A0A087XKH4_POEFO Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A087XKH4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 244 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M33.9Very low33.7Very low251 Ų251161.6 Ų161.6100%1.23681%0.808SS**  070.90-157.8179.4-142.100106.3
2E30.9Very low33.7Very low195 Ų195150.2 Ų150.291%0.91176%0.757SS**  trans-99.5134.7-177.9-91174151.400109.3M4E2-M4 PolarHBondContact O-N 2.87Å
3R30.9Very low34.1Very low240 Ų240146.1 Ų146.191%0.90675%0.749SS**  trans-63125.1-179-84.2173.8165.4158.7-5.2110.2E5R3-E5 PolarHBondContact O-N 3.15Å
4M27.6Very low34.1Very low189 Ų189145.4 Ų145.493%0.93173%0.734SS**  trans-63.6108.3154.1-87.1166.566.200108E2E2-M4 PolarHBondContact O-N 2.87Å
5E35.9Very low34.2Very low182 Ų182146.1 Ų146.185%0.8573%0.73SS**  trans-69.4127158.4-79-177.6157.700108.4R3 M7R3-E5 PolarHBondContact O-N 3.15Å; E5-M7 PolarHBondContact O-N 3.03Å
6S33.4Very low34.3Very low116 Ų116144.9 Ų144.981%0.81173%0.734SS**  trans-61.8112.1-178.6480000111.3
7M35Very low34.5Very low188 Ų188139.9 Ų139.993%0.92672%0.72SS**PPolyproline II helixtrans-71.6127161.7-75.7-174.8172.600109.3E5E5-M7 PolarHBondContact O-N 3.03Å
8E33.1Very low34.5Very low157 Ų157140.3 Ų140.373%0.73471%0.712SS**PPolyproline II helixtrans-70142.1171.1-70.2-135.9144.300111.3A12E8-A12 HydrophobicContact CB-CB 4.42Å; E8-A12 WeakPolarHBondContact OE2-CB 3.13Å
9P32.2Very low34.3Very low92 Ų92138.9 Ų138.960%0.59771%0.713SS**PPolyproline II helixtrans-67.9144.7178.426.5-32.1000111.6S11 A12P9-S11 PolarHBondContact O-N 3.44Å; P9-A12 VanDerWaalsContact O-CB 3.27Å; P9-A12 WeakPolarHBondContact O-CB 3.5Å; P9-A12 PolarHBondContact O-N 3.41Å
10I40.3Very low34.2Very low101 Ų101142.1 Ų142.152%0.51873%0.725SS.*THydrogen-bonded Turntrans-51.1-25.1179.8-66.4167.1000113.6A12 C13 Y14I10-A12 PolarHBondContact O-N 3.33Å; I10-C13 PolarHBondContact O-N 3.11Å; I10-Y14 HydrophobicContact CG2-CD2 4.33Å; I10-Y14 HydrophobicContact CG2-CE2 4.25Å
11S37.4Very low34.4Very low67 Ų67143 Ų14347%0.46973%0.73SS.*Hα-helixtrans-51.5-34.2168.4163.90000113.4P9 Y14 K15P9-S11 PolarHBondContact O-N 3.44Å; S11-Y14 PolarHBondContact O-N 3.23Å; S11-K15 WeakPolarHBondContact O-CG 3.48Å; S11-K15 PolarHBondContact O-N 2.96Å; S11-K15 VanDerWaalsContact O-N 3.17Å
12A33.8Very low34.3Very low24 Ų24138.3 Ų138.320%0.19871%0.71CS.*Hα-helixtrans-71.8-34.418000000113E8 P9 I10 Y14 K15 T16E8-A12 HydrophobicContact CB-CB 4.42Å; E8-A12 WeakPolarHBondContact OE2-CB 3.13Å; P9-A12 VanDerWaalsContact O-CB 3.27Å; P9-A12 WeakPolarHBondContact O-CB 3.5Å; P9-A12 PolarHBondContact O-N 3.41Å; I10-A12 PolarHBondContact O-N 3.33Å; A12-Y14 VanDerWaalsContact C-N 3.28Å; A12-Y14 PolarHBondContact O-N 2.94Å; A12-K15 PolarHBondContact O-N 3.38Å; A12-T16 PolarHBondContact O-N 2.93Å; A12-T16 PolarHBondContact O-OG1 3.11Å
13C38.8Very low34.3Very low97 Ų97134.5 Ų134.566%0.65570%0.702SS**Hα-helixtrans-67.7-28175.6-66.20000112.8I10 T16I10-C13 PolarHBondContact O-N 3.11Å; C13-T16 PolarHBondContact O-OG1 3.09Å
14Y34.1Very low34.5Very low137 Ų137130.4 Ų130.454%0.53770%0.698SS.*Hα-helixtrans-81.3-32.7174.9-83-89.6000112.6I10 S11 A12 A17I10-Y14 HydrophobicContact CG2-CD2 4.33Å; I10-Y14 HydrophobicContact CG2-CE2 4.25Å; S11-Y14 PolarHBondContact O-N 3.23Å; A12-Y14 VanDerWaalsContact C-N 3.28Å; A12-Y14 PolarHBondContact O-N 2.94Å; Y14-A17 PolarHBondContact O-N 3.07Å
15K35.5Very low34.6Very low155 Ų155127.4 Ų127.467%0.67470%0.696SS**Hα-helixtrans-74-25.7-177.7-79.6-176.5178.3-170.90114.8S11 A12 A17S11-K15 WeakPolarHBondContact O-CG 3.48Å; S11-K15 PolarHBondContact O-N 2.96Å; S11-K15 VanDerWaalsContact O-N 3.17Å; A12-K15 PolarHBondContact O-N 3.38Å; K15-A17 PolarHBondContact O-N 3.15Å
16T35.7Very low34.4Very low128 Ų128122.2 Ų122.279%0.78569%0.691SS**THydrogen-bonded Turntrans-74.6-13.8176.546.70000113.5A12 C13A12-T16 PolarHBondContact O-N 2.93Å; A12-T16 PolarHBondContact O-OG1 3.11Å; C13-T16 PolarHBondContact O-OG1 3.09Å
17A37.6Very low34.2Very low60 Ų60128.7 Ų128.750%0.49670%0.699SS.*THydrogen-bonded Turntrans-100.2-16.7-176.900000114.7Y14 K15Y14-A17 PolarHBondContact O-N 3.07Å; K15-A17 PolarHBondContact O-N 3.15Å
18Y34.4Very low33.9Very low146 Ų146123.4 Ų123.457%0.57369%0.694SS**  trans-145.897.2-173.4-59.4-79.1000112.4
19P31.1Very low33.8Very low115 Ų115122.2 Ų122.275%0.74770%0.703SS**PPolyproline II helixtrans-72.1138.2163.728.6-29.4000110.1I21P19-I21 PolarHBondContact O-N 3.29Å
20E32.3Very low33.7Very low201 Ų201121.6 Ų121.694%0.93971%0.712SS**PPolyproline II helixtrans-62.2127.1177.4-66.1-175.1174.200110.8
21I38.4Very low33.4Very low161 Ų161125.4 Ų125.483%0.82673%0.728SS**PPolyproline II helixtrans-98.5120176-50.9177.1000108.4P19P19-I21 PolarHBondContact O-N 3.29Å
22N31.8Very low33.1Very low153 Ų153129.9 Ų129.982%0.81875%0.747SS**PPolyproline II helixtrans-76128.2177.8-131.1-17.8000109.9D24N22-D24 PolarHBondContact O-N 3.47Å
23P31.2Very low33.4Very low115 Ų115134.5 Ų134.575%0.74777%0.773SS**  trans-89.984-179.234.6-29.3000109.6
24D34.8Very low33.2Very low155 Ų155139.1 Ų139.183%0.82979%0.785SS**  trans-158.1115.2160.3-125.9-10.7000112.5N22N22-D24 PolarHBondContact O-N 3.47Å
25S30.3Very low33.4Very low126 Ų126140.5 Ų140.588%0.88180%0.801SS**  trans141.9125.9164.754.20000108.3
26G31.7Very low33.4Very low73 Ų73142.3 Ų142.375%0.75381%0.812SS**  cis163.4126.25.100000104.9
27Y28.1Very low33.5Very low251 Ų251140.9 Ų140.998%0.98481%0.813SS**  trans-65.5135.9179.9-86.1-98.6000111.4
28G29.9Very low33.6Very low78 Ų78147.7 Ų147.780%0.80483%0.832SS**  trans-143.8117.9169.400000110.7
29S31.1Very low34Very low132 Ų132146.5 Ų146.592%0.92384%0.84SS**  trans-81.7151.2-179.643.70000113
30G29.6Very low34.5Very low78 Ų78146.4 Ų146.480%0.80484%0.839SS**  trans-169.4113.8167.600000111.8
31E33.5Very low34.9Very low182 Ų182142.3 Ų142.385%0.8583%0.83SS**  trans-75.6150.8171.5-65.2173.4140.900111.2
32N31.3Very low35.3Very low160 Ų160138.6 Ų138.686%0.85682%0.823SS**  -176.4146.6125.5-91.6-35.4000113.1
33T39.9Very low35.9Very low121 Ų121135.3 Ų135.374%0.74281%0.81SS**  trans-74.2150.5-173.347.30000115.3
34E34.6Very low36.6Very low195 Ų195135.1 Ų135.191%0.91181%0.812SS**  -173.3145.2127.1-106.4171.6-172.700114.1
35N37.9Very low37.5Very low166 Ų166132.7 Ų132.789%0.88879%0.792SS**  trans-74127.3-176.4-83.6-45.1000113.1
36Q36.1Very low38.4Very low192 Ų192134.1 Ų134.190%0.89779%0.789SS**  trans-137.2146.2154.7-72.5-174.28.700111.1K38Q36-K38 PolarHBondContact O-N 3.29Å
37A38.4Very low39.6Very low98 Ų98137.9 Ų137.981%0.8179%0.788SS**  trans-50127.2-167.800000113.8T39A37-T39 PolarHBondContact O-N 3.43Å
38K38.5Very low41.7Very low204 Ų204133.1 Ų133.189%0.88778%0.779SS**  trans-73.293.9-179.6-69.5-178.7179.3-179.10110.9Q36Q36-K38 PolarHBondContact O-N 3.29Å
39T43.4Very low44.6Very low120 Ų120130.1 Ų130.174%0.73674%0.744SS**PPolyproline II helixtrans-49140.6139.2100000108A37 P41A37-T39 PolarHBondContact O-N 3.43Å; T39-P41 VanDerWaalsContact O-N 3.11Å
40P41.1Very low47.6Very low114 Ų114126.1 Ų126.174%0.7471%0.714SS**PPolyproline II helixtrans-52.5126.2176.221-30.3000107.9A42P40-A42 PolarHBondContact O-N 2.72Å; P40-A42 VanDerWaalsContact O-N 3.15Å
41P41.1Very low50.7Low115 Ų115123.3 Ų123.375%0.74768%0.68SS**PPolyproline II helixtrans-57.6126.5-178.922.1-30.3000107.5T39T39-P41 VanDerWaalsContact O-N 3.11Å
42A47.7Very low53.6Low82 Ų82115.6 Ų115.668%0.67864%0.644SS**PPolyproline II helixtrans-51136.3162.500000106.8P40 S44P40-A42 PolarHBondContact O-N 2.72Å; P40-A42 VanDerWaalsContact O-N 3.15Å; A42-S44 PolarHBondContact O-N 3.46Å
43P44Very low56.6Low84 Ų84108 Ų10855%0.54560%0.603SS.*  trans-50.7116179.618.4-30.5000109Y45P43-Y45 VanDerWaalsContact C-N 3.27Å; P43-Y45 HydrophobicContact CB-CD2 4.19Å; P43-Y45 HydrophobicContact CB-CE1 4.2Å; P43-Y45 HydrophobicContact CB-CE2 3.66Å; P43-Y45 HydrophobicContact CG-CD2 4.24Å; P43-Y45 HydrophobicContact CG-CE2 3.4Å; P43-Y45 VanDerWaalsContact CG-CE2 3.4Å; P43-Y45 WeakPolarHBondContact O-CD2 3.44Å; P43-Y45 PolarHBondContact O-N 3.45Å
44S45.9Very low59.2Low112 Ų112102.2 Ų102.278%0.78357%0.568SS**  trans-75.187.4174.659.40000107A42 D46A42-S44 PolarHBondContact O-N 3.46Å; S44-D46 PolarHBondContact O-N 3.45Å
45Y53Low62Low104 Ų10492.9 Ų92.941%0.40852%0.524SS..  trans-72.380.6169.7-61.1-71.9000107.9P43 E47 I217 H219P43-Y45 VanDerWaalsContact C-N 3.27Å; P43-Y45 HydrophobicContact CB-CD2 4.19Å; P43-Y45 HydrophobicContact CB-CE1 4.2Å; P43-Y45 HydrophobicContact CB-CE2 3.66Å; P43-Y45 HydrophobicContact CG-CD2 4.24Å; P43-Y45 HydrophobicContact CG-CE2 3.4Å; P43-Y45 VanDerWaalsContact CG-CE2 3.4Å; P43-Y45 WeakPolarHBondContact O-CD2 3.44Å; P43-Y45 PolarHBondContact O-N 3.45Å; Y45-E47 PolarHBondContact O-N 3.15Å; Y45-I217 HydrophobicContact CD1-CG2 4.35Å; Y45-I217 HydrophobicContact CE1-CG2 3.68Å; Y45-H219 PolarHBondContact OH-NE2 3.11Å
46D48.8Very low64.5Low155 Ų15585 Ų8583%0.82948%0.482SS*.  trans-88.538.9176-15423.3000110.4S44S44-D46 PolarHBondContact O-N 3.45Å
47E58.3Low67.2Low153 Ų15375.9 Ų75.972%0.71544%0.439SS*.SBendtrans-107.2118.8164.8-70.6-167.6169.900107.3Y45 L49Y45-E47 PolarHBondContact O-N 3.15Å; E47-L49 PolarHBondContact O-N 2.83Å
48D72.1Confident69.7Low150 Ų15072.3 Ų72.380%0.80241%0.407SS*.  trans-59.9101.8169.9-77-32.4000108.3V50D48-V50 HydrophobicContact CB-CG2 3.91Å; D48-V50 PolarHBondContact O-N 3.16Å
49L90.4Very high72.1Confident15 Ų1565.3 Ų65.38%0.07938%0.383CS..EExtended strand (participates in β ladder)trans-71.979.9177.4-66.9177.9000110E47 V98 V100 K101 K213 A216 I217E47-L49 PolarHBondContact O-N 2.83Å; L49-V98 HydrophobicContact CD1-CG1 3.58Å; L49-V100 HydrophobicContact CB-CG1 4.43Å; L49-V100 HydrophobicContact CD1-CG2 4.16Å; L49-K101 PolarHBondContact O-N 2.71Å; L49-K213 HydrophobicContact CD1-CB 4.42Å; L49-K213 HydrophobicContact CD1-CG 3.81Å; L49-A216 HydrophobicContact CD2-CB 3.82Å; L49-I217 HydrophobicContact CD1-CD1 4.06Å; L49-I217 HydrophobicContact CD1-CG1 4.49Å
50V94.3Very high74.4Confident49 Ų4962.1 Ų62.130%0.29738%0.375SS..EExtended strand (participates in β ladder)trans-97.9118.9179.8-170.60000110D48 K101 Q103D48-V50 HydrophobicContact CB-CG2 3.91Å; D48-V50 PolarHBondContact O-N 3.16Å; V50-K101 CarbonylContact C-O 3.44Å; V50-K101 WeakPolarHBondContact CA-O 3.22Å; V50-K101 HydrophobicContact CG1-CD 4.36Å; V50-K101 HydrophobicContact CG1-CG 4.44Å; V50-K101 HydrophobicContact CG2-CB 4.19Å; V50-K101 HydrophobicContact CG2-CD 4.04Å; V50-Q103 HydrophobicContact CG1-CG 3.73Å
51H94.8Very high76.9Confident18 Ų1856.7 Ų56.78%0.08334%0.339CS..EExtended strand (participates in β ladder)trans-126.9118.9179.9-62.1-68.1000112.9T53 K101 L102 Q103 H125 L212H51-T53 PolarHBondContact O-N 2.91Å; H51-K101 PolarHBondContact N-O 3.39Å; H51-L102 HydrophobicContact CB-CD2 4.4Å; H51-L102 WeakPolarHBondContact O-CA 3.28Å; H51-Q103 PolarHBondContact O-N 2.97Å; H51-H125 HydrophobicContact CB-CB 4.21Å; H51-H125 AromaticContact ND1-CG 3.85Å; H51-L212 HydrophobicContact CB-CD1 3.65Å; H51-L212 HydrophobicContact CB-CG 4.48Å
52K94.1Very high79.5Confident20 Ų2051.8 Ų51.89%0.08731%0.31CS..EExtended strand (participates in β ladder)trans-62.5117.6167.2-178.3163.6166.8-159.50112.1I54 Q103 Y120 D123 H125 A126K52-I54 HydrophobicContact CG-CG1 4.43Å; K52-Q103 WeakPolarHBondContact CA-O 3.39Å; K52-Y120 WeakPolarHBondContact CE-O 3.09Å; K52-Y120 PolarHBondContact NZ-O 2.91Å; K52-D123 HydrophobicContact CD-CB 4.42Å; K52-D123 WeakPolarHBondContact CD-O 3.37Å; K52-H125 PolarHBondContact N-ND1 3.28Å; K52-H125 PolarHBondContact O-N 2.71Å; K52-A126 PolarHBondContact O-N 2.84Å; K52-A126 VanDerWaalsContact O-N 3.16Å
53T94.7Very high81.7Confident0 Ų048.4 Ų48.40%028%0.28CS..EExtended strand (participates in β ladder)trans-118.9135.2175.7-590000109.1H51 Q103 I104 W105 A126 L128H51-T53 PolarHBondContact O-N 2.91Å; T53-Q103 PolarHBondContact N-O 3.44Å; T53-Q103 VanDerWaalsContact O-O 3.11Å; T53-I104 CarbonylContact O-C 3.54Å; T53-I104 VanDerWaalsContact O-CA 3.27Å; T53-I104 WeakPolarHBondContact O-CA 3.33Å; T53-W105 PolarHBondContact O-N 3.13Å; T53-A126 CarbonylContact C-O 3.47Å; T53-A126 VanDerWaalsContact CA-O 3.31Å; T53-A126 WeakPolarHBondContact CA-O 3.31Å; T53-A126 HydrophobicContact CG2-CB 4.13Å; T53-L128 HydrophobicContact CG2-CD1 4.49Å; T53-L128 HydrophobicContact CG2-CG 4.29Å
54I93.2Very high84Confident0 Ų046.3 Ų46.30%027%0.266CS..EExtended strand (participates in β ladder)trans-120.8135.4-179.4-50.3-177.7000109.9K52 V56 W105 T107 Y120 A124 A126 L127 L128K52-I54 HydrophobicContact CG-CG1 4.43Å; I54-V56 HydrophobicContact CG2-CG1 3.84Å; I54-W105 HydrophobicContact CB-CB 4.5Å; I54-W105 HydrophobicContact CG1-CB 4.18Å; I54-W105 HydrophobicContact CG1-CG 4.49Å; I54-W105 HydrophobicContact CG2-CB 4.29Å; I54-T107 HydrophobicContact CG2-CG2 3.63Å; I54-Y120 VanDerWaalsContact CD1-O 3.24Å; I54-Y120 WeakPolarHBondContact CD1-O 3.29Å; I54-A124 HydrophobicContact CD1-CB 3.68Å; I54-A124 HydrophobicContact CG1-CB 4.05Å; I54-A126 PolarHBondContact N-O 3.02Å; I54-L127 HydrophobicContact CB-CD2 3.89Å; I54-L127 HydrophobicContact CG2-CD2 4.45Å; I54-L127 WeakPolarHBondContact O-CA 3.5Å; I54-L128 PolarHBondContact O-N 2.85Å
55L93.8Very high86.3Confident0 Ų042.7 Ų42.70%024%0.24CC..EExtended strand (participates in β ladder)trans-90125.1170.2-49.8-173.6000109.2K63 L67 I104 W105 T107 L128 F205L55-K63 HydrophobicContact CB-CB 4.06Å; L55-K63 HydrophobicContact CB-CD 4.13Å; L55-K63 HydrophobicContact CB-CG 4.24Å; L55-K63 HydrophobicContact CD1-CB 4.29Å; L55-K63 WeakPolarHBondContact CD1-O 3.44Å; L55-L67 HydrophobicContact CD1-CB 3.85Å; L55-L67 HydrophobicContact CD1-CD2 4.49Å; L55-I104 HydrophobicContact CD1-CG2 4.31Å; L55-I104 HydrophobicContact CD2-CG2 4.17Å; L55-I104 HydrophobicContact CG-CG2 4.01Å; L55-W105 PolarHBondContact N-O 3.23Å; L55-T107 PolarHBondContact O-OG1 3.06Å; L55-L128 HydrophobicContact CD2-CB 3.72Å; L55-L128 HydrophobicContact CD2-CD1 3.67Å; L55-L128 HydrophobicContact CD2-CG 4.11Å; L55-F205 HydrophobicContact CD2-CE1 4.18Å; L55-F205 HydrophobicContact CD2-CZ 4.09Å
56V92Very high88.4Confident0 Ų037.7 Ų37.70%022%0.221CC..EExtended strand (participates in β ladder)trans-132.2157.9-177.5-66.50000111.4I54 T117 Y121 L127 L128 L129 L130 I149I54-V56 HydrophobicContact CG2-CG1 3.84Å; V56-T117 HydrophobicContact CG1-CG2 4.49Å; V56-Y121 HydrophobicContact CG1-CE1 3.89Å; V56-L127 HydrophobicContact CG1-CD2 3.92Å; V56-L127 HydrophobicContact CG2-CD2 4.16Å; V56-L128 PolarHBondContact N-O 3.48Å; V56-L129 HydrophobicContact CB-CD1 4.42Å; V56-L129 HydrophobicContact CG2-CB 3.94Å; V56-L129 HydrophobicContact CG2-CD1 3.77Å; V56-L129 HydrophobicContact CG2-CG 4.44Å; V56-L129 WeakPolarHBondContact O-CA 3.41Å; V56-L130 PolarHBondContact O-N 3.17Å; V56-I149 HydrophobicContact CG2-CD1 4.19Å
57G92Very high90.7Very high0 Ų030.8 Ų30.80%018%0.183CC..SBendtrans132.7170.9-175.100000112.4K63G57-K63 PolarHBondContact O-NZ 3.21Å
58D91.2Very high92.4Very high24 Ų2425 Ų2513%0.12816%0.158CC..  trans-60.7164.8-173.9-73.711.2000113.7V61 K63 G109 S138 N141 W145D58-V61 HydrophobicContact CB-CG1 3.82Å; D58-V61 WeakPolarHBondContact O-CG1 3.4Å; D58-V61 WeakPolarHBondContact O-CG2 3.43Å; D58-K63 PolarHBondContact O-NZ 3Å; D58-G109 CarbonylContact C-O 3.48Å; D58-S138 WeakPolarHBondContact OD2-CA 3.47Å; D58-N141 PolarHBondContact OD2-ND2 2.99Å; D58-W145 PolarHBondContact OD1-NE1 2.9Å
59S88.9Confident93.5Very high56 Ų5619.2 Ų19.239%0.39213%0.127SC..THydrogen-bonded Turntrans-61.1140.8172.1-169.20000110.7V61 G109S59-V61 VanDerWaalsContact C-N 3.26Å; S59-V61 PolarHBondContact O-N 3.26Å; S59-G109 WeakPolarHBondContact CA-O 3.5Å; S59-G109 WeakPolarHBondContact CB-O 3.47Å; S59-G109 PolarHBondContact N-O 3.41Å
60G90.8Very high93.8Very high54 Ų5418.9 Ų18.956%0.55712%0.124SC*.THydrogen-bonded Turntrans77.2-1.6175.800000116.4G62 K165G60-G62 PolarHBondContact O-N 3.07Å; G60-K165 WeakPolarHBondContact O-CE 3.44Å; G60-K165 PolarHBondContact O-NZ 3.47Å
61V94.6Very high93.8Very high0 Ų018.2 Ų18.20%012%0.119CC..SBendtrans-70.5-13.2176.8-55.20000113.7D58 S59 K63 L130 D132 N164D58-V61 HydrophobicContact CB-CG1 3.82Å; D58-V61 WeakPolarHBondContact O-CG1 3.4Å; D58-V61 WeakPolarHBondContact O-CG2 3.43Å; S59-V61 VanDerWaalsContact C-N 3.26Å; S59-V61 PolarHBondContact O-N 3.26Å; V61-K63 HydrophobicContact CG2-CG 3.86Å; V61-L130 HydrophobicContact CB-CB 4.44Å; V61-L130 HydrophobicContact CG2-CB 3.72Å; V61-D132 HydrophobicContact CB-CB 4.32Å; V61-D132 HydrophobicContact CG1-CB 4.28Å; V61-N164 PolarHBondContact O-ND2 3.44Å
62G94.4Very high93.8Very high12 Ų1222.2 Ų22.212%0.12414%0.138CC..SBendtrans97.627.9173.100000115.9G60 S65 L66G60-G62 PolarHBondContact O-N 3.07Å; G62-S65 PolarHBondContact O-N 2.71Å; G62-L66 WeakPolarHBondContact O-CB 3.41Å; G62-L66 PolarHBondContact O-N 3.32Å
