CD2 3.68Å; F286-Y294 HydrophobicContact CD2-CE1 4.02Å; F286-Y294 HydrophobicContact CD2-CE2 4.02Å; F286-Y294 AromaticContact CD2-CG 3.49Å; F286-Y294 HydrophobicContact CD2-CG 3.49Å; F286-Y294 VanDerWaalsContact CD2-CG 3.49Å; F286-Y294 HydrophobicContact CE2-CD1 4.02Å; F286-Y294 AromaticContact CE2-CG 3.92Å; F286-Y294 HydrophobicContact CE2-CG 3.92Å; F286-Y294 HydrophobicContact CG-CD1 4.09Å; F286-Y294 HydrophobicContact CG-CD2 4.27Å; F286-Y294 AromaticContact CG-CE1 3.94Å; F286-Y294 HydrophobicContact CG-CE1 3.94Å; F286-Y294 HydrophobicContact CG-CE2 4.14Å; F286-Y294 HydrophobicContact CG-CG 4.23Å; F286-Y294 AromaticContact CG-CZ 3.95Å
287V93.2Very high87.6Confident59 Ų5982 Ų8236%0.35844%0.435SS..EExtended strand (participates in β ladder)trans-113.9134.6-178.41790000108.2R195 Y294R195-V287 HydrophobicContact CB-CG2 4.37Å; R195-V287 HydrophobicContact CG-CG2 4.25Å; V287-Y294 WeakPolarHBondContact O-CD2 3.34Å
288I92.4Very high88Confident19 Ų1978.9 Ų78.910%0.09742%0.423CS..  trans-72.1134.2179.2-60.7174.4000109.2L191 G193 L194 V196 L226L191-I288 HydrophobicContact CB-CD1 4.13Å; L191-I288 WeakPolarHBondContact O-CB 3.46Å; G193-I288 WeakPolarHBondContact CA-O 3.3Å; G193-I288 PolarHBondContact N-O 2.88Å; L194-I288 HydrophobicContact CB-CD1 4.34Å; L194-I288 PolarHBondContact O-N 2.92Å; V196-I288 HydrophobicContact CG2-CD1 4.23Å; V196-I288 HydrophobicContact CG2-CG1 4.32Å; L226-I288 HydrophobicContact CD1-CD1 4.4Å
289N92.2Very high88.2Confident66 Ų6675.3 Ų75.335%0.35340%0.404SS..  trans-76.1173.9-178.4-64.5-36000111.9A192 D291 G292 S293A192-N289 WeakPolarHBondContact CA-O 3.44Å; A192-N289 WeakPolarHBondContact CB-O 3.23Å; N289-D291 WeakPolarHBondContact CB-OD1 3.46Å; N289-D291 PolarHBondContact O-N 2.72Å; N289-D291 VanDerWaalsContact O-N 3.11Å; N289-G292 PolarHBondContact O-N 2.98Å; N289-S293 WeakPolarHBondContact CB-O 3.32Å; N289-S293 PolarHBondContact N-O 2.99Å
290S89.5Confident88.5Confident104 Ų10477.1 Ų77.173%0.72740%0.402SS*.THydrogen-bonded Turntrans-61.3-18.3-178.953.90000115.2G292S290-G292 VanDerWaalsContact C-N 3.31Å
291D88.2Confident89.1Confident75 Ų7580.4 Ų80.440%0.40141%0.412SS..THydrogen-bonded Turntrans-83.7-5.3174.865.7-12000113.3N289 S293N289-D291 WeakPolarHBondContact CB-OD1 3.46Å; N289-D291 PolarHBondContact O-N 2.72Å; N289-D291 VanDerWaalsContact O-N 3.11Å; D291-S293 VanDerWaalsContact C-N 3.27Å; D291-S293 WeakPolarHBondContact OD1-CA 3.32Å; D291-S293 PolarHBondContact OD1-N 3.39Å; D291-S293 PolarHBondContact OD1-OG 3.39Å; D291-S293 PolarHBondContact OD2-OG 2.74Å
292G86.9Confident89.4Confident18 Ų1878.3 Ų78.319%0.18640%0.401CS..SBendtrans78.510.6-173.500000113.6P188 N289 S290P188-G292 WeakPolarHBondContact O-CA 3.23Å; N289-G292 PolarHBondContact O-N 2.98Å; S290-G292 VanDerWaalsContact C-N 3.31Å
293S89.1Confident89.6Confident46 Ų4676.6 Ų76.632%0.32239%0.394SS..  trans-120.6169-179.597.40000111.4N289 D291N289-S293 WeakPolarHBondContact CB-O 3.32Å; N289-S293 PolarHBondContact N-O 2.99Å; D291-S293 VanDerWaalsContact C-N 3.27Å; D291-S293 WeakPolarHBondContact OD1-CA 3.32Å; D291-S293 PolarHBondContact OD1-N 3.39Å; D291-S293 PolarHBondContact OD1-OG 3.39Å; D291-S293 PolarHBondContact OD2-OG 2.74Å
294Y89.6Confident89.9Confident66 Ų6679.1 Ų79.126%0.25941%0.407SS..  trans-136121.8175.9-179.1-103.4000109.5F286 V287 E299F286-Y294 HydrophobicContact CB-CD2 4.17Å; F286-Y294 HydrophobicContact CB-CE1 4Å; F286-Y294 HydrophobicContact CB-CE2 3.62Å; F286-Y294 VanDerWaalsContact CB-CZ 3.5Å; F286-Y294 AromaticContact CD2-CD1 3.69Å; F286-Y294 HydrophobicContact CD2-CD1 3.69Å; F286-Y294 AromaticContact CD2-CD2 3.68Å; F286-Y294 HydrophobicContact CD2-CD2 3.68Å; F286-Y294 HydrophobicContact CD2-CE1 4.02Å; F286-Y294 HydrophobicContact CD2-CE2 4.02Å; F286-Y294 AromaticContact CD2-CG 3.49Å; F286-Y294 HydrophobicContact CD2-CG 3.49Å; F286-Y294 VanDerWaalsContact CD2-CG 3.49Å; F286-Y294 HydrophobicContact CE2-CD1 4.02Å; F286-Y294 AromaticContact CE2-CG 3.92Å; F286-Y294 HydrophobicContact CE2-CG 3.92Å; F286-Y294 HydrophobicContact CG-CD1 4.09Å; F286-Y294 HydrophobicContact CG-CD2 4.27Å; F286-Y294 AromaticContact CG-CE1 3.94Å; F286-Y294 HydrophobicContact CG-CE1 3.94Å; F286-Y294 HydrophobicContact CG-CE2 4.14Å; F286-Y294 HydrophobicContact CG-CG 4.23Å; F286-Y294 AromaticContact CG-CZ 3.95Å; V287-Y294 WeakPolarHBondContact O-CD2 3.34Å; Y294-E299 WeakPolarHBondContact OH-CB 3.31Å; Y294-E299 VanDerWaalsContact OH-CG 3.24Å; Y294-E299 WeakPolarHBondContact OH-CG 3.42Å; Y294-E299 PolarHBondContact OH-OE2 3.38Å
295N89.9Confident90.1Very high75 Ų7578 Ų7840%0.40140%0.401SS..  trans-92.6117.6-179.7-69.7-26.6000110.7E297 D298 E299N295-E297 VanDerWaalsContact C-N 3.28Å; N295-E297 PolarHBondContact O-N 2.86Å; N295-D298 HydrophobicContact CB-CB 4.12Å; N295-D298 VanDerWaalsContact CB-OD2 3.26Å; N295-D298 WeakPolarHBondContact CB-OD2 3.37Å; N295-D298 PolarHBondContact ND2-OD2 3.35Å; N295-D298 VanDerWaalsContact ND2-OD2 3.08Å; N295-D298 PolarHBondContact O-N 3.17Å; N295-E299 PolarHBondContact O-N 2.89Å
296T86.7Confident90.1Very high63 Ų6377.4 Ų77.439%0.38740%0.398SS..Hα-helixtrans-68.6-26.3176.355.60000112.8E299 R300T296-E299 WeakPolarHBondContact O-CB 3.35Å; T296-E299 PolarHBondContact O-N 3.21Å; T296-R300 WeakPolarHBondContact O-CG 3.44Å; T296-R300 PolarHBondContact O-N 3.37Å; T296-R300 VanDerWaalsContact O-N 3.09Å
297E89.9Confident90Very high111 Ų11178.9 Ų78.952%0.51942%0.415SS..Hα-helixtrans-70.4-38.4176.6-65-54.7138.300112.2N295 E299 R300 L301N295-E297 VanDerWaalsContact C-N 3.28Å; N295-E297 PolarHBondContact O-N 2.86Å; E297-E299 VanDerWaalsContact C-N 3.27Å; E297-E299 PolarHBondContact O-N 3.47Å; E297-R300 WeakPolarHBondContact O-CB 3.46Å; E297-R300 PolarHBondContact O-N 2.8Å; E297-R300 VanDerWaalsContact O-N 3.16Å; E297-R300 IonicContact OE1-CZ 3.69Å; E297-R300 IonicContact OE1-NH1 2.74Å; E297-R300 PolarHBondContact OE1-NH1 3.05Å; E297-R300 IonicContact OE2-NH1 3.66Å; E297-L301 WeakPolarHBondContact O-CB 3.44Å; E297-L301 PolarHBondContact O-N 3.49Å
298D88.4Confident90Very high90 Ų9082 Ų8248%0.48143%0.425SS..Hα-helixtrans-63.6-37.8175.4-65.3-21.9000110.5N295 L302N295-D298 HydrophobicContact CB-CB 4.12Å; N295-D298 VanDerWaalsContact CB-OD2 3.26Å; N295-D298 WeakPolarHBondContact CB-OD2 3.37Å; N295-D298 PolarHBondContact ND2-OD2 3.35Å; N295-D298 VanDerWaalsContact ND2-OD2 3.08Å; N295-D298 PolarHBondContact O-N 3.17Å; D298-L302 WeakPolarHBondContact O-CB 3.24Å; D298-L302 PolarHBondContact O-N 3.05Å
299E88Confident89.8Confident35 Ų3586.9 Ų86.916%0.16445%0.451CS..Hα-helixtrans-61-45.5172.4-167.8-164152.400112S200 Y294 N295 T296 E297 L302 K303S200-E299 WeakPolarHBondContact CB-OE2 3.3Å; S200-E299 PolarHBondContact OG-OE2 2.79Å; Y294-E299 WeakPolarHBondContact OH-CB 3.31Å; Y294-E299 VanDerWaalsContact OH-CG 3.24Å; Y294-E299 WeakPolarHBondContact OH-CG 3.42Å; Y294-E299 PolarHBondContact OH-OE2 3.38Å; N295-E299 PolarHBondContact O-N 2.89Å; T296-E299 WeakPolarHBondContact O-CB 3.35Å; T296-E299 PolarHBondContact O-N 3.21Å; E297-E299 VanDerWaalsContact C-N 3.27Å; E297-E299 PolarHBondContact O-N 3.47Å; E299-L302 PolarHBondContact O-N 2.77Å; E299-K303 HydrophobicContact CG-CD 4.46Å; E299-K303 WeakPolarHBondContact O-CB 3.45Å; E299-K303 WeakPolarHBondContact O-CG 3.47Å; E299-K303 PolarHBondContact O-N 3.43Å; E299-K303 VanDerWaalsContact OE1-CE 3.32Å; E299-K303 WeakPolarHBondContact OE1-CE 3.45Å; E299-K303 IonicContact OE1-NZ 3.86Å; E299-K303 PolarHBondContact OE1-NZ 2.83Å
300R88.5Confident89.5Confident154 Ų15490.6 Ų90.658%0.58146%0.464SS*.Hα-helixtrans-64.1-45.6178.9-74.1172.3175.2177-1.6111.6T296 E297 L302 K303 Q304T296-R300 WeakPolarHBondContact O-CG 3.44Å; T296-R300 PolarHBondContact O-N 3.37Å; T296-R300 VanDerWaalsContact O-N 3.09Å; E297-R300 WeakPolarHBondContact O-CB 3.46Å; E297-R300 PolarHBondContact O-N 2.8Å; E297-R300 VanDerWaalsContact O-N 3.16Å; E297-R300 IonicContact OE1-CZ 3.69Å; E297-R300 IonicContact OE1-NH1 2.74Å; E297-R300 PolarHBondContact OE1-NH1 3.05Å; E297-R300 IonicContact OE2-NH1 3.66Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 3.31Å; R300-K303 PolarHBondContact O-N 3.35Å; R300-Q304 PolarHBondContact O-N 3.43Å
301L91.7Very high89.2Confident100 Ų10094 Ų9452%0.52447%0.468SS..Hα-helixtrans-61-45.2177.2-174.5152000110.6E297 K303 Q304 L305E297-L301 WeakPolarHBondContact O-CB 3.44Å; E297-L301 PolarHBondContact O-N 3.49Å; L301-K303 PolarHBondContact O-N 3.28Å; L301-Q304 WeakPolarHBondContact O-CB 3.35Å; L301-Q304 PolarHBondContact O-N 2.89Å; L301-L305 HydrophobicContact CD2-CD1 3.63Å; L301-L305 HydrophobicContact CD2-CG 4.12Å; L301-L305 WeakPolarHBondContact O-CG 3.27Å; L301-L305 PolarHBondContact O-N 2.72Å
302L89.1Confident88.9Confident95 Ų9593 Ų9350%0.49748%0.476SS..Hα-helixtrans-62.2-42.6177.2-176.462000111.9D298 E299 R300 Q304 L305 Q306D298-L302 WeakPolarHBondContact O-CB 3.24Å; D298-L302 PolarHBondContact O-N 3.05Å; E299-L302 PolarHBondContact O-N 2.77Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 3.31Å; L302-Q304 VanDerWaalsContact C-N 3.32Å; L302-Q304 PolarHBondContact O-N 3.27Å; L302-L305 PolarHBondContact O-N 3.2Å; L302-Q306 WeakPolarHBondContact O-CG 3.44Å; L302-Q306 PolarHBondContact O-N 3.03Å
303K85.6Confident88.4Confident110 Ų110101.5 Ų101.548%0.47850%0.503SS..Hα-helixtrans-61.2-40.2174.9-80.2175171.9171.50111.9E299 R300 L301 Q306 A307E299-K303 HydrophobicContact CG-CD 4.46Å; E299-K303 WeakPolarHBondContact O-CB 3.45Å; E299-K303 WeakPolarHBondContact O-CG 3.47Å; E299-K303 PolarHBondContact O-N 3.43Å; E299-K303 VanDerWaalsContact OE1-CE 3.32Å; E299-K303 WeakPolarHBondContact OE1-CE 3.45Å; E299-K303 IonicContact OE1-NZ 3.86Å; E299-K303 PolarHBondContact OE1-NZ 2.83Å; R300-K303 PolarHBondContact O-N 3.35Å; L301-K303 PolarHBondContact O-N 3.28Å; K303-Q306 PolarHBondContact O-N 3.43Å; K303-A307 PolarHBondContact O-N 3.45Å
304Q94Very high87.7Confident136 Ų136108.6 Ų108.664%0.63653%0.53SS*.Hα-helixtrans-63.2-48175.4-176.9176.5-6.800111.6R300 L301 L302 Q306 A307 E308R300-Q304 PolarHBondContact O-N 3.43Å; L301-Q304 WeakPolarHBondContact O-CB 3.35Å; L301-Q304 PolarHBondContact O-N 2.89Å; L302-Q304 VanDerWaalsContact C-N 3.32Å; L302-Q304 PolarHBondContact O-N 3.27Å; Q304-Q306 VanDerWaalsContact C-N 3.3Å; Q304-Q306 PolarHBondContact O-N 3.18Å; Q304-A307 WeakPolarHBondContact O-CB 3.45Å; Q304-A307 PolarHBondContact O-N 3.12Å; Q304-A307 VanDerWaalsContact O-N 3.14Å; Q304-E308 PolarHBondContact O-N 2.74Å
305L94.5Very high87.2Confident82 Ų82110.4 Ų110.443%0.42955%0.553SS.*Hα-helixtrans-61.4-37.9176.4-69.5-179.6000112.3L301 L302 E308 L309L301-L305 HydrophobicContact CD2-CD1 3.63Å; L301-L305 HydrophobicContact CD2-CG 4.12Å; L301-L305 WeakPolarHBondContact O-CG 3.27Å; L301-L305 PolarHBondContact O-N 2.72Å; L302-L305 PolarHBondContact O-N 3.2Å; L305-E308 PolarHBondContact O-N 2.99Å; L305-L309 WeakPolarHBondContact O-CB 3.44Å; L305-L309 WeakPolarHBondContact O-CG 3.4Å; L305-L309 PolarHBondContact O-N 2.75Å
306Q92.6Very high86.4Confident96 Ų96113.9 Ų113.945%0.44957%0.571SS.*Hα-helixtrans-65.9-37.8174.9-75.5-177.8-0.600112.6L302 K303 Q304 K310L302-Q306 WeakPolarHBondContact O-CG 3.44Å; L302-Q306 PolarHBondContact O-N 3.03Å; K303-Q306 PolarHBondContact O-N 3.43Å; Q304-Q306 VanDerWaalsContact C-N 3.3Å; Q304-Q306 PolarHBondContact O-N 3.18Å; Q306-K310 WeakPolarHBondContact O-CB 3.46Å; Q306-K310 VanDerWaalsContact O-CG 3.27Å; Q306-K310 WeakPolarHBondContact O-CG 3.37Å; Q306-K310 PolarHBondContact O-N 2.82Å
307A90.3Very high85.9Confident56 Ų56115.9 Ų115.946%0.46359%0.585SS.*Hα-helixtrans-65.9-45.6175.200000110.9K303 Q304 L309 K310 E311K303-A307 PolarHBondContact O-N 3.45Å; Q304-A307 WeakPolarHBondContact O-CB 3.45Å; Q304-A307 PolarHBondContact O-N 3.12Å; Q304-A307 VanDerWaalsContact O-N 3.14Å; A307-L309 PolarHBondContact O-N 2.72Å; A307-K310 WeakPolarHBondContact O-CB 3.47Å; A307-K310 PolarHBondContact O-N 3.34Å; A307-K310 VanDerWaalsContact O-N 3.14Å; A307-E311 PolarHBondContact O-N 2.88Å
308E92Very high85.1Confident124 Ų124118.2 Ų118.258%0.57960%0.601SS**Hα-helixtrans-60.1-44.3175.9-175.2177.2170.800111.9Q304 L305 K310 E311 G312Q304-E308 PolarHBondContact O-N 2.74Å; L305-E308 PolarHBondContact O-N 2.99Å; E308-K310 VanDerWaalsContact C-N 3.31Å; E308-K310 PolarHBondContact O-N 3.35Å; E308-E311 PolarHBondContact O-N 3.49Å; E308-G312 PolarHBondContact O-N 2.94Å
309L89.7Confident84.3Confident122 Ų122119.6 Ų119.664%0.63961%0.612SS**Hα-helixtrans-64.5-33.6175.3-76.7174.4000113L305 A307 R313L305-L309 WeakPolarHBondContact O-CB 3.44Å; L305-L309 WeakPolarHBondContact O-CG 3.4Å; L305-L309 PolarHBondContact O-N 2.75Å; A307-L309 PolarHBondContact O-N 2.72Å; L309-R313 WeakPolarHBondContact O-CG 3.42Å; L309-R313 PolarHBondContact O-N 2.74Å
310K84.6Confident83.8Confident144 Ų144124.7 Ų124.763%0.62664%0.636SS**Hα-helixtrans-69.9-44.4175.6-79173.5-176.9175.60111.2Q306 A307 E308 G312 R313Q306-K310 WeakPolarHBondContact O-CB 3.46Å; Q306-K310 VanDerWaalsContact O-CG 3.27Å; Q306-K310 WeakPolarHBondContact O-CG 3.37Å; Q306-K310 PolarHBondContact O-N 2.82Å; A307-K310 WeakPolarHBondContact O-CB 3.47Å; A307-K310 PolarHBondContact O-N 3.34Å; A307-K310 VanDerWaalsContact O-N 3.14Å; E308-K310 VanDerWaalsContact C-N 3.31Å; E308-K310 PolarHBondContact O-N 3.35Å; K310-G312 VanDerWaalsContact C-N 3.3Å; K310-R313 WeakPolarHBondContact O-CB 3.39Å; K310-R313 PolarHBondContact O-N 3.25Å
311E84Confident83.1Confident175 Ų175126.1 Ų126.182%0.81865%0.654SS**Hα-helixtrans-64.1-37.5175.8-173174.717800111.6A307 E308 R313A307-E311 PolarHBondContact O-N 2.88Å; E308-E311 PolarHBondContact O-N 3.49Å; E311-R313 PolarHBondContact O-N 3.26Å
312G82.3Confident82.5Confident54 Ų54129.5 Ų129.556%0.55766%0.66SS**THydrogen-bonded Turntrans-70.6-5174.300000115.3E308 K310 Q314E308-G312 PolarHBondContact O-N 2.94Å; K310-G312 VanDerWaalsContact C-N 3.3Å; G312-Q314 PolarHBondContact O-N 3.19Å
313R75.9Confident82Confident198 Ų198132.8 Ų132.875%0.74768%0.677SS**  trans-72.296.6177.7-65.9-156.9-177.4-92.7-0.1110.7L309 K310 E311 S315L309-R313 WeakPolarHBondContact O-CG 3.42Å; L309-R313 PolarHBondContact O-N 2.74Å; K310-R313 WeakPolarHBondContact O-CB 3.39Å; K310-R313 PolarHBondContact O-N 3.25Å; E311-R313 PolarHBondContact O-N 3.26Å; R313-S315 PolarHBondContact O-N 3.44Å
314Q74.7Confident81.4Confident194 Ų194132.3 Ų132.391%0.90769%0.694SS**  trans-77.8102165.4-62.2176.711.400108.7G312G312-Q314 PolarHBondContact O-N 3.19Å
315S78.8Confident80.9Confident104 Ų104130.1 Ų130.173%0.72769%0.693SS**PPolyproline II helixtrans-76.1132.2169.156.20000109.8R313 P317R313-S315 PolarHBondContact O-N 3.44Å; S315-P317 WeakPolarHBondContact O-CD 2.96Å
316L73.8Confident80.3Confident149 Ų149134.5 Ų134.578%0.7871%0.711SS**PPolyproline II helixtrans-61.7120.5165-177.170.3000107.3D318L316-D318 PolarHBondContact O-N 2.75Å
317P75Confident79.7Confident104 Ų104138.9 Ų138.968%0.67573%0.725SS**PPolyproline II helixtrans-59.7132.3173.424-32.2000108.7S315 T319S315-P317 WeakPolarHBondContact O-CD 2.96Å; P317-T319 PolarHBondContact O-N 2.99Å; P317-T319 VanDerWaalsContact O-N 3.14Å
318D73.2Confident79.1Confident160 Ų160142.3 Ų142.386%0.85673%0.727SS**PPolyproline II helixtrans-53122.3177-70.6-31.5000108.9L316 E320L316-D318 PolarHBondContact O-N 2.75Å; D318-E320 PolarHBondContact O-N 2.9Å; D318-E320 VanDerWaalsContact O-N 3.09Å
319T72.9Confident78.6Confident119 Ų119139.2 Ų139.273%0.7372%0.719SS**PPolyproline II helixtrans-63.6116.8176.753.90000107.8P317 L321P317-T319 PolarHBondContact O-N 2.99Å; P317-T319 VanDerWaalsContact O-N 3.14Å; T319-L321 PolarHBondContact O-N 3.41Å
320E75.8Confident78.1Confident142 Ų142138.6 Ų138.666%0.66473%0.725SS**  trans-45.5130.7175.1-63.4172.5166.700110.3D318 R322D318-E320 PolarHBondContact O-N 2.9Å; D318-E320 VanDerWaalsContact O-N 3.09Å; E320-R322 PolarHBondContact O-N 2.87Å; E320-R322 IonicContact OE2-CZ 3.34Å; E320-R322 IonicContact OE2-NE 2.71Å; E320-R322 IonicContact OE2-NH2 2.76Å; E320-R322 PolarHBondContact OE2-NH2 3.34Å
321L75.5Confident77.7Confident184 Ų184139.3 Ų139.396%0.96373%0.731SS**  trans-6591.8-179.7-63171.6000109.9T319T319-L321 PolarHBondContact O-N 3.41Å
322R77.6Confident77.4Confident172 Ų172133.8 Ų133.865%0.64970%0.704SS**  trans-94.9137.7174-65.1-177.3-175.9161.85.1110E320 A324 E332E320-R322 PolarHBondContact O-N 2.87Å; E320-R322 IonicContact OE2-CZ 3.34Å; E320-R322 IonicContact OE2-NE 2.71Å; E320-R322 IonicContact OE2-NH2 2.76Å; E320-R322 PolarHBondContact OE2-NH2 3.34Å; R322-A324 PolarHBondContact O-N 3.05Å; R322-E332 IonicContact NH1-OE1 3.81Å
323I80.3Confident77.1Confident163 Ų163135.9 Ų135.984%0.83670%0.701SS**  trans-57126.6170.3-73.492.7000107.9S325I323-S325 PolarHBondContact O-N 3.24Å
324A72.1Confident77.1Confident101 Ų101129.5 Ų129.584%0.83569%0.691SS**  trans-62.298.6-177.500000110.6R322R322-A324 PolarHBondContact O-N 3.05Å
325S83.7Confident76.9Confident89 Ų89123.8 Ų123.862%0.62268%0.676SS**  trans-86.7129.1168.257.90000109.5I323 Y327I323-S325 PolarHBondContact O-N 3.24Å; S325-Y327 PolarHBondContact O-N 2.9Å; S325-Y327 VanDerWaalsContact O-N 3.11Å; S325-Y327 PolarHBondContact OG-O 3.43Å
326E82Confident76.5Confident175 Ų175125 Ų12582%0.81867%0.669SS**SBendtrans-64.8-12.5178.9-61.3-166.6160.800113.7
327Y80.1Confident76.7Confident188 Ų188124 Ų12474%0.73766%0.658SS**SBendtrans-112.5131.4179.7-57.5-83000110.4S325S325-Y327 PolarHBondContact O-N 2.9Å; S325-Y327 VanDerWaalsContact O-N 3.11Å; S325-Y327 PolarHBondContact OG-O 3.43Å
328Y77.9Confident76.5Confident127 Ų127127.4 Ų127.450%0.49866%0.662SS.*  trans-69.7137.4172.2-71.4-72000110.7E332 M333 K336 F337Y328-E332 HydrophobicContact CD1-CB 4.4Å; Y328-M333 VanDerWaalsContact CB-CG 3.46Å; Y328-M333 HydrophobicContact CG-CG 4.37Å; Y328-K336 HydrophobicContact CE1-CD 4.27Å; Y328-F337 HydrophobicContact CD2-CE2 4.46Å
329S80.6Confident76.7Confident59 Ų59129.4 Ų129.441%0.41366%0.664SS.*  trans-61.2149.6168.6165.70000110.8E331 E332 M333S329-E331 PolarHBondContact O-N 2.75Å; S329-E331 PolarHBondContact OG-N 2.98Å; S329-E332 PolarHBondContact N-OE2 2.95Å; S329-E332 PolarHBondContact O-N 3.24Å; S329-M333 PolarHBondContact O-N 3.32Å
330S78.5Confident76.8Confident109 Ų109135 Ų13576%0.76267%0.671SS**Hα-helixtrans-54.5-34.4177.5-62.30000112.9A334S330-A334 PolarHBondContact O-N 3.36Å
331E76.2Confident76.7Confident160 Ų160137.4 Ų137.475%0.74868%0.679SS**Hα-helixtrans-71.6-40174.6-90.9172.815000112.5S329 M333 A334 A335S329-E331 PolarHBondContact O-N 2.75Å; S329-E331 PolarHBondContact OG-N 2.98Å; E331-M333 VanDerWaalsContact C-N 3.35Å; E331-A334 PolarHBondContact O-N 2.76Å; E331-A335 PolarHBondContact O-N 3.16Å
