A0A3Q0KGU5_SCHMA Loading...

Putative rabb and C

AlphaFold DB , UniProt , Accession A0A3Q0KGU5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 297 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
1M36.8Very low33.5Very low243 Ų243156.2 Ų156.2100%1.19780%0.801SS**  097.40-72.2178.8178.200107.1
2S31.5Very low33.6Very low119 Ų119162.3 Ų162.383%0.83281%0.809SS**  trans-139.1106.8-179.445.10000106.3
3Y35.5Very low33.1Very low225 Ų225156.3 Ų156.388%0.88281%0.813SS**  trans-87118.7175.2-89.9-89.1000108.6
4S29.7Very low33.4Very low93 Ų93152.9 Ų152.965%0.6581%0.809SS**  trans-81.7140.2157-173.80000108.4
5F38.1Very low33.2Very low177 Ų177154.4 Ų154.478%0.77681%0.81SS**  trans-139.399.8164.7-131.8-95.3000107.6L7F5-L7 HydrophobicContact CD1-CD1 4.29Å; F5-L7 HydrophobicContact CE1-CD1 3.82Å
6D32.6Very low33.1Very low142 Ų142152.4 Ų152.476%0.75981%0.809SS**  trans-76145157.8-73.2-52.2000108.9
7L37.7Very low33.2Very low140 Ų140156.8 Ų156.873%0.73381%0.814SS**  trans163.9127.7160.6-90.3164.3000105.2F5F5-L7 HydrophobicContact CD1-CD1 4.29Å; F5-L7 HydrophobicContact CE1-CD1 3.82Å
8H32.9Very low32.9Very low159 Ų159155.5 Ų155.574%0.73681%0.809SS**  cis-168.6136.413.9-168.7-92.1000106
9E28.8Very low32.8Very low184 Ų184153.7 Ų153.786%0.8681%0.805SS**  trans-60.6135162.8-87.5-179.7131.100109.8
10S31.9Very low32.6Very low91 Ų91150.6 Ų150.664%0.63679%0.793SS**  trans-162.7115.2144.664.90000112.1
11I32.6Very low32.5Very low145 Ų145151.2 Ų151.274%0.74479%0.791SS**  trans67.492.4132.9-49.8165000115.6
12Y34.7Very low32.2Very low230 Ų230149.6 Ų149.690%0.90278%0.778SS**  -159.989128.6-88.2-68.5000107.8
13G27.5Very low32.2Very low84 Ų84152.8 Ų152.887%0.86678%0.777SS**  trans-75.1125.6159.600000108.6
14S36.7Very low32Very low108 Ų108149.6 Ų149.676%0.75577%0.774SS**  trans-133.1108.9159.656.90000106.8
15E30.4Very low32.2Very low176 Ų176151 Ų15182%0.82278%0.78SS**  trans-51151.7171.4-67.3-178.1152.800111.3Y17E15-Y17 PolarHBondContact O-N 3.16Å
16P32.2Very low32.1Very low123 Ų123148 Ų14880%0.79978%0.781SS**  trans-62.3125.4176.225.9-32.4000110.1N18P16-N18 PolarHBondContact O-N 3.46Å
17Y34.6Very low32.1Very low226 Ų226148.5 Ų148.589%0.88678%0.784SS**  trans-57.9110.2171.4-84.1-90.6000109.4E15 T19E15-Y17 PolarHBondContact O-N 3.16Å; Y17-T19 PolarHBondContact O-N 2.97Å
18N27.4Very low32Very low134 Ų134151 Ų15172%0.71779%0.792SS**  trans-85.298.7176.9-166.8-2.9000109.3P16 T20P16-N18 PolarHBondContact O-N 3.46Å; N18-T20 VanDerWaalsContact C-N 3.32Å; N18-T20 PolarHBondContact O-N 3.23Å; N18-T20 PolarHBondContact OD1-OG1 3.25Å
19T31.2Very low31.8Very low122 Ų122149.2 Ų149.275%0.74879%0.792SS**  trans-77.478.1172.413.10000110.2Y17Y17-T19 PolarHBondContact O-N 2.97Å
20T29.3Very low31.9Very low91 Ų91147 Ų14756%0.55879%0.791SS**  trans-129.7133.4164.847.50000109.5N18N18-T20 VanDerWaalsContact C-N 3.32Å; N18-T20 PolarHBondContact O-N 3.23Å; N18-T20 PolarHBondContact OD1-OG1 3.25Å
21H30.5Very low31.7Very low164 Ų164148.6 Ų148.676%0.75980%0.797SS**  trans94.870.5178.7-56.9-81.2000118.2
22F30.7Very low31.7Very low208 Ų208148.3 Ų148.391%0.91280%0.803SS**  trans-111.2104.4141.1-107.6-91.7000108.8
23K31.7Very low31.4Very low187 Ų187143.3 Ų143.381%0.81380%0.796SS**  trans-109.3115.2165.9-82.4-173.8177.5-179.20107.8
24I31.3Very low31.5Very low158 Ų158145 Ų14581%0.8179%0.79SS**PPolyproline II helixtrans-77.9123.4172.5-58.6170.3000108.1
25P34Very low31.3Very low121 Ų121146.3 Ų146.379%0.78679%0.793SS**PPolyproline II helixtrans-77.3132173.5-8.325000111.2
26S35.6Very low31.2Very low114 Ų114144.2 Ų144.280%0.79779%0.793SS**PPolyproline II helixtrans-71.8132.4173.351.20000112.9
27N33.2Very low31.3Very low154 Ų154148.7 Ų148.782%0.82480%0.8SS**  trans4.3125.1160-87.6-14.4000119.4
28Q35.1Very low31Very low192 Ų192147.2 Ų147.290%0.89780%0.798SS**  trans-129.3123.9139.4-72.4-170.121.700110.8
29T27.8Very low31.1Very low121 Ų121149 Ų14974%0.74280%0.802SS**  trans-68.9128.9178-49.10000111
30T32.4Very low31Very low138 Ų138152 Ų15285%0.84780%0.804SS**  trans-144.1116.5149.98.30000110.8
31T26.7Very low30.9Very low124 Ų124156.6 Ų156.676%0.76182%0.82SS**  trans-63.3130.9173.934.40000112.8
32T33Very low30.8Very low139 Ų139155.3 Ų155.385%0.85382%0.818SS**  trans-148.2115.7142.8-8.20000111.1
33T27.6Very low30.7Very low126 Ų126148.9 Ų148.977%0.77381%0.81SS**  trans-45.1141.2161.25.30000110.4
34T29.6Very low30.7Very low118 Ų118149.2 Ų149.272%0.72481%0.808SS**  173.9124.976.3-31.40000105.1
35T33.8Very low30.8Very low136 Ų136148.2 Ų148.283%0.83481%0.809SS**  172.8138.290.228.70000108.5
36T28.4Very low30.8Very low133 Ų133152.6 Ų152.682%0.81682%0.815SS**  trans-74.5132.8-175.844.20000114
37K33.9Very low30.9Very low217 Ų217155.8 Ų155.894%0.94382%0.818SS**  trans-133.6106.1143.2-85.2-171.7178.6176.40110.1
38K27.3Very low31Very low195 Ų195157.1 Ų157.185%0.84882%0.817SS**  trans-73130.1163.7-77.2176.7172.7175.30109.2
39H30.5Very low30.9Very low170 Ų170156.3 Ų156.379%0.78782%0.817SS**  trans-156.197.4148.6-110.2-79.3000107.3
40K29.3Very low31.3Very low185 Ų185158.8 Ų158.880%0.80482%0.821SS**  80.510792.9-92.2-171.2175.6-179.90112.8
41Q27.2Very low31.4Very low189 Ų189160.8 Ų160.888%0.88382%0.821SS**  trans-17.3131.7158.1-67.1170.8-14.700114.8
42N27.7Very low32Very low137 Ų137161.9 Ų161.973%0.73382%0.822SS**  trans-140.1101.7155.4-96.5-14.5000109.4Y44N42-Y44 HydrophobicContact CB-CD2 4.02Å; N42-Y44 HydrophobicContact CB-CE2 4.06Å
43G28.8Very low31.8Very low72 Ų72159.1 Ų159.174%0.74282%0.821SS**  trans-71.9121.7166.300000110.1
44Y31.6Very low32.1Very low195 Ų195162.1 Ų162.177%0.76583%0.828SS**  trans-14754.5171.9-80.7-80.9000110.7N42N42-Y44 HydrophobicContact CB-CD2 4.02Å; N42-Y44 HydrophobicContact CB-CE2 4.06Å
45V33.7Very low32Very low137 Ų137167.8 Ų167.883%0.8384%0.837SS**SBendtrans-138.7-1.6168.2-168.60000113.1
46K34.7Very low31.8Very low212 Ų212171.2 Ų171.292%0.92284%0.84SS**SBendtrans-106.310.5-177.7-99.6-172.8177.3-177.80116.4
47Q36.3Very low32Very low182 Ų182171.5 Ų171.585%0.8584%0.842SS**SBendtrans-137.39.5-173.6-146.1157.48.600116.4
48F35Very low31.8Very low182 Ų182171 Ų17180%0.79884%0.839SS**SBendtrans-108.40.6-179.6-163.4-105.2000114.7
49L34.1Very low32.2Very low174 Ų174171.3 Ų171.391%0.91184%0.841SS**SBendtrans-105.518.7179.8-75.9169.3000114.2
50Q35.4Very low32.5Very low173 Ų173168.6 Ų168.681%0.80884%0.841SS**SBendtrans-122.47.6-172.7-147.8162.136.500116.4
51Q35.6Very low32.9Very low181 Ų181164.1 Ų164.185%0.84683%0.833SS**SBendtrans-140.94.3-177.7-77.2-168.8-100118.7
52N38.7Very low33.3Very low146 Ų146160.9 Ų160.978%0.78183%0.829SS**  trans-123.478.8176.3-72.4-42000112.3M54N52-M54 PolarHBondContact O-N 2.85Å
53G28.7Very low33.5Very low82 Ų82161.3 Ų161.385%0.84583%0.83SS**  trans-69.2103.1159.200000109.7
54M33.1Very low33.8Very low188 Ų188165.2 Ų165.293%0.92683%0.832SS**  trans-116.5120.9163.3-93.4-173.7170.400110.5N52N52-M54 PolarHBondContact O-N 2.85Å
55R28.8Very low33.7Very low237 Ų237161 Ų16189%0.89483%0.831SS**  trans-67.7146.5-175.4-73.3172.9169.5175.7-4111.3T57R55-T57 PolarHBondContact O-N 3.19Å
56K28.6Very low34Very low209 Ų209159.8 Ų159.891%0.90982%0.824SS**  trans-45.6126.8169.7-63.7179.1175.7179.50111.9
57T33.6Very low33.9Very low139 Ų139156.5 Ų156.585%0.85382%0.816SS**  trans-128.9130.615554.40000109.4R55R55-T57 PolarHBondContact O-N 3.19Å
58K29.3Very low33.6Very low205 Ų205150.9 Ų150.989%0.89181%0.807SS**  trans-82.2138.5169.2-74.5-179.7173-178.80108.8
59K35.1Very low33.6Very low203 Ų203147.6 Ų147.688%0.88380%0.803SS**  trans144.4135.4157.3-87.4171178.4-1740107.6
60S37.6Very low33.3Very low113 Ų113143.4 Ų143.479%0.7980%0.801SS**  cis-175141.1-2.7350000106.2
61S38.1Very low32.9Very low90 Ų90138 Ų13863%0.62979%0.792SS**  trans-70.2-177.5-175.2-410000114.6
62P34.3Very low32.6Very low122 Ų122133.4 Ų133.479%0.79279%0.793SS**  -132126.972.329.3-11.6000111.9
63L31.7Very low32.7Very low145 Ų145133.8 Ų133.876%0.75979%0.793SS**  4086.965.4-71.9174.7000114.2
64I35.5Very low33.3Very low154 Ų154132.6 Ų132.679%0.7978%0.781SS**  trans-121.697.9146.2-68.4-178.9000106.2V66I64-V66 HydrophobicContact CG2-CG2 3.44Å; I64-V66 VanDerWaalsContact CG2-CG2 3.44Å
65S30.9Very low34.4Very low107 Ų107132.3 Ų132.375%0.74878%0.778SS**  trans-95.1121.8159.2165.50000105.5
66V38.9Very low36.2Very low111 Ų111127.3 Ų127.367%0.67376%0.764SS**  trans-122.898.7173.6-173.10000109I64I64-V66 HydrophobicContact CG2-CG2 3.44Å; I64-V66 VanDerWaalsContact CG2-CG2 3.44Å
67N32.6Very low38.9Very low143 Ų143127.7 Ų127.777%0.76576%0.76SS**  trans53.885.8143.1-58.7-14.6000118.8
68G31.2Very low41.5Very low64 Ų64125.1 Ų125.166%0.6674%0.737SS**  trans-78.1109.6133.900000110.4
69T33.2Very low44.4Very low114 Ų114117.4 Ų117.470%0.69971%0.705SS**  trans30.2127.1133.1500000120G71T69-G71 PolarHBondContact O-N 3.05Å
70G28.8Very low47.2Very low86 Ų86108 Ų10889%0.88767%0.666SS**SBendtrans-54.6133.9145.800000110.5
71G27.9Very low49.9Very low60 Ų60105.6 Ų105.662%0.61964%0.644SS**SBendtrans125.5113.9-174.900000110.5T69 I73T69-G71 PolarHBondContact O-N 3.05Å; G71-I73 PolarHBondContact O-N 2.84Å
72G28.9Very low52.6Low83 Ų83102.2 Ų102.286%0.85662%0.618SS**  trans-47.8126.8-164.100000116.1G74G72-G74 VanDerWaalsContact C-N 3.35Å; G72-G74 PolarHBondContact O-N 2.95Å
73I39.7Very low55.4Low154 Ų15497.3 Ų97.379%0.7959%0.585SS**  trans-76.586.5174.3-56.9171.6000108.1G71G71-I73 PolarHBondContact O-N 2.84Å
74G40.9Very low58.4Low57 Ų5790.4 Ų90.459%0.58855%0.548SS*.  trans-70.4127153.200000107.8G72 Q76G72-G74 VanDerWaalsContact C-N 3.35Å; G72-G74 PolarHBondContact O-N 2.95Å; G74-Q76 PolarHBondContact O-N 3.1Å
75E57Low61.2Low183 Ų18383.1 Ų83.186%0.85551%0.511SS*.  trans-47.6113.1168.3-88.9177.9160.500108.6R77E75-R77 PolarHBondContact O-N 3.46Å
76Q66.4Low64.2Low131 Ų13178 Ų7861%0.61248%0.475SS*.  trans-6798.5179.3-78.8-160.740.900108.2G74 I122G74-Q76 PolarHBondContact O-N 3.1Å; Q76-I122 HydrophobicContact CB-CD1 3.68Å; Q76-I122 VanDerWaalsContact O-CD1 3.27Å; Q76-I122 WeakPolarHBondContact O-CD1 3.3Å
77R85.4Confident66.8Low218 Ų21872.7 Ų72.782%0.82344%0.443SS*.  trans-57137179.3-68.9-174.9174.8171.3-1.7110.5E75 R129E75-R77 PolarHBondContact O-N 3.46Å; R77-R129 VanDerWaalsContact O-CD 3.23Å; R77-R129 WeakPolarHBondContact O-CD 3.31Å; R77-R129 PolarHBondContact O-NE 2.88Å; R77-R129 PolarHBondContact O-NH1 2.86Å
78F89.2Confident69.6Low84 Ų8465.9 Ų65.937%0.36841%0.407SS..  trans-122.3152.7173.954.3-95.5000109.5A80 N81 I122 R129 Q131F78-A80 VanDerWaalsContact CD2-O 3.31Å; F78-A80 WeakPolarHBondContact CD2-O 3.04Å; F78-N81 HydrophobicContact CD2-CB 4.12Å; F78-N81 HydrophobicContact CE2-CB 3.61Å; F78-N81 HydrophobicContact CZ-CB 4.26Å; F78-I122 HydrophobicContact CB-CD1 4.41Å; F78-I122 HydrophobicContact CD1-CD1 4.45Å; F78-R129 CarbonylContact C-O 3.56Å; F78-R129 HydrophobicContact CB-CB 4.35Å; F78-R129 WeakPolarHBondContact CB-O 3.33Å; F78-Q131 HydrophobicContact CB-CB 4.01Å; F78-Q131 HydrophobicContact CD1-CB 3.87Å; F78-Q131 HydrophobicContact CD1-CG 4.4Å; F78-Q131 HydrophobicContact CD2-CB 4.05Å; F78-Q131 HydrophobicContact CE1-CB 4.36Å; F78-Q131 HydrophobicContact CG-CB 3.69Å
79D90.4Very high72.5Confident43 Ų4364.3 Ų64.323%0.2338%0.383CS..SBendtrans-86.3-33.5178.7-55-71.4000110.9H128 R129 P251 R253D79-H128 HydrophobicContact CB-CB 4.49Å; D79-H128 WeakPolarHBondContact OD2-CA 3.45Å; D79-R129 PolarHBondContact N-O 3.25Å; D79-R129 PolarHBondContact OD2-N 3.04Å; D79-P251 VanDerWaalsContact O-CD 3.22Å; D79-P251 WeakPolarHBondContact O-CD 3.14Å; D79-P251 VanDerWaalsContact O-CG 3.24Å; D79-P251 WeakPolarHBondContact O-CG 3.38Å; D79-R253 IonicContact OD1-CZ 2.75Å; D79-R253 IonicContact OD1-NE 3.75Å; D79-R253 PolarHBondContact OD1-NE 3.07Å; D79-R253 IonicContact OD1-NH2 2.84Å; D79-R253 IonicContact OD2-CZ 3.54Å; D79-R253 IonicContact OD2-NE 3.55Å; D79-R253 IonicContact OD2-NH2 3.05Å; D79-R253 PolarHBondContact OD2-NH2 3.31Å
80A92.5Very high75.2Confident7 Ų761.2 Ų61.26%0.05837%0.366CS..EExtended strand (participates in β ladder)trans-137.9152.617900000112F78 F82 R129 Q131F78-A80 VanDerWaalsContact CD2-O 3.31Å; F78-A80 WeakPolarHBondContact CD2-O 3.04Å; A80-F82 HydrophobicContact CB-CD2 4.42Å; A80-F82 HydrophobicContact CB-CE2 3.64Å; A80-F82 HydrophobicContact CB-CZ 4Å; A80-R129 PolarHBondContact N-O 2.95Å; A80-Q131 PolarHBondContact O-N 2.82Å
81N93.8Very high78.1Confident62 Ų6259.7 Ų59.733%0.33235%0.35SS..EExtended strand (participates in β ladder)trans-131.7129.6175.4-177.516.6000110.5F78 Q131 E133F78-N81 HydrophobicContact CD2-CB 4.12Å; F78-N81 HydrophobicContact CE2-CB 3.61Å; F78-N81 HydrophobicContact CZ-CB 4.26Å; N81-Q131 CarbonylContact C-O 3.59Å; N81-Q131 VanDerWaalsContact CA-O 3.31Å; N81-Q131 WeakPolarHBondContact CA-O 3.32Å; N81-Q131 HydrophobicContact CB-CB 4.42Å; N81-Q131 PolarHBondContact OD1-O 2.82Å; N81-E133 PolarHBondContact ND2-OE1 3.4Å; N81-E133 WeakPolarHBondContact OD1-CG 3.46Å
82F94.9Very high81.3Confident19 Ų1956.9 Ų56.98%0.08332%0.321CS..EExtended strand (participates in β ladder)trans-131.1132-179.7-60.4-70.9000111.8A80 V130 Q131 L132 E133 K155 M244 W248A80-F82 HydrophobicContact CB-CD2 4.42Å; A80-F82 HydrophobicContact CB-CE2 3.64Å; A80-F82 HydrophobicContact CB-CZ 4Å; F82-V130 HydrophobicContact CD2-CG1 3.64Å; F82-V130 HydrophobicContact CE2-CG1 3.9Å; F82-Q131 PolarHBondContact N-O 3.25Å; F82-L132 HydrophobicContact CB-CD2 4.16Å; F82-L132 WeakPolarHBondContact O-CA 3.3Å; F82-E133 PolarHBondContact O-N 2.82Å; F82-K155 HydrophobicContact CD1-CB 4.2Å; F82-K155 HydrophobicContact CD1-CG 4.2Å; F82-M244 HydrophobicContact CB-CB 4.43Å; F82-M244 HydrophobicContact CB-CG 3.98Å; F82-M244 HydrophobicContact CB-SD 4.27Å; F82-M244 HydrophobicContact CD1-CB 4.39Å; F82-M244 HydrophobicContact CD2-CB 3.49Å; F82-M244 VanDerWaalsContact CD2-CB 3.49Å; F82-M244 HydrophobicContact CD2-CG 3.97Å; F82-M244 HydrophobicContact CE2-CB 3.7Å; F82-M244 HydrophobicContact CG-CB 3.85Å; F82-M244 HydrophobicContact CG-CG 3.93Å; F82-M244 HydrophobicContact CG-SD 4.32Å; F82-M244 HydrophobicContact CZ-CB 4.25Å; F82-W248 HydrophobicContact CE1-CB 3.56Å; F82-W248 AromaticContact CE1-CG 4Å; F82-W248 HydrophobicContact CE1-CG 4Å; F82-W248 HydrophobicContact CZ-CB 3.91Å
83K94.2Very high84.4Confident19 Ų1953.4 Ų53.48%0.08329%0.285CS..EExtended strand (participates in β ladder)trans-81.6122.4172.5170.4174.1-87.7179.30110.1L85 E153 K155K83-L85 HydrophobicContact CD-CD1 3.94Å; K83-L85 HydrophobicContact CG-CD1 3.55Å; K83-E153 HydrophobicContact CD-CB 3.64Å; K83-E153 IonicContact NZ-OE2 3.94Å; K83-E153 PolarHBondContact NZ-OE2 2.99Å; K83-K155 PolarHBondContact O-N 3.47Å
84V95Very high87Confident0 Ų046.6 Ų46.60%025%0.25CC..EExtended strand (participates in β ladder)trans-119.7127.3178.7-177.10000108.8L132 E133 V134 W135 C156 I158 V240V84-L132 HydrophobicContact CG2-CB 4.43Å; V84-L132 HydrophobicContact CG2-CD2 4.03Å; V84-E133 PolarHBondContact N-O 3.49Å; V84-V134 WeakPolarHBondContact O-CA 3.34Å; V84-W135 PolarHBondContact O-N 2.96Å; V84-C156 WeakPolarHBondContact CA-O 3.44Å; V84-C156 HydrophobicContact CB-CB 4.47Å; V84-C156 HydrophobicContact CG1-CB 4.13Å; V84-C156 HydrophobicContact CG2-CB 4.07Å; V84-I158 HydrophobicContact CG1-CD1 3.67Å; V84-I158 HydrophobicContact CG1-CG1 3.82Å; V84-V240 HydrophobicContact CG1-CG1 4.31Å; V84-V240 HydrophobicContact CG2-CG1 3.96Å
85L93.5Very high89.4Confident0 Ų044.6 Ų44.60%023%0.227CC..EExtended strand (participates in β ladder)trans-106130.8178.1-90.262000110.7K83 W135 T137 H150 F151 A154 C156 F157 I158K83-L85 HydrophobicContact CD-CD1 3.94Å; K83-L85 HydrophobicContact CG-CD1 3.55Å; L85-W135 HydrophobicContact CD1-CB 3.97Å; L85-W135 HydrophobicContact CD1-CG 4.06Å; L85-W135 HydrophobicContact CG-CB 4.11Å; L85-T137 HydrophobicContact CG-CG2 4.49Å; L85-H150 HydrophobicContact CD2-CB 3.9Å; L85-F151 HydrophobicContact CD2-CD2 3.66Å; L85-F151 HydrophobicContact CD2-CE2 4.01Å; L85-F151 HydrophobicContact CD2-CG 4.46Å; L85-A154 HydrophobicContact CD1-CB 3.77Å; L85-A154 HydrophobicContact CD2-CB 4.25Å; L85-A154 HydrophobicContact CG-CB 4.41Å; L85-C156 PolarHBondContact N-O 2.8Å; L85-F157 HydrophobicContact CB-CD1 3.78Å; L85-F157 HydrophobicContact CB-CE1 3.93Å; L85-F157 HydrophobicContact CD2-CD1 4.49Å; L85-F157 HydrophobicContact CD2-CE1 3.81Å; L85-F157 HydrophobicContact CG-CE1 4.49Å; L85-F157 WeakPolarHBondContact O-CA 3.34Å; L85-I158 PolarHBondContact O-N 3.14Å