63K94.5Very high93.7Very high10 Ų1023.8 Ų23.84%0.04316%0.16CC..Hα-helixtrans-53.9-55.7174.7-62.2-175.8-64.5-73.20112.6L55 G57 D58 V61 S65 L66 L67 D106 T107 L130L55-K63 HydrophobicContact CB-CB 4.06Å; L55-K63 HydrophobicContact CB-CD 4.13Å; L55-K63 HydrophobicContact CB-CG 4.24Å; L55-K63 HydrophobicContact CD1-CB 4.29Å; L55-K63 WeakPolarHBondContact CD1-O 3.44Å; G57-K63 PolarHBondContact O-NZ 3.21Å; D58-K63 PolarHBondContact O-NZ 3Å; V61-K63 HydrophobicContact CG2-CG 3.86Å; K63-S65 PolarHBondContact O-N 3.24Å; K63-L66 WeakPolarHBondContact O-CB 3.39Å; K63-L66 PolarHBondContact O-N 3.43Å; K63-L66 VanDerWaalsContact O-N 3.15Å; K63-L67 PolarHBondContact O-N 3.47Å; K63-D106 WeakPolarHBondContact CB-OD1 3.43Å; K63-T107 WeakPolarHBondContact CE-O 3.05Å; K63-L130 HydrophobicContact CB-CD2 4.42Å; K63-L130 HydrophobicContact CG-CB 4.44Å; K63-L130 HydrophobicContact CG-CD1 4.31Å; K63-L130 HydrophobicContact CG-CD2 3.98Å; K63-L130 HydrophobicContact CG-CG 4.48Å
64T92.9Very high93.5Very high41 Ų4130 Ų3025%0.25219%0.187SC..Hα-helixtrans-58.6-45177.6-47.40000111.9L66 L67 V68 T83 D106T64-L66 VanDerWaalsContact C-N 3.32Å; T64-L66 PolarHBondContact O-N 3.34Å; T64-L67 PolarHBondContact O-N 3.19Å; T64-V68 WeakPolarHBondContact O-CG2 3.41Å; T64-V68 PolarHBondContact O-N 3.23Å; T64-T83 PolarHBondContact OG1-OG1 2.88Å; T64-D106 WeakPolarHBondContact CA-OD2 3.25Å; T64-D106 VanDerWaalsContact CB-OD2 3.25Å; T64-D106 WeakPolarHBondContact CB-OD2 3.14Å; T64-D106 WeakPolarHBondContact CG2-OD2 3.42Å; T64-D106 PolarHBondContact N-OD1 2.79Å; T64-D106 PolarHBondContact OG1-OD1 2.95Å; T64-D106 PolarHBondContact OG1-OD2 3.23Å
65S94.8Very high93.4Very high35 Ų3533.3 Ų33.325%0.24520%0.202CC..Hα-helixtrans-64.1-37.4178-49.90000112.4G62 K63 Q69G62-S65 PolarHBondContact O-N 2.71Å; K63-S65 PolarHBondContact O-N 3.24Å; S65-Q69 VanDerWaalsContact O-CB 3.3Å; S65-Q69 WeakPolarHBondContact O-CB 3.38Å; S65-Q69 PolarHBondContact O-N 3.31Å
66L96.6Very high93.1Very high0 Ų037.8 Ų37.80%022%0.224CC..Hα-helixtrans-62.9-44.7175-167.683.4000110.6G62 K63 T64 Q69 F70 L130 L162 V201 F205G62-L66 WeakPolarHBondContact O-CB 3.41Å; G62-L66 PolarHBondContact O-N 3.32Å; K63-L66 WeakPolarHBondContact O-CB 3.39Å; K63-L66 PolarHBondContact O-N 3.43Å; K63-L66 VanDerWaalsContact O-N 3.15Å; T64-L66 VanDerWaalsContact C-N 3.32Å; T64-L66 PolarHBondContact O-N 3.34Å; L66-Q69 PolarHBondContact O-N 3.15Å; L66-F70 WeakPolarHBondContact O-CB 3.45Å; L66-F70 PolarHBondContact O-N 3.25Å; L66-L130 HydrophobicContact CB-CD2 4.27Å; L66-L130 HydrophobicContact CD2-CD1 4.41Å; L66-L130 HydrophobicContact CD2-CD2 3.92Å; L66-L130 HydrophobicContact CD2-CG 4.45Å; L66-L162 HydrophobicContact CD2-CD1 3.71Å; L66-V201 HydrophobicContact CD1-CB 4.39Å; L66-V201 HydrophobicContact CD1-CG1 4.12Å; L66-V201 HydrophobicContact CD1-CG2 3.7Å; L66-V201 HydrophobicContact CG-CG1 4.29Å; L66-F205 HydrophobicContact CD2-CE2 4.04Å; L66-F205 HydrophobicContact CD2-CZ 4.23Å; L66-F205 HydrophobicContact CG-CE2 4.19Å
67L95.9Very high92.4Very high9 Ų942.6 Ų42.65%0.04726%0.256CS..Hα-helixtrans-63.3-46.5176.9-177.451.8000112.1L55 K63 T64 Q69 F70 D71 T89 I104 D106L55-L67 HydrophobicContact CD1-CB 3.85Å; L55-L67 HydrophobicContact CD1-CD2 4.49Å; K63-L67 PolarHBondContact O-N 3.47Å; T64-L67 PolarHBondContact O-N 3.19Å; L67-Q69 VanDerWaalsContact C-N 3.3Å; L67-Q69 PolarHBondContact O-N 3.18Å; L67-F70 PolarHBondContact O-N 3.06Å; L67-D71 WeakPolarHBondContact O-CB 3.36Å; L67-D71 PolarHBondContact O-N 2.73Å; L67-T89 HydrophobicContact CD1-CG2 4.41Å; L67-I104 HydrophobicContact CD1-CB 4.02Å; L67-I104 HydrophobicContact CD1-CD1 3.78Å; L67-I104 HydrophobicContact CD1-CG2 3.73Å; L67-I104 HydrophobicContact CD2-CG2 4.17Å; L67-D106 HydrophobicContact CD2-CB 3.76Å
68V93.8Very high91.2Very high31 Ų3145.2 Ų45.219%0.18828%0.282CS..Hα-helixtrans-62.4-40.2177.9174.90000110.8T64 F70 D71 Q72 I76T64-V68 WeakPolarHBondContact O-CG2 3.41Å; T64-V68 PolarHBondContact O-N 3.23Å; V68-F70 PolarHBondContact O-N 2.93Å; V68-D71 PolarHBondContact O-N 3.46Å; V68-Q72 WeakPolarHBondContact O-CB 3.43Å; V68-Q72 PolarHBondContact O-N 3.23Å; V68-I76 HydrophobicContact CG1-CD1 4.21Å; V68-I76 HydrophobicContact CG1-CG1 4.45Å
69Q96.3Very high90Very high30 Ų3047.4 Ų47.414%0.1430%0.3CS..Hα-helixtrans-64.2-40.3176.3-177.564.822.100111.7S65 L66 L67 G73 K74 A195 V201S65-Q69 VanDerWaalsContact O-CB 3.3Å; S65-Q69 WeakPolarHBondContact O-CB 3.38Å; S65-Q69 PolarHBondContact O-N 3.31Å; L66-Q69 PolarHBondContact O-N 3.15Å; L67-Q69 VanDerWaalsContact C-N 3.3Å; L67-Q69 PolarHBondContact O-N 3.18Å; Q69-G73 WeakPolarHBondContact O-CA 3.48Å; Q69-G73 PolarHBondContact O-N 2.99Å; Q69-K74 WeakPolarHBondContact CA-O 3.4Å; Q69-K74 PolarHBondContact N-O 3.27Å; Q69-K74 PolarHBondContact OE1-O 3.5Å; Q69-A195 HydrophobicContact CB-CB 4.48Å; Q69-A195 VanDerWaalsContact CD-O 3.3Å; Q69-A195 VanDerWaalsContact CG-O 3.28Å; Q69-A195 WeakPolarHBondContact CG-O 3.31Å; Q69-A195 PolarHBondContact OE1-O 3.06Å; Q69-V201 HydrophobicContact CB-CG1 4.24Å; Q69-V201 HydrophobicContact CG-CB 4.25Å; Q69-V201 HydrophobicContact CG-CG1 4.09Å; Q69-V201 HydrophobicContact CG-CG2 3.98Å
70F97.2Very high88.7Confident7 Ų753.4 Ų53.43%0.03132%0.319CS..Hα-helixtrans-69.2-43.5176.2176.6-122.1000112.6L66 L67 V68 K91 V93 L102 I104 V201 E202 F205L66-F70 WeakPolarHBondContact O-CB 3.45Å; L66-F70 PolarHBondContact O-N 3.25Å; L67-F70 PolarHBondContact O-N 3.06Å; V68-F70 PolarHBondContact O-N 2.93Å; F70-K91 HydrophobicContact CD1-CG 4.34Å; F70-K91 HydrophobicContact CE1-CB 3.83Å; F70-K91 HydrophobicContact CE1-CD 4.48Å; F70-K91 HydrophobicContact CE1-CG 3.53Å; F70-K91 HydrophobicContact CZ-CB 4.43Å; F70-K91 HydrophobicContact CZ-CG 3.75Å; F70-V93 HydrophobicContact CZ-CG2 3.71Å; F70-L102 HydrophobicContact CE1-CD1 4.48Å; F70-L102 HydrophobicContact CZ-CD1 4.49Å; F70-I104 HydrophobicContact CD1-CD1 3.78Å; F70-I104 HydrophobicContact CE1-CD1 3.59Å; F70-V201 HydrophobicContact CB-CG1 3.78Å; F70-E202 VanDerWaalsContact CD2-OE2 3.31Å; F70-E202 WeakPolarHBondContact CD2-OE2 3.26Å; F70-E202 VanDerWaalsContact CE2-OE2 3.31Å; F70-E202 WeakPolarHBondContact CE2-OE2 3.36Å; F70-F205 HydrophobicContact CB-CD2 3.74Å; F70-F205 HydrophobicContact CB-CE2 3.57Å; F70-F205 HydrophobicContact CB-CZ 4.26Å; F70-F205 HydrophobicContact CD1-CB 4.26Å; F70-F205 AromaticContact CD1-CD1 3.8Å; F70-F205 HydrophobicContact CD1-CD1 3.8Å; F70-F205 AromaticContact CD1-CD2 3.67Å; F70-F205 HydrophobicContact CD1-CD2 3.67Å; F70-F205 AromaticContact CD1-CE1 3.99Å; F70-F205 HydrophobicContact CD1-CE1 3.99Å; F70-F205 AromaticContact CD1-CE2 3.89Å; F70-F205 HydrophobicContact CD1-CE2 3.89Å; F70-F205 AromaticContact CD1-CG 3.64Å; F70-F205 HydrophobicContact CD1-CG 3.64Å; F70-F205 HydrophobicContact CD1-CZ 4.04Å; F70-F205 HydrophobicContact CD2-CB 3.89Å; F70-F205 AromaticContact CD2-CD2 3.53Å; F70-F205 HydrophobicContact CD2-CD2 3.53Å; F70-F205 HydrophobicContact CD2-CE2 4.27Å; F70-F205 AromaticContact CD2-CG 3.84Å; F70-F205 HydrophobicContact CD2-CG 3.84Å; F70-F205 HydrophobicContact CE1-CB 3.83Å; F70-F205 AromaticContact CE1-CD1 3.72Å; F70-F205 HydrophobicContact CE1-CD1 3.72Å; F70-F205 HydrophobicContact CE1-CD2 4.13Å; F70-F205 HydrophobicContact CE1-CE1 4.3Å; F70-F205 AromaticContact CE1-CG 3.62Å; F70-F205 HydrophobicContact CE1-CG 3.62Å; F70-F205 HydrophobicContact CE2-CB 3.44Å; F70-F205 VanDerWaalsContact CE2-CB 3.44Å; F70-F205 HydrophobicContact CE2-CD2 4.02Å; F70-F205 AromaticContact CE2-CG 3.85Å; F70-F205 HydrophobicContact CE2-CG 3.85Å; F70-F205 HydrophobicContact CG-CB 4.28Å; F70-F205 HydrophobicContact CG-CD1 4.34Å; F70-F205 AromaticContact CG-CD2 3.34Å; F70-F205 HydrophobicContact CG-CD2 3.34Å; F70-F205 AromaticContact CG-CE2 3.64Å; F70-F205 HydrophobicContact CG-CE2 3.64Å; F70-F205 AromaticContact CG-CG 3.74Å; F70-F205 HydrophobicContact CG-CG 3.74Å; F70-F205 HydrophobicContact CG-CZ 4.25Å; F70-F205 HydrophobicContact CZ-CB 3.39Å; F70-F205 HydrophobicContact CZ-CD1 4.21Å; F70-F205 HydrophobicContact CZ-CD2 4.29Å; F70-F205 AromaticContact CZ-CG 3.73Å; F70-F205 HydrophobicContact CZ-CG 3.73Å
71D94.5Very high87.5Confident36 Ų3654.8 Ų54.819%0.19332%0.321CS..Hα-helixtrans-74-44-176.8-177.145.2000112.1L67 V68 T89 K91L67-D71 WeakPolarHBondContact O-CB 3.36Å; L67-D71 PolarHBondContact O-N 2.73Å; V68-D71 PolarHBondContact O-N 3.46Å; D71-T89 HydrophobicContact CB-CG2 4.32Å; D71-K91 PolarHBondContact O-NZ 3.27Å; D71-K91 WeakPolarHBondContact OD1-CD 3.34Å; D71-K91 IonicContact OD1-NZ 3.77Å; D71-K91 PolarHBondContact OD1-NZ 3.06Å
72Q93.2Very high86.3Confident101 Ų10157.3 Ų57.347%0.47234%0.341SS..Hα-helixtrans-114.6-7.3-167.7-55.5178.518.300113.8V68 K74V68-Q72 WeakPolarHBondContact O-CB 3.43Å; V68-Q72 PolarHBondContact O-N 3.23Å; Q72-K74 HydrophobicContact CB-CB 4.37Å; Q72-K74 HydrophobicContact CB-CD 4.47Å; Q72-K74 PolarHBondContact O-N 3.44Å
73G92.9Very high84.9Confident53 Ų5358.7 Ų58.755%0.54635%0.347SS..SBendtrans66.421.2-17400000113.4Q69Q69-G73 WeakPolarHBondContact O-CA 3.48Å; Q69-G73 PolarHBondContact O-N 2.99Å
74K90.9Very high83.4Confident130 Ų13064.8 Ų64.857%0.56539%0.385SS*.  trans-127.8145.7-172-68.6174.4-172.3175.30112.3Q69 Q72Q69-K74 WeakPolarHBondContact CA-O 3.4Å; Q69-K74 PolarHBondContact N-O 3.27Å; Q69-K74 PolarHBondContact OE1-O 3.5Å; Q72-K74 HydrophobicContact CB-CB 4.37Å; Q72-K74 HydrophobicContact CB-CD 4.47Å; Q72-K74 PolarHBondContact O-N 3.44Å
75F90.3Very high82.1Confident71 Ų7164.7 Ų64.731%0.31139%0.393SS..  trans-108.8133.3166-177.5-103000109.4P77 A195 K196F75-P77 HydrophobicContact CD1-CG 4.07Å; F75-P77 HydrophobicContact CE1-CB 4.27Å; F75-P77 HydrophobicContact CE1-CG 4.23Å; F75-P77 WeakPolarHBondContact O-CD 3.43Å; F75-A195 HydrophobicContact CD2-CB 4.32Å; F75-K196 HydrophobicContact CD1-CB 4.31Å; F75-K196 HydrophobicContact CD1-CG 3.91Å; F75-K196 HydrophobicContact CD2-CB 4.14Å; F75-K196 HydrophobicContact CE1-CB 4.36Å; F75-K196 HydrophobicContact CE1-CG 4.01Å; F75-K196 HydrophobicContact CE2-CB 4.19Å; F75-K196 HydrophobicContact CG-CB 4.19Å; F75-K196 HydrophobicContact CG-CG 4.23Å; F75-K196 HydrophobicContact CZ-CB 4.3Å; F75-K196 HydrophobicContact CZ-CG 4.41Å
76I86.6Confident81Confident93 Ų9365.6 Ų65.648%0.47739%0.394SS..  trans-105.6100.7178-56175000108.2V68V68-I76 HydrophobicContact CG1-CD1 4.21Å; V68-I76 HydrophobicContact CG1-CG1 4.45Å
77P77.3Confident80.2Confident102 Ų10266.3 Ų66.366%0.66240%0.401SS*.THydrogen-bonded Turntrans-64.4147.1177.2-15.329.5000110.7F75 S79F75-P77 HydrophobicContact CD1-CG 4.07Å; F75-P77 HydrophobicContact CE1-CB 4.27Å; F75-P77 HydrophobicContact CE1-CG 4.23Å; F75-P77 WeakPolarHBondContact O-CD 3.43Å; P77-S79 PolarHBondContact O-N 2.93Å
78G68.7Low79.7Confident54 Ų5470.3 Ų70.356%0.55742%0.418SS*.THydrogen-bonded Turntrans80.1-7.7174.500000115.2F80G78-F80 VanDerWaalsContact CA-CE2 3.49Å; G78-F80 PolarHBondContact O-N 2.99Å
79S64.5Low79.6Confident71 Ų7169.9 Ų69.950%0.49742%0.416SS..  trans-78.771.8172.4-167.70000110.5P77P77-S79 PolarHBondContact O-N 2.93Å
80F63Low79.5Confident181 Ų18172 Ų7279%0.79443%0.428SS*.  trans-97.48.1178.1-58.4-70.9000113.2G78 A82G78-F80 VanDerWaalsContact CA-CE2 3.49Å; G78-F80 PolarHBondContact O-N 2.99Å; F80-A82 PolarHBondContact O-N 2.91Å
81S64.4Low79.4Confident84 Ų8474.2 Ų74.259%0.58744%0.438SS*.PPolyproline II helixtrans-61.9127.4178-610000109.7T83S81-T83 PolarHBondContact O-N 3.22Å
82A69.6Low79.5Confident53 Ų5377.4 Ų77.444%0.43845%0.451SS..PPolyproline II helixtrans-56.4128.317500000109.6F80 V84F80-A82 PolarHBondContact O-N 2.91Å; A82-V84 PolarHBondContact O-N 3.38Å
83T64.6Low79.5Confident40 Ų4073 Ų7325%0.24543%0.431CS..PPolyproline II helixtrans-60.4120.2174.5-48.80000108.6T64 S81 A108T64-T83 PolarHBondContact OG1-OG1 2.88Å; S81-T83 PolarHBondContact O-N 3.22Å; T83-A108 WeakPolarHBondContact O-CB 3.36Å
84V63.1Low79.6Confident138 Ų13874.6 Ų74.684%0.83643%0.431SS*.PPolyproline II helixtrans-94.5116.8174.7-179.30000107.6A82A82-V84 PolarHBondContact O-N 3.38Å
85G66.2Low79.5Confident40 Ų4068.7 Ų68.741%0.41241%0.405SS..SBendtrans82.8-146.6-179.600000113.5A108G85-A108 VanDerWaalsContact O-CB 3.31Å; G85-A108 WeakPolarHBondContact O-CB 3.38Å; G85-A108 PolarHBondContact O-N 2.93Å
86I71.5Confident79.4Confident54 Ų5469.8 Ų69.828%0.27742%0.415SS..EExtended strand (participates in β ladder)trans-129.9123.1-175.9-55.9176000108.8W105 D106 T107 Y120I86-W105 HydrophobicContact CG2-CB 4.18Å; I86-W105 HydrophobicContact CG2-CE3 3.72Å; I86-D106 CarbonylContact C-O 3.56Å; I86-D106 VanDerWaalsContact CA-O 3.24Å; I86-D106 WeakPolarHBondContact CA-O 3.45Å; I86-D106 WeakPolarHBondContact CG2-O 3.42Å; I86-T107 HydrophobicContact CG2-CG2 4.32Å; I86-Y120 HydrophobicContact CD1-CD1 4.28Å; I86-Y120 HydrophobicContact CD1-CD2 3.63Å; I86-Y120 HydrophobicContact CD1-CE1 3.91Å; I86-Y120 HydrophobicContact CD1-CE2 3.2Å; I86-Y120 HydrophobicContact CD1-CG 4.17Å
87G79.9Confident79.5Confident14 Ų1472.9 Ų72.914%0.14443%0.432CS..EExtended strand (participates in β ladder)trans-84.7151.717300000111.4W105 D106G87-W105 CarbonylContact O-C 3.55Å; G87-W105 WeakPolarHBondContact O-CA 3.18Å; G87-D106 PolarHBondContact N-O 3.04Å; G87-D106 PolarHBondContact O-N 3.47Å
88F86.3Confident80.1Confident93 Ų9369.5 Ų69.541%0.40841%0.41SS..EExtended strand (participates in β ladder)trans-132.3130.9178.9176.6-99.8000110.9N90 Q103 I104 W105F88-N90 WeakPolarHBondContact CE1-ND2 3.47Å; F88-Q103 HydrophobicContact CE2-CB 3.8Å; F88-Q103 HydrophobicContact CE2-CG 3.95Å; F88-Q103 HydrophobicContact CZ-CB 4.18Å; F88-Q103 HydrophobicContact CZ-CG 3.82Å; F88-I104 WeakPolarHBondContact CA-O 3.14Å; F88-W105 AromaticContact CD2-CD2 3.87Å; F88-W105 HydrophobicContact CD2-CD2 3.87Å; F88-W105 AromaticContact CD2-CE2 3.56Å; F88-W105 HydrophobicContact CD2-CE3 4.32Å; F88-W105 HydrophobicContact CD2-CG 4.32Å; F88-W105 HydrophobicContact CD2-CH2 4.28Å; F88-W105 AromaticContact CD2-CZ2 3.8Å; F88-W105 HydrophobicContact CD2-CZ2 3.8Å; F88-W105 AromaticContact CD2-NE1 3.77Å; F88-W105 AromaticContact CE2-CE2 3.8Å; F88-W105 AromaticContact CE2-CZ2 3.91Å; F88-W105 HydrophobicContact CE2-CZ2 3.91Å; F88-W105 AromaticContact CE2-NE1 3.73Å
89T91.6Very high81.2Confident22 Ų2273.2 Ų73.214%0.13541%0.41CS..EExtended strand (participates in β ladder)trans-135.6131.9179.1-590000110.2L67 D71 I104L67-T89 HydrophobicContact CD1-CG2 4.41Å; D71-T89 HydrophobicContact CB-CG2 4.32Å; T89-I104 PolarHBondContact N-O 2.92Å; T89-I104 PolarHBondContact O-N 3.36Å
90N93.7Very high82.7Confident75 Ų7569.8 Ų69.840%0.40139%0.387SS..EExtended strand (participates in β ladder)trans-94.5125.9168.2-78.3-54.7000109.3F88 K101 L102 Q103F88-N90 WeakPolarHBondContact CE1-ND2 3.47Å; N90-K101 WeakPolarHBondContact OD1-CE 3.44Å; N90-L102 WeakPolarHBondContact CA-O 3.36Å; N90-Q103 VanDerWaalsContact OD1-CG 3.28Å; N90-Q103 WeakPolarHBondContact OD1-CG 3.48Å
91K95.1Very high84.3Confident53 Ų5365.3 Ų65.323%0.2337%0.367CS..EExtended strand (participates in β ladder)trans-131.4130173.5-168.777.1173.8-163.90110.8F70 D71 L102 I104F70-K91 HydrophobicContact CD1-CG 4.34Å; F70-K91 HydrophobicContact CE1-CB 3.83Å; F70-K91 HydrophobicContact CE1-CD 4.48Å; F70-K91 HydrophobicContact CE1-CG 3.53Å; F70-K91 HydrophobicContact CZ-CB 4.43Å; F70-K91 HydrophobicContact CZ-CG 3.75Å; D71-K91 PolarHBondContact O-NZ 3.27Å; D71-K91 WeakPolarHBondContact OD1-CD 3.34Å; D71-K91 IonicContact OD1-NZ 3.77Å; D71-K91 PolarHBondContact OD1-NZ 3.06Å; K91-L102 PolarHBondContact N-O 3.18Å; K91-L102 PolarHBondContact O-N 3.21Å; K91-I104 HydrophobicContact CB-CD1 4.27Å
92E95.3Very high85.9Confident103 Ų10361.3 Ų61.348%0.48134%0.339SS..EExtended strand (participates in β ladder)trans-89.8130170.9-170.1176.299.800109.9K99 V100E92-K99 HydrophobicContact CG-CB 4Å; E92-K99 HydrophobicContact CG-CG 4.23Å; E92-K99 WeakPolarHBondContact OE1-CD 3.43Å; E92-K99 WeakPolarHBondContact OE1-CE 3.48Å; E92-K99 WeakPolarHBondContact OE1-CG 3.43Å; E92-K99 IonicContact OE1-NZ 2.71Å; E92-K99 PolarHBondContact OE1-NZ 2.99Å; E92-K99 IonicContact OE2-NZ 3.18Å; E92-V100 WeakPolarHBondContact CA-O 3.19Å
93V95.1Very high87.1Confident8 Ų861.6 Ų61.65%0.04833%0.331CS..EExtended strand (participates in β ladder)trans-120.5127.1176.6-173.80000108.2F70 V95 V100 L102 A209F70-V93 HydrophobicContact CZ-CG2 3.71Å; V93-V95 HydrophobicContact CG1-CG2 3.9Å; V93-V100 PolarHBondContact N-O 3.21Å; V93-V100 PolarHBondContact O-N 3.32Å; V93-L102 HydrophobicContact CG2-CD1 3.88Å; V93-L102 HydrophobicContact CG2-CG 4.22Å; V93-A209 HydrophobicContact CB-CB 4.22Å; V93-A209 HydrophobicContact CG1-CB 4.21Å
94T93.1Very high88.5Confident88 Ų8859.7 Ų59.754%0.5432%0.319SS..EExtended strand (participates in β ladder)trans-90.9115.1176.3-57.30000109.8V98T94-V98 CarbonylContact C-O 3.57Å; T94-V98 WeakPolarHBondContact CA-O 3.21Å
