A0A3B3TL17_9TELE Loading...

Forkhead box F1

AlphaFold DB , UniProt , Accession A0A3B3TL17, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 380 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.5Very low49.8Very low247 Ų247150.9 Ų150.9100%1.21785%0.854SS**  0108.70-71.4172.7175.100107.2
2T44.2Very low49.5Very low143 Ų143148.6 Ų148.688%0.87785%0.849SS**  trans-141.4124-174.1320000106.5E4T2-E4 PolarHBondContact O-N 3.41Å
3A50.7Low49.3Very low103 Ų103147.2 Ų147.285%0.85185%0.849SS**  trans-82.9117.4-171.100000111.2
4E46Very low48.8Very low170 Ų170144 Ų14479%0.79485%0.849SS**  trans-82.5129170.4-173.6170.48800109.2T2T2-E4 PolarHBondContact O-N 3.41Å
5V55.2Low48Very low138 Ų138147.8 Ų147.884%0.83686%0.855SS**  trans-107.299.2-179.5178.60000109.1
6Q53.1Low47.6Very low154 Ų154146.2 Ų146.272%0.7286%0.855SS**PPolyproline II helixtrans-75.5137.4-174.3-162.469-5.300112.7
7Q47.2Very low47.4Very low176 Ų176144.3 Ų144.382%0.82285%0.851SS**PPolyproline II helixtrans-92.8130.7176.7-172.5176.821.500111.7
8P61.9Low47.6Very low112 Ų112143.6 Ų143.673%0.72785%0.851SS**PPolyproline II helixtrans-85.1157.7174.233.3-33.9000113.3
9P51.9Low47.1Very low130 Ų130145.4 Ų145.484%0.84485%0.853SS**PPolyproline II helixtrans-91.9172.2-167.937.1-37.8000115.4
10A40.8Very low46.6Very low100 Ų100144.5 Ų144.583%0.82685%0.854SS**PPolyproline II helixtrans-89.1160.7-175.800000115
11Q50.3Low46.5Very low187 Ų187142 Ų14287%0.87485%0.85SS**  trans-136.1150.1168.7-69.8-172.9-15.200111.3
12P46.5Very low46.5Very low123 Ų123136.3 Ų136.380%0.79983%0.832SS**  trans-102.8-167.6-176.847.8-40.5000110.7
13P47.2Very low46.1Very low130 Ų130138.9 Ų138.984%0.84483%0.834SS**  -111.4163.9-127.434-15.7000116
14A41.1Very low45.6Very low103 Ų103143 Ų14385%0.85183%0.833SS**  trans-117.1143.6171.300000111.6
15Q37.7Very low45.6Very low201 Ų201140.7 Ų140.794%0.93983%0.832SS**  trans-106.5147.7175.3-66-179.9-11.100110.9
16S41.8Very low44.9Very low122 Ų122143.3 Ų143.385%0.85384%0.835SS**  trans-149.4150.1162.854.60000110.8
17S44.4Very low43.9Very low114 Ų114139.5 Ų139.580%0.79784%0.837SS**  trans-94.4174.2-173.7-48.20000112.7
18P50.1Low43.3Very low131 Ų131139.6 Ų139.685%0.85184%0.837SS**  -136.7166.4110.237.6-28.1000114.8
19M38.3Very low41.9Very low178 Ų178140.2 Ų140.288%0.87784%0.839SS**  trans-80153.7179.5-61.8123.758.600113.5
20S37.2Very low41Very low127 Ų127140.3 Ų140.389%0.88884%0.837SS**  -173.2152.8116.2-79.50000111.6
21A45.2Very low41.2Very low93 Ų93142.1 Ų142.177%0.76984%0.838SS**  trans-131.4168.9177.800000110.7
22P46.6Very low40.6Very low128 Ų128142.6 Ų142.683%0.83184%0.843SS**  trans-127.7170.1145.635.3-23.7000113.1
23E35.2Very low40.4Very low197 Ų197145.2 Ų145.292%0.92184%0.844SS**  trans-97.9-178.6-157.5-62.1172.490.900115.9
24K40.7Very low39.7Very low190 Ų190144.7 Ų144.783%0.82684%0.839SS**  trans-115.6148.4169.7-59.3174.3-178.4173.10110.8
25P46.2Very low39.5Very low121 Ų121144.1 Ų144.179%0.78683%0.834SS**  trans-94.916815635.3-30.7000112.7
26H39.5Very low39.7Very low193 Ų193140.2 Ų140.289%0.89483%0.829SS**  trans-152.9152.8174.8-116.355.1000112.5
27G32.9Very low39.5Very low74 Ų74139.3 Ų139.376%0.76382%0.822SS**  trans120.9148.7173.600000113.8
28Q34.2Very low39.5Very low177 Ų177140.4 Ų140.483%0.82783%0.825SS**  cis-162.1153.1-13.6-152.6-17325.800110
29T32.5Very low39Very low125 Ų125139.7 Ų139.777%0.76782%0.818SS**  trans62.3164.2173.470.80000115.6
30V33.8Very low39.4Very low132 Ų132140.8 Ų140.880%0.882%0.818SS**  cis-128.7158.65.1-166.50000109.3
31V43.4Very low39.6Very low139 Ų139140.9 Ų140.984%0.84281%0.813SS**  trans-86.2137172-72.90000112.6
32M39.1Very low39.7Very low197 Ų197145.5 Ų145.597%0.9782%0.816SS**  trans-154.3149.6148.7-139.3166.7-170.800110.7
33E41.5Very low39.6Very low177 Ų177149 Ų14983%0.82782%0.818SS**  trans-94.6160.5-171.5-161.8-170.8112.200112.1
34T32.3Very low40.3Very low120 Ų120145.2 Ų145.274%0.73681%0.809SS**  trans151.4146.1130.9-67.60000113.2
35A38.1Very low40.7Very low90 Ų90142.5 Ų142.574%0.74480%0.803SS**  trans62.899.4163.600000119
36S41.8Very low40.8Very low120 Ų120140.5 Ų140.584%0.83980%0.797SS**  trans-66137154.451.80000111.6
37S35.8Very low41.4Very low102 Ų102133.6 Ų133.671%0.71378%0.777SS**  trans-139.7107.4160.263.50000110.9T39S37-T39 VanDerWaalsContact C-N 3.34Å; S37-T39 PolarHBondContact O-N 3.17Å
38T46.1Very low42.7Very low138 Ų138137.6 Ų137.685%0.84778%0.78SS**  trans-78.478.5-174.753.40000111.9K40T38-K40 PolarHBondContact O-N 2.93Å