86L94.1Very high91.2Very high0 Ų036.5 Ų36.50%019%0.19CC..EExtended strand (participates in β ladder)trans-89.1125.4167.4-83.969.9000109.6K94 I97 I98 V134 W135 T137 I158 V160 F237L86-K94 HydrophobicContact CB-CB 4.25Å; L86-K94 HydrophobicContact CB-CD 4.15Å; L86-K94 HydrophobicContact CB-CG 4.31Å; L86-K94 HydrophobicContact CD2-CB 4.06Å; L86-I97 HydrophobicContact CD2-CB 4.44Å; L86-I97 HydrophobicContact CD2-CG2 4.18Å; L86-I98 HydrophobicContact CD1-CD1 4.19Å; L86-I98 HydrophobicContact CD1-CG1 4.4Å; L86-I98 HydrophobicContact CD2-CD1 3.8Å; L86-I98 HydrophobicContact CD2-CG1 3.76Å; L86-I98 HydrophobicContact CG-CD1 4.43Å; L86-V134 HydrophobicContact CD1-CG1 3.32Å; L86-W135 PolarHBondContact N-O 3.39Å; L86-T137 PolarHBondContact O-OG1 2.82Å; L86-I158 CarbonylContact C-O 3.6Å; L86-I158 WeakPolarHBondContact CA-O 3.45Å; L86-I158 HydrophobicContact CD1-CB 4.37Å; L86-I158 HydrophobicContact CD1-CD1 4.1Å; L86-I158 HydrophobicContact CG-CB 4.17Å; L86-I158 HydrophobicContact CG-CG2 4.4Å; L86-V160 HydrophobicContact CD2-CG2 4.39Å; L86-F237 HydrophobicContact CD1-CE1 4.4Å; L86-F237 HydrophobicContact CD1-CZ 4.37Å
87L92.5Very high92.6Very high0 Ų030.2 Ų30.20%016%0.161CC..EExtended strand (participates in β ladder)trans-116.8164.9176.4-55.9-176.9000110.5T137 F151 F157 I158 I159 V160 W176 V180L87-T137 HydrophobicContact CD2-CG2 4.31Å; L87-F151 HydrophobicContact CD1-CE1 4.09Å; L87-F151 HydrophobicContact CD1-CE2 4.43Å; L87-F151 HydrophobicContact CD1-CZ 3.65Å; L87-F151 HydrophobicContact CD2-CE2 3.65Å; L87-F151 HydrophobicContact CD2-CZ 3.58Å; L87-F151 HydrophobicContact CG-CZ 4.28Å; L87-F157 HydrophobicContact CD1-CB 4.44Å; L87-F157 HydrophobicContact CD1-CD1 3.52Å; L87-F157 HydrophobicContact CD1-CE1 4.08Å; L87-F157 HydrophobicContact CD1-CG 4.26Å; L87-F157 HydrophobicContact CD2-CD1 4.49Å; L87-F157 HydrophobicContact CG-CD1 3.96Å; L87-I158 PolarHBondContact N-O 3.07Å; L87-I159 HydrophobicContact CB-CG1 4.29Å; L87-I159 HydrophobicContact CD1-CG1 4.47Å; L87-V160 PolarHBondContact O-N 3.4Å; L87-W176 HydrophobicContact CB-CD2 4.27Å; L87-W176 HydrophobicContact CB-CE3 3.79Å; L87-W176 HydrophobicContact CB-CZ3 4.28Å; L87-W176 HydrophobicContact CD1-CE3 4.32Å; L87-W176 HydrophobicContact CD2-CE3 4.5Å; L87-W176 HydrophobicContact CD2-CZ3 4.45Å; L87-W176 HydrophobicContact CG-CE3 4.43Å; L87-V180 HydrophobicContact CD1-CG2 3.77Å
88G92.7Very high93Very high0 Ų020.1 Ų20.10%012%0.123CC..  trans134.3160.4-179.200000112.3K94 V160 W176G88-K94 PolarHBondContact O-NZ 3.33Å; G88-V160 WeakPolarHBondContact CA-O 3.48Å; G88-W176 VanDerWaalsContact C-CE2 3.45Å; G88-W176 VanDerWaalsContact CA-CE2 3.41Å; G88-W176 VanDerWaalsContact O-CZ2 3.27Å; G88-W176 WeakPolarHBondContact O-CZ2 3.06Å
89N91.2Very high93.2Very high31 Ų3120.1 Ų20.117%0.16612%0.12CC..  trans-57.2165.9-177.2-7226.3000112.8V92 K94 Q171 W176N89-V92 HydrophobicContact CB-CG1 3.9Å; N89-V92 VanDerWaalsContact O-CG2 3.24Å; N89-V92 WeakPolarHBondContact O-CG2 2.98Å; N89-K94 PolarHBondContact O-NZ 3.4Å; N89-Q171 WeakPolarHBondContact OD1-CB 3.19Å; N89-W176 PolarHBondContact OD1-NE1 3.4Å
90S89.6Confident93.4Very high48 Ų4819 Ų1934%0.33612%0.117SC..THydrogen-bonded Turntrans-59.1143169.6-165.40000110.7V92 G139S90-V92 VanDerWaalsContact C-N 3.26Å; S90-V92 PolarHBondContact O-N 2.96Å; S90-G139 WeakPolarHBondContact CA-O 3.43Å; S90-G139 WeakPolarHBondContact CB-O 3.5Å; S90-G139 PolarHBondContact N-O 2.59Å
91G90.8Very high93.5Very high54 Ų5419 Ų1956%0.55712%0.116SC*.THydrogen-bonded Turntrans78.1-6.4174.600000116.5G93 K196G91-G93 PolarHBondContact O-N 3.07Å; G91-K196 VanDerWaalsContact O-CE 3.27Å; G91-K196 WeakPolarHBondContact O-CE 3.43Å; G91-K196 PolarHBondContact O-NZ 2.92Å
92V94.1Very high93.4Very high1 Ų117.3 Ų17.31%0.00611%0.108CC..SBendtrans-67.5-17.8177.9-55.60000113.6N89 S90 K94 V160 D162 N195N89-V92 HydrophobicContact CB-CG1 3.9Å; N89-V92 VanDerWaalsContact O-CG2 3.24Å; N89-V92 WeakPolarHBondContact O-CG2 2.98Å; S90-V92 VanDerWaalsContact C-N 3.26Å; S90-V92 PolarHBondContact O-N 2.96Å; V92-K94 HydrophobicContact CG2-CD 4.49Å; V92-K94 HydrophobicContact CG2-CG 3.81Å; V92-V160 HydrophobicContact CB-CG1 4.29Å; V92-V160 HydrophobicContact CG2-CB 3.93Å; V92-V160 HydrophobicContact CG2-CG1 3.88Å; V92-D162 HydrophobicContact CB-CB 4.39Å; V92-D162 HydrophobicContact CG1-CB 4.34Å; V92-N195 PolarHBondContact O-ND2 3.46Å
93G93.9Very high93.2Very high10 Ų1019.7 Ų19.710%0.10314%0.138CC..  trans103.924.4172.600000116.2G91 S96 I97G91-G93 PolarHBondContact O-N 3.07Å; G93-S96 CarbonylContact O-C 3.6Å; G93-S96 WeakPolarHBondContact O-CB 3.42Å; G93-S96 PolarHBondContact O-N 3.06Å; G93-S96 VanDerWaalsContact O-N 3.13Å; G93-I97 WeakPolarHBondContact O-CG1 3.13Å; G93-I97 PolarHBondContact O-N 2.9Å
94K94.1Very high92.9Very high11 Ų1123.3 Ų23.35%0.04816%0.155CC..Hα-helixtrans-52.8-55.1177.1-59.3-175.1-61-72.90112.9L86 G88 N89 V92 S96 I97 I98 D136 T137 V160L86-K94 HydrophobicContact CB-CB 4.25Å; L86-K94 HydrophobicContact CB-CD 4.15Å; L86-K94 HydrophobicContact CB-CG 4.31Å; L86-K94 HydrophobicContact CD2-CB 4.06Å; G88-K94 PolarHBondContact O-NZ 3.33Å; N89-K94 PolarHBondContact O-NZ 3.4Å; V92-K94 HydrophobicContact CG2-CD 4.49Å; V92-K94 HydrophobicContact CG2-CG 3.81Å; K94-S96 VanDerWaalsContact C-N 3.28Å; K94-S96 PolarHBondContact O-N 3.37Å; K94-I97 WeakPolarHBondContact O-CB 3.5Å; K94-I97 PolarHBondContact O-N 2.9Å; K94-I97 VanDerWaalsContact O-N 3.15Å; K94-I98 PolarHBondContact O-N 2.74Å; K94-D136 WeakPolarHBondContact CB-OD1 3.39Å; K94-T137 WeakPolarHBondContact CE-O 3.49Å; K94-V160 HydrophobicContact CG-CB 4.2Å; K94-V160 HydrophobicContact CG-CG2 4.16Å
95T92.2Very high92.3Very high16 Ų1628.2 Ų28.210%0.09819%0.185CC..Hα-helixtrans-56.7-42.3174.5-45.90000111.9I97 I98 R99 T113 D136T95-I97 PolarHBondContact O-N 2.88Å; T95-I98 PolarHBondContact O-N 2.75Å; T95-R99 WeakPolarHBondContact O-CB 3.42Å; T95-R99 WeakPolarHBondContact O-CG 3.39Å; T95-R99 PolarHBondContact O-N 3.02Å; T95-T113 PolarHBondContact OG1-OG1 3.28Å; T95-D136 WeakPolarHBondContact CA-OD2 3.44Å; T95-D136 WeakPolarHBondContact CB-OD2 3.45Å; T95-D136 WeakPolarHBondContact CG2-OD2 3.23Å; T95-D136 PolarHBondContact N-OD1 3.41Å; T95-D136 PolarHBondContact OG1-OD1 3.4Å; T95-D136 PolarHBondContact OG1-OD2 3.03Å
96S94.4Very high91.9Very high12 Ų1231.5 Ų31.58%0.08420%0.199CC..Hα-helixtrans-65.5-37.9178.9-480000112.4G93 K94 R99 A100G93-S96 CarbonylContact O-C 3.6Å; G93-S96 WeakPolarHBondContact O-CB 3.42Å; G93-S96 PolarHBondContact O-N 3.06Å; G93-S96 VanDerWaalsContact O-N 3.13Å; K94-S96 VanDerWaalsContact C-N 3.28Å; K94-S96 PolarHBondContact O-N 3.37Å; S96-R99 PolarHBondContact O-N 2.87Å; S96-A100 VanDerWaalsContact O-CB 3.28Å; S96-A100 WeakPolarHBondContact O-CB 3.23Å; S96-A100 PolarHBondContact O-N 3.03Å
97I95.7Very high91.2Very high0 Ų037.8 Ų37.80%022%0.224CC..Hα-helixtrans-62.2-46.1174-73.5169.2000110.1L86 G93 K94 T95 A100 L101 V160 V193 N195 A227 I233 F237L86-I97 HydrophobicContact CD2-CB 4.44Å; L86-I97 HydrophobicContact CD2-CG2 4.18Å; G93-I97 WeakPolarHBondContact O-CG1 3.13Å; G93-I97 PolarHBondContact O-N 2.9Å; K94-I97 WeakPolarHBondContact O-CB 3.5Å; K94-I97 PolarHBondContact O-N 2.9Å; K94-I97 VanDerWaalsContact O-N 3.15Å; T95-I97 PolarHBondContact O-N 2.88Å; I97-A100 PolarHBondContact O-N 2.81Å; I97-L101 PolarHBondContact O-N 3.05Å; I97-V160 HydrophobicContact CD1-CG1 3.68Å; I97-V160 HydrophobicContact CD1-CG2 4.04Å; I97-V193 HydrophobicContact CD1-CG1 4.11Å; I97-N195 HydrophobicContact CD1-CB 4.19Å; I97-A227 HydrophobicContact CG1-CB 4.04Å; I97-I233 HydrophobicContact CB-CD1 4.31Å; I97-I233 HydrophobicContact CG1-CD1 3.98Å; I97-I233 HydrophobicContact CG2-CD1 4.06Å; I97-F237 HydrophobicContact CG2-CE2 3.71Å; I97-F237 HydrophobicContact CG2-CZ 3.99Å
98I94.2Very high90.4Very high5 Ų544.6 Ų44.63%0.02626%0.256CS..Hα-helixtrans-63.3-42.4179.4-72.9171.3000111.2L86 K94 T95 L101 V102 I119 V134 D136L86-I98 HydrophobicContact CD1-CD1 4.19Å; L86-I98 HydrophobicContact CD1-CG1 4.4Å; L86-I98 HydrophobicContact CD2-CD1 3.8Å; L86-I98 HydrophobicContact CD2-CG1 3.76Å; L86-I98 HydrophobicContact CG-CD1 4.43Å; K94-I98 PolarHBondContact O-N 2.74Å; T95-I98 PolarHBondContact O-N 2.75Å; I98-L101 WeakPolarHBondContact O-CB 3.41Å; I98-L101 PolarHBondContact O-N 3.05Å; I98-V102 PolarHBondContact O-N 3Å; I98-I119 HydrophobicContact CG2-CB 4.05Å; I98-I119 HydrophobicContact CG2-CD1 3.28Å; I98-I119 HydrophobicContact CG2-CG1 3.6Å; I98-V134 HydrophobicContact CD1-CG1 3.87Å; I98-V134 HydrophobicContact CG1-CG1 3.79Å; I98-D136 HydrophobicContact CD1-CB 3.39Å
99R92.8Very high89.5Confident84 Ų8450.5 Ų50.532%0.31729%0.292SS..Hα-helixtrans-63.5-44.4173-73-174.3-179160.82112.5T95 S96 L101 V102 G103 E104T95-R99 WeakPolarHBondContact O-CB 3.42Å; T95-R99 WeakPolarHBondContact O-CG 3.39Å; T95-R99 PolarHBondContact O-N 3.02Å; S96-R99 PolarHBondContact O-N 2.87Å; R99-L101 VanDerWaalsContact C-N 3.26Å; R99-L101 PolarHBondContact O-N 2.86Å; R99-V102 WeakPolarHBondContact O-CG2 3.39Å; R99-V102 PolarHBondContact O-N 2.9Å; R99-V102 VanDerWaalsContact O-N 3.12Å; R99-G103 PolarHBondContact O-N 3.3Å; R99-E104 HydrophobicContact CB-CB 3.96Å; R99-E104 WeakPolarHBondContact CD-OE2 3.24Å; R99-E104 HydrophobicContact CG-CB 4.48Å; R99-E104 VanDerWaalsContact CG-OE2 3.3Å; R99-E104 WeakPolarHBondContact CG-OE2 3.22Å; R99-E104 IonicContact NE-OE2 3.02Å; R99-E104 WeakPolarHBondContact O-CB 3.4Å; R99-E104 PolarHBondContact O-N 3.49Å
100A94.6Very high88.5Confident19 Ų1952.4 Ų52.416%0.15731%0.305CS..Hα-helixtrans-62.3-35176.800000112S96 I97 V102 G103 I233S96-A100 VanDerWaalsContact O-CB 3.28Å; S96-A100 WeakPolarHBondContact O-CB 3.23Å; S96-A100 PolarHBondContact O-N 3.03Å; I97-A100 PolarHBondContact O-N 2.81Å; A100-V102 VanDerWaalsContact C-N 3.26Å; A100-V102 PolarHBondContact O-N 3.34Å; A100-G103 PolarHBondContact O-N 2.78Å; A100-I233 HydrophobicContact CB-CD1 4.49Å; A100-I233 HydrophobicContact CB-CG1 4.05Å; A100-I233 HydrophobicContact CB-CG2 4.26Å
101L95Very high87.7Confident7 Ų757.2 Ų57.24%0.03733%0.325CS..Hα-helixtrans-60.7-37175.6171.764.4000111.8I97 I98 R99 G103 R121 F123 V134 I233 Q234 F237I97-L101 PolarHBondContact O-N 3.05Å; I98-L101 WeakPolarHBondContact O-CB 3.41Å; I98-L101 PolarHBondContact O-N 3.05Å; R99-L101 VanDerWaalsContact C-N 3.26Å; R99-L101 PolarHBondContact O-N 2.86Å; L101-G103 VanDerWaalsContact C-N 3.32Å; L101-R121 HydrophobicContact CD2-CB 4.3Å; L101-R121 HydrophobicContact CD2-CG 4.02Å; L101-R121 HydrophobicContact CG-CG 4.19Å; L101-F123 HydrophobicContact CD1-CE1 4.35Å; L101-F123 HydrophobicContact CD1-CZ 3.73Å; L101-F123 HydrophobicContact CD2-CZ 4.41Å; L101-V134 HydrophobicContact CD2-CG2 4.4Å; L101-I233 HydrophobicContact CB-CG2 3.84Å; L101-Q234 PolarHBondContact O-NE2 2.54Å; L101-F237 HydrophobicContact CB-CD2 4.21Å; L101-F237 HydrophobicContact CB-CE2 4.04Å; L101-F237 HydrophobicContact CD1-CB 4.16Å; L101-F237 HydrophobicContact CD1-CD2 3.72Å; L101-F237 HydrophobicContact CD1-CE2 4.4Å; L101-F237 HydrophobicContact CD1-CG 4.09Å; L101-F237 HydrophobicContact CD2-CD1 4.05Å; L101-F237 HydrophobicContact CD2-CD2 3.71Å; L101-F237 HydrophobicContact CD2-CE1 4.13Å; L101-F237 HydrophobicContact CD2-CE2 3.8Å; L101-F237 HydrophobicContact CD2-CG 3.84Å; L101-F237 HydrophobicContact CD2-CZ 4.01Å; L101-F237 HydrophobicContact CG-CD2 4.06Å; L101-F237 HydrophobicContact CG-CE2 4.27Å
102V92.6Very high87Confident28 Ų2858.4 Ų58.417%0.1733%0.325CS..THydrogen-bonded Turntrans-87.70.7-180-59.40000114.2I98 R99 A100 E104 I119 R121I98-V102 PolarHBondContact O-N 3Å; R99-V102 WeakPolarHBondContact O-CG2 3.39Å; R99-V102 PolarHBondContact O-N 2.9Å; R99-V102 VanDerWaalsContact O-N 3.12Å; A100-V102 VanDerWaalsContact C-N 3.26Å; A100-V102 PolarHBondContact O-N 3.34Å; V102-E104 HydrophobicContact CG2-CB 4.16Å; V102-E104 HydrophobicContact CG2-CG 3.75Å; V102-I119 HydrophobicContact CG1-CD1 3.67Å; V102-I119 HydrophobicContact CG1-CG2 3.45Å; V102-I119 VanDerWaalsContact CG1-CG2 3.45Å; V102-I119 HydrophobicContact CG2-CD1 4.12Å; V102-R121 HydrophobicContact CG1-CG 4.22Å; V102-R121 PolarHBondContact O-NH2 2.99Å
103G89.6Confident85.9Confident69 Ų6960.2 Ų60.271%0.71134%0.337SS*.THydrogen-bonded Turntrans76.920-178.800000113.9R99 A100 L101R99-G103 PolarHBondContact O-N 3.3Å; A100-G103 PolarHBondContact O-N 2.78Å; L101-G103 VanDerWaalsContact C-N 3.32Å
104E87.4Confident84.7Confident95 Ų9567.1 Ų67.144%0.44437%0.369SS..PPolyproline II helixtrans-71.9147.6174.3-83.8177.1-142.300111.6R99 V102 F106R99-E104 HydrophobicContact CB-CB 3.96Å; R99-E104 WeakPolarHBondContact CD-OE2 3.24Å; R99-E104 HydrophobicContact CG-CB 4.48Å; R99-E104 VanDerWaalsContact CG-OE2 3.3Å; R99-E104 WeakPolarHBondContact CG-OE2 3.22Å; R99-E104 IonicContact NE-OE2 3.02Å; R99-E104 WeakPolarHBondContact O-CB 3.4Å; R99-E104 PolarHBondContact O-N 3.49Å; V102-E104 HydrophobicContact CG2-CB 4.16Å; V102-E104 HydrophobicContact CG2-CG 3.75Å; E104-F106 PolarHBondContact O-N 2.72Å
105T83.2Confident83.4Confident102 Ų10268 Ų6863%0.62638%0.382SS*.PPolyproline II helixtrans-58.9132.4175.1-53.10000110.5Y107T105-Y107 WeakPolarHBondContact O-CD2 3.25Å; T105-Y107 VanDerWaalsContact O-CE2 3.3Å; T105-Y107 WeakPolarHBondContact O-CE2 3.26Å; T105-Y107 PolarHBondContact O-N 2.89Å
106F84.4Confident82.5Confident69 Ų6969.5 Ų69.530%0.30339%0.389SS..PPolyproline II helixtrans-68.8129.6175.1179.9-96.9000111.1E104 A227 K228E104-F106 PolarHBondContact O-N 2.72Å; F106-A227 HydrophobicContact CE2-CB 4.43Å; F106-K228 HydrophobicContact CD1-CB 4.16Å; F106-K228 HydrophobicContact CD1-CG 3.81Å; F106-K228 HydrophobicContact CD2-CB 4.2Å; F106-K228 HydrophobicContact CE1-CB 4.07Å; F106-K228 HydrophobicContact CE1-CD 4.39Å; F106-K228 HydrophobicContact CE1-CG 3.86Å; F106-K228 HydrophobicContact CE2-CB 4.11Å; F106-K228 HydrophobicContact CG-CB 4.22Å; F106-K228 HydrophobicContact CG-CG 4.24Å; F106-K228 HydrophobicContact CZ-CB 4.04Å; F106-K228 HydrophobicContact CZ-CG 4.34Å
107Y80.9Confident82Confident133 Ų13373.3 Ų73.352%0.52241%0.408SS..  trans-107.1122.9173.8-64.6-81.8000110T105 T109T105-Y107 WeakPolarHBondContact O-CD2 3.25Å; T105-Y107 VanDerWaalsContact O-CE2 3.3Å; T105-Y107 WeakPolarHBondContact O-CE2 3.26Å; T105-Y107 PolarHBondContact O-N 2.89Å; Y107-T109 VanDerWaalsContact C-N 3.32Å; Y107-T109 PolarHBondContact O-N 3.33Å
108Q75.7Confident81.6Confident142 Ų14276 Ų7666%0.66442%0.423SS*.SBendtrans-64.5-38.1179.4-171.866.837.200112T110Q108-T110 PolarHBondContact O-N 3.38Å
109T71.9Confident81.4Confident124 Ų12477.2 Ų77.276%0.76143%0.428SS*.SBendtrans-86.7107.8174.551.40000109.2Y107Y107-T109 VanDerWaalsContact C-N 3.32Å; Y107-T109 PolarHBondContact O-N 3.33Å
110T70.2Confident81.5Confident72 Ų7278 Ų7844%0.44243%0.434SS..PPolyproline II helixtrans-101.1128.5172.6-45.90000108.7Q108Q108-T110 PolarHBondContact O-N 3.38Å
111I72.9Confident81.5Confident148 Ų14882.2 Ų82.276%0.75945%0.446SS*.PPolyproline II helixtrans-82140170.2-57.8172.4000107.2T113I111-T113 PolarHBondContact O-N 3.39Å
112S77.7Confident81.5Confident79 Ų7984.2 Ų84.255%0.55246%0.456SS*.PPolyproline II helixtrans-51.1125173.3-61.70000110.4I114S112-I114 PolarHBondContact O-N 3.34Å
113T69.4Low81.7Confident40 Ų4083.5 Ų83.525%0.24545%0.451CS..PPolyproline II helixtrans-62.2120178.6-47.60000109.5T95 I111 A138T95-T113 PolarHBondContact OG1-OG1 3.28Å; I111-T113 PolarHBondContact O-N 3.39Å; T113-A138 WeakPolarHBondContact O-CB 3.28Å
114I68.9Low81.9Confident154 Ų15484.4 Ų84.479%0.7944%0.443SS*.  trans-96.8113.8173.9-58.6174.4000106.8S112S112-I114 PolarHBondContact O-N 3.34Å
115G68.6Low82.2Confident31 Ų3180.2 Ų80.232%0.3242%0.423SS..SBendtrans87-153.8-179.200000113.6A138G115-A138 PolarHBondContact O-N 3.47Å
116I72.6Confident82.5Confident47 Ų4782.9 Ų82.924%0.24143%0.429CS..EExtended strand (participates in β ladder)trans-124.7127.8-178.4-52.5178.1000108.6W135 D136 I146 H150I116-W135 HydrophobicContact CG2-CB 4.21Å; I116-W135 HydrophobicContact CG2-CE3 3.61Å; I116-W135 HydrophobicContact CG2-CZ3 4.41Å; I116-D136 WeakPolarHBondContact CA-O 3.36Å; I116-D136 VanDerWaalsContact CG2-O 3.28Å; I116-D136 WeakPolarHBondContact CG2-O 3.37Å; I116-I146 HydrophobicContact CD1-CG2 3.84Å; I116-H150 WeakPolarHBondContact CD1-CD2 3.47Å
117D82.7Confident82.6Confident91 Ų9185.5 Ų85.549%0.48745%0.446SS..EExtended strand (participates in β ladder)trans-103.1156.3175.3-156.6-2.7000110.8W135 D136D117-W135 CarbonylContact O-C 3.56Å; D117-W135 WeakPolarHBondContact O-CA 3.5Å; D117-D136 HydrophobicContact CB-CB 3.98Å; D117-D136 PolarHBondContact N-O 3.23Å; D117-D136 VanDerWaalsContact N-O 3.1Å; D117-D136 PolarHBondContact O-N 3.28Å
118L87.1Confident83.1Confident58 Ų5880.4 Ų80.430%0.30443%0.427SS..EExtended strand (participates in β ladder)trans-132.8123.1-177.7171.460.7000111.1E133 W135L118-E133 HydrophobicContact CD1-CB 3.82Å; L118-E133 HydrophobicContact CD1-CG 4.23Å; L118-W135 HydrophobicContact CB-CD2 4.45Å; L118-W135 HydrophobicContact CB-CE3 4.36Å; L118-W135 HydrophobicContact CB-CZ3 4.49Å; L118-W135 HydrophobicContact CD1-CD2 4.04Å; L118-W135 HydrophobicContact CD1-CG 4.17Å; L118-W135 HydrophobicContact CD1-CZ2 4.21Å; L118-W135 HydrophobicContact CD2-CH2 4.09Å; L118-W135 HydrophobicContact CD2-CZ2 3.8Å; L118-W135 HydrophobicContact CG-CZ2 4.47Å