95V90.2Very high89.8Confident5 Ų556 Ų563%0.0329%0.29CS..EExtended strand (participates in β ladder)trans-122.8117.2-179.9-175.50000110.7V93 N97 V98 T206 A209 K210 K213V93-V95 HydrophobicContact CG1-CG2 3.9Å; V95-N97 VanDerWaalsContact C-N 3.28Å; V95-N97 PolarHBondContact O-N 3.32Å; V95-V98 PolarHBondContact N-O 2.8Å; V95-V98 PolarHBondContact O-N 2.89Å; V95-T206 HydrophobicContact CG2-CG2 4.38Å; V95-A209 HydrophobicContact CG2-CB 3.92Å; V95-K210 HydrophobicContact CG1-CB 3.62Å; V95-K210 HydrophobicContact CG1-CD 3.77Å; V95-K210 HydrophobicContact CG1-CG 3.62Å; V95-K213 PolarHBondContact O-NZ 2.9Å
96D88.2Confident90.9Very high95 Ų9554.2 Ų54.251%0.50827%0.272SS..THydrogen-bonded Turntrans48.249.5-174.6-37.5-54.4000111.8V98 K210 K213D96-V98 PolarHBondContact O-N 3.27Å; D96-V98 VanDerWaalsContact O-N 3.16Å; D96-K210 IonicContact OD1-NZ 3.15Å; D96-K210 PolarHBondContact OD1-NZ 3.42Å; D96-K210 WeakPolarHBondContact OD2-CE 3.42Å; D96-K210 IonicContact OD2-NZ 3.51Å; D96-K210 PolarHBondContact OD2-NZ 2.93Å; D96-K210 VanDerWaalsContact OD2-NZ 3.15Å; D96-K213 VanDerWaalsContact CB-NZ 3.3Å; D96-K213 IonicContact OD2-NZ 3.65Å; D96-K213 PolarHBondContact OD2-NZ 3.49Å
97N87.4Confident91.3Very high158 Ų15851.9 Ų51.985%0.84526%0.26SS*.THydrogen-bonded Turntrans63.49.7-177.5-54.8-34.1000116.1V95V95-N97 VanDerWaalsContact C-N 3.28Å; V95-N97 PolarHBondContact O-N 3.32Å
98V90.3Very high91Very high31 Ų3151.7 Ų51.719%0.18826%0.257CS..EExtended strand (participates in β ladder)trans-105.4132.5173.1-179.20000109.3L49 T94 V95 D96 K213L49-V98 HydrophobicContact CD1-CG1 3.58Å; T94-V98 CarbonylContact C-O 3.57Å; T94-V98 WeakPolarHBondContact CA-O 3.21Å; V95-V98 PolarHBondContact N-O 2.8Å; V95-V98 PolarHBondContact O-N 2.89Å; D96-V98 PolarHBondContact O-N 3.27Å; D96-V98 VanDerWaalsContact O-N 3.16Å; V98-K213 HydrophobicContact CB-CD 3.8Å; V98-K213 HydrophobicContact CG1-CD 4.02Å; V98-K213 HydrophobicContact CG2-CD 4.25Å
99K92.9Very high89.7Confident131 Ų13147.6 Ų47.657%0.5724%0.241SC*.EExtended strand (participates in β ladder)trans-80.6126.6176-69.6171.6166.7-131.20109.9E92E92-K99 HydrophobicContact CG-CB 4Å; E92-K99 HydrophobicContact CG-CG 4.23Å; E92-K99 WeakPolarHBondContact OE1-CD 3.43Å; E92-K99 WeakPolarHBondContact OE1-CE 3.48Å; E92-K99 WeakPolarHBondContact OE1-CG 3.43Å; E92-K99 IonicContact OE1-NZ 2.71Å; E92-K99 PolarHBondContact OE1-NZ 2.99Å; E92-K99 IonicContact OE2-NZ 3.18Å
100V95.6Very high88.1Confident0 Ų049 Ų490%025%0.246CC..EExtended strand (participates in β ladder)trans-118.9122176.7-176.20000108.1L49 E92 V93 L102 A209 K213L49-V100 HydrophobicContact CB-CG1 4.43Å; L49-V100 HydrophobicContact CD1-CG2 4.16Å; E92-V100 WeakPolarHBondContact CA-O 3.19Å; V93-V100 PolarHBondContact N-O 3.21Å; V93-V100 PolarHBondContact O-N 3.32Å; V100-L102 HydrophobicContact CG1-CD2 4.21Å; V100-A209 HydrophobicContact CB-CB 4.31Å; V100-A209 HydrophobicContact CG1-CB 4.14Å; V100-K213 HydrophobicContact CG2-CB 3.98Å; V100-K213 HydrophobicContact CG2-CD 4.33Å; V100-K213 HydrophobicContact CG2-CG 4.32Å
101K96.4Very high86.2Confident86 Ų8650.7 Ų50.737%0.37425%0.251SS..EExtended strand (participates in β ladder)trans-93.6110.9178.9-174.1176.9-175175.50110.2L49 V50 H51 N90L49-K101 PolarHBondContact O-N 2.71Å; V50-K101 CarbonylContact C-O 3.44Å; V50-K101 WeakPolarHBondContact CA-O 3.22Å; V50-K101 HydrophobicContact CG1-CD 4.36Å; V50-K101 HydrophobicContact CG1-CG 4.44Å; V50-K101 HydrophobicContact CG2-CB 4.19Å; V50-K101 HydrophobicContact CG2-CD 4.04Å; H51-K101 PolarHBondContact N-O 3.39Å; N90-K101 WeakPolarHBondContact OD1-CE 3.44Å
102L96.8Very high84.3Confident0 Ų056.8 Ų56.80%027%0.273CS..EExtended strand (participates in β ladder)trans-86.9123.8172.3-57.8-176.7000110.2H51 F70 N90 K91 V93 V100 I104 F205 A209 L212H51-L102 HydrophobicContact CB-CD2 4.4Å; H51-L102 WeakPolarHBondContact O-CA 3.28Å; F70-L102 HydrophobicContact CE1-CD1 4.48Å; F70-L102 HydrophobicContact CZ-CD1 4.49Å; N90-L102 WeakPolarHBondContact CA-O 3.36Å; K91-L102 PolarHBondContact N-O 3.18Å; K91-L102 PolarHBondContact O-N 3.21Å; V93-L102 HydrophobicContact CG2-CD1 3.88Å; V93-L102 HydrophobicContact CG2-CG 4.22Å; V100-L102 HydrophobicContact CG1-CD2 4.21Å; L102-I104 HydrophobicContact CB-CD1 4.1Å; L102-I104 HydrophobicContact CB-CG1 3.84Å; L102-F205 HydrophobicContact CD1-CB 4.28Å; L102-F205 HydrophobicContact CD1-CD1 4.17Å; L102-A209 HydrophobicContact CD1-CB 4.34Å; L102-A209 HydrophobicContact CD2-CB 4.2Å; L102-L212 HydrophobicContact CD2-CD1 4.19Å
103Q95.4Very high82.4Confident59 Ų5956.6 Ų56.628%0.27627%0.271SS..EExtended strand (participates in β ladder)trans-95.993.6169.3-82.4-173.5-12.900108.4V50 H51 K52 T53 F88 N90 W105V50-Q103 HydrophobicContact CG1-CG 3.73Å; H51-Q103 PolarHBondContact O-N 2.97Å; K52-Q103 WeakPolarHBondContact CA-O 3.39Å; T53-Q103 PolarHBondContact N-O 3.44Å; T53-Q103 VanDerWaalsContact O-O 3.11Å; F88-Q103 HydrophobicContact CE2-CB 3.8Å; F88-Q103 HydrophobicContact CE2-CG 3.95Å; F88-Q103 HydrophobicContact CZ-CB 4.18Å; F88-Q103 HydrophobicContact CZ-CG 3.82Å; N90-Q103 VanDerWaalsContact OD1-CG 3.28Å; N90-Q103 WeakPolarHBondContact OD1-CG 3.48Å; Q103-W105 VanDerWaalsContact O-CD1 3.26Å
104I94.6Very high80.7Confident0 Ų058.8 Ų58.80%028%0.278CS..EExtended strand (participates in β ladder)trans-95.6122.8-168.7-51.7166000110.2T53 L55 L67 F70 F88 T89 K91 L102 F205T53-I104 CarbonylContact O-C 3.54Å; T53-I104 VanDerWaalsContact O-CA 3.27Å; T53-I104 WeakPolarHBondContact O-CA 3.33Å; L55-I104 HydrophobicContact CD1-CG2 4.31Å; L55-I104 HydrophobicContact CD2-CG2 4.17Å; L55-I104 HydrophobicContact CG-CG2 4.01Å; L67-I104 HydrophobicContact CD1-CB 4.02Å; L67-I104 HydrophobicContact CD1-CD1 3.78Å; L67-I104 HydrophobicContact CD1-CG2 3.73Å; L67-I104 HydrophobicContact CD2-CG2 4.17Å; F70-I104 HydrophobicContact CD1-CD1 3.78Å; F70-I104 HydrophobicContact CE1-CD1 3.59Å; F88-I104 WeakPolarHBondContact CA-O 3.14Å; T89-I104 PolarHBondContact N-O 2.92Å; T89-I104 PolarHBondContact O-N 3.36Å; K91-I104 HydrophobicContact CB-CD1 4.27Å; L102-I104 HydrophobicContact CB-CD1 4.1Å; L102-I104 HydrophobicContact CB-CG1 3.84Å; I104-F205 HydrophobicContact CD1-CD1 3.97Å; I104-F205 HydrophobicContact CD1-CE1 3.73Å; I104-F205 HydrophobicContact CG1-CE1 4.38Å; I104-F205 HydrophobicContact CG2-CE1 4.31Å
105W91.1Very high78.9Confident61 Ų6159 Ų5923%0.23128%0.283CS..EExtended strand (participates in β ladder)trans-104.6113.2177.9-60.873.8000109.5T53 I54 L55 I86 G87 F88 Q103 Y120T53-W105 PolarHBondContact O-N 3.13Å; I54-W105 HydrophobicContact CB-CB 4.5Å; I54-W105 HydrophobicContact CG1-CB 4.18Å; I54-W105 HydrophobicContact CG1-CG 4.49Å; I54-W105 HydrophobicContact CG2-CB 4.29Å; L55-W105 PolarHBondContact N-O 3.23Å; I86-W105 HydrophobicContact CG2-CB 4.18Å; I86-W105 HydrophobicContact CG2-CE3 3.72Å; G87-W105 CarbonylContact O-C 3.55Å; G87-W105 WeakPolarHBondContact O-CA 3.18Å; F88-W105 AromaticContact CD2-CD2 3.87Å; F88-W105 HydrophobicContact CD2-CD2 3.87Å; F88-W105 AromaticContact CD2-CE2 3.56Å; F88-W105 HydrophobicContact CD2-CE3 4.32Å; F88-W105 HydrophobicContact CD2-CG 4.32Å; F88-W105 HydrophobicContact CD2-CH2 4.28Å; F88-W105 AromaticContact CD2-CZ2 3.8Å; F88-W105 HydrophobicContact CD2-CZ2 3.8Å; F88-W105 AromaticContact CD2-NE1 3.77Å; F88-W105 AromaticContact CE2-CE2 3.8Å; F88-W105 AromaticContact CE2-CZ2 3.91Å; F88-W105 HydrophobicContact CE2-CZ2 3.91Å; F88-W105 AromaticContact CE2-NE1 3.73Å; Q103-W105 VanDerWaalsContact O-CD1 3.26Å; W105-Y120 HydrophobicContact CE3-CD1 4.08Å; W105-Y120 HydrophobicContact CE3-CE1 4.01Å; W105-Y120 HydrophobicContact CH2-CE1 4.42Å; W105-Y120 HydrophobicContact CZ3-CD1 4.19Å; W105-Y120 AromaticContact CZ3-CE1 3.75Å; W105-Y120 HydrophobicContact CZ3-CE1 3.75Å
106D88.3Confident77.4Confident3 Ų362 Ų622%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-89.8112.7173.6-179.238.8000109.6K63 T64 L67 I86 G87K63-D106 WeakPolarHBondContact CB-OD1 3.43Å; T64-D106 WeakPolarHBondContact CA-OD2 3.25Å; T64-D106 VanDerWaalsContact CB-OD2 3.25Å; T64-D106 WeakPolarHBondContact CB-OD2 3.14Å; T64-D106 WeakPolarHBondContact CG2-OD2 3.42Å; T64-D106 PolarHBondContact N-OD1 2.79Å; T64-D106 PolarHBondContact OG1-OD1 2.95Å; T64-D106 PolarHBondContact OG1-OD2 3.23Å; L67-D106 HydrophobicContact CD2-CB 3.76Å; I86-D106 CarbonylContact C-O 3.56Å; I86-D106 VanDerWaalsContact CA-O 3.24Å; I86-D106 WeakPolarHBondContact CA-O 3.45Å; I86-D106 WeakPolarHBondContact CG2-O 3.42Å; G87-D106 PolarHBondContact N-O 3.04Å; G87-D106 PolarHBondContact O-N 3.47Å
107T80.8Confident76.2Confident4 Ų457.8 Ų57.83%0.02528%0.279CS..EExtended strand (participates in β ladder)trans-94.2144.3-175.364.60000111.6I54 L55 K63 I86 G109 T117I54-T107 HydrophobicContact CG2-CG2 3.63Å; L55-T107 PolarHBondContact O-OG1 3.06Å; K63-T107 WeakPolarHBondContact CE-O 3.05Å; I86-T107 HydrophobicContact CG2-CG2 4.32Å; T107-G109 PolarHBondContact O-N 3.43Å; T107-T117 HydrophobicContact CG2-CG2 4.35Å
108A72.9Confident75.3Confident11 Ų1152.5 Ų52.59%0.09125%0.249CC..  trans-57.2122.716400000109.6T83 G85 Q110T83-A108 WeakPolarHBondContact O-CB 3.36Å; G85-A108 VanDerWaalsContact O-CB 3.31Å; G85-A108 WeakPolarHBondContact O-CB 3.38Å; G85-A108 PolarHBondContact O-N 2.93Å; A108-Q110 PolarHBondContact O-N 2.9Å; A108-Q110 VanDerWaalsContact O-N 3.07Å
109G59Low74.1Confident7 Ų754.4 Ų54.47%0.07227%0.269CS..  trans-74.713.5176.200000114.5D58 S59 T107 E111D58-G109 CarbonylContact C-O 3.48Å; S59-G109 WeakPolarHBondContact CA-O 3.5Å; S59-G109 WeakPolarHBondContact CB-O 3.47Å; S59-G109 PolarHBondContact N-O 3.41Å; T107-G109 PolarHBondContact O-N 3.43Å; G109-E111 PolarHBondContact O-N 3.18Å
110Q57.9Low72.8Confident51 Ų5151.7 Ų51.724%0.23826%0.255CS..  trans-75.9115.7177-83.4-145-0.100109.8A108 R112 F113A108-Q110 PolarHBondContact O-N 2.9Å; A108-Q110 VanDerWaalsContact O-N 3.07Å; Q110-R112 PolarHBondContact O-N 2.67Å; Q110-F113 HydrophobicContact CB-CD2 3.65Å; Q110-F113 HydrophobicContact CB-CE2 3.91Å; Q110-F113 PolarHBondContact O-N 2.88Å
111E54.6Low71.6Confident110 Ų11051.7 Ų51.751%0.51426%0.255SS..G310 helixtrans-48.3-26.6173.164.2-66.1152.900113.6G109 F113 R114G109-E111 PolarHBondContact O-N 3.18Å; E111-F113 PolarHBondContact O-N 3.15Å; E111-R114 WeakPolarHBondContact O-CG 3.48Å; E111-R114 PolarHBondContact O-N 3.11Å
112R53.9Low70.5Confident182 Ų18256.2 Ų56.269%0.68727%0.27SS*.G310 helixtrans-70.2-10.6176.1-61.3-172.4-64.6-179.61.4114.5Q110Q110-R112 PolarHBondContact O-N 2.67Å
113F55.8Low69.8Low98 Ų9860.3 Ų60.343%0.4329%0.292SS..G310 helixtrans-111.413.2178.6-57.7-66.9000113.9Q110 E111 S115 V116 T117Q110-F113 HydrophobicContact CB-CD2 3.65Å; Q110-F113 HydrophobicContact CB-CE2 3.91Å; Q110-F113 PolarHBondContact O-N 2.88Å; E111-F113 PolarHBondContact O-N 3.15Å; F113-S115 PolarHBondContact O-N 3.48Å; F113-S115 VanDerWaalsContact O-N 3.12Å; F113-V116 HydrophobicContact CB-CB 4.37Å; F113-V116 HydrophobicContact CB-CG2 4.43Å; F113-V116 HydrophobicContact CD1-CG2 4.46Å; F113-V116 WeakPolarHBondContact O-CA 3.42Å; F113-V116 VanDerWaalsContact O-CB 3.3Å; F113-V116 WeakPolarHBondContact O-CB 3.41Å; F113-V116 PolarHBondContact O-N 3.48Å; F113-T117 PolarHBondContact O-N 2.87Å; F113-T117 PolarHBondContact O-OG1 3.3Å
114R58.7Low69.6Low54 Ų5457.5 Ų57.520%0.20428%0.279CS..Hα-helixtrans-50.7-38.5179.7-80.8-175.2164.5-171.22.6113.9E111 V116 T117 H118 W145 E148E111-R114 WeakPolarHBondContact O-CG 3.48Å; E111-R114 PolarHBondContact O-N 3.11Å; R114-V116 VanDerWaalsContact C-N 3.3Å; R114-V116 PolarHBondContact O-N 3.48Å; R114-T117 WeakPolarHBondContact O-CB 3.5Å; R114-T117 PolarHBondContact O-N 3.35Å; R114-T117 VanDerWaalsContact O-N 3.11Å; R114-H118 PolarHBondContact O-CD2 3.17Å; R114-H118 PolarHBondContact O-N 2.93Å; R114-W145 HydrophobicContact CG-CH2 3.99Å; R114-W145 HydrophobicContact CG-CZ3 4.29Å; R114-E148 WeakPolarHBondContact CD-OE1 3.11Å; R114-E148 IonicContact CZ-OE1 2.7Å; R114-E148 IonicContact CZ-OE2 3.95Å; R114-E148 IonicContact NE-OE1 3.84Å; R114-E148 IonicContact NE-OE2 3.36Å; R114-E148 IonicContact NH1-OE1 3.62Å; R114-E148 PolarHBondContact NH1-OE1 3.07Å; R114-E148 IonicContact NH1-OE2 3.69Å
115S57Low69.6Low93 Ų9361 Ų6165%0.6530%0.295SS*.Hα-helixtrans-63.6-31.3175.155.40000113.9F113F113-S115 PolarHBondContact O-N 3.48Å; F113-S115 VanDerWaalsContact O-N 3.12Å
116V57.3Low69.8Low68 Ų6858 Ų5841%0.41228%0.284SS..Hα-helixtrans-71-38174.1178.90000109.8F113 R114 H118 A119 Y120F113-V116 HydrophobicContact CB-CB 4.37Å; F113-V116 HydrophobicContact CB-CG2 4.43Å; F113-V116 HydrophobicContact CD1-CG2 4.46Å; F113-V116 WeakPolarHBondContact O-CA 3.42Å; F113-V116 VanDerWaalsContact O-CB 3.3Å; F113-V116 WeakPolarHBondContact O-CB 3.41Å; F113-V116 PolarHBondContact O-N 3.48Å; R114-V116 VanDerWaalsContact C-N 3.3Å; R114-V116 PolarHBondContact O-N 3.48Å; V116-H118 VanDerWaalsContact C-N 3.3Å; V116-H118 PolarHBondContact O-N 3.5Å; V116-A119 PolarHBondContact O-N 3.41Å; V116-Y120 HydrophobicContact CG1-CE2 3.91Å; V116-Y120 WeakPolarHBondContact O-CD2 3.44Å; V116-Y120 WeakPolarHBondContact O-CE2 3.27Å
117T63.5Low70.1Confident7 Ų757.9 Ų57.94%0.04328%0.283CS..Hα-helixtrans-64.7-32.2179.6-36.50000112.7V56 T107 F113 R114 A119 Y120 Y121V56-T117 HydrophobicContact CG1-CG2 4.49Å; T107-T117 HydrophobicContact CG2-CG2 4.35Å; F113-T117 PolarHBondContact O-N 2.87Å; F113-T117 PolarHBondContact O-OG1 3.3Å; R114-T117 WeakPolarHBondContact O-CB 3.5Å; R114-T117 PolarHBondContact O-N 3.35Å; R114-T117 VanDerWaalsContact O-N 3.11Å; T117-A119 VanDerWaalsContact C-N 3.27Å; T117-A119 PolarHBondContact O-N 2.83Å; T117-Y120 PolarHBondContact O-N 2.88Å; T117-Y121 HydrophobicContact CG2-CD1 4.27Å; T117-Y121 HydrophobicContact CG2-CE1 3.33Å; T117-Y121 HydrophobicContact CG2-CE2 4.49Å; T117-Y121 VanDerWaalsContact CG2-CZ 3.46Å; T117-Y121 VanDerWaalsContact CG2-OH 3.28Å; T117-Y121 WeakPolarHBondContact CG2-OH 3.18Å; T117-Y121 WeakPolarHBondContact O-CD1 3.34Å; T117-Y121 PolarHBondContact O-N 2.89Å
118H69.1Low70.9Confident46 Ų4657.7 Ų57.721%0.21328%0.282CS..Hα-helixtrans-57-39177.9-66.2-172.7000112.8R114 V116 Y120 Y121 Y152R114-H118 PolarHBondContact O-CD2 3.17Å; R114-H118 PolarHBondContact O-N 2.93Å; V116-H118 VanDerWaalsContact C-N 3.3Å; V116-H118 PolarHBondContact O-N 3.5Å; H118-Y120 PolarHBondContact O-N 3.44Å; H118-Y121 AromaticContact CD2-CE2 3.68Å; H118-Y121 PolarHBondContact O-N 2.79Å; H118-Y152 HydrophobicContact CB-CG 4.44Å; H118-Y152 AromaticContact CE1-CD2 3.57Å; H118-Y152 AromaticContact CE1-CE2 3.24Å; H118-Y152 WeakPolarHBondContact CE1-CE2 3.38Å; H118-Y152 AromaticContact CE1-CZ 3.62Å; H118-Y152 AromaticContact ND1-CD1 3.95Å; H118-Y152 AromaticContact ND1-CD2 3.71Å; H118-Y152 AromaticContact ND1-CE1 3.78Å; H118-Y152 AromaticContact ND1-CE2 3.6Å; H118-Y152 AromaticContact ND1-CG 3.93Å; H118-Y152 AromaticContact ND1-CZ 3.64Å; H118-Y152 AromaticContact NE2-CD2 3.8Å; H118-Y152 AromaticContact NE2-CE2 3.84Å
119A63.8Low72Confident72 Ų7257.2 Ų57.260%0.59528%0.277SS*.Hα-helixtrans-63-26.9177.800000112.5V116 T117V116-A119 PolarHBondContact O-N 3.41Å; T117-A119 VanDerWaalsContact C-N 3.27Å; T117-A119 PolarHBondContact O-N 2.83Å
120Y66.9Low73.8Confident73 Ų7356.9 Ų56.929%0.28627%0.274SS..Hα-helixtrans-85.3-26.2-179.2-65.4-88.5000113K52 I54 I86 W105 V116 T117 H118 R122K52-Y120 WeakPolarHBondContact CE-O 3.09Å; K52-Y120 PolarHBondContact NZ-O 2.91Å; I54-Y120 VanDerWaalsContact CD1-O 3.24Å; I54-Y120 WeakPolarHBondContact CD1-O 3.29Å; I86-Y120 HydrophobicContact CD1-CD1 4.28Å; I86-Y120 HydrophobicContact CD1-CD2 3.63Å; I86-Y120 HydrophobicContact CD1-CE1 3.91Å; I86-Y120 HydrophobicContact CD1-CE2 3.2Å; I86-Y120 HydrophobicContact CD1-CG 4.17Å; W105-Y120 HydrophobicContact CE3-CD1 4.08Å; W105-Y120 HydrophobicContact CE3-CE1 4.01Å; W105-Y120 HydrophobicContact CH2-CE1 4.42Å; W105-Y120 HydrophobicContact CZ3-CD1 4.19Å; W105-Y120 AromaticContact CZ3-CE1 3.75Å; W105-Y120 HydrophobicContact CZ3-CE1 3.75Å; V116-Y120 HydrophobicContact CG1-CE2 3.91Å; V116-Y120 WeakPolarHBondContact O-CD2 3.44Å; V116-Y120 WeakPolarHBondContact O-CE2 3.27Å; T117-Y120 PolarHBondContact O-N 2.88Å; H118-Y120 PolarHBondContact O-N 3.44Å; Y120-R122 VanDerWaalsContact C-N 3.29Å; Y120-R122 PolarHBondContact O-N 2.8Å
121Y70.6Confident75.7Confident0 Ų054.4 Ų54.40%026%0.263CS..Hα-helixtrans-63.6-31.9179.6-60.1-24.7000113.6V56 T117 H118 D123 A124 L127 W145V56-Y121 HydrophobicContact CG1-CE1 3.89Å; T117-Y121 HydrophobicContact CG2-CD1 4.27Å; T117-Y121 HydrophobicContact CG2-CE1 3.33Å; T117-Y121 HydrophobicContact CG2-CE2 4.49Å; T117-Y121 VanDerWaalsContact CG2-CZ 3.46Å; T117-Y121 VanDerWaalsContact CG2-OH 3.28Å; T117-Y121 WeakPolarHBondContact CG2-OH 3.18Å; T117-Y121 WeakPolarHBondContact O-CD1 3.34Å; T117-Y121 PolarHBondContact O-N 2.89Å; H118-Y121 AromaticContact CD2-CE2 3.68Å; H118-Y121 PolarHBondContact O-N 2.79Å; Y121-D123 PolarHBondContact O-N 2.77Å; Y121-D123 VanDerWaalsContact O-N 3.1Å; Y121-A124 WeakPolarHBondContact O-CB 3.15Å; Y121-A124 PolarHBondContact O-N 2.81Å; Y121-A124 VanDerWaalsContact O-N 3.07Å; Y121-L127 HydrophobicContact CD1-CD2 4.05Å; Y121-L127 HydrophobicContact CE1-CD2 4.2Å; Y121-W145 WeakPolarHBondContact OH-CZ3 3.2Å