332E77.7Confident76.5Confident58 Ų58140.3 Ų140.327%0.27168%0.678SS.*Hα-helixtrans-68.5-36.5177.9-64.5-179.4158.800111.6R322 Y328 S329 A334 A335 K336R322-E332 IonicContact NH1-OE1 3.81Å; Y328-E332 HydrophobicContact CD1-CB 4.4Å; S329-E332 PolarHBondContact N-OE2 2.95Å; S329-E332 PolarHBondContact O-N 3.24Å; E332-A334 VanDerWaalsContact C-N 3.32Å; E332-A334 PolarHBondContact O-N 3.3Å; E332-A335 PolarHBondContact O-N 3.46Å; E332-K336 WeakPolarHBondContact O-CB 3.27Å; E332-K336 WeakPolarHBondContact O-CG 3.41Å; E332-K336 PolarHBondContact O-N 3.03Å
333M76.9Confident76.3Confident99 Ų99142.8 Ų142.849%0.48869%0.687SS.*Hα-helixtrans-63.2-39173.5-74-123.4-76.300111.6Y328 S329 E331 F337Y328-M333 VanDerWaalsContact CB-CG 3.46Å; Y328-M333 HydrophobicContact CG-CG 4.37Å; S329-M333 PolarHBondContact O-N 3.32Å; E331-M333 VanDerWaalsContact C-N 3.35Å; M333-F337 HydrophobicContact CB-CD2 4.34Å; M333-F337 HydrophobicContact CG-CD2 4.44Å; M333-F337 WeakPolarHBondContact O-CA 3.29Å; M333-F337 VanDerWaalsContact O-CB 3.29Å; M333-F337 WeakPolarHBondContact O-CB 3.45Å; M333-F337 WeakPolarHBondContact O-CD2 3.43Å; M333-F337 PolarHBondContact O-N 3.47Å; M333-F337 HydrophobicContact SD-CD2 4.36Å; M333-F337 HydrophobicContact SD-CE2 4.41Å
334A75.2Confident75.9Confident64 Ų64142.6 Ų142.653%0.52969%0.686SS.*Hα-helixtrans-71-36.1177.400000112.9S330 E331 E332S330-A334 PolarHBondContact O-N 3.36Å; E331-A334 PolarHBondContact O-N 2.76Å; E332-A334 VanDerWaalsContact C-N 3.32Å; E332-A334 PolarHBondContact O-N 3.3Å
335A71.5Confident75.4Confident73 Ų73147.2 Ų147.260%0.60369%0.687SS**Hα-helixtrans-71.1-44.7177.800000112.2E331 E332E331-A335 PolarHBondContact O-N 3.16Å; E332-A335 PolarHBondContact O-N 3.46Å
336K70.6Confident74.6Confident131 Ų131148 Ų14857%0.5769%0.688SS**Hα-helixtrans-83.9-35.8-175.7-66.4178.7179.5176.10113.2Y328 E332Y328-K336 HydrophobicContact CE1-CD 4.27Å; E332-K336 WeakPolarHBondContact O-CB 3.27Å; E332-K336 WeakPolarHBondContact O-CG 3.41Å; E332-K336 PolarHBondContact O-N 3.03Å
337F76.5Confident73.5Confident127 Ų127147.9 Ų147.956%0.55769%0.691SS**  trans-108.357.8-175-54.8-76.5000112.4Y328 M333 K339Y328-F337 HydrophobicContact CD2-CE2 4.46Å; M333-F337 HydrophobicContact CB-CD2 4.34Å; M333-F337 HydrophobicContact CG-CD2 4.44Å; M333-F337 WeakPolarHBondContact O-CA 3.29Å; M333-F337 VanDerWaalsContact O-CB 3.29Å; M333-F337 WeakPolarHBondContact O-CB 3.45Å; M333-F337 WeakPolarHBondContact O-CD2 3.43Å; M333-F337 PolarHBondContact O-N 3.47Å; M333-F337 HydrophobicContact SD-CD2 4.36Å; M333-F337 HydrophobicContact SD-CE2 4.41Å; F337-K339 PolarHBondContact O-N 3.41Å; F337-K339 VanDerWaalsContact O-N 3.15Å
338K72.4Confident72.2Confident175 Ų175149 Ų14976%0.76170%0.695SS**  trans-70.5108.9162.2-74.6-1791761760108.9R340K338-R340 PolarHBondContact O-N 2.6Å
339K76.3Confident71.5Confident203 Ų203151.8 Ų151.888%0.88371%0.712SS**  trans-55112.4171.9-67.9178.7-178.1175.30108.7F337 K341F337-K339 PolarHBondContact O-N 3.41Å; F337-K339 VanDerWaalsContact O-N 3.15Å; K339-K341 PolarHBondContact O-N 3.34Å; K339-K341 VanDerWaalsContact O-N 3.1Å
340R74.4Confident70.6Confident236 Ų236153.1 Ų153.189%0.89173%0.727SS**  trans-55.4117.6173.560.3-174179.9-136.3-0.9109.1K338 R342K338-R340 PolarHBondContact O-N 2.6Å; R340-R342 PolarHBondContact O-N 3.07Å
341K74.5Confident69.9Low192 Ų192153.5 Ų153.584%0.83572%0.719SS**  trans-70.4122.5166.9-68.1-173.9-179.6-179.80106.9K339 R343K339-K341 PolarHBondContact O-N 3.34Å; K339-K341 VanDerWaalsContact O-N 3.1Å; K341-R343 PolarHBondContact O-N 3.41Å
342R72.5Confident69.6Low246 Ų246151 Ų15193%0.92872%0.715SS**  trans-59.9104.9170.5-67.8-177.1179.4-177.1-0.5107.2R340R340-R342 PolarHBondContact O-N 3.07Å
343R71.9Confident68.9Low224 Ų224151.3 Ų151.385%0.84573%0.728SS**  trans-80.8125.3167.9-60.6-156.282.9172.55.5107.4K341 K345K341-R343 PolarHBondContact O-N 3.41Å; R343-K345 PolarHBondContact O-N 2.95Å
344I71.5Confident68.5Low158 Ų158152.9 Ų152.981%0.8174%0.738SS**  trans-60120166.8-60.8167.8000105.6T346I344-T346 PolarHBondContact O-N 2.82Å
345K63.5Low68.2Low199 Ų199155.6 Ų155.687%0.86574%0.74SS**  trans-67.1101.3176.9-65.9178.6178.7-177.30106.9R343 I347R343-K345 PolarHBondContact O-N 2.95Å; K345-I347 PolarHBondContact O-N 3.38Å
346T64.9Low67.6Low105 Ų105158.8 Ų158.864%0.64475%0.746SS**  trans-71.4125.3157.649.60000106.6I344 R348I344-T346 PolarHBondContact O-N 2.82Å; T346-R348 PolarHBondContact O-N 3.25Å
347I59Low67.1Low172 Ų172158.9 Ų158.988%0.88275%0.752SS**  trans-55.6104.2176.8-62.3159.8000106.5K345K345-I347 PolarHBondContact O-N 3.38Å
348R54.3Low66.3Low213 Ų213157.5 Ų157.580%0.80476%0.758SS**  trans-97.1132.6163.7-64.7-172.5-167-165.30106.1T346 A350T346-R348 PolarHBondContact O-N 3.25Å; R348-A350 PolarHBondContact O-N 2.77Å; R348-A350 VanDerWaalsContact O-N 3.12Å
349Q63.1Low65.3Low185 Ų185157.4 Ų157.486%0.86476%0.761SS**  trans-45.1115.4-177.2-67.8161.9-27.400109.2L351Q349-L351 PolarHBondContact O-N 3.44Å
350A60.3Low63.6Low87 Ų87155.1 Ų155.172%0.71976%0.757SS**PPolyproline II helixtrans-71122.117000000106.5R348 T352R348-A350 PolarHBondContact O-N 2.77Å; R348-A350 VanDerWaalsContact O-N 3.12Å; A350-T352 PolarHBondContact O-N 2.92Å
351L64.4Low62Low116 Ų116149.8 Ų149.861%0.60775%0.753SS**PPolyproline II helixtrans-57125.7170-56.2174.8000106.9Q349 E355Q349-L351 PolarHBondContact O-N 3.44Å; L351-E355 VanDerWaalsContact CD2-OE2 3.32Å; L351-E355 WeakPolarHBondContact CD2-OE2 3.2Å
352T69.4Low60.6Low107 Ų107148.5 Ų148.566%0.65675%0.75SS**PPolyproline II helixtrans-79.3146.3-173-56.40000108.3A350 D354 E355A350-T352 PolarHBondContact O-N 2.92Å; T352-D354 PolarHBondContact O-N 3.43Å; T352-E355 WeakPolarHBondContact O-CB 3.3Å; T352-E355 PolarHBondContact O-N 2.82Å
353A64.5Low59.2Low66 Ų66144.3 Ų144.355%0.54574%0.741SS.*G310 helixtrans-50.5-31.7-169.400000114.4E355 L356 L357A353-E355 VanDerWaalsContact C-N 3.3Å; A353-E355 PolarHBondContact O-N 3.5Å; A353-L356 PolarHBondContact O-N 3.43Å; A353-L356 VanDerWaalsContact O-N 3.13Å; A353-L357 WeakPolarHBondContact O-CD1 3.29Å; A353-L357 PolarHBondContact O-N 3.31Å
354D67.4Low57.8Low132 Ų132142 Ų14271%0.70674%0.744SS**G310 helixtrans-63-30.3177-88.40.4000114.3T352 L356 L357T352-D354 PolarHBondContact O-N 3.43Å; D354-L356 PolarHBondContact O-N 3.41Å; D354-L357 PolarHBondContact O-N 2.9Å
355E69.5Low56.4Low121 Ų121140 Ų14057%0.56575%0.745SS**G310 helixtrans-67.8-24.9177.7-166.3174.217000111.4L351 T352 A353L351-E355 VanDerWaalsContact CD2-OE2 3.32Å; L351-E355 WeakPolarHBondContact CD2-OE2 3.2Å; T352-E355 WeakPolarHBondContact O-CB 3.3Å; T352-E355 PolarHBondContact O-N 2.82Å; A353-E355 VanDerWaalsContact C-N 3.3Å; A353-E355 PolarHBondContact O-N 3.5Å
356L57.9Low55.7Low139 Ų139136.1 Ų136.173%0.72874%0.743SS**G310 helixtrans-89.8-5.6177.2-63.1178.9000113.7A353 D354A353-L356 PolarHBondContact O-N 3.43Å; A353-L356 VanDerWaalsContact O-N 3.13Å; D354-L356 PolarHBondContact O-N 3.41Å
357L60.9Low54.5Low133 Ų133135.8 Ų135.870%0.69675%0.745SS**SBendtrans-103.1-3.6-176.5-92.6121.5000114.2A353 D354A353-L357 WeakPolarHBondContact O-CD1 3.29Å; A353-L357 PolarHBondContact O-N 3.31Å; D354-L357 PolarHBondContact O-N 2.9Å
358S59.8Low54Low98 Ų98134.9 Ų134.969%0.68574%0.742SS**SBendtrans-92.2-5.3-174.666.40000116.3
359E51.1Low53.9Low174 Ų174132.7 Ų132.781%0.81375%0.745SS**SBendtrans-135.162.7179.7-72.2-173.1166.200112.3
360L40.2Very low53Low154 Ų154126.2 Ų126.281%0.80673%0.728SS**  trans-162.1124.6152.3-108138.2000111.9E362L360-E362 PolarHBondContact O-N 3.47Å
361P41.6Very low52.7Low124 Ų124127.8 Ų127.881%0.80573%0.734SS**  trans-6997.8172.922.1-21.8000110.3
362E45.6Very low51.7Low166 Ų166134.1 Ų134.178%0.77675%0.749SS**  trans27.5115.2130.9-85.7-169.9-165.900119.3L360L360-E362 PolarHBondContact O-N 3.47Å
363Q43Very low50.6Low157 Ų157133.9 Ų133.973%0.73475%0.752SS**  trans81.676.8143.7-46.1-53.4-42.800119.7
364L42.2Very low49.8Very low176 Ų176136.9 Ų136.992%0.92176%0.764SS**  trans-137.8117.5133.6-82.1179.4000110.7S366L364-S366 PolarHBondContact O-N 2.95Å
365S42.3Very low48.5Very low117 Ų117137.2 Ų137.282%0.81877%0.77SS**  trans-60.1109.5-178.651.90000113.3
366S47.4Very low47Very low117 Ų117142.2 Ų142.282%0.81878%0.784SS**  trans-10195.8158.265.60000108.8L364 D368L364-S366 PolarHBondContact O-N 2.95Å; S366-D368 PolarHBondContact O-N 2.8Å
367S41.4Very low46Very low98 Ų98143.9 Ų143.969%0.68579%0.788SS**  trans-61.4125.3168.956.60000110L369S367-L369 PolarHBondContact O-N 3.44Å
368D47.8Very low44.9Very low153 Ų153143.2 Ų143.282%0.81879%0.794SS**  trans-56.7116.4173-173.914.1000111.1S366 G370S366-D368 PolarHBondContact O-N 2.8Å; D368-G370 PolarHBondContact O-N 3.03Å
369L53Low43.7Very low167 Ų167148.6 Ų148.687%0.87480%0.8SS**  trans-80.769176.4-65.2176.5000109.4S367S367-L369 PolarHBondContact O-N 3.44Å
370G42.9Very low43.2Very low49 Ų49148.5 Ų148.551%0.50580%0.804SS.*  trans-68.1155.1-179.200000114.9D368D368-G370 PolarHBondContact O-N 3.03Å
371S53.9Low42.8Very low120 Ų120148.6 Ų148.684%0.83981%0.805SS**  trans83.279.3153.763.40000120.2S373S371-S373 PolarHBondContact O-N 2.8Å; S371-S373 VanDerWaalsContact O-N 3.16Å
372R44.8Very low42.8Very low248 Ų248147.8 Ų147.894%0.93680%0.802SS**  trans-69.899.3150.3-71.6173.980.9168.44.3108.7T374R372-T374 PolarHBondContact O-N 3.33Å
373S44.9Very low42.2Very low102 Ų102147.2 Ų147.271%0.71381%0.805SS**  trans-62.8120.5168.758.30000109.5S371 V375S371-S373 PolarHBondContact O-N 2.8Å; S371-S373 VanDerWaalsContact O-N 3.16Å; S373-V375 PolarHBondContact O-N 3.28Å; S373-V375 VanDerWaalsContact O-N 3.13Å
374T48.4Very low42Very low129 Ų129147.1 Ų147.179%0.79181%0.808SS**  trans-72.6100.5171.251.70000108.1R372 R376R372-T374 PolarHBondContact O-N 3.33Å; T374-R376 PolarHBondContact O-N 2.88Å
375V40.6Very low41.6Very low139 Ų139144.4 Ų144.484%0.84280%0.8SS**  trans-64.8103169.3175.10000107.4S373S373-V375 PolarHBondContact O-N 3.28Å; S373-V375 VanDerWaalsContact O-N 3.13Å
376R36.8Very low41Very low227 Ų227144.5 Ų144.586%0.85780%0.801SS**  trans-83.6131.4-179.7-152.4174.2-170.8159.51.2108.2T374 S378T374-R376 PolarHBondContact O-N 2.88Å; R376-S378 PolarHBondContact O-N 3.4Å
377E36.5Very low40.5Very low173 Ų173143.4 Ų143.481%0.80880%0.799SS**  trans-33.3117.3174.2-63.6167.7141.700114.6
378S39.1Very low40.4Very low119 Ų119145.3 Ų145.383%0.83280%0.802SS**  trans-102.3105.2158.460.60000109.1R376R376-S378 PolarHBondContact O-N 3.4Å
379R34.5Very low39.9Very low211 Ų211145.1 Ų145.180%0.79680%0.801SS**  trans-63.4128.2170.5-58.8168.4-176.2152.60.3109.9
380L40.6Very low39.1Very low173 Ų173143.5 Ų143.591%0.90680%0.798SS**  trans-143108.8146.8-75.4-176.8000109.4
381N32Very low38.7Very low156 Ų156150.2 Ų150.283%0.83481%0.813SS**  trans-64.4126.9168.7-69.2-26.8000110.1
382S40.7Very low37.6Very low106 Ų106149.4 Ų149.474%0.74181%0.808SS**  trans-124.3111.4152.560.60000108.7I384S382-I384 PolarHBondContact O-N 2.97Å
383N34.4Very low37Very low155 Ų155142.5 Ų142.583%0.82980%0.804SS**  trans-55.6122.8177.9-62.9-60000111.7
384I37.5Very low36.6Very low155 Ų155145.8 Ų145.880%0.79581%0.808SS**  trans-114.2122159.9-61.1172.4000106.2S382S382-I384 PolarHBondContact O-N 2.97Å
385P33.2Very low36.1Very low118 Ų118148.2 Ų148.277%0.76681%0.81SS**  trans-74.6131.5-171.6-622.6000111.2A387P385-A387 PolarHBondContact O-N 3.42Å
386S30.3Very low35.9Very low120 Ų120152.3 Ų152.384%0.83982%0.817SS**  trans-65.9110.7165.7-176.80000109.7
387A38.2Very low35.6Very low94 Ų94147.4 Ų147.478%0.77782%0.818SS**  trans-117.6126.8163.400000108.5P385P385-A387 PolarHBondContact O-N 3.42Å
388N37.5Very low35.5Very low138 Ų138143.9 Ų143.974%0.73882%0.818SS**  trans-60.5129.8-178.1-62-35.6000111.8
389D37.6Very low35.3Very low149 Ų149146.4 Ų146.480%0.79782%0.817SS**  trans-135.389.2150.3-89.2-31.8000108.1F391D389-F391 PolarHBondContact O-N 3.44Å
390T37.2Very low35.3Very low132 Ų132144.1 Ų144.181%0.8182%0.818SS**  trans-73.398.3172.5-56.60000108.5
391F33.1Very low35.1Very low190 Ų190141.9 Ų141.983%0.83381%0.806SS**  trans-88.4108.2164.8-86.9-86.4000109.4D389 A393D389-F391 PolarHBondContact O-N 3.44Å; F391-A393 PolarHBondContact O-N 3.31Å
392S32.8Very low35.3Very low104 Ų104141.6 Ų141.673%0.72781%0.805SS**  trans-60.3115.3176.7-166.90000110.6
393A31.2Very low35.2Very low102 Ų102142.8 Ų142.884%0.84381%0.807SS**  trans-110.175.617400000109.1F391F391-A393 PolarHBondContact O-N 3.31Å
394E36.5Very low35.5Very low171 Ų171143.7 Ų143.780%0.79980%0.804SS**  trans-140.1104.8169.2-76.3-174.1170.600106.7
395E38.6Very low35.5Very low181 Ų181144.1 Ų144.185%0.84681%0.807SS**  trans168.259.9155.9-97179.5-161.600110.9
396F35.3Very low35.7Very low225 Ų225144.2 Ų144.299%0.98781%0.811SS**  trans-156.664.9159.2-83.7-66000110.6
397S30.8Very low36Very low124 Ų124147.6 Ų147.687%0.86781%0.807SS**  trans-141.262171.669.30000111.4
398A34.1Very low35.9Very low98 Ų98152.3 Ų152.381%0.8181%0.813SS**  trans-156.4105.1164.200000108.1
399Q34.9Very low36Very low173 Ų173154.4 Ų154.481%0.80882%0.818SS**  trans151.757.3147.8-163.4154.430.100110.8I401Q399-I401 HydrophobicContact CG-CG1 4.43Å
400I34.9Very low36.2Very low163 Ų163156.8 Ų156.884%0.83682%0.817SS**  trans-100.8105.3156.1-63.6-174.7000104.8D402I400-D402 PolarHBondContact O-N 2.89Å
401I35.5Very low36.3Very low125 Ų125161.4 Ų161.464%0.64182%0.82SS**  trans-72.3116.7176-65168000106.3Q399 V403Q399-I401 HydrophobicContact CG-CG1 4.43Å; I401-V403 HydrophobicContact CG2-CG2 3.84Å; I401-V403 PolarHBondContact O-N 2.91Å
402D36.1Very low36.5Very low151 Ų151157.7 Ų157.781%0.80782%0.817SS**  trans-56.1100.7167.1-74.7-41.2000109.3I400I400-D402 PolarHBondContact O-N 2.89Å
403V40.2Very low36.6Very low130 Ų130157.3 Ų157.379%0.78882%0.821SS**  trans-116.566.3164.3-171.10000106.6I401I401-V403 HydrophobicContact CG2-CG2 3.84Å; I401-V403 PolarHBondContact O-N 2.91Å
404K40.5Very low37Very low175 Ų175157.4 Ų157.476%0.76182%0.821SS**  trans-135.987.8173.6-176161.7-175.8174.50105.3
405D36.7Very low37.1Very low163 Ų163155.4 Ų155.487%0.87282%0.816SS**SBendtrans166.579.5164-81.8-13.9000108.4
406S38.7Very low37.1Very low121 Ų121153.7 Ų153.785%0.84681%0.808SS**SBendtrans-1673.415876.90000118.6
407Y36.1Very low37.5Very low191 Ų191150.8 Ų150.875%0.74980%0.801SS**SBendtrans-138.844.4-176.1-166-102.5000115.1
408E35.4Very low38Very low192 Ų192151.2 Ų151.290%0.89779%0.793SS**  trans-119.910175.9-106.3164.4-178.500115
409E40.9Very low38.9Very low183 Ų183154.4 Ų154.486%0.85579%0.791SS**SBendtrans-107.423.8-171.6-148.7173.3-169.200115.9
410Y41.1Very low39.9Very low198 Ų198149.8 Ų149.878%0.77678%0.777SS**SBendtrans-119.87.4-178-124-93.3000117.5
411W39.4Very low41Very low230 Ų230147.8 Ų147.887%0.87177%0.768SS**SBendtrans-124.69.6-174.4-67.2103.4000116.9
412S36.4Very low42.8Very low111 Ų111149.5 Ų149.578%0.77677%0.773SS**SBendtrans-11610.9-177.7680000117.1
413A36.4Very low44.3Very low97 Ų97149 Ų14980%0.80277%0.769SS**  trans-118.516.4-174.600000115.8
414A38.5Very low45.9Very low103 Ų103151.7 Ų151.785%0.85177%0.765SS**  trans-104.672.7170.800000109.9
415D38.5Very low47.5Very low129 Ų129145.8 Ų145.869%0.6975%0.746SS**  trans-62.7140.8164.8-82.1-32.9000111.3
416H37.8Very low49.8Very low146 Ų146142.2 Ų142.268%0.67672%0.724SS**  trans56.887.7151.5-58.5-55.3000119.1
417I45.1Very low52Low163 Ų163141.3 Ų141.384%0.83671%0.709SS**  trans-121.596.7140.8-60.7175.6000106.8E419I417-E419 PolarHBondContact O-N 3.07Å; I417-E419 VanDerWaalsContact O-N 3.16Å
418D41.2Very low54.5Low133 Ų133139 Ų13971%0.71171%0.706SS**  trans-64.2100.9174.5-57.7-48.8000109.5
419E52.9Low56.7Low165 Ų165135.2 Ų135.277%0.77169%0.686SS**  trans-163.714.5160.6-116.6172.7-147.900117.8I417I417-E419 PolarHBondContact O-N 3.07Å; I417-E419 VanDerWaalsContact O-N 3.16Å
420P55.2Low58.8Low76 Ų76129.6 Ų129.649%0.49466%0.664SS.*SBendtrans-88.9-4.3176.935.2-34.3000115.1E422 R424P420-E422 VanDerWaalsContact C-N 3.34Å; P420-E422 PolarHBondContact O-N 2.84Å; P420-R424 PolarHBondContact O-N 3.06Å
421D59.2Low60.8Low122 Ų122124 Ų12465%0.65265%0.647SS**Hα-helixtrans-73.7-24.3-172.8-74.1-7.8000113.4R424 S425D421-R424 PolarHBondContact O-N 3.44Å; D421-S425 VanDerWaalsContact O-CB 3.31Å; D421-S425 WeakPolarHBondContact O-CB 3.22Å; D421-S425 PolarHBondContact O-N 2.93Å
422E72.5Confident62.9Low161 Ų161114.3 Ų114.375%0.75262%0.619SS**Hα-helixtrans-69-39.3177-70.6-166.2164.300112.5P420 S425 E426P420-E422 VanDerWaalsContact C-N 3.34Å; P420-E422 PolarHBondContact O-N 2.84Å; E422-S425 PolarHBondContact O-N 3.26Å; E422-E426 WeakPolarHBondContact O-CB 3.41Å; E422-E426 PolarHBondContact O-N 3.1Å
423L67Low65Low139 Ų139115.7 Ų115.773%0.72861%0.607SS**Hα-helixtrans-68.5-38.1177.3-75.9177.3000111.7E426 L427L423-E426 PolarHBondContact O-N 2.89Å; L423-L427 VanDerWaalsContact O-CB 3.3Å; L423-L427 WeakPolarHBondContact O-CB 3.32Å; L423-L427 PolarHBondContact O-N 3.26Å
424R75Confident67.2Low187 Ų187114.4 Ų114.471%0.70659%0.588SS**Hα-helixtrans-64.5-45.4174.3-69.2-179.8169.8-137-1.2111P420 D421 E426 L427 E428P420-R424 PolarHBondContact O-N 3.06Å; D421-R424 PolarHBondContact O-N 3.44Å; R424-E426 PolarHBondContact O-N 3.33Å; R424-L427 PolarHBondContact O-N 2.96Å; R424-E428 WeakPolarHBondContact O-CB 3.31Å; R424-E428 PolarHBondContact O-N 3.49Å
425S74.1Confident69Low51 Ų51115.5 Ų115.536%0.35758%0.577SS.*Hα-helixtrans-62.9-40.4176.6-1710000112.3D421 E422 E428 K429D421-S425 VanDerWaalsContact O-CB 3.31Å; D421-S425 WeakPolarHBondContact O-CB 3.22Å; D421-S425 PolarHBondContact O-N 2.93Å; E422-S425 PolarHBondContact O-N 3.26Å; S425-E428 PolarHBondContact O-N 3.12Å; S425-K429 WeakPolarHBondContact O-CB 3.37Å; S425-K429 WeakPolarHBondContact O-CG 3.49Å; S425-K429 PolarHBondContact O-N 2.86Å; S425-K429 WeakPolarHBondContact OG-CE 3.41Å
426E84.3Confident70.6Confident88 Ų88116.2 Ų116.241%0.41158%0.577SS.*Hα-helixtrans-69.7-37.5178.4-163.161.1-155.500111.3E422 L423 R424 K429 T430 R433E422-E426 WeakPolarHBondContact O-CB 3.41Å; E422-E426 PolarHBondContact O-N 3.1Å; L423-E426 PolarHBondContact O-N 2.89Å; R424-E426 PolarHBondContact O-N 3.33Å; E426-K429 PolarHBondContact O-N 3.09Å; E426-K429 IonicContact OE2-NZ 2.72Å; E426-T430 WeakPolarHBondContact O-CB 3.21Å; E426-T430 PolarHBondContact O-N 3.34Å; E426-T430 PolarHBondContact O-OG1 2.91Å; E426-R433 IonicContact OE1-NH2 3.27Å; E426-R433 PolarHBondContact OE1-NH2 2.94Å; E426-R433 VanDerWaalsContact OE1-NH2 3.1Å