119I91.8Very high83.9Confident29 Ų2977 Ų7715%0.14941%0.408CS..EExtended strand (participates in β ladder)trans-114.6138.8167.5-64.6-159.5000109.9I98 V102 R121 V134I98-I119 HydrophobicContact CG2-CB 4.05Å; I98-I119 HydrophobicContact CG2-CD1 3.28Å; I98-I119 HydrophobicContact CG2-CG1 3.6Å; V102-I119 HydrophobicContact CG1-CD1 3.67Å; V102-I119 HydrophobicContact CG1-CG2 3.45Å; V102-I119 VanDerWaalsContact CG1-CG2 3.45Å; V102-I119 HydrophobicContact CG2-CD1 4.12Å; I119-R121 HydrophobicContact CG2-CG 4.03Å; I119-V134 PolarHBondContact N-O 2.81Å; I119-V134 PolarHBondContact O-N 3.09Å
120K94Very high85Confident101 Ų10171.1 Ų71.144%0.43937%0.372SS..EExtended strand (participates in β ladder)trans-106.3128.6170.6-51.5-158-175.5-161.90110.5Q131 L132 E133K120-Q131 HydrophobicContact CB-CG 4.29Å; K120-L132 WeakPolarHBondContact CA-O 3.41Å; K120-E133 HydrophobicContact CD-CG 3.88Å; K120-E133 WeakPolarHBondContact CE-OE1 3.3Å; K120-E133 HydrophobicContact CG-CG 4.01Å; K120-E133 IonicContact NZ-OE1 2.75Å; K120-E133 PolarHBondContact NZ-OE1 2.77Å
121R94.7Very high86.2Confident108 Ų10868.7 Ų68.741%0.40836%0.356SS..EExtended strand (participates in β ladder)trans-135.4138.8173.4-76.3-64.6177.1171.91111.3L101 V102 I119 F123 Q131 L132L101-R121 HydrophobicContact CD2-CB 4.3Å; L101-R121 HydrophobicContact CD2-CG 4.02Å; L101-R121 HydrophobicContact CG-CG 4.19Å; V102-R121 HydrophobicContact CG1-CG 4.22Å; V102-R121 PolarHBondContact O-NH2 2.99Å; I119-R121 HydrophobicContact CG2-CG 4.03Å; R121-F123 HydrophobicContact CB-CE2 3.79Å; R121-F123 HydrophobicContact CB-CZ 4.29Å; R121-Q131 CarbonylContact O-C 3.58Å; R121-Q131 WeakPolarHBondContact O-CA 3.27Å; R121-L132 PolarHBondContact N-O 3.42Å; R121-L132 PolarHBondContact O-N 2.93Å
122I95.1Very high87.3Confident48 Ų4861.7 Ų61.725%0.24632%0.319CS..EExtended strand (participates in β ladder)trans-101.5124.8-179.6-60.4171.9000108.5Q76 F78 R129 V130 Q131Q76-I122 HydrophobicContact CB-CD1 3.68Å; Q76-I122 VanDerWaalsContact O-CD1 3.27Å; Q76-I122 WeakPolarHBondContact O-CD1 3.3Å; F78-I122 HydrophobicContact CB-CD1 4.41Å; F78-I122 HydrophobicContact CD1-CD1 4.45Å; I122-R129 HydrophobicContact CG2-CB 4.03Å; I122-V130 CarbonylContact C-O 3.57Å; I122-V130 WeakPolarHBondContact CA-O 3.31Å; I122-Q131 HydrophobicContact CG1-CB 4.12Å; I122-Q131 HydrophobicContact CG1-CG 4.35Å
123F95.9Very high88.2Confident14 Ų1459.2 Ų59.26%0.06130%0.299CS..EExtended strand (participates in β ladder)trans-106.4154.1172.5-64-93.4000109.1L101 R121 V130 L132 F237 Q238 A241L101-F123 HydrophobicContact CD1-CE1 4.35Å; L101-F123 HydrophobicContact CD1-CZ 3.73Å; L101-F123 HydrophobicContact CD2-CZ 4.41Å; R121-F123 HydrophobicContact CB-CE2 3.79Å; R121-F123 HydrophobicContact CB-CZ 4.29Å; F123-V130 PolarHBondContact N-O 3.39Å; F123-V130 PolarHBondContact O-N 2.91Å; F123-L132 HydrophobicContact CD2-CB 4.44Å; F123-L132 HydrophobicContact CD2-CD1 3.8Å; F123-L132 HydrophobicContact CD2-CG 3.86Å; F123-L132 HydrophobicContact CE2-CB 4.29Å; F123-L132 HydrophobicContact CE2-CD1 3.7Å; F123-L132 HydrophobicContact CE2-CG 4.05Å; F123-F237 HydrophobicContact CE1-CB 3.66Å; F123-F237 HydrophobicContact CE2-CB 3.96Å; F123-F237 HydrophobicContact CZ-CB 3.24Å; F123-F237 HydrophobicContact CZ-CG 4.2Å; F123-Q238 HydrophobicContact CD1-CB 4.39Å; F123-A241 HydrophobicContact CB-CB 3.73Å; F123-A241 HydrophobicContact CD2-CB 4.35Å; F123-A241 HydrophobicContact CG-CB 4.07Å
124T94.7Very high89.3Confident87 Ų8757.3 Ų57.353%0.53429%0.288SS..EExtended strand (participates in β ladder)trans-104.9119.4172.4-54.60000107.4H128 Q238T124-H128 WeakPolarHBondContact CA-O 3.28Å; T124-Q238 PolarHBondContact O-NE2 3.1Å
125V94.3Very high90.5Very high7 Ų751.7 Ų51.74%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-118.6112.9178.5176.30000106.8N127 H128 V130 A241 E242 V245V125-N127 PolarHBondContact O-N 3.12Å; V125-N127 VanDerWaalsContact O-N 3.07Å; V125-H128 PolarHBondContact N-O 3.47Å; V125-H128 PolarHBondContact O-N 3.42Å; V125-V130 HydrophobicContact CB-CG2 4.04Å; V125-V130 HydrophobicContact CG2-CB 4.46Å; V125-V130 HydrophobicContact CG2-CG2 3.9Å; V125-A241 HydrophobicContact CG2-CB 3.66Å; V125-E242 HydrophobicContact CG1-CB 4.43Å; V125-E242 HydrophobicContact CG1-CG 3.9Å; V125-E242 HydrophobicContact CG2-CG 4.04Å; V125-V245 HydrophobicContact CB-CG2 4.06Å; V125-V245 HydrophobicContact CG1-CB 3.99Å; V125-V245 HydrophobicContact CG1-CG1 4.24Å; V125-V245 HydrophobicContact CG1-CG2 3.93Å; V125-V245 HydrophobicContact CG2-CG2 4.35Å
126E89.2Confident91.4Very high158 Ų15850.3 Ų50.374%0.73824%0.242SC*.THydrogen-bonded Turntrans53.3-112.3-167-54.4174.3164.500109.9
127N87.2Confident91.8Very high124 Ų12448.2 Ų48.266%0.66323%0.231SC*.THydrogen-bonded Turntrans-101.4-5.5174.7-68.3-38.8000113V125 R253V125-N127 PolarHBondContact O-N 3.12Å; V125-N127 VanDerWaalsContact O-N 3.07Å; N127-R253 PolarHBondContact O-NH1 2.87Å; N127-R253 PolarHBondContact O-NH2 3.32Å
128H89.9Confident91.3Very high26 Ų2644.4 Ų44.412%0.1221%0.213CC..EExtended strand (participates in β ladder)trans-91.2141.7-174.7-6195.5000112.6D79 T124 V125 V130 A250D79-H128 HydrophobicContact CB-CB 4.49Å; D79-H128 WeakPolarHBondContact OD2-CA 3.45Å; T124-H128 WeakPolarHBondContact CA-O 3.28Å; V125-H128 PolarHBondContact N-O 3.47Å; V125-H128 PolarHBondContact O-N 3.42Å; H128-V130 HydrophobicContact CB-CG2 4.48Å; H128-A250 HydrophobicContact CB-CB 3.96Å; H128-A250 VanDerWaalsContact CD2-CB 3.45Å; H128-A250 WeakPolarHBondContact CD2-CB 3.46Å
129R93Very high89.9Confident72 Ų7242 Ų4227%0.27220%0.201SC..EExtended strand (participates in β ladder)trans-93109.8173-64.2-16964.1176.85.3109.1R77 F78 D79 A80 I122R77-R129 VanDerWaalsContact O-CD 3.23Å; R77-R129 WeakPolarHBondContact O-CD 3.31Å; R77-R129 PolarHBondContact O-NE 2.88Å; R77-R129 PolarHBondContact O-NH1 2.86Å; F78-R129 CarbonylContact C-O 3.56Å; F78-R129 HydrophobicContact CB-CB 4.35Å; F78-R129 WeakPolarHBondContact CB-O 3.33Å; D79-R129 PolarHBondContact N-O 3.25Å; D79-R129 PolarHBondContact OD2-N 3.04Å; A80-R129 PolarHBondContact N-O 2.95Å; I122-R129 HydrophobicContact CG2-CB 4.03Å
130V94.7Very high88.3Confident0 Ų045 Ų450%022%0.215CC..EExtended strand (participates in β ladder)trans-107.3114-175-176.40000109F82 I122 F123 V125 H128 L132 A241 V245F82-V130 HydrophobicContact CD2-CG1 3.64Å; F82-V130 HydrophobicContact CE2-CG1 3.9Å; I122-V130 CarbonylContact C-O 3.57Å; I122-V130 WeakPolarHBondContact CA-O 3.31Å; F123-V130 PolarHBondContact N-O 3.39Å; F123-V130 PolarHBondContact O-N 2.91Å; V125-V130 HydrophobicContact CB-CG2 4.04Å; V125-V130 HydrophobicContact CG2-CB 4.46Å; V125-V130 HydrophobicContact CG2-CG2 3.9Å; H128-V130 HydrophobicContact CB-CG2 4.48Å; V130-L132 HydrophobicContact CG1-CD2 4.12Å; V130-A241 HydrophobicContact CB-CB 4.42Å; V130-A241 HydrophobicContact CG1-CB 4.26Å; V130-V245 HydrophobicContact CG1-CG2 4.49Å; V130-V245 HydrophobicContact CG2-CG2 3.34Å
131Q95.8Very high86.4Confident21 Ų2143.4 Ų43.410%0.09821%0.209CC..EExtended strand (participates in β ladder)trans-82.4122.9170.5-177.5164.287.600109.6F78 A80 N81 F82 K120 R121 I122F78-Q131 HydrophobicContact CB-CB 4.01Å; F78-Q131 HydrophobicContact CD1-CB 3.87Å; F78-Q131 HydrophobicContact CD1-CG 4.4Å; F78-Q131 HydrophobicContact CD2-CB 4.05Å; F78-Q131 HydrophobicContact CE1-CB 4.36Å; F78-Q131 HydrophobicContact CG-CB 3.69Å; A80-Q131 PolarHBondContact O-N 2.82Å; N81-Q131 CarbonylContact C-O 3.59Å; N81-Q131 VanDerWaalsContact CA-O 3.31Å; N81-Q131 WeakPolarHBondContact CA-O 3.32Å; N81-Q131 HydrophobicContact CB-CB 4.42Å; N81-Q131 PolarHBondContact OD1-O 2.82Å; F82-Q131 PolarHBondContact N-O 3.25Å; K120-Q131 HydrophobicContact CB-CG 4.29Å; R121-Q131 CarbonylContact O-C 3.58Å; R121-Q131 WeakPolarHBondContact O-CA 3.27Å; I122-Q131 HydrophobicContact CG1-CB 4.12Å; I122-Q131 HydrophobicContact CG1-CG 4.35Å
132L96.4Very high84.5Confident0 Ų045.3 Ų45.30%022%0.222CC..EExtended strand (participates in β ladder)trans-95.7123.1164.3-59-173.1000108.7F82 V84 K120 R121 F123 V130 V134 F237 V240 A241 M244F82-L132 HydrophobicContact CB-CD2 4.16Å; F82-L132 WeakPolarHBondContact O-CA 3.3Å; V84-L132 HydrophobicContact CG2-CB 4.43Å; V84-L132 HydrophobicContact CG2-CD2 4.03Å; K120-L132 WeakPolarHBondContact CA-O 3.41Å; R121-L132 PolarHBondContact N-O 3.42Å; R121-L132 PolarHBondContact O-N 2.93Å; F123-L132 HydrophobicContact CD2-CB 4.44Å; F123-L132 HydrophobicContact CD2-CD1 3.8Å; F123-L132 HydrophobicContact CD2-CG 3.86Å; F123-L132 HydrophobicContact CE2-CB 4.29Å; F123-L132 HydrophobicContact CE2-CD1 3.7Å; F123-L132 HydrophobicContact CE2-CG 4.05Å; V130-L132 HydrophobicContact CG1-CD2 4.12Å; L132-V134 HydrophobicContact CB-CG2 4.02Å; L132-F237 HydrophobicContact CD1-CB 4.41Å; L132-F237 HydrophobicContact CD1-CD1 4.21Å; L132-V240 HydrophobicContact CD1-CB 4.36Å; L132-V240 HydrophobicContact CD1-CG1 3.97Å; L132-A241 HydrophobicContact CD1-CB 4.16Å; L132-A241 HydrophobicContact CD2-CB 4.39Å; L132-A241 HydrophobicContact CG-CB 4.39Å; L132-M244 HydrophobicContact CD2-CG 4.31Å
133E95.3Very high82.6Confident27 Ų2748.8 Ų48.813%0.12623%0.233CC..EExtended strand (participates in β ladder)trans-89.799.4164-80.1-177.7-172.800108N81 F82 V84 L118 K120N81-E133 PolarHBondContact ND2-OE1 3.4Å; N81-E133 WeakPolarHBondContact OD1-CG 3.46Å; F82-E133 PolarHBondContact O-N 2.82Å; V84-E133 PolarHBondContact N-O 3.49Å; L118-E133 HydrophobicContact CD1-CB 3.82Å; L118-E133 HydrophobicContact CD1-CG 4.23Å; K120-E133 HydrophobicContact CD-CG 3.88Å; K120-E133 WeakPolarHBondContact CE-OE1 3.3Å; K120-E133 HydrophobicContact CG-CG 4.01Å; K120-E133 IonicContact NZ-OE1 2.75Å; K120-E133 PolarHBondContact NZ-OE1 2.77Å
134V94.4Very high80.8Confident0 Ų053.1 Ų53.10%025%0.254CS..EExtended strand (participates in β ladder)trans-94.8115.6-175.2-173.40000109.4V84 L86 I98 L101 I119 L132 F237V84-V134 WeakPolarHBondContact O-CA 3.34Å; L86-V134 HydrophobicContact CD1-CG1 3.32Å; I98-V134 HydrophobicContact CD1-CG1 3.87Å; I98-V134 HydrophobicContact CG1-CG1 3.79Å; L101-V134 HydrophobicContact CD2-CG2 4.4Å; I119-V134 PolarHBondContact N-O 2.81Å; I119-V134 PolarHBondContact O-N 3.09Å; L132-V134 HydrophobicContact CB-CG2 4.02Å; V134-F237 HydrophobicContact CB-CE1 4.39Å; V134-F237 HydrophobicContact CG1-CE1 3.72Å; V134-F237 HydrophobicContact CG1-CZ 4.06Å; V134-F237 HydrophobicContact CG2-CD1 4.08Å; V134-F237 HydrophobicContact CG2-CE1 3.7Å
135W92.2Very high79.1Confident37 Ų3753.3 Ų53.314%0.1426%0.258CS..EExtended strand (participates in β ladder)trans-100.5120.2-176.9-64.873.6000110.5V84 L85 L86 I116 D117 L118 H150V84-W135 PolarHBondContact O-N 2.96Å; L85-W135 HydrophobicContact CD1-CB 3.97Å; L85-W135 HydrophobicContact CD1-CG 4.06Å; L85-W135 HydrophobicContact CG-CB 4.11Å; L86-W135 PolarHBondContact N-O 3.39Å; I116-W135 HydrophobicContact CG2-CB 4.21Å; I116-W135 HydrophobicContact CG2-CE3 3.61Å; I116-W135 HydrophobicContact CG2-CZ3 4.41Å; D117-W135 CarbonylContact O-C 3.56Å; D117-W135 WeakPolarHBondContact O-CA 3.5Å; L118-W135 HydrophobicContact CB-CD2 4.45Å; L118-W135 HydrophobicContact CB-CE3 4.36Å; L118-W135 HydrophobicContact CB-CZ3 4.49Å; L118-W135 HydrophobicContact CD1-CD2 4.04Å; L118-W135 HydrophobicContact CD1-CG 4.17Å; L118-W135 HydrophobicContact CD1-CZ2 4.21Å; L118-W135 HydrophobicContact CD2-CH2 4.09Å; L118-W135 HydrophobicContact CD2-CZ2 3.8Å; L118-W135 HydrophobicContact CG-CZ2 4.47Å; W135-H150 AromaticContact CD2-ND1 3.99Å; W135-H150 AromaticContact CE3-CE1 3.65Å; W135-H150 AromaticContact CE3-ND1 3.51Å; W135-H150 AromaticContact CH2-CE1 3.5Å; W135-H150 AromaticContact CH2-ND1 3.72Å; W135-H150 AromaticContact CZ3-CE1 3.08Å; W135-H150 WeakPolarHBondContact CZ3-CE1 3.49Å; W135-H150 AromaticContact CZ3-ND1 3.37Å; W135-H150 WeakPolarHBondContact CZ3-ND1 3.3Å
136D88.2Confident77.5Confident2 Ų256.9 Ų56.91%0.01128%0.276CS..EExtended strand (participates in β ladder)trans-85.9103.4173.6-168.620.1000109.5K94 T95 I98 I116 D117K94-D136 WeakPolarHBondContact CB-OD1 3.39Å; T95-D136 WeakPolarHBondContact CA-OD2 3.44Å; T95-D136 WeakPolarHBondContact CB-OD2 3.45Å; T95-D136 WeakPolarHBondContact CG2-OD2 3.23Å; T95-D136 PolarHBondContact N-OD1 3.41Å; T95-D136 PolarHBondContact OG1-OD1 3.4Å; T95-D136 PolarHBondContact OG1-OD2 3.03Å; I98-D136 HydrophobicContact CD1-CB 3.39Å; I116-D136 WeakPolarHBondContact CA-O 3.36Å; I116-D136 VanDerWaalsContact CG2-O 3.28Å; I116-D136 WeakPolarHBondContact CG2-O 3.37Å; D117-D136 HydrophobicContact CB-CB 3.98Å; D117-D136 PolarHBondContact N-O 3.23Å; D117-D136 VanDerWaalsContact N-O 3.1Å; D117-D136 PolarHBondContact O-N 3.28Å
137T80.6Confident76.4Confident2 Ų250.8 Ų50.81%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-84.2141.4174.773.40000110.4L85 L86 L87 K94 G139L85-T137 HydrophobicContact CG-CG2 4.49Å; L86-T137 PolarHBondContact O-OG1 2.82Å; L87-T137 HydrophobicContact CD2-CG2 4.31Å; K94-T137 WeakPolarHBondContact CE-O 3.49Å; T137-G139 PolarHBondContact O-N 2.94Å
138A72.2Confident75.6Confident12 Ų1246.7 Ų46.710%0.09923%0.231CC..  trans-51.7132.6166.400000110.3T113 G115 Q140T113-A138 WeakPolarHBondContact O-CB 3.28Å; G115-A138 PolarHBondContact O-N 3.47Å; A138-Q140 PolarHBondContact O-N 3.5Å; A138-Q140 VanDerWaalsContact O-N 3.07Å
139G58.8Low74.8Confident7 Ų751.1 Ų51.17%0.07226%0.255CS..SBendtrans-77.320.7175.300000114.1S90 T137S90-G139 WeakPolarHBondContact CA-O 3.43Å; S90-G139 WeakPolarHBondContact CB-O 3.5Å; S90-G139 PolarHBondContact N-O 2.59Å; T137-G139 PolarHBondContact O-N 2.94Å
140Q56.9Low74.1Confident91 Ų9149.5 Ų49.543%0.42525%0.25SS..SBendtrans-131.8105.5178.5-76.5-82-19.600106A138 Q142A138-Q140 PolarHBondContact O-N 3.5Å; A138-Q140 VanDerWaalsContact O-N 3.07Å; Q140-Q142 PolarHBondContact O-N 3.28Å
141E55.3Low73.5Confident69 Ų6949.7 Ų49.732%0.32225%0.251SS..G310 helixtrans-70.811.9-17254.1-78.116900114.8Y143 H144 Y175E141-Y143 PolarHBondContact O-N 3.31Å; E141-H144 PolarHBondContact O-CD2 3.47Å; E141-H144 VanDerWaalsContact O-CD2 3.27Å; E141-H144 PolarHBondContact O-CE1 2.98Å; E141-H144 VanDerWaalsContact O-CE1 3.28Å; E141-H144 VanDerWaalsContact O-CG 3.29Å; E141-H144 PolarHBondContact O-N 3.12Å; E141-H144 PolarHBondContact O-ND1 3.04Å; E141-H144 PolarHBondContact O-NE2 3.4Å; E141-Y175 HydrophobicContact CB-CE1 4.41Å; E141-Y175 WeakPolarHBondContact CB-OH 3.28Å; E141-Y175 HydrophobicContact CG-CE1 4.43Å
142Q54.1Low72.8Confident147 Ų14757.2 Ų57.269%0.68728%0.279SS*.G310 helixtrans-62.2-9.4-179.1-60.3-174.915.400113.9Q140Q140-Q142 PolarHBondContact O-N 3.28Å
143Y55.8Low72.3Confident122 Ų12263.1 Ų63.148%0.47831%0.306SS..G310 helixtrans-115.143.9177-52.3-71.3000113E141 S145 I146 V147E141-Y143 PolarHBondContact O-N 3.31Å; Y143-S145 PolarHBondContact O-N 2.85Å; Y143-I146 PolarHBondContact O-N 2.91Å; Y143-V147 PolarHBondContact O-N 2.82Å
144H57.7Low72.2Confident105 Ų10561.9 Ų61.949%0.48630%0.3SS..Hα-helixtrans-40.5-43179.6-66.4-64.6000113.4E141 I146 V147 S148 Y175E141-H144 PolarHBondContact O-CD2 3.47Å; E141-H144 VanDerWaalsContact O-CD2 3.27Å; E141-H144 PolarHBondContact O-CE1 2.98Å; E141-H144 VanDerWaalsContact O-CE1 3.28Å; E141-H144 VanDerWaalsContact O-CG 3.29Å; E141-H144 PolarHBondContact O-N 3.12Å; E141-H144 PolarHBondContact O-ND1 3.04Å; E141-H144 PolarHBondContact O-NE2 3.4Å; H144-I146 PolarHBondContact O-N 2.98Å; H144-V147 PolarHBondContact O-N 2.7Å; H144-S148 WeakPolarHBondContact O-CB 3.49Å; H144-S148 PolarHBondContact O-N 3.29Å; H144-S148 PolarHBondContact O-OG 3.26Å; H144-Y175 PolarHBondContact CE1-OH 2.84Å; H144-Y175 PolarHBondContact ND1-OH 2.82Å
145S59.6Low72.2Confident90 Ų9065.4 Ų65.463%0.62932%0.316SS*.Hα-helixtrans-64.6-36.7-178.258.40000115Y143Y143-S145 PolarHBondContact O-N 2.85Å
146I60.2Low72.4Confident82 Ų8263.7 Ų63.742%0.42131%0.309SS..Hα-helixtrans-71.1-44.1177.5-60178.8000108.5I116 Y143 H144 S148 L149 H150I116-I146 HydrophobicContact CD1-CG2 3.84Å; Y143-I146 PolarHBondContact O-N 2.91Å; H144-I146 PolarHBondContact O-N 2.98Å; I146-S148 PolarHBondContact O-N 3.41Å; I146-L149 PolarHBondContact O-N 3.47Å; I146-H150 PolarHBondContact O-CD2 2.79Å; I146-H150 VanDerWaalsContact O-CD2 3.27Å
147V65.7Low72.7Confident31 Ų3163.6 Ų63.619%0.18831%0.309CS..Hα-helixtrans-61.8-44-180177.60000111.1Y143 H144 L149 H150 F151Y143-V147 PolarHBondContact O-N 2.82Å; H144-V147 PolarHBondContact O-N 2.7Å; V147-L149 VanDerWaalsContact C-N 3.26Å; V147-L149 PolarHBondContact O-N 2.95Å; V147-H150 PolarHBondContact O-N 2.81Å; V147-F151 HydrophobicContact CG1-CD2 3.59Å; V147-F151 HydrophobicContact CG1-CE2 3.11Å; V147-F151 HydrophobicContact CG1-CZ 3.96Å; V147-F151 WeakPolarHBondContact O-CD2 3.41Å; V147-F151 PolarHBondContact O-N 3.34Å; V147-F151 VanDerWaalsContact O-N 3.1Å