122R72.3Confident77.8Confident181 Ų18149.6 Ų49.668%0.68324%0.24SC*.THydrogen-bonded Turntrans-57.3-30.3-172.7-173.7176.6-178.5128.42.9114.3Y120 Q154Y120-R122 VanDerWaalsContact C-N 3.29Å; Y120-R122 PolarHBondContact O-N 2.8Å; R122-Q154 WeakPolarHBondContact O-CG 3.49Å; R122-Q154 PolarHBondContact O-NE2 3.15Å
123D83.3Confident79.9Confident87 Ų8740.9 Ų40.947%0.46521%0.208SC..THydrogen-bonded Turntrans-118.716.8-179.1-47-47.5000111.9K52 Y121K52-D123 HydrophobicContact CD-CB 4.42Å; K52-D123 WeakPolarHBondContact CD-O 3.37Å; Y121-D123 PolarHBondContact O-N 2.77Å; Y121-D123 VanDerWaalsContact O-N 3.1Å
124A90.6Very high82Confident0 Ų037.9 Ų37.90%020%0.197CC..  trans-75.6126.9176.100000109.5I54 Y121 L127 V157I54-A124 HydrophobicContact CD1-CB 3.68Å; I54-A124 HydrophobicContact CG1-CB 4.05Å; Y121-A124 WeakPolarHBondContact O-CB 3.15Å; Y121-A124 PolarHBondContact O-N 2.81Å; Y121-A124 VanDerWaalsContact O-N 3.07Å; A124-L127 HydrophobicContact CB-CG 4.4Å; A124-V157 HydrophobicContact CB-CG2 4.3Å; A124-V157 WeakPolarHBondContact O-CG2 3.4Å
125H94.5Very high83.8Confident72 Ų7238.4 Ų38.433%0.33320%0.204SC..SBendtrans-86.9-29.2169.3-52.398.3000110.9H51 K52 V158 L212H51-H125 HydrophobicContact CB-CB 4.21Å; H51-H125 AromaticContact ND1-CG 3.85Å; K52-H125 PolarHBondContact N-ND1 3.28Å; K52-H125 PolarHBondContact O-N 2.71Å; H125-V158 PolarHBondContact O-N 3.43Å; H125-L212 HydrophobicContact CB-CD2 3.6Å; H125-L212 WeakPolarHBondContact O-CD2 3.42Å
126A95.7Very high85.7Confident0 Ų039.7 Ų39.70%020%0.198CC..EExtended strand (participates in β ladder)trans-140.7150174.500000113.8K52 T53 I54 V158 V208 L212K52-A126 PolarHBondContact O-N 2.84Å; K52-A126 VanDerWaalsContact O-N 3.16Å; T53-A126 CarbonylContact C-O 3.47Å; T53-A126 VanDerWaalsContact CA-O 3.31Å; T53-A126 WeakPolarHBondContact CA-O 3.31Å; T53-A126 HydrophobicContact CG2-CB 4.13Å; I54-A126 PolarHBondContact N-O 3.02Å; A126-V158 CarbonylContact C-O 3.59Å; A126-V158 WeakPolarHBondContact CA-O 3.32Å; A126-V158 HydrophobicContact CB-CB 4.05Å; A126-V208 HydrophobicContact CB-CG1 3.39Å; A126-L212 HydrophobicContact CB-CD1 3.99Å; A126-L212 HydrophobicContact CB-CD2 4.43Å
127L94.8Very high87.6Confident0 Ų039.6 Ų39.60%020%0.2CC..EExtended strand (participates in β ladder)trans-128.4118.1176.7-72.6157.7000109.1I54 V56 Y121 A124 I149 A153 V157 V158 I159 M160I54-L127 HydrophobicContact CB-CD2 3.89Å; I54-L127 HydrophobicContact CG2-CD2 4.45Å; I54-L127 WeakPolarHBondContact O-CA 3.5Å; V56-L127 HydrophobicContact CG1-CD2 3.92Å; V56-L127 HydrophobicContact CG2-CD2 4.16Å; Y121-L127 HydrophobicContact CD1-CD2 4.05Å; Y121-L127 HydrophobicContact CE1-CD2 4.2Å; A124-L127 HydrophobicContact CB-CG 4.4Å; L127-I149 HydrophobicContact CD1-CB 4.36Å; L127-I149 HydrophobicContact CD1-CD1 4.25Å; L127-I149 HydrophobicContact CD1-CG1 4.05Å; L127-I149 HydrophobicContact CD1-CG2 3.42Å; L127-I149 VanDerWaalsContact CD1-CG2 3.42Å; L127-A153 HydrophobicContact CD1-CB 4.23Å; L127-V157 HydrophobicContact CD1-CG1 4.14Å; L127-V157 HydrophobicContact CD1-CG2 3.67Å; L127-V157 HydrophobicContact CG-CG2 3.98Å; L127-V158 PolarHBondContact N-O 2.86Å; L127-I159 HydrophobicContact CB-CG1 4.48Å; L127-I159 HydrophobicContact CD1-CG1 4.41Å; L127-I159 WeakPolarHBondContact O-CA 3.2Å; L127-M160 PolarHBondContact O-N 2.94Å
128L96.8Very high89.2Confident0 Ų039.3 Ų39.30%020%0.198CC..EExtended strand (participates in β ladder)trans-95.7108.9167.8-64.8-176.4000107.9T53 I54 L55 V56 L130 M160 L162 F205 V208T53-L128 HydrophobicContact CG2-CD1 4.49Å; T53-L128 HydrophobicContact CG2-CG 4.29Å; I54-L128 PolarHBondContact O-N 2.85Å; L55-L128 HydrophobicContact CD2-CB 3.72Å; L55-L128 HydrophobicContact CD2-CD1 3.67Å; L55-L128 HydrophobicContact CD2-CG 4.11Å; V56-L128 PolarHBondContact N-O 3.48Å; L128-L130 HydrophobicContact CB-CD1 4.09Å; L128-L130 WeakPolarHBondContact O-CD1 3.08Å; L128-M160 HydrophobicContact CD2-CB 3.78Å; L128-M160 HydrophobicContact CD2-CG 4.27Å; L128-M160 HydrophobicContact CD2-SD 3.88Å; L128-L162 HydrophobicContact CB-CD1 4.07Å; L128-L162 HydrophobicContact CD1-CD1 4.29Å; L128-L162 HydrophobicContact CD2-CD1 4.28Å; L128-L162 HydrophobicContact CG-CD1 4.45Å; L128-F205 HydrophobicContact CD1-CD1 3.85Å; L128-F205 HydrophobicContact CD1-CE1 3.44Å; L128-F205 VanDerWaalsContact CD1-CE1 3.44Å; L128-F205 HydrophobicContact CD1-CE2 4.22Å; L128-F205 HydrophobicContact CD1-CG 4.4Å; L128-F205 HydrophobicContact CD1-CZ 3.65Å; L128-V208 HydrophobicContact CD2-CG2 3.71Å
129L96.2Very high90.6Very high0 Ų037.6 Ų37.60%019%0.19CC..EExtended strand (participates in β ladder)trans-98113.4-178176.859000110.2V56 I142 W145 L146 I149 M160 L161 L162V56-L129 HydrophobicContact CB-CD1 4.42Å; V56-L129 HydrophobicContact CG2-CB 3.94Å; V56-L129 HydrophobicContact CG2-CD1 3.77Å; V56-L129 HydrophobicContact CG2-CG 4.44Å; V56-L129 WeakPolarHBondContact O-CA 3.41Å; L129-I142 HydrophobicContact CD1-CD1 3.84Å; L129-I142 HydrophobicContact CD2-CD1 4.14Å; L129-I142 HydrophobicContact CD2-CG2 3.93Å; L129-I142 HydrophobicContact CG-CD1 3.79Å; L129-W145 HydrophobicContact CD1-CB 3.69Å; L129-W145 HydrophobicContact CD1-CG 3.9Å; L129-W145 HydrophobicContact CD2-CB 4.07Å; L129-L146 HydrophobicContact CD2-CD1 4.46Å; L129-L146 HydrophobicContact CD2-CD2 3.71Å; L129-L146 HydrophobicContact CD2-CG 3.69Å; L129-I149 HydrophobicContact CD2-CD1 4.29Å; L129-M160 PolarHBondContact N-O 2.85Å; L129-L161 HydrophobicContact CD2-CD1 4.29Å; L129-L161 HydrophobicContact CG-CD1 4.14Å; L129-L161 CarbonylContact O-C 3.53Å; L129-L161 WeakPolarHBondContact O-CA 3.45Å; L129-L162 PolarHBondContact O-N 3.07Å
130L97.4Very high92.1Very high0 Ų037.4 Ų37.40%018%0.18CC..EExtended strand (participates in β ladder)trans-104.8139.2-174.1-70.773.1000111.8V56 V61 K63 L66 L128 L162 N164V56-L130 PolarHBondContact O-N 3.17Å; V61-L130 HydrophobicContact CB-CB 4.44Å; V61-L130 HydrophobicContact CG2-CB 3.72Å; K63-L130 HydrophobicContact CB-CD2 4.42Å; K63-L130 HydrophobicContact CG-CB 4.44Å; K63-L130 HydrophobicContact CG-CD1 4.31Å; K63-L130 HydrophobicContact CG-CD2 3.98Å; K63-L130 HydrophobicContact CG-CG 4.48Å; L66-L130 HydrophobicContact CB-CD2 4.27Å; L66-L130 HydrophobicContact CD2-CD1 4.41Å; L66-L130 HydrophobicContact CD2-CD2 3.92Å; L66-L130 HydrophobicContact CD2-CG 4.45Å; L128-L130 HydrophobicContact CB-CD1 4.09Å; L128-L130 WeakPolarHBondContact O-CD1 3.08Å; L130-L162 WeakPolarHBondContact CA-O 3.32Å; L130-L162 HydrophobicContact CD1-CD1 3.98Å; L130-L162 HydrophobicContact CG-CB 4.03Å; L130-L162 HydrophobicContact CG-CD1 4.12Å; L130-N164 HydrophobicContact CD2-CB 4.47Å
131Y98.1Very high93.4Very high0 Ų036.6 Ų36.60%018%0.18CC..EExtended strand (participates in β ladder)trans-123167.7155.370.6-83.9000110.5I133 F139 I142 L161 L162 N164 I174 F190Y131-I133 HydrophobicContact CE2-CG2 3.97Å; Y131-F139 HydrophobicContact CD1-CD2 4.06Å; Y131-F139 HydrophobicContact CD2-CB 3.92Å; Y131-F139 AromaticContact CD2-CD2 3.83Å; Y131-F139 HydrophobicContact CD2-CD2 3.83Å; Y131-F139 HydrophobicContact CD2-CG 4.33Å; Y131-F139 AromaticContact CE1-CD2 3.93Å; Y131-F139 HydrophobicContact CE1-CD2 3.93Å; Y131-F139 HydrophobicContact CE1-CE2 4.26Å; Y131-F139 HydrophobicContact CE2-CB 4.41Å; Y131-F139 AromaticContact CE2-CD2 3.7Å; Y131-F139 HydrophobicContact CE2-CD2 3.7Å; Y131-F139 HydrophobicContact CE2-CE2 4.44Å; Y131-F139 HydrophobicContact CE2-CG 4.41Å; Y131-F139 HydrophobicContact CG-CB 4.32Å; Y131-F139 HydrophobicContact CG-CD2 4.01Å; Y131-F139 AromaticContact CZ-CD2 3.76Å; Y131-I142 HydrophobicContact CD1-CD1 4.45Å; Y131-I142 HydrophobicContact CD1-CG1 4.18Å; Y131-I142 HydrophobicContact CG-CG1 4.38Å; Y131-L161 HydrophobicContact CD1-CD1 4.01Å; Y131-L161 HydrophobicContact CD1-CG 4.48Å; Y131-L161 HydrophobicContact CE1-CD1 4.26Å; Y131-L161 HydrophobicContact CE1-CD2 4.45Å; Y131-L161 HydrophobicContact CE1-CG 4.25Å; Y131-L162 WeakPolarHBondContact CD1-O 3.09Å; Y131-L162 PolarHBondContact N-O 3.1Å; Y131-N164 PolarHBondContact O-N 3.07Å; Y131-I174 HydrophobicContact CE2-CB 4.26Å; Y131-I174 HydrophobicContact CE2-CG2 4.12Å; Y131-F190 AromaticContact CE1-CE2 3.91Å; Y131-F190 HydrophobicContact CE1-CE2 3.91Å; Y131-F190 WeakPolarHBondContact OH-CE2 3.38Å
132D97.9Very high94.6Very high8 Ų836.6 Ų36.64%0.04318%0.18CC..EExtended strand (participates in β ladder)trans-101.4123.4174.9170.8-1000109.8V61 T134 N135 S138 K165 I174V61-D132 HydrophobicContact CB-CB 4.32Å; V61-D132 HydrophobicContact CG1-CB 4.28Å; D132-T134 PolarHBondContact O-N 3.32Å; D132-T134 WeakPolarHBondContact OD1-CB 3.34Å; D132-T134 PolarHBondContact OD1-N 2.98Å; D132-T134 PolarHBondContact OD1-OG1 3.31Å; D132-T134 PolarHBondContact OD2-OG1 3Å; D132-T134 VanDerWaalsContact OD2-OG1 3.12Å; D132-N135 HydrophobicContact CB-CB 4.03Å; D132-N135 PolarHBondContact O-N 2.92Å; D132-S138 PolarHBondContact N-OG 2.99Å; D132-S138 PolarHBondContact O-OG 2.87Å; D132-K165 HydrophobicContact CB-CD 4.47Å; D132-K165 WeakPolarHBondContact OD1-CD 3.39Å; D132-K165 WeakPolarHBondContact OD2-CD 3.47Å; D132-K165 WeakPolarHBondContact OD2-CE 3.28Å; D132-K165 IonicContact OD2-NZ 3.35Å; D132-K165 PolarHBondContact OD2-NZ 2.96Å; D132-I174 WeakPolarHBondContact O-CD1 3.41Å
133I98.6Very high95.6Very high0 Ų032.2 Ų32.20%016%0.163CC..THydrogen-bonded Turntrans-63.9-13.8-177.466.4152000114.1Y131 N164 K165 R172 A173 I174Y131-I133 HydrophobicContact CE2-CG2 3.97Å; I133-N164 WeakPolarHBondContact CG1-O 3.36Å; I133-N164 WeakPolarHBondContact CG2-O 3.43Å; I133-N164 PolarHBondContact N-O 3.27Å; I133-K165 WeakPolarHBondContact CD1-O 3.28Å; I133-K165 HydrophobicContact CG1-CB 4.5Å; I133-K165 WeakPolarHBondContact CG1-O 3.28Å; I133-R172 HydrophobicContact CD1-CB 4.37Å; I133-R172 HydrophobicContact CD1-CG 4.31Å; I133-R172 VanDerWaalsContact CD1-CZ 3.48Å; I133-A173 PolarHBondContact O-N 3.37Å; I133-I174 VanDerWaalsContact C-CD1 3.47Å; I133-I174 WeakPolarHBondContact O-CD1 3.24Å; I133-I174 PolarHBondContact O-N 3.35Å
134T98.3Very high95.9Very high34 Ų3429.9 Ų29.921%0.20916%0.156CC..THydrogen-bonded Turntrans-95.4-9.7177.170.80000112.6D132 M168 E171 A173D132-T134 PolarHBondContact O-N 3.32Å; D132-T134 WeakPolarHBondContact OD1-CB 3.34Å; D132-T134 PolarHBondContact OD1-N 2.98Å; D132-T134 PolarHBondContact OD1-OG1 3.31Å; D132-T134 PolarHBondContact OD2-OG1 3Å; D132-T134 VanDerWaalsContact OD2-OG1 3.12Å; T134-M168 HydrophobicContact CG2-CB 3.61Å; T134-M168 HydrophobicContact CG2-CE 4.2Å; T134-M168 HydrophobicContact CG2-CG 4.45Å; T134-M168 HydrophobicContact CG2-SD 4.12Å; T134-E171 WeakPolarHBondContact CA-O 3.48Å; T134-E171 WeakPolarHBondContact CB-O 3.48Å; T134-E171 HydrophobicContact CG2-CB 3.93Å; T134-A173 WeakPolarHBondContact O-CB 3.44Å
135N97.8Very high95.9Very high66 Ų6630.1 Ų30.135%0.35316%0.157SC..  trans-12299.4-174.3-176.5-20.4000111.7D132 S137 S138 F139D132-N135 HydrophobicContact CB-CB 4.03Å; D132-N135 PolarHBondContact O-N 2.92Å; N135-S137 VanDerWaalsContact C-N 3.3Å; N135-S137 PolarHBondContact O-N 3.02Å; N135-S137 WeakPolarHBondContact OD1-CB 3.31Å; N135-S137 PolarHBondContact OD1-N 3.23Å; N135-S138 PolarHBondContact O-N 3.44Å; N135-S138 VanDerWaalsContact O-N 3.11Å; N135-S138 PolarHBondContact O-OG 2.94Å; N135-S138 PolarHBondContact OD1-N 2.83Å; N135-F139 PolarHBondContact O-N 2.96Å
136K97.3Very high95.7Very high119 Ų11926.7 Ų26.752%0.51714%0.141SC..Hα-helixtrans-56.7-38179.9-171.3178.9-179.2-650113.6S138 F139 D140K136-S138 VanDerWaalsContact C-N 3.29Å; K136-S138 PolarHBondContact O-N 2.68Å; K136-F139 WeakPolarHBondContact O-CB 3.33Å; K136-F139 PolarHBondContact O-N 2.77Å; K136-F139 VanDerWaalsContact O-N 3.15Å; K136-D140 IonicContact NZ-OD1 3.76Å; K136-D140 PolarHBondContact NZ-OD1 3.05Å; K136-D140 IonicContact NZ-OD2 3.28Å; K136-D140 PolarHBondContact NZ-OD2 2.78Å; K136-D140 PolarHBondContact O-N 2.78Å
137S96.3Very high95.4Very high66 Ų6630.4 Ų30.446%0.46216%0.164SC..Hα-helixtrans-61.3-40.8178.7-172.90000111.5N135 F139 D140 N141N135-S137 VanDerWaalsContact C-N 3.3Å; N135-S137 PolarHBondContact O-N 3.02Å; N135-S137 WeakPolarHBondContact OD1-CB 3.31Å; N135-S137 PolarHBondContact OD1-N 3.23Å; S137-F139 PolarHBondContact O-N 2.89Å; S137-D140 PolarHBondContact O-N 3.07Å; S137-N141 WeakPolarHBondContact O-CB 3.31Å; S137-N141 VanDerWaalsContact O-CG 3.26Å; S137-N141 PolarHBondContact O-N 3.01Å; S137-N141 PolarHBondContact O-ND2 3.04Å
138S96.4Very high94.9Very high1 Ų132 Ų321%0.00717%0.171CC..Hα-helixtrans-64.1-32.1178.675.20000112.6D58 D132 N135 K136D58-S138 WeakPolarHBondContact OD2-CA 3.47Å; D132-S138 PolarHBondContact N-OG 2.99Å; D132-S138 PolarHBondContact O-OG 2.87Å; N135-S138 PolarHBondContact O-N 3.44Å; N135-S138 VanDerWaalsContact O-N 3.11Å; N135-S138 PolarHBondContact O-OG 2.94Å; N135-S138 PolarHBondContact OD1-N 2.83Å; K136-S138 VanDerWaalsContact C-N 3.29Å; K136-S138 PolarHBondContact O-N 2.68Å
139F98.2Very high94.4Very high10 Ų1032 Ų324%0.04417%0.172CC..Hα-helixtrans-75.3-44.5174.8179.8-107.1000112.3Y131 N135 K136 S137 N141 I142 I174 E178 L182Y131-F139 HydrophobicContact CD1-CD2 4.06Å; Y131-F139 HydrophobicContact CD2-CB 3.92Å; Y131-F139 AromaticContact CD2-CD2 3.83Å; Y131-F139 HydrophobicContact CD2-CD2 3.83Å; Y131-F139 HydrophobicContact CD2-CG 4.33Å; Y131-F139 AromaticContact CE1-CD2 3.93Å; Y131-F139 HydrophobicContact CE1-CD2 3.93Å; Y131-F139 HydrophobicContact CE1-CE2 4.26Å; Y131-F139 HydrophobicContact CE2-CB 4.41Å; Y131-F139 AromaticContact CE2-CD2 3.7Å; Y131-F139 HydrophobicContact CE2-CD2 3.7Å; Y131-F139 HydrophobicContact CE2-CE2 4.44Å; Y131-F139 HydrophobicContact CE2-CG 4.41Å; Y131-F139 HydrophobicContact CG-CB 4.32Å; Y131-F139 HydrophobicContact CG-CD2 4.01Å; Y131-F139 AromaticContact CZ-CD2 3.76Å; N135-F139 PolarHBondContact O-N 2.96Å; K136-F139 WeakPolarHBondContact O-CB 3.33Å; K136-F139 PolarHBondContact O-N 2.77Å; K136-F139 VanDerWaalsContact O-N 3.15Å; S137-F139 PolarHBondContact O-N 2.89Å; F139-N141 PolarHBondContact O-N 3.16Å; F139-I142 VanDerWaalsContact O-CB 3.29Å; F139-I142 WeakPolarHBondContact O-CB 3.47Å; F139-I142 WeakPolarHBondContact O-CG1 3.41Å; F139-I142 PolarHBondContact O-N 2.89Å; F139-I174 HydrophobicContact CB-CD1 4.14Å; F139-I174 HydrophobicContact CB-CG1 3.78Å; F139-I174 HydrophobicContact CD1-CG1 4.23Å; F139-I174 HydrophobicContact CD1-CG2 4.11Å; F139-I174 HydrophobicContact CD2-CG2 4.02Å; F139-I174 HydrophobicContact CE1-CG2 4.22Å; F139-I174 HydrophobicContact CE2-CG2 4.14Å; F139-I174 HydrophobicContact CG-CG1 3.98Å; F139-I174 HydrophobicContact CG-CG2 4Å; F139-I174 HydrophobicContact CZ-CG2 4.23Å; F139-E178 HydrophobicContact CE1-CB 4.38Å; F139-E178 HydrophobicContact CZ-CB 4.1Å; F139-L182 HydrophobicContact CD2-CD2 4.26Å; F139-L182 HydrophobicContact CE2-CB 4.3Å; F139-L182 HydrophobicContact CE2-CD2 3.55Å; F139-L182 HydrophobicContact CZ-CB 4.12Å; F139-L182 HydrophobicContact CZ-CD2 3.78Å
140D96Very high93.9Very high69 Ų6937.5 Ų37.537%0.36920%0.197SC..Hα-helixtrans-59.1-34.9177.9-69.3-25.4000111.2K136 S137 I142K136-D140 IonicContact NZ-OD1 3.76Å; K136-D140 PolarHBondContact NZ-OD1 3.05Å; K136-D140 IonicContact NZ-OD2 3.28Å; K136-D140 PolarHBondContact NZ-OD2 2.78Å; K136-D140 PolarHBondContact O-N 2.78Å; S137-D140 PolarHBondContact O-N 3.07Å; D140-I142 VanDerWaalsContact C-N 3.29Å; D140-I142 PolarHBondContact O-N 3.13Å
141N94.6Very high93.3Very high55 Ų5543.5 Ų43.529%0.29423%0.225SC..THydrogen-bonded Turntrans-72.5-13.9178.4-73.4-22.9000114.5D58 S137 F139 R143 A144 W145D58-N141 PolarHBondContact OD2-ND2 2.99Å; S137-N141 WeakPolarHBondContact O-CB 3.31Å; S137-N141 VanDerWaalsContact O-CG 3.26Å; S137-N141 PolarHBondContact O-N 3.01Å; S137-N141 PolarHBondContact O-ND2 3.04Å; F139-N141 PolarHBondContact O-N 3.16Å; N141-R143 VanDerWaalsContact C-N 3.26Å; N141-R143 PolarHBondContact O-N 3.47Å; N141-A144 WeakPolarHBondContact O-CB 3.42Å; N141-A144 PolarHBondContact O-N 3.02Å; N141-A144 VanDerWaalsContact O-N 3.11Å; N141-W145 VanDerWaalsContact O-CD1 3.22Å; N141-W145 PolarHBondContact O-N 3Å; N141-W145 VanDerWaalsContact O-N 3.1Å