427L84.9Confident72.1Confident102 Ų102113.3 Ų113.353%0.53457%0.573SS.*Hα-helixtrans-64.6-46.4174.1-154.1172.2000110.7L423 R424 K429 T430 I431L423-L427 VanDerWaalsContact O-CB 3.3Å; L423-L427 WeakPolarHBondContact O-CB 3.32Å; L423-L427 PolarHBondContact O-N 3.26Å; R424-L427 PolarHBondContact O-N 2.96Å; L427-K429 PolarHBondContact O-N 3Å; L427-T430 CarbonylContact O-C 3.58Å; L427-T430 WeakPolarHBondContact O-CB 3.4Å; L427-T430 PolarHBondContact O-N 3.42Å; L427-I431 HydrophobicContact CD2-CD1 3.21Å; L427-I431 HydrophobicContact CD2-CG1 3.72Å; L427-I431 WeakPolarHBondContact O-CG1 3.46Å; L427-I431 PolarHBondContact O-N 2.87Å
428E88Confident73Confident144 Ų144113.9 Ų113.967%0.67357%0.569SS**Hα-helixtrans-57.4-45.8173.6-168.781.8-141.900111.5R424 S425 T430 I431 G432R424-E428 WeakPolarHBondContact O-CB 3.31Å; R424-E428 PolarHBondContact O-N 3.49Å; S425-E428 PolarHBondContact O-N 3.12Å; E428-T430 VanDerWaalsContact C-N 3.28Å; E428-T430 PolarHBondContact O-N 3.04Å; E428-I431 PolarHBondContact O-N 2.9Å; E428-G432 PolarHBondContact O-N 3.33Å
429K83Confident74.2Confident112 Ų112111.5 Ų111.549%0.48756%0.563SS.*Hα-helixtrans-64.2-33.1175.3-73.4168.1-168.8165.40112.4S425 E426 L427 R433S425-K429 WeakPolarHBondContact O-CB 3.37Å; S425-K429 WeakPolarHBondContact O-CG 3.49Å; S425-K429 PolarHBondContact O-N 2.86Å; S425-K429 WeakPolarHBondContact OG-CE 3.41Å; E426-K429 PolarHBondContact O-N 3.09Å; E426-K429 IonicContact OE2-NZ 2.72Å; L427-K429 PolarHBondContact O-N 3Å; K429-R433 WeakPolarHBondContact O-CB 3.41Å; K429-R433 PolarHBondContact O-N 2.7Å; K429-R433 PolarHBondContact O-NE 3.12Å
430T84.4Confident74.2Confident65 Ų65111.7 Ų111.740%0.39956%0.557SS.*Hα-helixtrans-74.3-44.4178.7-52.90000110.4E426 L427 E428 G432 R433 V434E426-T430 WeakPolarHBondContact O-CB 3.21Å; E426-T430 PolarHBondContact O-N 3.34Å; E426-T430 PolarHBondContact O-OG1 2.91Å; L427-T430 CarbonylContact O-C 3.58Å; L427-T430 WeakPolarHBondContact O-CB 3.4Å; L427-T430 PolarHBondContact O-N 3.42Å; E428-T430 VanDerWaalsContact C-N 3.28Å; E428-T430 PolarHBondContact O-N 3.04Å; T430-G432 VanDerWaalsContact C-N 3.34Å; T430-G432 PolarHBondContact O-N 2.88Å; T430-R433 PolarHBondContact O-N 3.49Å; T430-V434 WeakPolarHBondContact O-CG2 3.13Å; T430-V434 PolarHBondContact O-N 3.42Å
431I83.3Confident74Confident81 Ų81114.2 Ų114.242%0.41557%0.571SS.*Hα-helixtrans-59-46.6171.5-71.3172.1000110L427 E428 R433 V434 M435L427-I431 HydrophobicContact CD2-CD1 3.21Å; L427-I431 HydrophobicContact CD2-CG1 3.72Å; L427-I431 WeakPolarHBondContact O-CG1 3.46Å; L427-I431 PolarHBondContact O-N 2.87Å; E428-I431 PolarHBondContact O-N 2.9Å; I431-R433 PolarHBondContact O-N 3.48Å; I431-V434 CarbonylContact O-C 3.58Å; I431-V434 PolarHBondContact O-N 2.9Å; I431-V434 VanDerWaalsContact O-N 3.1Å; I431-M435 HydrophobicContact CG2-CG 4.2Å; I431-M435 HydrophobicContact CG2-SD 3.9Å; I431-M435 WeakPolarHBondContact O-CG 3.46Å; I431-M435 PolarHBondContact O-N 3.07Å
432G83.9Confident73.8Confident26 Ų26114.9 Ų114.927%0.26858%0.579SS.*Hα-helixtrans-58.6-44.1177.300000112.8E428 T430 V434 M435 Q436E428-G432 PolarHBondContact O-N 3.33Å; T430-G432 VanDerWaalsContact C-N 3.34Å; T430-G432 PolarHBondContact O-N 2.88Å; G432-V434 PolarHBondContact O-N 2.82Å; G432-M435 PolarHBondContact O-N 3.36Å; G432-Q436 WeakPolarHBondContact O-CB 3.31Å; G432-Q436 VanDerWaalsContact O-CG 3.22Å; G432-Q436 WeakPolarHBondContact O-CG 3.15Å; G432-Q436 PolarHBondContact O-N 3.29Å
433R80.8Confident73Confident140 Ų140108.7 Ų108.753%0.52855%0.553SS.*Hα-helixtrans-61.6-40173.5-86.7179.6-94.2166.6-7.2112.5E426 K429 T430 I431 S437E426-R433 IonicContact OE1-NH2 3.27Å; E426-R433 PolarHBondContact OE1-NH2 2.94Å; E426-R433 VanDerWaalsContact OE1-NH2 3.1Å; K429-R433 WeakPolarHBondContact O-CB 3.41Å; K429-R433 PolarHBondContact O-N 2.7Å; K429-R433 PolarHBondContact O-NE 3.12Å; T430-R433 PolarHBondContact O-N 3.49Å; I431-R433 PolarHBondContact O-N 3.48Å; R433-S437 PolarHBondContact O-N 2.99Å; R433-S437 PolarHBondContact O-OG 3.42Å
434V81.5Confident72.8Confident69 Ų69109.7 Ų109.742%0.41855%0.552SS.*Hα-helixtrans-71.4-39.3178.3172.80000111.7T430 I431 G432 S437 K438T430-V434 WeakPolarHBondContact O-CG2 3.13Å; T430-V434 PolarHBondContact O-N 3.42Å; I431-V434 CarbonylContact O-C 3.58Å; I431-V434 PolarHBondContact O-N 2.9Å; I431-V434 VanDerWaalsContact O-N 3.1Å; G432-V434 PolarHBondContact O-N 2.82Å; V434-S437 PolarHBondContact O-N 3.42Å; V434-S437 PolarHBondContact O-OG 2.97Å; V434-K438 HydrophobicContact CG1-CD 4.24Å; V434-K438 WeakPolarHBondContact O-CB 3.33Å; V434-K438 WeakPolarHBondContact O-CG 3.33Å; V434-K438 PolarHBondContact O-N 3.15Å
435M76.8Confident72.1Confident126 Ų126105.5 Ų105.562%0.62155%0.549SS*.Hα-helixtrans-66.1-42.2175.3-72-176.676.200111.3I431 G432 S437 K438 S439I431-M435 HydrophobicContact CG2-CG 4.2Å; I431-M435 HydrophobicContact CG2-SD 3.9Å; I431-M435 WeakPolarHBondContact O-CG 3.46Å; I431-M435 PolarHBondContact O-N 3.07Å; G432-M435 PolarHBondContact O-N 3.36Å; M435-S437 VanDerWaalsContact C-N 3.33Å; M435-S437 PolarHBondContact O-N 3.25Å; M435-K438 PolarHBondContact O-N 2.89Å; M435-S439 WeakPolarHBondContact O-CB 3.35Å; M435-S439 PolarHBondContact O-N 2.94Å; M435-S439 PolarHBondContact O-OG 2.71Å
436Q72Confident71.6Confident144 Ų144110.2 Ų110.267%0.67357%0.565SS**Hα-helixtrans-66.3-32.2176.7-72.8176.55.600113G432G432-Q436 WeakPolarHBondContact O-CB 3.31Å; G432-Q436 VanDerWaalsContact O-CG 3.22Å; G432-Q436 WeakPolarHBondContact O-CG 3.15Å; G432-Q436 PolarHBondContact O-N 3.29Å
437S69.7Low70.7Confident85 Ų85111.3 Ų111.359%0.59457%0.57SS**Hα-helixtrans-74.1-32.9174.768.10000112.3R433 V434 M435R433-S437 PolarHBondContact O-N 2.99Å; R433-S437 PolarHBondContact O-OG 3.42Å; V434-S437 PolarHBondContact O-N 3.42Å; V434-S437 PolarHBondContact O-OG 2.97Å; M435-S437 VanDerWaalsContact C-N 3.33Å; M435-S437 PolarHBondContact O-N 3.25Å
438K64Low69.8Low175 Ų175111.1 Ų111.176%0.76157%0.569SS**Hα-helixtrans-77.1-27.5176.5-71.4-176.8179.1-172.30113.6V434 M435V434-K438 HydrophobicContact CG1-CD 4.24Å; V434-K438 WeakPolarHBondContact O-CB 3.33Å; V434-K438 WeakPolarHBondContact O-CG 3.33Å; V434-K438 PolarHBondContact O-N 3.15Å; M435-K438 PolarHBondContact O-N 2.89Å
439S65.5Low69Low84 Ų84108.7 Ų108.759%0.58756%0.564SS**THydrogen-bonded Turntrans-89.16.3-179.370.60000114.7M435 V441M435-S439 WeakPolarHBondContact O-CB 3.35Å; M435-S439 PolarHBondContact O-N 2.94Å; M435-S439 PolarHBondContact O-OG 2.71Å; S439-V441 VanDerWaalsContact C-N 3.26Å; S439-V441 PolarHBondContact O-N 2.79Å
440R52.5Low68.1Low168 Ų168106.9 Ų106.963%0.63457%0.566SS**  trans-67.591.5172.4-171164.3172.3123.3-5.6108.8V442R440-V442 PolarHBondContact O-N 3.04Å
441V50.9Low67.3Low129 Ų129108.4 Ų108.478%0.78257%0.568SS**  trans-41.6124.9171.5175.90000107.7S439 S443S439-V441 VanDerWaalsContact C-N 3.26Å; S439-V441 PolarHBondContact O-N 2.79Å; V441-S443 VanDerWaalsContact C-N 3.31Å; V441-S443 PolarHBondContact O-N 3.28Å
442V56.9Low66.5Low137 Ų137109.7 Ų109.783%0.8358%0.575SS**  trans-52.995-179.1178.40000108.4R440 K444R440-V442 PolarHBondContact O-N 3.04Å; V442-K444 PolarHBondContact O-N 3.34Å
443S55.6Low65.5Low31 Ų31113.9 Ų113.922%0.21759%0.591CS.*  trans-68.9130.6170.8570000106.9V441 E447V441-S443 VanDerWaalsContact C-N 3.31Å; V441-S443 PolarHBondContact O-N 3.28Å; S443-E447 VanDerWaalsContact CB-OE2 3.31Å; S443-E447 WeakPolarHBondContact CB-OE2 3.47Å
444K62.2Low64.7Low159 Ų159110 Ų11069%0.69159%0.589SS**  trans-54.3145.7-179.9-68.5178.4-179.4174.60110V442 E446 E447V442-K444 PolarHBondContact O-N 3.34Å; K444-E446 PolarHBondContact O-N 3.5Å; K444-E447 PolarHBondContact O-N 3.27Å
445P60.1Low63.7Low99 Ų99114.5 Ų114.564%0.64360%0.603SS**Hα-helixtrans-55-24.3-170.119.2-32.4000114.4E447 I448 T449P445-E447 PolarHBondContact O-N 2.82Å; P445-I448 WeakPolarHBondContact O-CB 3.18Å; P445-I448 PolarHBondContact O-N 3.46Å; P445-T449 PolarHBondContact O-N 3.36Å
446E63.4Low62.8Low150 Ų150113.2 Ų113.270%0.70160%0.598SS**Hα-helixtrans-59.1-41.3175.4-61.9-178.9172.900112.7K444 I448 T449 S450K444-E446 PolarHBondContact O-N 3.5Å; E446-I448 VanDerWaalsContact C-N 3.27Å; E446-I448 PolarHBondContact O-N 3.14Å; E446-T449 PolarHBondContact O-N 2.88Å; E446-T449 PolarHBondContact O-OG1 2.83Å; E446-S450 PolarHBondContact O-N 3.47Å; E446-S450 PolarHBondContact O-OG 2.86Å
447E65Low61.8Low112 Ų112111.7 Ų111.752%0.52359%0.594SS.*Hα-helixtrans-70.4-24.7-179.4-72.8-179.6-178.100113.1S443 K444 P445 Q451S443-E447 VanDerWaalsContact CB-OE2 3.31Å; S443-E447 WeakPolarHBondContact CB-OE2 3.47Å; K444-E447 PolarHBondContact O-N 3.27Å; P445-E447 PolarHBondContact O-N 2.82Å; E447-Q451 WeakPolarHBondContact O-CG 3.47Å; E447-Q451 PolarHBondContact O-N 3.31Å; E447-Q451 VanDerWaalsContact O-N 3.13Å; E447-Q451 PolarHBondContact O-NE2 2.83Å
448I65.8Low60.8Low98 Ų98111.4 Ų111.450%0.50360%0.597SS.*Hα-helixtrans-69.7-39.7176-54.2176.7000109.6P445 E446 Q451 L452P445-I448 WeakPolarHBondContact O-CB 3.18Å; P445-I448 PolarHBondContact O-N 3.46Å; E446-I448 VanDerWaalsContact C-N 3.27Å; E446-I448 PolarHBondContact O-N 3.14Å; I448-Q451 PolarHBondContact O-N 3.34Å; I448-L452 PolarHBondContact O-N 3.45Å
449T71.2Confident60.1Low92 Ų92107.6 Ų107.656%0.56459%0.588SS**Hα-helixtrans-65.3-41.5178.266.50000111.8P445 E446 Q451 L452 L453P445-T449 PolarHBondContact O-N 3.36Å; E446-T449 PolarHBondContact O-N 2.88Å; E446-T449 PolarHBondContact O-OG1 2.83Å; T449-Q451 PolarHBondContact O-N 3.17Å; T449-L452 PolarHBondContact O-N 3.47Å; T449-L453 WeakPolarHBondContact O-CB 3.27Å; T449-L453 PolarHBondContact O-N 2.79Å
450S63.9Low58.8Low75 Ų75110.7 Ų110.752%0.52459%0.593SS.*Hα-helixtrans-63.9-40.3176.3-49.40000112.4E446 L453 A454E446-S450 PolarHBondContact O-N 3.47Å; E446-S450 PolarHBondContact O-OG 2.86Å; S450-L453 PolarHBondContact O-N 3.41Å; S450-A454 WeakPolarHBondContact O-CB 3.29Å; S450-A454 PolarHBondContact O-N 2.78Å
451Q68.4Low58Low96 Ų96108.1 Ų108.145%0.44960%0.601SS.*Hα-helixtrans-68.5-34.8177.7-75.8175.65600112.8E447 I448 T449 K455E447-Q451 WeakPolarHBondContact O-CG 3.47Å; E447-Q451 PolarHBondContact O-N 3.31Å; E447-Q451 VanDerWaalsContact O-N 3.13Å; E447-Q451 PolarHBondContact O-NE2 2.83Å; I448-Q451 PolarHBondContact O-N 3.34Å; T449-Q451 PolarHBondContact O-N 3.17Å; Q451-K455 PolarHBondContact O-N 3.42Å
452L65.7Low57.4Low108 Ų108106.8 Ų106.857%0.56560%0.598SS**Hα-helixtrans-69.7-41.4174.9-149.5177.5000110.6I448 T449 A454 K455 N456I448-L452 PolarHBondContact O-N 3.45Å; T449-L452 PolarHBondContact O-N 3.47Å; L452-A454 PolarHBondContact O-N 2.95Å; L452-K455 PolarHBondContact O-N 3.42Å; L452-N456 PolarHBondContact O-N 3.28Å
453L63.6Low56.3Low115 Ų115108.1 Ų108.160%0.60260%0.595SS**Hα-helixtrans-66.2-39.3-179.9-145.6145.4000111.7T449 S450 K455 N456 I457T449-L453 WeakPolarHBondContact O-CB 3.27Å; T449-L453 PolarHBondContact O-N 2.79Å; S450-L453 PolarHBondContact O-N 3.41Å; L453-K455 VanDerWaalsContact C-N 3.33Å; L453-K455 PolarHBondContact O-N 3.28Å; L453-N456 PolarHBondContact O-N 2.84Å; L453-I457 HydrophobicContact CD2-CD1 3.85Å; L453-I457 WeakPolarHBondContact O-CG1 3.26Å; L453-I457 PolarHBondContact O-N 3.11Å
454A65.2Low55.2Low59 Ų59111.9 Ų111.949%0.48862%0.621SS.*Hα-helixtrans-63-36173.700000113.1S450 L452 I457 A458S450-A454 WeakPolarHBondContact O-CB 3.29Å; S450-A454 PolarHBondContact O-N 2.78Å; L452-A454 PolarHBondContact O-N 2.95Å; A454-I457 PolarHBondContact O-N 3.4Å; A454-A458 PolarHBondContact O-N 2.87Å
455K60.2Low53.9Low162 Ų162110.1 Ų110.170%0.70462%0.623SS**Hα-helixtrans-68-34.7177.6-104.6176.9171.9167.10113.2Q451 L452 L453 I457Q451-K455 PolarHBondContact O-N 3.42Å; L452-K455 PolarHBondContact O-N 3.42Å; L453-K455 VanDerWaalsContact C-N 3.33Å; L453-K455 PolarHBondContact O-N 3.28Å; K455-I457 VanDerWaalsContact C-N 3.34Å
456N57.7Low52.4Low99 Ų99111 Ų11153%0.52963%0.632SS.*Hα-helixtrans-73.5-24.8174.9-89.4-1.6000113.2L452 L453 T459 H460L452-N456 PolarHBondContact O-N 3.28Å; L453-N456 PolarHBondContact O-N 2.84Å; N456-T459 PolarHBondContact O-OG1 3.47Å; N456-H460 PolarHBondContact O-CD2 3.33Å
457I50.8Low51Low112 Ų112112.6 Ų112.657%0.57464%0.639SS**Hα-helixtrans-73.7-34.7176.2-66.1166.5000110.9L453 A454 K455 T459 H460L453-I457 HydrophobicContact CD2-CD1 3.85Å; L453-I457 WeakPolarHBondContact O-CG1 3.26Å; L453-I457 PolarHBondContact O-N 3.11Å; A454-I457 PolarHBondContact O-N 3.4Å; K455-I457 VanDerWaalsContact C-N 3.34Å; I457-T459 PolarHBondContact O-N 3.37Å; I457-H460 PolarHBondContact O-N 2.83Å
458A49.1Very low49.3Very low80 Ų80111.9 Ų111.966%0.66165%0.647SS**Hα-helixtrans-65.9-22.2179.400000113.8A454A454-A458 PolarHBondContact O-N 2.87Å
459T47.7Very low47.4Very low95 Ų95114.8 Ų114.858%0.58366%0.662SS**THydrogen-bonded Turntrans-92.3-2.6-178.854.80000114.6N456 I457N456-T459 PolarHBondContact O-OG1 3.47Å; I457-T459 PolarHBondContact O-N 3.37Å
460H39.9Very low45.8Very low148 Ų148116.5 Ų116.569%0.68567%0.673SS**  trans-126.619.5-177.8-64.7-59.6000114.3N456 I457 S462N456-H460 PolarHBondContact O-CD2 3.33Å; I457-H460 PolarHBondContact O-N 2.83Å; H460-S462 PolarHBondContact O-N 3.35Å
461S35.7Very low44.1Very low114 Ų114117.3 Ų117.380%0.79768%0.678SS**  trans-69.519.3178.8-176.10000115.4
462S36.4Very low42.5Very low102 Ų102120.2 Ų120.271%0.71370%0.697SS**SBendtrans-135.272.717466.30000110.1H460H460-S462 PolarHBondContact O-N 3.35Å
463E35.7Very low40.5Very low165 Ų165121.4 Ų121.477%0.77171%0.709SS**  trans-169.4108.2138.5-154.763.5-163.200108.9V465E463-V465 HydrophobicContact CG-CG2 4.4Å; E463-V465 PolarHBondContact O-N 2.82Å
464S30.9Very low39.1Very low110 Ų110120.9 Ų120.977%0.76972%0.715SS**  trans-75.2106.5171.947.80000109.7
465V35.9Very low37.5Very low121 Ų121123.8 Ų123.873%0.73373%0.726SS**  trans-131.399.8160.2-175.20000109E463E463-V465 HydrophobicContact CG-CG2 4.4Å; E463-V465 PolarHBondContact O-N 2.82Å
466S27.3Very low36.1Very low118 Ų118123.1 Ų123.183%0.82573%0.731SS**  trans-79.9114171.4-46.20000108.8
467Q35.6Very low35.2Very low183 Ų183125.9 Ų125.986%0.85575%0.745SS**  trans-150.7113159.2-148.3164.726.700113.6
468S28.7Very low34.5Very low98 Ų98125.9 Ų125.969%0.68576%0.755SS**  trans64.693.2140.2-155.40000120.5V470S468-V470 PolarHBondContact O-N 3.47Å
469L26.6Very low34.1Very low159 Ų159130.9 Ų130.983%0.83276%0.762SS**  trans-22.1117.4134.5-167.990.1000114.6
470V36.4Very low33.9Very low128 Ų128135.3 Ų135.378%0.77677%0.773SS**  trans-136.9119.8149.2-81.60000108.1S468S468-V470 PolarHBondContact O-N 3.47Å
471S27.8Very low34.6Very low92 Ų92135 Ų13564%0.64378%0.777SS**  trans-100.799.4-177.947.60000108.9
472D34.7Very low35.2Very low157 Ų157136.5 Ų136.584%0.8478%0.776SS**  trans-103.1100166-74.7-23.3000108.9
473T25Very low37Very low133 Ų133136.7 Ų136.782%0.81677%0.773SS**  trans-85.5110.2166.943.20000107.2
474S33.3Very low38.7Very low104 Ų104134.6 Ų134.673%0.72777%0.771SS**  trans-145.699.6167.8-77.10000110.1
475T32.1Very low40.9Very low119 Ų119137 Ų13773%0.7377%0.768SS**  trans46.8111.3133.860.50000119.8
476N31.5Very low43.1Very low149 Ų149134.8 Ų134.880%0.79775%0.752SS**  trans46.1104.4132.3-63.8-33.8000118.8
477N37.6Very low45.8Very low157 Ų157133.4 Ų133.484%0.8474%0.742SS**  -173.6132.9100.9-108.9-27.1000111.7K479N477-K479 PolarHBondContact O-N 3.19Å
478S37Very low48Very low112 Ų112128.3 Ų128.378%0.78372%0.723SS**  trans-63.1107.8169.449.80000111.6
479K41.3Very low50.5Low184 Ų184126.2 Ų126.280%0.871%0.712SS**  trans-135.385.1144.7-154.3102.2178.4-1720106.2N477 D481N477-K479 PolarHBondContact O-N 3.19Å; K479-D481 PolarHBondContact O-N 2.9Å; K479-D481 VanDerWaalsContact O-N 3.14Å
480K42Very low53.3Low188 Ų188124 Ų12482%0.81770%0.697SS**  trans-61.7114.3163.9-87.4178.4172.8176.60105.5N482K480-N482 PolarHBondContact O-N 2.81Å
481D54.7Low55.8Low143 Ų143123.6 Ų123.677%0.76569%0.685SS**  trans-60.4100.9172.7-67.3-35.7000108.3K479 V483K479-D481 PolarHBondContact O-N 2.9Å; K479-D481 VanDerWaalsContact O-N 3.14Å; D481-V483 PolarHBondContact O-N 3.47Å
482N47.9Very low58.2Low145 Ų145127.3 Ų127.378%0.77569%0.686SS**  trans-68.8101.6170-75.3-20.9000107.2K480 V484K480-N482 PolarHBondContact O-N 2.81Å; N482-V484 PolarHBondContact O-N 3.33Å; N482-V484 VanDerWaalsContact O-N 3.12Å
483V74.9Confident60.4Low106 Ų106127 Ų12764%0.64268%0.678SS**  trans-69.3104.7171.51790000107.7D481 F485D481-V483 PolarHBondContact O-N 3.47Å; V483-F485 HydrophobicContact CG1-CE1 4.37Å; V483-F485 HydrophobicContact CG1-CZ 4.29Å
484V72.1Confident63.1Low121 Ų121123.8 Ų123.873%0.73366%0.66SS**  trans-82.5119.6171.7178.60000108.1N482 D486N482-V484 PolarHBondContact O-N 3.33Å; N482-V484 VanDerWaalsContact O-N 3.12Å; V484-D486 PolarHBondContact O-N 3.21Å
485F76Confident65.2Low160 Ų160123.4 Ų123.470%0.70265%0.65SS**  trans-81.492.4175.3-59.5-88.4000108.8V483V483-F485 HydrophobicContact CG1-CE1 4.37Å; V483-F485 HydrophobicContact CG1-CZ 4.29Å
486D82.9Confident67.4Low75 Ų75119.5 Ų119.540%0.40163%0.633SS.*  trans-92.6136.9168.9-176.515.7000110.2V484 T488 A489 E490V484-D486 PolarHBondContact O-N 3.21Å; D486-T488 PolarHBondContact O-N 2.84Å; D486-T488 VanDerWaalsContact O-N 3.16Å; D486-T488 PolarHBondContact OD1-N 3.36Å; D486-T488 PolarHBondContact OD2-OG1 3.08Å; D486-A489 HydrophobicContact CB-CB 4.22Å; D486-A489 WeakPolarHBondContact O-CB 3.42Å; D486-A489 PolarHBondContact O-N 2.89Å; D486-E490 PolarHBondContact O-N 3.44Å
487S84.7Confident69.5Low89 Ų89116.6 Ų116.662%0.62262%0.616SS**Hα-helixtrans-48.4-37.5173.562.60000112.9F491S487-F491 WeakPolarHBondContact O-CB 3.32Å; S487-F491 PolarHBondContact O-N 3.47Å; S487-F491 VanDerWaalsContact O-N 3.1Å
488T80.3Confident71.3Confident75 Ų75111 Ų11146%0.4660%0.595SS.*Hα-helixtrans-73-41.1177.570.70000112.1D486 E490 F491 Y492D486-T488 PolarHBondContact O-N 2.84Å; D486-T488 VanDerWaalsContact O-N 3.16Å; D486-T488 PolarHBondContact OD1-N 3.36Å; D486-T488 PolarHBondContact OD2-OG1 3.08Å; T488-E490 VanDerWaalsContact C-N 3.33Å; T488-E490 PolarHBondContact O-N 2.92Å; T488-F491 PolarHBondContact O-N 2.86Å; T488-Y492 WeakPolarHBondContact O-CD2 3.34Å; T488-Y492 PolarHBondContact O-N 2.83Å; T488-Y492 VanDerWaalsContact O-N 3.12Å
489A82.5Confident73.4Confident54 Ų54112.1 Ų112.145%0.44659%0.586SS.*Hα-helixtrans-66-36.1177.800000111.9D486 K493D486-A489 HydrophobicContact CB-CB 4.22Å; D486-A489 WeakPolarHBondContact O-CB 3.42Å; D486-A489 PolarHBondContact O-N 2.89Å; A489-K493 WeakPolarHBondContact O-CB 3.35Å; A489-K493 PolarHBondContact O-N 2.75Å; A489-K493 VanDerWaalsContact O-N 3.17Å