148S71Confident73.5Confident37 Ų3763.5 Ų63.526%0.25931%0.308SS..Hα-helixtrans-55.5-35.1178.9-60.40000114.1H144 I146 F151 H183H144-S148 WeakPolarHBondContact O-CB 3.49Å; H144-S148 PolarHBondContact O-N 3.29Å; H144-S148 PolarHBondContact O-OG 3.26Å; I146-S148 PolarHBondContact O-N 3.41Å; S148-F151 PolarHBondContact O-N 3.32Å; S148-H183 WeakPolarHBondContact CB-NE2 3.47Å; S148-H183 PolarHBondContact OG-CD2 3.34Å; S148-H183 PolarHBondContact OG-NE2 2.93Å
149L73.6Confident74.6Confident120 Ų12062.9 Ų62.963%0.62830%0.303SS*.Hα-helixtrans-68.3-38.6178.3-70.8172.7000112I146 V147I146-L149 PolarHBondContact O-N 3.47Å; V147-L149 VanDerWaalsContact C-N 3.26Å; V147-L149 PolarHBondContact O-N 2.95Å
150H78.5Confident76.5Confident37 Ų3762.6 Ų62.617%0.17130%0.3CS..Hα-helixtrans-75-27.5178.9-68.8-82.3000112.4L85 I116 W135 I146 V147 E153 A154L85-H150 HydrophobicContact CD2-CB 3.9Å; I116-H150 WeakPolarHBondContact CD1-CD2 3.47Å; W135-H150 AromaticContact CD2-ND1 3.99Å; W135-H150 AromaticContact CE3-CE1 3.65Å; W135-H150 AromaticContact CE3-ND1 3.51Å; W135-H150 AromaticContact CH2-CE1 3.5Å; W135-H150 AromaticContact CH2-ND1 3.72Å; W135-H150 AromaticContact CZ3-CE1 3.08Å; W135-H150 WeakPolarHBondContact CZ3-CE1 3.49Å; W135-H150 AromaticContact CZ3-ND1 3.37Å; W135-H150 WeakPolarHBondContact CZ3-ND1 3.3Å; I146-H150 PolarHBondContact O-CD2 2.79Å; I146-H150 VanDerWaalsContact O-CD2 3.27Å; V147-H150 PolarHBondContact O-N 2.81Å; H150-E153 PolarHBondContact O-N 3.11Å; H150-A154 PolarHBondContact O-N 3.2Å
151F81.5Confident78.4Confident4 Ų458.3 Ų58.32%0.01828%0.28CS..Hα-helixtrans-59-51175.7-87.5-127.6000111.2L85 L87 V147 S148 E153 A154 F157 V180 H183L85-F151 HydrophobicContact CD2-CD2 3.66Å; L85-F151 HydrophobicContact CD2-CE2 4.01Å; L85-F151 HydrophobicContact CD2-CG 4.46Å; L87-F151 HydrophobicContact CD1-CE1 4.09Å; L87-F151 HydrophobicContact CD1-CE2 4.43Å; L87-F151 HydrophobicContact CD1-CZ 3.65Å; L87-F151 HydrophobicContact CD2-CE2 3.65Å; L87-F151 HydrophobicContact CD2-CZ 3.58Å; L87-F151 HydrophobicContact CG-CZ 4.28Å; V147-F151 HydrophobicContact CG1-CD2 3.59Å; V147-F151 HydrophobicContact CG1-CE2 3.11Å; V147-F151 HydrophobicContact CG1-CZ 3.96Å; V147-F151 WeakPolarHBondContact O-CD2 3.41Å; V147-F151 PolarHBondContact O-N 3.34Å; V147-F151 VanDerWaalsContact O-N 3.1Å; S148-F151 PolarHBondContact O-N 3.32Å; F151-E153 PolarHBondContact O-N 3.31Å; F151-A154 WeakPolarHBondContact O-CB 3.42Å; F151-A154 PolarHBondContact O-N 2.82Å; F151-F157 HydrophobicContact CB-CZ 4.22Å; F151-F157 AromaticContact CD1-CE1 3.79Å; F151-F157 HydrophobicContact CD1-CE1 3.79Å; F151-F157 AromaticContact CD1-CZ 3.75Å; F151-F157 HydrophobicContact CD1-CZ 3.75Å; F151-F157 HydrophobicContact CD2-CE1 4.1Å; F151-F157 AromaticContact CE1-CE1 3.94Å; F151-F157 HydrophobicContact CE1-CE1 3.94Å; F151-F157 HydrophobicContact CE1-CZ 4.27Å; F151-F157 HydrophobicContact CE2-CE1 4.18Å; F151-F157 AromaticContact CG-CE1 3.91Å; F151-F157 HydrophobicContact CG-CE1 3.91Å; F151-F157 AromaticContact CG-CZ 3.96Å; F151-F157 HydrophobicContact CG-CZ 3.96Å; F151-F157 HydrophobicContact CZ-CE1 4.15Å; F151-V180 HydrophobicContact CE1-CG2 4.14Å; F151-H183 HydrophobicContact CB-CB 3.72Å; F151-H183 HydrophobicContact CD1-CB 3.73Å; F151-H183 AromaticContact CD1-CG 3.96Å; F151-H183 HydrophobicContact CG-CB 4.11Å
152R81.9Confident80.4Confident180 Ų18055.6 Ų55.668%0.67927%0.268SS*.Hα-helixtrans-57.1-30.3-175.6-174178.7-68.6157.50.5114.2
153E85.9Confident82.5Confident124 Ų12448.6 Ų48.658%0.57924%0.235SC*.Hα-helixtrans-93-7.6-179.6-64-17917700113K83 H150 F151K83-E153 HydrophobicContact CD-CB 3.64Å; K83-E153 IonicContact NZ-OE2 3.94Å; K83-E153 PolarHBondContact NZ-OE2 2.99Å; H150-E153 PolarHBondContact O-N 3.11Å; F151-E153 PolarHBondContact O-N 3.31Å
154A92.2Very high84.4Confident0 Ų044.1 Ų44.10%022%0.221CC..  trans-68.2134.7-179.900000111.1L85 H150 F151 F157 M184L85-A154 HydrophobicContact CD1-CB 3.77Å; L85-A154 HydrophobicContact CD2-CB 4.25Å; L85-A154 HydrophobicContact CG-CB 4.41Å; H150-A154 PolarHBondContact O-N 3.2Å; F151-A154 WeakPolarHBondContact O-CB 3.42Å; F151-A154 PolarHBondContact O-N 2.82Å; A154-F157 HydrophobicContact CB-CE1 3.9Å; A154-F157 HydrophobicContact CB-CE2 3.91Å; A154-F157 HydrophobicContact CB-CZ 3.53Å; A154-M184 WeakPolarHBondContact O-CE 3.23Å
155K94.1Very high86.3Confident75 Ų7541.4 Ų41.433%0.32621%0.21SC..SBendtrans-103.8-9.5173-64-57-172.41790112.8F82 K83 P189 M244 W248F82-K155 HydrophobicContact CD1-CB 4.2Å; F82-K155 HydrophobicContact CD1-CG 4.2Å; K83-K155 PolarHBondContact O-N 3.47Å; K155-P189 WeakPolarHBondContact O-CD 3.44Å; K155-M244 HydrophobicContact CB-SD 3.97Å; K155-M244 VanDerWaalsContact O-SD 3.42Å; K155-W248 HydrophobicContact CD-CD2 4.31Å; K155-W248 HydrophobicContact CD-CH2 4.3Å; K155-W248 HydrophobicContact CD-CZ2 3.91Å; K155-W248 PolarHBondContact O-NE1 2.95Å
156C95.8Very high88.1Confident0 Ų039.8 Ų39.80%019%0.193CC..EExtended strand (participates in β ladder)trans-153.7145.5174.8-169.90000110.4V84 L85 P189 V240 M244V84-C156 WeakPolarHBondContact CA-O 3.44Å; V84-C156 HydrophobicContact CB-CB 4.47Å; V84-C156 HydrophobicContact CG1-CB 4.13Å; V84-C156 HydrophobicContact CG2-CB 4.07Å; L85-C156 PolarHBondContact N-O 2.8Å; C156-P189 WeakPolarHBondContact CA-O 3.39Å; C156-V240 HydrophobicContact CB-CG1 4.41Å; C156-M244 HydrophobicContact CB-CE 3.5Å; C156-M244 VanDerWaalsContact CB-CE 3.5Å; C156-M244 HydrophobicContact CB-SD 3.74Å
157F95.5Very high89.8Confident0 Ų041.4 Ų41.40%020%0.199CC..EExtended strand (participates in β ladder)trans-115.1138.3167.6-66-84.1000110.9L85 L87 F151 A154 V180 M184 V188 P189 V190 F191L85-F157 HydrophobicContact CB-CD1 3.78Å; L85-F157 HydrophobicContact CB-CE1 3.93Å; L85-F157 HydrophobicContact CD2-CD1 4.49Å; L85-F157 HydrophobicContact CD2-CE1 3.81Å; L85-F157 HydrophobicContact CG-CE1 4.49Å; L85-F157 WeakPolarHBondContact O-CA 3.34Å; L87-F157 HydrophobicContact CD1-CB 4.44Å; L87-F157 HydrophobicContact CD1-CD1 3.52Å; L87-F157 HydrophobicContact CD1-CE1 4.08Å; L87-F157 HydrophobicContact CD1-CG 4.26Å; L87-F157 HydrophobicContact CD2-CD1 4.49Å; L87-F157 HydrophobicContact CG-CD1 3.96Å; F151-F157 HydrophobicContact CB-CZ 4.22Å; F151-F157 AromaticContact CD1-CE1 3.79Å; F151-F157 HydrophobicContact CD1-CE1 3.79Å; F151-F157 AromaticContact CD1-CZ 3.75Å; F151-F157 HydrophobicContact CD1-CZ 3.75Å; F151-F157 HydrophobicContact CD2-CE1 4.1Å; F151-F157 AromaticContact CE1-CE1 3.94Å; F151-F157 HydrophobicContact CE1-CE1 3.94Å; F151-F157 HydrophobicContact CE1-CZ 4.27Å; F151-F157 HydrophobicContact CE2-CE1 4.18Å; F151-F157 AromaticContact CG-CE1 3.91Å; F151-F157 HydrophobicContact CG-CE1 3.91Å; F151-F157 AromaticContact CG-CZ 3.96Å; F151-F157 HydrophobicContact CG-CZ 3.96Å; F151-F157 HydrophobicContact CZ-CE1 4.15Å; A154-F157 HydrophobicContact CB-CE1 3.9Å; A154-F157 HydrophobicContact CB-CE2 3.91Å; A154-F157 HydrophobicContact CB-CZ 3.53Å; F157-V180 HydrophobicContact CB-CG2 4.35Å; F157-V180 HydrophobicContact CD1-CG2 4.01Å; F157-V180 HydrophobicContact CD2-CB 4.48Å; F157-V180 HydrophobicContact CD2-CG1 3.72Å; F157-V180 HydrophobicContact CD2-CG2 3.88Å; F157-V180 HydrophobicContact CE1-CG2 4.22Å; F157-V180 HydrophobicContact CE2-CB 4.48Å; F157-V180 HydrophobicContact CE2-CG1 3.68Å; F157-V180 HydrophobicContact CE2-CG2 4.12Å; F157-V180 HydrophobicContact CG-CG1 4.48Å; F157-V180 HydrophobicContact CG-CG2 3.82Å; F157-V180 HydrophobicContact CZ-CG1 4.4Å; F157-V180 HydrophobicContact CZ-CG2 4.27Å; F157-M184 HydrophobicContact CE2-CE 4.09Å; F157-M184 HydrophobicContact CE2-CG 3.78Å; F157-M184 HydrophobicContact CE2-SD 3.88Å; F157-M184 HydrophobicContact CZ-CG 4.17Å; F157-M184 HydrophobicContact CZ-SD 3.94Å; F157-V188 HydrophobicContact CD2-CG2 3.6Å; F157-V188 HydrophobicContact CE2-CG2 3.65Å; F157-P189 PolarHBondContact N-O 3.32Å; F157-V190 HydrophobicContact CB-CG2 4.39Å; F157-V190 CarbonylContact O-C 3.4Å; F157-V190 WeakPolarHBondContact O-CA 3.34Å; F157-F191 PolarHBondContact O-N 3.01Å
158I97.2Very high91.2Very high0 Ų040 Ų400%019%0.19CC..EExtended strand (participates in β ladder)trans-114.8109.5170.7-59.6177.5000106.8V84 L85 L86 L87 V160 F191 V193 L236 F237 V240V84-I158 HydrophobicContact CG1-CD1 3.67Å; V84-I158 HydrophobicContact CG1-CG1 3.82Å; L85-I158 PolarHBondContact O-N 3.14Å; L86-I158 CarbonylContact C-O 3.6Å; L86-I158 WeakPolarHBondContact CA-O 3.45Å; L86-I158 HydrophobicContact CD1-CB 4.37Å; L86-I158 HydrophobicContact CD1-CD1 4.1Å; L86-I158 HydrophobicContact CG-CB 4.17Å; L86-I158 HydrophobicContact CG-CG2 4.4Å; L87-I158 PolarHBondContact N-O 3.07Å; I158-V160 HydrophobicContact CG2-CG2 4.07Å; I158-F191 CarbonylContact C-O 3.58Å; I158-F191 WeakPolarHBondContact CA-O 3.31Å; I158-F191 HydrophobicContact CG1-CB 4.44Å; I158-V193 HydrophobicContact CG2-CB 4.32Å; I158-V193 HydrophobicContact CG2-CG2 3.4Å; I158-V193 VanDerWaalsContact CG2-CG2 3.4Å; I158-L236 HydrophobicContact CG2-CD2 4.43Å; I158-F237 HydrophobicContact CD1-CD1 4.25Å; I158-F237 HydrophobicContact CD1-CE1 3.74Å; I158-F237 HydrophobicContact CD1-CZ 4.28Å; I158-V240 HydrophobicContact CD1-CG2 3.97Å; I158-V240 HydrophobicContact CG1-CG2 4.28Å
159I96.1Very high92.5Very high0 Ų039.4 Ų39.40%018%0.183CC..EExtended strand (participates in β ladder)trans-97.7113.7-179.9-47.4-174.9000108.8L87 I172 W176 L177 V190 F191 F192 V193L87-I159 HydrophobicContact CB-CG1 4.29Å; L87-I159 HydrophobicContact CD1-CG1 4.47Å; I159-I172 HydrophobicContact CG2-CB 4.46Å; I159-I172 HydrophobicContact CG2-CG1 3.96Å; I159-I172 HydrophobicContact CG2-CG2 4.16Å; I159-W176 HydrophobicContact CD1-CB 3.96Å; I159-W176 HydrophobicContact CG2-CB 3.78Å; I159-W176 HydrophobicContact CG2-CG 4Å; I159-L177 HydrophobicContact CD1-CD2 3.77Å; I159-L177 HydrophobicContact CD1-CG 4.11Å; I159-V190 HydrophobicContact CD1-CG1 3.94Å; I159-V190 HydrophobicContact CG1-CG1 4.09Å; I159-F191 PolarHBondContact N-O 3.29Å; I159-F192 HydrophobicContact CB-CD1 4.05Å; I159-F192 HydrophobicContact CB-CE1 4.39Å; I159-F192 HydrophobicContact CD1-CE1 4.06Å; I159-F192 HydrophobicContact CG1-CE1 4.45Å; I159-F192 WeakPolarHBondContact O-CA 3.42Å; I159-V193 PolarHBondContact O-N 3.02Å
160V97.1Very high93.6Very high1 Ų137.8 Ų37.81%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-101.2134.4-173.7-170.70000110.1L86 L87 G88 V92 K94 I97 I158 V193 N195L86-V160 HydrophobicContact CD2-CG2 4.39Å; L87-V160 PolarHBondContact O-N 3.4Å; G88-V160 WeakPolarHBondContact CA-O 3.48Å; V92-V160 HydrophobicContact CB-CG1 4.29Å; V92-V160 HydrophobicContact CG2-CB 3.93Å; V92-V160 HydrophobicContact CG2-CG1 3.88Å; K94-V160 HydrophobicContact CG-CB 4.2Å; K94-V160 HydrophobicContact CG-CG2 4.16Å; I97-V160 HydrophobicContact CD1-CG1 3.68Å; I97-V160 HydrophobicContact CD1-CG2 4.04Å; I158-V160 HydrophobicContact CG2-CG2 4.07Å; V160-V193 WeakPolarHBondContact CA-O 3.48Å; V160-V193 HydrophobicContact CG1-CB 4.4Å; V160-V193 HydrophobicContact CG1-CG1 4.31Å; V160-V193 HydrophobicContact CG2-CB 4.2Å; V160-N195 HydrophobicContact CG1-CB 3.84Å
161Y97.1Very high94.3Very high1 Ų138.3 Ų38.30%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-127.5163.6167.673.2-85.2000110.7V163 F169 I172 V193 A194 N195 V205 F222Y161-V163 HydrophobicContact CE2-CG1 4.19Å; Y161-F169 HydrophobicContact CD1-CD2 4.17Å; Y161-F169 HydrophobicContact CD2-CB 3.86Å; Y161-F169 AromaticContact CD2-CD2 3.95Å; Y161-F169 HydrophobicContact CD2-CD2 3.95Å; Y161-F169 HydrophobicContact CD2-CG 4.37Å; Y161-F169 AromaticContact CE1-CD2 3.93Å; Y161-F169 HydrophobicContact CE1-CD2 3.93Å; Y161-F169 HydrophobicContact CE1-CE2 4.36Å; Y161-F169 HydrophobicContact CE2-CB 4.28Å; Y161-F169 AromaticContact CE2-CD2 3.72Å; Y161-F169 HydrophobicContact CE2-CD2 3.72Å; Y161-F169 HydrophobicContact CE2-CG 4.37Å; Y161-F169 HydrophobicContact CG-CB 4.25Å; Y161-F169 HydrophobicContact CG-CD2 4.14Å; Y161-F169 AromaticContact CZ-CD2 3.67Å; Y161-I172 HydrophobicContact CD1-CD1 3.54Å; Y161-I172 HydrophobicContact CE1-CD1 4.2Å; Y161-I172 HydrophobicContact CG-CD1 4.03Å; Y161-V193 VanDerWaalsContact CD1-O 3.23Å; Y161-V193 WeakPolarHBondContact CD1-O 3.5Å; Y161-V193 PolarHBondContact N-O 3.25Å; Y161-A194 HydrophobicContact CE1-CB 3.69Å; Y161-A194 HydrophobicContact CE2-CB 4Å; Y161-A194 VanDerWaalsContact OH-CB 3.29Å; Y161-A194 WeakPolarHBondContact OH-CB 3.44Å; Y161-N195 WeakPolarHBondContact O-CB 3.29Å; Y161-N195 PolarHBondContact O-N 3.35Å; Y161-V205 HydrophobicContact CD2-CG2 4.5Å; Y161-V205 HydrophobicContact CE2-CB 3.92Å; Y161-V205 HydrophobicContact CE2-CG1 3.69Å; Y161-V205 HydrophobicContact CE2-CG2 4.21Å; Y161-F222 HydrophobicContact CE1-CE2 4.2Å
162D97.1Very high94.9Very high11 Ų1138.1 Ų38.16%0.05917%0.174CC..EExtended strand (participates in β ladder)trans-98.6125.2175.7176.5-10.6000109.1V92 T164 D165 S168 K196V92-D162 HydrophobicContact CB-CB 4.39Å; V92-D162 HydrophobicContact CG1-CB 4.34Å; D162-T164 PolarHBondContact O-N 3.35Å; D162-T164 WeakPolarHBondContact OD1-CB 3.43Å; D162-T164 PolarHBondContact OD1-N 3.05Å; D162-T164 PolarHBondContact OD1-OG1 3.04Å; D162-T164 PolarHBondContact OD2-OG1 2.75Å; D162-D165 HydrophobicContact CB-CB 4.08Å; D162-D165 PolarHBondContact O-N 2.96Å; D162-S168 PolarHBondContact N-OG 2.94Å; D162-S168 PolarHBondContact O-OG 3.48Å; D162-K196 HydrophobicContact CB-CD 4.46Å; D162-K196 VanDerWaalsContact OD2-CD 3.27Å; D162-K196 WeakPolarHBondContact OD2-CD 3.37Å; D162-K196 WeakPolarHBondContact OD2-CE 3.42Å; D162-K196 IonicContact OD2-NZ 2.65Å; D162-K196 PolarHBondContact OD2-NZ 3.16Å
163V98.2Very high95.5Very high1 Ų134.3 Ų34.31%0.00616%0.159CC..THydrogen-bonded Turntrans-62-16.4-179.6-62.30000114Y161 A194 N195 I197 K203 K204 V205Y161-V163 HydrophobicContact CE2-CG1 4.19Å; V163-A194 HydrophobicContact CG1-CB 3.73Å; V163-N195 WeakPolarHBondContact CG1-O 3.35Å; V163-N195 WeakPolarHBondContact CG2-O 3.49Å; V163-N195 PolarHBondContact N-O 2.84Å; V163-I197 HydrophobicContact CG1-CG2 4.03Å; V163-K203 HydrophobicContact CB-CG 4.2Å; V163-K203 HydrophobicContact CG2-CG 4.44Å; V163-K204 PolarHBondContact O-N 2.88Å; V163-V205 PolarHBondContact O-N 2.9Å; V163-V205 VanDerWaalsContact O-N 3.09Å
164T97.4Very high95.8Very high28 Ų2834.4 Ų34.417%0.17216%0.158CC..THydrogen-bonded Turntrans-93.2-3.617772.80000113.6D162 T199 D202 K204D162-T164 PolarHBondContact O-N 3.35Å; D162-T164 WeakPolarHBondContact OD1-CB 3.43Å; D162-T164 PolarHBondContact OD1-N 3.05Å; D162-T164 PolarHBondContact OD1-OG1 3.04Å; D162-T164 PolarHBondContact OD2-OG1 2.75Å; T164-T199 HydrophobicContact CG2-CG2 4.05Å; T164-D202 WeakPolarHBondContact CA-O 3.44Å; T164-D202 WeakPolarHBondContact CB-O 3.35Å; T164-D202 HydrophobicContact CG2-CB 3.84Å; T164-K204 WeakPolarHBondContact O-CD 3.36Å; T164-K204 WeakPolarHBondContact O-CE 3.19Å; T164-K204 PolarHBondContact O-NZ 3.08Å
165D96.3Very high95.8Very high48 Ų4837.3 Ų37.326%0.25717%0.169SC..  trans-126.898.6-178.1-179.213.3000111.5D162 E167 S168 F169D162-D165 HydrophobicContact CB-CB 4.08Å; D162-D165 PolarHBondContact O-N 2.96Å; D165-E167 PolarHBondContact O-N 2.83Å; D165-E167 WeakPolarHBondContact OD1-CB 3.33Å; D165-E167 PolarHBondContact OD1-N 2.84Å; D165-S168 PolarHBondContact O-N 2.96Å; D165-S168 PolarHBondContact O-OG 2.92Å; D165-S168 WeakPolarHBondContact OD2-CB 3.34Å; D165-S168 PolarHBondContact OD2-N 2.9Å; D165-F169 PolarHBondContact O-N 3.39Å
166M97Very high95.7Very high55 Ų5534.2 Ų34.227%0.27116%0.155SC..Hα-helixtrans-60.2-32.7176.7-175.364.282.800112.3S168 F169 E170 K204 V205M166-S168 PolarHBondContact O-N 3.42Å; M166-F169 WeakPolarHBondContact O-CB 3.39Å; M166-F169 PolarHBondContact O-N 2.9Å; M166-F169 HydrophobicContact SD-CD1 3.95Å; M166-E170 HydrophobicContact CG-CG 4.41Å; M166-E170 WeakPolarHBondContact O-CG 3.45Å; M166-E170 PolarHBondContact O-N 3.41Å; M166-K204 WeakPolarHBondContact CE-O 3.5Å; M166-V205 HydrophobicContact CE-CG2 4.32Å; M166-V205 HydrophobicContact SD-CG2 3.91Å
167E96.2Very high95.5Very high117 Ų11735 Ų3555%0.54716%0.16SC..Hα-helixtrans-64.4-44.3179.3-175.6175.7-172.800110.4D165 F169 E170 Q171D165-E167 PolarHBondContact O-N 2.83Å; D165-E167 WeakPolarHBondContact OD1-CB 3.33Å; D165-E167 PolarHBondContact OD1-N 2.84Å; E167-F169 PolarHBondContact O-N 3.37Å; E167-E170 PolarHBondContact O-N 3.22Å; E167-Q171 HydrophobicContact CG-CG 4.41Å; E167-Q171 VanDerWaalsContact O-CG 3.3Å; E167-Q171 WeakPolarHBondContact O-CG 3.1Å; E167-Q171 PolarHBondContact O-N 2.82Å