142I94.9Very high92.6Very high0 Ų048.1 Ų48.10%024%0.243CC..Hα-helixtrans-58.9-36.7-179.7-68.5-53.5000112.1L129 Y131 F139 D140 A144 W145 L146 L161 L182L129-I142 HydrophobicContact CD1-CD1 3.84Å; L129-I142 HydrophobicContact CD2-CD1 4.14Å; L129-I142 HydrophobicContact CD2-CG2 3.93Å; L129-I142 HydrophobicContact CG-CD1 3.79Å; Y131-I142 HydrophobicContact CD1-CD1 4.45Å; Y131-I142 HydrophobicContact CD1-CG1 4.18Å; Y131-I142 HydrophobicContact CG-CG1 4.38Å; F139-I142 VanDerWaalsContact O-CB 3.29Å; F139-I142 WeakPolarHBondContact O-CB 3.47Å; F139-I142 WeakPolarHBondContact O-CG1 3.41Å; F139-I142 PolarHBondContact O-N 2.89Å; D140-I142 VanDerWaalsContact C-N 3.29Å; D140-I142 PolarHBondContact O-N 3.13Å; I142-A144 VanDerWaalsContact C-N 3.31Å; I142-A144 PolarHBondContact O-N 3.15Å; I142-W145 PolarHBondContact O-N 3.45Å; I142-L146 HydrophobicContact CG2-CD1 3.7Å; I142-L146 HydrophobicContact CG2-CG 4.2Å; I142-L146 WeakPolarHBondContact O-CG 3.1Å; I142-L146 PolarHBondContact O-N 2.84Å; I142-L161 HydrophobicContact CD1-CD1 4.12Å; I142-L161 HydrophobicContact CG1-CD1 4.19Å; I142-L161 HydrophobicContact CG2-CD1 3.72Å; I142-L182 HydrophobicContact CB-CD2 3.89Å; I142-L182 HydrophobicContact CG2-CD2 3.52Å; I142-L182 HydrophobicContact CG2-CG 4.46Å
143R93.6Very high91.8Very high89 Ų8948.7 Ų48.734%0.33625%0.249SC..Hα-helixtrans-62.2-40177.6-68.6-168174.383.33.1112.4N141 L146 T147 L182 E185 Y186N141-R143 VanDerWaalsContact C-N 3.26Å; N141-R143 PolarHBondContact O-N 3.47Å; R143-L146 PolarHBondContact O-N 3.43Å; R143-T147 WeakPolarHBondContact O-CB 3.29Å; R143-T147 PolarHBondContact O-N 3.27Å; R143-T147 PolarHBondContact O-OG1 3.11Å; R143-L182 HydrophobicContact CG-CD1 3.98Å; R143-E185 IonicContact NE-OE1 3.02Å; R143-E185 IonicContact NH2-OE2 3.99Å; R143-E185 PolarHBondContact NH2-OE2 3.19Å; R143-Y186 HydrophobicContact CG-CE2 4.12Å; R143-Y186 WeakPolarHBondContact CG-OH 3.45Å
144A90.6Very high90.9Very high38 Ų3852.3 Ų52.331%0.31427%0.266SS..Hα-helixtrans-66.3-44.4176.300000110.7N141 I142 L146 T147 E148N141-A144 WeakPolarHBondContact O-CB 3.42Å; N141-A144 PolarHBondContact O-N 3.02Å; N141-A144 VanDerWaalsContact O-N 3.11Å; I142-A144 VanDerWaalsContact C-N 3.31Å; I142-A144 PolarHBondContact O-N 3.15Å; A144-L146 PolarHBondContact O-N 3.31Å; A144-T147 PolarHBondContact O-N 2.76Å; A144-E148 WeakPolarHBondContact O-CG 3.46Å; A144-E148 PolarHBondContact O-N 2.76Å
145W90.5Very high90Very high6 Ų658.2 Ų58.22%0.02330%0.302CS..Hα-helixtrans-58.6-45.8174.8-75.4113.4000112.6D58 R114 Y121 L129 N141 I142 T147 E148 I149D58-W145 PolarHBondContact OD1-NE1 2.9Å; R114-W145 HydrophobicContact CG-CH2 3.99Å; R114-W145 HydrophobicContact CG-CZ3 4.29Å; Y121-W145 WeakPolarHBondContact OH-CZ3 3.2Å; L129-W145 HydrophobicContact CD1-CB 3.69Å; L129-W145 HydrophobicContact CD1-CG 3.9Å; L129-W145 HydrophobicContact CD2-CB 4.07Å; N141-W145 VanDerWaalsContact O-CD1 3.22Å; N141-W145 PolarHBondContact O-N 3Å; N141-W145 VanDerWaalsContact O-N 3.1Å; I142-W145 PolarHBondContact O-N 3.45Å; W145-T147 VanDerWaalsContact C-N 3.33Å; W145-T147 PolarHBondContact O-N 3Å; W145-E148 PolarHBondContact O-N 3.49Å; W145-I149 WeakPolarHBondContact O-CB 3.32Å; W145-I149 WeakPolarHBondContact O-CD1 3.44Å; W145-I149 WeakPolarHBondContact O-CG1 3.27Å; W145-I149 PolarHBondContact O-N 2.96Å
146L90.2Very high89.4Confident0 Ų060 Ų600%031%0.312CS..Hα-helixtrans-63.8-39.8177.9-73.4167.2000111.9L129 I142 R143 A144 I149 H150 I159 Y186L129-L146 HydrophobicContact CD2-CD1 4.46Å; L129-L146 HydrophobicContact CD2-CD2 3.71Å; L129-L146 HydrophobicContact CD2-CG 3.69Å; I142-L146 HydrophobicContact CG2-CD1 3.7Å; I142-L146 HydrophobicContact CG2-CG 4.2Å; I142-L146 WeakPolarHBondContact O-CG 3.1Å; I142-L146 PolarHBondContact O-N 2.84Å; R143-L146 PolarHBondContact O-N 3.43Å; A144-L146 PolarHBondContact O-N 3.31Å; L146-I149 PolarHBondContact O-N 3.06Å; L146-H150 WeakPolarHBondContact O-CB 3.36Å; L146-H150 PolarHBondContact O-CD2 3.25Å; L146-H150 PolarHBondContact O-N 3.25Å; L146-I159 HydrophobicContact CD2-CG2 4.11Å; L146-Y186 HydrophobicContact CB-CD1 3.95Å; L146-Y186 HydrophobicContact CB-CE1 3.9Å; L146-Y186 HydrophobicContact CD1-CD1 3.75Å; L146-Y186 HydrophobicContact CD1-CD2 3.65Å; L146-Y186 HydrophobicContact CD1-CE1 4.09Å; L146-Y186 HydrophobicContact CD1-CE2 4.01Å; L146-Y186 HydrophobicContact CD1-CG 3.51Å; L146-Y186 HydrophobicContact CG-CD1 4.36Å
147T88.3Confident89.1Confident78 Ų7855.1 Ų55.148%0.47929%0.292SS..Hα-helixtrans-61-47.8175.6-55.20000110.9R143 A144 W145 I149 H150 E151R143-T147 WeakPolarHBondContact O-CB 3.29Å; R143-T147 PolarHBondContact O-N 3.27Å; R143-T147 PolarHBondContact O-OG1 3.11Å; A144-T147 PolarHBondContact O-N 2.76Å; W145-T147 VanDerWaalsContact C-N 3.33Å; W145-T147 PolarHBondContact O-N 3Å; T147-I149 PolarHBondContact O-N 3.26Å; T147-H150 PolarHBondContact O-N 3.47Å; T147-E151 PolarHBondContact O-N 3.42Å
148E85.1Confident89Confident32 Ų3252.2 Ų52.215%0.1527%0.272CS..Hα-helixtrans-62.2-43.6176.7-72.2175.7-171.100111.9R114 A144 W145 H150 E151 Y152R114-E148 WeakPolarHBondContact CD-OE1 3.11Å; R114-E148 IonicContact CZ-OE1 2.7Å; R114-E148 IonicContact CZ-OE2 3.95Å; R114-E148 IonicContact NE-OE1 3.84Å; R114-E148 IonicContact NE-OE2 3.36Å; R114-E148 IonicContact NH1-OE1 3.62Å; R114-E148 PolarHBondContact NH1-OE1 3.07Å; R114-E148 IonicContact NH1-OE2 3.69Å; A144-E148 WeakPolarHBondContact O-CG 3.46Å; A144-E148 PolarHBondContact O-N 2.76Å; W145-E148 PolarHBondContact O-N 3.49Å; E148-H150 VanDerWaalsContact C-N 3.33Å; E148-H150 PolarHBondContact O-N 2.88Å; E148-E151 PolarHBondContact O-N 3.5Å; E148-E151 VanDerWaalsContact O-N 3.15Å; E148-Y152 VanDerWaalsContact O-CD2 3.27Å; E148-Y152 WeakPolarHBondContact O-CD2 3.38Å; E148-Y152 PolarHBondContact O-N 3.32Å
149I86.4Confident88.9Confident1 Ų153 Ų531%0.00528%0.276CS..Hα-helixtrans-59.7-45.8177.2-71.1163.4000110.6V56 L127 L129 W145 L146 T147 E151 Y152 A153 I159V56-I149 HydrophobicContact CG2-CD1 4.19Å; L127-I149 HydrophobicContact CD1-CB 4.36Å; L127-I149 HydrophobicContact CD1-CD1 4.25Å; L127-I149 HydrophobicContact CD1-CG1 4.05Å; L127-I149 HydrophobicContact CD1-CG2 3.42Å; L127-I149 VanDerWaalsContact CD1-CG2 3.42Å; L129-I149 HydrophobicContact CD2-CD1 4.29Å; W145-I149 WeakPolarHBondContact O-CB 3.32Å; W145-I149 WeakPolarHBondContact O-CD1 3.44Å; W145-I149 WeakPolarHBondContact O-CG1 3.27Å; W145-I149 PolarHBondContact O-N 2.96Å; L146-I149 PolarHBondContact O-N 3.06Å; T147-I149 PolarHBondContact O-N 3.26Å; I149-E151 PolarHBondContact O-N 3.38Å; I149-Y152 PolarHBondContact O-N 2.9Å; I149-A153 HydrophobicContact CG2-CB 4.04Å; I149-A153 WeakPolarHBondContact O-CB 3.48Å; I149-A153 PolarHBondContact O-N 3.01Å; I149-I159 HydrophobicContact CG2-CD1 3.47Å; I149-I159 VanDerWaalsContact CG2-CD1 3.47Å; I149-I159 HydrophobicContact CG2-CG1 4.13Å
150H84.6Confident88.9Confident116 Ų11652.6 Ų52.654%0.53727%0.274SS..Hα-helixtrans-65.9-25.7178-74-52.7000113.4L146 T147 E148L146-H150 WeakPolarHBondContact O-CB 3.36Å; L146-H150 PolarHBondContact O-CD2 3.25Å; L146-H150 PolarHBondContact O-N 3.25Å; T147-H150 PolarHBondContact O-N 3.47Å; E148-H150 VanDerWaalsContact C-N 3.33Å; E148-H150 PolarHBondContact O-N 2.88Å
151E85.2Confident89Confident125 Ų12549.3 Ų49.358%0.58426%0.256SS*.Hα-helixtrans-80.4-37.3177.9-170.1179.5160.400112.7T147 E148 I149T147-E151 PolarHBondContact O-N 3.42Å; E148-E151 PolarHBondContact O-N 3.5Å; E148-E151 VanDerWaalsContact O-N 3.15Å; I149-E151 PolarHBondContact O-N 3.38Å
152Y82.8Confident89.2Confident97 Ų9746.7 Ų46.738%0.3824%0.242SC..Hα-helixtrans-116.2-17-167.3-65.3-72.8000115.8H118 E148 I149H118-Y152 HydrophobicContact CB-CG 4.44Å; H118-Y152 AromaticContact CE1-CD2 3.57Å; H118-Y152 AromaticContact CE1-CE2 3.24Å; H118-Y152 WeakPolarHBondContact CE1-CE2 3.38Å; H118-Y152 AromaticContact CE1-CZ 3.62Å; H118-Y152 AromaticContact ND1-CD1 3.95Å; H118-Y152 AromaticContact ND1-CD2 3.71Å; H118-Y152 AromaticContact ND1-CE1 3.78Å; H118-Y152 AromaticContact ND1-CE2 3.6Å; H118-Y152 AromaticContact ND1-CG 3.93Å; H118-Y152 AromaticContact ND1-CZ 3.64Å; H118-Y152 AromaticContact NE2-CD2 3.8Å; H118-Y152 AromaticContact NE2-CE2 3.84Å; E148-Y152 VanDerWaalsContact O-CD2 3.27Å; E148-Y152 WeakPolarHBondContact O-CD2 3.38Å; E148-Y152 PolarHBondContact O-N 3.32Å; I149-Y152 PolarHBondContact O-N 2.9Å
153A81.9Confident89.4Confident20 Ų2046.7 Ų46.717%0.16524%0.242CC..SBendtrans-85.7168.7178.700000112.4L127 I149 V157L127-A153 HydrophobicContact CD1-CB 4.23Å; I149-A153 HydrophobicContact CG2-CB 4.04Å; I149-A153 WeakPolarHBondContact O-CB 3.48Å; I149-A153 PolarHBondContact O-N 3.01Å; A153-V157 HydrophobicContact CB-CB 4.42Å; A153-V157 HydrophobicContact CB-CG1 3.83Å
154Q79.6Confident89.6Confident76 Ų7642.6 Ų42.636%0.35523%0.227SC..  trans-67.4147.4172.1-58.8-171.8-20.300110.8R122 D156 V157R122-Q154 WeakPolarHBondContact O-CG 3.49Å; R122-Q154 PolarHBondContact O-NE2 3.15Å; Q154-D156 WeakPolarHBondContact CB-OD1 3.48Å; Q154-D156 PolarHBondContact O-N 3.34Å; Q154-D156 VanDerWaalsContact O-N 3.11Å; Q154-V157 WeakPolarHBondContact O-CB 3.43Å; Q154-V157 VanDerWaalsContact O-CG1 3.27Å; Q154-V157 WeakPolarHBondContact O-CG1 3.29Å; Q154-V157 PolarHBondContact O-N 2.9Å; Q154-V157 VanDerWaalsContact O-N 3.15Å
155T78.7Confident90Very high159 Ų15943.3 Ų43.398%0.97522%0.223SC*.THydrogen-bonded Turntrans-59.1-27.1-176.8-43.70000113.3
156D85.4Confident90.3Very high102 Ų10244.2 Ų44.255%0.54523%0.231SC..THydrogen-bonded Turntrans-103.814.8-176.567.2-35.7000113.7Q154 V158 R215Q154-D156 WeakPolarHBondContact CB-OD1 3.48Å; Q154-D156 PolarHBondContact O-N 3.34Å; Q154-D156 VanDerWaalsContact O-N 3.11Å; D156-V158 PolarHBondContact O-N 3.33Å; D156-R215 PolarHBondContact O-NH1 3.12Å
157V91.6Very high90.7Very high18 Ų1846.5 Ų46.511%0.10924%0.244CC..  trans-62.8136174.270.90000111.1A124 L127 A153 Q154 I159A124-V157 HydrophobicContact CB-CG2 4.3Å; A124-V157 WeakPolarHBondContact O-CG2 3.4Å; L127-V157 HydrophobicContact CD1-CG1 4.14Å; L127-V157 HydrophobicContact CD1-CG2 3.67Å; L127-V157 HydrophobicContact CG-CG2 3.98Å; A153-V157 HydrophobicContact CB-CB 4.42Å; A153-V157 HydrophobicContact CB-CG1 3.83Å; Q154-V157 WeakPolarHBondContact O-CB 3.43Å; Q154-V157 VanDerWaalsContact O-CG1 3.27Å; Q154-V157 WeakPolarHBondContact O-CG1 3.29Å; Q154-V157 PolarHBondContact O-N 2.9Å; Q154-V157 VanDerWaalsContact O-N 3.15Å; V157-I159 HydrophobicContact CG1-CD1 4.09Å; V157-I159 HydrophobicContact CG1-CG1 3.88Å
158V94.5Very high91.1Very high5 Ų545.1 Ų45.13%0.0323%0.232CC..EExtended strand (participates in β ladder)trans-79.3121.6172.1178.80000108.8H125 A126 L127 D156 V208 E211 L212 R215 I227H125-V158 PolarHBondContact O-N 3.43Å; A126-V158 CarbonylContact C-O 3.59Å; A126-V158 WeakPolarHBondContact CA-O 3.32Å; A126-V158 HydrophobicContact CB-CB 4.05Å; L127-V158 PolarHBondContact N-O 2.86Å; D156-V158 PolarHBondContact O-N 3.33Å; V158-V208 HydrophobicContact CG1-CG2 4.45Å; V158-E211 HydrophobicContact CB-CG 4.47Å; V158-E211 HydrophobicContact CG1-CG 3.99Å; V158-E211 HydrophobicContact CG2-CB 4.48Å; V158-E211 HydrophobicContact CG2-CG 3.56Å; V158-L212 HydrophobicContact CG2-CD2 3.85Å; V158-L212 HydrophobicContact CG2-CG 4.37Å; V158-R215 VanDerWaalsContact CG2-CZ 3.49Å; V158-I227 HydrophobicContact CG1-CD1 4.46Å
159I95Very high91.5Very high18 Ų1847.7 Ų47.79%0.09225%0.254CS..EExtended strand (participates in β ladder)trans-114.3134177.7-52.3168.5000108.6L127 L146 I149 V157 V188 P189L127-I159 HydrophobicContact CB-CG1 4.48Å; L127-I159 HydrophobicContact CD1-CG1 4.41Å; L127-I159 WeakPolarHBondContact O-CA 3.2Å; L146-I159 HydrophobicContact CD2-CG2 4.11Å; I149-I159 HydrophobicContact CG2-CD1 3.47Å; I149-I159 VanDerWaalsContact CG2-CD1 3.47Å; I149-I159 HydrophobicContact CG2-CG1 4.13Å; V157-I159 HydrophobicContact CG1-CD1 4.09Å; V157-I159 HydrophobicContact CG1-CG1 3.88Å; I159-V188 HydrophobicContact CB-CG1 3.93Å; I159-V188 HydrophobicContact CG2-CG1 4.01Å; I159-P189 WeakPolarHBondContact O-CD 3.45Å; I159-P189 WeakPolarHBondContact O-CG 3.24Å
160M97.6Very high91.9Very high0 Ų052.9 Ų52.90%029%0.29CS..EExtended strand (participates in β ladder)trans-131.7130.8172.6179.1-173.3-7600110.5L127 L128 L129 L162 P189 M191 A204 A207 V208 I227 I231L127-M160 PolarHBondContact O-N 2.94Å; L128-M160 HydrophobicContact CD2-CB 3.78Å; L128-M160 HydrophobicContact CD2-CG 4.27Å; L128-M160 HydrophobicContact CD2-SD 3.88Å; L129-M160 PolarHBondContact N-O 2.85Å; M160-L162 HydrophobicContact CG-CD2 3.89Å; M160-L162 HydrophobicContact SD-CD2 3.72Å; M160-P189 HydrophobicContact CB-CG 4.06Å; M160-P189 HydrophobicContact CE-CG 4.41Å; M160-P189 HydrophobicContact CG-CB 4.43Å; M160-P189 HydrophobicContact CG-CG 4.15Å; M160-M191 HydrophobicContact CE-SD 4.33Å; M160-M191 HydrophobicContact SD-CG 4.4Å; M160-M191 HydrophobicContact SD-SD 3.6Å; M160-M191 VanDerWaalsContact SD-SD 3.6Å; M160-A204 HydrophobicContact SD-CB 4.09Å; M160-A207 HydrophobicContact CE-CB 3.83Å; M160-V208 HydrophobicContact CB-CG2 4.46Å; M160-V208 HydrophobicContact CE-CG2 3.77Å; M160-V208 HydrophobicContact SD-CG2 4.25Å; M160-I227 HydrophobicContact CE-CD1 3.55Å; M160-I227 HydrophobicContact CE-CG1 4.2Å; M160-I231 HydrophobicContact CE-CD1 3.88Å
161L98.4Very high92.5Very high1 Ų153 Ų531%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-89.6129.4176.9-177.364.5000110.6L129 Y131 I142 L182 A183 V188 P189 F190 M191L129-L161 HydrophobicContact CD2-CD1 4.29Å; L129-L161 HydrophobicContact CG-CD1 4.14Å; L129-L161 CarbonylContact O-C 3.53Å; L129-L161 WeakPolarHBondContact O-CA 3.45Å; Y131-L161 HydrophobicContact CD1-CD1 4.01Å; Y131-L161 HydrophobicContact CD1-CG 4.48Å; Y131-L161 HydrophobicContact CE1-CD1 4.26Å; Y131-L161 HydrophobicContact CE1-CD2 4.45Å; Y131-L161 HydrophobicContact CE1-CG 4.25Å; I142-L161 HydrophobicContact CD1-CD1 4.12Å; I142-L161 HydrophobicContact CG1-CD1 4.19Å; I142-L161 HydrophobicContact CG2-CD1 3.72Å; L161-L182 HydrophobicContact CD2-CD2 4.28Å; L161-L182 HydrophobicContact CD2-CG 4.49Å; L161-A183 HydrophobicContact CD2-CB 4.19Å; L161-V188 HydrophobicContact CB-CG2 4.07Å; L161-P189 PolarHBondContact N-O 3.38Å; L161-F190 HydrophobicContact CB-CD2 4.15Å; L161-F190 HydrophobicContact CD2-CD2 3.93Å; L161-F190 HydrophobicContact CG-CD2 3.85Å; L161-F190 HydrophobicContact CG-CE2 4.47Å; L161-F190 WeakPolarHBondContact O-CA 3.34Å; L161-F190 WeakPolarHBondContact O-CD2 3.07Å; L161-M191 PolarHBondContact O-N 3.39Å
162L98.7Very high93.1Very high0 Ų050.8 Ų50.80%028%0.277CS..EExtended strand (participates in β ladder)trans-122.2121.8-178.2-58.8-175000111.1L66 L128 L129 L130 Y131 M160 M191 T193 A204L66-L162 HydrophobicContact CD2-CD1 3.71Å; L128-L162 HydrophobicContact CB-CD1 4.07Å; L128-L162 HydrophobicContact CD1-CD1 4.29Å; L128-L162 HydrophobicContact CD2-CD1 4.28Å; L128-L162 HydrophobicContact CG-CD1 4.45Å; L129-L162 PolarHBondContact O-N 3.07Å; L130-L162 WeakPolarHBondContact CA-O 3.32Å; L130-L162 HydrophobicContact CD1-CD1 3.98Å; L130-L162 HydrophobicContact CG-CB 4.03Å; L130-L162 HydrophobicContact CG-CD1 4.12Å; Y131-L162 WeakPolarHBondContact CD1-O 3.09Å; Y131-L162 PolarHBondContact N-O 3.1Å; M160-L162 HydrophobicContact CG-CD2 3.89Å; M160-L162 HydrophobicContact SD-CD2 3.72Å; L162-M191 WeakPolarHBondContact CA-O 3.37Å; L162-M191 HydrophobicContact CD2-CG 3.24Å; L162-M191 HydrophobicContact CD2-SD 3.84Å; L162-T193 HydrophobicContact CD2-CG2 4.06Å; L162-A204 HydrophobicContact CD1-CB 4.46Å; L162-A204 HydrophobicContact CD2-CB 4.15Å
163G98.6Very high93.9Very high0 Ų048.8 Ų48.80%028%0.281CS..EExtended strand (participates in β ladder)trans-91.696.6166.700000110.6M191 E192 T193G163-M191 PolarHBondContact N-O 3.11Å; G163-E192 CarbonylContact O-C 3.59Å; G163-E192 WeakPolarHBondContact O-CA 3.42Å; G163-T193 PolarHBondContact O-N 3.03Å
164N98.6Very high94.7Very high2 Ų247.9 Ų47.91%0.01127%0.274CS..EExtended strand (participates in β ladder)trans-85.5166.7-174.8-167.226.7000112.4V61 L130 Y131 I133 T193 A195V61-N164 PolarHBondContact O-ND2 3.44Å; L130-N164 HydrophobicContact CD2-CB 4.47Å; Y131-N164 PolarHBondContact O-N 3.07Å; I133-N164 WeakPolarHBondContact CG1-O 3.36Å; I133-N164 WeakPolarHBondContact CG2-O 3.43Å; I133-N164 PolarHBondContact N-O 3.27Å; N164-T193 CarbonylContact C-O 3.54Å; N164-T193 VanDerWaalsContact CA-O 3.32Å; N164-T193 WeakPolarHBondContact CA-O 3.27Å; N164-T193 PolarHBondContact OD1-O 3.47Å; N164-T193 PolarHBondContact OD1-OG1 3.49Å; N164-A195 PolarHBondContact OD1-N 2.85Å
165K97.9Very high95.5Very high53 Ų5351.5 Ų51.523%0.2328%0.284CS..  trans6833.2-176.2-45-167.9-166.4168.90113.7G60 D132 I133 D167 M168 T193G60-K165 WeakPolarHBondContact O-CE 3.44Å; G60-K165 PolarHBondContact O-NZ 3.47Å; D132-K165 HydrophobicContact CB-CD 4.47Å; D132-K165 WeakPolarHBondContact OD1-CD 3.39Å; D132-K165 WeakPolarHBondContact OD2-CD 3.47Å; D132-K165 WeakPolarHBondContact OD2-CE 3.28Å; D132-K165 IonicContact OD2-NZ 3.35Å; D132-K165 PolarHBondContact OD2-NZ 2.96Å; I133-K165 WeakPolarHBondContact CD1-O 3.28Å; I133-K165 HydrophobicContact CG1-CB 4.5Å; I133-K165 WeakPolarHBondContact CG1-O 3.28Å; K165-D167 PolarHBondContact O-N 3.31Å; K165-M168 HydrophobicContact CB-CG 4.32Å; K165-M168 HydrophobicContact CB-SD 4.1Å; K165-M168 HydrophobicContact CD-SD 3.93Å; K165-M168 WeakPolarHBondContact O-CB 3.42Å; K165-M168 PolarHBondContact O-N 2.9Å; K165-T193 PolarHBondContact N-O 3.29Å