490E84.2Confident75Confident113 Ų113108.1 Ų108.153%0.52857%0.571SS.*Hα-helixtrans-68.8-39.2173-70.1-159.9151.400112.4D486 T488 K493 S494D486-E490 PolarHBondContact O-N 3.44Å; T488-E490 VanDerWaalsContact C-N 3.33Å; T488-E490 PolarHBondContact O-N 2.92Å; E490-K493 PolarHBondContact O-N 3.03Å; E490-S494 PolarHBondContact O-N 2.87Å
491F88.7Confident76.5Confident119 Ų119103.5 Ų103.552%0.52255%0.552SS.*Hα-helixtrans-60.5-49.8177.1177.8-106.7000112.1S487 T488 K493 S494 I495S487-F491 WeakPolarHBondContact O-CB 3.32Å; S487-F491 PolarHBondContact O-N 3.47Å; S487-F491 VanDerWaalsContact O-N 3.1Å; T488-F491 PolarHBondContact O-N 2.86Å; F491-K493 VanDerWaalsContact C-N 3.31Å; F491-K493 PolarHBondContact O-N 3.08Å; F491-S494 WeakPolarHBondContact O-CB 3.36Å; F491-S494 PolarHBondContact O-N 3.02Å; F491-S494 VanDerWaalsContact O-N 3.12Å; F491-S494 PolarHBondContact O-OG 2.79Å; F491-I495 HydrophobicContact CD1-CD1 4.18Å; F491-I495 HydrophobicContact CE1-CD1 3.52Å; F491-I495 HydrophobicContact CE2-CD1 4.07Å; F491-I495 HydrophobicContact CZ-CD1 3.47Å; F491-I495 VanDerWaalsContact CZ-CD1 3.47Å; F491-I495 HydrophobicContact CZ-CG1 4.39Å; F491-I495 PolarHBondContact O-N 2.97Å; F491-I495 VanDerWaalsContact O-N 3.16Å
492Y78.1Confident77.5Confident170 Ų170100 Ų10067%0.66754%0.538SS*.Hα-helixtrans-63.4-36.9177.2-71.1-65000112.5T488 S494 I495 G496T488-Y492 WeakPolarHBondContact O-CD2 3.34Å; T488-Y492 PolarHBondContact O-N 2.83Å; T488-Y492 VanDerWaalsContact O-N 3.12Å; Y492-S494 VanDerWaalsContact C-N 3.32Å; Y492-S494 PolarHBondContact O-N 3.42Å; Y492-I495 PolarHBondContact O-N 3.33Å; Y492-G496 PolarHBondContact O-N 2.88Å
493K81Confident78.9Confident151 Ų15197.8 Ų97.866%0.65753%0.525SS*.Hα-helixtrans-63.5-38.3174.3-168.1172.7-179.2-178.90111.7A489 E490 F491 G496 I497A489-K493 WeakPolarHBondContact O-CB 3.35Å; A489-K493 PolarHBondContact O-N 2.75Å; A489-K493 VanDerWaalsContact O-N 3.17Å; E490-K493 PolarHBondContact O-N 3.03Å; F491-K493 VanDerWaalsContact C-N 3.31Å; F491-K493 PolarHBondContact O-N 3.08Å; K493-G496 PolarHBondContact O-N 3.48Å; K493-I497 HydrophobicContact CG-CD1 4.08Å; K493-I497 WeakPolarHBondContact O-CD1 3.33Å; K493-I497 WeakPolarHBondContact O-CG1 3.37Å; K493-I497 PolarHBondContact O-N 3.35Å
494S82Confident79.3Confident65 Ų6597.8 Ų97.846%0.45552%0.516SS..Hα-helixtrans-65.1-42.2177.4820000112.8E490 F491 Y492 I497 G498E490-S494 PolarHBondContact O-N 2.87Å; F491-S494 WeakPolarHBondContact O-CB 3.36Å; F491-S494 PolarHBondContact O-N 3.02Å; F491-S494 VanDerWaalsContact O-N 3.12Å; F491-S494 PolarHBondContact O-OG 2.79Å; Y492-S494 VanDerWaalsContact C-N 3.32Å; Y492-S494 PolarHBondContact O-N 3.42Å; S494-I497 PolarHBondContact O-N 3.14Å; S494-G498 PolarHBondContact O-N 2.91Å
495I77.7Confident79.4Confident97 Ų9798.8 Ų98.850%0.49751%0.507SS..Hα-helixtrans-66.3-43.4176.8-65.5179.4000110.3F491 Y492 I497 G498 F499F491-I495 HydrophobicContact CD1-CD1 4.18Å; F491-I495 HydrophobicContact CE1-CD1 3.52Å; F491-I495 HydrophobicContact CE2-CD1 4.07Å; F491-I495 HydrophobicContact CZ-CD1 3.47Å; F491-I495 VanDerWaalsContact CZ-CD1 3.47Å; F491-I495 HydrophobicContact CZ-CG1 4.39Å; F491-I495 PolarHBondContact O-N 2.97Å; F491-I495 VanDerWaalsContact O-N 3.16Å; Y492-I495 PolarHBondContact O-N 3.33Å; I495-I497 VanDerWaalsContact C-N 3.34Å; I495-I497 PolarHBondContact O-N 2.99Å; I495-G498 PolarHBondContact O-N 2.99Å; I495-F499 PolarHBondContact O-N 3.21Å; I495-F499 VanDerWaalsContact O-N 3.16Å
496G77.7Confident79.4Confident37 Ų3795.6 Ų95.638%0.38150%0.497SS..Hα-helixtrans-62.9-37.2177.500000113.3Y492 K493 F499 Q500Y492-G496 PolarHBondContact O-N 2.88Å; K493-G496 PolarHBondContact O-N 3.48Å; G496-F499 PolarHBondContact O-N 2.88Å; G496-Q500 WeakPolarHBondContact O-CB 3.47Å; G496-Q500 PolarHBondContact O-N 3.44Å
497I77Confident79.2Confident88 Ų8896.4 Ų96.445%0.45151%0.505SS..Hα-helixtrans-62.1-46.2175.7-74.1161000110.5K493 S494 I495 F499 Q500 E501K493-I497 HydrophobicContact CG-CD1 4.08Å; K493-I497 WeakPolarHBondContact O-CD1 3.33Å; K493-I497 WeakPolarHBondContact O-CG1 3.37Å; K493-I497 PolarHBondContact O-N 3.35Å; S494-I497 PolarHBondContact O-N 3.14Å; I495-I497 VanDerWaalsContact C-N 3.34Å; I495-I497 PolarHBondContact O-N 2.99Å; I497-F499 VanDerWaalsContact C-N 3.31Å; I497-F499 PolarHBondContact O-N 2.97Å; I497-Q500 PolarHBondContact O-N 3.44Å; I497-E501 VanDerWaalsContact O-CB 3.24Å; I497-E501 WeakPolarHBondContact O-CB 3.46Å; I497-E501 PolarHBondContact O-N 2.84Å
498G75Confident78.9Confident38 Ų38101.2 Ų101.239%0.39251%0.509SS..Hα-helixtrans-58.7-41.4176.400000112.8S494 I495 S502S494-G498 PolarHBondContact O-N 2.91Å; I495-G498 PolarHBondContact O-N 2.99Å; G498-S502 WeakPolarHBondContact O-CB 3.42Å; G498-S502 PolarHBondContact O-N 2.94Å
499F80.3Confident78.8Confident137 Ų137104.2 Ų104.260%0.60151%0.513SS*.Hα-helixtrans-67.4-46.5177.3-176.8-106.4000112.8I495 G496 I497 E501 S502 M503I495-F499 PolarHBondContact O-N 3.21Å; I495-F499 VanDerWaalsContact O-N 3.16Å; G496-F499 PolarHBondContact O-N 2.88Å; I497-F499 VanDerWaalsContact C-N 3.31Å; I497-F499 PolarHBondContact O-N 2.97Å; F499-E501 VanDerWaalsContact C-N 3.28Å; F499-E501 PolarHBondContact O-N 3.34Å; F499-S502 WeakPolarHBondContact O-CB 3.49Å; F499-S502 PolarHBondContact O-N 3.47Å; F499-M503 HydrophobicContact CD1-CE 3.75Å; F499-M503 HydrophobicContact CE1-CE 3.38Å; F499-M503 HydrophobicContact CE1-SD 4.06Å; F499-M503 HydrophobicContact CZ-CE 4.21Å; F499-M503 HydrophobicContact CZ-SD 4.32Å; F499-M503 PolarHBondContact O-N 3.25Å
500Q74.9Confident78.8Confident100 Ų100105.7 Ų105.747%0.46751%0.514SS..Hα-helixtrans-64.1-36.7177.8-167.8-164.1-11100111.5G496 I497 M503 K504G496-Q500 WeakPolarHBondContact O-CB 3.47Å; G496-Q500 PolarHBondContact O-N 3.44Å; I497-Q500 PolarHBondContact O-N 3.44Å; Q500-M503 PolarHBondContact O-N 3Å; Q500-K504 WeakPolarHBondContact O-CG 3.35Å; Q500-K504 PolarHBondContact O-N 3.47Å
501E75Confident78.6Confident91 Ų91105.9 Ų105.943%0.42551%0.514SS..Hα-helixtrans-72.5-31.5178.4-146.6-178.1-142.200111.8I497 F499 R505I497-E501 VanDerWaalsContact O-CB 3.24Å; I497-E501 WeakPolarHBondContact O-CB 3.46Å; I497-E501 PolarHBondContact O-N 2.84Å; F499-E501 VanDerWaalsContact C-N 3.28Å; F499-E501 PolarHBondContact O-N 3.34Å; E501-R505 VanDerWaalsContact CB-NH1 3.33Å; E501-R505 VanDerWaalsContact CG-NH1 3.28Å; E501-R505 WeakPolarHBondContact O-CB 3.49Å; E501-R505 WeakPolarHBondContact O-CG 3.38Å; E501-R505 PolarHBondContact O-N 3.27Å; E501-R505 PolarHBondContact O-NH1 3.33Å; E501-R505 IonicContact OE1-NH2 2.93Å; E501-R505 IonicContact OE2-CZ 3.66Å; E501-R505 VanDerWaalsContact OE2-CZ 3.27Å; E501-R505 IonicContact OE2-NH1 2.75Å; E501-R505 PolarHBondContact OE2-NH1 2.96Å; E501-R505 IonicContact OE2-NH2 3.4Å; E501-R505 PolarHBondContact OE2-NH2 2.81Å
502S74.6Confident78.3Confident69 Ų69106.1 Ų106.148%0.48352%0.516SS..Hα-helixtrans-61.4-47.1167.3-179.80000111.9G498 F499 K504 R505 N506G498-S502 WeakPolarHBondContact O-CB 3.42Å; G498-S502 PolarHBondContact O-N 2.94Å; F499-S502 WeakPolarHBondContact O-CB 3.49Å; F499-S502 PolarHBondContact O-N 3.47Å; S502-K504 PolarHBondContact O-N 2.89Å; S502-R505 PolarHBondContact O-N 3.34Å; S502-N506 PolarHBondContact O-N 2.91Å
503M77.2Confident78.2Confident98 Ų98101.2 Ų101.248%0.48350%0.5SS..Hα-helixtrans-60.9-45.7175.6-77.7-163.6-73.700112.1F499 Q500 R505 N506 T507F499-M503 HydrophobicContact CD1-CE 3.75Å; F499-M503 HydrophobicContact CE1-CE 3.38Å; F499-M503 HydrophobicContact CE1-SD 4.06Å; F499-M503 HydrophobicContact CZ-CE 4.21Å; F499-M503 HydrophobicContact CZ-SD 4.32Å; F499-M503 PolarHBondContact O-N 3.25Å; Q500-M503 PolarHBondContact O-N 3Å; M503-R505 VanDerWaalsContact C-N 3.32Å; M503-R505 PolarHBondContact O-N 2.94Å; M503-N506 PolarHBondContact O-N 3.26Å; M503-N506 VanDerWaalsContact O-N 3.13Å; M503-T507 PolarHBondContact O-N 3.09Å; M503-T507 PolarHBondContact O-OG1 3.04Å
504K83Confident77.9Confident106 Ų10699.5 Ų99.546%0.46150%0.495SS..Hα-helixtrans-60.5-39.4176.7-74.8174.2175.6172.90112.4Q500 S502 R508Q500-K504 WeakPolarHBondContact O-CG 3.35Å; Q500-K504 PolarHBondContact O-N 3.47Å; S502-K504 PolarHBondContact O-N 2.89Å; K504-R508 WeakPolarHBondContact O-CG 3.44Å; K504-R508 PolarHBondContact O-N 3.34Å
505R74.8Confident77.6Confident142 Ų142100.4 Ų100.454%0.53650%0.495SS..Hα-helixtrans-63.4-42.4174.4-75172.9-175.9105.33.2111.3E501 S502 M503 R508 Y509E501-R505 VanDerWaalsContact CB-NH1 3.33Å; E501-R505 VanDerWaalsContact CG-NH1 3.28Å; E501-R505 WeakPolarHBondContact O-CB 3.49Å; E501-R505 WeakPolarHBondContact O-CG 3.38Å; E501-R505 PolarHBondContact O-N 3.27Å; E501-R505 PolarHBondContact O-NH1 3.33Å; E501-R505 IonicContact OE1-NH2 2.93Å; E501-R505 IonicContact OE2-CZ 3.66Å; E501-R505 VanDerWaalsContact OE2-CZ 3.27Å; E501-R505 IonicContact OE2-NH1 2.75Å; E501-R505 PolarHBondContact OE2-NH1 2.96Å; E501-R505 IonicContact OE2-NH2 3.4Å; E501-R505 PolarHBondContact OE2-NH2 2.81Å; S502-R505 PolarHBondContact O-N 3.34Å; M503-R505 VanDerWaalsContact C-N 3.32Å; M503-R505 PolarHBondContact O-N 2.94Å; R505-R508 PolarHBondContact O-N 3.31Å; R505-Y509 WeakPolarHBondContact O-CB 3.45Å; R505-Y509 PolarHBondContact O-N 2.92Å
506N76.2Confident77.1Confident93 Ų93100 Ų10050%0.49749%0.491SS..Hα-helixtrans-66.3-41.8179-155.86.3000111.8S502 M503 R508 Y509 N510S502-N506 PolarHBondContact O-N 2.91Å; M503-N506 PolarHBondContact O-N 3.26Å; M503-N506 VanDerWaalsContact O-N 3.13Å; N506-R508 PolarHBondContact O-N 3.04Å; N506-Y509 PolarHBondContact O-N 3.32Å; N506-N510 PolarHBondContact O-N 3.18Å; N506-N510 PolarHBondContact O-ND2 2.83Å; N506-N510 PolarHBondContact OD1-ND2 3.48Å
507T77.9Confident76.3Confident93 Ų93101.7 Ų101.757%0.57150%0.496SS*.Hα-helixtrans-61.9-44.2174.5-48.30000112.1M503 Y509 N510 Q511M503-T507 PolarHBondContact O-N 3.09Å; M503-T507 PolarHBondContact O-OG1 3.04Å; T507-Y509 VanDerWaalsContact C-N 3.34Å; T507-Y509 PolarHBondContact O-N 2.98Å; T507-N510 PolarHBondContact O-N 3.14Å; T507-Q511 WeakPolarHBondContact O-CB 3.12Å; T507-Q511 PolarHBondContact O-N 3.32Å
508R79.9Confident75.3Confident190 Ų190105.8 Ų105.872%0.71751%0.506SS*.Hα-helixtrans-63.1-39.4175.6-72.5-175.7-165.2-179.14.9112.3K504 R505 N506 Q511 F512K504-R508 WeakPolarHBondContact O-CG 3.44Å; K504-R508 PolarHBondContact O-N 3.34Å; R505-R508 PolarHBondContact O-N 3.31Å; N506-R508 PolarHBondContact O-N 3.04Å; R508-Q511 PolarHBondContact O-N 3.3Å; R508-F512 WeakPolarHBondContact O-CB 3.26Å; R508-F512 PolarHBondContact O-N 3.26Å
509Y78.2Confident74.3Confident138 Ų138110.8 Ų110.854%0.54152%0.523SS..Hα-helixtrans-65.1-45.1177-179.5-104.1000111.9R505 N506 T507 Q511 F512 L513R505-Y509 WeakPolarHBondContact O-CB 3.45Å; R505-Y509 PolarHBondContact O-N 2.92Å; N506-Y509 PolarHBondContact O-N 3.32Å; T507-Y509 VanDerWaalsContact C-N 3.34Å; T507-Y509 PolarHBondContact O-N 2.98Å; Y509-Q511 VanDerWaalsContact C-N 3.34Å; Y509-Q511 PolarHBondContact O-N 3.49Å; Y509-F512 WeakPolarHBondContact O-CB 3.37Å; Y509-F512 PolarHBondContact O-N 3.21Å; Y509-L513 HydrophobicContact CD1-CD1 3.9Å; Y509-L513 HydrophobicContact CE1-CD1 3.39Å; Y509-L513 HydrophobicContact CE1-CG 4.11Å; Y509-L513 PolarHBondContact O-N 3.25Å
510N81.4Confident73.2Confident85 Ų85111.1 Ų111.146%0.45553%0.526SS..Hα-helixtrans-64.4-38.4176.4-71.5-42.3000112.3N506 T507 F512 L513 Q514N506-N510 PolarHBondContact O-N 3.18Å; N506-N510 PolarHBondContact O-ND2 2.83Å; N506-N510 PolarHBondContact OD1-ND2 3.48Å; T507-N510 PolarHBondContact O-N 3.14Å; N510-F512 VanDerWaalsContact C-N 3.35Å; N510-L513 PolarHBondContact O-N 3.1Å; N510-Q514 PolarHBondContact O-N 3.1Å
511Q80.3Confident72.1Confident117 Ų117112.9 Ų112.955%0.54754%0.539SS..Hα-helixtrans-65.7-38.1174.1-167.9173.428.700112T507 R508 Y509 Q514 N515T507-Q511 WeakPolarHBondContact O-CB 3.12Å; T507-Q511 PolarHBondContact O-N 3.32Å; R508-Q511 PolarHBondContact O-N 3.3Å; Y509-Q511 VanDerWaalsContact C-N 3.34Å; Y509-Q511 PolarHBondContact O-N 3.49Å; Q511-Q514 PolarHBondContact O-N 3.42Å; Q511-N515 PolarHBondContact O-N 3.42Å
512F82.7Confident70.7Confident124 Ų124116.2 Ų116.254%0.54456%0.56SS.*Hα-helixtrans-62.8-44.1173.8176.6-97.6000111.8R508 Y509 N510 N515 Q516R508-F512 WeakPolarHBondContact O-CB 3.26Å; R508-F512 PolarHBondContact O-N 3.26Å; Y509-F512 WeakPolarHBondContact O-CB 3.37Å; Y509-F512 PolarHBondContact O-N 3.21Å; N510-F512 VanDerWaalsContact C-N 3.35Å; F512-N515 PolarHBondContact O-N 3.32Å; F512-Q516 PolarHBondContact O-N 2.88Å
513L74.5Confident68.8Low67 Ų67116.1 Ų116.135%0.35157%0.57SS.*Hα-helixtrans-61-44.4175.5-74.6173.7000111.9Y509 N510 N515 Q516 S517Y509-L513 HydrophobicContact CD1-CD1 3.9Å; Y509-L513 HydrophobicContact CE1-CD1 3.39Å; Y509-L513 HydrophobicContact CE1-CG 4.11Å; Y509-L513 PolarHBondContact O-N 3.25Å; N510-L513 PolarHBondContact O-N 3.1Å; L513-N515 VanDerWaalsContact C-N 3.32Å; L513-N515 PolarHBondContact O-N 3.19Å; L513-Q516 WeakPolarHBondContact O-CB 3.46Å; L513-Q516 PolarHBondContact O-N 2.93Å; L513-Q516 VanDerWaalsContact O-N 3.09Å; L513-S517 PolarHBondContact O-N 2.9Å; L513-S517 PolarHBondContact O-OG 3.05Å
514Q76Confident66.7Low115 Ų115115.4 Ų115.454%0.53759%0.587SS.*Hα-helixtrans-64.2-38179.1-160.8178.439.500112.1N510 Q511 Q516 S517 R518N510-Q514 PolarHBondContact O-N 3.1Å; Q511-Q514 PolarHBondContact O-N 3.42Å; Q514-Q516 VanDerWaalsContact C-N 3.31Å; Q514-S517 PolarHBondContact O-N 3.47Å; Q514-R518 WeakPolarHBondContact O-CG 3.36Å; Q514-R518 PolarHBondContact O-N 2.78Å; Q514-R518 VanDerWaalsContact O-N 3.1Å
515N76Confident64.1Low84 Ų84115.2 Ų115.245%0.44961%0.606SS.*Hα-helixtrans-66.8-34.1173.4-74.7-5.8000112Q511 F512 L513 R518 L519Q511-N515 PolarHBondContact O-N 3.42Å; F512-N515 PolarHBondContact O-N 3.32Å; L513-N515 VanDerWaalsContact C-N 3.32Å; L513-N515 PolarHBondContact O-N 3.19Å; N515-R518 PolarHBondContact O-N 2.92Å; N515-L519 WeakPolarHBondContact O-CG 3.35Å; N515-L519 PolarHBondContact O-N 3.36Å; N515-L519 VanDerWaalsContact O-N 3.14Å
516Q66.9Low62.3Low89 Ų89115.2 Ų115.242%0.41662%0.621SS.*Hα-helixtrans-65.9-42174.6-123-142.779.200112.1F512 L513 Q514 R518 L519 Q520F512-Q516 PolarHBondContact O-N 2.88Å; L513-Q516 WeakPolarHBondContact O-CB 3.46Å; L513-Q516 PolarHBondContact O-N 2.93Å; L513-Q516 VanDerWaalsContact O-N 3.09Å; Q514-Q516 VanDerWaalsContact C-N 3.31Å; Q516-R518 VanDerWaalsContact C-N 3.32Å; Q516-R518 PolarHBondContact O-N 3.36Å; Q516-L519 PolarHBondContact O-N 2.9Å; Q516-Q520 PolarHBondContact O-N 2.85Å
517S60.5Low60.1Low71 Ų71114.2 Ų114.250%0.49763%0.633SS.*Hα-helixtrans-63.8-36.5175.1-55.30000112.3L513 Q514 L519 Q520L513-S517 PolarHBondContact O-N 2.9Å; L513-S517 PolarHBondContact O-OG 3.05Å; Q514-S517 PolarHBondContact O-N 3.47Å; S517-L519 VanDerWaalsContact C-N 3.33Å; S517-L519 PolarHBondContact O-N 3.35Å; S517-Q520 PolarHBondContact O-N 3.39Å
518R55.7Low58.1Low175 Ų175115.7 Ų115.766%0.6664%0.642SS**Hα-helixtrans-65.5-35.2175.3-73.5-177.3-174.2-133.73.1112.8Q514 N515 Q516 Q520 N521Q514-R518 WeakPolarHBondContact O-CG 3.36Å; Q514-R518 PolarHBondContact O-N 2.78Å; Q514-R518 VanDerWaalsContact O-N 3.1Å; N515-R518 PolarHBondContact O-N 2.92Å; Q516-R518 VanDerWaalsContact C-N 3.32Å; Q516-R518 PolarHBondContact O-N 3.36Å; R518-Q520 VanDerWaalsContact C-N 3.3Å; R518-Q520 PolarHBondContact O-N 3.02Å; R518-N521 PolarHBondContact O-N 3.32Å
519L54.3Low55.9Low142 Ų142113.3 Ų113.374%0.74364%0.644SS**Hα-helixtrans-69.3-27.3178.7-77162.6000112.9N515 Q516 S517N515-L519 WeakPolarHBondContact O-CG 3.35Å; N515-L519 PolarHBondContact O-N 3.36Å; N515-L519 VanDerWaalsContact O-N 3.14Å; Q516-L519 PolarHBondContact O-N 2.9Å; S517-L519 VanDerWaalsContact C-N 3.33Å; S517-L519 PolarHBondContact O-N 3.35Å
520Q57.1Low54.2Low144 Ų144114.1 Ų114.167%0.67366%0.657SS**Hα-helixtrans-79.1-19176.5-69.5-174.419.100113.6Q516 S517 R518Q516-Q520 PolarHBondContact O-N 2.85Å; S517-Q520 PolarHBondContact O-N 3.39Å; R518-Q520 VanDerWaalsContact C-N 3.3Å; R518-Q520 PolarHBondContact O-N 3.02Å
521N52.8Low52.1Low137 Ų137116.7 Ų116.773%0.73367%0.671SS**THydrogen-bonded Turntrans-97.75.7-174.3-68-8.6000114.2R518 G523R518-N521 PolarHBondContact O-N 3.32Å; N521-G523 VanDerWaalsContact C-N 3.31Å; N521-G523 PolarHBondContact O-N 3.09Å
522N44Very low49.9Very low161 Ų161118 Ų11886%0.86168%0.681SS**SBendtrans-97.239.2179-140.941.5000112.9
523G34.3Very low47.6Very low68 Ų68119.4 Ų119.470%0.70170%0.695SS**SBendtrans-147.2108.7174.700000111N521N521-G523 VanDerWaalsContact C-N 3.31Å; N521-G523 PolarHBondContact O-N 3.09Å
524G33.1Very low45.8Very low82 Ų82121.5 Ų121.585%0.84571%0.71SS**  trans107.980.8161.300000115.3
525A29.8Very low43.6Very low102 Ų102121.4 Ų121.484%0.84372%0.723SS**  trans-69.6118.1155.400000109.8
526V36.5Very low41.7Very low143 Ų143122.6 Ų122.687%0.86774%0.737SS**  trans-148.7115.2148.7174.70000106.4
527G29.9Very low40Very low72 Ų72123.5 Ų123.574%0.74275%0.753SS**  trans-73.2146.7174.900000111.8
528T36Very low38.9Very low124 Ų124126.2 Ų126.276%0.76177%0.77SS**  trans-143129.9140.3-167.70000107.1
529N34.6Very low37.8Very low140 Ų140124 Ų12475%0.74978%0.775SS**  trans-73.4128.4179.2-50.2-58.4000107.7
530D41.7Very low36.6Very low155 Ų155127.3 Ų127.383%0.82978%0.778SS**  trans-129.8120.1152.1-79.6-44000106
531D38.3Very low35.3Very low139 Ų139127.3 Ų127.374%0.74378%0.782SS**  trans-67.8145.6-167.5-61.2-64.1000112.8
532D32.3Very low34.4Very low143 Ų143126.3 Ų126.377%0.76578%0.783SS**  trans25.4116.5142.5-59-32.5000118.5
533D35.8Very low33.8Very low155 Ų155128.1 Ų128.183%0.82978%0.779SS**  -166.3125.8120.4-101.2-35.9000114.7
534T35.7Very low33.8Very low110 Ų110133.9 Ų133.968%0.67579%0.785SS**  trans7193.3140-53.20000118.8
535S31.1Very low33.7Very low114 Ų114139 Ų13980%0.79779%0.786SS**  trans-50.9125.7149.356.70000112.6
536S34.9Very low33.9Very low108 Ų108141.8 Ų141.876%0.75578%0.782SS**  trans-14490.4155.150.60000108.8
537S31.9Very low33.6Very low108 Ų108143.9 Ų143.976%0.75578%0.783SS**PPolyproline II helixtrans-68.2135.6171.8-57.80000110.2T539S537-T539 PolarHBondContact O-N 2.93Å
538P36.8Very low33.8Very low129 Ų129149 Ų14984%0.83879%0.787SS**PPolyproline II helixtrans-73.4117.6177.8-723.3000110R540P538-R540 PolarHBondContact O-N 2.96Å
539T32.8Very low33.7Very low127 Ų127150.3 Ų150.378%0.77979%0.79SS**PPolyproline II helixtrans-54.5121.9175.1-56.30000111.9S537 L541S537-T539 PolarHBondContact O-N 2.93Å; T539-L541 PolarHBondContact O-N 3.05Å
540R29.4Very low33.6Very low213 Ų213152.3 Ų152.380%0.80480%0.795SS**  trans-68.9113.3170.9-175-179.3-175.7-155.60.4109.1P538P538-R540 PolarHBondContact O-N 2.96Å