39T39.7Very low44.1Very low116 Ų116139 Ų13971%0.71278%0.777SS**  trans-71.2116.2164.153.30000108.9S37 T41S37-T39 VanDerWaalsContact C-N 3.34Å; S37-T39 PolarHBondContact O-N 3.17Å; T39-T41 VanDerWaalsContact C-N 3.34Å; T39-T41 PolarHBondContact O-N 2.88Å
40K45.7Very low45.8Very low200 Ų200143.9 Ų143.987%0.8778%0.782SS**  trans-71.188.9179.2-71.9177.9179.2173.50109.5T38 K42T38-K40 PolarHBondContact O-N 2.93Å; K40-K42 PolarHBondContact O-N 3.09Å
41T40.8Very low48Very low130 Ų130140.8 Ų140.880%0.79876%0.764SS**  trans-59.197.4174.7-32.80000108.8T39 K43T39-T41 VanDerWaalsContact C-N 3.34Å; T39-T41 PolarHBondContact O-N 2.88Å; T41-K43 VanDerWaalsContact C-N 3.26Å; T41-K43 PolarHBondContact O-N 3.01Å
42K48.1Very low50Low189 Ų189142.7 Ų142.782%0.82276%0.764SS**  trans-66.786-176.1-175.2178.4-175.1174.20108.6K40 T44K40-K42 PolarHBondContact O-N 3.09Å; K42-T44 PolarHBondContact O-N 3.46Å
43K45.2Very low52.4Low202 Ų202139.1 Ų139.188%0.87874%0.743SS**  trans-46.896.8-172.8-168.5173.2-174174.90109.5T41 N45T41-K43 VanDerWaalsContact C-N 3.26Å; T41-K43 PolarHBondContact O-N 3.01Å; K43-N45 PolarHBondContact O-N 2.69Å
44T49.5Very low54.8Low118 Ų118131.4 Ų131.472%0.72471%0.709SS**  trans-69105.7-174.532.40000106.8K42 A46K42-T44 PolarHBondContact O-N 3.46Å; T44-A46 PolarHBondContact O-N 3.4Å
45N48.4Very low57.6Low133 Ų133130.6 Ų130.671%0.71171%0.705SS**  trans-69.783.2171.7-166.9-8.5000108.3K43 G47K43-N45 PolarHBondContact O-N 2.69Å; N45-G47 PolarHBondContact OD1-N 3.25Å
46A48.7Very low60.2Low79 Ų79130 Ų13065%0.65368%0.684SS**  trans-86.715173.200000111.3T44 I48T44-A46 PolarHBondContact O-N 3.4Å; A46-I48 PolarHBondContact O-N 3.46Å
47G51.2Low62.7Low47 Ų47125.9 Ų125.949%0.48566%0.656SS.*SBendtrans-58.3102.2169.400000110.2N45 R49N45-G47 PolarHBondContact OD1-N 3.25Å; G47-R49 PolarHBondContact O-N 2.9Å
48I60.6Low65.6Low158 Ų158123.3 Ų123.381%0.8163%0.631SS**  trans33.168171.4-50.478.3000112.2A46 R50A46-I48 PolarHBondContact O-N 3.46Å; I48-R50 PolarHBondContact O-N 3.48Å
49R64.6Low68Low206 Ų206118.5 Ų118.578%0.77760%0.599SS**  trans-58.7114167.9-75.1-164.6176.9-166.70.7108G47G47-R49 PolarHBondContact O-N 2.9Å
50R68.2Low70.7Confident229 Ų229113.1 Ų113.186%0.86457%0.566SS**PPolyproline II helixtrans-52.9127177.5-65-174.6-17896.8-1.3107.8I48 E52I48-R50 PolarHBondContact O-N 3.48Å; R50-E52 PolarHBondContact O-N 3.17Å
51P80.3Confident73.1Confident66 Ų66103.8 Ų103.843%0.42953%0.526SS..PPolyproline II helixtrans-54.8133.9-17719.5-32000110.4P88 F89P51-P88 HydrophobicContact CB-CB 3.85Å; P51-P88 HydrophobicContact CG-CB 4.33Å; P51-F89 WeakPolarHBondContact O-CD2 3.09Å
52E85.5Confident75.8Confident179 Ų17997.6 Ų97.684%0.83649%0.488SS*.PPolyproline II helixtrans-68.2145-172.5-166.1173.6161.300111.5R50 P54R50-E52 PolarHBondContact O-N 3.17Å; E52-P54 WeakPolarHBondContact O-CD 3.41Å
53K88.6Confident78.2Confident122 Ų12288.6 Ų88.653%0.5345%0.449SS..PPolyproline II helixtrans-68.5123.9178.5-177.5176.7178.9177.40109.7F89K53-F89 HydrophobicContact CB-CD2 4.07Å; K53-F89 HydrophobicContact CB-CE1 4.48Å; K53-F89 HydrophobicContact CB-CE2 3.83Å; K53-F89 HydrophobicContact CB-CG 4.5Å; K53-F89 HydrophobicContact CB-CZ 4.06Å; K53-F89 HydrophobicContact CD-CE1 4.5Å; K53-F89 HydrophobicContact CD-CZ 4.14Å; K53-F89 HydrophobicContact CG-CD1 4.4Å; K53-F89 HydrophobicContact CG-CE1 4Å; K53-F89 HydrophobicContact CG-CE2 4.2Å; K53-F89 HydrophobicContact CG-CZ 3.9Å
54P90.8Very high80.6Confident16 Ų1680.5 Ų80.510%0.10442%0.415CS..PPolyproline II helixtrans-56.9143.2-178.7-26.234.3000112.8E52 Y56 L61 F87 F90E52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-Y56 HydrophobicContact CB-CD2 3.72Å; P54-Y56 HydrophobicContact CB-CE2 4.33Å; P54-Y56 PolarHBondContact O-N 3.14Å; P54-L61 HydrophobicContact CB-CD2 4.47Å; P54-F87 HydrophobicContact CB-CD1 3.95Å; P54-F87 HydrophobicContact CB-CE1 4.13Å; P54-F87 HydrophobicContact CB-CG 4.46Å; P54-F87 HydrophobicContact CG-CB 3.8Å; P54-F87 HydrophobicContact CG-CD1 3.53Å; P54-F87 HydrophobicContact CG-CE1 4.21Å; P54-F87 HydrophobicContact CG-CG 3.7Å; P54-F90 HydrophobicContact CG-CE2 4.34Å
55P91.1Very high82.9Confident103 Ų10374.9 Ų74.967%0.66938%0.38SS*.SBendtrans-75.631-173.532.3-37.8000114.5