166A98Very high96.4Very high25 Ų2547.9 Ų47.921%0.20725%0.252CS..THydrogen-bonded Turntrans-56.4-19178.500000114.6M168 E192 T193A166-M168 VanDerWaalsContact C-N 3.28Å; A166-M168 PolarHBondContact O-N 2.9Å; A166-E192 HydrophobicContact CB-CB 4.11Å; A166-T193 VanDerWaalsContact CB-O 3.29Å; A166-T193 WeakPolarHBondContact CB-O 3.13Å; A166-T193 PolarHBondContact N-O 2.86Å
167D97.3Very high97Very high49 Ų4946.1 Ų46.126%0.26224%0.243SC..THydrogen-bonded Turntrans-67.6-23.317358-77.1000113.8K165 S169 S194 K196 T197K165-D167 PolarHBondContact O-N 3.31Å; D167-S169 PolarHBondContact O-N 2.91Å; D167-S194 WeakPolarHBondContact OD1-CB 3.3Å; D167-S194 PolarHBondContact OD1-OG 2.88Å; D167-K196 WeakPolarHBondContact OD2-CD 3.48Å; D167-K196 IonicContact OD2-NZ 2.66Å; D167-T197 HydrophobicContact CB-CG2 3.79Å
168M96.3Very high97.3Very high48 Ų4848.1 Ų48.124%0.23625%0.251CS..  trans-8649.8-178-60.2-176.168.100112.3T134 K165 A166 S170 E171 R172T134-M168 HydrophobicContact CG2-CB 3.61Å; T134-M168 HydrophobicContact CG2-CE 4.2Å; T134-M168 HydrophobicContact CG2-CG 4.45Å; T134-M168 HydrophobicContact CG2-SD 4.12Å; K165-M168 HydrophobicContact CB-CG 4.32Å; K165-M168 HydrophobicContact CB-SD 4.1Å; K165-M168 HydrophobicContact CD-SD 3.93Å; K165-M168 WeakPolarHBondContact O-CB 3.42Å; K165-M168 PolarHBondContact O-N 2.9Å; A166-M168 VanDerWaalsContact C-N 3.28Å; A166-M168 PolarHBondContact O-N 2.9Å; M168-S170 VanDerWaalsContact C-N 3.28Å; M168-S170 PolarHBondContact O-N 3.38Å; M168-E171 HydrophobicContact CB-CB 4.48Å; M168-E171 HydrophobicContact CE-CB 4.34Å; M168-E171 HydrophobicContact CE-CG 4.43Å; M168-E171 VanDerWaalsContact CE-OE1 3.25Å; M168-E171 WeakPolarHBondContact CE-OE1 3.46Å; M168-E171 VanDerWaalsContact CE-OE2 3.25Å; M168-E171 WeakPolarHBondContact CE-OE2 3.18Å; M168-E171 PolarHBondContact O-N 2.84Å; M168-R172 PolarHBondContact O-N 3.07Å
169S93.8Very high97.4Very high87 Ų8747.9 Ų47.961%0.60825%0.25SC*.G310 helixtrans-58.6-33.3-174.2600000114.5D167 E171 R172D167-S169 PolarHBondContact O-N 2.91Å; S169-E171 VanDerWaalsContact C-N 3.32Å; S169-E171 PolarHBondContact O-N 2.95Å; S169-R172 WeakPolarHBondContact O-CB 3.43Å; S169-R172 PolarHBondContact O-N 2.57Å
170S96.3Very high97.5Very high109 Ų10949.7 Ų49.776%0.76226%0.258SS*.G310 helixtrans-71.7-23.2177.7520000114.1M168M168-S170 VanDerWaalsContact C-N 3.28Å; M168-S170 PolarHBondContact O-N 3.38Å
171E97Very high97.6Very high120 Ų12056.5 Ų56.556%0.56128%0.283SS*.G310 helixtrans-105.18.7-179.1-65.2174.8-116.600111.6T134 M168 S169 A173T134-E171 WeakPolarHBondContact CA-O 3.48Å; T134-E171 WeakPolarHBondContact CB-O 3.48Å; T134-E171 HydrophobicContact CG2-CB 3.93Å; M168-E171 HydrophobicContact CB-CB 4.48Å; M168-E171 HydrophobicContact CE-CB 4.34Å; M168-E171 HydrophobicContact CE-CG 4.43Å; M168-E171 VanDerWaalsContact CE-OE1 3.25Å; M168-E171 WeakPolarHBondContact CE-OE1 3.46Å; M168-E171 VanDerWaalsContact CE-OE2 3.25Å; M168-E171 WeakPolarHBondContact CE-OE2 3.18Å; M168-E171 PolarHBondContact O-N 2.84Å; S169-E171 VanDerWaalsContact C-N 3.32Å; S169-E171 PolarHBondContact O-N 2.95Å; E171-A173 PolarHBondContact O-N 3.27Å
172R98.1Very high97.5Very high77 Ų7756.5 Ų56.529%0.29128%0.283SS..  trans-59.8120.3-178178.2179.6-75.8-87.510.2110.7I133 M168 S169 I174 E192I133-R172 HydrophobicContact CD1-CB 4.37Å; I133-R172 HydrophobicContact CD1-CG 4.31Å; I133-R172 VanDerWaalsContact CD1-CZ 3.48Å; M168-R172 PolarHBondContact O-N 3.07Å; S169-R172 WeakPolarHBondContact O-CB 3.43Å; S169-R172 PolarHBondContact O-N 2.57Å; R172-I174 WeakPolarHBondContact CD-O 3.49Å; R172-I174 WeakPolarHBondContact CG-O 3.49Å; R172-I174 PolarHBondContact NH1-O 2.84Å; R172-E192 IonicContact CZ-OE1 3.43Å; R172-E192 VanDerWaalsContact CZ-OE1 3.32Å; R172-E192 IonicContact CZ-OE2 2.71Å; R172-E192 IonicContact NH1-OE1 3.98Å; R172-E192 PolarHBondContact NH1-OE1 2.72Å; R172-E192 IonicContact NH2-OE1 2.69Å; R172-E192 PolarHBondContact NH2-OE1 3.1Å; R172-E192 IonicContact NH2-OE2 3.88Å; R172-E192 PolarHBondContact NH2-OE2 2.77Å
173A98.1Very high97.3Very high55 Ų5556.7 Ų56.746%0.45529%0.285SS..  trans-104.5-19.717500000112.8I133 T134 E171I133-A173 PolarHBondContact O-N 3.37Å; T134-A173 WeakPolarHBondContact O-CB 3.44Å; E171-A173 PolarHBondContact O-N 3.27Å
174I98.4Very high97.2Very high2 Ų264.3 Ų64.31%0.0131%0.314CS..SBendtrans-117.7124.7178-55.792000109.1Y131 D132 I133 F139 R172 E178Y131-I174 HydrophobicContact CE2-CB 4.26Å; Y131-I174 HydrophobicContact CE2-CG2 4.12Å; D132-I174 WeakPolarHBondContact O-CD1 3.41Å; I133-I174 VanDerWaalsContact C-CD1 3.47Å; I133-I174 WeakPolarHBondContact O-CD1 3.24Å; I133-I174 PolarHBondContact O-N 3.35Å; F139-I174 HydrophobicContact CB-CD1 4.14Å; F139-I174 HydrophobicContact CB-CG1 3.78Å; F139-I174 HydrophobicContact CD1-CG1 4.23Å; F139-I174 HydrophobicContact CD1-CG2 4.11Å; F139-I174 HydrophobicContact CD2-CG2 4.02Å; F139-I174 HydrophobicContact CE1-CG2 4.22Å; F139-I174 HydrophobicContact CE2-CG2 4.14Å; F139-I174 HydrophobicContact CG-CG1 3.98Å; F139-I174 HydrophobicContact CG-CG2 4Å; F139-I174 HydrophobicContact CZ-CG2 4.23Å; R172-I174 WeakPolarHBondContact CD-O 3.49Å; R172-I174 WeakPolarHBondContact CG-O 3.49Å; R172-I174 PolarHBondContact NH1-O 2.84Å; I174-E178 HydrophobicContact CG2-CB 4.02Å
175R97.8Very high97Very high152 Ų15269.3 Ų69.357%0.57434%0.337SS*.  trans-74.8150175.9-61172.444.9176.4-3.9110.6D177 E178 G179R175-D177 VanDerWaalsContact C-N 3.26Å; R175-D177 WeakPolarHBondContact CB-OD1 3.43Å; R175-D177 IonicContact CZ-OD1 3.05Å; R175-D177 VanDerWaalsContact CZ-OD1 3.29Å; R175-D177 IonicContact CZ-OD2 2.85Å; R175-D177 IonicContact NE-OD1 3.04Å; R175-D177 PolarHBondContact NE-OD1 3.33Å; R175-D177 IonicContact NE-OD2 3.32Å; R175-D177 IonicContact NH2-OD1 3.01Å; R175-D177 PolarHBondContact NH2-OD1 3.39Å; R175-D177 IonicContact NH2-OD2 2.68Å; R175-D177 PolarHBondContact NH2-OD2 3.42Å; R175-D177 PolarHBondContact O-N 2.84Å; R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 PolarHBondContact N-OE2 3.34Å; R175-E178 WeakPolarHBondContact O-CB 3.49Å; R175-E178 PolarHBondContact O-N 3.43Å; R175-G179 PolarHBondContact O-N 3.23Å
176R96.8Very high96.7Very high82 Ų8269.4 Ų69.431%0.30934%0.337SS..Hα-helixtrans-57.1-40179.7-174.7-179-179.8115.4-14.3112.9E178 G179 E180 F190 E192R176-E178 PolarHBondContact O-N 2.83Å; R176-G179 PolarHBondContact O-N 2.97Å; R176-G179 VanDerWaalsContact O-N 3.17Å; R176-E180 HydrophobicContact CG-CG 4.5Å; R176-E180 IonicContact NE-OE1 3.29Å; R176-E180 PolarHBondContact NE-OE1 2.92Å; R176-E180 WeakPolarHBondContact O-CG 3.41Å; R176-E180 PolarHBondContact O-N 3.5Å; R176-F190 HydrophobicContact CG-CE1 4.2Å; R176-E192 HydrophobicContact CG-CG 4.29Å; R176-E192 IonicContact CZ-OE2 2.79Å; R176-E192 IonicContact NH1-OE2 3.18Å; R176-E192 PolarHBondContact NH1-OE2 2.7Å
177D97.7Very high96.4Very high66 Ų6673 Ų7335%0.35336%0.36SS..Hα-helixtrans-66.1-24.5179.658.6-56.3000113.3R175 R181R175-D177 VanDerWaalsContact C-N 3.26Å; R175-D177 WeakPolarHBondContact CB-OD1 3.43Å; R175-D177 IonicContact CZ-OD1 3.05Å; R175-D177 VanDerWaalsContact CZ-OD1 3.29Å; R175-D177 IonicContact CZ-OD2 2.85Å; R175-D177 IonicContact NE-OD1 3.04Å; R175-D177 PolarHBondContact NE-OD1 3.33Å; R175-D177 IonicContact NE-OD2 3.32Å; R175-D177 IonicContact NH2-OD1 3.01Å; R175-D177 PolarHBondContact NH2-OD1 3.39Å; R175-D177 IonicContact NH2-OD2 2.68Å; R175-D177 PolarHBondContact NH2-OD2 3.42Å; R175-D177 PolarHBondContact O-N 2.84Å; D177-R181 VanDerWaalsContact O-CB 3.26Å; D177-R181 WeakPolarHBondContact O-CB 3.45Å; D177-R181 PolarHBondContact O-N 2.94Å
178E98.1Very high96.3Very high60 Ų6071.1 Ų71.128%0.2835%0.35SS..Hα-helixtrans-69.8-43.4172.4-63.1-179.285.100111.5F139 I174 R175 R176 R181 L182F139-E178 HydrophobicContact CE1-CB 4.38Å; F139-E178 HydrophobicContact CZ-CB 4.1Å; I174-E178 HydrophobicContact CG2-CB 4.02Å; R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 PolarHBondContact N-OE2 3.34Å; R175-E178 WeakPolarHBondContact O-CB 3.49Å; R175-E178 PolarHBondContact O-N 3.43Å; R176-E178 PolarHBondContact O-N 2.83Å; E178-R181 PolarHBondContact O-N 2.69Å; E178-L182 PolarHBondContact O-N 3.37Å
179G97.6Very high96.3Very high0 Ų069.1 Ų69.10%034%0.341CS..Hα-helixtrans-61.8-45.5173.500000112R175 R176 R181 L182 A183R175-G179 PolarHBondContact O-N 3.23Å; R176-G179 PolarHBondContact O-N 2.97Å; R176-G179 VanDerWaalsContact O-N 3.17Å; G179-R181 VanDerWaalsContact C-N 3.34Å; G179-R181 PolarHBondContact O-N 3.45Å; G179-L182 PolarHBondContact O-N 3.46Å; G179-A183 WeakPolarHBondContact O-CB 3.48Å; G179-A183 PolarHBondContact O-N 3.22Å
180E97.1Very high96.4Very high56 Ų5665.7 Ų65.726%0.26232%0.315SS..Hα-helixtrans-62.3-39.9175.8-69.9173.3177.400112.3R176 A183 R184 F190R176-E180 HydrophobicContact CG-CG 4.5Å; R176-E180 IonicContact NE-OE1 3.29Å; R176-E180 PolarHBondContact NE-OE1 2.92Å; R176-E180 WeakPolarHBondContact O-CG 3.41Å; R176-E180 PolarHBondContact O-N 3.5Å; E180-A183 PolarHBondContact O-N 3.39Å; E180-R184 WeakPolarHBondContact O-CG 3.42Å; E180-R184 PolarHBondContact O-N 2.8Å; E180-F190 HydrophobicContact CB-CD1 4.33Å; E180-F190 HydrophobicContact CG-CD1 3.5Å; E180-F190 VanDerWaalsContact CG-CD1 3.5Å; E180-F190 HydrophobicContact CG-CE1 3.62Å
181R97.9Very high96.5Very high142 Ų14260.5 Ų60.554%0.53628%0.279SS..Hα-helixtrans-64.4-45.8176-178.2-17963.2168.2-3.6111.6D177 E178 G179 A183 R184 E185D177-R181 VanDerWaalsContact O-CB 3.26Å; D177-R181 WeakPolarHBondContact O-CB 3.45Å; D177-R181 PolarHBondContact O-N 2.94Å; E178-R181 PolarHBondContact O-N 2.69Å; G179-R181 VanDerWaalsContact C-N 3.34Å; G179-R181 PolarHBondContact O-N 3.45Å; R181-A183 VanDerWaalsContact C-N 3.32Å; R181-A183 PolarHBondContact O-N 3.43Å; R181-R184 PolarHBondContact O-N 2.69Å; R181-E185 PolarHBondContact O-N 3.18Å
182L96.3Very high96.5Very high1 Ų155.3 Ų55.31%0.00525%0.254CS..Hα-helixtrans-62.6-41.9177.7-174.866.2000111F139 I142 R143 L161 E178 G179 R184 E185 Y186F139-L182 HydrophobicContact CD2-CD2 4.26Å; F139-L182 HydrophobicContact CE2-CB 4.3Å; F139-L182 HydrophobicContact CE2-CD2 3.55Å; F139-L182 HydrophobicContact CZ-CB 4.12Å; F139-L182 HydrophobicContact CZ-CD2 3.78Å; I142-L182 HydrophobicContact CB-CD2 3.89Å; I142-L182 HydrophobicContact CG2-CD2 3.52Å; I142-L182 HydrophobicContact CG2-CG 4.46Å; R143-L182 HydrophobicContact CG-CD1 3.98Å; L161-L182 HydrophobicContact CD2-CD2 4.28Å; L161-L182 HydrophobicContact CD2-CG 4.49Å; E178-L182 PolarHBondContact O-N 3.37Å; G179-L182 PolarHBondContact O-N 3.46Å; L182-R184 VanDerWaalsContact C-N 3.34Å; L182-R184 PolarHBondContact O-N 2.97Å; L182-E185 WeakPolarHBondContact O-CB 3.49Å; L182-E185 PolarHBondContact O-N 3.33Å; L182-Y186 HydrophobicContact CD1-CD2 3.94Å; L182-Y186 HydrophobicContact CD1-CE2 3.65Å; L182-Y186 HydrophobicContact CG-CD2 4.41Å; L182-Y186 WeakPolarHBondContact O-CD2 3.45Å; L182-Y186 PolarHBondContact O-N 2.91Å
183A95.8Very high96.6Very high4 Ų451.6 Ų51.63%0.03324%0.241CC..Hα-helixtrans-61-42.217700000112.6L161 G179 E180 R181 Y186 S187 V188 F190L161-A183 HydrophobicContact CD2-CB 4.19Å; G179-A183 WeakPolarHBondContact O-CB 3.48Å; G179-A183 PolarHBondContact O-N 3.22Å; E180-A183 PolarHBondContact O-N 3.39Å; R181-A183 VanDerWaalsContact C-N 3.32Å; R181-A183 PolarHBondContact O-N 3.43Å; A183-Y186 CarbonylContact O-C 3.56Å; A183-Y186 PolarHBondContact O-N 3.35Å; A183-S187 WeakPolarHBondContact O-CA 3.28Å; A183-S187 PolarHBondContact O-N 3.43Å; A183-V188 HydrophobicContact CB-CG2 4.27Å; A183-V188 WeakPolarHBondContact CB-O 3.38Å; A183-V188 PolarHBondContact O-N 3.27Å; A183-F190 HydrophobicContact CB-CB 3.36Å; A183-F190 HydrophobicContact CB-CG 4.15Å
184R95.4Very high96.6Very high160 Ų16049 Ų4960%0.60422%0.219SC*.Hα-helixtrans-63.8-40.7173.5-74.8-172.3-63.1-91.1-0.8112.6E180 R181 L182 Y186 S187E180-R184 WeakPolarHBondContact O-CG 3.42Å; E180-R184 PolarHBondContact O-N 2.8Å; R181-R184 PolarHBondContact O-N 2.69Å; L182-R184 VanDerWaalsContact C-N 3.34Å; L182-R184 PolarHBondContact O-N 2.97Å; R184-Y186 PolarHBondContact O-N 3.15Å; R184-S187 PolarHBondContact O-N 3.02Å
185E94.8Very high96.5Very high108 Ų10849 Ų4951%0.50522%0.22SC..Hα-helixtrans-55.8-40.2177.4-174.3-176.2158.800111.5R143 R181 L182R143-E185 IonicContact NE-OE1 3.02Å; R143-E185 IonicContact NH2-OE2 3.99Å; R143-E185 PolarHBondContact NH2-OE2 3.19Å; R181-E185 PolarHBondContact O-N 3.18Å; L182-E185 WeakPolarHBondContact O-CB 3.49Å; L182-E185 PolarHBondContact O-N 3.33Å
186Y91.9Very high96.5Very high55 Ų5547.7 Ų47.722%0.21622%0.218CC..THydrogen-bonded Turntrans-100.15.9-179.9-70.7-93.8000114.2R143 L146 L182 A183 R184 V188R143-Y186 HydrophobicContact CG-CE2 4.12Å; R143-Y186 WeakPolarHBondContact CG-OH 3.45Å; L146-Y186 HydrophobicContact CB-CD1 3.95Å; L146-Y186 HydrophobicContact CB-CE1 3.9Å; L146-Y186 HydrophobicContact CD1-CD1 3.75Å; L146-Y186 HydrophobicContact CD1-CD2 3.65Å; L146-Y186 HydrophobicContact CD1-CE1 4.09Å; L146-Y186 HydrophobicContact CD1-CE2 4.01Å; L146-Y186 HydrophobicContact CD1-CG 3.51Å; L146-Y186 HydrophobicContact CG-CD1 4.36Å; L182-Y186 HydrophobicContact CD1-CD2 3.94Å; L182-Y186 HydrophobicContact CD1-CE2 3.65Å; L182-Y186 HydrophobicContact CG-CD2 4.41Å; L182-Y186 WeakPolarHBondContact O-CD2 3.45Å; L182-Y186 PolarHBondContact O-N 2.91Å; A183-Y186 CarbonylContact O-C 3.56Å; A183-Y186 PolarHBondContact O-N 3.35Å; R184-Y186 PolarHBondContact O-N 3.15Å; Y186-V188 PolarHBondContact O-N 3.05Å
187S92.3Very high96.5Very high99 Ų9947.5 Ų47.569%0.69223%0.226SC*.THydrogen-bonded Turntrans53.535.1-178.2-570000114.6A183 R184A183-S187 WeakPolarHBondContact O-CA 3.28Å; A183-S187 PolarHBondContact O-N 3.43Å; R184-S187 PolarHBondContact O-N 3.02Å
188V94.1Very high96.5Very high10 Ų1045.5 Ų45.56%0.06122%0.221CC..  trans-106.7147.2176.6-62.20000111.1I159 L161 A183 Y186 H228I159-V188 HydrophobicContact CB-CG1 3.93Å; I159-V188 HydrophobicContact CG2-CG1 4.01Å; L161-V188 HydrophobicContact CB-CG2 4.07Å; A183-V188 HydrophobicContact CB-CG2 4.27Å; A183-V188 WeakPolarHBondContact CB-O 3.38Å; A183-V188 PolarHBondContact O-N 3.27Å; Y186-V188 PolarHBondContact O-N 3.05Å; V188-H228 PolarHBondContact O-NE2 3.07Å; V188-H228 VanDerWaalsContact O-NE2 3.13Å
189P96Very high96.4Very high7 Ų746 Ų465%0.04523%0.228CC..  trans-63.7148.7171.723-33.3000111.7I159 M160 L161 I227 H228 I231I159-P189 WeakPolarHBondContact O-CD 3.45Å; I159-P189 WeakPolarHBondContact O-CG 3.24Å; M160-P189 HydrophobicContact CB-CG 4.06Å; M160-P189 HydrophobicContact CE-CG 4.41Å; M160-P189 HydrophobicContact CG-CB 4.43Å; M160-P189 HydrophobicContact CG-CG 4.15Å; L161-P189 PolarHBondContact N-O 3.38Å; P189-I227 HydrophobicContact CB-CG1 4.37Å; P189-I227 HydrophobicContact CB-CG2 4.06Å; P189-I227 HydrophobicContact CG-CD1 4.12Å; P189-I227 HydrophobicContact CG-CG1 4.28Å; P189-I227 HydrophobicContact CG-CG2 3.73Å; P189-H228 WeakPolarHBondContact CA-NE2 3.24Å; P189-H228 VanDerWaalsContact CD-CE1 3.5Å; P189-H228 WeakPolarHBondContact CD-CE1 3.37Å; P189-I231 HydrophobicContact CB-CD1 3.59Å
190F97.6Very high96.5Very high14 Ų1448.2 Ų48.26%0.06124%0.24CC..EExtended strand (participates in β ladder)trans-136.1140.3-179.9169.9-99.2000114.2Y131 L161 R176 E180 A183 E192Y131-F190 AromaticContact CE1-CE2 3.91Å; Y131-F190 HydrophobicContact CE1-CE2 3.91Å; Y131-F190 WeakPolarHBondContact OH-CE2 3.38Å; L161-F190 HydrophobicContact CB-CD2 4.15Å; L161-F190 HydrophobicContact CD2-CD2 3.93Å; L161-F190 HydrophobicContact CG-CD2 3.85Å; L161-F190 HydrophobicContact CG-CE2 4.47Å; L161-F190 WeakPolarHBondContact O-CA 3.34Å; L161-F190 WeakPolarHBondContact O-CD2 3.07Å; R176-F190 HydrophobicContact CG-CE1 4.2Å; E180-F190 HydrophobicContact CB-CD1 4.33Å; E180-F190 HydrophobicContact CG-CD1 3.5Å; E180-F190 VanDerWaalsContact CG-CD1 3.5Å; E180-F190 HydrophobicContact CG-CE1 3.62Å; A183-F190 HydrophobicContact CB-CB 3.36Å; A183-F190 HydrophobicContact CB-CG 4.15Å; F190-E192 HydrophobicContact CE1-CG 4.13Å; F190-E192 HydrophobicContact CZ-CG 3.64Å
191M97Very high96.5Very high1 Ų145.7 Ų45.71%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-149.7150.5170.560.5-158.3-69.100111.6M160 L161 L162 G163 T193 N200 L203 A204M160-M191 HydrophobicContact CE-SD 4.33Å; M160-M191 HydrophobicContact SD-CG 4.4Å; M160-M191 HydrophobicContact SD-SD 3.6Å; M160-M191 VanDerWaalsContact SD-SD 3.6Å; L161-M191 PolarHBondContact O-N 3.39Å; L162-M191 WeakPolarHBondContact CA-O 3.37Å; L162-M191 HydrophobicContact CD2-CG 3.24Å; L162-M191 HydrophobicContact CD2-SD 3.84Å; G163-M191 PolarHBondContact N-O 3.11Å; M191-T193 HydrophobicContact CE-CG2 4.31Å; M191-T193 HydrophobicContact CG-CG2 4.14Å; M191-N200 HydrophobicContact CE-CB 3.52Å; M191-N200 WeakPolarHBondContact CE-O 3.42Å; M191-L203 HydrophobicContact CE-CB 4Å; M191-L203 HydrophobicContact CE-CD2 4.08Å; M191-L203 HydrophobicContact CE-CG 3.92Å; M191-A204 HydrophobicContact CE-CB 3.73Å; M191-A204 VanDerWaalsContact SD-CA 3.59Å; M191-A204 HydrophobicContact SD-CB 3.56Å; M191-A204 VanDerWaalsContact SD-CB 3.56Å