168S95.4Very high95.2Very high0 Ų042.4 Ų42.40%019%0.187CC..Hα-helixtrans-58.1-34.2175.976.30000113.3D162 D165 M166D162-S168 PolarHBondContact N-OG 2.94Å; D162-S168 PolarHBondContact O-OG 3.48Å; D165-S168 PolarHBondContact O-N 2.96Å; D165-S168 PolarHBondContact O-OG 2.92Å; D165-S168 WeakPolarHBondContact OD2-CB 3.34Å; D165-S168 PolarHBondContact OD2-N 2.9Å; M166-S168 PolarHBondContact O-N 3.42Å
169F97.9Very high94.8Very high26 Ų2642.7 Ų42.711%0.11419%0.19CC..Hα-helixtrans-72.2-44.7175.6175.6-104.4000112.3Y161 D165 M166 E167 Q171 I172 V205 Q209 L213Y161-F169 HydrophobicContact CD1-CD2 4.17Å; Y161-F169 HydrophobicContact CD2-CB 3.86Å; Y161-F169 AromaticContact CD2-CD2 3.95Å; Y161-F169 HydrophobicContact CD2-CD2 3.95Å; Y161-F169 HydrophobicContact CD2-CG 4.37Å; Y161-F169 AromaticContact CE1-CD2 3.93Å; Y161-F169 HydrophobicContact CE1-CD2 3.93Å; Y161-F169 HydrophobicContact CE1-CE2 4.36Å; Y161-F169 HydrophobicContact CE2-CB 4.28Å; Y161-F169 AromaticContact CE2-CD2 3.72Å; Y161-F169 HydrophobicContact CE2-CD2 3.72Å; Y161-F169 HydrophobicContact CE2-CG 4.37Å; Y161-F169 HydrophobicContact CG-CB 4.25Å; Y161-F169 HydrophobicContact CG-CD2 4.14Å; Y161-F169 AromaticContact CZ-CD2 3.67Å; D165-F169 PolarHBondContact O-N 3.39Å; M166-F169 WeakPolarHBondContact O-CB 3.39Å; M166-F169 PolarHBondContact O-N 2.9Å; M166-F169 HydrophobicContact SD-CD1 3.95Å; E167-F169 PolarHBondContact O-N 3.37Å; F169-Q171 VanDerWaalsContact C-N 3.27Å; F169-Q171 PolarHBondContact O-N 3.12Å; F169-I172 HydrophobicContact CD2-CD1 3.99Å; F169-I172 WeakPolarHBondContact O-CB 3.39Å; F169-I172 WeakPolarHBondContact O-CG1 3.47Å; F169-I172 PolarHBondContact O-N 3.27Å; F169-V205 HydrophobicContact CB-CG1 4.31Å; F169-V205 HydrophobicContact CB-CG2 3.74Å; F169-V205 HydrophobicContact CD1-CG1 4.02Å; F169-V205 HydrophobicContact CD1-CG2 4.41Å; F169-V205 HydrophobicContact CD2-CG1 3.7Å; F169-V205 HydrophobicContact CE1-CG1 4.24Å; F169-V205 HydrophobicContact CE2-CG1 3.91Å; F169-V205 HydrophobicContact CG-CG1 3.74Å; F169-V205 HydrophobicContact CG-CG2 4.05Å; F169-V205 HydrophobicContact CZ-CG1 4.18Å; F169-Q209 HydrophobicContact CE1-CB 4.31Å; F169-Q209 HydrophobicContact CZ-CB 3.98Å; F169-L213 HydrophobicContact CD2-CD2 4.11Å; F169-L213 HydrophobicContact CE2-CB 4.13Å; F169-L213 HydrophobicContact CE2-CD2 3.45Å; F169-L213 VanDerWaalsContact CE2-CD2 3.45Å; F169-L213 HydrophobicContact CE2-CG 4.36Å; F169-L213 HydrophobicContact CZ-CB 4.01Å; F169-L213 HydrophobicContact CZ-CD2 3.93Å; F169-L213 HydrophobicContact CZ-CG 4.44Å
170E96.8Very high94.5Very high86 Ų8643 Ų4340%0.40219%0.191SC..Hα-helixtrans-62.7-34.3177.2-70.9-177-174.800112.7M166 E167 I172 R173 K174M166-E170 HydrophobicContact CG-CG 4.41Å; M166-E170 WeakPolarHBondContact O-CG 3.45Å; M166-E170 PolarHBondContact O-N 3.41Å; E167-E170 PolarHBondContact O-N 3.22Å; E170-I172 PolarHBondContact O-N 2.82Å; E170-R173 PolarHBondContact O-N 3.24Å; E170-K174 HydrophobicContact CB-CD 4.34Å; E170-K174 WeakPolarHBondContact O-CG 3.19Å; E170-K174 PolarHBondContact O-N 3.05Å; E170-K174 IonicContact OE2-NZ 2.67Å; E170-K174 PolarHBondContact OE2-NZ 2.87Å
171Q94Very high94.1Very high48 Ų4848.8 Ų48.822%0.22422%0.222CC..Hα-helixtrans-65.7-17.7178.6-70.2-61.1-13.900113.6N89 E167 F169 R173 Y175 W176N89-Q171 WeakPolarHBondContact OD1-CB 3.19Å; E167-Q171 HydrophobicContact CG-CG 4.41Å; E167-Q171 VanDerWaalsContact O-CG 3.3Å; E167-Q171 WeakPolarHBondContact O-CG 3.1Å; E167-Q171 PolarHBondContact O-N 2.82Å; F169-Q171 VanDerWaalsContact C-N 3.27Å; F169-Q171 PolarHBondContact O-N 3.12Å; Q171-R173 VanDerWaalsContact C-N 3.34Å; Q171-R173 PolarHBondContact O-N 3.34Å; Q171-Y175 PolarHBondContact O-N 3.06Å; Q171-W176 VanDerWaalsContact O-CD1 3.29Å; Q171-W176 PolarHBondContact O-N 2.87Å
172I94.5Very high93.6Very high0 Ų054.2 Ų54.20%025%0.248CC..Iπ-helixtrans-55.9-51.1174.9-61.3172.3000110.2I159 Y161 F169 E170 W176 L177 F192 L213I159-I172 HydrophobicContact CG2-CB 4.46Å; I159-I172 HydrophobicContact CG2-CG1 3.96Å; I159-I172 HydrophobicContact CG2-CG2 4.16Å; Y161-I172 HydrophobicContact CD1-CD1 3.54Å; Y161-I172 HydrophobicContact CE1-CD1 4.2Å; Y161-I172 HydrophobicContact CG-CD1 4.03Å; F169-I172 HydrophobicContact CD2-CD1 3.99Å; F169-I172 WeakPolarHBondContact O-CB 3.39Å; F169-I172 WeakPolarHBondContact O-CG1 3.47Å; F169-I172 PolarHBondContact O-N 3.27Å; E170-I172 PolarHBondContact O-N 2.82Å; I172-W176 PolarHBondContact O-N 2.9Å; I172-L177 HydrophobicContact CG2-CD1 4.09Å; I172-L177 HydrophobicContact CG2-CG 4.14Å; I172-L177 WeakPolarHBondContact O-CB 3.49Å; I172-L177 WeakPolarHBondContact O-CG 3.24Å; I172-L177 PolarHBondContact O-N 3.35Å; I172-F192 HydrophobicContact CG2-CD1 4.14Å; I172-F192 HydrophobicContact CG2-CE1 3.73Å; I172-F192 HydrophobicContact CG2-CZ 4.03Å; I172-L213 HydrophobicContact CB-CD2 4.21Å; I172-L213 HydrophobicContact CD1-CD2 3.64Å; I172-L213 HydrophobicContact CG2-CD2 3.99Å
173R94.1Very high93.1Very high99 Ų9956.5 Ų56.537%0.37426%0.258SS..Iπ-helixtrans-77.6-44.9177.9-73.2-171.6173.717110.9112.8E170 Q171 Y175 L177 L213 Q216E170-R173 PolarHBondContact O-N 3.24Å; Q171-R173 VanDerWaalsContact C-N 3.34Å; Q171-R173 PolarHBondContact O-N 3.34Å; R173-Y175 VanDerWaalsContact C-N 3.27Å; R173-Y175 PolarHBondContact O-N 3.18Å; R173-L177 HydrophobicContact CG-CD1 4.33Å; R173-L213 HydrophobicContact CG-CD1 3.7Å; R173-L213 VanDerWaalsContact CZ-CD1 3.41Å; R173-Q216 VanDerWaalsContact CZ-OE1 3.23Å
174K92.7Very high92.6Very high126 Ų12657.9 Ų57.955%0.54827%0.265SS..Iπ-helixtrans-66.2-32.5-171.4-69.1174.2177.9173.20112.2E170E170-K174 HydrophobicContact CB-CD 4.34Å; E170-K174 WeakPolarHBondContact O-CG 3.19Å; E170-K174 PolarHBondContact O-N 3.05Å; E170-K174 IonicContact OE2-NZ 2.67Å; E170-K174 PolarHBondContact OE2-NZ 2.87Å
175Y90.8Very high92Very high62 Ų6263.9 Ų63.924%0.24330%0.296CS..Iπ-helixtrans-133.8-54.7-169.5-176.8-106.2000113.8E141 H144 Q171 R173 R178 S179E141-Y175 HydrophobicContact CB-CE1 4.41Å; E141-Y175 WeakPolarHBondContact CB-OH 3.28Å; E141-Y175 HydrophobicContact CG-CE1 4.43Å; H144-Y175 PolarHBondContact CE1-OH 2.84Å; H144-Y175 PolarHBondContact ND1-OH 2.82Å; Q171-Y175 PolarHBondContact O-N 3.06Å; R173-Y175 VanDerWaalsContact C-N 3.27Å; R173-Y175 PolarHBondContact O-N 3.18Å; Y175-R178 PolarHBondContact O-N 3.39Å; Y175-S179 WeakPolarHBondContact O-CB 3.42Å; Y175-S179 PolarHBondContact O-N 3.36Å; Y175-S179 PolarHBondContact O-OG 3.27Å
176W92Very high91.5Very high9 Ų967.8 Ų67.83%0.03431%0.312CS..Iπ-helixtrans-69.2-46.6-167.7-63.4111.8000113.7L87 G88 N89 I159 Q171 I172 S179 V180L87-W176 HydrophobicContact CB-CD2 4.27Å; L87-W176 HydrophobicContact CB-CE3 3.79Å; L87-W176 HydrophobicContact CB-CZ3 4.28Å; L87-W176 HydrophobicContact CD1-CE3 4.32Å; L87-W176 HydrophobicContact CD2-CE3 4.5Å; L87-W176 HydrophobicContact CD2-CZ3 4.45Å; L87-W176 HydrophobicContact CG-CE3 4.43Å; G88-W176 VanDerWaalsContact C-CE2 3.45Å; G88-W176 VanDerWaalsContact CA-CE2 3.41Å; G88-W176 VanDerWaalsContact O-CZ2 3.27Å; G88-W176 WeakPolarHBondContact O-CZ2 3.06Å; N89-W176 PolarHBondContact OD1-NE1 3.4Å; I159-W176 HydrophobicContact CD1-CB 3.96Å; I159-W176 HydrophobicContact CG2-CB 3.78Å; I159-W176 HydrophobicContact CG2-CG 4Å; Q171-W176 VanDerWaalsContact O-CD1 3.29Å; Q171-W176 PolarHBondContact O-N 2.87Å; I172-W176 PolarHBondContact O-N 2.9Å; W176-S179 WeakPolarHBondContact O-CB 3.48Å; W176-S179 PolarHBondContact O-N 3.32Å; W176-V180 PolarHBondContact O-N 3.48Å; W176-V180 VanDerWaalsContact O-N 3.07Å
177L91.9Very high91.1Very high18 Ų1870 Ų709%0.09434%0.339CS..Hα-helixtrans-63.1-45.3175.9-74.7173000111.6I159 I172 R173 S179 V180 D181 V190 F192 Q217I159-L177 HydrophobicContact CD1-CD2 3.77Å; I159-L177 HydrophobicContact CD1-CG 4.11Å; I172-L177 HydrophobicContact CG2-CD1 4.09Å; I172-L177 HydrophobicContact CG2-CG 4.14Å; I172-L177 WeakPolarHBondContact O-CB 3.49Å; I172-L177 WeakPolarHBondContact O-CG 3.24Å; I172-L177 PolarHBondContact O-N 3.35Å; R173-L177 HydrophobicContact CG-CD1 4.33Å; L177-S179 PolarHBondContact O-N 3Å; L177-V180 WeakPolarHBondContact O-CA 3.11Å; L177-V180 WeakPolarHBondContact O-CB 3.18Å; L177-V180 PolarHBondContact O-N 3.23Å; L177-D181 PolarHBondContact O-N 3.12Å; L177-V190 HydrophobicContact CD2-CG1 4.17Å; L177-F192 HydrophobicContact CD1-CE1 4.47Å; L177-F192 HydrophobicContact CD1-CZ 3.96Å; L177-F192 HydrophobicContact CD2-CE1 3.98Å; L177-F192 HydrophobicContact CD2-CZ 4.03Å; L177-F192 HydrophobicContact CG-CE1 4.44Å; L177-F192 HydrophobicContact CG-CZ 4.39Å; L177-Q217 HydrophobicContact CD1-CB 4.27Å; L177-Q217 HydrophobicContact CD1-CG 3.8Å
178R90.1Very high90.9Very high154 Ų15465.1 Ų65.158%0.58132%0.318SS*.Hα-helixtrans-58-39174.9-178.8177171.4173.3-0112.1Y175 V180 D181 E182Y175-R178 PolarHBondContact O-N 3.39Å; R178-V180 VanDerWaalsContact C-N 3.32Å; R178-V180 PolarHBondContact O-N 2.99Å; R178-D181 PolarHBondContact O-N 2.8Å; R178-E182 HydrophobicContact CG-CG 4.33Å; R178-E182 IonicContact CZ-OE1 3.42Å; R178-E182 IonicContact NE-OE1 2.76Å; R178-E182 PolarHBondContact NE-OE1 3.34Å; R178-E182 IonicContact NH2-OE1 3.2Å; R178-E182 PolarHBondContact NH2-OE1 3.32Å; R178-E182 WeakPolarHBondContact O-CB 2.83Å; R178-E182 VanDerWaalsContact O-CG 3.28Å; R178-E182 WeakPolarHBondContact O-CG 3.33Å; R178-E182 PolarHBondContact O-N 2.6Å
179S88.1Confident91Very high7 Ų765.2 Ų65.25%0.04932%0.318CS..Hα-helixtrans-65.3-36.4176.2-600000111.8Y175 W176 L177 H183Y175-S179 WeakPolarHBondContact O-CB 3.42Å; Y175-S179 PolarHBondContact O-N 3.36Å; Y175-S179 PolarHBondContact O-OG 3.27Å; W176-S179 WeakPolarHBondContact O-CB 3.48Å; W176-S179 PolarHBondContact O-N 3.32Å; L177-S179 PolarHBondContact O-N 3Å; S179-H183 PolarHBondContact O-ND1 3.44Å
180V89.3Confident90.9Very high6 Ų664.7 Ų64.74%0.03632%0.317CS..Hα-helixtrans-63.9-50.6172.7173.60000109.8L87 F151 F157 W176 L177 R178 E182 H183 M184 V188L87-V180 HydrophobicContact CD1-CG2 3.77Å; F151-V180 HydrophobicContact CE1-CG2 4.14Å; F157-V180 HydrophobicContact CB-CG2 4.35Å; F157-V180 HydrophobicContact CD1-CG2 4.01Å; F157-V180 HydrophobicContact CD2-CB 4.48Å; F157-V180 HydrophobicContact CD2-CG1 3.72Å; F157-V180 HydrophobicContact CD2-CG2 3.88Å; F157-V180 HydrophobicContact CE1-CG2 4.22Å; F157-V180 HydrophobicContact CE2-CB 4.48Å; F157-V180 HydrophobicContact CE2-CG1 3.68Å; F157-V180 HydrophobicContact CE2-CG2 4.12Å; F157-V180 HydrophobicContact CG-CG1 4.48Å; F157-V180 HydrophobicContact CG-CG2 3.82Å; F157-V180 HydrophobicContact CZ-CG1 4.4Å; F157-V180 HydrophobicContact CZ-CG2 4.27Å; W176-V180 PolarHBondContact O-N 3.48Å; W176-V180 VanDerWaalsContact O-N 3.07Å; L177-V180 WeakPolarHBondContact O-CA 3.11Å; L177-V180 WeakPolarHBondContact O-CB 3.18Å; L177-V180 PolarHBondContact O-N 3.23Å; R178-V180 VanDerWaalsContact C-N 3.32Å; R178-V180 PolarHBondContact O-N 2.99Å; V180-E182 VanDerWaalsContact C-N 3.28Å; V180-E182 PolarHBondContact O-N 2.65Å; V180-H183 PolarHBondContact O-N 3.48Å; V180-H183 VanDerWaalsContact O-N 3.1Å; V180-M184 HydrophobicContact CG1-CG 3.88Å; V180-M184 WeakPolarHBondContact O-CB 3.36Å; V180-M184 VanDerWaalsContact O-CG 3.29Å; V180-M184 WeakPolarHBondContact O-CG 3.29Å; V180-M184 PolarHBondContact O-N 3.39Å; V180-V188 HydrophobicContact CG1-CG2 4.2Å
181D88.7Confident91Very high123 Ų12360.8 Ų60.866%0.65830%0.299SS*.Hα-helixtrans-61.4-33.9-179-64.7-25.2000113.1L177 R178 H183L177-D181 PolarHBondContact O-N 3.12Å; R178-D181 PolarHBondContact O-N 2.8Å; D181-H183 VanDerWaalsContact C-N 3.29Å; D181-H183 PolarHBondContact O-N 3.15Å
182E88.2Confident91.2Very high114 Ų11458.6 Ų58.653%0.53329%0.288SS..Hα-helixtrans-72.3-19.3178.7-77.5176.6-179.500113.6R178 V180R178-E182 HydrophobicContact CG-CG 4.33Å; R178-E182 IonicContact CZ-OE1 3.42Å; R178-E182 IonicContact NE-OE1 2.76Å; R178-E182 PolarHBondContact NE-OE1 3.34Å; R178-E182 IonicContact NH2-OE1 3.2Å; R178-E182 PolarHBondContact NH2-OE1 3.32Å; R178-E182 WeakPolarHBondContact O-CB 2.83Å; R178-E182 VanDerWaalsContact O-CG 3.28Å; R178-E182 WeakPolarHBondContact O-CG 3.33Å; R178-E182 PolarHBondContact O-N 2.6Å; V180-E182 VanDerWaalsContact C-N 3.28Å; V180-E182 PolarHBondContact O-N 2.65Å
183H86.5Confident91.4Very high59 Ų5958.6 Ų58.627%0.27329%0.288SS..Hα-helixtrans-116.6-14.3-173.9-66.886.9000114.5S148 F151 S179 V180 D181S148-H183 WeakPolarHBondContact CB-NE2 3.47Å; S148-H183 PolarHBondContact OG-CD2 3.34Å; S148-H183 PolarHBondContact OG-NE2 2.93Å; F151-H183 HydrophobicContact CB-CB 3.72Å; F151-H183 HydrophobicContact CD1-CB 3.73Å; F151-H183 AromaticContact CD1-CG 3.96Å; F151-H183 HydrophobicContact CG-CB 4.11Å; S179-H183 PolarHBondContact O-ND1 3.44Å; V180-H183 PolarHBondContact O-N 3.48Å; V180-H183 VanDerWaalsContact O-N 3.1Å; D181-H183 VanDerWaalsContact C-N 3.29Å; D181-H183 PolarHBondContact O-N 3.15Å
184M87.4Confident91.6Very high30 Ų3053.9 Ų53.915%0.14827%0.271CS..  trans-104.3124.4-178.8-60-53.7-7800110.9A154 F157 V180 E186 V188A154-M184 WeakPolarHBondContact O-CE 3.23Å; F157-M184 HydrophobicContact CE2-CE 4.09Å; F157-M184 HydrophobicContact CE2-CG 3.78Å; F157-M184 HydrophobicContact CE2-SD 3.88Å; F157-M184 HydrophobicContact CZ-CG 4.17Å; F157-M184 HydrophobicContact CZ-SD 3.94Å; V180-M184 HydrophobicContact CG1-CG 3.88Å; V180-M184 WeakPolarHBondContact O-CB 3.36Å; V180-M184 VanDerWaalsContact O-CG 3.29Å; V180-M184 WeakPolarHBondContact O-CG 3.29Å; V180-M184 PolarHBondContact O-N 3.39Å; M184-E186 VanDerWaalsContact C-N 3.28Å; M184-V188 HydrophobicContact CE-CB 4.3Å; M184-V188 HydrophobicContact CE-CG1 3.39Å; M184-V188 HydrophobicContact CE-CG2 4.01Å; M184-V188 HydrophobicContact CG-CG2 4.18Å
185D83.3Confident91.9Very high155 Ų15548 Ų4883%0.82925%0.245SC*.SBendtrans-77-19175.2-62.5-48.1000112.2
186E86Confident92.2Very high129 Ų12947.9 Ų47.960%0.60325%0.246SC*.SBendtrans-129151.5-176.1-64.5177.4179.600110.7M184 V188M184-E186 VanDerWaalsContact C-N 3.28Å; E186-V188 PolarHBondContact O-N 3.43Å
187A89.1Confident92.4Very high101 Ų10148.5 Ų48.584%0.83525%0.25SC*.  trans-63.113117200000109.9
188V92.8Very high92.6Very high15 Ų1550.2 Ų50.29%0.09126%0.259CS..  trans-127.1151.2178.9-67.90000111.2F157 V180 M184 E186 V190 W248F157-V188 HydrophobicContact CD2-CG2 3.6Å; F157-V188 HydrophobicContact CE2-CG2 3.65Å; V180-V188 HydrophobicContact CG1-CG2 4.2Å; M184-V188 HydrophobicContact CE-CB 4.3Å; M184-V188 HydrophobicContact CE-CG1 3.39Å; M184-V188 HydrophobicContact CE-CG2 4.01Å; M184-V188 HydrophobicContact CG-CG2 4.18Å; E186-V188 PolarHBondContact O-N 3.43Å; V188-V190 PolarHBondContact O-N 2.96Å; V188-W248 HydrophobicContact CG1-CZ2 4.2Å
189P96.5Very high92.7Very high2 Ų244.9 Ų44.91%0.01324%0.244CC..  trans-56134.6174.6-30.837.4000113.8K155 C156 F157 F191 H220 M244 T247K155-P189 WeakPolarHBondContact O-CD 3.44Å; C156-P189 WeakPolarHBondContact CA-O 3.39Å; F157-P189 PolarHBondContact N-O 3.32Å; P189-F191 HydrophobicContact CB-CE2 4.42Å; P189-H220 HydrophobicContact CB-CB 4.48Å; P189-M244 HydrophobicContact CB-CE 3.6Å; P189-M244 HydrophobicContact CG-CE 3.56Å; P189-T247 HydrophobicContact CG-CG2 4.06Å
190V96.9Very high92.5Very high15 Ų1551.1 Ų51.19%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-129.4130.6177.9-179.20000109.4F157 I159 L177 V188 F192 A219 H220F157-V190 HydrophobicContact CB-CG2 4.39Å; F157-V190 CarbonylContact O-C 3.4Å; F157-V190 WeakPolarHBondContact O-CA 3.34Å; I159-V190 HydrophobicContact CD1-CG1 3.94Å; I159-V190 HydrophobicContact CG1-CG1 4.09Å; L177-V190 HydrophobicContact CD2-CG1 4.17Å; V188-V190 PolarHBondContact O-N 2.96Å; V190-F192 HydrophobicContact CG1-CD1 4.12Å; V190-F192 HydrophobicContact CG1-CE1 3.6Å; V190-F192 HydrophobicContact CG1-CZ 4.38Å; V190-A219 CarbonylContact O-C 3.57Å; V190-H220 PolarHBondContact O-N 3.21Å
191F98.4Very high92.6Very high5 Ų560.6 Ų60.62%0.02232%0.316CS..EExtended strand (participates in β ladder)trans-115.2139.8174-72.7-102.4000110.2F157 I158 I159 P189 H220 G221 F223 A239 V240 C243F157-F191 PolarHBondContact O-N 3.01Å; I158-F191 CarbonylContact C-O 3.58Å; I158-F191 WeakPolarHBondContact CA-O 3.31Å; I158-F191 HydrophobicContact CG1-CB 4.44Å; I159-F191 PolarHBondContact N-O 3.29Å; P189-F191 HydrophobicContact CB-CE2 4.42Å; F191-H220 HydrophobicContact CD2-CB 4.36Å; F191-H220 HydrophobicContact CE1-CB 4.47Å; F191-H220 HydrophobicContact CE2-CB 3.88Å; F191-H220 HydrophobicContact CZ-CB 3.95Å; F191-G221 WeakPolarHBondContact CA-O 3.28Å; F191-F223 HydrophobicContact CD1-CD2 4.15Å; F191-F223 AromaticContact CD1-CE2 3.78Å; F191-F223 HydrophobicContact CD1-CE2 3.78Å; F191-F223 AromaticContact CE1-CE2 3.97Å; F191-F223 HydrophobicContact CE1-CE2 3.97Å; F191-A239 HydrophobicContact CE1-CB 4.43Å; F191-V240 HydrophobicContact CD1-CG2 4.3Å; F191-V240 HydrophobicContact CD2-CG2 3.84Å; F191-V240 HydrophobicContact CE1-CG2 4.35Å; F191-V240 HydrophobicContact CE2-CG2 3.9Å; F191-V240 HydrophobicContact CG-CG2 4.05Å; F191-V240 HydrophobicContact CZ-CG2 4.16Å; F191-C243 HydrophobicContact CE2-CB 4.02Å; F191-C243 HydrophobicContact CZ-CB 3.71Å