56Y93.4Very high85.2Confident76 Ų7668.6 Ų68.630%0.29835%0.347SS..BIsolated β-bridgetrans-115.6156.5-172.5-57.5-66.8000111.4P54 L61 M64 F87 F142P54-Y56 HydrophobicContact CB-CD2 3.72Å; P54-Y56 HydrophobicContact CB-CE2 4.33Å; P54-Y56 PolarHBondContact O-N 3.14Å; Y56-L61 HydrophobicContact CD2-CD2 4.19Å; Y56-L61 HydrophobicContact CG-CD2 4.49Å; Y56-M64 HydrophobicContact CD1-CE 4.1Å; Y56-M64 HydrophobicContact CD2-CE 3.86Å; Y56-M64 HydrophobicContact CE1-CE 4.4Å; Y56-M64 HydrophobicContact CE2-CE 4.18Å; Y56-M64 HydrophobicContact CG-CE 3.83Å; Y56-F87 HydrophobicContact CD2-CE1 4.31Å; Y56-F87 HydrophobicContact CD2-CZ 4.32Å; Y56-F87 HydrophobicContact CE2-CE1 4.07Å; Y56-F87 HydrophobicContact CE2-CZ 4.29Å; Y56-F142 HydrophobicContact CD1-CB 3.85Å; Y56-F142 HydrophobicContact CE1-CB 3.83Å
57S95Very high87.4Confident34 Ų3466.9 Ų66.924%0.23833%0.325CS..  trans-77.5160.1166.660.50000110.6I59 A60 L61S57-I59 PolarHBondContact O-N 3.11Å; S57-A60 PolarHBondContact O-N 3.38Å; S57-A60 VanDerWaalsContact O-N 3.16Å; S57-A60 WeakPolarHBondContact OG-CB 3.36Å; S57-A60 PolarHBondContact OG-N 3.24Å; S57-L61 WeakPolarHBondContact O-CB 3.49Å; S57-L61 VanDerWaalsContact O-CG 3.3Å; S57-L61 WeakPolarHBondContact O-CG 3.36Å; S57-L61 PolarHBondContact O-N 3.15Å
58Y96.9Very high89.5Confident49 Ų4968 Ų6819%0.19233%0.325CS..Hα-helixtrans-58.8-33.7170.9-72.1-63.7000112.2L61 I62 F90 W97 S100 V101Y58-L61 HydrophobicContact CD1-CD1 4.08Å; Y58-L61 PolarHBondContact O-N 2.96Å; Y58-I62 WeakPolarHBondContact O-CB 3.33Å; Y58-I62 WeakPolarHBondContact O-CD1 3.45Å; Y58-I62 WeakPolarHBondContact O-CG1 3.34Å; Y58-I62 PolarHBondContact O-N 3.02Å; Y58-F90 HydrophobicContact CE1-CE1 4.32Å; Y58-W97 HydrophobicContact CE1-CB 4.42Å; Y58-S100 PolarHBondContact OH-OG 3.24Å; Y58-V101 HydrophobicContact CD1-CG2 4.21Å
59I96.2Very high91.2Very high37 Ų3761 Ų6119%0.1929%0.29CS..Hα-helixtrans-57.3-56.4171.3-53.2171.5000110.3S57 L61 I62 V63 N108 F111 F137S57-I59 PolarHBondContact O-N 3.11Å; I59-L61 VanDerWaalsContact C-N 3.29Å; I59-L61 PolarHBondContact O-N 3.25Å; I59-I62 PolarHBondContact O-N 2.78Å; I59-I62 VanDerWaalsContact O-N 3.16Å; I59-V63 HydrophobicContact CG2-CG2 4.43Å; I59-V63 WeakPolarHBondContact O-CG2 3.23Å; I59-V63 PolarHBondContact O-N 3.24Å; I59-N108 VanDerWaalsContact CD1-OD1 3.24Å; I59-N108 WeakPolarHBondContact CD1-OD1 3.49Å; I59-F111 HydrophobicContact CB-CE2 4.39Å; I59-F111 HydrophobicContact CB-CZ 4.38Å; I59-F111 HydrophobicContact CG1-CE2 4.49Å; I59-F111 HydrophobicContact CG2-CE2 3.98Å; I59-F111 HydrophobicContact CG2-CZ 3.77Å; I59-F137 HydrophobicContact CG2-CE1 4.01Å; I59-F137 HydrophobicContact CG2-CZ 3.79Å
60A95.6Very high92.7Very high2 Ų257.5 Ų57.52%0.01729%0.294CS..Hα-helixtrans-61.5-36179.800000112.8S57 V63 M64 F142S57-A60 PolarHBondContact O-N 3.38Å; S57-A60 VanDerWaalsContact O-N 3.16Å; S57-A60 WeakPolarHBondContact OG-CB 3.36Å; S57-A60 PolarHBondContact OG-N 3.24Å; A60-V63 PolarHBondContact O-N 3.29Å; A60-M64 WeakPolarHBondContact O-CB 3.38Å; A60-M64 WeakPolarHBondContact O-CE 3.5Å; A60-M64 WeakPolarHBondContact O-CG 3.39Å; A60-M64 PolarHBondContact O-N 2.83Å; A60-F142 HydrophobicContact CB-CB 4.22Å; A60-F142 HydrophobicContact CB-CD1 4.3Å; A60-F142 WeakPolarHBondContact CB-O 3.13Å
61L96.8Very high94Very high4 Ų450.6 Ų50.62%0.02128%0.278CS..Hα-helixtrans-64.2-41.3175.1-72.9168.4000112.7P54 Y56 S57 Y58 I59 M64 A65 L83 F87 F90P54-L61 HydrophobicContact CB-CD2 4.47Å; Y56-L61 HydrophobicContact CD2-CD2 4.19Å; Y56-L61 HydrophobicContact CG-CD2 4.49Å; S57-L61 WeakPolarHBondContact O-CB 3.49Å; S57-L61 VanDerWaalsContact O-CG 3.3Å; S57-L61 WeakPolarHBondContact O-CG 3.36Å; S57-L61 PolarHBondContact O-N 3.15Å; Y58-L61 HydrophobicContact CD1-CD1 4.08Å; Y58-L61 PolarHBondContact O-N 2.96Å; I59-L61 VanDerWaalsContact C-N 3.29Å; I59-L61 PolarHBondContact O-N 3.25Å; L61-M64 HydrophobicContact CD2-CE 3.97Å; L61-A65 PolarHBondContact O-N 3.04Å; L61-L83 HydrophobicContact CB-CD2 3.8Å; L61-L83 HydrophobicContact CD2-CD2 4.03Å; L61-L83 HydrophobicContact CG-CD2 4.43Å; L61-F87 HydrophobicContact CD2-CD2 4Å; L61-F87 HydrophobicContact CD2-CE2 3.47Å; L61-F87 VanDerWaalsContact CD2-CE2 3.47Å; L61-F87 HydrophobicContact CD2-CZ 3.84Å; L61-F90 HydrophobicContact CD1-CE2 4.22Å; L61-F90 HydrophobicContact CD1-CZ 3.75Å; L61-F90 HydrophobicContact CD2-CE2 4.35Å