541L30.3Very low33.4Very low144 Ų144153.5 Ų153.575%0.75479%0.792SS**PPolyproline II helixtrans-75.1144.3177.2-70.3173.9000111.5T539T539-L541 PolarHBondContact O-N 3.05Å
542P33.5Very low33Very low115 Ų115154.7 Ų154.775%0.74779%0.793SS**PPolyproline II helixtrans-86.5138.5-168.7-3.224.3000111.9
543Y30.1Very low33.2Very low199 Ų199157.9 Ų157.978%0.7880%0.795SS**PPolyproline II helixtrans-71.6128.1171.7-57.1-95.8000108.7
544K34.9Very low33Very low189 Ų189158.5 Ų158.582%0.82279%0.79SS**PPolyproline II helixtrans-90.8121.3170.4-84.8179.3172.9177.70108.5E546K544-E546 PolarHBondContact O-N 3.34Å
545E30.7Very low33Very low189 Ų189161 Ų16188%0.88380%0.799SS**  trans-68.6113.2165.8-71.8163.4159.400107.7
546E34.9Very low33.2Very low161 Ų161162.5 Ų162.575%0.75280%0.798SS**  trans-108.4107.9164.6-69.8-175.4176.700106.3K544 E548K544-E546 PolarHBondContact O-N 3.34Å; E546-E548 PolarHBondContact O-N 2.79Å
547E29.9Very low33.2Very low188 Ų188167.9 Ų167.988%0.87980%0.803SS**  trans-69111.9172.1-62.3-179.4159.800108
548E34.5Very low33.5Very low180 Ų180170.9 Ų170.984%0.84181%0.81SS**  trans-119.6118166.7-74.8-163.8161.800109.8E546E546-E548 PolarHBondContact O-N 2.79Å
549D33.9Very low33.5Very low151 Ų151169.4 Ų169.481%0.80780%0.803SS**  trans-58.6139.7-171.2-66-57.2000114.9K551D549-K551 PolarHBondContact O-N 2.86Å
550E31.9Very low33.6Very low182 Ų182171.9 Ų171.985%0.8581%0.806SS**  trans-54.1119.9169-62.7178.1163.300111.7
551K37.1Very low34Very low180 Ų180165.5 Ų165.578%0.78381%0.806SS**  trans-121.484.6160.7-75.8-176.2-178.6171.40109.5D549 R553D549-K551 PolarHBondContact O-N 2.86Å; K551-R553 PolarHBondContact O-N 2.84Å
552E31.6Very low34.1Very low163 Ų163164.1 Ų164.176%0.76281%0.809SS**  trans-57.9111.6162.6-69-169.3152.900109.5
553R35.6Very low34.2Very low211 Ų211169 Ų16980%0.79681%0.814SS**  trans-102.890.5162.2-72.6-164.8-60.5-83-0.6108.3K551 L555K551-R553 PolarHBondContact O-N 2.84Å; R553-L555 PolarHBondContact O-N 3.05Å
554K32.2Very low34.4Very low167 Ų167169.7 Ų169.773%0.72682%0.815SS**  trans-66.3118.2157.3-74-174.9-179-178.90107.4
555L35.4Very low34.3Very low164 Ų164169.2 Ų169.286%0.85982%0.818SS**  trans-102.6112.8166.3-75.7173.5000106.8R553R553-L555 PolarHBondContact O-N 3.05Å
556D35.2Very low34.7Very low145 Ų145168.1 Ų168.178%0.77581%0.81SS**  trans-73.8153.5-179.3-67.8-43.6000111.6
557Y33.7Very low34.6Very low220 Ų220165 Ų16586%0.86381%0.806SS**  trans-34134.5170.4-116.3-115000115.1
558D39.2Very low35.1Very low172 Ų172162.2 Ų162.292%0.9279%0.793SS**  trans-142138.8146.8-93.7-32.1000111.7
559S36.8Very low35.3Very low98 Ų98160.4 Ų160.469%0.68579%0.789SS**  trans-87.8143.4-162.6177.60000112.7
560E35.9Very low35.6Very low179 Ų179163.1 Ų163.184%0.83679%0.79SS**  trans37.291146.2-60.2-62.3148.200118.1
561G36.8Very low35.9Very low79 Ų79160.8 Ų160.881%0.81478%0.783SS**  trans-106.887.4165.300000111.7Y563G561-Y563 PolarHBondContact O-N 3.39Å
562S31.8Very low36.4Very low114 Ų114158.1 Ų158.180%0.79778%0.782SS**  trans-54.3109.3167.4165.20000111.2
563Y36.8Very low36.5Very low219 Ų219157.4 Ų157.486%0.85978%0.783SS**  trans-90.1106.9171.3-169.4-100.4000110.1G561G561-Y563 PolarHBondContact O-N 3.39Å
564R34.4Very low36.7Very low213 Ų213158.1 Ų158.180%0.80479%0.787SS**  trans-65.4131.3-176.6-177.7177.9-178172.70.4112.5
565M32.3Very low36.8Very low179 Ų179157 Ų15788%0.88279%0.79SS**  trans-49.4131.8170.1-69.3-73.2164.400112.6
566K39.7Very low36.5Very low166 Ų166156.8 Ų156.872%0.72279%0.789SS**  trans-109.9106.5159.8-94.1-173.4162.2-138.80108.1E568K566-E568 WeakPolarHBondContact CE-OE1 3.27Å; K566-E568 IonicContact NZ-OE1 3.91Å; K566-E568 PolarHBondContact NZ-OE1 2.88Å
567S33Very low37Very low95 Ų95156 Ų15666%0.66479%0.79SS**  trans-92.3122158.8153.40000105.6
568E38.6Very low37.1Very low130 Ų130154.1 Ų154.161%0.60779%0.786SS**  trans-130.994.4171.7-77.6172.3-165.100106.1K566K566-E568 WeakPolarHBondContact CE-OE1 3.27Å; K566-E568 IonicContact NZ-OE1 3.91Å; K566-E568 PolarHBondContact NZ-OE1 2.88Å
569D39.5Very low36.7Very low142 Ų142152.4 Ų152.476%0.75978%0.776SS**  trans-68.6124.6170.3-56-40.1000108.9
570Y41Very low36.7Very low208 Ų208155.5 Ų155.582%0.81678%0.78SS**  trans-129.494.8159.4-84.4-80.1000109.3
571D37.4Very low36.5Very low133 Ų133151.9 Ų151.971%0.71178%0.78SS**  trans-80.7111.2160.7177.513.8000108.4
572T46.5Very low36.5Very low123 Ų123153.7 Ų153.776%0.75578%0.781SS**  trans-139.696.5156.656.70000109.4Y574T572-Y574 PolarHBondContact O-N 3.14Å
573N34.9Very low36.7Very low148 Ų148153.2 Ų153.279%0.79178%0.777SS**  trans-39.7121.7153.2-77-63.7000111.4
574Y38.8Very low36.6Very low227 Ų227149.4 Ų149.489%0.8977%0.772SS**  trans-126.9124.4157.8-157.1-95.6000109.1T572T572-Y574 PolarHBondContact O-N 3.14Å
575D36.1Very low36.5Very low144 Ų144149.6 Ų149.677%0.7777%0.772SS**  trans-56.2143.7-167.6-101.6-40.5000115.7T577D575-T577 PolarHBondContact O-N 2.88Å
576D28.6Very low36.4Very low158 Ų158151.9 Ų151.985%0.84577%0.772SS**  trans-51.2115.9156.6-100.7-32.4000111.5
577T46.1Very low36Very low130 Ų130152.1 Ų152.180%0.79878%0.775SS**  trans-153.3116.9143.944.30000112.3D575D575-T577 PolarHBondContact O-N 2.88Å
578K34.4Very low36.1Very low180 Ų180154.3 Ų154.378%0.78378%0.784SS**  81.897.4126.6-156.8168.2-164.6-157.70119.3
579L32.3Very low36Very low136 Ų136154.5 Ų154.571%0.71279%0.794SS**  70.9142121.4-90.1170.9000121.5
580E34.9Very low35.7Very low162 Ų162151 Ų15176%0.75779%0.792SS**  trans85.598.7158.1-61.6-68.514900117.8S582E580-S582 PolarHBondContact O-N 3.26Å
581A32.4Very low35.1Very low103 Ų103148 Ų14885%0.85179%0.79SS**  trans-53.5115.9157.100000111.2
582S37.6Very low34.8Very low117 Ų117147.9 Ų147.982%0.81879%0.789SS**  trans-133.694158.2-155.20000109.8E580E580-S582 PolarHBondContact O-N 3.26Å
583S35.8Very low34Very low104 Ų104149.9 Ų149.973%0.72779%0.793SS**  trans19.4109.4147.8-162.20000117.6R585S583-R585 PolarHBondContact O-N 3.26Å; S583-R585 VanDerWaalsContact O-N 3.08Å
584D35.4Very low34.1Very low140 Ų140151 Ų15175%0.74980%0.799SS**  trans-19.198.8151-68-54.5000114.8
585R30.4Very low33.7Very low216 Ų216143.4 Ų143.482%0.81579%0.789SS**  trans-109.476165.6-174.2177-68.2177.60.3108.4S583 H587S583-R585 PolarHBondContact O-N 3.26Å; S583-R585 VanDerWaalsContact O-N 3.08Å; R585-H587 PolarHBondContact O-N 2.95Å
586W30.3Very low33.3Very low228 Ų228142.2 Ų142.286%0.86479%0.792SS**PPolyproline II helixtrans-77.4119.2170.3-73.382.8000109.7
587H31.2Very low33.6Very low171 Ų171139.7 Ų139.779%0.79279%0.787SS**PPolyproline II helixtrans-58.5126.8-173.2-74-93.8000112.8R585R585-H587 PolarHBondContact O-N 2.95Å
588T35.2Very low32.8Very low140 Ų140139.5 Ų139.586%0.85979%0.786SS**PPolyproline II helixtrans-75.5125.9162.5-46.90000108.8
589V36.7Very low32.6Very low134 Ų134142.2 Ų142.281%0.81279%0.791SS**PPolyproline II helixtrans-66.2153.3176-72.10000112.1
590G34.1Very low32.3Very low69 Ų69141.5 Ų141.571%0.71179%0.792SS**PPolyproline II helixtrans-48.7142.9-168.200000115.4
591N27.7Very low32.2Very low146 Ų146139.9 Ų139.978%0.78179%0.793SS**  56.699.976.1-126.154.9000110.9
592D31.2Very low32.2Very low130 Ų130139.9 Ų139.970%0.69579%0.787SS**  163.7149.7110.2-74.5-30000112
593I30.9Very low31.7Very low164 Ų164144 Ų14484%0.84179%0.79SS**  trans79.281.6157.2-31.5-170.9000118
594L35Very low31.7Very low172 Ų172145 Ų14590%0.90179%0.794SS**  -167.5114.7117.1-171.462.7000111.6
595G31.6Very low31.4Very low67 Ų67144.3 Ų144.369%0.69180%0.795SS**  trans6886.1131.100000118.6S597G595-S597 PolarHBondContact O-N 3.13Å
596S28.4Very low31.3Very low119 Ų119140 Ų14083%0.83279%0.793SS**  trans-54.3123152.7-167.10000111
597S33.9Very low31.3Very low105 Ų105138.9 Ų138.973%0.73479%0.794SS**  trans-149.786.8155.81790000109.9G595 R599G595-S597 PolarHBondContact O-N 3.13Å; S597-R599 PolarHBondContact O-N 3.13Å; S597-R599 VanDerWaalsContact O-N 3.14Å
598T28.7Very low31.2Very low127 Ų127140.9 Ų140.978%0.77980%0.801SS**  trans-51.4110.916249.10000110.3
599R31.2Very low31.2Very low237 Ų237139.2 Ų139.289%0.89479%0.794SS**  trans-118.687.1163.1-155.2-178.5-103.6-152.4-1.1108.9S597S597-R599 PolarHBondContact O-N 3.13Å; S597-R599 VanDerWaalsContact O-N 3.14Å
600T26.5Very low30.8Very low120 Ų120136.4 Ų136.474%0.73679%0.793SS**  trans-63.8134.5155.850.70000108.5
601V32.7Very low30.7Very low128 Ų128141.4 Ų141.478%0.77680%0.798SS**  trans166.5135.2134.7160.50000110.2
602S32.5Very low30.9Very low104 Ų104142.6 Ų142.673%0.72780%0.799SS**  trans75.9100.4158.965.50000119.7P604S602-P604 WeakPolarHBondContact O-CD 3.47Å
603K27.1Very low30.9Very low202 Ų202144.9 Ų144.988%0.87881%0.805SS**PPolyproline II helixtrans-62.5127.6149.2-72.5171.3173.81740109.7
604P35.4Very low31Very low125 Ų125145.7 Ų145.781%0.81280%0.803SS**PPolyproline II helixtrans-93121.3154.517.5-0.6000109.2S602S602-P604 WeakPolarHBondContact O-CD 3.47Å
605T28.7Very low30.8Very low126 Ų126146.1 Ų146.177%0.77380%0.797SS**PPolyproline II helixtrans-71132.6172.539.70000112
606V27.3Very low31Very low127 Ų127147.7 Ų147.777%0.7779%0.793SS**  trans55111.5141.4-171.70000117.6
607K31.5Very low31.3Very low204 Ų204149.5 Ų149.589%0.88779%0.789SS**  trans-158.8105.3132.1-101.7161.9-166.4-173.10109.1S609K607-S609 PolarHBondContact O-N 3.17Å
608K29.3Very low31.5Very low213 Ų213150.1 Ų150.193%0.92678%0.783SS**  trans-80.9105165.9-72.2178.8175.4-179.70107.3
609S33.9Very low32.1Very low104 Ų104149.3 Ų149.373%0.72778%0.783SS**  trans-108.9105.4155.550.90000104.7K607K607-S609 PolarHBondContact O-N 3.17Å
610G28.3Very low32.6Very low76 Ų76143.2 Ų143.278%0.78477%0.768SS**  72.341.467.800000110.3
611Q33.3Very low33.4Very low174 Ų174145.8 Ų145.881%0.81378%0.776SS**  trans-87.7102.9166-79.4-174.4-35.300107.7H613Q611-H613 PolarHBondContact O-N 3.17Å
612E32.2Very low34.4Very low170 Ų170146.2 Ų146.279%0.79477%0.769SS**  trans-65.7106.7173.1-65.3-178.215500108.7F614E612-F614 PolarHBondContact O-N 3.26Å; E612-F614 VanDerWaalsContact O-N 3.11Å
613H31.3Very low35Very low179 Ų179143.8 Ų143.883%0.82976%0.761SS**  trans-69.2105.5163.4-78.9-87.2000107.9Q611 K615Q611-H613 PolarHBondContact O-N 3.17Å; H613-K615 PolarHBondContact O-N 3.32Å; H613-K615 VanDerWaalsContact O-N 3.08Å
614F32.5Very low36.5Very low181 Ų181141.5 Ų141.579%0.79476%0.763SS**  trans-54.1110.7167.8-96.2-100.3000109.4E612 V616E612-F614 PolarHBondContact O-N 3.26Å; E612-F614 VanDerWaalsContact O-N 3.11Å; F614-V616 VanDerWaalsContact C-N 3.35Å; F614-V616 PolarHBondContact O-N 3.37Å; F614-V616 VanDerWaalsContact O-N 3.1Å
615K30.4Very low37.5Very low181 Ų181143.2 Ų143.279%0.78777%0.765SS**  trans-75.887.1170.1-123178.1177.4-170.10107.6H613 E617H613-K615 PolarHBondContact O-N 3.32Å; H613-K615 VanDerWaalsContact O-N 3.08Å; K615-E617 PolarHBondContact O-N 2.99Å
616V35.4Very low39.4Very low99 Ų99140.4 Ų140.460%0.675%0.745SS**  trans-88.998.3164.7-179.90000106.1F614 N618F614-V616 VanDerWaalsContact C-N 3.35Å; F614-V616 PolarHBondContact O-N 3.37Å; F614-V616 VanDerWaalsContact O-N 3.1Å; V616-N618 VanDerWaalsContact CG1-OD1 3.3Å; V616-N618 WeakPolarHBondContact CG1-OD1 3.11Å; V616-N618 PolarHBondContact O-N 3.31Å
617E35.2Very low41.6Very low158 Ų158141.8 Ų141.874%0.73875%0.748SS**  trans-75.578.8170.2-61.2-138.8168.800108.5K615 S619K615-E617 PolarHBondContact O-N 2.99Å; E617-S619 PolarHBondContact O-N 3.41Å
618N37.4Very low43.9Very low117 Ų117137.5 Ų137.563%0.62673%0.731SS**  trans-82103163.3-75.8-7.7000107V616 D620V616-N618 VanDerWaalsContact CG1-OD1 3.3Å; V616-N618 WeakPolarHBondContact CG1-OD1 3.11Å; V616-N618 PolarHBondContact O-N 3.31Å; N618-D620 PolarHBondContact O-N 3.08Å
619S41.7Very low46.3Very low110 Ų110129 Ų12977%0.76970%0.698SS**  trans-6773.6167.456.70000109.2E617 I621E617-S619 PolarHBondContact O-N 3.41Å; S619-I621 PolarHBondContact O-N 3.44Å
620D42.8Very low48.4Very low109 Ų109132.7 Ų132.758%0.58370%0.696SS**  trans-73120171.3-71.5-33.7000108.1N618 H622N618-D620 PolarHBondContact O-N 3.08Å; D620-H622 PolarHBondContact O-CD2 3.23Å; D620-H622 PolarHBondContact O-N 3.16Å
621I43.5Very low50.6Low175 Ų175134.5 Ų134.590%0.89769%0.686SS**  trans-69.387176-61.9160.9000105.8S619 G623S619-I621 PolarHBondContact O-N 3.44Å; I621-G623 PolarHBondContact O-N 3.41Å
622H53.5Low52.9Low136 Ų136131.5 Ų131.563%0.6368%0.676SS**  trans-72.7123.6-174.4-84.6-84.7000111.3D620 D626D620-H622 PolarHBondContact O-CD2 3.23Å; D620-H622 PolarHBondContact O-N 3.16Å; H622-D626 WeakPolarHBondContact CB-OD1 3.26Å; H622-D626 IonicContact CG-OD1 2.74Å; H622-D626 IonicContact ND1-OD1 3.2Å; H622-D626 PolarHBondContact ND1-OD1 3.27Å
623G44.9Very low55.4Low54 Ų54127.1 Ų127.156%0.55767%0.669SS**  trans-64.7164.917500000112.3I621 L625 D626I621-G623 PolarHBondContact O-N 3.41Å; G623-L625 CarbonylContact O-C 3.42Å; G623-L625 PolarHBondContact O-N 2.9Å; G623-D626 PolarHBondContact O-N 3.1Å
624V57.1Low58Low153 Ų153120.3 Ų120.393%0.92765%0.647SS**SBendtrans-55.3-6.6-171.61730000115.6
625L57.5Low60.6Low162 Ų162117.2 Ų117.285%0.84864%0.643SS**  trans-114.160.1175.7-59.2176.3000110.1G623 D627G623-L625 CarbonylContact O-C 3.42Å; G623-L625 PolarHBondContact O-N 2.9Å; L625-D627 PolarHBondContact O-N 3Å
626D68.3Low63.4Low66 Ų66115.8 Ų115.835%0.35364%0.637SS.*PPolyproline II helixtrans-57.1130.7167.2-96.2-25.2000110.2H622 G623 E628 K644H622-D626 WeakPolarHBondContact CB-OD1 3.26Å; H622-D626 IonicContact CG-OD1 2.74Å; H622-D626 IonicContact ND1-OD1 3.2Å; H622-D626 PolarHBondContact ND1-OD1 3.27Å; G623-D626 PolarHBondContact O-N 3.1Å; D626-E628 PolarHBondContact O-N 3.02Å; D626-E628 VanDerWaalsContact O-N 3.14Å; D626-K644 VanDerWaalsContact CG-NZ 3.28Å; D626-K644 IonicContact OD2-NZ 2.72Å; D626-K644 PolarHBondContact OD2-NZ 3.27Å
627D74Confident65.9Low156 Ų156111.5 Ų111.583%0.83461%0.611SS**PPolyproline II helixtrans-55.6120.6173.8-68-27.8000110L625L625-D627 PolarHBondContact O-N 3Å
628E79.1Confident68.5Low115 Ų115106 Ų10654%0.53759%0.592SS.*PPolyproline II helixtrans-56.4136176.2-68.5-167.9159.400109.3D626 R630 L641 K645D626-E628 PolarHBondContact O-N 3.02Å; D626-E628 VanDerWaalsContact O-N 3.14Å; E628-R630 PolarHBondContact O-N 2.81Å; E628-L641 HydrophobicContact CB-CD1 3.9Å; E628-L641 HydrophobicContact CG-CD1 3.76Å; E628-K645 WeakPolarHBondContact OE1-CE 3.37Å; E628-K645 IonicContact OE1-NZ 2.88Å; E628-K645 PolarHBondContact OE1-NZ 3.17Å; E628-K645 IonicContact OE2-NZ 3.8Å
629P79.8Confident70.9Confident34 Ų34103.9 Ų103.922%0.22158%0.581CS.*PPolyproline II helixtrans-62.8129179.829.3-37.4000109.5L631 S637 R640 L641P629-L631 PolarHBondContact O-N 2.83Å; P629-S637 WeakPolarHBondContact CG-O 3.31Å; P629-R640 HydrophobicContact CG-CB 4.46Å; P629-L641 HydrophobicContact CG-CB 3.99Å
630R78Confident73.1Confident182 Ų182105.4 Ų105.469%0.68757%0.57SS**PPolyproline II helixtrans-56.2125.9-178.9-56173.695.8-130.36.4109.9E628 D632 A633 S637E628-R630 PolarHBondContact O-N 2.81Å; R630-D632 WeakPolarHBondContact CB-OD1 3.44Å; R630-D632 IonicContact CZ-OD2 3.97Å; R630-D632 IonicContact NH1-OD1 3.23Å; R630-D632 IonicContact NH1-OD2 3.53Å; R630-D632 PolarHBondContact NH1-OD2 2.72Å; R630-D632 IonicContact NH2-OD2 2.74Å; R630-D632 PolarHBondContact O-N 3.49Å; R630-A633 PolarHBondContact O-N 2.92Å; R630-S637 WeakPolarHBondContact O-CB 3.48Å; R630-S637 PolarHBondContact O-OG 3.1Å
631L75.3Confident75.3Confident113 Ų113101.2 Ų101.259%0.59255%0.547SS*.G310 helixtrans-70.1-13.8-176.5-64.3176.8000113P629 A633 A638 L641P629-L631 PolarHBondContact O-N 2.83Å; L631-A633 VanDerWaalsContact C-N 3.33Å; L631-A638 HydrophobicContact CD2-CB 4.14Å; L631-L641 HydrophobicContact CD2-CD2 3.78Å; L631-L641 HydrophobicContact CG-CD2 4.49Å
632D81.9Confident77.4Confident112 Ų11294 Ų9460%0.59951%0.514SS*.G310 helixtrans-75.2-19175.967-16.4000113.4R630 G634R630-D632 WeakPolarHBondContact CB-OD1 3.44Å; R630-D632 IonicContact CZ-OD2 3.97Å; R630-D632 IonicContact NH1-OD1 3.23Å; R630-D632 IonicContact NH1-OD2 3.53Å; R630-D632 PolarHBondContact NH1-OD2 2.72Å; R630-D632 IonicContact NH2-OD2 2.74Å; R630-D632 PolarHBondContact O-N 3.49Å; D632-G634 PolarHBondContact O-N 2.96Å; D632-G634 VanDerWaalsContact O-N 3.13Å
633A83.7Confident78.8Confident78 Ų7890.9 Ų90.965%0.64550%0.499SS*.G310 helixtrans-73.11.2179.500000114.2R630 L631R630-A633 PolarHBondContact O-N 2.92Å; L631-A633 VanDerWaalsContact C-N 3.33Å
634G86.9Confident80.6Confident36 Ų3693.7 Ų93.737%0.37150%0.496SS..  trans105.4-178.5173.800000114.6D632 F636 S637 A638D632-G634 PolarHBondContact O-N 2.96Å; D632-G634 VanDerWaalsContact O-N 3.13Å; G634-F636 PolarHBondContact O-N 2.87Å; G634-S637 PolarHBondContact O-N 3.49Å; G634-S637 PolarHBondContact O-OG 3.41Å; G634-A638 PolarHBondContact O-N 2.81Å
635V87.1Confident81.9Confident115 Ų11591.1 Ų91.170%0.69747%0.472SS*.Hα-helixtrans-57.2-29.8-172.4-179.40000113.2A638 I639V635-A638 PolarHBondContact O-N 2.75Å; V635-I639 HydrophobicContact CG1-CD1 3.95Å; V635-I639 HydrophobicContact CG1-CG1 4.33Å; V635-I639 WeakPolarHBondContact O-CG1 3.41Å; V635-I639 PolarHBondContact O-N 3.39Å
636F88.4Confident83.1Confident152 Ų15286 Ų8667%0.66746%0.459SS*.Hα-helixtrans-66.3-36.8178.4-175.8-101.3000113.1G634 I639 R640G634-F636 PolarHBondContact O-N 2.87Å; F636-I639 PolarHBondContact O-N 2.86Å; F636-R640 WeakPolarHBondContact O-CB 3.37Å; F636-R640 PolarHBondContact O-N 3.3Å
637S88.5Confident84Confident8 Ų891.3 Ų91.36%0.05648%0.475CS..Hα-helixtrans-69.5-39.4175.459.10000111.1P629 R630 G634 R640 L641P629-S637 WeakPolarHBondContact CG-O 3.31Å; R630-S637 WeakPolarHBondContact O-CB 3.48Å; R630-S637 PolarHBondContact O-OG 3.1Å; G634-S637 PolarHBondContact O-N 3.49Å; G634-S637 PolarHBondContact O-OG 3.41Å; S637-R640 PolarHBondContact O-N 3.4Å; S637-L641 PolarHBondContact O-N 2.84Å
638A88.8Confident84.6Confident42 Ų4287.1 Ų87.135%0.34745%0.452SS..Hα-helixtrans-60.6-43.7173.400000112.4L631 G634 V635 L641 A642L631-A638 HydrophobicContact CD2-CB 4.14Å; G634-A638 PolarHBondContact O-N 2.81Å; V635-A638 PolarHBondContact O-N 2.75Å; A638-L641 PolarHBondContact O-N 2.77Å; A638-A642 PolarHBondContact O-N 2.77Å
639I89Confident84.4Confident74 Ų7489 Ų8938%0.37947%0.466SS..Hα-helixtrans-62.5-44.9174.2-70168.6000110.4V635 F636 L641 A642 E643 I648V635-I639 HydrophobicContact CG1-CD1 3.95Å; V635-I639 HydrophobicContact CG1-CG1 4.33Å; V635-I639 WeakPolarHBondContact O-CG1 3.41Å; V635-I639 PolarHBondContact O-N 3.39Å; F636-I639 PolarHBondContact O-N 2.86Å; I639-L641 VanDerWaalsContact C-N 3.29Å; I639-L641 PolarHBondContact O-N 3.02Å; I639-A642 PolarHBondContact O-N 3.09Å; I639-A642 VanDerWaalsContact O-N 3.13Å; I639-E643 HydrophobicContact CG2-CG 4.3Å; I639-E643 WeakPolarHBondContact O-CG 3.37Å; I639-E643 PolarHBondContact O-N 3.43Å; I639-I648 HydrophobicContact CG2-CD1 4.05Å