192F98.5Very high92.6Very high1 Ų159.4 Ų59.40%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-102134.5171.7-61.1-27.2000110.7I159 I172 L177 V190 L213 T214 Q217 A219 G221 F222 F223I159-F192 HydrophobicContact CB-CD1 4.05Å; I159-F192 HydrophobicContact CB-CE1 4.39Å; I159-F192 HydrophobicContact CD1-CE1 4.06Å; I159-F192 HydrophobicContact CG1-CE1 4.45Å; I159-F192 WeakPolarHBondContact O-CA 3.42Å; I172-F192 HydrophobicContact CG2-CD1 4.14Å; I172-F192 HydrophobicContact CG2-CE1 3.73Å; I172-F192 HydrophobicContact CG2-CZ 4.03Å; L177-F192 HydrophobicContact CD1-CE1 4.47Å; L177-F192 HydrophobicContact CD1-CZ 3.96Å; L177-F192 HydrophobicContact CD2-CE1 3.98Å; L177-F192 HydrophobicContact CD2-CZ 4.03Å; L177-F192 HydrophobicContact CG-CE1 4.44Å; L177-F192 HydrophobicContact CG-CZ 4.39Å; V190-F192 HydrophobicContact CG1-CD1 4.12Å; V190-F192 HydrophobicContact CG1-CE1 3.6Å; V190-F192 HydrophobicContact CG1-CZ 4.38Å; F192-L213 HydrophobicContact CD2-CD2 3.91Å; F192-L213 HydrophobicContact CD2-CG 3.94Å; F192-L213 HydrophobicContact CE2-CD2 4.01Å; F192-L213 HydrophobicContact CE2-CG 3.71Å; F192-T214 WeakPolarHBondContact CD2-OG1 3.47Å; F192-Q217 HydrophobicContact CE2-CB 4.09Å; F192-Q217 HydrophobicContact CE2-CG 4.37Å; F192-Q217 HydrophobicContact CZ-CB 4.06Å; F192-Q217 HydrophobicContact CZ-CG 4.37Å; F192-A219 HydrophobicContact CD2-CB 3.91Å; F192-A219 HydrophobicContact CE1-CB 4.33Å; F192-A219 HydrophobicContact CE2-CB 3.58Å; F192-A219 HydrophobicContact CG-CB 4.39Å; F192-A219 HydrophobicContact CZ-CB 3.81Å; F192-G221 PolarHBondContact N-O 3.42Å; F192-F222 HydrophobicContact CB-CD2 4.16Å; F192-F222 WeakPolarHBondContact O-CA 3.39Å; F192-F223 PolarHBondContact O-N 2.89Å
193V98.6Very high92.9Very high0 Ų057.3 Ų57.30%030%0.298CS..EExtended strand (participates in β ladder)trans-126.1114.9-176.7179.50000110.3I97 I158 I159 V160 Y161 N195 F223 T225 L236I97-V193 HydrophobicContact CD1-CG1 4.11Å; I158-V193 HydrophobicContact CG2-CB 4.32Å; I158-V193 HydrophobicContact CG2-CG2 3.4Å; I158-V193 VanDerWaalsContact CG2-CG2 3.4Å; I159-V193 PolarHBondContact O-N 3.02Å; V160-V193 WeakPolarHBondContact CA-O 3.48Å; V160-V193 HydrophobicContact CG1-CB 4.4Å; V160-V193 HydrophobicContact CG1-CG1 4.31Å; V160-V193 HydrophobicContact CG2-CB 4.2Å; Y161-V193 VanDerWaalsContact CD1-O 3.23Å; Y161-V193 WeakPolarHBondContact CD1-O 3.5Å; Y161-V193 PolarHBondContact N-O 3.25Å; V193-N195 PolarHBondContact O-N 3.06Å; V193-F223 CarbonylContact C-O 3.56Å; V193-F223 WeakPolarHBondContact CA-O 3.48Å; V193-F223 HydrophobicContact CG2-CB 4.49Å; V193-T225 HydrophobicContact CG1-CG2 3.71Å; V193-T225 WeakPolarHBondContact CG1-OG1 3.18Å; V193-L236 HydrophobicContact CG1-CD2 4.34Å; V193-L236 HydrophobicContact CG2-CD1 3.74Å; V193-L236 HydrophobicContact CG2-CD2 3.65Å; V193-L236 HydrophobicContact CG2-CG 4.36Å
194A98.6Very high93.4Very high0 Ų060.8 Ų60.80%031%0.313CS..EExtended strand (participates in β ladder)trans-87.596.3172.100000108.9Y161 V163 I197 F222 F223 E224 T225Y161-A194 HydrophobicContact CE1-CB 3.69Å; Y161-A194 HydrophobicContact CE2-CB 4Å; Y161-A194 VanDerWaalsContact OH-CB 3.29Å; Y161-A194 WeakPolarHBondContact OH-CB 3.44Å; V163-A194 HydrophobicContact CG1-CB 3.73Å; A194-I197 WeakPolarHBondContact O-CG2 3.25Å; A194-F222 HydrophobicContact CB-CE2 3.79Å; A194-F222 HydrophobicContact CB-CZ 3.74Å; A194-F223 PolarHBondContact N-O 3.41Å; A194-E224 HydrophobicContact CB-CG 3.96Å; A194-E224 CarbonylContact O-C 3.57Å; A194-E224 WeakPolarHBondContact O-CA 3.16Å; A194-T225 PolarHBondContact O-N 3.02Å
195N98.3Very high93.9Very high2 Ų259.4 Ų59.41%0.01131%0.306CS..EExtended strand (participates in β ladder)trans-92165.1-175.9-165.532.4000112.4V92 I97 V160 Y161 V163 V193 T225 A227V92-N195 PolarHBondContact O-ND2 3.46Å; I97-N195 HydrophobicContact CD1-CB 4.19Å; V160-N195 HydrophobicContact CG1-CB 3.84Å; Y161-N195 WeakPolarHBondContact O-CB 3.29Å; Y161-N195 PolarHBondContact O-N 3.35Å; V163-N195 WeakPolarHBondContact CG1-O 3.35Å; V163-N195 WeakPolarHBondContact CG2-O 3.49Å; V163-N195 PolarHBondContact N-O 2.84Å; V193-N195 PolarHBondContact O-N 3.06Å; N195-T225 CarbonylContact C-O 3.57Å; N195-T225 VanDerWaalsContact CA-O 3.31Å; N195-T225 WeakPolarHBondContact CA-O 3.44Å; N195-T225 PolarHBondContact OD1-O 3.46Å; N195-T225 PolarHBondContact OD1-OG1 3.49Å; N195-T225 VanDerWaalsContact OD1-OG1 3.05Å; N195-A227 PolarHBondContact OD1-N 2.94Å
196K97.1Very high94.5Very high61 Ų6153.8 Ų53.827%0.26528%0.279SS..  trans67.930.8179.1-45.3-167.3-164.5168.10114.7G91 D162 D198 T199 T225G91-K196 VanDerWaalsContact O-CE 3.27Å; G91-K196 WeakPolarHBondContact O-CE 3.43Å; G91-K196 PolarHBondContact O-NZ 2.92Å; D162-K196 HydrophobicContact CB-CD 4.46Å; D162-K196 VanDerWaalsContact OD2-CD 3.27Å; D162-K196 WeakPolarHBondContact OD2-CD 3.37Å; D162-K196 WeakPolarHBondContact OD2-CE 3.42Å; D162-K196 IonicContact OD2-NZ 2.65Å; D162-K196 PolarHBondContact OD2-NZ 3.16Å; K196-D198 PolarHBondContact O-N 2.83Å; K196-T199 PolarHBondContact O-N 3.29Å; K196-T199 PolarHBondContact O-OG1 2.9Å; K196-T225 PolarHBondContact N-O 2.77Å
197I97.1Very high95Very high21 Ų2149 Ų4911%0.10826%0.259CS..THydrogen-bonded Turntrans-62.4-10.1177.269.4-178.6000114.5V163 A194 T199 E224 T225 K231V163-I197 HydrophobicContact CG1-CG2 4.03Å; A194-I197 WeakPolarHBondContact O-CG2 3.25Å; I197-T199 PolarHBondContact O-N 2.98Å; I197-E224 HydrophobicContact CD1-CB 3.94Å; I197-E224 WeakPolarHBondContact CD1-O 3.41Å; I197-E224 HydrophobicContact CG2-CB 3.86Å; I197-E224 HydrophobicContact CG2-CG 4.13Å; I197-T225 WeakPolarHBondContact CG1-O 3.12Å; I197-T225 PolarHBondContact N-O 2.86Å; I197-K231 HydrophobicContact CD1-CD 3.73Å; I197-K231 HydrophobicContact CD1-CG 4.16Å
198D95.6Very high95.4Very high55 Ų5550 Ų5029%0.29425%0.246SC..THydrogen-bonded Turntrans-66.4-14.1169.255.3-76.6000113.2K196 I200 S226 K228 T229K196-D198 PolarHBondContact O-N 2.83Å; D198-I200 PolarHBondContact O-N 3.11Å; D198-S226 VanDerWaalsContact CG-OG 3.3Å; D198-S226 VanDerWaalsContact OD1-CB 3.25Å; D198-S226 WeakPolarHBondContact OD1-CB 3.38Å; D198-S226 PolarHBondContact OD1-OG 3.1Å; D198-K228 WeakPolarHBondContact OD2-CD 3.24Å; D198-K228 IonicContact OD2-NZ 3.67Å; D198-T229 HydrophobicContact CB-CG2 4.14Å
199T91.8Very high95.7Very high42 Ų4252.5 Ų52.526%0.25826%0.257SS..  trans-100.758.6-177.9-38.60000111.8T164 K196 I197 K201 D202 K203T164-T199 HydrophobicContact CG2-CG2 4.05Å; K196-T199 PolarHBondContact O-N 3.29Å; K196-T199 PolarHBondContact O-OG1 2.9Å; I197-T199 PolarHBondContact O-N 2.98Å; T199-K201 VanDerWaalsContact C-N 3.28Å; T199-K201 PolarHBondContact O-N 2.59Å; T199-D202 HydrophobicContact CG2-CB 3.86Å; T199-D202 WeakPolarHBondContact CG2-OD2 3.35Å; T199-D202 PolarHBondContact O-N 3.24Å; T199-K203 PolarHBondContact O-N 2.88Å
200I84.8Confident95.7Very high138 Ų13852.4 Ų52.471%0.70826%0.257SS*.G310 helixtrans-57.5-38.6-171.5-59.1173.2000112.7D198 D202 K203D198-I200 PolarHBondContact O-N 3.11Å; I200-D202 VanDerWaalsContact C-N 3.26Å; I200-D202 PolarHBondContact O-N 3.48Å; I200-K203 WeakPolarHBondContact O-CB 3.44Å; I200-K203 PolarHBondContact O-N 2.8Å
201K90.7Very high95.7Very high205 Ų20556.5 Ų56.589%0.89128%0.275SS*.G310 helixtrans-66.8-26.3-175.6-65.8-175.6179.6-178.40113.7T199T199-K201 VanDerWaalsContact C-N 3.28Å; T199-K201 PolarHBondContact O-N 2.59Å
202D89.4Confident95.7Very high98 Ų9861.4 Ų61.452%0.52430%0.298SS..G310 helixtrans-105.59.2-176-55-51.4000112T164 T199 I200 K204T164-D202 WeakPolarHBondContact CA-O 3.44Å; T164-D202 WeakPolarHBondContact CB-O 3.35Å; T164-D202 HydrophobicContact CG2-CB 3.84Å; T199-D202 HydrophobicContact CG2-CB 3.86Å; T199-D202 WeakPolarHBondContact CG2-OD2 3.35Å; T199-D202 PolarHBondContact O-N 3.24Å; I200-D202 VanDerWaalsContact C-N 3.26Å; I200-D202 PolarHBondContact O-N 3.48Å; D202-K204 PolarHBondContact O-N 3.05Å
203K94.1Very high95.7Very high69 Ų6961.8 Ų61.830%0.330%0.3SS..  trans-63.7117-178.7-175163.1179.5176.20110V163 T199 I200 V205 T207 E224V163-K203 HydrophobicContact CB-CG 4.2Å; V163-K203 HydrophobicContact CG2-CG 4.44Å; T199-K203 PolarHBondContact O-N 2.88Å; I200-K203 WeakPolarHBondContact O-CB 3.44Å; I200-K203 PolarHBondContact O-N 2.8Å; K203-V205 WeakPolarHBondContact CE-O 3.35Å; K203-V205 VanDerWaalsContact CG-O 3.24Å; K203-V205 WeakPolarHBondContact CG-O 3.3Å; K203-T207 PolarHBondContact NZ-OG1 2.87Å; K203-E224 IonicContact NZ-OE1 2.6Å; K203-E224 PolarHBondContact NZ-OE1 2.96Å
204K96.8Very high95.6Very high132 Ų13262.5 Ų62.557%0.57430%0.304SS*.  trans-102.5-23.1176.5-63-172.3-167.8153.90113V163 T164 M166 D202V163-K204 PolarHBondContact O-N 2.88Å; T164-K204 WeakPolarHBondContact O-CD 3.36Å; T164-K204 WeakPolarHBondContact O-CE 3.19Å; T164-K204 PolarHBondContact O-NZ 3.08Å; M166-K204 WeakPolarHBondContact CE-O 3.5Å; D202-K204 PolarHBondContact O-N 3.05Å
205V96.8Very high95.5Very high1 Ų167.2 Ų67.21%0.00634%0.337CS..SBendtrans-110.1121.1179.6-173.80000108.8Y161 V163 M166 F169 K203 Q209Y161-V205 HydrophobicContact CD2-CG2 4.5Å; Y161-V205 HydrophobicContact CE2-CB 3.92Å; Y161-V205 HydrophobicContact CE2-CG1 3.69Å; Y161-V205 HydrophobicContact CE2-CG2 4.21Å; V163-V205 PolarHBondContact O-N 2.9Å; V163-V205 VanDerWaalsContact O-N 3.09Å; M166-V205 HydrophobicContact CE-CG2 4.32Å; M166-V205 HydrophobicContact SD-CG2 3.91Å; F169-V205 HydrophobicContact CB-CG1 4.31Å; F169-V205 HydrophobicContact CB-CG2 3.74Å; F169-V205 HydrophobicContact CD1-CG1 4.02Å; F169-V205 HydrophobicContact CD1-CG2 4.41Å; F169-V205 HydrophobicContact CD2-CG1 3.7Å; F169-V205 HydrophobicContact CE1-CG1 4.24Å; F169-V205 HydrophobicContact CE2-CG1 3.91Å; F169-V205 HydrophobicContact CG-CG1 3.74Å; F169-V205 HydrophobicContact CG-CG2 4.05Å; F169-V205 HydrophobicContact CZ-CG1 4.18Å; K203-V205 WeakPolarHBondContact CE-O 3.35Å; K203-V205 VanDerWaalsContact CG-O 3.24Å; K203-V205 WeakPolarHBondContact CG-O 3.3Å; V205-Q209 HydrophobicContact CG1-CB 4.09Å
206S96.7Very high95.4Very high38 Ų3872 Ų7227%0.26636%0.359SS..  trans-75160-179.595.50000112.1E208 Q209 G210S206-E208 WeakPolarHBondContact CB-OE2 3.37Å; S206-E208 PolarHBondContact O-N 2.91Å; S206-E208 PolarHBondContact OG-N 3.06Å; S206-E208 PolarHBondContact OG-OE2 2.83Å; S206-Q209 PolarHBondContact O-N 3.1Å; S206-Q209 PolarHBondContact OG-N 3.49Å; S206-Q209 VanDerWaalsContact OG-N 3.15Å; S206-G210 PolarHBondContact O-N 3.48Å
207T97Very high95.3Very high29 Ų2973.1 Ų73.118%0.17837%0.365CS..Hα-helixtrans-63.7-37.3176.3-600000110.5K203 Q209 G210 Q211 F222 E224K203-T207 PolarHBondContact NZ-OG1 2.87Å; T207-Q209 PolarHBondContact O-N 2.85Å; T207-G210 PolarHBondContact O-N 3.15Å; T207-Q211 HydrophobicContact CG2-CG 4.47Å; T207-Q211 WeakPolarHBondContact O-CG 3.2Å; T207-Q211 PolarHBondContact O-N 3.48Å; T207-F222 HydrophobicContact CG2-CE1 4.16Å; T207-E224 WeakPolarHBondContact CG2-OE2 3.3Å; T207-E224 VanDerWaalsContact OG1-CD 3.28Å; T207-E224 PolarHBondContact OG1-OE1 3.13Å; T207-E224 PolarHBondContact OG1-OE2 3.33Å; T207-E224 VanDerWaalsContact OG1-OE2 3.11Å
208E97.7Very high95.1Very high121 Ų12175.8 Ų75.857%0.56539%0.391SS*.Hα-helixtrans-63.3-40.2178.2-55.871.2-154.200111.3S206 G210 Q211 Q212S206-E208 WeakPolarHBondContact CB-OE2 3.37Å; S206-E208 PolarHBondContact O-N 2.91Å; S206-E208 PolarHBondContact OG-N 3.06Å; S206-E208 PolarHBondContact OG-OE2 2.83Å; E208-G210 VanDerWaalsContact C-N 3.35Å; E208-G210 PolarHBondContact O-N 3.29Å; E208-Q211 PolarHBondContact O-N 3.05Å; E208-Q212 WeakPolarHBondContact O-CB 3.08Å; E208-Q212 PolarHBondContact O-N 3.36Å
209Q97.7Very high95.1Very high67 Ų6774 Ų7431%0.31338%0.384SS..Hα-helixtrans-61.6-43.1174.7-70.6179.5-61.600111.6F169 V205 S206 T207 L213F169-Q209 HydrophobicContact CE1-CB 4.31Å; F169-Q209 HydrophobicContact CZ-CB 3.98Å; V205-Q209 HydrophobicContact CG1-CB 4.09Å; S206-Q209 PolarHBondContact O-N 3.1Å; S206-Q209 PolarHBondContact OG-N 3.49Å; S206-Q209 VanDerWaalsContact OG-N 3.15Å; T207-Q209 PolarHBondContact O-N 2.85Å; Q209-L213 WeakPolarHBondContact O-CB 3.32Å; Q209-L213 PolarHBondContact O-N 3.32Å
210G97.3Very high95.4Very high1 Ų176.7 Ų76.71%0.0139%0.393CS..Hα-helixtrans-63.8-43.2176.300000113.3S206 T207 E208 L213 T214S206-G210 PolarHBondContact O-N 3.48Å; T207-G210 PolarHBondContact O-N 3.15Å; E208-G210 VanDerWaalsContact C-N 3.35Å; E208-G210 PolarHBondContact O-N 3.29Å; G210-L213 PolarHBondContact O-N 3.05Å; G210-T214 PolarHBondContact O-N 3.22Å; G210-T214 VanDerWaalsContact O-N 3.07Å; G210-T214 PolarHBondContact O-OG1 2.79Å
211Q97.6Very high95.9Very high100 Ų10070.8 Ų70.847%0.46737%0.366SS..Hα-helixtrans-66.1-45.4175.7-71173.5-16.800111.8T207 E208 L213 T214 S215 F222T207-Q211 HydrophobicContact CG2-CG 4.47Å; T207-Q211 WeakPolarHBondContact O-CG 3.2Å; T207-Q211 PolarHBondContact O-N 3.48Å; E208-Q211 PolarHBondContact O-N 3.05Å; Q211-L213 VanDerWaalsContact C-N 3.31Å; Q211-L213 PolarHBondContact O-N 3.44Å; Q211-T214 WeakPolarHBondContact O-CB 3.35Å; Q211-T214 PolarHBondContact O-N 3.22Å; Q211-T214 VanDerWaalsContact O-N 3.14Å; Q211-S215 PolarHBondContact O-N 3.09Å; Q211-S215 PolarHBondContact O-OG 3.05Å; Q211-F222 HydrophobicContact CG-CD1 3.8Å; Q211-F222 HydrophobicContact CG-CE1 4Å
212Q98.1Very high96.3Very high109 Ų10963 Ų6351%0.50933%0.332SS..Hα-helixtrans-60.4-42.1177.1-175.5-178.115.100111.4E208 T214 S215 Q216E208-Q212 WeakPolarHBondContact O-CB 3.08Å; E208-Q212 PolarHBondContact O-N 3.36Å; Q212-T214 VanDerWaalsContact C-N 3.35Å; Q212-S215 PolarHBondContact O-N 3.34Å; Q212-Q216 HydrophobicContact CG-CG 4.38Å; Q212-Q216 VanDerWaalsContact NE2-NE2 3.16Å; Q212-Q216 VanDerWaalsContact O-CB 3.28Å; Q212-Q216 WeakPolarHBondContact O-CB 3.4Å; Q212-Q216 VanDerWaalsContact O-CG 3.23Å; Q212-Q216 WeakPolarHBondContact O-CG 3.43Å; Q212-Q216 PolarHBondContact O-N 3.48Å
213L97.2Very high96.7Very high9 Ų960 Ų605%0.04732%0.315CS..Hα-helixtrans-57.9-48.3174177.868.6000111.1F169 I172 R173 F192 Q209 G210 Q211 Q216 Q217F169-L213 HydrophobicContact CD2-CD2 4.11Å; F169-L213 HydrophobicContact CE2-CB 4.13Å; F169-L213 HydrophobicContact CE2-CD2 3.45Å; F169-L213 VanDerWaalsContact CE2-CD2 3.45Å; F169-L213 HydrophobicContact CE2-CG 4.36Å; F169-L213 HydrophobicContact CZ-CB 4.01Å; F169-L213 HydrophobicContact CZ-CD2 3.93Å; F169-L213 HydrophobicContact CZ-CG 4.44Å; I172-L213 HydrophobicContact CB-CD2 4.21Å; I172-L213 HydrophobicContact CD1-CD2 3.64Å; I172-L213 HydrophobicContact CG2-CD2 3.99Å; R173-L213 HydrophobicContact CG-CD1 3.7Å; R173-L213 VanDerWaalsContact CZ-CD1 3.41Å; F192-L213 HydrophobicContact CD2-CD2 3.91Å; F192-L213 HydrophobicContact CD2-CG 3.94Å; F192-L213 HydrophobicContact CE2-CD2 4.01Å; F192-L213 HydrophobicContact CE2-CG 3.71Å; Q209-L213 WeakPolarHBondContact O-CB 3.32Å; Q209-L213 PolarHBondContact O-N 3.32Å; G210-L213 PolarHBondContact O-N 3.05Å; Q211-L213 VanDerWaalsContact C-N 3.31Å; Q211-L213 PolarHBondContact O-N 3.44Å; L213-Q216 PolarHBondContact O-N 2.97Å; L213-Q217 HydrophobicContact CD1-CG 4.11Å; L213-Q217 WeakPolarHBondContact O-CG 3.4Å; L213-Q217 PolarHBondContact O-N 3.42Å
214T96.9Very high97Very high14 Ų1459 Ų599%0.08631%0.311CS..Hα-helixtrans-57.2-50.5178.9-56.10000111.4F192 G210 Q211 Q212 Q217 A218 A219 F222F192-T214 WeakPolarHBondContact CD2-OG1 3.47Å; G210-T214 PolarHBondContact O-N 3.22Å; G210-T214 VanDerWaalsContact O-N 3.07Å; G210-T214 PolarHBondContact O-OG1 2.79Å; Q211-T214 WeakPolarHBondContact O-CB 3.35Å; Q211-T214 PolarHBondContact O-N 3.22Å; Q211-T214 VanDerWaalsContact O-N 3.14Å; Q212-T214 VanDerWaalsContact C-N 3.35Å; T214-Q217 PolarHBondContact O-N 3.35Å; T214-A218 PolarHBondContact O-N 3.42Å; T214-A218 VanDerWaalsContact O-N 3.08Å; T214-A219 HydrophobicContact CG2-CB 3.86Å; T214-A219 PolarHBondContact O-N 3.19Å; T214-F222 HydrophobicContact CG2-CB 4.05Å; T214-F222 WeakPolarHBondContact OG1-CB 3.38Å
215S96.6Very high97Very high100 Ų10052.7 Ų52.770%0.69928%0.284SS*.Hα-helixtrans-63.4-43.6178.2-56.10000112.4Q211 Q212 Q217 A218Q211-S215 PolarHBondContact O-N 3.09Å; Q211-S215 PolarHBondContact O-OG 3.05Å; Q212-S215 PolarHBondContact O-N 3.34Å; S215-Q217 VanDerWaalsContact C-N 3.25Å; S215-Q217 PolarHBondContact O-N 3.2Å; S215-A218 PolarHBondContact O-N 2.82Å
216Q96.6Very high97.1Very high101 Ų10152.6 Ų52.647%0.47228%0.283SS..Hα-helixtrans-67.5-23-179.3-771771.400113.7R173 Q212 L213R173-Q216 VanDerWaalsContact CZ-OE1 3.23Å; Q212-Q216 HydrophobicContact CG-CG 4.38Å; Q212-Q216 VanDerWaalsContact NE2-NE2 3.16Å; Q212-Q216 VanDerWaalsContact O-CB 3.28Å; Q212-Q216 WeakPolarHBondContact O-CB 3.4Å; Q212-Q216 VanDerWaalsContact O-CG 3.23Å; Q212-Q216 WeakPolarHBondContact O-CG 3.43Å; Q212-Q216 PolarHBondContact O-N 3.48Å; L213-Q216 PolarHBondContact O-N 2.97Å