62I97.9Very high94.8Very high0 Ų052.2 Ų52.20%028%0.278CS..Hα-helixtrans-69.9-43.7175.6-67159.8000110.5Y58 I59 M64 A65 I66 I79 V101 N104 L105 F111Y58-I62 WeakPolarHBondContact O-CB 3.33Å; Y58-I62 WeakPolarHBondContact O-CD1 3.45Å; Y58-I62 WeakPolarHBondContact O-CG1 3.34Å; Y58-I62 PolarHBondContact O-N 3.02Å; I59-I62 PolarHBondContact O-N 2.78Å; I59-I62 VanDerWaalsContact O-N 3.16Å; I62-M64 PolarHBondContact O-N 3.22Å; I62-A65 WeakPolarHBondContact O-CB 3.4Å; I62-A65 PolarHBondContact O-N 3Å; I62-A65 VanDerWaalsContact O-N 3.13Å; I62-I66 HydrophobicContact CG2-CD1 3.75Å; I62-I66 HydrophobicContact CG2-CG1 4.36Å; I62-I66 WeakPolarHBondContact O-CG1 3.41Å; I62-I66 PolarHBondContact O-N 3.34Å; I62-I79 HydrophobicContact CG1-CG2 4.27Å; I62-I79 HydrophobicContact CG2-CD1 4.33Å; I62-V101 HydrophobicContact CD1-CG1 4.26Å; I62-V101 HydrophobicContact CG1-CG1 4.29Å; I62-N104 HydrophobicContact CD1-CB 3.92Å; I62-L105 HydrophobicContact CD1-CD2 4.18Å; I62-L105 HydrophobicContact CD1-CG 4.04Å; I62-L105 HydrophobicContact CG2-CD2 3.71Å; I62-F111 HydrophobicContact CB-CE1 3.99Å; I62-F111 HydrophobicContact CB-CE2 4.27Å; I62-F111 HydrophobicContact CB-CZ 3.64Å; I62-F111 HydrophobicContact CD1-CE2 4.05Å; I62-F111 HydrophobicContact CD1-CZ 4.29Å; I62-F111 HydrophobicContact CG2-CD1 3.87Å; I62-F111 HydrophobicContact CG2-CE1 3.37Å; I62-F111 HydrophobicContact CG2-CE2 4.13Å; I62-F111 HydrophobicContact CG2-CG 4.44Å; I62-F111 HydrophobicContact CG2-CZ 3.51Å
63V96.7Very high95.3Very high0 Ų048.7 Ų48.70%026%0.257CS..Hα-helixtrans-57.5-49.8176.6167.90000111I59 A60 A65 I66 Q67 F111 I129 F137 F142I59-V63 HydrophobicContact CG2-CG2 4.43Å; I59-V63 WeakPolarHBondContact O-CG2 3.23Å; I59-V63 PolarHBondContact O-N 3.24Å; A60-V63 PolarHBondContact O-N 3.29Å; V63-A65 PolarHBondContact O-N 2.9Å; V63-I66 PolarHBondContact O-N 3.16Å; V63-I66 VanDerWaalsContact O-N 3.15Å; V63-Q67 HydrophobicContact CG1-CG 4.03Å; V63-Q67 WeakPolarHBondContact O-CB 3.38Å; V63-Q67 WeakPolarHBondContact O-CG 3.06Å; V63-Q67 PolarHBondContact O-N 3.36Å; V63-F111 HydrophobicContact CG2-CE1 3.75Å; V63-F111 HydrophobicContact CG2-CZ 3.93Å; V63-I129 HydrophobicContact CB-CD1 4.35Å; V63-I129 HydrophobicContact CG1-CD1 3.87Å; V63-I129 HydrophobicContact CG2-CD1 4.3Å; V63-I129 HydrophobicContact CG2-CG1 4.28Å; V63-F137 HydrophobicContact CB-CD1 4.41Å; V63-F137 HydrophobicContact CB-CG 4.42Å; V63-F137 HydrophobicContact CG1-CB 3.7Å; V63-F137 HydrophobicContact CG1-CD1 4.09Å; V63-F137 HydrophobicContact CG1-CD2 4.18Å; V63-F137 HydrophobicContact CG1-CG 3.72Å; V63-F137 HydrophobicContact CG2-CD1 4.04Å; V63-F137 HydrophobicContact CG2-CD2 3.99Å; V63-F137 HydrophobicContact CG2-CE1 3.98Å; V63-F137 HydrophobicContact CG2-CE2 3.93Å; V63-F137 HydrophobicContact CG2-CG 4.04Å; V63-F137 HydrophobicContact CG2-CZ 3.93Å; V63-F142 HydrophobicContact CG1-CE1 3.97Å
64M96.4Very high95.8Very high33 Ų3343.7 Ų43.716%0.16324%0.236CC..Hα-helixtrans-58.4-35.2176.7-75.1-175.1-70.100112.4Y56 A60 L61 I62 S68 F82 F87 F142Y56-M64 HydrophobicContact CD1-CE 4.1Å; Y56-M64 HydrophobicContact CD2-CE 3.86Å; Y56-M64 HydrophobicContact CE1-CE 4.4Å; Y56-M64 HydrophobicContact CE2-CE 4.18Å; Y56-M64 HydrophobicContact CG-CE 3.83Å; A60-M64 WeakPolarHBondContact O-CB 3.38Å; A60-M64 WeakPolarHBondContact O-CE 3.5Å; A60-M64 WeakPolarHBondContact O-CG 3.39Å; A60-M64 PolarHBondContact O-N 2.83Å; L61-M64 HydrophobicContact CD2-CE 3.97Å; I62-M64 PolarHBondContact O-N 3.22Å; M64-S68 WeakPolarHBondContact O-CB 3.31Å; M64-S68 PolarHBondContact O-N 2.71Å; M64-S68 PolarHBondContact O-OG 3.2Å; M64-F82 HydrophobicContact CB-CE1 4.31Å; M64-F82 HydrophobicContact CB-CZ 4.46Å; M64-F87 HydrophobicContact CE-CZ 4.03Å; M64-F142 HydrophobicContact CG-CD1 3.86Å; M64-F142 HydrophobicContact CG-CE1 3.83Å; M64-F142 HydrophobicContact CG-CG 4.35Å; M64-F142 HydrophobicContact CG-CZ 4.29Å; M64-F142 HydrophobicContact SD-CD1 4.42Å; M64-F142 HydrophobicContact SD-CG 4.37Å
65A97.7Very high96.1Very high0 Ų043.6 Ų43.60%024%0.235CC..Hα-helixtrans-65.1-52.8173.900000111.2L61 I62 V63 S68 S69 L74 F82L61-A65 PolarHBondContact O-N 3.04Å; I62-A65 WeakPolarHBondContact O-CB 3.4Å; I62-A65 PolarHBondContact O-N 3Å; I62-A65 VanDerWaalsContact O-N 3.13Å; V63-A65 PolarHBondContact O-N 2.9Å; A65-S68 PolarHBondContact O-N 3.01Å; A65-S68 PolarHBondContact O-OG 3.07Å; A65-S69 PolarHBondContact O-N 3.1Å; A65-L74 HydrophobicContact CB-CD1 3.88Å; A65-L74 WeakPolarHBondContact O-CD1 3.4Å; A65-F82 VanDerWaalsContact CA-CD1 3.5Å; A65-F82 HydrophobicContact CB-CB 4.03Å; A65-F82 HydrophobicContact CB-CD1 3.32Å; A65-F82 HydrophobicContact CB-CD2 4.46Å; A65-F82 HydrophobicContact CB-CE1 3.84Å; A65-F82 HydrophobicContact CB-CG 3.68Å