640R87.8Confident84Confident142 Ų14293.5 Ų93.554%0.53648%0.482SS..Hα-helixtrans-64.4-34.2179.3-166.9155.9-174.6177.4-2.5112.5P629 F636 S637 K644P629-R640 HydrophobicContact CG-CB 4.46Å; F636-R640 WeakPolarHBondContact O-CB 3.37Å; F636-R640 PolarHBondContact O-N 3.3Å; S637-R640 PolarHBondContact O-N 3.4Å; R640-K644 WeakPolarHBondContact O-CG 3.48Å; R640-K644 PolarHBondContact O-N 3.03Å
641L89.1Confident83Confident20 Ų2093.7 Ų93.711%0.10549%0.49CS..Hα-helixtrans-65-46.3171.2-176.766.1000111.2E628 P629 L631 S637 A638 I639 E643 K644 K645E628-L641 HydrophobicContact CB-CD1 3.9Å; E628-L641 HydrophobicContact CG-CD1 3.76Å; P629-L641 HydrophobicContact CG-CB 3.99Å; L631-L641 HydrophobicContact CD2-CD2 3.78Å; L631-L641 HydrophobicContact CG-CD2 4.49Å; S637-L641 PolarHBondContact O-N 2.84Å; A638-L641 PolarHBondContact O-N 2.77Å; I639-L641 VanDerWaalsContact C-N 3.29Å; I639-L641 PolarHBondContact O-N 3.02Å; L641-E643 VanDerWaalsContact C-N 3.29Å; L641-E643 PolarHBondContact O-N 3.04Å; L641-K644 PolarHBondContact O-N 3.44Å; L641-K644 VanDerWaalsContact O-N 3.15Å; L641-K645 HydrophobicContact CD1-CD 4.26Å; L641-K645 HydrophobicContact CD1-CG 4.39Å; L641-K645 HydrophobicContact CG-CD 4.18Å; L641-K645 WeakPolarHBondContact O-CB 3.3Å; L641-K645 WeakPolarHBondContact O-CG 3.42Å; L641-K645 PolarHBondContact O-N 3.27Å
642A85.8Confident81.9Confident24 Ų2497.8 Ų97.820%0.19850%0.503CS..Hα-helixtrans-61.6-38.2177.400000112A638 I639 K645 G646 Y647 I648A638-A642 PolarHBondContact O-N 2.77Å; I639-A642 PolarHBondContact O-N 3.09Å; I639-A642 VanDerWaalsContact O-N 3.13Å; A642-K645 PolarHBondContact O-N 3.33Å; A642-G646 PolarHBondContact O-N 2.8Å; A642-Y647 PolarHBondContact O-N 3.45Å; A642-I648 HydrophobicContact CB-CD1 3.74Å; A642-I648 HydrophobicContact CB-CG1 4.21Å
643E84.4Confident80.5Confident71 Ų71101.1 Ų101.133%0.33252%0.515SS..Hα-helixtrans-64.8-43.8171.7-70.5-175.1165.800112.3I639 L641 K645 G646 I648 K650I639-E643 HydrophobicContact CG2-CG 4.3Å; I639-E643 WeakPolarHBondContact O-CG 3.37Å; I639-E643 PolarHBondContact O-N 3.43Å; L641-E643 VanDerWaalsContact C-N 3.29Å; L641-E643 PolarHBondContact O-N 3.04Å; E643-K645 VanDerWaalsContact C-N 3.32Å; E643-K645 PolarHBondContact O-N 3.49Å; E643-G646 PolarHBondContact O-N 3.43Å; E643-I648 HydrophobicContact CG-CB 4.2Å; E643-I648 HydrophobicContact CG-CD1 3.84Å; E643-I648 HydrophobicContact CG-CG2 4.39Å; E643-K650 WeakPolarHBondContact OE1-CE 3.3Å; E643-K650 IonicContact OE1-NZ 3.61Å; E643-K650 WeakPolarHBondContact OE2-CE 3.38Å; E643-K650 IonicContact OE2-NZ 2.73Å; E643-K650 PolarHBondContact OE2-NZ 2.83Å
644K81.9Confident78.7Confident113 Ų113106.5 Ų106.549%0.49152%0.524SS..Hα-helixtrans-67.1-32177.4-74.9-174.488.7162.50112.6D626 R640 L641 G646D626-K644 VanDerWaalsContact CG-NZ 3.28Å; D626-K644 IonicContact OD2-NZ 2.72Å; D626-K644 PolarHBondContact OD2-NZ 3.27Å; R640-K644 WeakPolarHBondContact O-CG 3.48Å; R640-K644 PolarHBondContact O-N 3.03Å; L641-K644 PolarHBondContact O-N 3.44Å; L641-K644 VanDerWaalsContact O-N 3.15Å; K644-G646 VanDerWaalsContact C-N 3.28Å
645K85.4Confident76.7Confident98 Ų98116.8 Ų116.843%0.42655%0.552SS.*THydrogen-bonded Turntrans-79.5-7.6175.9-71.4-172.8172.8175.70113.6E628 L641 A642 E643 Y647E628-K645 WeakPolarHBondContact OE1-CE 3.37Å; E628-K645 IonicContact OE1-NZ 2.88Å; E628-K645 PolarHBondContact OE1-NZ 3.17Å; E628-K645 IonicContact OE2-NZ 3.8Å; L641-K645 HydrophobicContact CD1-CD 4.26Å; L641-K645 HydrophobicContact CD1-CG 4.39Å; L641-K645 HydrophobicContact CG-CD 4.18Å; L641-K645 WeakPolarHBondContact O-CB 3.3Å; L641-K645 WeakPolarHBondContact O-CG 3.42Å; L641-K645 PolarHBondContact O-N 3.27Å; A642-K645 PolarHBondContact O-N 3.33Å; E643-K645 VanDerWaalsContact C-N 3.32Å; E643-K645 PolarHBondContact O-N 3.49Å; K645-Y647 HydrophobicContact CB-CD2 3.55Å; K645-Y647 HydrophobicContact CB-CE2 3.45Å; K645-Y647 VanDerWaalsContact CB-CE2 3.45Å; K645-Y647 HydrophobicContact CB-CG 4.37Å; K645-Y647 HydrophobicContact CD-CD2 4.44Å; K645-Y647 HydrophobicContact CD-CE2 3.71Å; K645-Y647 HydrophobicContact CG-CE2 4.15Å
646G81.2Confident74.7Confident54 Ų54117.3 Ų117.356%0.55756%0.556SS**THydrogen-bonded Turntrans76.123-179.600000114.1A642 E643 K644 I648A642-G646 PolarHBondContact O-N 2.8Å; E643-G646 PolarHBondContact O-N 3.43Å; K644-G646 VanDerWaalsContact C-N 3.28Å; G646-I648 VanDerWaalsContact C-N 3.34Å
647Y88.8Confident72.3Confident179 Ų179114.4 Ų114.470%0.70257%0.568SS**  trans-83.3-10.6174.9-62.6-52000113.5A642 K645A642-Y647 PolarHBondContact O-N 3.45Å; K645-Y647 HydrophobicContact CB-CD2 3.55Å; K645-Y647 HydrophobicContact CB-CE2 3.45Å; K645-Y647 VanDerWaalsContact CB-CE2 3.45Å; K645-Y647 HydrophobicContact CB-CG 4.37Å; K645-Y647 HydrophobicContact CD-CD2 4.44Å; K645-Y647 HydrophobicContact CD-CE2 3.71Å; K645-Y647 HydrophobicContact CG-CE2 4.15Å
648I85.1Confident70.2Confident68 Ų68119.2 Ų119.235%0.34960%0.602SS.*SBendtrans-115.6114.6179-67.5167.5000108.6I639 A642 E643 G646 K650I639-I648 HydrophobicContact CG2-CD1 4.05Å; A642-I648 HydrophobicContact CB-CD1 3.74Å; A642-I648 HydrophobicContact CB-CG1 4.21Å; E643-I648 HydrophobicContact CG-CB 4.2Å; E643-I648 HydrophobicContact CG-CD1 3.84Å; E643-I648 HydrophobicContact CG-CG2 4.39Å; G646-I648 VanDerWaalsContact C-N 3.34Å; I648-K650 PolarHBondContact O-N 2.9Å; I648-K650 VanDerWaalsContact O-N 3.09Å
649D75Confident68.1Low155 Ų155120.6 Ų120.683%0.82962%0.62SS**  trans-68.4103.3174.6-72.8-30.5000110.1E651D649-E651 PolarHBondContact O-N 3.34Å
650K71.9Confident66.1Low128 Ų128123 Ų12356%0.55764%0.638SS**  trans-79.1101.6168.7-66-175.8-178.7-177.10107.9E643 I648 K652E643-K650 WeakPolarHBondContact OE1-CE 3.3Å; E643-K650 IonicContact OE1-NZ 3.61Å; E643-K650 WeakPolarHBondContact OE2-CE 3.38Å; E643-K650 IonicContact OE2-NZ 2.73Å; E643-K650 PolarHBondContact OE2-NZ 2.83Å; I648-K650 PolarHBondContact O-N 2.9Å; I648-K650 VanDerWaalsContact O-N 3.09Å; K650-K652 PolarHBondContact O-N 3.36Å
651E57.7Low64.3Low185 Ų185122.4 Ų122.486%0.86464%0.643SS**SBendtrans-54.7105.5171.8-63.9-175.2-174.900110.3D649D649-E651 PolarHBondContact O-N 3.34Å
652K52.4Low63.1Low199 Ų199126.2 Ų126.287%0.86567%0.667SS**  trans154.548151.7-83164.5-167.2178.90111.2K650 K654K650-K652 PolarHBondContact O-N 3.36Å; K652-K654 PolarHBondContact O-N 2.92Å
653E50.8Low61.9Low182 Ų182132.5 Ų132.585%0.8570%0.697SS**  trans-87.3106.8165.2-65.7-146.1157.900110.5R655E653-R655 PolarHBondContact O-N 3.04Å; E653-R655 VanDerWaalsContact O-N 3.15Å
654K46Very low60.8Low192 Ų192135.5 Ų135.584%0.83572%0.715SS**  trans-58.2114.8161.9-69.7-175.9176.6-179.50107.1K652 T656K652-K654 PolarHBondContact O-N 2.92Å; K654-T656 VanDerWaalsContact C-N 3.35Å; K654-T656 PolarHBondContact O-N 3.32Å
655R44.7Very low59.6Low252 Ų252137.4 Ų137.495%0.95173%0.728SS**  trans-42.692.1170.7-66.6176145.3146.2-3.6111.4E653 G657E653-R655 PolarHBondContact O-N 3.04Å; E653-R655 VanDerWaalsContact O-N 3.15Å; R655-G657 PolarHBondContact O-N 2.92Å
656T45.2Very low58.2Low126 Ų126137 Ų13777%0.77374%0.742SS**  trans-81.4108.5157.852.90000105.4K654 S658K654-T656 VanDerWaalsContact C-N 3.35Å; K654-T656 PolarHBondContact O-N 3.32Å; T656-S658 VanDerWaalsContact C-N 3.29Å; T656-S658 PolarHBondContact O-N 2.93Å
657G39.8Very low57.6Low90 Ų90142.2 Ų142.293%0.92875%0.75SS**  trans-61.289.5179.300000111.1R655R655-G657 PolarHBondContact O-N 2.92Å
658S44.1Very low56.3Low110 Ų110142.5 Ų142.577%0.76976%0.757SS**  trans-104.9124.4156.1-168.70000105.6T656 T660T656-S658 VanDerWaalsContact C-N 3.29Å; T656-S658 PolarHBondContact O-N 2.93Å; S658-T660 PolarHBondContact O-N 2.86Å
659G44.6Very low55.1Low71 Ų71147.6 Ų147.673%0.73278%0.777SS**  trans-43.9121.7-165.900000112.8M661G659-M661 PolarHBondContact O-N 3.16Å
660T46.9Very low54.8Low123 Ų123145.9 Ų145.976%0.75577%0.772SS**  trans-50.3113172.645.40000108.8S658 V662S658-T660 PolarHBondContact O-N 2.86Å; T660-V662 WeakPolarHBondContact O-CG2 3.19Å; T660-V662 PolarHBondContact O-N 3.06Å
661M50.1Low54.5Low130 Ų130148 Ų14864%0.6478%0.784SS**  trans-73.774.4171.5-159.7175.7-63.400107.7G659 N663 L664G659-M661 PolarHBondContact O-N 3.16Å; M661-N663 PolarHBondContact O-N 3Å; M661-N663 VanDerWaalsContact O-N 3.08Å; M661-L664 HydrophobicContact CG-CB 4.2Å; M661-L664 HydrophobicContact CG-CD1 4.17Å; M661-L664 HydrophobicContact CG-CG 3.83Å; M661-L664 PolarHBondContact O-N 3.47Å; M661-L664 HydrophobicContact SD-CB 4.2Å; M661-L664 HydrophobicContact SD-CD1 3.11Å; M661-L664 WeakPolarHBondContact SD-CD1 3.26Å; M661-L664 HydrophobicContact SD-CG 3.39Å; M661-L664 WeakPolarHBondContact SD-CG 3.27Å
662V63.7Low54.8Low101 Ų101146.9 Ų146.961%0.61278%0.779SS**G310 helixtrans-57.1-25.4-177.3179.20000110.9T660 L664T660-V662 WeakPolarHBondContact O-CG2 3.19Å; T660-V662 PolarHBondContact O-N 3.06Å; V662-L664 VanDerWaalsContact C-N 3.34Å; V662-L664 PolarHBondContact O-N 3.08Å
663N59.9Low55.4Low155 Ų155144.4 Ų144.483%0.82978%0.775SS**G310 helixtrans-77.2-11.2178.7-61.373.8000114.8M661M661-N663 PolarHBondContact O-N 3Å; M661-N663 VanDerWaalsContact O-N 3.08Å
664L61.9Low56Low134 Ų134141.5 Ų141.570%0.70276%0.764SS**G310 helixtrans-107-1173.9-67.6-165.9000113.6M661 V662 A666M661-L664 HydrophobicContact CG-CB 4.2Å; M661-L664 HydrophobicContact CG-CD1 4.17Å; M661-L664 HydrophobicContact CG-CG 3.83Å; M661-L664 PolarHBondContact O-N 3.47Å; M661-L664 HydrophobicContact SD-CB 4.2Å; M661-L664 HydrophobicContact SD-CD1 3.11Å; M661-L664 WeakPolarHBondContact SD-CD1 3.26Å; M661-L664 HydrophobicContact SD-CG 3.39Å; M661-L664 WeakPolarHBondContact SD-CG 3.27Å; V662-L664 VanDerWaalsContact C-N 3.34Å; V662-L664 PolarHBondContact O-N 3.08Å; L664-A666 PolarHBondContact O-N 3.37Å
665M57Low56.5Low154 Ų154141.4 Ų141.476%0.75976%0.758SS**SBendtrans-70.8111.1176.9-151168.2-165.400108K667M665-K667 PolarHBondContact O-N 2.79Å
666A54.7Low57.3Low89 Ų89139.3 Ų139.374%0.73675%0.752SS**  trans-55.5103.7175.400000108.4L664 H668L664-A666 PolarHBondContact O-N 3.37Å; A666-H668 PolarHBondContact O-N 3.13Å; A666-H668 VanDerWaalsContact O-N 3.16Å
667K69.9Low58.2Low164 Ų164140 Ų14071%0.71375%0.751SS**  trans-65.3116.7166.7-69.9-179.4-178.7178.40104.9M665 F669M665-K667 PolarHBondContact O-N 2.79Å; K667-F669 VanDerWaalsContact C-N 3.28Å; K667-F669 HydrophobicContact CB-CD2 4.08Å; K667-F669 HydrophobicContact CB-CE2 3.7Å; K667-F669 HydrophobicContact CB-CZ 4.35Å; K667-F669 HydrophobicContact CD-CE2 4.5Å; K667-F669 WeakPolarHBondContact O-CD2 3.4Å; K667-F669 PolarHBondContact O-N 3.36Å
668H61Low59.4Low184 Ų184140.2 Ų140.285%0.85273%0.731SS**  trans-53.398.2168-102.6-126.7000107.9A666A666-H668 PolarHBondContact O-N 3.13Å; A666-H668 VanDerWaalsContact O-N 3.16Å
669F59.8Low60.2Low176 Ų176140.2 Ų140.277%0.77272%0.721SS**  trans-89.1109.2165.3-76.5-81.2000105.8K667 Q671K667-F669 VanDerWaalsContact C-N 3.28Å; K667-F669 HydrophobicContact CB-CD2 4.08Å; K667-F669 HydrophobicContact CB-CE2 3.7Å; K667-F669 HydrophobicContact CB-CZ 4.35Å; K667-F669 HydrophobicContact CD-CE2 4.5Å; K667-F669 WeakPolarHBondContact O-CD2 3.4Å; K667-F669 PolarHBondContact O-N 3.36Å; F669-Q671 PolarHBondContact O-N 3.02Å
670V69.4Low61.4Low119 Ų119142.7 Ų142.772%0.72172%0.717SS**  trans-78.9104.4162.5179.80000104.6E672V670-E672 HydrophobicContact CG1-CG 4.25Å; V670-E672 PolarHBondContact O-N 2.72Å; V670-E672 VanDerWaalsContact O-N 3.16Å
671Q65.9Low62.2Low172 Ų172138.8 Ų138.880%0.80470%0.698SS**  trans-76.799.3170.3-173.5147.3-25.600106.4F669 D673F669-Q671 PolarHBondContact O-N 3.02Å; Q671-D673 PolarHBondContact O-N 3.24Å
672E63.6Low62.9Low162 Ų162139.7 Ų139.776%0.75770%0.698SS**  trans-69.7124168.8-67-177.2174.400107.6V670 I674V670-E672 HydrophobicContact CG1-CG 4.25Å; V670-E672 PolarHBondContact O-N 2.72Å; V670-E672 VanDerWaalsContact O-N 3.16Å; E672-I674 PolarHBondContact O-N 3.41Å
673D65.2Low62.9Low147 Ų147140.8 Ų140.879%0.78670%0.695SS**  trans-63101.3173-76-27.9000108.3Q671 R675Q671-D673 PolarHBondContact O-N 3.24Å; D673-R675 PolarHBondContact O-N 3.31Å
674I61.9Low63.2Low120 Ų120142.2 Ų142.262%0.61569%0.69SS**  trans-61.4104.7172.6-60.8166.1000106E672 Y676E672-I674 PolarHBondContact O-N 3.41Å; I674-Y676 PolarHBondContact O-N 3.17Å
675R58.2Low63.1Low190 Ų190142.1 Ų142.172%0.71768%0.684SS**  trans-63.5129.8174.7-60.8-147.7-164.1-167.38108.2D673 D677 D678D673-R675 PolarHBondContact O-N 3.31Å; R675-D677 PolarHBondContact O-N 3.49Å; R675-D678 PolarHBondContact O-N 2.97Å
676Y61.5Low63.3Low209 Ų209143.2 Ų143.282%0.8268%0.68SS**THydrogen-bonded Turntrans-62.9-13.2-176-82-92.1000113.8I674I674-Y676 PolarHBondContact O-N 3.17Å
677D63.8Low63.6Low140 Ų140145 Ų14575%0.74968%0.677SS**THydrogen-bonded Turntrans-86.2-8.1179.9-59.6-35.7000114.3R675 I679R675-D677 PolarHBondContact O-N 3.49Å; D677-I679 VanDerWaalsContact C-N 3.25Å; D677-I679 PolarHBondContact O-N 3.43Å
678D63.9Low63.2Low95 Ų95146.3 Ų146.351%0.50868%0.677SS.*  trans-76.678.4177.5-69.1-18000110.2R675 D680 A681R675-D678 PolarHBondContact O-N 2.97Å; D678-D680 PolarHBondContact O-N 3.4Å; D678-D680 VanDerWaalsContact O-N 3.14Å; D678-A681 HydrophobicContact CB-CB 4.19Å; D678-A681 WeakPolarHBondContact O-CB 3.41Å; D678-A681 PolarHBondContact O-N 2.86Å
679I62.3Low63.2Low110 Ų110147.8 Ų147.856%0.56468%0.677SS**Hα-helixtrans-52-32.7174.251.6171.1000112D677 A681 K682 F683D677-I679 VanDerWaalsContact C-N 3.25Å; D677-I679 PolarHBondContact O-N 3.43Å; I679-A681 VanDerWaalsContact C-N 3.27Å; I679-A681 PolarHBondContact O-N 3.44Å; I679-K682 WeakPolarHBondContact O-CB 3.35Å; I679-K682 PolarHBondContact O-N 2.83Å; I679-K682 VanDerWaalsContact O-N 3.09Å; I679-F683 WeakPolarHBondContact O-CD2 3.11Å; I679-F683 PolarHBondContact O-N 2.76Å
680D68.4Low63.4Low122 Ų122144.2 Ų144.265%0.65267%0.674SS**Hα-helixtrans-62.9-32.6178.1-66.1-14.6000112.2D678 K682 F683 Y684D678-D680 PolarHBondContact O-N 3.4Å; D678-D680 VanDerWaalsContact O-N 3.14Å; D680-K682 VanDerWaalsContact C-N 3.34Å; D680-K682 PolarHBondContact O-N 3.24Å; D680-F683 PolarHBondContact O-N 3.29Å; D680-Y684 PolarHBondContact O-N 3.48Å
681A65.2Low63.3Low42 Ų42140.7 Ų140.735%0.34766%0.662SS.*Hα-helixtrans-70.3-29.2176.200000112.7D678 I679D678-A681 HydrophobicContact CB-CB 4.19Å; D678-A681 WeakPolarHBondContact O-CB 3.41Å; D678-A681 PolarHBondContact O-N 2.86Å; I679-A681 VanDerWaalsContact C-N 3.27Å; I679-A681 PolarHBondContact O-N 3.44Å
682K63.9Low63.7Low148 Ų148138.8 Ų138.864%0.64366%0.664SS**Hα-helixtrans-69.7-39.3173.2-79.3-179.1-171.51760111.4I679 D680I679-K682 WeakPolarHBondContact O-CB 3.35Å; I679-K682 PolarHBondContact O-N 2.83Å; I679-K682 VanDerWaalsContact O-N 3.09Å; D680-K682 VanDerWaalsContact C-N 3.34Å; D680-K682 PolarHBondContact O-N 3.24Å
683F63.7Low63.9Low124 Ų124139.6 Ų139.654%0.54467%0.672SS.*Hα-helixtrans-76.7-33.2-179.2-69.4-74000112.9I679 D680 K685 R686I679-F683 WeakPolarHBondContact O-CD2 3.11Å; I679-F683 PolarHBondContact O-N 2.76Å; D680-F683 PolarHBondContact O-N 3.29Å; F683-K685 PolarHBondContact O-N 3.4Å; F683-K685 VanDerWaalsContact O-N 3.1Å; F683-R686 PolarHBondContact O-N 2.8Å; F683-R686 VanDerWaalsContact O-N 3.1Å
684Y65.6Low64.3Low185 Ų185137.5 Ų137.573%0.72567%0.67SS**Hα-helixtrans-63.3-19.6178.6-130.3-83.4000114.6D680D680-Y684 PolarHBondContact O-N 3.48Å
685K61.2Low64.9Low133 Ų133138.4 Ų138.458%0.57868%0.675SS**Hα-helixtrans-83.3-25.7176.8-66.9-178.4-172177.60113.1F683 D687F683-K685 PolarHBondContact O-N 3.4Å; F683-K685 VanDerWaalsContact O-N 3.1Å; K685-D687 PolarHBondContact O-N 2.74Å
686R59.5Low65.5Low177 Ų177137.8 Ų137.867%0.66868%0.678SS**Hα-helixtrans-66.3-38.4-177-167.29573.782.42.8111.7F683 R688F683-R686 PolarHBondContact O-N 2.8Å; F683-R686 VanDerWaalsContact O-N 3.1Å; R686-R688 VanDerWaalsContact C-N 3.29Å; R686-R688 PolarHBondContact O-N 3.22Å
687D61.1Low66.2Low126 Ų126135.3 Ų135.367%0.67467%0.672SS**G310 helixtrans-75.8-12.5-173.8-72.6-18.9000114.4K685 Y689 S690K685-D687 PolarHBondContact O-N 2.74Å; D687-Y689 PolarHBondContact O-N 3.13Å; D687-S690 PolarHBondContact O-N 3.25Å
688R62.6Low66.6Low192 Ų192137.4 Ų137.473%0.72568%0.677SS**G310 helixtrans-67.5-22.8179.3-66.7-171.4-166.3-177.92.9113.7R686R686-R688 VanDerWaalsContact C-N 3.29Å; R686-R688 PolarHBondContact O-N 3.22Å
689Y60.6Low67Low214 Ų214138 Ų13884%0.83968%0.68SS**G310 helixtrans-105.80.2-177.7-62.9-78.8000113.6D687D687-Y689 PolarHBondContact O-N 3.13Å
690S64.6Low67.8Low102 Ų102138 Ų13871%0.71369%0.685SS**  trans-104.137.9-179.8-1710000112.5D687D687-S690 PolarHBondContact O-N 3.25Å
691G67.1Low68.5Low45 Ų45140.5 Ų140.546%0.46469%0.693SS.*SBendtrans-105.1148171.400000111.3L693G691-L693 PolarHBondContact O-N 3.25Å
692P73.4Confident69.5Low132 Ų132146.6 Ų146.686%0.85771%0.708SS**  trans-52.9125174.8-25.534.5000111.2S694P692-S694 PolarHBondContact O-N 3.14Å
693L69.1Low70.5Confident178 Ų178148.6 Ų148.693%0.93272%0.717SS**  trans-55.5112.4178.1-60.2168.8000108.9G691G691-L693 PolarHBondContact O-N 3.25Å
694S72.7Confident71.8Confident104 Ų104145.5 Ų145.573%0.72771%0.709SS**  trans-87.3125.8173.6-155.20000108.6P692 F696P692-S694 PolarHBondContact O-N 3.14Å; S694-F696 PolarHBondContact O-N 3.39Å
695D74Confident72.8Confident138 Ų138143.4 Ų143.474%0.73871%0.71SS**  trans-62.3126.1174.6-90.8-20000110.5K697D695-K697 PolarHBondContact O-N 2.78Å
696F70.6Confident74.2Confident177 Ų177143 Ų14378%0.77671%0.713SS**  trans-69.672.1179.5-74.2-87.8000112.3S694 E698S694-F696 PolarHBondContact O-N 3.39Å; F696-E698 VanDerWaalsContact C-N 3.25Å; F696-E698 PolarHBondContact O-N 2.82Å
697K76.8Confident75.5Confident157 Ų157142.3 Ų142.368%0.68372%0.715SS**G310 helixtrans-70.3-22176.4-69.7-179.9-177.5177.80113.2D695 L699 T700D695-K697 PolarHBondContact O-N 2.78Å; K697-L699 PolarHBondContact O-N 3.01Å; K697-T700 WeakPolarHBondContact O-CG2 3.48Å; K697-T700 PolarHBondContact O-N 3.37Å; K697-T700 PolarHBondContact O-OG1 3.48Å
698E73.2Confident76.8Confident184 Ų184141.8 Ų141.886%0.8671%0.712SS**G310 helixtrans-65.7-21.8-174.4-63.2-176.2-178.200113.8F696F696-E698 VanDerWaalsContact C-N 3.25Å; F696-E698 PolarHBondContact O-N 2.82Å
699L71.9Confident78Confident109 Ų109139.5 Ų139.557%0.57171%0.71SS**G310 helixtrans-98.5-1.5-178.3-79.170000113.5K697 Q701 Y702K697-L699 PolarHBondContact O-N 3.01Å; L699-Q701 PolarHBondContact O-N 3.32Å; L699-Q701 VanDerWaalsContact O-N 3.1Å; L699-Y702 WeakPolarHBondContact O-CB 3.39Å; L699-Y702 PolarHBondContact O-N 2.9Å