217Q94.7Very high97Very high85 Ų8551.1 Ų51.140%0.39727%0.273SS..THydrogen-bonded Turntrans-106.95.8179.3-58.4-60-81.500112.7L177 F192 L213 T214 S215 A219L177-Q217 HydrophobicContact CD1-CB 4.27Å; L177-Q217 HydrophobicContact CD1-CG 3.8Å; F192-Q217 HydrophobicContact CE2-CB 4.09Å; F192-Q217 HydrophobicContact CE2-CG 4.37Å; F192-Q217 HydrophobicContact CZ-CB 4.06Å; F192-Q217 HydrophobicContact CZ-CG 4.37Å; L213-Q217 HydrophobicContact CD1-CG 4.11Å; L213-Q217 WeakPolarHBondContact O-CG 3.4Å; L213-Q217 PolarHBondContact O-N 3.42Å; T214-Q217 PolarHBondContact O-N 3.35Å; S215-Q217 VanDerWaalsContact C-N 3.25Å; S215-Q217 PolarHBondContact O-N 3.2Å; Q217-A219 PolarHBondContact O-N 3.24Å; Q217-A219 VanDerWaalsContact O-N 3.16Å
218A94.2Very high97Very high77 Ų7755.1 Ų55.164%0.63629%0.288SS*.THydrogen-bonded Turntrans49.138.6-174.700000113T214 S215T214-A218 PolarHBondContact O-N 3.42Å; T214-A218 VanDerWaalsContact O-N 3.08Å; S215-A218 PolarHBondContact O-N 2.82Å
219A95.2Very high96.8Very high18 Ų1853.7 Ų53.715%0.14929%0.288CS..  trans-69.5149.3176.100000110.4V190 F192 T214 Q217 G221V190-A219 CarbonylContact O-C 3.57Å; F192-A219 HydrophobicContact CD2-CB 3.91Å; F192-A219 HydrophobicContact CE1-CB 4.33Å; F192-A219 HydrophobicContact CE2-CB 3.58Å; F192-A219 HydrophobicContact CG-CB 4.39Å; F192-A219 HydrophobicContact CZ-CB 3.81Å; T214-A219 HydrophobicContact CG2-CB 3.86Å; T214-A219 PolarHBondContact O-N 3.19Å; Q217-A219 PolarHBondContact O-N 3.24Å; Q217-A219 VanDerWaalsContact O-N 3.16Å; A219-G221 VanDerWaalsContact C-N 3.28Å; A219-G221 PolarHBondContact O-N 3.44Å
220H96.9Very high96.8Very high99 Ų9952.2 Ų52.246%0.45829%0.291SS..SBendtrans-78.6-12.9-170.9-67.157000112.9P189 V190 F191P189-H220 HydrophobicContact CB-CB 4.48Å; V190-H220 PolarHBondContact O-N 3.21Å; F191-H220 HydrophobicContact CD2-CB 4.36Å; F191-H220 HydrophobicContact CE1-CB 4.47Å; F191-H220 HydrophobicContact CE2-CB 3.88Å; F191-H220 HydrophobicContact CZ-CB 3.95Å
221G96.7Very high96.8Very high14 Ų1457.8 Ų57.814%0.14432%0.315CS..EExtended strand (participates in β ladder)trans-175.6160.3173.100000113.7F191 F192 A219F191-G221 WeakPolarHBondContact CA-O 3.28Å; F192-G221 PolarHBondContact N-O 3.42Å; A219-G221 VanDerWaalsContact C-N 3.28Å; A219-G221 PolarHBondContact O-N 3.44Å
222F98.4Very high96.8Very high40 Ų4055.4 Ų55.418%0.17531%0.305CS..EExtended strand (participates in β ladder)trans-129.2127.2175.4176.4-109.6000109.7Y161 F192 A194 T207 Q211 T214 E224Y161-F222 HydrophobicContact CE1-CE2 4.2Å; F192-F222 HydrophobicContact CB-CD2 4.16Å; F192-F222 WeakPolarHBondContact O-CA 3.39Å; A194-F222 HydrophobicContact CB-CE2 3.79Å; A194-F222 HydrophobicContact CB-CZ 3.74Å; T207-F222 HydrophobicContact CG2-CE1 4.16Å; Q211-F222 HydrophobicContact CG-CD1 3.8Å; Q211-F222 HydrophobicContact CG-CE1 4Å; T214-F222 HydrophobicContact CG2-CB 4.05Å; T214-F222 WeakPolarHBondContact OG1-CB 3.38Å; F222-E224 HydrophobicContact CE1-CG 3.87Å; F222-E224 HydrophobicContact CZ-CG 3.91Å
223F98.6Very high96.8Very high37 Ų3750.3 Ų50.316%0.16228%0.282CS..EExtended strand (participates in β ladder)trans-128.5127.5179.3-71.5-96.8000111.3F191 F192 V193 A194 T225 N235 L236 A239F191-F223 HydrophobicContact CD1-CD2 4.15Å; F191-F223 AromaticContact CD1-CE2 3.78Å; F191-F223 HydrophobicContact CD1-CE2 3.78Å; F191-F223 AromaticContact CE1-CE2 3.97Å; F191-F223 HydrophobicContact CE1-CE2 3.97Å; F192-F223 PolarHBondContact O-N 2.89Å; V193-F223 CarbonylContact C-O 3.56Å; V193-F223 WeakPolarHBondContact CA-O 3.48Å; V193-F223 HydrophobicContact CG2-CB 4.49Å; A194-F223 PolarHBondContact N-O 3.41Å; F223-T225 HydrophobicContact CB-CG2 4.03Å; F223-N235 HydrophobicContact CE1-CB 4.28Å; F223-L236 HydrophobicContact CB-CB 4.42Å; F223-L236 HydrophobicContact CB-CD1 4.16Å; F223-L236 HydrophobicContact CD1-CB 4.05Å; F223-L236 HydrophobicContact CD2-CB 4.48Å; F223-L236 HydrophobicContact CD2-CD1 3.53Å; F223-L236 HydrophobicContact CE1-CB 4.49Å; F223-L236 HydrophobicContact CE2-CD1 4.08Å; F223-L236 HydrophobicContact CG-CB 4.05Å; F223-L236 HydrophobicContact CG-CD1 3.83Å; F223-A239 HydrophobicContact CE1-CB 4.36Å; F223-A239 HydrophobicContact CE2-CB 4.03Å; F223-A239 HydrophobicContact CZ-CB 3.43Å; F223-A239 VanDerWaalsContact CZ-CB 3.43Å
224E98.5Very high96.8Very high46 Ų4654.6 Ų54.622%0.21530%0.301CS..EExtended strand (participates in β ladder)trans-86.2114.8163.9-80.3-161113.600108.9A194 I197 K203 T207 F222 N232A194-E224 HydrophobicContact CB-CG 3.96Å; A194-E224 CarbonylContact O-C 3.57Å; A194-E224 WeakPolarHBondContact O-CA 3.16Å; I197-E224 HydrophobicContact CD1-CB 3.94Å; I197-E224 WeakPolarHBondContact CD1-O 3.41Å; I197-E224 HydrophobicContact CG2-CB 3.86Å; I197-E224 HydrophobicContact CG2-CG 4.13Å; K203-E224 IonicContact NZ-OE1 2.6Å; K203-E224 PolarHBondContact NZ-OE1 2.96Å; T207-E224 WeakPolarHBondContact CG2-OE2 3.3Å; T207-E224 VanDerWaalsContact OG1-CD 3.28Å; T207-E224 PolarHBondContact OG1-OE1 3.13Å; T207-E224 PolarHBondContact OG1-OE2 3.33Å; T207-E224 VanDerWaalsContact OG1-OE2 3.11Å; F222-E224 HydrophobicContact CE1-CG 3.87Å; F222-E224 HydrophobicContact CZ-CG 3.91Å; E224-N232 VanDerWaalsContact O-CB 3.3Å; E224-N232 WeakPolarHBondContact O-CB 3.5Å; E224-N232 PolarHBondContact O-ND2 2.77Å
225T98.4Very high96.9Very high0 Ų058.4 Ų58.40%032%0.321CS..  trans-122.2156.4-175.465.90000112.8V193 A194 N195 K196 I197 F223 K231 N232 I233 L236V193-T225 HydrophobicContact CG1-CG2 3.71Å; V193-T225 WeakPolarHBondContact CG1-OG1 3.18Å; A194-T225 PolarHBondContact O-N 3.02Å; N195-T225 CarbonylContact C-O 3.57Å; N195-T225 VanDerWaalsContact CA-O 3.31Å; N195-T225 WeakPolarHBondContact CA-O 3.44Å; N195-T225 PolarHBondContact OD1-O 3.46Å; N195-T225 PolarHBondContact OD1-OG1 3.49Å; N195-T225 VanDerWaalsContact OD1-OG1 3.05Å; K196-T225 PolarHBondContact N-O 2.77Å; I197-T225 WeakPolarHBondContact CG1-O 3.12Å; I197-T225 PolarHBondContact N-O 2.86Å; F223-T225 HydrophobicContact CB-CG2 4.03Å; T225-K231 WeakPolarHBondContact CA-O 3.39Å; T225-N232 HydrophobicContact CG2-CB 4.09Å; T225-I233 HydrophobicContact CG2-CD1 4.28Å; T225-L236 HydrophobicContact CG2-CD2 4.33Å
226S97.5Very high97Very high0 Ų053.6 Ų53.60%029%0.288CS..BIsolated β-bridgetrans-133.4106.7164.4164.20000108.8D198 K228 T229 G230 K231D198-S226 VanDerWaalsContact CG-OG 3.3Å; D198-S226 VanDerWaalsContact OD1-CB 3.25Å; D198-S226 WeakPolarHBondContact OD1-CB 3.38Å; D198-S226 PolarHBondContact OD1-OG 3.1Å; S226-K228 PolarHBondContact O-N 3.33Å; S226-K228 PolarHBondContact OG-N 3.29Å; S226-T229 WeakPolarHBondContact CB-OG1 2.89Å; S226-T229 PolarHBondContact O-N 2.9Å; S226-T229 PolarHBondContact OG-N 2.71Å; S226-T229 VanDerWaalsContact OG-N 3.11Å; S226-T229 PolarHBondContact OG-OG1 3.03Å; S226-G230 CarbonylContact O-C 3.55Å; S226-G230 WeakPolarHBondContact O-CA 3.27Å; S226-G230 PolarHBondContact O-N 3.01Å; S226-K231 PolarHBondContact N-O 3.22Å; S226-K231 VanDerWaalsContact N-O 3.12Å; S226-K231 PolarHBondContact O-N 3.24Å
227A96.2Very high97Very high7 Ų748.8 Ų48.86%0.05827%0.265CS..THydrogen-bonded Turntrans-58.8-27.3172.600000112.6I97 F106 N195I97-A227 HydrophobicContact CG1-CB 4.04Å; F106-A227 HydrophobicContact CE2-CB 4.43Å; N195-A227 PolarHBondContact OD1-N 2.94Å
228K95.4Very high97.2Very high112 Ų11247.4 Ų47.449%0.48726%0.258SS..THydrogen-bonded Turntrans-68.9-42.5177.4-176.2-175.1-175.1177.20112.7F106 D198 S226F106-K228 HydrophobicContact CD1-CB 4.16Å; F106-K228 HydrophobicContact CD1-CG 3.81Å; F106-K228 HydrophobicContact CD2-CB 4.2Å; F106-K228 HydrophobicContact CE1-CB 4.07Å; F106-K228 HydrophobicContact CE1-CD 4.39Å; F106-K228 HydrophobicContact CE1-CG 3.86Å; F106-K228 HydrophobicContact CE2-CB 4.11Å; F106-K228 HydrophobicContact CG-CB 4.22Å; F106-K228 HydrophobicContact CG-CG 4.24Å; F106-K228 HydrophobicContact CZ-CB 4.04Å; F106-K228 HydrophobicContact CZ-CG 4.34Å; D198-K228 WeakPolarHBondContact OD2-CD 3.24Å; D198-K228 IonicContact OD2-NZ 3.67Å; S226-K228 PolarHBondContact O-N 3.33Å; S226-K228 PolarHBondContact OG-N 3.29Å
229T95.2Very high97.4Very high92 Ų9244.7 Ų44.756%0.56424%0.236SC*.THydrogen-bonded Turntrans-98.4-10.6-176.3620000113.2D198 S226 K231D198-T229 HydrophobicContact CB-CG2 4.14Å; S226-T229 WeakPolarHBondContact CB-OG1 2.89Å; S226-T229 PolarHBondContact O-N 2.9Å; S226-T229 PolarHBondContact OG-N 2.71Å; S226-T229 VanDerWaalsContact OG-N 3.11Å; S226-T229 PolarHBondContact OG-OG1 3.03Å; T229-K231 PolarHBondContact O-N 2.74Å; T229-K231 WeakPolarHBondContact OG1-CB 3.18Å; T229-K231 PolarHBondContact OG1-N 2.91Å
230G96Very high97.5Very high36 Ų3643.9 Ų43.937%0.37123%0.229SC..THydrogen-bonded Turntrans77.3-0.3-17100000114S226 N232 I233S226-G230 CarbonylContact O-C 3.55Å; S226-G230 WeakPolarHBondContact O-CA 3.27Å; S226-G230 PolarHBondContact O-N 3.01Å; G230-N232 PolarHBondContact O-N 3.03Å; G230-I233 WeakPolarHBondContact O-CG1 3.46Å; G230-I233 PolarHBondContact O-N 3.07Å
231K97.6Very high97.5Very high118 Ų11839.1 Ų39.151%0.51321%0.208SC..BIsolated β-bridgetrans-58.1127.5-176.2-178.8167.7171.8-176.80111.1I197 T225 S226 T229 I233I197-K231 HydrophobicContact CD1-CD 3.73Å; I197-K231 HydrophobicContact CD1-CG 4.16Å; T225-K231 WeakPolarHBondContact CA-O 3.39Å; S226-K231 PolarHBondContact N-O 3.22Å; S226-K231 VanDerWaalsContact N-O 3.12Å; S226-K231 PolarHBondContact O-N 3.24Å; T229-K231 PolarHBondContact O-N 2.74Å; T229-K231 WeakPolarHBondContact OG1-CB 3.18Å; T229-K231 PolarHBondContact OG1-N 2.91Å; K231-I233 PolarHBondContact O-N 3.39Å; K231-I233 VanDerWaalsContact O-N 3.12Å
232N98Very high97.6Very high50 Ų5042.9 Ų42.927%0.26722%0.221SC..THydrogen-bonded Turntrans59.48.6179.4-72.3-26.3000116.6E224 T225 G230 N235 L236E224-N232 VanDerWaalsContact O-CB 3.3Å; E224-N232 WeakPolarHBondContact O-CB 3.5Å; E224-N232 PolarHBondContact O-ND2 2.77Å; T225-N232 HydrophobicContact CG2-CB 4.09Å; G230-N232 PolarHBondContact O-N 3.03Å; N232-N235 PolarHBondContact O-N 2.82Å; N232-N235 PolarHBondContact OD1-ND2 2.77Å; N232-N235 VanDerWaalsContact OD1-ND2 3.09Å; N232-L236 WeakPolarHBondContact O-CB 3.43Å; N232-L236 PolarHBondContact O-N 3.29Å
233I98Very high97.5Very high2 Ų241.9 Ų41.91%0.0122%0.219CC..Hα-helixtrans-66.1-50179.8-57.5-66.2000110.7I97 A100 L101 T225 G230 K231 N235 L236 F237I97-I233 HydrophobicContact CB-CD1 4.31Å; I97-I233 HydrophobicContact CG1-CD1 3.98Å; I97-I233 HydrophobicContact CG2-CD1 4.06Å; A100-I233 HydrophobicContact CB-CD1 4.49Å; A100-I233 HydrophobicContact CB-CG1 4.05Å; A100-I233 HydrophobicContact CB-CG2 4.26Å; L101-I233 HydrophobicContact CB-CG2 3.84Å; T225-I233 HydrophobicContact CG2-CD1 4.28Å; G230-I233 WeakPolarHBondContact O-CG1 3.46Å; G230-I233 PolarHBondContact O-N 3.07Å; K231-I233 PolarHBondContact O-N 3.39Å; K231-I233 VanDerWaalsContact O-N 3.12Å; I233-N235 PolarHBondContact O-N 3.24Å; I233-L236 PolarHBondContact O-N 3.18Å; I233-F237 HydrophobicContact CG2-CD2 4.24Å; I233-F237 HydrophobicContact CG2-CE2 4.2Å; I233-F237 VanDerWaalsContact O-CD2 3.3Å; I233-F237 WeakPolarHBondContact O-CD2 3.2Å; I233-F237 PolarHBondContact O-N 3.41Å
234Q97.4Very high97.3Very high99 Ų9940.1 Ų40.146%0.46321%0.212SC..Hα-helixtrans-63.3-42.4177.2-64.4-60.7-26.800111.8L101 L236 F237 Q238L101-Q234 PolarHBondContact O-NE2 2.54Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; Q234-L236 PolarHBondContact O-N 3.33Å; Q234-F237 PolarHBondContact O-N 3.37Å; Q234-Q238 VanDerWaalsContact O-CB 3.3Å; Q234-Q238 WeakPolarHBondContact O-CB 3.21Å; Q234-Q238 PolarHBondContact O-N 3.29Å
235N98.1Very high97.1Very high93 Ų9338.9 Ų38.950%0.49721%0.207SC..Hα-helixtrans-60.7-41.5179.3-62.5-13.9000112.1F223 N232 I233 A239F223-N235 HydrophobicContact CE1-CB 4.28Å; N232-N235 PolarHBondContact O-N 2.82Å; N232-N235 PolarHBondContact OD1-ND2 2.77Å; N232-N235 VanDerWaalsContact OD1-ND2 3.09Å; I233-N235 PolarHBondContact O-N 3.24Å; N235-A239 WeakPolarHBondContact O-CB 3.37Å; N235-A239 PolarHBondContact O-N 2.67Å
236L98.6Very high96.8Very high0 Ų042.8 Ų42.80%023%0.234CC..Hα-helixtrans-57.1-54.3175166.964000111.1I158 V193 F223 T225 N232 I233 Q234 A239 V240I158-L236 HydrophobicContact CG2-CD2 4.43Å; V193-L236 HydrophobicContact CG1-CD2 4.34Å; V193-L236 HydrophobicContact CG2-CD1 3.74Å; V193-L236 HydrophobicContact CG2-CD2 3.65Å; V193-L236 HydrophobicContact CG2-CG 4.36Å; F223-L236 HydrophobicContact CB-CB 4.42Å; F223-L236 HydrophobicContact CB-CD1 4.16Å; F223-L236 HydrophobicContact CD1-CB 4.05Å; F223-L236 HydrophobicContact CD2-CB 4.48Å; F223-L236 HydrophobicContact CD2-CD1 3.53Å; F223-L236 HydrophobicContact CE1-CB 4.49Å; F223-L236 HydrophobicContact CE2-CD1 4.08Å; F223-L236 HydrophobicContact CG-CB 4.05Å; F223-L236 HydrophobicContact CG-CD1 3.83Å; T225-L236 HydrophobicContact CG2-CD2 4.33Å; N232-L236 WeakPolarHBondContact O-CB 3.43Å; N232-L236 PolarHBondContact O-N 3.29Å; I233-L236 PolarHBondContact O-N 3.18Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; Q234-L236 PolarHBondContact O-N 3.33Å; L236-A239 PolarHBondContact O-N 3.38Å; L236-V240 HydrophobicContact CD1-CG2 4.27Å; L236-V240 VanDerWaalsContact O-CG2 3.3Å; L236-V240 WeakPolarHBondContact O-CG2 3.36Å; L236-V240 PolarHBondContact O-N 3.47Å
237F98.3Very high96.6Very high0 Ų045.9 Ų45.90%025%0.253CS..Hα-helixtrans-74.3-27.6-175.1-72.6-80.6000113.1L86 I97 L101 F123 L132 V134 I158 I233 Q234 V240 A241L86-F237 HydrophobicContact CD1-CE1 4.4Å; L86-F237 HydrophobicContact CD1-CZ 4.37Å; I97-F237 HydrophobicContact CG2-CE2 3.71Å; I97-F237 HydrophobicContact CG2-CZ 3.99Å; L101-F237 HydrophobicContact CB-CD2 4.21Å; L101-F237 HydrophobicContact CB-CE2 4.04Å; L101-F237 HydrophobicContact CD1-CB 4.16Å; L101-F237 HydrophobicContact CD1-CD2 3.72Å; L101-F237 HydrophobicContact CD1-CE2 4.4Å; L101-F237 HydrophobicContact CD1-CG 4.09Å; L101-F237 HydrophobicContact CD2-CD1 4.05Å; L101-F237 HydrophobicContact CD2-CD2 3.71Å; L101-F237 HydrophobicContact CD2-CE1 4.13Å; L101-F237 HydrophobicContact CD2-CE2 3.8Å; L101-F237 HydrophobicContact CD2-CG 3.84Å; L101-F237 HydrophobicContact CD2-CZ 4.01Å; L101-F237 HydrophobicContact CG-CD2 4.06Å; L101-F237 HydrophobicContact CG-CE2 4.27Å; F123-F237 HydrophobicContact CE1-CB 3.66Å; F123-F237 HydrophobicContact CE2-CB 3.96Å; F123-F237 HydrophobicContact CZ-CB 3.24Å; F123-F237 HydrophobicContact CZ-CG 4.2Å; L132-F237 HydrophobicContact CD1-CB 4.41Å; L132-F237 HydrophobicContact CD1-CD1 4.21Å; V134-F237 HydrophobicContact CB-CE1 4.39Å; V134-F237 HydrophobicContact CG1-CE1 3.72Å; V134-F237 HydrophobicContact CG1-CZ 4.06Å; V134-F237 HydrophobicContact CG2-CD1 4.08Å; V134-F237 HydrophobicContact CG2-CE1 3.7Å; I158-F237 HydrophobicContact CD1-CD1 4.25Å; I158-F237 HydrophobicContact CD1-CE1 3.74Å; I158-F237 HydrophobicContact CD1-CZ 4.28Å; I233-F237 HydrophobicContact CG2-CD2 4.24Å; I233-F237 HydrophobicContact CG2-CE2 4.2Å; I233-F237 VanDerWaalsContact O-CD2 3.3Å; I233-F237 WeakPolarHBondContact O-CD2 3.2Å; I233-F237 PolarHBondContact O-N 3.41Å; Q234-F237 PolarHBondContact O-N 3.37Å; F237-V240 PolarHBondContact O-N 2.88Å; F237-A241 WeakPolarHBondContact O-CB 3.38Å; F237-A241 PolarHBondContact O-N 3.17Å
238Q98.1Very high96.4Very high55 Ų5549.5 Ų49.526%0.25727%0.265SS..Hα-helixtrans-62.4-48.8169.2-179.464.429.800110.8F123 T124 Q234 V240 A241 E242F123-Q238 HydrophobicContact CD1-CB 4.39Å; T124-Q238 PolarHBondContact O-NE2 3.1Å; Q234-Q238 VanDerWaalsContact O-CB 3.3Å; Q234-Q238 WeakPolarHBondContact O-CB 3.21Å; Q234-Q238 PolarHBondContact O-N 3.29Å; Q238-V240 VanDerWaalsContact C-N 3.31Å; Q238-V240 PolarHBondContact O-N 3.25Å; Q238-A241 WeakPolarHBondContact O-CB 3.28Å; Q238-A241 PolarHBondContact O-N 3.27Å; Q238-A241 VanDerWaalsContact O-N 3.12Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.2Å; Q238-E242 PolarHBondContact NE2-OE1 2.97Å; Q238-E242 WeakPolarHBondContact O-CG 3.44Å; Q238-E242 PolarHBondContact O-N 3.46Å
239A98.3Very high96Very high21 Ų2145.8 Ų45.817%0.17426%0.259CS..Hα-helixtrans-63.8-35.6177.400000112.6F191 F223 N235 L236 E242 C243F191-A239 HydrophobicContact CE1-CB 4.43Å; F223-A239 HydrophobicContact CE1-CB 4.36Å; F223-A239 HydrophobicContact CE2-CB 4.03Å; F223-A239 HydrophobicContact CZ-CB 3.43Å; F223-A239 VanDerWaalsContact CZ-CB 3.43Å; N235-A239 WeakPolarHBondContact O-CB 3.37Å; N235-A239 PolarHBondContact O-N 2.67Å; L236-A239 PolarHBondContact O-N 3.38Å; A239-E242 PolarHBondContact O-N 3.23Å; A239-C243 VanDerWaalsContact O-CB 3.25Å; A239-C243 WeakPolarHBondContact O-CB 3.15Å; A239-C243 PolarHBondContact O-N 3.5Å