66I97.1Very high96.4Very high1 Ų140.9 Ų40.91%0.00522%0.215CC..Hα-helixtrans-62.8-46.3-177.3-66.1174.1000111.2I62 V63 S68 S69 K72 F111 W127 I129I62-I66 HydrophobicContact CG2-CD1 3.75Å; I62-I66 HydrophobicContact CG2-CG1 4.36Å; I62-I66 WeakPolarHBondContact O-CG1 3.41Å; I62-I66 PolarHBondContact O-N 3.34Å; V63-I66 PolarHBondContact O-N 3.16Å; V63-I66 VanDerWaalsContact O-N 3.15Å; I66-S68 PolarHBondContact O-N 2.82Å; I66-S69 PolarHBondContact O-N 3.31Å; I66-S69 VanDerWaalsContact O-N 3.11Å; I66-S69 PolarHBondContact O-OG 2.81Å; I66-K72 WeakPolarHBondContact CG2-O 3.48Å; I66-F111 HydrophobicContact CD1-CD1 4.06Å; I66-F111 HydrophobicContact CD1-CE1 4.25Å; I66-W127 HydrophobicContact CD1-CB 4.49Å; I66-I129 HydrophobicContact CB-CD1 4.17Å; I66-I129 HydrophobicContact CB-CG1 4.29Å; I66-I129 HydrophobicContact CD1-CG1 4.33Å; I66-I129 HydrophobicContact CG2-CD1 3.95Å; I66-I129 HydrophobicContact CG2-CG1 3.97Å
67Q95.4Very high96.6Very high43 Ų4340.3 Ų40.320%0.20122%0.222CC..Hα-helixtrans-61.9-29.3178.3-75-179.8-31.700113.3V63 S69 K72 I129V63-Q67 HydrophobicContact CG1-CG 4.03Å; V63-Q67 WeakPolarHBondContact O-CB 3.38Å; V63-Q67 WeakPolarHBondContact O-CG 3.06Å; V63-Q67 PolarHBondContact O-N 3.36Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-K72 PolarHBondContact O-NZ 3.47Å; Q67-I129 HydrophobicContact CG-CD1 3.69Å
68S95.7Very high96.7Very high69 Ų6942.3 Ų42.348%0.48323%0.227SC..Hα-helixtrans-75.8-17.6177.277.40000114.1M64 A65 I66 F82M64-S68 WeakPolarHBondContact O-CB 3.31Å; M64-S68 PolarHBondContact O-N 2.71Å; M64-S68 PolarHBondContact O-OG 3.2Å; A65-S68 PolarHBondContact O-N 3.01Å; A65-S68 PolarHBondContact O-OG 3.07Å; I66-S68 PolarHBondContact O-N 2.82Å; S68-F82 WeakPolarHBondContact OG-CD2 3.35Å; S68-F82 WeakPolarHBondContact OG-CE2 3.42Å
69S96.2Very high96.7Very high11 Ų1140 Ų408%0.07722%0.218CC..SBendtrans-80.2137176.181.30000110.6A65 I66 Q67 T71 K72 R73A65-S69 PolarHBondContact O-N 3.1Å; I66-S69 PolarHBondContact O-N 3.31Å; I66-S69 VanDerWaalsContact O-N 3.11Å; I66-S69 PolarHBondContact O-OG 2.81Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; S69-T71 PolarHBondContact O-N 3.4Å; S69-K72 PolarHBondContact O-N 3.35Å; S69-K72 VanDerWaalsContact O-N 3.09Å; S69-K72 WeakPolarHBondContact OG-CA 3.3Å; S69-K72 PolarHBondContact OG-N 3.01Å; S69-R73 PolarHBondContact OG-N 2.89Å; S69-R73 VanDerWaalsContact OG-N 3.14Å; S69-R73 PolarHBondContact OG-O 3.04Å
70P96.1Very high96.8Very high133 Ų13339.8 Ų39.886%0.86422%0.215SC*.THydrogen-bonded Turntrans-67.8-16.2179.627.9-35.3000112.9
71T95.7Very high96.9Very high85 Ų8544.9 Ų44.952%0.52124%0.239SC..THydrogen-bonded Turntrans-96.63.9176.766.30000113.5S69 R73S69-T71 PolarHBondContact O-N 3.4Å; T71-R73 PolarHBondContact O-N 2.83Å; T71-R73 WeakPolarHBondContact OG1-CG 3.27Å; T71-R73 PolarHBondContact OG1-O 3.44Å
72K96.7Very high97Very high100 Ų10046.7 Ų46.744%0.43525%0.247SC..SBendtrans49.425.8-175.9-60.5-65.6-175.71770114.7I66 Q67 S69 T128I66-K72 WeakPolarHBondContact CG2-O 3.48Å; Q67-K72 PolarHBondContact O-NZ 3.47Å; S69-K72 PolarHBondContact O-N 3.35Å; S69-K72 VanDerWaalsContact O-N 3.09Å; S69-K72 WeakPolarHBondContact OG-CA 3.3Å; S69-K72 PolarHBondContact OG-N 3.01Å; K72-T128 PolarHBondContact O-OG1 2.84Å; K72-T128 VanDerWaalsContact O-OG1 3.04Å
73R96.4Very high97Very high105 Ų10546.7 Ų46.740%0.39625%0.247SC..EExtended strand (participates in β ladder)trans-147.3147.3176.566.7-171174.5-169.1-4.9110.4S69 T71 Y126 W127S69-R73 PolarHBondContact OG-N 2.89Å; S69-R73 VanDerWaalsContact OG-N 3.14Å; S69-R73 PolarHBondContact OG-O 3.04Å; T71-R73 PolarHBondContact O-N 2.83Å; T71-R73 WeakPolarHBondContact OG1-CG 3.27Å; T71-R73 PolarHBondContact OG1-O 3.44Å; R73-Y126 HydrophobicContact CG-CD1 4.26Å; R73-Y126 HydrophobicContact CG-CG 4.4Å; R73-W127 CarbonylContact C-O 3.56Å; R73-W127 VanDerWaalsContact CA-O 3.23Å; R73-W127 WeakPolarHBondContact CA-O 3.35Å
74L97.3Very high97Very high17 Ų1749.3 Ų49.39%0.08926%0.259CS..EExtended strand (participates in β ladder)trans-141.2151177.2-71.4-178000111.2A65 E78 I79 W127A65-L74 HydrophobicContact CB-CD1 3.88Å; A65-L74 WeakPolarHBondContact O-CD1 3.4Å; L74-E78 HydrophobicContact CB-CB 4.24Å; L74-E78 HydrophobicContact CD1-CB 4.44Å; L74-E78 HydrophobicContact CD2-CB 3.83Å; L74-E78 HydrophobicContact CD2-CG 4.5Å; L74-E78 HydrophobicContact CG-CB 4.41Å; L74-I79 HydrophobicContact CB-CD1 4.35Å; L74-I79 HydrophobicContact CB-CG1 3.81Å; L74-I79 HydrophobicContact CD1-CG1 4.07Å; L74-W127 PolarHBondContact N-O 2.74Å; L74-W127 PolarHBondContact O-N 2.97Å