700T79.4Confident79.5Confident110 Ų110133.5 Ų133.568%0.67569%0.686SS**THydrogen-bonded Turntrans-62.1-22.1-178.256.60000113.5K697K697-T700 WeakPolarHBondContact O-CG2 3.48Å; K697-T700 PolarHBondContact O-N 3.37Å; K697-T700 PolarHBondContact O-OG1 3.48Å
701Q83.4Confident80.7Confident174 Ų174132.4 Ų132.481%0.81368%0.675SS**THydrogen-bonded Turntrans-1031.2177.5-62.3-172-25.800113.8L699 K703L699-Q701 PolarHBondContact O-N 3.32Å; L699-Q701 VanDerWaalsContact O-N 3.1Å; Q701-K703 PolarHBondContact O-N 3.04Å; Q701-K703 VanDerWaalsContact O-N 3.17Å
702Y84.5Confident81.6Confident169 Ų169132.1 Ų132.166%0.66366%0.663SS**  trans-78104-176.5-173.6-109.9000111L699 P704L699-Y702 WeakPolarHBondContact O-CB 3.39Å; L699-Y702 PolarHBondContact O-N 2.9Å; Y702-P704 HydrophobicContact CD1-CG 4.13Å; Y702-P704 HydrophobicContact CE1-CB 4.04Å; Y702-P704 HydrophobicContact CE1-CG 3.55Å
703K86.4Confident82.2Confident190 Ų190134.4 Ų134.483%0.82666%0.662SS**  trans-122.381.4176.2-64.3-175.5-178.9-176.90109.5Q701 D705Q701-K703 PolarHBondContact O-N 3.04Å; Q701-K703 VanDerWaalsContact O-N 3.17Å; K703-D705 PolarHBondContact O-N 3.42Å
704P89.8Confident82.8Confident60 Ų60131.3 Ų131.339%0.3965%0.646SS.*  trans-67.7133179.528.7-33.9000110.3Y702 I706Y702-P704 HydrophobicContact CD1-CG 4.13Å; Y702-P704 HydrophobicContact CE1-CB 4.04Å; Y702-P704 HydrophobicContact CE1-CG 3.55Å; P704-I706 HydrophobicContact CB-CG1 4.11Å; P704-I706 HydrophobicContact CG-CD1 4.09Å; P704-I706 HydrophobicContact CG-CG1 4.16Å; P704-I706 PolarHBondContact O-N 3.33Å
705D87.7Confident83.4Confident140 Ų140129 Ų12975%0.74964%0.638SS**  trans-8198.1169-174.824.8000108.4K703K703-D705 PolarHBondContact O-N 3.42Å
706I89Confident83.9Confident124 Ų124126.2 Ų126.264%0.63662%0.617SS**PPolyproline II helixtrans-93116.5-174.6-58.2165.5000108.7P704 L708P704-I706 HydrophobicContact CB-CG1 4.11Å; P704-I706 HydrophobicContact CG-CD1 4.09Å; P704-I706 HydrophobicContact CG-CG1 4.16Å; P704-I706 PolarHBondContact O-N 3.33Å; I706-L708 HydrophobicContact CG2-CD2 4Å
707K87.6Confident84.8Confident163 Ų163123.1 Ų123.171%0.70961%0.609SS**PPolyproline II helixtrans-100.7123.8172.4-64.9179.7-176.3176.60109.2
708L87.5Confident85.3Confident116 Ų116116.2 Ų116.261%0.60758%0.579SS**PPolyproline II helixtrans-96.7116.1178.4-60.7176.9000109.1I706 Y710I706-L708 HydrophobicContact CG2-CD2 4Å; L708-Y710 HydrophobicContact CB-CE2 3.91Å
709E89.7Confident86Confident144 Ų144111 Ų11167%0.67356%0.563SS**PPolyproline II helixtrans-98.3134.5168.7-62.2-65.4164.800108.2
710Y91.7Very high86.9Confident87 Ų87109.7 Ų109.734%0.34157%0.568SS.*EExtended strand (participates in β ladder)trans-111.9144.3178.4-66.8-86.8000108.7L708 D717 L718 A723 L727L708-Y710 HydrophobicContact CB-CE2 3.91Å; Y710-D717 CarbonylContact O-C 3.59Å; Y710-D717 WeakPolarHBondContact O-CA 3.3Å; Y710-L718 VanDerWaalsContact O-CB 3.31Å; Y710-L718 WeakPolarHBondContact O-CB 3.07Å; Y710-L718 PolarHBondContact O-N 2.9Å; Y710-A723 HydrophobicContact CD1-CB 4.12Å; Y710-A723 HydrophobicContact CD2-CB 3.33Å; Y710-A723 HydrophobicContact CE2-CB 4Å; Y710-A723 HydrophobicContact CG-CB 3.4Å; Y710-L727 HydrophobicContact CE1-CD1 3.87Å
711V90Very high87.4Confident80 Ų80112.3 Ų112.349%0.48557%0.57SS.*EExtended strand (participates in β ladder)trans-130.7137-176-174.30000109.1R716V711-R716 WeakPolarHBondContact CA-O 3.36Å
712D86.3Confident87.6Confident38 Ų38106.4 Ų106.420%0.20354%0.542CS..  trans-80.8173.8176.9-151.41.8000112L714 G715 R716 L718 Q726D712-L714 PolarHBondContact O-N 3.06Å; D712-G715 PolarHBondContact O-N 2.91Å; D712-R716 PolarHBondContact N-O 3.35Å; D712-L718 HydrophobicContact CB-CD1 4.42Å; D712-Q726 PolarHBondContact OD1-NE2 3.28Å
713E84.5Confident87.9Confident180 Ų18098.5 Ų98.584%0.84151%0.512SS*.THydrogen-bonded Turntrans-55.7-24.1180-64.5173.9-171.500113.9
714L82.8Confident88.2Confident113 Ų11396.5 Ų96.559%0.59250%0.503SS*.THydrogen-bonded Turntrans-92.38.9179.2-58.6175.7000113.4D712 R716 I748D712-L714 PolarHBondContact O-N 3.06Å; L714-R716 VanDerWaalsContact C-N 3.3Å; L714-R716 PolarHBondContact O-N 2.75Å; L714-I748 HydrophobicContact CD1-CG2 4.32Å
715G85.1Confident88.2Confident55 Ų5596.5 Ų96.557%0.56750%0.496SS*.SBendtrans75.316.1179.900000114.3D712D712-G715 PolarHBondContact O-N 2.91Å
716R84.9Confident88.3Confident81 Ų8193 Ų9331%0.30648%0.475SS..PPolyproline II helixtrans-90.1130.6179180-173.3133.6168.5-6.8110.9V711 D712 L714 L718 E722 E751V711-R716 WeakPolarHBondContact CA-O 3.36Å; D712-R716 PolarHBondContact N-O 3.35Å; L714-R716 VanDerWaalsContact C-N 3.3Å; L714-R716 PolarHBondContact O-N 2.75Å; R716-L718 PolarHBondContact O-N 3.33Å; R716-E722 IonicContact NH2-OE1 2.6Å; R716-E722 IonicContact NH2-OE2 3.5Å; R716-E722 PolarHBondContact NH2-OE2 2.97Å; R716-E751 IonicContact NH1-OE2 2.92Å; R716-E751 PolarHBondContact NH1-OE2 3.33Å
717D88Confident88.3Confident111 Ų11190.8 Ų90.859%0.59446%0.464SS*.EExtended strand (participates in β ladder)trans-60.2123.2171.5-55.6-34.2000110.9Y710Y710-D717 CarbonylContact O-C 3.59Å; Y710-D717 WeakPolarHBondContact O-CA 3.3Å
718L87.2Confident88.5Confident13 Ų1384.4 Ų84.47%0.06844%0.44CS..EExtended strand (participates in β ladder)trans-96.9124.3-171.5-161.465.8000108.3Y710 D712 R716 E722 A723 Q726Y710-L718 VanDerWaalsContact O-CB 3.31Å; Y710-L718 WeakPolarHBondContact O-CB 3.07Å; Y710-L718 PolarHBondContact O-N 2.9Å; D712-L718 HydrophobicContact CB-CD1 4.42Å; R716-L718 PolarHBondContact O-N 3.33Å; L718-E722 HydrophobicContact CD1-CB 3.36Å; L718-E722 HydrophobicContact CD1-CG 4.32Å; L718-E722 HydrophobicContact CD2-CB 4.24Å; L718-E722 HydrophobicContact CG-CB 3.44Å; L718-E722 VanDerWaalsContact CG-CB 3.44Å; L718-A723 VanDerWaalsContact CD2-CA 3.48Å; L718-A723 HydrophobicContact CD2-CB 4.14Å; L718-A723 HydrophobicContact CG-CB 4.43Å; L718-Q726 HydrophobicContact CD2-CB 4.21Å
719S89.6Confident88.6Confident74 Ų7481.7 Ų81.752%0.51742%0.424SS..PPolyproline II helixtrans-58.8150.8176.9175.70000110.7K721 E722 A723S719-K721 PolarHBondContact O-N 2.82Å; S719-E722 CarbonylContact O-C 3.59Å; S719-E722 VanDerWaalsContact O-CA 3.3Å; S719-E722 WeakPolarHBondContact O-CA 3.27Å; S719-E722 WeakPolarHBondContact O-CB 3Å; S719-E722 PolarHBondContact O-N 2.83Å; S719-A723 PolarHBondContact O-N 3.4Å
720A89.8Confident88.6Confident81 Ų8182.8 Ų82.867%0.66943%0.426SS*.Hα-helixtrans-49-38.2179.800000114.1F724A720-F724 WeakPolarHBondContact O-CB 3.44Å; A720-F724 PolarHBondContact O-N 3.49Å
721K89.3Confident88.7Confident166 Ų16685.7 Ų85.772%0.72244%0.441SS*.Hα-helixtrans-70.3-33.8175.1173.3172.1-91.4-1620112.5S719 R725S719-K721 PolarHBondContact O-N 2.82Å; K721-R725 VanDerWaalsContact O-CB 3.26Å; K721-R725 WeakPolarHBondContact O-CB 3.46Å; K721-R725 PolarHBondContact O-N 2.86Å; K721-R725 VanDerWaalsContact O-N 3.17Å
722E88.8Confident88.9Confident49 Ų4986.4 Ų86.423%0.22944%0.439CS..Hα-helixtrans-73.5-41.9176.6-59-167.6126.400111.6R716 L718 S719 R725 Q726R716-E722 IonicContact NH2-OE1 2.6Å; R716-E722 IonicContact NH2-OE2 3.5Å; R716-E722 PolarHBondContact NH2-OE2 2.97Å; L718-E722 HydrophobicContact CD1-CB 3.36Å; L718-E722 HydrophobicContact CD1-CG 4.32Å; L718-E722 HydrophobicContact CD2-CB 4.24Å; L718-E722 HydrophobicContact CG-CB 3.44Å; L718-E722 VanDerWaalsContact CG-CB 3.44Å; S719-E722 CarbonylContact O-C 3.59Å; S719-E722 VanDerWaalsContact O-CA 3.3Å; S719-E722 WeakPolarHBondContact O-CA 3.27Å; S719-E722 WeakPolarHBondContact O-CB 3Å; S719-E722 PolarHBondContact O-N 2.83Å; E722-R725 PolarHBondContact O-N 3.09Å; E722-R725 IonicContact OE1-NH2 3.53Å; E722-Q726 PolarHBondContact O-N 3.14Å
723A91.3Very high89.1Confident3 Ų387.9 Ų87.93%0.02546%0.463CS..Hα-helixtrans-59.2-52.9172.800000111.9Y710 L718 S719 R725 Q726 L727Y710-A723 HydrophobicContact CD1-CB 4.12Å; Y710-A723 HydrophobicContact CD2-CB 3.33Å; Y710-A723 HydrophobicContact CE2-CB 4Å; Y710-A723 HydrophobicContact CG-CB 3.4Å; L718-A723 VanDerWaalsContact CD2-CA 3.48Å; L718-A723 HydrophobicContact CD2-CB 4.14Å; L718-A723 HydrophobicContact CG-CB 4.43Å; S719-A723 PolarHBondContact O-N 3.4Å; A723-R725 PolarHBondContact O-N 2.72Å; A723-Q726 PolarHBondContact O-N 2.77Å; A723-Q726 VanDerWaalsContact O-N 3.14Å; A723-L727 WeakPolarHBondContact O-CB 3.49Å; A723-L727 WeakPolarHBondContact O-CG 3.09Å; A723-L727 PolarHBondContact O-N 3.35Å
724F91.8Very high89.2Confident148 Ų14886.3 Ų86.365%0.64945%0.453SS*.Hα-helixtrans-56.5-41.3175.8174.8-101.2000111.8A720 S728A720-F724 WeakPolarHBondContact O-CB 3.44Å; A720-F724 PolarHBondContact O-N 3.49Å; F724-S728 WeakPolarHBondContact O-CB 3.47Å; F724-S728 PolarHBondContact O-N 3.48Å
725R89.9Confident89.3Confident60 Ų6083.5 Ų83.523%0.22645%0.452CS..Hα-helixtrans-68-40.2179.1-175.9-172.460.3-1122.2112K721 E722 A723 S728 H729K721-R725 VanDerWaalsContact O-CB 3.26Å; K721-R725 WeakPolarHBondContact O-CB 3.46Å; K721-R725 PolarHBondContact O-N 2.86Å; K721-R725 VanDerWaalsContact O-N 3.17Å; E722-R725 PolarHBondContact O-N 3.09Å; E722-R725 IonicContact OE1-NH2 3.53Å; A723-R725 PolarHBondContact O-N 2.72Å; R725-S728 PolarHBondContact O-N 3.05Å; R725-H729 WeakPolarHBondContact O-CB 3.32Å; R725-H729 PolarHBondContact O-CD2 3.06Å; R725-H729 PolarHBondContact O-N 3.48Å
726Q88.5Confident89.3Confident66 Ų6682.3 Ų82.331%0.30843%0.434SS..Hα-helixtrans-66.8-44.3176.9-166.4162.551.700110.9D712 L718 E722 A723 S728 H729 K730D712-Q726 PolarHBondContact OD1-NE2 3.28Å; L718-Q726 HydrophobicContact CD2-CB 4.21Å; E722-Q726 PolarHBondContact O-N 3.14Å; A723-Q726 PolarHBondContact O-N 2.77Å; A723-Q726 VanDerWaalsContact O-N 3.14Å; Q726-S728 PolarHBondContact O-N 2.97Å; Q726-H729 PolarHBondContact O-N 2.81Å; Q726-K730 WeakPolarHBondContact O-CG 3.14Å; Q726-K730 PolarHBondContact O-N 2.93Å
727L89.7Confident89.3Confident78 Ų7880.6 Ų80.641%0.40844%0.443SS..Hα-helixtrans-60.7-42.5172.6-67.8175.1000112.1Y710 A723 K730 F731Y710-L727 HydrophobicContact CE1-CD1 3.87Å; A723-L727 WeakPolarHBondContact O-CB 3.49Å; A723-L727 WeakPolarHBondContact O-CG 3.09Å; A723-L727 PolarHBondContact O-N 3.35Å; L727-K730 PolarHBondContact O-N 2.89Å; L727-F731 WeakPolarHBondContact O-CB 3.4Å; L727-F731 PolarHBondContact O-N 3.23Å
728S91.5Very high89.2Confident29 Ų2983.9 Ų83.920%0.20345%0.451CS..Hα-helixtrans-64.8-40.4177.51790000112F724 R725 Q726 F731 H732F724-S728 WeakPolarHBondContact O-CB 3.47Å; F724-S728 PolarHBondContact O-N 3.48Å; R725-S728 PolarHBondContact O-N 3.05Å; Q726-S728 PolarHBondContact O-N 2.97Å; S728-F731 PolarHBondContact O-N 2.83Å; S728-H732 WeakPolarHBondContact O-CB 3.32Å; S728-H732 PolarHBondContact O-N 3.41Å; S728-H732 PolarHBondContact O-ND1 3.13Å; S728-H732 PolarHBondContact OG-CE1 3.36Å; S728-H732 PolarHBondContact OG-ND1 2.97Å; S728-H732 VanDerWaalsContact OG-ND1 3.08Å
729H89.4Confident89.3Confident60 Ų6089 Ų8928%0.27848%0.479SS..Hα-helixtrans-66-40.3173.8-68.5177.4000111.7R725 Q726 G733 K734 S736R725-H729 WeakPolarHBondContact O-CB 3.32Å; R725-H729 PolarHBondContact O-CD2 3.06Å; R725-H729 PolarHBondContact O-N 3.48Å; Q726-H729 PolarHBondContact O-N 2.81Å; H729-G733 WeakPolarHBondContact O-CA 3.49Å; H729-G733 PolarHBondContact O-N 3.34Å; H729-K734 PolarHBondContact CD2-O 3.09Å; H729-S736 PolarHBondContact CE1-N 3.18Å
730K89.9Confident89.4Confident166 Ų16692.2 Ų92.272%0.72248%0.483SS*.Hα-helixtrans-62.7-41.6174.9-72.6178.870.8172.80111.7Q726 L727Q726-K730 WeakPolarHBondContact O-CG 3.14Å; Q726-K730 PolarHBondContact O-N 2.93Å; L727-K730 PolarHBondContact O-N 2.89Å
731F94.3Very high89.3Confident149 Ų14991.3 Ų91.365%0.65447%0.47SS*.Hα-helixtrans-74.1-44.5-178.6-178.5-100.2000113L727 S728L727-F731 WeakPolarHBondContact O-CB 3.4Å; L727-F731 PolarHBondContact O-N 3.23Å; S728-F731 PolarHBondContact O-N 2.83Å
732H95.3Very high89.3Confident95 Ų9590 Ų9044%0.4447%0.466SS..Hα-helixtrans-89.3-8.9-176-62.8102.4000114.2S728 K734S728-H732 WeakPolarHBondContact O-CB 3.32Å; S728-H732 PolarHBondContact O-N 3.41Å; S728-H732 PolarHBondContact O-ND1 3.13Å; S728-H732 PolarHBondContact OG-CE1 3.36Å; S728-H732 PolarHBondContact OG-ND1 2.97Å; S728-H732 VanDerWaalsContact OG-ND1 3.08Å; H732-K734 HydrophobicContact CB-CB 4.35Å; H732-K734 PolarHBondContact O-N 2.94Å
733G89.3Confident89.5Confident68 Ų6895.3 Ų95.370%0.70149%0.488SS*.  trans65.60.6-171.300000114.6H729 G735H729-G733 WeakPolarHBondContact O-CA 3.49Å; H729-G733 PolarHBondContact O-N 3.34Å; G733-G735 PolarHBondContact O-N 2.91Å
734K87.2Confident89.3Confident147 Ų147100.3 Ų100.364%0.63951%0.507SS*.  trans-94.885.9-176.3-71.2-176.1-77.3-79.50110H729 H732H729-K734 PolarHBondContact CD2-O 3.09Å; H732-K734 HydrophobicContact CB-CB 4.35Å; H732-K734 PolarHBondContact O-N 2.94Å
735G84Confident89Confident54 Ų5497.4 Ų97.456%0.55750%0.496SS*.PPolyproline II helixtrans-72.4158.6175.600000113.3G733G733-G735 PolarHBondContact O-N 2.91Å
736S84.7Confident89Confident30 Ų30101.7 Ų101.721%0.2152%0.517CS..PPolyproline II helixtrans-62.8137.7166173.70000109.7H729 K740 T741H729-S736 PolarHBondContact CE1-N 3.18Å; S736-K740 WeakPolarHBondContact OG-CB 3.25Å; S736-T741 WeakPolarHBondContact O-CG2 3.42Å
737G85.4Confident89Confident46 Ų46105.5 Ų105.547%0.47453%0.532SS..PPolyproline II helixtrans-58153.817900000113.9N739 K740 T741G737-N739 VanDerWaalsContact C-N 3.31Å; G737-N739 PolarHBondContact O-N 3.23Å; G737-K740 WeakPolarHBondContact O-CA 3.43Å; G737-K740 WeakPolarHBondContact O-CB 3.49Å; G737-K740 PolarHBondContact O-N 3.48Å; G737-T741 PolarHBondContact O-N 2.86Å
738K86.9Confident88.9Confident179 Ų179103.4 Ų103.478%0.77852%0.521SS*.Hα-helixtrans-50.9-42.3-173.5-63.2-179.6-179.4179.20113.8K740 T741 Q742K738-K740 VanDerWaalsContact C-N 3.32Å; K738-K740 PolarHBondContact O-N 3.48Å; K738-T741 WeakPolarHBondContact CA-OG1 3.37Å; K738-T741 PolarHBondContact O-N 3.15Å; K738-T741 PolarHBondContact O-OG1 3.27Å; K738-Q742 WeakPolarHBondContact O-CB 3.41Å; K738-Q742 PolarHBondContact O-N 3.24Å
739N89.6Confident88.6Confident120 Ų120106.7 Ų106.764%0.64254%0.536SS*.Hα-helixtrans-66.8-34.3179.1-67.31.8000112.5G737 K743G737-N739 VanDerWaalsContact C-N 3.31Å; G737-N739 PolarHBondContact O-N 3.23Å; N739-K743 WeakPolarHBondContact O-CB 3.31Å; N739-K743 VanDerWaalsContact O-CG 3.27Å; N739-K743 WeakPolarHBondContact O-CG 3.21Å; N739-K743 PolarHBondContact O-N 2.72Å; N739-K743 VanDerWaalsContact O-N 3.13Å
740K91.6Very high88.4Confident142 Ų142110.1 Ų110.162%0.61755%0.552SS**Hα-helixtrans-74.9-38.7177.5-72.1-177.7-177.5177.50110.9S736 G737 K738 R744S736-K740 WeakPolarHBondContact OG-CB 3.25Å; G737-K740 WeakPolarHBondContact O-CA 3.43Å; G737-K740 WeakPolarHBondContact O-CB 3.49Å; G737-K740 PolarHBondContact O-N 3.48Å; K738-K740 VanDerWaalsContact C-N 3.32Å; K738-K740 PolarHBondContact O-N 3.48Å; K740-R744 WeakPolarHBondContact O-CG 3.45Å; K740-R744 PolarHBondContact O-N 2.74Å; K740-R744 VanDerWaalsContact O-N 3.13Å
741T87.1Confident88.2Confident63 Ų63106.9 Ų106.939%0.38754%0.54SS..Hα-helixtrans-66.9-44.5175.555.90000110.8S736 G737 K738 K743 R744 M745S736-T741 WeakPolarHBondContact O-CG2 3.42Å; G737-T741 PolarHBondContact O-N 2.86Å; K738-T741 WeakPolarHBondContact CA-OG1 3.37Å; K738-T741 PolarHBondContact O-N 3.15Å; K738-T741 PolarHBondContact O-OG1 3.27Å; T741-K743 PolarHBondContact O-N 3.33Å; T741-R744 WeakPolarHBondContact O-CB 3.36Å; T741-R744 PolarHBondContact O-N 3.39Å; T741-M745 WeakPolarHBondContact O-CG 3.23Å; T741-M745 PolarHBondContact O-N 3.21Å
742Q89.2Confident87.7Confident139 Ų139106.8 Ų106.865%0.6554%0.539SS*.Hα-helixtrans-60.7-41.8176.5-169.6-179.41.400112.5K738 R744 M745 K746K738-Q742 WeakPolarHBondContact O-CB 3.41Å; K738-Q742 PolarHBondContact O-N 3.24Å; Q742-R744 VanDerWaalsContact C-N 3.3Å; Q742-R744 PolarHBondContact O-N 3.18Å; Q742-M745 PolarHBondContact O-N 2.88Å; Q742-K746 WeakPolarHBondContact O-CB 3.41Å; Q742-K746 PolarHBondContact O-N 3.08Å
743K93.8Very high86.9Confident159 Ų159108 Ų10869%0.69155%0.549SS*.Hα-helixtrans-61.5-37.4173.6-77178.9-178.8-172.80112.5N739 T741 K747N739-K743 WeakPolarHBondContact O-CB 3.31Å; N739-K743 VanDerWaalsContact O-CG 3.27Å; N739-K743 WeakPolarHBondContact O-CG 3.21Å; N739-K743 PolarHBondContact O-N 2.72Å; N739-K743 VanDerWaalsContact O-N 3.13Å; T741-K743 PolarHBondContact O-N 3.33Å; K743-K747 PolarHBondContact O-N 2.94Å
744R86.4Confident86.2Confident108 Ų108109.8 Ų109.841%0.40854%0.542SS..Hα-helixtrans-70.8-45.3176.4-73.1176.8-177-160.51.4112K740 T741 Q742 K746 K747 I748K740-R744 WeakPolarHBondContact O-CG 3.45Å; K740-R744 PolarHBondContact O-N 2.74Å; K740-R744 VanDerWaalsContact O-N 3.13Å; T741-R744 WeakPolarHBondContact O-CB 3.36Å; T741-R744 PolarHBondContact O-N 3.39Å; Q742-R744 VanDerWaalsContact C-N 3.3Å; Q742-R744 PolarHBondContact O-N 3.18Å; R744-K746 VanDerWaalsContact C-N 3.27Å; R744-K746 PolarHBondContact O-N 3.4Å; R744-K747 WeakPolarHBondContact O-CB 3.35Å; R744-K747 PolarHBondContact O-N 3.28Å; R744-K747 VanDerWaalsContact O-N 3.1Å; R744-I748 VanDerWaalsContact O-CG1 3.3Å; R744-I748 WeakPolarHBondContact O-CG1 3.02Å; R744-I748 PolarHBondContact O-N 3.37Å
745M86.1Confident85.7Confident88 Ų88111.6 Ų111.643%0.43355%0.549SS..Hα-helixtrans-60.3-40175.1-63.8-56.6-97.500111T741 Q742 K747 I748 N749T741-M745 WeakPolarHBondContact O-CG 3.23Å; T741-M745 PolarHBondContact O-N 3.21Å; Q742-M745 PolarHBondContact O-N 2.88Å; M745-K747 PolarHBondContact O-N 2.89Å; M745-I748 PolarHBondContact O-N 2.88Å; M745-I748 HydrophobicContact SD-CD1 4.29Å; M745-N749 WeakPolarHBondContact O-CB 3.47Å; M745-N749 VanDerWaalsContact O-CG 3.27Å; M745-N749 PolarHBondContact O-N 2.79Å; M745-N749 PolarHBondContact O-OD1 2.9Å
746K90.1Very high85.5Confident149 Ų149112.2 Ų112.265%0.64855%0.549SS*.Hα-helixtrans-60-46.1172.9-174.4177.6179.2179.90111.8Q742 R744 N749 E750Q742-K746 WeakPolarHBondContact O-CB 3.41Å; Q742-K746 PolarHBondContact O-N 3.08Å; R744-K746 VanDerWaalsContact C-N 3.27Å; R744-K746 PolarHBondContact O-N 3.4Å; K746-N749 PolarHBondContact O-N 3.4Å; K746-E750 WeakPolarHBondContact O-CB 3.48Å; K746-E750 PolarHBondContact O-N 3.13Å
747K88.6Confident84.9Confident146 Ų146112.5 Ų112.564%0.63555%0.552SS**Hα-helixtrans-62.8-41.3176.9-175177.1179.7-178.80112.1K743 R744 M745 E750 E751K743-K747 PolarHBondContact O-N 2.94Å; R744-K747 WeakPolarHBondContact O-CB 3.35Å; R744-K747 PolarHBondContact O-N 3.28Å; R744-K747 VanDerWaalsContact O-N 3.1Å; M745-K747 PolarHBondContact O-N 2.89Å; K747-E750 PolarHBondContact O-N 2.89Å; K747-E751 WeakPolarHBondContact O-CB 3.46Å; K747-E751 PolarHBondContact O-N 2.75Å