192E98.4Very high96.5Very high10 Ų1043.9 Ų43.95%0.04723%0.226CC..EExtended strand (participates in β ladder)trans-90.4136.9166.7-65.1-173.7142.100109.7G163 A166 R172 R176 F190 N200G163-E192 CarbonylContact O-C 3.59Å; G163-E192 WeakPolarHBondContact O-CA 3.42Å; A166-E192 HydrophobicContact CB-CB 4.11Å; R172-E192 IonicContact CZ-OE1 3.43Å; R172-E192 VanDerWaalsContact CZ-OE1 3.32Å; R172-E192 IonicContact CZ-OE2 2.71Å; R172-E192 IonicContact NH1-OE1 3.98Å; R172-E192 PolarHBondContact NH1-OE1 2.72Å; R172-E192 IonicContact NH2-OE1 2.69Å; R172-E192 PolarHBondContact NH2-OE1 3.1Å; R172-E192 IonicContact NH2-OE2 3.88Å; R172-E192 PolarHBondContact NH2-OE2 2.77Å; R176-E192 HydrophobicContact CG-CG 4.29Å; R176-E192 IonicContact CZ-OE2 2.79Å; R176-E192 IonicContact NH1-OE2 3.18Å; R176-E192 PolarHBondContact NH1-OE2 2.7Å; F190-E192 HydrophobicContact CE1-CG 4.13Å; F190-E192 HydrophobicContact CZ-CG 3.64Å; E192-N200 VanDerWaalsContact O-CB 3.29Å; E192-N200 WeakPolarHBondContact O-CB 3.33Å; E192-N200 PolarHBondContact O-ND2 3.27Å
193T98.6Very high96.5Very high0 Ų045.1 Ų45.10%023%0.232CC..  trans-124.7160.4-178.459.80000110.9L162 G163 N164 K165 A166 M191 V199 N200L162-T193 HydrophobicContact CD2-CG2 4.06Å; G163-T193 PolarHBondContact O-N 3.03Å; N164-T193 CarbonylContact C-O 3.54Å; N164-T193 VanDerWaalsContact CA-O 3.32Å; N164-T193 WeakPolarHBondContact CA-O 3.27Å; N164-T193 PolarHBondContact OD1-O 3.47Å; N164-T193 PolarHBondContact OD1-OG1 3.49Å; K165-T193 PolarHBondContact N-O 3.29Å; A166-T193 VanDerWaalsContact CB-O 3.29Å; A166-T193 WeakPolarHBondContact CB-O 3.13Å; A166-T193 PolarHBondContact N-O 2.86Å; M191-T193 HydrophobicContact CE-CG2 4.31Å; M191-T193 HydrophobicContact CG-CG2 4.14Å; T193-V199 WeakPolarHBondContact CA-O 3.32Å; T193-N200 HydrophobicContact CG2-CB 4.01Å
194S98.3Very high96.6Very high0 Ų044.9 Ų44.90%023%0.231CC..  trans-138107.9167.5165.30000108.9D167 K196 T197 G198 V199D167-S194 WeakPolarHBondContact OD1-CB 3.3Å; D167-S194 PolarHBondContact OD1-OG 2.88Å; S194-K196 PolarHBondContact O-N 3.19Å; S194-K196 PolarHBondContact OG-N 3.25Å; S194-T197 WeakPolarHBondContact CB-OG1 3.39Å; S194-T197 PolarHBondContact O-N 3.06Å; S194-T197 PolarHBondContact OG-N 3.07Å; S194-T197 VanDerWaalsContact OG-N 3.07Å; S194-T197 PolarHBondContact OG-OG1 2.98Å; S194-G198 CarbonylContact O-C 3.39Å; S194-G198 WeakPolarHBondContact O-CA 3.36Å; S194-G198 PolarHBondContact O-N 2.66Å; S194-V199 PolarHBondContact N-O 2.77Å; S194-V199 PolarHBondContact O-N 3.34Å
195A97.3Very high96.8Very high3 Ų337.3 Ų37.33%0.02520%0.202CC..THydrogen-bonded Turntrans-57.4-29.4170.300000112.3Q69 F75 N164Q69-A195 HydrophobicContact CB-CB 4.48Å; Q69-A195 VanDerWaalsContact CD-O 3.3Å; Q69-A195 VanDerWaalsContact CG-O 3.28Å; Q69-A195 WeakPolarHBondContact CG-O 3.31Å; Q69-A195 PolarHBondContact OE1-O 3.06Å; F75-A195 HydrophobicContact CD2-CB 4.32Å; N164-A195 PolarHBondContact OD1-N 2.85Å
196K96.6Very high96.9Very high123 Ų12333.3 Ų33.354%0.53519%0.185SC..THydrogen-bonded Turntrans-70.8-41.7-179.5-173-172.9-175.4178.50113.1F75 D167 S194F75-K196 HydrophobicContact CD1-CB 4.31Å; F75-K196 HydrophobicContact CD1-CG 3.91Å; F75-K196 HydrophobicContact CD2-CB 4.14Å; F75-K196 HydrophobicContact CE1-CB 4.36Å; F75-K196 HydrophobicContact CE1-CG 4.01Å; F75-K196 HydrophobicContact CE2-CB 4.19Å; F75-K196 HydrophobicContact CG-CB 4.19Å; F75-K196 HydrophobicContact CG-CG 4.23Å; F75-K196 HydrophobicContact CZ-CB 4.3Å; F75-K196 HydrophobicContact CZ-CG 4.41Å; D167-K196 WeakPolarHBondContact OD2-CD 3.48Å; D167-K196 IonicContact OD2-NZ 2.66Å; S194-K196 PolarHBondContact O-N 3.19Å; S194-K196 PolarHBondContact OG-N 3.25Å
197T97.3Very high97.1Very high79 Ų7930.7 Ų30.749%0.48518%0.175SC..THydrogen-bonded Turntrans-100.8-12.5-174.960.60000112.9D167 S194 V199D167-T197 HydrophobicContact CB-CG2 3.79Å; S194-T197 WeakPolarHBondContact CB-OG1 3.39Å; S194-T197 PolarHBondContact O-N 3.06Å; S194-T197 PolarHBondContact OG-N 3.07Å; S194-T197 VanDerWaalsContact OG-N 3.07Å; S194-T197 PolarHBondContact OG-OG1 2.98Å; T197-V199 PolarHBondContact O-N 3.01Å; T197-V199 VanDerWaalsContact OG1-CG2 3.28Å; T197-V199 WeakPolarHBondContact OG1-CG2 3.39Å; T197-V199 PolarHBondContact OG1-N 2.81Å
198G97.3Very high97.3Very high24 Ų2426 Ų2625%0.24714%0.142CC..  trans79.7-3.7-17200000114S194 N200 V201S194-G198 CarbonylContact O-C 3.39Å; S194-G198 WeakPolarHBondContact O-CA 3.36Å; S194-G198 PolarHBondContact O-N 2.66Å; G198-N200 PolarHBondContact O-N 3.36Å; G198-N200 VanDerWaalsContact O-N 3.13Å; G198-V201 PolarHBondContact O-N 3.38Å; G198-V201 VanDerWaalsContact O-N 3.15Å
199V97.8Very high97.4Very high71 Ų7125.5 Ų25.543%0.4314%0.139SC..THydrogen-bonded Turntrans-53.8123.7179.8167.40000109.7T193 S194 T197 V201T193-V199 WeakPolarHBondContact CA-O 3.32Å; S194-V199 PolarHBondContact N-O 2.77Å; S194-V199 PolarHBondContact O-N 3.34Å; T197-V199 PolarHBondContact O-N 3.01Å; T197-V199 VanDerWaalsContact OG1-CG2 3.28Å; T197-V199 WeakPolarHBondContact OG1-CG2 3.39Å; T197-V199 PolarHBondContact OG1-N 2.81Å; V199-V201 PolarHBondContact O-N 3.26Å
200N97.9Very high97.4Very high46 Ų4627.1 Ų27.125%0.24615%0.145CC..THydrogen-bonded Turntrans61.45.3174.9-71.5-22.3000115.4M191 E192 T193 G198 A204M191-N200 HydrophobicContact CE-CB 3.52Å; M191-N200 WeakPolarHBondContact CE-O 3.42Å; E192-N200 VanDerWaalsContact O-CB 3.29Å; E192-N200 WeakPolarHBondContact O-CB 3.33Å; E192-N200 PolarHBondContact O-ND2 3.27Å; T193-N200 HydrophobicContact CG2-CB 4.01Å; G198-N200 PolarHBondContact O-N 3.36Å; G198-N200 VanDerWaalsContact O-N 3.13Å; N200-A204 PolarHBondContact O-N 3.24Å; N200-A204 VanDerWaalsContact O-N 3.07Å
201V98.2Very high97.2Very high3 Ų327.1 Ų27.12%0.01815%0.145CC..Hα-helixtrans-66.4-56.5-179.9179.10000110.5L66 Q69 F70 G198 V199 L203 A204 F205L66-V201 HydrophobicContact CD1-CB 4.39Å; L66-V201 HydrophobicContact CD1-CG1 4.12Å; L66-V201 HydrophobicContact CD1-CG2 3.7Å; L66-V201 HydrophobicContact CG-CG1 4.29Å; Q69-V201 HydrophobicContact CB-CG1 4.24Å; Q69-V201 HydrophobicContact CG-CB 4.25Å; Q69-V201 HydrophobicContact CG-CG1 4.09Å; Q69-V201 HydrophobicContact CG-CG2 3.98Å; F70-V201 HydrophobicContact CB-CG1 3.78Å; G198-V201 PolarHBondContact O-N 3.38Å; G198-V201 VanDerWaalsContact O-N 3.15Å; V199-V201 PolarHBondContact O-N 3.26Å; V201-L203 VanDerWaalsContact C-N 3.26Å; V201-L203 PolarHBondContact O-N 3.23Å; V201-A204 PolarHBondContact O-N 3.22Å; V201-F205 HydrophobicContact CG1-CD2 4.43Å; V201-F205 HydrophobicContact CG1-CE2 4.26Å; V201-F205 WeakPolarHBondContact O-CD2 3.39Å; V201-F205 PolarHBondContact O-N 2.92Å
202E97.3Very high97.1Very high103 Ų10327.3 Ų27.348%0.48115%0.147SC..Hα-helixtrans-57.9-41.1178-171.963.6-160.300112.1F70 A204 F205 T206F70-E202 VanDerWaalsContact CD2-OE2 3.31Å; F70-E202 WeakPolarHBondContact CD2-OE2 3.26Å; F70-E202 VanDerWaalsContact CE2-OE2 3.31Å; F70-E202 WeakPolarHBondContact CE2-OE2 3.36Å; E202-A204 VanDerWaalsContact C-N 3.34Å; E202-A204 PolarHBondContact O-N 3.03Å; E202-F205 PolarHBondContact O-N 2.99Å; E202-T206 VanDerWaalsContact O-CB 3.28Å; E202-T206 WeakPolarHBondContact O-CB 3.39Å; E202-T206 PolarHBondContact O-N 3.04Å; E202-T206 PolarHBondContact O-OG1 2.86Å
203L97.4Very high96.8Very high27 Ų2727.8 Ų27.814%0.14115%0.148CC..Hα-helixtrans-63.2-39.2-179.5177.959.6000112M191 V201 T206 A207 Y230 Q234M191-L203 HydrophobicContact CE-CB 4Å; M191-L203 HydrophobicContact CE-CD2 4.08Å; M191-L203 HydrophobicContact CE-CG 3.92Å; V201-L203 VanDerWaalsContact C-N 3.26Å; V201-L203 PolarHBondContact O-N 3.23Å; L203-T206 PolarHBondContact O-N 2.95Å; L203-A207 WeakPolarHBondContact O-CB 3.44Å; L203-A207 PolarHBondContact O-N 2.68Å; L203-Y230 HydrophobicContact CD1-CE1 3.64Å; L203-Q234 HydrophobicContact CD1-CB 4.14Å; L203-Q234 HydrophobicContact CD1-CG 3.75Å; L203-Q234 HydrophobicContact CD2-CB 3.81Å; L203-Q234 HydrophobicContact CD2-CG 4.36Å
204A98.1Very high96.4Very high0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-61.2-50.7179.400000111.3M160 L162 M191 N200 V201 E202 A207 V208M160-A204 HydrophobicContact SD-CB 4.09Å; L162-A204 HydrophobicContact CD1-CB 4.46Å; L162-A204 HydrophobicContact CD2-CB 4.15Å; M191-A204 HydrophobicContact CE-CB 3.73Å; M191-A204 VanDerWaalsContact SD-CA 3.59Å; M191-A204 HydrophobicContact SD-CB 3.56Å; M191-A204 VanDerWaalsContact SD-CB 3.56Å; N200-A204 PolarHBondContact O-N 3.24Å; N200-A204 VanDerWaalsContact O-N 3.07Å; V201-A204 PolarHBondContact O-N 3.22Å; E202-A204 VanDerWaalsContact C-N 3.34Å; E202-A204 PolarHBondContact O-N 3.03Å; A204-A207 PolarHBondContact O-N 3.15Å; A204-V208 PolarHBondContact O-N 3.42Å; A204-V208 VanDerWaalsContact O-N 3.17Å
205F98.1Very high95.9Very high0 Ų034.3 Ų34.30%018%0.175CC..Hα-helixtrans-69-37.8179.7-71.4-83.3000112.3L55 L66 F70 L102 I104 L128 V201 E202 V208 A209L55-F205 HydrophobicContact CD2-CE1 4.18Å; L55-F205 HydrophobicContact CD2-CZ 4.09Å; L66-F205 HydrophobicContact CD2-CE2 4.04Å; L66-F205 HydrophobicContact CD2-CZ 4.23Å; L66-F205 HydrophobicContact CG-CE2 4.19Å; F70-F205 HydrophobicContact CB-CD2 3.74Å; F70-F205 HydrophobicContact CB-CE2 3.57Å; F70-F205 HydrophobicContact CB-CZ 4.26Å; F70-F205 HydrophobicContact CD1-CB 4.26Å; F70-F205 AromaticContact CD1-CD1 3.8Å; F70-F205 HydrophobicContact CD1-CD1 3.8Å; F70-F205 AromaticContact CD1-CD2 3.67Å; F70-F205 HydrophobicContact CD1-CD2 3.67Å; F70-F205 AromaticContact CD1-CE1 3.99Å; F70-F205 HydrophobicContact CD1-CE1 3.99Å; F70-F205 AromaticContact CD1-CE2 3.89Å; F70-F205 HydrophobicContact CD1-CE2 3.89Å; F70-F205 AromaticContact CD1-CG 3.64Å; F70-F205 HydrophobicContact CD1-CG 3.64Å; F70-F205 HydrophobicContact CD1-CZ 4.04Å; F70-F205 HydrophobicContact CD2-CB 3.89Å; F70-F205 AromaticContact CD2-CD2 3.53Å; F70-F205 HydrophobicContact CD2-CD2 3.53Å; F70-F205 HydrophobicContact CD2-CE2 4.27Å; F70-F205 AromaticContact CD2-CG 3.84Å; F70-F205 HydrophobicContact CD2-CG 3.84Å; F70-F205 HydrophobicContact CE1-CB 3.83Å; F70-F205 AromaticContact CE1-CD1 3.72Å; F70-F205 HydrophobicContact CE1-CD1 3.72Å; F70-F205 HydrophobicContact CE1-CD2 4.13Å; F70-F205 HydrophobicContact CE1-CE1 4.3Å; F70-F205 AromaticContact CE1-CG 3.62Å; F70-F205 HydrophobicContact CE1-CG 3.62Å; F70-F205 HydrophobicContact CE2-CB 3.44Å; F70-F205 VanDerWaalsContact CE2-CB 3.44Å; F70-F205 HydrophobicContact CE2-CD2 4.02Å; F70-F205 AromaticContact CE2-CG 3.85Å; F70-F205 HydrophobicContact CE2-CG 3.85Å; F70-F205 HydrophobicContact CG-CB 4.28Å; F70-F205 HydrophobicContact CG-CD1 4.34Å; F70-F205 AromaticContact CG-CD2 3.34Å; F70-F205 HydrophobicContact CG-CD2 3.34Å; F70-F205 AromaticContact CG-CE2 3.64Å; F70-F205 HydrophobicContact CG-CE2 3.64Å; F70-F205 AromaticContact CG-CG 3.74Å; F70-F205 HydrophobicContact CG-CG 3.74Å; F70-F205 HydrophobicContact CG-CZ 4.25Å; F70-F205 HydrophobicContact CZ-CB 3.39Å; F70-F205 HydrophobicContact CZ-CD1 4.21Å; F70-F205 HydrophobicContact CZ-CD2 4.29Å; F70-F205 AromaticContact CZ-CG 3.73Å; F70-F205 HydrophobicContact CZ-CG 3.73Å; L102-F205 HydrophobicContact CD1-CB 4.28Å; L102-F205 HydrophobicContact CD1-CD1 4.17Å; I104-F205 HydrophobicContact CD1-CD1 3.97Å; I104-F205 HydrophobicContact CD1-CE1 3.73Å; I104-F205 HydrophobicContact CG1-CE1 4.38Å; I104-F205 HydrophobicContact CG2-CE1 4.31Å; L128-F205 HydrophobicContact CD1-CD1 3.85Å; L128-F205 HydrophobicContact CD1-CE1 3.44Å; L128-F205 VanDerWaalsContact CD1-CE1 3.44Å; L128-F205 HydrophobicContact CD1-CE2 4.22Å; L128-F205 HydrophobicContact CD1-CG 4.4Å; L128-F205 HydrophobicContact CD1-CZ 3.65Å; V201-F205 HydrophobicContact CG1-CD2 4.43Å; V201-F205 HydrophobicContact CG1-CE2 4.26Å; V201-F205 WeakPolarHBondContact O-CD2 3.39Å; V201-F205 PolarHBondContact O-N 2.92Å; E202-F205 PolarHBondContact O-N 2.99Å; F205-V208 PolarHBondContact O-N 3.39Å; F205-A209 WeakPolarHBondContact O-CB 3.4Å; F205-A209 PolarHBondContact O-N 3.45Å
206T96.9Very high95.4Very high24 Ų2436.4 Ų36.415%0.14719%0.192CC..Hα-helixtrans-65.2-42.3176-60.10000112V95 E202 L203 V208 A209 K210V95-T206 HydrophobicContact CG2-CG2 4.38Å; E202-T206 VanDerWaalsContact O-CB 3.28Å; E202-T206 WeakPolarHBondContact O-CB 3.39Å; E202-T206 PolarHBondContact O-N 3.04Å; E202-T206 PolarHBondContact O-OG1 2.86Å; L203-T206 PolarHBondContact O-N 2.95Å; T206-V208 PolarHBondContact O-N 3.37Å; T206-A209 PolarHBondContact O-N 2.86Å; T206-K210 WeakPolarHBondContact O-CB 3.3Å; T206-K210 PolarHBondContact O-N 3.16Å
207A96.9Very high94.7Very high0 Ų032.4 Ų32.40%018%0.176CC..Hα-helixtrans-61.6-43.9177.200000111.6M160 L203 A204 K210 E211 I227 Y230 I231M160-A207 HydrophobicContact CE-CB 3.83Å; L203-A207 WeakPolarHBondContact O-CB 3.44Å; L203-A207 PolarHBondContact O-N 2.68Å; A204-A207 PolarHBondContact O-N 3.15Å; A207-K210 PolarHBondContact O-N 2.87Å; A207-E211 PolarHBondContact O-N 3.45Å; A207-I227 HydrophobicContact CB-CD1 4.2Å; A207-I227 HydrophobicContact CB-CG1 4.2Å; A207-Y230 HydrophobicContact CB-CD1 3.82Å; A207-Y230 HydrophobicContact CB-CE1 3.76Å; A207-I231 HydrophobicContact CB-CG1 4.35Å
208V96.8Very high93.2Very high1 Ų135.8 Ų35.81%0.00619%0.187CC..Hα-helixtrans-64.5-46.9174.6166.80000111.5A126 L128 V158 M160 A204 F205 T206 K210 E211 L212A126-V208 HydrophobicContact CB-CG1 3.39Å; L128-V208 HydrophobicContact CD2-CG2 3.71Å; V158-V208 HydrophobicContact CG1-CG2 4.45Å; M160-V208 HydrophobicContact CB-CG2 4.46Å; M160-V208 HydrophobicContact CE-CG2 3.77Å; M160-V208 HydrophobicContact SD-CG2 4.25Å; A204-V208 PolarHBondContact O-N 3.42Å; A204-V208 VanDerWaalsContact O-N 3.17Å; F205-V208 PolarHBondContact O-N 3.39Å; T206-V208 PolarHBondContact O-N 3.37Å; V208-K210 PolarHBondContact O-N 3.33Å; V208-E211 PolarHBondContact O-N 2.9Å; V208-L212 HydrophobicContact CG1-CD1 3.58Å; V208-L212 HydrophobicContact CG1-CG 4.22Å; V208-L212 WeakPolarHBondContact O-CB 3.47Å; V208-L212 VanDerWaalsContact O-CG 3.22Å; V208-L212 WeakPolarHBondContact O-CG 3.2Å; V208-L212 PolarHBondContact O-N 2.99Å
209A96.4Very high91Very high0 Ų038.4 Ų38.40%019%0.192CC..Hα-helixtrans-58.7-38.2177.100000112.1V93 V95 V100 L102 F205 T206 K213V93-A209 HydrophobicContact CB-CB 4.22Å; V93-A209 HydrophobicContact CG1-CB 4.21Å; V95-A209 HydrophobicContact CG2-CB 3.92Å; V100-A209 HydrophobicContact CB-CB 4.31Å; V100-A209 HydrophobicContact CG1-CB 4.14Å; L102-A209 HydrophobicContact CD1-CB 4.34Å; L102-A209 HydrophobicContact CD2-CB 4.2Å; F205-A209 WeakPolarHBondContact O-CB 3.4Å; F205-A209 PolarHBondContact O-N 3.45Å; T206-A209 PolarHBondContact O-N 2.86Å; A209-K213 VanDerWaalsContact O-CB 3.31Å; A209-K213 WeakPolarHBondContact O-CB 3.16Å; A209-K213 PolarHBondContact O-N 2.81Å
210K95.2Very high88.8Confident41 Ų4141 Ų4118%0.17821%0.211CC..Hα-helixtrans-66.6-44.8177.3-171.1159.3-179.1148.30112.8V95 D96 T206 A207 V208 H214 F225V95-K210 HydrophobicContact CG1-CB 3.62Å; V95-K210 HydrophobicContact CG1-CD 3.77Å; V95-K210 HydrophobicContact CG1-CG 3.62Å; D96-K210 IonicContact OD1-NZ 3.15Å; D96-K210 PolarHBondContact OD1-NZ 3.42Å; D96-K210 WeakPolarHBondContact OD2-CE 3.42Å; D96-K210 IonicContact OD2-NZ 3.51Å; D96-K210 PolarHBondContact OD2-NZ 2.93Å; D96-K210 VanDerWaalsContact OD2-NZ 3.15Å; T206-K210 WeakPolarHBondContact O-CB 3.3Å; T206-K210 PolarHBondContact O-N 3.16Å; A207-K210 PolarHBondContact O-N 2.87Å; V208-K210 PolarHBondContact O-N 3.33Å; K210-H214 WeakPolarHBondContact O-CB 3.25Å; K210-H214 PolarHBondContact O-N 3.04Å; K210-F225 HydrophobicContact CB-CE1 4.02Å; K210-F225 HydrophobicContact CB-CZ 4.01Å; K210-F225 HydrophobicContact CD-CD2 4.33Å; K210-F225 HydrophobicContact CD-CE1 4.43Å; K210-F225 HydrophobicContact CD-CE2 3.61Å; K210-F225 HydrophobicContact CD-CZ 3.67Å; K210-F225 HydrophobicContact CG-CD1 4.28Å; K210-F225 HydrophobicContact CG-CD2 4.23Å; K210-F225 HydrophobicContact CG-CE1 3.89Å; K210-F225 HydrophobicContact CG-CE2 3.82Å; K210-F225 HydrophobicContact CG-CG 4.45Å; K210-F225 HydrophobicContact CG-CZ 3.63Å
211E94.3Very high86.6Confident13 Ų1346.6 Ų46.66%0.06124%0.24CC..Hα-helixtrans-60.4-47.4174.5178.570.3-152.800111.4V158 A207 V208 K213 H214 R215 F225 I227V158-E211 HydrophobicContact CB-CG 4.47Å; V158-E211 HydrophobicContact CG1-CG 3.99Å; V158-E211 HydrophobicContact CG2-CB 4.48Å; V158-E211 HydrophobicContact CG2-CG 3.56Å; A207-E211 PolarHBondContact O-N 3.45Å; V208-E211 PolarHBondContact O-N 2.9Å; E211-K213 PolarHBondContact O-N 3.24Å; E211-H214 PolarHBondContact O-N 3.34Å; E211-R215 WeakPolarHBondContact O-CG 3.18Å; E211-R215 PolarHBondContact O-N 3.28Å; E211-R215 IonicContact OE1-CZ 2.83Å; E211-R215 IonicContact OE1-NE 3.18Å; E211-R215 PolarHBondContact OE1-NE 3.12Å; E211-R215 IonicContact OE1-NH2 2.71Å; E211-R215 PolarHBondContact OE1-NH2 3.26Å; E211-F225 HydrophobicContact CB-CD1 3.96Å; E211-F225 HydrophobicContact CB-CE1 4.04Å; E211-F225 WeakPolarHBondContact OE2-CD1 3.45Å; E211-I227 HydrophobicContact CB-CD1 4.12Å