240V98Very high95.1Very high0 Ų042.5 Ų42.50%024%0.241CC..Hα-helixtrans-62.5-46.7171.7169.80000110.5V84 L132 C156 I158 F191 L236 F237 Q238 E242 C243 M244V84-V240 HydrophobicContact CG1-CG1 4.31Å; V84-V240 HydrophobicContact CG2-CG1 3.96Å; L132-V240 HydrophobicContact CD1-CB 4.36Å; L132-V240 HydrophobicContact CD1-CG1 3.97Å; C156-V240 HydrophobicContact CB-CG1 4.41Å; I158-V240 HydrophobicContact CD1-CG2 3.97Å; I158-V240 HydrophobicContact CG1-CG2 4.28Å; F191-V240 HydrophobicContact CD1-CG2 4.3Å; F191-V240 HydrophobicContact CD2-CG2 3.84Å; F191-V240 HydrophobicContact CE1-CG2 4.35Å; F191-V240 HydrophobicContact CE2-CG2 3.9Å; F191-V240 HydrophobicContact CG-CG2 4.05Å; F191-V240 HydrophobicContact CZ-CG2 4.16Å; L236-V240 HydrophobicContact CD1-CG2 4.27Å; L236-V240 VanDerWaalsContact O-CG2 3.3Å; L236-V240 WeakPolarHBondContact O-CG2 3.36Å; L236-V240 PolarHBondContact O-N 3.47Å; F237-V240 PolarHBondContact O-N 2.88Å; Q238-V240 VanDerWaalsContact C-N 3.31Å; Q238-V240 PolarHBondContact O-N 3.25Å; V240-E242 PolarHBondContact O-N 2.73Å; V240-C243 PolarHBondContact O-N 3.46Å; V240-M244 HydrophobicContact CG1-CG 4.43Å; V240-M244 VanDerWaalsContact O-CG 3.28Å; V240-M244 WeakPolarHBondContact O-CG 3.46Å; V240-M244 PolarHBondContact O-N 3.26Å
241A97.4Very high93.8Very high0 Ų044.4 Ų44.40%025%0.247CC..Hα-helixtrans-61.2-43.7177.700000112.2F123 V125 V130 L132 F237 Q238 M244 V245F123-A241 HydrophobicContact CB-CB 3.73Å; F123-A241 HydrophobicContact CD2-CB 4.35Å; F123-A241 HydrophobicContact CG-CB 4.07Å; V125-A241 HydrophobicContact CG2-CB 3.66Å; V130-A241 HydrophobicContact CB-CB 4.42Å; V130-A241 HydrophobicContact CG1-CB 4.26Å; L132-A241 HydrophobicContact CD1-CB 4.16Å; L132-A241 HydrophobicContact CD2-CB 4.39Å; L132-A241 HydrophobicContact CG-CB 4.39Å; F237-A241 WeakPolarHBondContact O-CB 3.38Å; F237-A241 PolarHBondContact O-N 3.17Å; Q238-A241 WeakPolarHBondContact O-CB 3.28Å; Q238-A241 PolarHBondContact O-N 3.27Å; Q238-A241 VanDerWaalsContact O-N 3.12Å; A241-M244 PolarHBondContact O-N 2.99Å; A241-V245 WeakPolarHBondContact O-CG2 3.3Å; A241-V245 PolarHBondContact O-N 3.32Å
242E97Very high92.3Very high92 Ų9243.8 Ų43.843%0.4325%0.245SC..Hα-helixtrans-59.6-46.5174.8-73.5164.5-173.800111.6V125 Q238 A239 V240 M244 V245 S246V125-E242 HydrophobicContact CG1-CB 4.43Å; V125-E242 HydrophobicContact CG1-CG 3.9Å; V125-E242 HydrophobicContact CG2-CG 4.04Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.2Å; Q238-E242 PolarHBondContact NE2-OE1 2.97Å; Q238-E242 WeakPolarHBondContact O-CG 3.44Å; Q238-E242 PolarHBondContact O-N 3.46Å; A239-E242 PolarHBondContact O-N 3.23Å; V240-E242 PolarHBondContact O-N 2.73Å; E242-M244 VanDerWaalsContact C-N 3.32Å; E242-M244 PolarHBondContact O-N 3.26Å; E242-V245 PolarHBondContact O-N 3.18Å; E242-S246 WeakPolarHBondContact O-CB 3.46Å; E242-S246 PolarHBondContact O-N 3.18Å
243C96.7Very high90.8Very high20 Ų2043.3 Ų43.314%0.13524%0.239CC..Hα-helixtrans-61.4-39.8175.8-179.80000112.1F191 A239 V240 S246 T247F191-C243 HydrophobicContact CE2-CB 4.02Å; F191-C243 HydrophobicContact CZ-CB 3.71Å; A239-C243 VanDerWaalsContact O-CB 3.25Å; A239-C243 WeakPolarHBondContact O-CB 3.15Å; A239-C243 PolarHBondContact O-N 3.5Å; V240-C243 PolarHBondContact O-N 3.46Å; C243-S246 PolarHBondContact O-N 2.98Å; C243-T247 VanDerWaalsContact O-CB 3.26Å; C243-T247 WeakPolarHBondContact O-CB 3.34Å; C243-T247 PolarHBondContact O-N 2.65Å; C243-T247 PolarHBondContact O-OG1 2.78Å
244M94.7Very high89.1Confident0 Ų050.7 Ų50.70%027%0.267CS..Hα-helixtrans-63.2-45.8176.7-69.5-55.293.500112.1F82 L132 K155 C156 P189 V240 A241 E242 T247 W248F82-M244 HydrophobicContact CB-CB 4.43Å; F82-M244 HydrophobicContact CB-CG 3.98Å; F82-M244 HydrophobicContact CB-SD 4.27Å; F82-M244 HydrophobicContact CD1-CB 4.39Å; F82-M244 HydrophobicContact CD2-CB 3.49Å; F82-M244 VanDerWaalsContact CD2-CB 3.49Å; F82-M244 HydrophobicContact CD2-CG 3.97Å; F82-M244 HydrophobicContact CE2-CB 3.7Å; F82-M244 HydrophobicContact CG-CB 3.85Å; F82-M244 HydrophobicContact CG-CG 3.93Å; F82-M244 HydrophobicContact CG-SD 4.32Å; F82-M244 HydrophobicContact CZ-CB 4.25Å; L132-M244 HydrophobicContact CD2-CG 4.31Å; K155-M244 HydrophobicContact CB-SD 3.97Å; K155-M244 VanDerWaalsContact O-SD 3.42Å; C156-M244 HydrophobicContact CB-CE 3.5Å; C156-M244 VanDerWaalsContact CB-CE 3.5Å; C156-M244 HydrophobicContact CB-SD 3.74Å; P189-M244 HydrophobicContact CB-CE 3.6Å; P189-M244 HydrophobicContact CG-CE 3.56Å; V240-M244 HydrophobicContact CG1-CG 4.43Å; V240-M244 VanDerWaalsContact O-CG 3.28Å; V240-M244 WeakPolarHBondContact O-CG 3.46Å; V240-M244 PolarHBondContact O-N 3.26Å; A241-M244 PolarHBondContact O-N 2.99Å; E242-M244 VanDerWaalsContact C-N 3.32Å; E242-M244 PolarHBondContact O-N 3.26Å; M244-T247 PolarHBondContact O-N 3.18Å; M244-W248 WeakPolarHBondContact O-CB 3.38Å; M244-W248 PolarHBondContact O-N 3.2Å
245V94Very high87.6Confident19 Ų1951.4 Ų51.412%0.11527%0.266CS..Hα-helixtrans-64.1-43.2176.7174.30000110.8V125 V130 A241 E242 T247 G249 A250V125-V245 HydrophobicContact CB-CG2 4.06Å; V125-V245 HydrophobicContact CG1-CB 3.99Å; V125-V245 HydrophobicContact CG1-CG1 4.24Å; V125-V245 HydrophobicContact CG1-CG2 3.93Å; V125-V245 HydrophobicContact CG2-CG2 4.35Å; V130-V245 HydrophobicContact CG1-CG2 4.49Å; V130-V245 HydrophobicContact CG2-CG2 3.34Å; A241-V245 WeakPolarHBondContact O-CG2 3.3Å; A241-V245 PolarHBondContact O-N 3.32Å; E242-V245 PolarHBondContact O-N 3.18Å; V245-T247 VanDerWaalsContact C-N 3.29Å; V245-T247 PolarHBondContact O-N 3.48Å; V245-G249 WeakPolarHBondContact O-CA 3.37Å; V245-G249 PolarHBondContact O-N 2.76Å; V245-A250 HydrophobicContact CG1-CB 4.22Å
246S92.9Very high86Confident83 Ų8349.4 Ų49.458%0.5825%0.254SS*.Hα-helixtrans-64-33.3177.7-177.60000113E242 C243E242-S246 WeakPolarHBondContact O-CB 3.46Å; E242-S246 PolarHBondContact O-N 3.18Å; C243-S246 PolarHBondContact O-N 2.98Å
247T92.4Very high84.2Confident64 Ų6454.6 Ų54.639%0.39328%0.28SS..Hα-helixtrans-87.8-45.1-175-54.80000112.2P189 C243 M244 V245P189-T247 HydrophobicContact CG-CG2 4.06Å; C243-T247 VanDerWaalsContact O-CB 3.26Å; C243-T247 WeakPolarHBondContact O-CB 3.34Å; C243-T247 PolarHBondContact O-N 2.65Å; C243-T247 PolarHBondContact O-OG1 2.78Å; M244-T247 PolarHBondContact O-N 3.18Å; V245-T247 VanDerWaalsContact C-N 3.29Å; V245-T247 PolarHBondContact O-N 3.48Å
248W92.4Very high82.1Confident83 Ų8359.1 Ų59.131%0.31430%0.304SS..Hα-helixtrans-110-8.7-169.7-56.5107.5000113.5F82 K155 V188 M244F82-W248 HydrophobicContact CE1-CB 3.56Å; F82-W248 AromaticContact CE1-CG 4Å; F82-W248 HydrophobicContact CE1-CG 4Å; F82-W248 HydrophobicContact CZ-CB 3.91Å; K155-W248 HydrophobicContact CD-CD2 4.31Å; K155-W248 HydrophobicContact CD-CH2 4.3Å; K155-W248 HydrophobicContact CD-CZ2 3.91Å; K155-W248 PolarHBondContact O-NE1 2.95Å; V188-W248 HydrophobicContact CG1-CZ2 4.2Å; M244-W248 WeakPolarHBondContact O-CB 3.38Å; M244-W248 PolarHBondContact O-N 3.2Å
249G86.2Confident80.1Confident35 Ų3561.7 Ų61.736%0.36132%0.324SS..  trans76.1154.5-173.900000113.1V245V245-G249 WeakPolarHBondContact O-CA 3.37Å; V245-G249 PolarHBondContact O-N 2.76Å
250A76.9Confident78Confident22 Ų2268.2 Ų68.218%0.18235%0.351CS..PPolyproline II helixtrans-96.5140.215900000108.6H128 V245 K252H128-A250 HydrophobicContact CB-CB 3.96Å; H128-A250 VanDerWaalsContact CD2-CB 3.45Å; H128-A250 WeakPolarHBondContact CD2-CB 3.46Å; V245-A250 HydrophobicContact CG1-CB 4.22Å; A250-K252 PolarHBondContact O-N 2.88Å
251P68.7Low75.7Confident77 Ų7770.7 Ų70.750%0.538%0.377SS..PPolyproline II helixtrans-55132172.4-2535000110.7D79 R253D79-P251 VanDerWaalsContact O-CD 3.22Å; D79-P251 WeakPolarHBondContact O-CD 3.14Å; D79-P251 VanDerWaalsContact O-CG 3.24Å; D79-P251 WeakPolarHBondContact O-CG 3.38Å; P251-R253 PolarHBondContact O-N 3.22Å
252K66.2Low73.2Confident105 Ų10577.9 Ų77.946%0.45742%0.415SS..PPolyproline II helixtrans-54.9136170.8-73.4-164.4178.4-165.50108.7A250 E256 I257 E260A250-K252 PolarHBondContact O-N 2.88Å; K252-E256 HydrophobicContact CB-CB 4.49Å; K252-I257 HydrophobicContact CB-CG1 3.92Å; K252-E260 VanDerWaalsContact NZ-CD 3.26Å; K252-E260 IonicContact NZ-OE1 3.6Å; K252-E260 PolarHBondContact NZ-OE1 2.89Å; K252-E260 IonicContact NZ-OE2 2.7Å; K252-E260 PolarHBondContact NZ-OE2 3.2Å
253R66.5Low70.9Confident39 Ų3980.5 Ų80.515%0.14743%0.432CS..PPolyproline II helixtrans-67.5148.1175.6-66.5-177.2166135.9-6.3109.8D79 N127 P251 Y255 E256 I257D79-R253 IonicContact OD1-CZ 2.75Å; D79-R253 IonicContact OD1-NE 3.75Å; D79-R253 PolarHBondContact OD1-NE 3.07Å; D79-R253 IonicContact OD1-NH2 2.84Å; D79-R253 IonicContact OD2-CZ 3.54Å; D79-R253 IonicContact OD2-NE 3.55Å; D79-R253 IonicContact OD2-NH2 3.05Å; D79-R253 PolarHBondContact OD2-NH2 3.31Å; N127-R253 PolarHBondContact O-NH1 2.87Å; N127-R253 PolarHBondContact O-NH2 3.32Å; P251-R253 PolarHBondContact O-N 3.22Å; R253-Y255 HydrophobicContact CB-CD1 3.92Å; R253-Y255 HydrophobicContact CB-CE1 3.63Å; R253-Y255 HydrophobicContact CB-CE2 4.23Å; R253-Y255 HydrophobicContact CB-CG 4.37Å; R253-Y255 WeakPolarHBondContact CD-OH 3.27Å; R253-Y255 HydrophobicContact CG-CE1 4.22Å; R253-Y255 PolarHBondContact NH1-OH 3.47Å; R253-Y255 PolarHBondContact O-N 2.85Å; R253-E256 HydrophobicContact CB-CG 4.2Å; R253-E256 PolarHBondContact N-OE2 2.96Å; R253-E256 WeakPolarHBondContact O-CA 3.44Å; R253-E256 WeakPolarHBondContact O-CB 3.35Å; R253-E256 PolarHBondContact O-N 3.02Å; R253-I257 WeakPolarHBondContact O-CG1 3.27Å; R253-I257 PolarHBondContact O-N 2.97Å
254W61.9Low68.1Low158 Ų15888.3 Ų88.360%0.59847%0.466SS*.THydrogen-bonded Turntrans-55.4-25.3-176.366.7-92.8000113.9
255Y66.6Low65.7Low113 Ų11395.2 Ų95.244%0.44350%0.502SS..THydrogen-bonded Turntrans-82.9-23.7174.658.3-99.5000114R253R253-Y255 HydrophobicContact CB-CD1 3.92Å; R253-Y255 HydrophobicContact CB-CE1 3.63Å; R253-Y255 HydrophobicContact CB-CE2 4.23Å; R253-Y255 HydrophobicContact CB-CG 4.37Å; R253-Y255 WeakPolarHBondContact CD-OH 3.27Å; R253-Y255 HydrophobicContact CG-CE1 4.22Å; R253-Y255 PolarHBondContact NH1-OH 3.47Å; R253-Y255 PolarHBondContact O-N 2.85Å
256E64.2Low63.6Low52 Ų5299.5 Ų99.524%0.24353%0.525CS..THydrogen-bonded Turntrans-76.7-28.4175.9-67.9161.5-174.500111.4K252 R253 N258 T259K252-E256 HydrophobicContact CB-CB 4.49Å; R253-E256 HydrophobicContact CB-CG 4.2Å; R253-E256 PolarHBondContact N-OE2 2.96Å; R253-E256 WeakPolarHBondContact O-CA 3.44Å; R253-E256 WeakPolarHBondContact O-CB 3.35Å; R253-E256 PolarHBondContact O-N 3.02Å; E256-N258 PolarHBondContact O-N 3.42Å; E256-N258 VanDerWaalsContact O-N 3.1Å; E256-T259 PolarHBondContact O-N 3.19Å; E256-T259 PolarHBondContact O-OG1 3.2Å
257I61Low61.6Low108 Ų10899 Ų9955%0.55452%0.519SS*.THydrogen-bonded Turntrans-59.4-24179.5-62.1173.8000112.1K252 R253K252-I257 HydrophobicContact CB-CG1 3.92Å; R253-I257 WeakPolarHBondContact O-CG1 3.27Å; R253-I257 PolarHBondContact O-N 2.97Å
258N53.8Low59.2Low95 Ų95104.4 Ų104.451%0.50853%0.533SS..THydrogen-bonded Turntrans-101.11.8-176.6-63.3-24.6000114.5E256E256-N258 PolarHBondContact O-N 3.42Å; E256-N258 VanDerWaalsContact O-N 3.1Å
259T56Low57Low110 Ų110104.1 Ų104.168%0.67554%0.543SS*.SBendtrans-90.7-15.6-174.450.80000114.7E256E256-T259 PolarHBondContact O-N 3.19Å; E256-T259 PolarHBondContact O-OG1 3.2Å
260E54.3Low54.6Low157 Ų157109.1 Ų109.173%0.73456%0.562SS**SBendtrans-97.96.6-178.4-72.1170.6-171.300113.9K252K252-E260 VanDerWaalsContact NZ-CD 3.26Å; K252-E260 IonicContact NZ-OE1 3.6Å; K252-E260 PolarHBondContact NZ-OE1 2.89Å; K252-E260 IonicContact NZ-OE2 2.7Å; K252-E260 PolarHBondContact NZ-OE2 3.2Å
261G49.8Very low52.8Low53 Ų53112.7 Ų112.755%0.54659%0.586SS.*SBendtrans-150.69718000000113.2
262N44.2Very low51.2Low151 Ų151117.9 Ų117.981%0.80760%0.597SS**SBendtrans61.1115.3164.8-72.7-23.1000118.3
263N48.5Very low49.8Very low146 Ų146119.9 Ų119.978%0.78161%0.612SS**  trans50.689.5144.3-63.9-20.2000118L265N263-L265 PolarHBondContact O-N 3.29Å; N263-L265 VanDerWaalsContact O-N 3.16Å
264H38.5Very low48.3Very low185 Ų185126.9 Ų126.986%0.85665%0.646SS**  32.272.3129.5-156.1-60.3000117.4
265L45.4Very low46.9Very low144 Ų144131.1 Ų131.175%0.75466%0.662SS**  trans-141.697.3156.3-78.2170.2000108.6N263 P267N263-L265 PolarHBondContact O-N 3.29Å; N263-L265 VanDerWaalsContact O-N 3.16Å; L265-P267 VanDerWaalsContact O-CD 3.32Å; L265-P267 WeakPolarHBondContact O-CD 3.42Å
266D49.7Very low45.2Very low110 Ų110136.2 Ų136.259%0.58868%0.682SS**  trans-53.5119.4166.9-112.4-25000108.7W268 S269D266-W268 PolarHBondContact O-N 3.28Å; D266-S269 VanDerWaalsContact CB-CB 3.44Å; D266-S269 WeakPolarHBondContact CB-OG 3.21Å; D266-S269 PolarHBondContact O-N 3.27Å; D266-S269 PolarHBondContact O-OG 3.24Å
267P49.7Very low43.9Very low72 Ų72142.2 Ų142.247%0.46871%0.708SS.*THydrogen-bonded Turntrans-66-9.5-175.9-19.631000113.8L265L265-P267 VanDerWaalsContact O-CD 3.32Å; L265-P267 WeakPolarHBondContact O-CD 3.42Å
268W43.4Very low42.7Very low177 Ų177143.6 Ų143.667%0.6772%0.716SS**THydrogen-bonded Turntrans-119.9-3.3-177.9-73.976.3000114.1D266 N270 Y272D266-W268 PolarHBondContact O-N 3.28Å; W268-N270 VanDerWaalsContact C-N 3.33Å; W268-N270 PolarHBondContact O-N 3.45Å; W268-Y272 HydrophobicContact CE3-CE2 4.45Å
269S45.5Very low41.8Very low77 Ų77145 Ų14554%0.53873%0.728SS.*THydrogen-bonded Turntrans-83.5-3.9-179.166.60000114.5D266D266-S269 VanDerWaalsContact CB-CB 3.44Å; D266-S269 WeakPolarHBondContact CB-OG 3.21Å; D266-S269 PolarHBondContact O-N 3.27Å; D266-S269 PolarHBondContact O-OG 3.24Å
270N36Very low40.9Very low140 Ų140145 Ų14575%0.74973%0.728SS**THydrogen-bonded Turntrans-127.113.6-179-116.82.8000115.8W268W268-N270 VanDerWaalsContact C-N 3.33Å; W268-N270 PolarHBondContact O-N 3.45Å
271S39Very low40Very low98 Ų98145.7 Ų145.769%0.68573%0.731SS**SBendtrans-107.84.9179.1-76.10000115.3
272Y34.9Very low39.3Very low186 Ų186150.7 Ų150.773%0.72974%0.744SS**SBendtrans-116.843.9175-82.2-83.2000112W268W268-Y272 HydrophobicContact CE3-CE2 4.45Å
273N36.3Very low39.1Very low147 Ų147150.6 Ų150.679%0.78674%0.744SS**SBendtrans-174.380.6165-92.3-29.3000109.3
274H35Very low38.5Very low186 Ų186151.5 Ų151.586%0.86174%0.744SS**  trans153.469.2157.8-93.6-75.6000110.7
275R32.7Very low38.6Very low247 Ų247151.8 Ų151.893%0.93274%0.742SS**  trans-151.648.4153.3-148.4174.1-74.3-172.4-1.6111.5
276Y30.9Very low38.3Very low219 Ų219154.7 Ų154.786%0.85975%0.749SS**SBendtrans-134124.4155.2-114.2-94.6000104.3
277K36.5Very low37.8Very low179 Ų179153.9 Ų153.978%0.77876%0.757SS**SBendtrans102.5110.3177.5-59.5-176.4179.1-176.40116.9
278D36.7Very low37.4Very low136 Ų136158.7 Ų158.773%0.72777%0.773SS**  trans89.794.9132.4-52.8-22.6000120.8
279T35Very low37.4Very low126 Ų126157 Ų15777%0.77378%0.777SS**  42.9133.5114.7-32.90000120.4
280V36.9Very low37.2Very low110 Ų110161.8 Ų161.867%0.66779%0.788SS**  145.4108.5124.6170.60000113.8
281Q35.8Very low37.3Very low170 Ų170161 Ų16179%0.79478%0.783SS**  trans67.6154.2134.6-64.1177.76.900125
282L35.5Very low37.4Very low158 Ų158167.2 Ų167.283%0.82779%0.792SS**  trans98.5124.1165.1-58.6157000113.4
283D38.7Very low37.5Very low149 Ų149163.2 Ų163.280%0.79779%0.79SS**  cis-157.7159.224.5-152.2-9.2000112.5
284Q36.8Very low37.6Very low166 Ų166161.2 Ų161.278%0.77679%0.786SS**  trans-88.3145.1-170.6-63.3175.1-6.300113.9
285K40Very low37.8Very low190 Ų190159.6 Ų159.683%0.82678%0.783SS**  trans151.499.5131.2-84.9169.1179.21750110
286K39.1Very low38.1Very low205 Ų205153.1 Ų153.189%0.89177%0.771SS**  66108.689.9-81.1-169.3179.1-179.90115.1
287A38.9Very low39.1Very low93 Ų93155.1 Ų155.177%0.76979%0.788SS**  165.9104114.800000108.8
288H42.4Very low39.2Very low174 Ų174153.9 Ų153.981%0.80679%0.788SS**  64.695.291.5-88.651.4000115.9
289N42.5Very low39.3Very low140 Ų140154.8 Ų154.875%0.74979%0.791SS**  171.7116.7111.5-99.2-22000108.4
290K41.8Very low39.6Very low178 Ų178156.4 Ų156.477%0.77479%0.792SS**  49119.891-95.2-168.4167.9174.60110.7
291L38.6Very low39.7Very low123 Ų123159.2 Ų159.264%0.64480%0.8SS**  cis-177.3147.741.8-102.4146.6000107.7
292R40.2Very low40Very low230 Ų230158.5 Ų158.587%0.86880%0.8SS**  trans47.6151.2134.6-80.2-175.8-174.2-166.9-1.2119.7
293C36.4Very low40.3Very low101 Ų101158.5 Ų158.568%0.68280%0.798SS**  cis-179.2146.5-3.4-167.30000104.5
294C38.7Very low40.4Very low105 Ų105159.2 Ų159.271%0.70980%0.798SS**  trans34.8137.3143.7-67.60000123.9
295L38.9Very low40.6Very low152 Ų152158.7 Ų158.780%0.79680%0.8SS**  trans103.6120.4136.1-72.3150.5000120.4
296T40.6Very low40.7Very low111 Ų111156.1 Ų156.168%0.68180%0.798SS**  trans67.4112.4137.851.90000120.1
297H50.4Low40.8Very low261 Ų261151.6 Ų151.6100%1.20879%0.79SS**  -146.7092.4-96.142.8000109.4

Retrieved 297 of 297 residues in 462.5 ms (Link to these results)