75T97.3Very high97Very high14 Ų1451.2 Ų51.29%0.08628%0.276CS..EExtended strand (participates in β ladder)trans-76.8162.416471.30000111.1S77 E78 I79 H125 Y126T75-S77 PolarHBondContact O-N 3.27Å; T75-S77 VanDerWaalsContact O-N 3.12Å; T75-S77 PolarHBondContact OG1-N 3.2Å; T75-E78 WeakPolarHBondContact CA-OE2 3.28Å; T75-E78 WeakPolarHBondContact CB-OE2 3.41Å; T75-E78 VanDerWaalsContact CG2-OE2 3.28Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.16Å; T75-E78 PolarHBondContact N-OE2 2.74Å; T75-E78 PolarHBondContact O-N 3.11Å; T75-E78 VanDerWaalsContact O-N 3.12Å; T75-E78 PolarHBondContact OG1-N 3.05Å; T75-E78 PolarHBondContact OG1-OE2 2.58Å; T75-I79 WeakPolarHBondContact O-CG1 3.48Å; T75-I79 PolarHBondContact O-N 3.39Å; T75-H125 WeakPolarHBondContact CA-O 3.43Å; T75-Y126 HydrophobicContact CG2-CD1 3.68Å; T75-Y126 HydrophobicContact CG2-CE1 3.69Å
76L97.4Very high96.9Very high46 Ų4659.7 Ų59.724%0.24131%0.308CS..Hα-helixtrans-53.2-31.4173-178.963.8000113.4Y80 V101 R102 L105L76-Y80 HydrophobicContact CD1-CD1 4.37Å; L76-Y80 HydrophobicContact CD1-CE1 3.61Å; L76-Y80 HydrophobicContact CD1-CE2 4.38Å; L76-Y80 HydrophobicContact CD2-CE2 4.44Å; L76-Y80 HydrophobicContact CG-CE1 4.1Å; L76-Y80 HydrophobicContact CG-CE2 3.95Å; L76-Y80 WeakPolarHBondContact O-CD2 3.45Å; L76-Y80 VanDerWaalsContact O-CG 3.26Å; L76-Y80 PolarHBondContact O-N 3.41Å; L76-V101 HydrophobicContact CD1-CG1 4.08Å; L76-R102 HydrophobicContact CD1-CG 3.93Å; L76-R102 HydrophobicContact CD2-CG 3.81Å; L76-L105 HydrophobicContact CD1-CD1 3.7Å
77S97.2Very high96.8Very high64 Ų6461.1 Ų61.145%0.44831%0.314SS..Hα-helixtrans-70.7-44.5178.6-168.40000111.7T75 Y80 Q81T75-S77 PolarHBondContact O-N 3.27Å; T75-S77 VanDerWaalsContact O-N 3.12Å; T75-S77 PolarHBondContact OG1-N 3.2Å; S77-Y80 WeakPolarHBondContact O-CB 3.45Å; S77-Y80 PolarHBondContact O-N 3.37Å; S77-Q81 WeakPolarHBondContact O-CG 3.44Å; S77-Q81 PolarHBondContact O-N 3.39Å; S77-Q81 PolarHBondContact O-NE2 3.13Å; S77-Q81 PolarHBondContact OG-NE2 3.49Å; S77-Q81 VanDerWaalsContact OG-NE2 3.16Å
78E97.4Very high96.7Very high75 Ų7562.3 Ų62.335%0.3533%0.325SS..Hα-helixtrans-69.8-35.7180-66.1149.9124.100111.2L74 T75 Y80 Q81 F82L74-E78 HydrophobicContact CB-CB 4.24Å; L74-E78 HydrophobicContact CD1-CB 4.44Å; L74-E78 HydrophobicContact CD2-CB 3.83Å; L74-E78 HydrophobicContact CD2-CG 4.5Å; L74-E78 HydrophobicContact CG-CB 4.41Å; T75-E78 WeakPolarHBondContact CA-OE2 3.28Å; T75-E78 WeakPolarHBondContact CB-OE2 3.41Å; T75-E78 VanDerWaalsContact CG2-OE2 3.28Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.16Å; T75-E78 PolarHBondContact N-OE2 2.74Å; T75-E78 PolarHBondContact O-N 3.11Å; T75-E78 VanDerWaalsContact O-N 3.12Å; T75-E78 PolarHBondContact OG1-N 3.05Å; T75-E78 PolarHBondContact OG1-OE2 2.58Å; E78-Y80 VanDerWaalsContact C-N 3.34Å; E78-Y80 PolarHBondContact O-N 3.45Å; E78-Q81 PolarHBondContact O-N 2.92Å; E78-Q81 VanDerWaalsContact O-N 3.12Å; E78-F82 WeakPolarHBondContact O-CB 3.47Å; E78-F82 PolarHBondContact O-N 2.88Å
79I98.1Very high96.7Very high0 Ų061.9 Ų61.90%032%0.315CS..Hα-helixtrans-58.9-44.9171.1-65165.8000110.5I62 L74 T75 Q81 L83 V101 L105I62-I79 HydrophobicContact CG1-CG2 4.27Å; I62-I79 HydrophobicContact CG2-CD1 4.33Å; L74-I79 HydrophobicContact CB-CD1 4.35Å; L74-I79 HydrophobicContact CB-CG1 3.81Å; L74-I79 HydrophobicContact CD1-CG1 4.07Å; T75-I79 WeakPolarHBondContact O-CG1 3.48Å; T75-I79 PolarHBondContact O-N 3.39Å; I79-Q81 VanDerWaalsContact C-N 3.32Å; I79-Q81 PolarHBondContact O-N 3.31Å; I79-L83 HydrophobicContact CG2-CD1 4.23Å; I79-L83 VanDerWaalsContact O-CG 3.3Å; I79-L83 WeakPolarHBondContact O-CG 3.4Å; I79-L83 PolarHBondContact O-N 2.94Å; I79-L83 VanDerWaalsContact O-N 3.11Å; I79-V101 HydrophobicContact CG2-CG1 3.94Å; I79-L105 HydrophobicContact CD1-CD1 4.2Å; I79-L105 HydrophobicContact CD1-CD2 4.25Å