212L93.7Very high84.6Confident6 Ų651.8 Ų51.83%0.03127%0.265CS..Hα-helixtrans-62.7-45179.6-69.6168.6000112.2H51 L102 H125 A126 V158 V208 H214 R215 A216H51-L212 HydrophobicContact CB-CD1 3.65Å; H51-L212 HydrophobicContact CB-CG 4.48Å; L102-L212 HydrophobicContact CD2-CD1 4.19Å; H125-L212 HydrophobicContact CB-CD2 3.6Å; H125-L212 WeakPolarHBondContact O-CD2 3.42Å; A126-L212 HydrophobicContact CB-CD1 3.99Å; A126-L212 HydrophobicContact CB-CD2 4.43Å; V158-L212 HydrophobicContact CG2-CD2 3.85Å; V158-L212 HydrophobicContact CG2-CG 4.37Å; V208-L212 HydrophobicContact CG1-CD1 3.58Å; V208-L212 HydrophobicContact CG1-CG 4.22Å; V208-L212 WeakPolarHBondContact O-CB 3.47Å; V208-L212 VanDerWaalsContact O-CG 3.22Å; V208-L212 WeakPolarHBondContact O-CG 3.2Å; V208-L212 PolarHBondContact O-N 2.99Å; L212-H214 VanDerWaalsContact C-N 3.33Å; L212-H214 PolarHBondContact O-N 2.83Å; L212-R215 PolarHBondContact O-N 3.04Å; L212-A216 WeakPolarHBondContact O-CB 3.4Å; L212-A216 PolarHBondContact O-N 2.86Å
213K93.2Very high82.6Confident19 Ų1952.2 Ų52.28%0.08328%0.276CS..Hα-helixtrans-56.9-47.6173.4-177.9-170.670.9165.20111.4L49 V95 D96 V98 V100 A209 E211 R215 A216 I217L49-K213 HydrophobicContact CD1-CB 4.42Å; L49-K213 HydrophobicContact CD1-CG 3.81Å; V95-K213 PolarHBondContact O-NZ 2.9Å; D96-K213 VanDerWaalsContact CB-NZ 3.3Å; D96-K213 IonicContact OD2-NZ 3.65Å; D96-K213 PolarHBondContact OD2-NZ 3.49Å; V98-K213 HydrophobicContact CB-CD 3.8Å; V98-K213 HydrophobicContact CG1-CD 4.02Å; V98-K213 HydrophobicContact CG2-CD 4.25Å; V100-K213 HydrophobicContact CG2-CB 3.98Å; V100-K213 HydrophobicContact CG2-CD 4.33Å; V100-K213 HydrophobicContact CG2-CG 4.32Å; A209-K213 VanDerWaalsContact O-CB 3.31Å; A209-K213 WeakPolarHBondContact O-CB 3.16Å; A209-K213 PolarHBondContact O-N 2.81Å; E211-K213 PolarHBondContact O-N 3.24Å; K213-R215 VanDerWaalsContact C-N 3.32Å; K213-R215 PolarHBondContact O-N 2.74Å; K213-A216 PolarHBondContact O-N 2.89Å; K213-I217 HydrophobicContact CD-CD1 4.1Å; K213-I217 HydrophobicContact CG-CD1 3.52Å; K213-I217 HydrophobicContact CG-CG1 4.29Å; K213-I217 WeakPolarHBondContact O-CG1 3.25Å; K213-I217 PolarHBondContact O-N 3.29Å
214H89.7Confident81.2Confident46 Ų4659.3 Ų59.321%0.21331%0.306CS..Hα-helixtrans-60.8-43.4179.8-175.2-82.6000111.4K210 E211 L212 A216 Q218 P223 F225K210-H214 WeakPolarHBondContact O-CB 3.25Å; K210-H214 PolarHBondContact O-N 3.04Å; E211-H214 PolarHBondContact O-N 3.34Å; L212-H214 VanDerWaalsContact C-N 3.33Å; L212-H214 PolarHBondContact O-N 2.83Å; H214-A216 VanDerWaalsContact C-N 3.33Å; H214-A216 PolarHBondContact O-N 3.21Å; H214-Q218 PolarHBondContact O-N 3.25Å; H214-P223 PolarHBondContact CE1-O 2.94Å; H214-P223 PolarHBondContact NE2-O 3.26Å; H214-F225 HydrophobicContact CB-CB 3.75Å; H214-F225 PolarHBondContact CE1-N 2.57Å; H214-F225 VanDerWaalsContact CE1-N 3.29Å; H214-F225 VanDerWaalsContact CG-CB 3.44Å; H214-F225 PolarHBondContact ND1-N 3.05Å; H214-F225 PolarHBondContact NE2-N 2.93Å
215R88.4Confident80.2Confident91 Ų9160.7 Ų60.734%0.34331%0.312SS..Hα-helixtrans-65.3-32.2175.5-71-175.7-171-160.92.1113.7D156 V158 E211 L212 K213 Q218D156-R215 PolarHBondContact O-NH1 3.12Å; V158-R215 VanDerWaalsContact CG2-CZ 3.49Å; E211-R215 WeakPolarHBondContact O-CG 3.18Å; E211-R215 PolarHBondContact O-N 3.28Å; E211-R215 IonicContact OE1-CZ 2.83Å; E211-R215 IonicContact OE1-NE 3.18Å; E211-R215 PolarHBondContact OE1-NE 3.12Å; E211-R215 IonicContact OE1-NH2 2.71Å; E211-R215 PolarHBondContact OE1-NH2 3.26Å; L212-R215 PolarHBondContact O-N 3.04Å; K213-R215 VanDerWaalsContact C-N 3.32Å; K213-R215 PolarHBondContact O-N 2.74Å; R215-Q218 WeakPolarHBondContact O-CG 2.92Å
216A86.1Confident79.5Confident47 Ų4765.5 Ų65.539%0.38834%0.335SS..Hα-helixtrans-77.9-39.5-179.900000112.6L49 L212 K213 H214 Q218L49-A216 HydrophobicContact CD2-CB 3.82Å; L212-A216 WeakPolarHBondContact O-CB 3.4Å; L212-A216 PolarHBondContact O-N 2.86Å; K213-A216 PolarHBondContact O-N 2.89Å; H214-A216 VanDerWaalsContact C-N 3.33Å; H214-A216 PolarHBondContact O-N 3.21Å; A216-Q218 VanDerWaalsContact C-N 3.33Å; A216-Q218 PolarHBondContact O-N 3.19Å
217I81.6Confident78.9Confident39 Ų3965 Ų6520%0.233%0.331CS..Hα-helixtrans-870.3-172.7-59176.7000112.8Y45 L49 K213 H219Y45-I217 HydrophobicContact CD1-CG2 4.35Å; Y45-I217 HydrophobicContact CE1-CG2 3.68Å; L49-I217 HydrophobicContact CD1-CD1 4.06Å; L49-I217 HydrophobicContact CD1-CG1 4.49Å; K213-I217 HydrophobicContact CD-CD1 4.1Å; K213-I217 HydrophobicContact CG-CD1 3.52Å; K213-I217 HydrophobicContact CG-CG1 4.29Å; K213-I217 WeakPolarHBondContact O-CG1 3.25Å; K213-I217 PolarHBondContact O-N 3.29Å; I217-H219 PolarHBondContact O-N 2.83Å; I217-H219 VanDerWaalsContact O-N 3.09Å
218Q65.1Low78.3Confident150 Ų15068.5 Ų68.570%0.70135%0.347SS*.  trans-15.499.8-168.9-60.4-161.4-2.400115.6H214 R215 A216 P220H214-Q218 PolarHBondContact O-N 3.25Å; R215-Q218 WeakPolarHBondContact O-CG 2.92Å; A216-Q218 VanDerWaalsContact C-N 3.33Å; A216-Q218 PolarHBondContact O-N 3.19Å; Q218-P220 WeakPolarHBondContact O-CD 3.25Å
219H52.3Low77.6Confident79 Ų7974.3 Ų74.337%0.36637%0.374SS..  trans-82.3121.6162.5-71.9-69000108.1Y45 I217 N221 E222Y45-H219 PolarHBondContact OH-NE2 3.11Å; I217-H219 PolarHBondContact O-N 2.83Å; I217-H219 VanDerWaalsContact O-N 3.09Å; H219-N221 PolarHBondContact O-N 3.36Å; H219-E222 HydrophobicContact CB-CB 4.05Å; H219-E222 HydrophobicContact CB-CG 3.84Å; H219-E222 IonicContact CD2-OE2 2.84Å; H219-E222 PolarHBondContact O-N 2.66Å; H219-E222 VanDerWaalsContact O-N 3.11Å
220P50.7Low77Confident127 Ų12776.5 Ų76.583%0.82538%0.383SS*.THydrogen-bonded Turntrans-55.7-16.4-176.7-26.233000115.4Q218Q218-P220 WeakPolarHBondContact O-CD 3.25Å
221N51.6Low76.6Confident162 Ų16274.7 Ų74.787%0.86638%0.375SS*.THydrogen-bonded Turntrans-116.54-174.8-68.7-24.7000114.2H219H219-N221 PolarHBondContact O-N 3.36Å
222E56.9Low76.1Confident113 Ų11379.5 Ų79.553%0.52840%0.397SS..SBendtrans-92.9142175.7-77.1-169.6162.700111.9H219H219-E222 HydrophobicContact CB-CB 4.05Å; H219-E222 HydrophobicContact CB-CG 3.84Å; H219-E222 IonicContact CD2-OE2 2.84Å; H219-E222 PolarHBondContact O-N 2.66Å; H219-E222 VanDerWaalsContact O-N 3.11Å
223P56Low75.5Confident111 Ų11181 Ų8172%0.72141%0.409SS*.PPolyproline II helixtrans-59141.5174.424.6-31.8000110.2H214 F225H214-P223 PolarHBondContact CE1-O 2.94Å; H214-P223 PolarHBondContact NE2-O 3.26Å; P223-F225 PolarHBondContact O-N 3.19Å
224K66.6Low75Confident176 Ų17682.6 Ų82.677%0.76542%0.416SS*.PPolyproline II helixtrans-56.3129.4173.3-70.5-174.5177.9-176.40109.1Q226K224-Q226 PolarHBondContact O-N 2.81Å
225F78.7Confident74.3Confident30 Ų3083.4 Ų83.413%0.13242%0.419CS..PPolyproline II helixtrans-61.4128.1170.8175-109.4000108.5K210 E211 H214 P223 I227 Y230K210-F225 HydrophobicContact CB-CE1 4.02Å; K210-F225 HydrophobicContact CB-CZ 4.01Å; K210-F225 HydrophobicContact CD-CD2 4.33Å; K210-F225 HydrophobicContact CD-CE1 4.43Å; K210-F225 HydrophobicContact CD-CE2 3.61Å; K210-F225 HydrophobicContact CD-CZ 3.67Å; K210-F225 HydrophobicContact CG-CD1 4.28Å; K210-F225 HydrophobicContact CG-CD2 4.23Å; K210-F225 HydrophobicContact CG-CE1 3.89Å; K210-F225 HydrophobicContact CG-CE2 3.82Å; K210-F225 HydrophobicContact CG-CG 4.45Å; K210-F225 HydrophobicContact CG-CZ 3.63Å; E211-F225 HydrophobicContact CB-CD1 3.96Å; E211-F225 HydrophobicContact CB-CE1 4.04Å; E211-F225 WeakPolarHBondContact OE2-CD1 3.45Å; H214-F225 HydrophobicContact CB-CB 3.75Å; H214-F225 PolarHBondContact CE1-N 2.57Å; H214-F225 VanDerWaalsContact CE1-N 3.29Å; H214-F225 VanDerWaalsContact CG-CB 3.44Å; H214-F225 PolarHBondContact ND1-N 3.05Å; H214-F225 PolarHBondContact NE2-N 2.93Å; P223-F225 PolarHBondContact O-N 3.19Å; F225-I227 HydrophobicContact CD1-CB 4.5Å; F225-I227 HydrophobicContact CE1-CB 4Å; F225-I227 HydrophobicContact CE1-CG1 4.32Å; F225-Y230 HydrophobicContact CE2-CD2 4.28Å; F225-Y230 AromaticContact CE2-CG 3.97Å; F225-Y230 HydrophobicContact CE2-CG 3.97Å; F225-Y230 VanDerWaalsContact CZ-CB 3.45Å; F225-Y230 AromaticContact CZ-CD1 3.92Å; F225-Y230 HydrophobicContact CZ-CD1 3.92Å; F225-Y230 HydrophobicContact CZ-CD2 4.3Å; F225-Y230 AromaticContact CZ-CG 3.63Å; F225-Y230 HydrophobicContact CZ-CG 3.63Å
226Q82.2Confident73.2Confident101 Ų10186.2 Ų86.247%0.47244%0.436SS..  trans-104.194.2-179.3-64.9-78.864.600107.8K224 H228 E229 Y230K224-Q226 PolarHBondContact O-N 2.81Å; Q226-H228 PolarHBondContact O-N 3.41Å; Q226-H228 VanDerWaalsContact O-N 3.15Å; Q226-E229 HydrophobicContact CB-CB 4.05Å; Q226-E229 HydrophobicContact CB-CG 3.82Å; Q226-E229 PolarHBondContact O-N 3.02Å; Q226-E229 VanDerWaalsContact O-N 3.07Å; Q226-Y230 PolarHBondContact O-N 3.26Å; Q226-Y230 VanDerWaalsContact O-N 3.11Å
227I85.6Confident72.2Confident12 Ų1290.8 Ų90.86%0.06245%0.447CS..Hα-helixtrans-53.8-34.9-178.8-170.1164.8000113V158 M160 P189 A207 E211 F225 Y230 I231V158-I227 HydrophobicContact CG1-CD1 4.46Å; M160-I227 HydrophobicContact CE-CD1 3.55Å; M160-I227 HydrophobicContact CE-CG1 4.2Å; P189-I227 HydrophobicContact CB-CG1 4.37Å; P189-I227 HydrophobicContact CB-CG2 4.06Å; P189-I227 HydrophobicContact CG-CD1 4.12Å; P189-I227 HydrophobicContact CG-CG1 4.28Å; P189-I227 HydrophobicContact CG-CG2 3.73Å; A207-I227 HydrophobicContact CB-CD1 4.2Å; A207-I227 HydrophobicContact CB-CG1 4.2Å; E211-I227 HydrophobicContact CB-CD1 4.12Å; F225-I227 HydrophobicContact CD1-CB 4.5Å; F225-I227 HydrophobicContact CE1-CB 4Å; F225-I227 HydrophobicContact CE1-CG1 4.32Å; I227-Y230 PolarHBondContact O-N 3.31Å; I227-I231 HydrophobicContact CG1-CD1 4.01Å; I227-I231 WeakPolarHBondContact O-CD1 3.42Å; I227-I231 VanDerWaalsContact O-CG1 3.25Å; I227-I231 WeakPolarHBondContact O-CG1 3.42Å; I227-I231 PolarHBondContact O-N 3.25Å; I227-I231 VanDerWaalsContact O-N 3.07Å
228H82.3Confident70.9Confident75 Ų7593.3 Ų93.335%0.34747%0.468SS..Hα-helixtrans-59.8-50.5174.6-68.478.1000112.5V188 P189 Q226 Y230 I231 E232V188-H228 PolarHBondContact O-NE2 3.07Å; V188-H228 VanDerWaalsContact O-NE2 3.13Å; P189-H228 WeakPolarHBondContact CA-NE2 3.24Å; P189-H228 VanDerWaalsContact CD-CE1 3.5Å; P189-H228 WeakPolarHBondContact CD-CE1 3.37Å; Q226-H228 PolarHBondContact O-N 3.41Å; Q226-H228 VanDerWaalsContact O-N 3.15Å; H228-Y230 VanDerWaalsContact C-N 3.32Å; H228-Y230 PolarHBondContact O-N 3.43Å; H228-I231 PolarHBondContact O-N 3.17Å; H228-E232 WeakPolarHBondContact O-CG 3.13Å; H228-E232 PolarHBondContact O-N 3.23Å
229E82.4Confident70Confident123 Ų12388.9 Ų88.958%0.57546%0.463SS*.Hα-helixtrans-64-39.3-179.6-65.2174.8-164.800111.3Q226 E232 S233Q226-E229 HydrophobicContact CB-CB 4.05Å; Q226-E229 HydrophobicContact CB-CG 3.82Å; Q226-E229 PolarHBondContact O-N 3.02Å; Q226-E229 VanDerWaalsContact O-N 3.07Å; E229-E232 PolarHBondContact O-N 2.92Å; E229-S233 WeakPolarHBondContact O-CB 3.36Å; E229-S233 PolarHBondContact O-N 2.93Å
230Y85.4Confident69.4Low45 Ų4590.3 Ų90.318%0.17648%0.481CS..Hα-helixtrans-59.6-50.2175.2174.4-109.2000111.2L203 A207 F225 Q226 I227 H228 E232 S233 Q234L203-Y230 HydrophobicContact CD1-CE1 3.64Å; A207-Y230 HydrophobicContact CB-CD1 3.82Å; A207-Y230 HydrophobicContact CB-CE1 3.76Å; F225-Y230 HydrophobicContact CE2-CD2 4.28Å; F225-Y230 AromaticContact CE2-CG 3.97Å; F225-Y230 HydrophobicContact CE2-CG 3.97Å; F225-Y230 VanDerWaalsContact CZ-CB 3.45Å; F225-Y230 AromaticContact CZ-CD1 3.92Å; F225-Y230 HydrophobicContact CZ-CD1 3.92Å; F225-Y230 HydrophobicContact CZ-CD2 4.3Å; F225-Y230 AromaticContact CZ-CG 3.63Å; F225-Y230 HydrophobicContact CZ-CG 3.63Å; Q226-Y230 PolarHBondContact O-N 3.26Å; Q226-Y230 VanDerWaalsContact O-N 3.11Å; I227-Y230 PolarHBondContact O-N 3.31Å; H228-Y230 VanDerWaalsContact C-N 3.32Å; H228-Y230 PolarHBondContact O-N 3.43Å; Y230-E232 VanDerWaalsContact C-N 3.33Å; Y230-E232 PolarHBondContact O-N 3.4Å; Y230-S233 PolarHBondContact O-N 3.45Å; Y230-S233 PolarHBondContact O-OG 3.43Å; Y230-Q234 HydrophobicContact CD2-CG 4.45Å; Y230-Q234 HydrophobicContact CE1-CG 4.37Å; Y230-Q234 HydrophobicContact CE2-CG 4.05Å; Y230-Q234 WeakPolarHBondContact O-CG 3.27Å; Y230-Q234 PolarHBondContact O-N 3.38Å
231I85.6Confident68.9Low3 Ų390.1 Ų90.12%0.01548%0.481CS..Hα-helixtrans-60.7-42.8179.5-67.9164.6000111.1M160 P189 A207 I227 H228 Q234 K235M160-I231 HydrophobicContact CE-CD1 3.88Å; P189-I231 HydrophobicContact CB-CD1 3.59Å; A207-I231 HydrophobicContact CB-CG1 4.35Å; I227-I231 HydrophobicContact CG1-CD1 4.01Å; I227-I231 WeakPolarHBondContact O-CD1 3.42Å; I227-I231 VanDerWaalsContact O-CG1 3.25Å; I227-I231 WeakPolarHBondContact O-CG1 3.42Å; I227-I231 PolarHBondContact O-N 3.25Å; I227-I231 VanDerWaalsContact O-N 3.07Å; H228-I231 PolarHBondContact O-N 3.17Å; I231-Q234 PolarHBondContact O-N 3.34Å; I231-K235 WeakPolarHBondContact O-CG 3.45Å; I231-K235 PolarHBondContact O-N 2.79Å
232E83.6Confident68.5Low115 Ų11586.6 Ų86.654%0.53747%0.469SS..Hα-helixtrans-61.5-45.6177.1-72.9178.7173.800111.8H228 E229 Y230 Q234 K235 E236H228-E232 WeakPolarHBondContact O-CG 3.13Å; H228-E232 PolarHBondContact O-N 3.23Å; E229-E232 PolarHBondContact O-N 2.92Å; Y230-E232 VanDerWaalsContact C-N 3.33Å; Y230-E232 PolarHBondContact O-N 3.4Å; E232-Q234 PolarHBondContact O-N 3.43Å; E232-K235 WeakPolarHBondContact O-CB 3.44Å; E232-K235 PolarHBondContact O-N 3.41Å; E232-E236 PolarHBondContact O-N 3.42Å
233S80.8Confident67.6Low38 Ų3891.6 Ų91.627%0.26648%0.484SS..Hα-helixtrans-60.3-31.8177.678.70000113.6E229 Y230 K237E229-S233 WeakPolarHBondContact O-CB 3.36Å; E229-S233 PolarHBondContact O-N 2.93Å; Y230-S233 PolarHBondContact O-N 3.45Å; Y230-S233 PolarHBondContact O-OG 3.43Å; S233-K237 WeakPolarHBondContact O-CG 3.31Å; S233-K237 PolarHBondContact O-N 3.25Å
234Q83.1Confident66.7Low52 Ų52100.4 Ų100.424%0.24351%0.512CS..Hα-helixtrans-77.4-29.9177.8-61-53.7-59.300112.1L203 Y230 I231 E232 S238L203-Q234 HydrophobicContact CD1-CB 4.14Å; L203-Q234 HydrophobicContact CD1-CG 3.75Å; L203-Q234 HydrophobicContact CD2-CB 3.81Å; L203-Q234 HydrophobicContact CD2-CG 4.36Å; Y230-Q234 HydrophobicContact CD2-CG 4.45Å; Y230-Q234 HydrophobicContact CE1-CG 4.37Å; Y230-Q234 HydrophobicContact CE2-CG 4.05Å; Y230-Q234 WeakPolarHBondContact O-CG 3.27Å; Y230-Q234 PolarHBondContact O-N 3.38Å; I231-Q234 PolarHBondContact O-N 3.34Å; E232-Q234 PolarHBondContact O-N 3.43Å; Q234-S238 PolarHBondContact O-N 3.18Å; Q234-S238 PolarHBondContact O-OG 3.22Å
235K74.8Confident66.7Low62 Ų6296.7 Ų96.727%0.2750%0.499SS..Hα-helixtrans-64.1-40.8172.7-69.9172.2-176.8168.90111.2I231 E232 S238 G239I231-K235 WeakPolarHBondContact O-CG 3.45Å; I231-K235 PolarHBondContact O-N 2.79Å; E232-K235 WeakPolarHBondContact O-CB 3.44Å; E232-K235 PolarHBondContact O-N 3.41Å; K235-S238 PolarHBondContact O-OG 2.93Å; K235-G239 PolarHBondContact O-N 3.22Å
236E66.9Low66Low150 Ų150100.2 Ų100.270%0.70152%0.519SS*.Hα-helixtrans-67.9-41.4178.9-66.5-176.6162.700112.6E232 S238 G239E232-E236 PolarHBondContact O-N 3.42Å; E236-S238 VanDerWaalsContact C-N 3.33Å; E236-S238 PolarHBondContact O-N 3.17Å; E236-G239 PolarHBondContact O-N 3.46Å
237K63.5Low65.1Low144 Ų144100.1 Ų100.163%0.62652%0.521SS*.Hα-helixtrans-64.8-35.6178.4-73.1175.8-178.7177.90113.3S233 G239S233-K237 WeakPolarHBondContact O-CG 3.31Å; S233-K237 PolarHBondContact O-N 3.25Å; K237-G239 VanDerWaalsContact C-N 3.33Å
238S55.7Low63.9Low91 Ų91105.3 Ų105.364%0.63655%0.548SS*.Hα-helixtrans-77.9-16.4178.241.90000113.4Q234 K235 E236Q234-S238 PolarHBondContact O-N 3.18Å; Q234-S238 PolarHBondContact O-OG 3.22Å; K235-S238 PolarHBondContact O-OG 2.93Å; E236-S238 VanDerWaalsContact C-N 3.33Å; E236-S238 PolarHBondContact O-N 3.17Å
239G44.9Very low62.8Low57 Ų57107.2 Ų107.259%0.58856%0.561SS**THydrogen-bonded Turntrans-82.6-11.2174.300000115.5K235 E236 K237K235-G239 PolarHBondContact O-N 3.22Å; E236-G239 PolarHBondContact O-N 3.46Å; K237-G239 VanDerWaalsContact C-N 3.33Å
240C40.5Very low61.5Low110 Ų110106.1 Ų106.174%0.74356%0.56SS**  trans-97.17.5-168.4-140.50000115.4
241C39.9Very low59.8Low123 Ų123110.5 Ų110.583%0.83159%0.588SS**  trans-100.670.7173.5-77.10000111.3
242S43.2Very low57.8Low88 Ų88118.8 Ų118.862%0.61563%0.632SS**  trans-157.450.4165.755.30000113.6
243Y38.1Very low55.6Low217 Ų217119.1 Ų119.185%0.85164%0.639SS**  trans-157.997.8155.6-87.7-72.2000108.7
244F36.3Very low53.4Low297 Ų297126.5 Ų126.5100%1.30367%0.673SS**  trans-162.30137-87.5-65.8000108.4

Retrieved 244 of 244 residues in 553.3 ms (Link to these results)