748I86.8Confident84.1Confident35 Ų35115.2 Ų115.218%0.17956%0.559CS.*Hα-helixtrans-64.5-43.3177.1-68.4163.3000110.3L714 R744 M745 E751 F752L714-I748 HydrophobicContact CD1-CG2 4.32Å; R744-I748 VanDerWaalsContact O-CG1 3.3Å; R744-I748 WeakPolarHBondContact O-CG1 3.02Å; R744-I748 PolarHBondContact O-N 3.37Å; M745-I748 PolarHBondContact O-N 2.88Å; M745-I748 HydrophobicContact SD-CD1 4.29Å; I748-E751 PolarHBondContact O-N 2.99Å; I748-F752 VanDerWaalsContact O-CB 3.27Å; I748-F752 WeakPolarHBondContact O-CB 3.4Å; I748-F752 PolarHBondContact O-N 3.45Å
749N85.7Confident82.9Confident98 Ų98111.5 Ų111.552%0.52456%0.555SS.*Hα-helixtrans-66-39.6177.2-73.1-3.3000112.2M745 K746 F752 L753M745-N749 WeakPolarHBondContact O-CB 3.47Å; M745-N749 VanDerWaalsContact O-CG 3.27Å; M745-N749 PolarHBondContact O-N 2.79Å; M745-N749 PolarHBondContact O-OD1 2.9Å; K746-N749 PolarHBondContact O-N 3.4Å; N749-F752 PolarHBondContact O-N 2.73Å; N749-L753 VanDerWaalsContact O-CB 3.26Å; N749-L753 WeakPolarHBondContact O-CB 3.31Å; N749-L753 PolarHBondContact O-N 3.2Å
750E85.4Confident81.7Confident131 Ų131108.3 Ų108.361%0.61254%0.542SS*.Hα-helixtrans-64.2-43.6174.5-175.2-179.7178.300111.3K746 K747 L753 L754K746-E750 WeakPolarHBondContact O-CB 3.48Å; K746-E750 PolarHBondContact O-N 3.13Å; K747-E750 PolarHBondContact O-N 2.89Å; E750-L753 PolarHBondContact O-N 3.22Å; E750-L754 VanDerWaalsContact O-CB 3.27Å; E750-L754 WeakPolarHBondContact O-CB 3.3Å; E750-L754 PolarHBondContact O-N 3.01Å
751E84.5Confident80.2Confident99 Ų99107 Ų10746%0.46354%0.543SS..Hα-helixtrans-63.6-43.2174.8-174.6-175.5172.600111.7R716 K747 I748 L754 K755R716-E751 IonicContact NH1-OE2 2.92Å; R716-E751 PolarHBondContact NH1-OE2 3.33Å; K747-E751 WeakPolarHBondContact O-CB 3.46Å; K747-E751 PolarHBondContact O-N 2.75Å; I748-E751 PolarHBondContact O-N 2.99Å; E751-L754 PolarHBondContact O-N 2.9Å; E751-K755 VanDerWaalsContact O-CB 3.31Å; E751-K755 WeakPolarHBondContact O-CB 3.36Å; E751-K755 PolarHBondContact O-N 2.77Å
752F84.2Confident79.2Confident146 Ų146105.9 Ų105.964%0.6454%0.536SS*.Hα-helixtrans-62.7-46.6176.3177.4-95.8000111.3I748 N749 L754 K755 A756I748-F752 VanDerWaalsContact O-CB 3.27Å; I748-F752 WeakPolarHBondContact O-CB 3.4Å; I748-F752 PolarHBondContact O-N 3.45Å; N749-F752 PolarHBondContact O-N 2.73Å; F752-L754 VanDerWaalsContact C-N 3.34Å; F752-L754 PolarHBondContact O-N 3.19Å; F752-K755 PolarHBondContact O-N 2.8Å; F752-A756 VanDerWaalsContact O-CB 3.3Å; F752-A756 WeakPolarHBondContact O-CB 3.41Å; F752-A756 PolarHBondContact O-N 3.07Å
753L79.2Confident78.2Confident122 Ų122105.7 Ų105.764%0.63955%0.546SS*.Hα-helixtrans-63.1-42.1177.3-173.964.9000111.1N749 E750 K755 A756 S757N749-L753 VanDerWaalsContact O-CB 3.26Å; N749-L753 WeakPolarHBondContact O-CB 3.31Å; N749-L753 PolarHBondContact O-N 3.2Å; E750-L753 PolarHBondContact O-N 3.22Å; L753-K755 VanDerWaalsContact C-N 3.33Å; L753-K755 PolarHBondContact O-N 3.36Å; L753-A756 PolarHBondContact O-N 2.88Å; L753-S757 WeakPolarHBondContact O-CB 3.04Å; L753-S757 PolarHBondContact O-N 3.34Å; L753-S757 PolarHBondContact O-OG 3.34Å
754L74.1Confident77.1Confident105 Ų105103.7 Ų103.755%0.5554%0.543SS..Hα-helixtrans-64.8-37.6176-173.967.4000111.9E750 E751 F752 S757E750-L754 VanDerWaalsContact O-CB 3.27Å; E750-L754 WeakPolarHBondContact O-CB 3.3Å; E750-L754 PolarHBondContact O-N 3.01Å; E751-L754 PolarHBondContact O-N 2.9Å; F752-L754 VanDerWaalsContact C-N 3.34Å; F752-L754 PolarHBondContact O-N 3.19Å; L754-S757 WeakPolarHBondContact CA-OG 3.49Å; L754-S757 PolarHBondContact O-OG 3.15Å
755K77.5Confident76.5Confident184 Ų18499.5 Ų99.580%0.853%0.533SS*.Hα-helixtrans-71.1-33.9175.7-173.2176.7179-176.40112.2E751 F752 L753E751-K755 VanDerWaalsContact O-CB 3.31Å; E751-K755 WeakPolarHBondContact O-CB 3.36Å; E751-K755 PolarHBondContact O-N 2.77Å; F752-K755 PolarHBondContact O-N 2.8Å; L753-K755 VanDerWaalsContact C-N 3.33Å; L753-K755 PolarHBondContact O-N 3.36Å
756A78.5Confident76Confident67 Ų6798.3 Ų98.355%0.55453%0.531SS*.Hα-helixtrans-77.4-31.1176.300000112.3F752 L753 T758F752-A756 VanDerWaalsContact O-CB 3.3Å; F752-A756 WeakPolarHBondContact O-CB 3.41Å; F752-A756 PolarHBondContact O-N 3.07Å; L753-A756 PolarHBondContact O-N 2.88Å; A756-T758 PolarHBondContact O-N 3.36Å
757S73.1Confident75.4Confident37 Ų3793.2 Ų93.226%0.25951%0.512SS..SBendtrans-62.3131174.566.80000109.6L753 L754 S759L753-S757 WeakPolarHBondContact O-CB 3.04Å; L753-S757 PolarHBondContact O-N 3.34Å; L753-S757 PolarHBondContact O-OG 3.34Å; L754-S757 WeakPolarHBondContact CA-OG 3.49Å; L754-S757 PolarHBondContact O-OG 3.15Å; S757-S759 PolarHBondContact O-N 2.86Å
758T67.1Low75.2Confident103 Ų10390.6 Ų90.663%0.63251%0.505SS*.  trans-57.2139.9174.4-68.20000109.2A756 S760 D761A756-T758 PolarHBondContact O-N 3.36Å; T758-S760 VanDerWaalsContact CG2-OG 3.3Å; T758-S760 WeakPolarHBondContact CG2-OG 3.49Å; T758-S760 PolarHBondContact O-N 2.78Å; T758-D761 PolarHBondContact O-N 2.88Å
759S61.5Low75Confident100 Ų10094.9 Ų94.970%0.69952%0.522SS*.THydrogen-bonded Turntrans-48-21.9-178.6-52.50000114.9S757 V767S757-S759 PolarHBondContact O-N 2.86Å; S759-V767 WeakPolarHBondContact O-CG2 3.32Å
760S65.5Low75Confident53 Ų5393.6 Ų93.637%0.37152%0.515SS..THydrogen-bonded Turntrans-67.8-29.317653.70000114.5T758 T762T758-S760 VanDerWaalsContact CG2-OG 3.3Å; T758-S760 WeakPolarHBondContact CG2-OG 3.49Å; T758-S760 PolarHBondContact O-N 2.78Å; S760-T762 PolarHBondContact O-N 3.3Å
761D59.4Low74.9Confident116 Ų11690.7 Ų90.762%0.6250%0.504SS*.  trans-103.157.5-170.3-165.626.2000112.1T758T758-D761 PolarHBondContact O-N 2.88Å
762T67.4Low75.1Confident39 Ų3993 Ų9324%0.23951%0.512CS..  trans-78.6141.9162.158.60000108S760 L764 G765 T766S760-T762 PolarHBondContact O-N 3.3Å; T762-L764 PolarHBondContact O-N 3.05Å; T762-G765 WeakPolarHBondContact O-CA 3.46Å; T762-G765 PolarHBondContact O-N 3.03Å; T762-G765 PolarHBondContact OG1-N 2.91Å; T762-T766 PolarHBondContact OG1-N 3.48Å; T762-T766 VanDerWaalsContact OG1-N 3.08Å; T762-T766 PolarHBondContact OG1-OG1 2.81Å
763P67.8Low75.2Confident135 Ų13592.4 Ų92.488%0.87751%0.509SS*.THydrogen-bonded Turntrans-59.1-20.6178.418.7-29.7000113.2G765P763-G765 VanDerWaalsContact C-N 3.34Å
764L71Confident75.7Confident117 Ų11788.1 Ų88.161%0.61349%0.487SS*.THydrogen-bonded Turntrans-84.8-7174.2-172.958.8000113.5T762 T766 K769T762-L764 PolarHBondContact O-N 3.05Å; L764-T766 HydrophobicContact CB-CG2 3.98Å; L764-T766 HydrophobicContact CD2-CG2 3.73Å; L764-T766 HydrophobicContact CG-CG2 3.84Å; L764-T766 PolarHBondContact O-N 3.4Å; L764-K769 PolarHBondContact O-NZ 2.98Å
765G72.9Confident76.4Confident20 Ų2090 Ų9021%0.20649%0.493CS..  trans58.434.6-177.200000112.6T762 P763 V767 N768 K769T762-G765 WeakPolarHBondContact O-CA 3.46Å; T762-G765 PolarHBondContact O-N 3.03Å; T762-G765 PolarHBondContact OG1-N 2.91Å; P763-G765 VanDerWaalsContact C-N 3.34Å; G765-V767 VanDerWaalsContact C-N 3.31Å; G765-V767 PolarHBondContact O-N 3.38Å; G765-N768 PolarHBondContact O-N 3.11Å; G765-K769 WeakPolarHBondContact O-CG 3.46Å; G765-K769 PolarHBondContact O-N 3.15Å
766T75.4Confident77.1Confident63 Ų6385.5 Ų85.539%0.38749%0.49SS..Hα-helixtrans-61.1-39.6-171.649.50000112.3T762 L764 K769 L770T762-T766 PolarHBondContact OG1-N 3.48Å; T762-T766 VanDerWaalsContact OG1-N 3.08Å; T762-T766 PolarHBondContact OG1-OG1 2.81Å; L764-T766 HydrophobicContact CB-CG2 3.98Å; L764-T766 HydrophobicContact CD2-CG2 3.73Å; L764-T766 HydrophobicContact CG-CG2 3.84Å; L764-T766 PolarHBondContact O-N 3.4Å; T766-K769 PolarHBondContact O-N 3.12Å; T766-L770 WeakPolarHBondContact O-CB 3.3Å; T766-L770 PolarHBondContact O-N 3.04Å
767V78.6Confident77.6Confident41 Ų4187.5 Ų87.525%0.24849%0.489CS..Hα-helixtrans-66.1-42.5177.2171.20000111.4S759 G765 K769 L770 N771S759-V767 WeakPolarHBondContact O-CG2 3.32Å; G765-V767 VanDerWaalsContact C-N 3.31Å; G765-V767 PolarHBondContact O-N 3.38Å; V767-K769 VanDerWaalsContact C-N 3.32Å; V767-K769 PolarHBondContact O-N 2.96Å; V767-L770 WeakPolarHBondContact O-CB 3.43Å; V767-L770 PolarHBondContact O-N 3.2Å; V767-L770 VanDerWaalsContact O-N 3.15Å; V767-N771 WeakPolarHBondContact O-CB 3.37Å; V767-N771 VanDerWaalsContact O-CG 3.29Å; V767-N771 PolarHBondContact O-N 3.01Å
768N82.7Confident78.4Confident91 Ų9190.7 Ų90.749%0.48751%0.511SS..Hα-helixtrans-63.6-38.9175.9-71.212.8000111.6G765 L770 N771 K772G765-N768 PolarHBondContact O-N 3.11Å; N768-L770 VanDerWaalsContact C-N 3.34Å; N768-N771 PolarHBondContact O-N 3.33Å; N768-K772 WeakPolarHBondContact O-CB 3.38Å; N768-K772 VanDerWaalsContact O-CG 3.32Å; N768-K772 WeakPolarHBondContact O-CG 3.49Å; N768-K772 PolarHBondContact O-N 3.08Å
769K84.3Confident79.3Confident126 Ų12690.3 Ų90.355%0.54850%0.503SS..Hα-helixtrans-64.5-38.8173.8-71.8170.7179.21600112L764 G765 T766 V767 K773L764-K769 PolarHBondContact O-NZ 2.98Å; G765-K769 WeakPolarHBondContact O-CG 3.46Å; G765-K769 PolarHBondContact O-N 3.15Å; T766-K769 PolarHBondContact O-N 3.12Å; V767-K769 VanDerWaalsContact C-N 3.32Å; V767-K769 PolarHBondContact O-N 2.96Å; K769-K773 PolarHBondContact O-N 3.1Å; K769-K773 VanDerWaalsContact O-N 3.12Å
770L84Confident80.4Confident71 Ų7191.3 Ų91.337%0.37251%0.507SS..Hα-helixtrans-65.1-49.7176.1-168.2161.5000110.5T766 V767 N768 K772 K773 L774 V782T766-L770 WeakPolarHBondContact O-CB 3.3Å; T766-L770 PolarHBondContact O-N 3.04Å; V767-L770 WeakPolarHBondContact O-CB 3.43Å; V767-L770 PolarHBondContact O-N 3.2Å; V767-L770 VanDerWaalsContact O-N 3.15Å; N768-L770 VanDerWaalsContact C-N 3.34Å; L770-K772 VanDerWaalsContact C-N 3.35Å; L770-K772 PolarHBondContact O-N 3.41Å; L770-K773 CarbonylContact O-C 3.51Å; L770-K773 WeakPolarHBondContact O-CA 3.31Å; L770-K773 WeakPolarHBondContact O-CB 3.47Å; L770-K773 PolarHBondContact O-N 3.47Å; L770-L774 HydrophobicContact CD2-CD1 3.32Å; L770-L774 HydrophobicContact CD2-CG 3.65Å; L770-L774 PolarHBondContact O-N 2.86Å; L770-V782 HydrophobicContact CD1-CG2 4.11Å; L770-V782 HydrophobicContact CD2-CG2 3.38Å; L770-V782 HydrophobicContact CG-CG2 4.21Å
771N84.9Confident81.4Confident70 Ų7095.5 Ų95.537%0.37452%0.516SS..Hα-helixtrans-59.3-45.7179.2-70.6-11.1000110.8V767 N768 K773 L774 E775V767-N771 WeakPolarHBondContact O-CB 3.37Å; V767-N771 VanDerWaalsContact O-CG 3.29Å; V767-N771 PolarHBondContact O-N 3.01Å; N768-N771 PolarHBondContact O-N 3.33Å; N771-K773 VanDerWaalsContact C-N 3.27Å; N771-K773 PolarHBondContact O-N 3.03Å; N771-L774 WeakPolarHBondContact O-CB 3.49Å; N771-L774 PolarHBondContact O-N 2.99Å; N771-L774 VanDerWaalsContact O-N 3.13Å; N771-E775 WeakPolarHBondContact O-CB 3.31Å; N771-E775 VanDerWaalsContact O-CG 3.31Å; N771-E775 WeakPolarHBondContact O-CG 3.37Å; N771-E775 PolarHBondContact O-N 3.04Å
772K87.4Confident82.7Confident146 Ų14693.2 Ų93.264%0.63551%0.506SS*.Hα-helixtrans-57.6-37.4173.4-75.6179.7179.9-174.10113.1N768 L770 A776N768-K772 WeakPolarHBondContact O-CB 3.38Å; N768-K772 VanDerWaalsContact O-CG 3.32Å; N768-K772 WeakPolarHBondContact O-CG 3.49Å; N768-K772 PolarHBondContact O-N 3.08Å; L770-K772 VanDerWaalsContact C-N 3.35Å; L770-K772 PolarHBondContact O-N 3.41Å; K772-A776 WeakPolarHBondContact O-CB 3.48Å; K772-A776 PolarHBondContact O-N 2.82Å
773K87.6Confident83.3Confident134 Ų13497.7 Ų97.758%0.58353%0.527SS*.Hα-helixtrans-72.8-37.5177-176159.3-178157.60112.3K769 L770 N771 A776 M777K769-K773 PolarHBondContact O-N 3.1Å; K769-K773 VanDerWaalsContact O-N 3.12Å; L770-K773 CarbonylContact O-C 3.51Å; L770-K773 WeakPolarHBondContact O-CA 3.31Å; L770-K773 WeakPolarHBondContact O-CB 3.47Å; L770-K773 PolarHBondContact O-N 3.47Å; N771-K773 VanDerWaalsContact C-N 3.27Å; N771-K773 PolarHBondContact O-N 3.03Å; K773-A776 PolarHBondContact O-N 2.9Å; K773-M777 HydrophobicContact CG-SD 4.08Å; K773-M777 WeakPolarHBondContact O-CB 3.34Å; K773-M777 VanDerWaalsContact O-CG 3.3Å; K773-M777 WeakPolarHBondContact O-CG 3.33Å; K773-M777 PolarHBondContact O-N 3.13Å
774L89.5Confident83.8Confident33 Ų3398.4 Ų98.417%0.17352%0.523CS..Hα-helixtrans-65.8-40.9173.3-74.1-179.7000112L770 N771 M777 S778 M779 V782L770-L774 HydrophobicContact CD2-CD1 3.32Å; L770-L774 HydrophobicContact CD2-CG 3.65Å; L770-L774 PolarHBondContact O-N 2.86Å; N771-L774 WeakPolarHBondContact O-CB 3.49Å; N771-L774 PolarHBondContact O-N 2.99Å; N771-L774 VanDerWaalsContact O-N 3.13Å; L774-M777 CarbonylContact O-C 3.07Å; L774-M777 PolarHBondContact O-N 3.44Å; L774-S778 CarbonylContact O-C 3.59Å; L774-S778 VanDerWaalsContact O-CA 3.31Å; L774-S778 WeakPolarHBondContact O-CA 3.39Å; L774-S778 PolarHBondContact O-N 3.5Å; L774-M779 WeakPolarHBondContact CB-O 3.3Å; L774-M779 HydrophobicContact CD2-CB 4.25Å; L774-M779 WeakPolarHBondContact CD2-O 3.36Å; L774-M779 PolarHBondContact O-N 3.27Å; L774-V782 HydrophobicContact CD1-CG2 3.74Å; L774-V782 HydrophobicContact CD2-CG2 3.98Å; L774-V782 HydrophobicContact CG-CG2 4.24Å
775E88.8Confident84.1Confident144 Ų14498.6 Ų98.667%0.67353%0.534SS*.Hα-helixtrans-60.2-46.7172.1-73.4168.4-171.800110.7N771 M777 S778N771-E775 WeakPolarHBondContact O-CB 3.31Å; N771-E775 VanDerWaalsContact O-CG 3.31Å; N771-E775 WeakPolarHBondContact O-CG 3.37Å; N771-E775 PolarHBondContact O-N 3.04Å; E775-M777 VanDerWaalsContact C-N 3.29Å; E775-M777 PolarHBondContact O-N 3.39Å; E775-S778 PolarHBondContact O-N 3.37Å; E775-S778 VanDerWaalsContact O-N 3.07Å
776A90.9Very high83.4Confident89 Ų8999.8 Ų99.874%0.73655%0.546SS*.Hα-helixtrans-64-32.2175.900000113.4K772 K773K772-A776 WeakPolarHBondContact O-CB 3.48Å; K772-A776 PolarHBondContact O-N 2.82Å; K773-A776 PolarHBondContact O-N 2.9Å
777M89.9Confident82.6Confident110 Ų110107 Ų10754%0.54257%0.573SS.*Hα-helixtrans-86.3-8.4174.7-71.3177.5155.300113K773 L774 E775 M779K773-M777 HydrophobicContact CG-SD 4.08Å; K773-M777 WeakPolarHBondContact O-CB 3.34Å; K773-M777 VanDerWaalsContact O-CG 3.3Å; K773-M777 WeakPolarHBondContact O-CG 3.33Å; K773-M777 PolarHBondContact O-N 3.13Å; L774-M777 CarbonylContact O-C 3.07Å; L774-M777 PolarHBondContact O-N 3.44Å; E775-M777 VanDerWaalsContact C-N 3.29Å; E775-M777 PolarHBondContact O-N 3.39Å; M777-M779 HydrophobicContact CB-CB 4.42Å; M777-M779 HydrophobicContact CB-CG 4.13Å; M777-M779 PolarHBondContact O-N 3.07Å
778S88.9Confident81.4Confident103 Ų103112.4 Ų112.472%0.7260%0.6SS**THydrogen-bonded Turntrans49.233.3-169.1-1720000114.1L774 E775L774-S778 CarbonylContact O-C 3.59Å; L774-S778 VanDerWaalsContact O-CA 3.31Å; L774-S778 WeakPolarHBondContact O-CA 3.39Å; L774-S778 PolarHBondContact O-N 3.5Å; E775-S778 PolarHBondContact O-N 3.37Å; E775-S778 VanDerWaalsContact O-N 3.07Å
779M86Confident79.9Confident95 Ų95112 Ų11247%0.46861%0.61SS.*  trans-105.9123.6178.6-66.8-66.2160.700109.7L774 M777 Y781L774-M779 WeakPolarHBondContact CB-O 3.3Å; L774-M779 HydrophobicContact CD2-CB 4.25Å; L774-M779 WeakPolarHBondContact CD2-O 3.36Å; L774-M779 PolarHBondContact O-N 3.27Å; M777-M779 HydrophobicContact CB-CB 4.42Å; M777-M779 HydrophobicContact CB-CG 4.13Å; M777-M779 PolarHBondContact O-N 3.07Å; M779-Y781 VanDerWaalsContact C-N 3.29Å; M779-Y781 PolarHBondContact O-N 2.77Å
780P86.4Confident78.1Confident121 Ų121110.1 Ų110.179%0.78662%0.617SS**SBendtrans-81.1-4.1-178.929.9-32.9000114.1
781Y86.5Confident76.3Confident141 Ų141113 Ų11355%0.55364%0.637SS**SBendtrans-132.2151.3-17762.6-93000112M779 I783M779-Y781 VanDerWaalsContact C-N 3.29Å; M779-Y781 PolarHBondContact O-N 2.77Å; Y781-I783 HydrophobicContact CD2-CG1 3.97Å; Y781-I783 HydrophobicContact CE2-CD1 4.01Å; Y781-I783 HydrophobicContact CE2-CG1 3.73Å
782V84.8Confident74.4Confident69 Ų69118.9 Ų118.942%0.41866%0.659SS.*  trans-104.1125.7173.4-174.70000108.9L770 L774 L784L770-V782 HydrophobicContact CD1-CG2 4.11Å; L770-V782 HydrophobicContact CD2-CG2 3.38Å; L770-V782 HydrophobicContact CG-CG2 4.21Å; L774-V782 HydrophobicContact CD1-CG2 3.74Å; L774-V782 HydrophobicContact CD2-CG2 3.98Å; L774-V782 HydrophobicContact CG-CG2 4.24Å; V782-L784 HydrophobicContact CG1-CD2 4.18Å; V782-L784 PolarHBondContact O-N 3.4Å
783I81.7Confident72.3Confident132 Ų132120.9 Ų120.968%0.67767%0.668SS**  trans-84.2106.1169.6-55.6176.6000108.3Y781 S785Y781-I783 HydrophobicContact CD2-CG1 3.97Å; Y781-I783 HydrophobicContact CE2-CD1 4.01Å; Y781-I783 HydrophobicContact CE2-CG1 3.73Å; I783-S785 VanDerWaalsContact C-N 3.33Å; I783-S785 PolarHBondContact O-N 3.25Å
784L76.5Confident70.2Confident151 Ų151122.4 Ų122.479%0.79168%0.682SS**  trans-78.183.3172.7-63.1171.1000109.3V782 G786V782-L784 HydrophobicContact CG1-CD2 4.18Å; V782-L784 PolarHBondContact O-N 3.4Å; L784-G786 PolarHBondContact O-N 3.37Å
785S78.2Confident68Low120 Ų120127.1 Ų127.184%0.83971%0.712SS**  trans-80109.2172.7-174.20000109.9I783I783-S785 VanDerWaalsContact C-N 3.33Å; I783-S785 PolarHBondContact O-N 3.25Å
786G58.7Low65.4Low45 Ų45133.4 Ų133.446%0.46474%0.737SS.*  trans-146.3147.1171.100000109.5L784 N788 A789L784-G786 PolarHBondContact O-N 3.37Å; G786-N788 PolarHBondContact O-N 3.01Å; G786-A789 PolarHBondContact O-N 3.49Å
787K57.2Low64.2Low216 Ų216135.7 Ų135.794%0.93974%0.737SS**THydrogen-bonded Turntrans-52.2-9.1-175.2-81.9174.7172.2176.40115.8
788N53.4Low62.8Low153 Ų153137 Ų13782%0.81875%0.748SS**THydrogen-bonded Turntrans-107.64.3178.4-70.1-7.2000115.2G786 A790G786-N788 PolarHBondContact O-N 3.01Å; N788-A790 PolarHBondContact O-N 3.21Å
789A52.6Low61.4Low84 Ų84138.9 Ų138.969%0.69475%0.749SS**THydrogen-bonded Turntrans-69.5-10.617800000113.8G786G786-A789 PolarHBondContact O-N 3.49Å
790A45.6Very low59.9Low85 Ų85141.5 Ų141.570%0.70277%0.766SS**THydrogen-bonded Turntrans-92.81-169.900000116.3N788N788-A790 PolarHBondContact O-N 3.21Å
791V46.2Very low58.2Low131 Ų131142.8 Ų142.879%0.79477%0.765SS**  trans-127.566.4-173.7-162.70000112.5
792K45.4Very low56.4Low194 Ų194142.9 Ų142.984%0.84378%0.779SS**  trans-142.374.6146.1-129.3176.8-175.7-179.80107.7L794K792-L794 PolarHBondContact O-N 3.43Å
793K42.9Very low54.3Low188 Ų188148.1 Ų148.182%0.81780%0.804SS**  trans-57.1110.2162.9-78-175.4176.2179.60106.5T795K793-T795 PolarHBondContact O-N 3.43Å
794L43.6Very low52.2Low167 Ų167149.4 Ų149.487%0.87481%0.814SS**  trans-58.694.7159.6-78.291.6000107K792 K796K792-L794 PolarHBondContact O-N 3.43Å; L794-K796 PolarHBondContact O-N 3.33Å
795T42.8Very low50.2Low131 Ų131149.3 Ų149.380%0.80482%0.816SS**  trans-69.6111.6158.346.50000106.5K793K793-T795 PolarHBondContact O-N 3.43Å
796K36Very low47.7Very low277 Ų277151.9 Ų151.9100%1.20481%0.814SS**  trans-53.70162.7-81.8179.7172.41790111.6L794L794-K796 PolarHBondContact O-N 3.33Å

Retrieved 796 of 796 residues in 607.3 ms (Link to these results)