80Y97.9Very high96.6Very high33 Ų3361.4 Ų61.413%0.12931%0.311CS..Hα-helixtrans-61.7-40.2174.5-62.2-25.7000112.1L76 S77 E78 Q84 W97 K98 V101 R102L76-Y80 HydrophobicContact CD1-CD1 4.37Å; L76-Y80 HydrophobicContact CD1-CE1 3.61Å; L76-Y80 HydrophobicContact CD1-CE2 4.38Å; L76-Y80 HydrophobicContact CD2-CE2 4.44Å; L76-Y80 HydrophobicContact CG-CE1 4.1Å; L76-Y80 HydrophobicContact CG-CE2 3.95Å; L76-Y80 WeakPolarHBondContact O-CD2 3.45Å; L76-Y80 VanDerWaalsContact O-CG 3.26Å; L76-Y80 PolarHBondContact O-N 3.41Å; S77-Y80 WeakPolarHBondContact O-CB 3.45Å; S77-Y80 PolarHBondContact O-N 3.37Å; E78-Y80 VanDerWaalsContact C-N 3.34Å; E78-Y80 PolarHBondContact O-N 3.45Å; Y80-Q84 WeakPolarHBondContact O-CG 3.29Å; Y80-Q84 PolarHBondContact O-N 2.94Å; Y80-Q84 VanDerWaalsContact O-N 3.14Å; Y80-Q84 PolarHBondContact O-NE2 2.8Å; Y80-W97 HydrophobicContact CD1-CH2 4.23Å; Y80-W97 AromaticContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CG-CH2 4.37Å; Y80-W97 HydrophobicContact CG-CZ3 4.34Å; Y80-K98 HydrophobicContact CD1-CB 4.43Å; Y80-K98 HydrophobicContact CD1-CD 4.4Å; Y80-K98 HydrophobicContact CD1-CG 3.88Å; Y80-K98 HydrophobicContact CD2-CD 4.06Å; Y80-K98 HydrophobicContact CD2-CG 4.41Å; Y80-K98 HydrophobicContact CE1-CB 3.72Å; Y80-K98 HydrophobicContact CE1-CD 4.31Å; Y80-K98 HydrophobicContact CE1-CG 3.68Å; Y80-K98 HydrophobicContact CE2-CB 4.48Å; Y80-K98 HydrophobicContact CE2-CD 3.97Å; Y80-K98 HydrophobicContact CE2-CG 4.25Å; Y80-K98 HydrophobicContact CG-CD 4.28Å; Y80-K98 HydrophobicContact CG-CG 4.24Å; Y80-V101 HydrophobicContact CD1-CG1 4.33Å; Y80-V101 HydrophobicContact CE1-CB 4.18Å; Y80-V101 HydrophobicContact CE1-CG1 4Å; Y80-R102 WeakPolarHBondContact OH-CG 3.45Å; Y80-R102 PolarHBondContact OH-NH1 3.29Å; Y80-R102 VanDerWaalsContact OH-NH1 3.11Å
81Q97.9Very high96.5Very high109 Ų10962.2 Ų62.251%0.50930%0.297SS..Hα-helixtrans-67.6-45.3-179.6-70.3168.957.700111.7S77 E78 I79 L83 Q84 S85S77-Q81 WeakPolarHBondContact O-CG 3.44Å; S77-Q81 PolarHBondContact O-N 3.39Å; S77-Q81 PolarHBondContact O-NE2 3.13Å; S77-Q81 PolarHBondContact OG-NE2 3.49Å; S77-Q81 VanDerWaalsContact OG-NE2 3.16Å; E78-Q81 PolarHBondContact O-N 2.92Å; E78-Q81 VanDerWaalsContact O-N 3.12Å; I79-Q81 VanDerWaalsContact C-N 3.32Å; I79-Q81 PolarHBondContact O-N 3.31Å; Q81-L83 PolarHBondContact O-N 2.95Å; Q81-Q84 PolarHBondContact O-N 3.48Å; Q81-S85 PolarHBondContact O-N 2.84Å; Q81-S85 PolarHBondContact O-OG 3.36Å
82F98Very high96.3Very high43 Ų4360.1 Ų60.119%0.18929%0.292CS..Hα-helixtrans-58.6-44.5175.2176.9-88.7000112.3M64 A65 S68 E78 Q84 S85 R86M64-F82 HydrophobicContact CB-CE1 4.31Å; M64-F82 HydrophobicContact CB-CZ 4.46Å; A65-F82 VanDerWaalsContact CA-CD1 3.5Å; A65-F82 HydrophobicContact CB-CB 4.03Å; A65-F82 HydrophobicContact CB-CD1 3.32Å; A65-F82 HydrophobicContact CB-CD2 4.46Å; A65-F82 HydrophobicContact CB-CE1 3.84Å; A65-F82 HydrophobicContact CB-CG 3.68Å; S68-F82 WeakPolarHBondContact OG-CD2 3.35Å; S68-F82 WeakPolarHBondContact OG-CE2 3.42Å; E78-F82 WeakPolarHBondContact O-CB 3.47Å; E78-F82 PolarHBondContact O-N 2.88Å; F82-Q84 VanDerWaalsContact C-N 3.35Å; F82-Q84 PolarHBondContact O-N 3.16Å; F82-S85 PolarHBondContact O-N 3.39Å; F82-S85 PolarHBondContact O-OG 3.07Å; F82-S85 VanDerWaalsContact O-OG 3.04Å; F82-R86 HydrophobicContact CE1-CB 4.3Å; F82-R86 HydrophobicContact CZ-CB 4.37Å; F82-R86 HydrophobicContact CZ-CG 4.36Å; F82-R86 VanDerWaalsContact O-CB 3.3Å; F82-R86 WeakPolarHBondContact O-CB 3.34Å; F82-R86 PolarHBondContact O-N 3.16Å
83L97.7Very high96.1Very high0 Ų061.1 Ų61.10%031%0.312CS..Hα-helixtrans-65.1-40.2179.1-67.8178.8000111.8L61 I79 Q81 F87 F90 W97 V101L61-L83 HydrophobicContact CB-CD2 3.8Å; L61-L83 HydrophobicContact CD2-CD2 4.03Å; L61-L83 HydrophobicContact CG-CD2 4.43Å; I79-L83 HydrophobicContact CG2-CD1 4.23Å; I79-L83 VanDerWaalsContact O-CG 3.3Å; I79-L83 WeakPolarHBondContact O-CG 3.4Å; I79-L83 PolarHBondContact O-N 2.94Å; I79-L83 VanDerWaalsContact O-N 3.11Å; Q81-L83 PolarHBondContact O-N 2.95Å; L83-F87 HydrophobicContact CD2-CD2 4.2Å; L83-F87 HydrophobicContact CD2-CE2 4.19Å; L83-F87 PolarHBondContact O-N 3.05Å; L83-F90 HydrophobicContact CB-CB 4.49Å; L83-F90 HydrophobicContact CB-CD2 3.74Å; L83-F90 HydrophobicContact CB-CE2 4.22Å; L83-F90 HydrophobicContact CB-CG 4.17Å; L83-F90 HydrophobicContact CD2-CE2 4.29Å; L83-F90 WeakPolarHBondContact O-CD2 3.42Å; L83-W97 HydrophobicContact CB-CZ3 4.47Å; L83-W97 HydrophobicContact CD1-CZ3 4.27Å; L83-V101 HydrophobicContact CD1-CG2 3.93Å
84Q96.9Very high96Very high55 Ų5564 Ų6426%0.25732%0.324SS..Hα-helixtrans-67.5-40.5174.6-74.4166.9107.700112.4Y80 Q81 F82 F90 R91 W97Y80-Q84 WeakPolarHBondContact O-CG 3.29Å; Y80-Q84 PolarHBondContact O-N 2.94Å; Y80-Q84 VanDerWaalsContact O-N 3.14Å; Y80-Q84 PolarHBondContact O-NE2 2.8Å; Q81-Q84 PolarHBondContact O-N 3.48Å; F82-Q84 VanDerWaalsContact C-N 3.35Å; F82-Q84 PolarHBondContact O-N 3.16Å; Q84-F90 HydrophobicContact CG-CB 4.09Å; Q84-F90 WeakPolarHBondContact CG-O 3.44Å; Q84-R91 HydrophobicContact CB-CG 4.38Å; Q84-R91 VanDerWaalsContact O-CG 3.29Å; Q84-R91 WeakPolarHBondContact O-CG 3.38Å; Q84-R91 PolarHBondContact O-NE 3.07Å; Q84-W97 HydrophobicContact CG-CH2 3.99Å; Q84-W97 HydrophobicContact CG-CZ2 3.98Å
85S96.9Very high95.9Very high73 Ų7366.9 Ų66.951%0.5134%0.337SS..Hα-helixtrans-68.1-47.4178.568.50000111.2Q81 F82 R91Q81-S85 PolarHBondContact O-N 2.84Å; Q81-S85 PolarHBondContact O-OG 3.36Å; F82-S85 PolarHBondContact O-N 3.39Å; F82-S85 PolarHBondContact O-OG 3.07Å; F82-S85 VanDerWaalsContact O-OG 3.04Å; S85-R91 PolarHBondContact O-NH2 2.97Å
86R95.4Very high95.8Very high178 Ų17867.5 Ų67.567%0.67235%0.346SS*.Hα-helixtrans-77.5-33.8-174.4-166.861.1171.4-177-0.7114.6F82F82-R86 HydrophobicContact CE1-CB 4.3Å; F82-R86 HydrophobicContact CZ-CB 4.37Å; F82-R86 HydrophobicContact CZ-CG 4.36Å; F82-R86 VanDerWaalsContact O-CB 3.3Å; F82-R86 WeakPolarHBondContact O-CB 3.34Å; F82-R86 PolarHBondContact O-N 3.16Å
87F94.9Very high95.8Very high31 Ų3165.4 Ų65.414%0.13634%0.335CS..  trans-128.6115.2-175.8-50.9-80.7000112.2P54 Y56 L61 M64 L83 F89 F90P54-F87 HydrophobicContact CB-CD1 3.95Å; P54-F87 HydrophobicContact CB-CE1 4.13Å; P54-F87 HydrophobicContact CB-CG 4.46Å; P54-F87 HydrophobicContact CG-CB 3.8Å; P54-F87 HydrophobicContact CG-CD1 3.53Å; P54-F87 HydrophobicContact CG-CE1 4.21Å; P54-F87 HydrophobicContact CG-CG 3.7Å; Y56-F87 HydrophobicContact CD2-CE1 4.31Å; Y56-F87 HydrophobicContact CD2-CZ 4.32Å; Y56-F87 HydrophobicContact CE2-CE1 4.07Å; Y56-F87 HydrophobicContact CE2-CZ 4.29Å; L61-F87 HydrophobicContact CD2-CD2 4Å; L61-F87 HydrophobicContact CD2-CE2 3.47Å; L61-F87 VanDerWaalsContact CD2-CE2 3.47Å; L61-F87 HydrophobicContact CD2-CZ 3.84Å; M64-F87 HydrophobicContact CE-CZ 4.03Å; L83-F87 HydrophobicContact CD2-CD2 4.2Å; L83-F87 HydrophobicContact CD2-CE2 4.19Å; L83-F87 PolarHBondContact O-N 3.05Å; F87-F89 PolarHBondContact O-N 3.14Å; F87-F90 HydrophobicContact CB-CD2 3.85Å; F87-F90 HydrophobicContact CB-CE2 4.05Å; F87-F90 HydrophobicContact CD2-CD2 4.32Å; F87-F90 HydrophobicContact CD2-CE2 4.08Å; F87-F90 HydrophobicContact CG-CE2 4.34Å; F87-F90 PolarHBondContact O-N 3Å; F87-F90 VanDerWaalsContact O-N 3.16Å
88P94.5Very high95.8Very high67 Ų6764.5 Ų64.544%0.43532%0.323SS..G310 helixtrans-54.8-26.5179.7-29.837000115.4P51 F90 R91P51-P88 HydrophobicContact CB-CB 3.85Å; P51-P88 HydrophobicContact CG-CB 4.33Å; P88-F90 PolarHBondContact O-N 2.98Å; P88-R91 WeakPolarHBondContact O-CB 3.47Å; P88-R91 PolarHBondContact O-N 3.13Å; P88-R91 VanDerWaalsContact O-N 3.1Å
89F94Very high95.8Very high60 Ų6065.5 Ų65.526%0.26333%0.331SS..G310 helixtrans-51.4-36175.7177.1-102.9000114.1P51 K53 F87P51-F89 WeakPolarHBondContact O-CD2 3.09Å; K53-F89 HydrophobicContact CB-CD2 4.07Å; K53-F89 HydrophobicContact CB-CE1 4.48Å; K53-F89 HydrophobicContact CB-CE2 3.83Å; K53-F89 HydrophobicContact CB-CG 4.5Å; K53-F89 HydrophobicContact CB-CZ 4.06Å; K53-F89 HydrophobicContact CD-CE1 4.5Å; K53-F89 HydrophobicContact CD-CZ 4.14Å; K53-F89 HydrophobicContact CG-CD1 4.4Å; K53-F89 HydrophobicContact CG-CE1 4Å; K53-F89 HydrophobicContact CG-CE2 4.2Å; K53-F89 HydrophobicContact CG-CZ 3.9Å; F87-F89 PolarHBondContact O-N 3.14Å
90F95.4Very high95.8Very high2 Ų267.1 Ų67.11%0.00934%0.342CS..G310 helixtrans-86.6-5.9-176.9-60-64.6000114.1P54 Y58 L61 L83 Q84 F87 P88 W97P54-F90 HydrophobicContact CG-CE2 4.34Å; Y58-F90 HydrophobicContact CE1-CE1 4.32Å; L61-F90 HydrophobicContact CD1-CE2 4.22Å; L61-F90 HydrophobicContact CD1-CZ 3.75Å; L61-F90 HydrophobicContact CD2-CE2 4.35Å; L83-F90 HydrophobicContact CB-CB 4.49Å; L83-F90 HydrophobicContact CB-CD2 3.74Å; L83-F90 HydrophobicContact CB-CE2 4.22Å; L83-F90 HydrophobicContact CB-CG 4.17Å; L83-F90 HydrophobicContact CD2-CE2 4.29Å; L83-F90 WeakPolarHBondContact O-CD2 3.42Å; Q84-F90 HydrophobicContact CG-CB 4.09Å; Q84-F90 WeakPolarHBondContact CG-O 3.44Å; F87-F90 HydrophobicContact CB-CD2 3.85Å; F87-F90 HydrophobicContact CB-CE2 4.05Å; F87-F90 HydrophobicContact CD2-CD2 4.32Å; F87-F90 HydrophobicContact CD2-CE2 4.08Å; F87-F90 HydrophobicContact CG-CE2 4.34Å; F87-F90 PolarHBondContact O-N 3Å; F87-F90 VanDerWaalsContact O-N 3.16Å; P88-F90 PolarHBondContact O-N 2.98Å; F90-W97 HydrophobicContact CB-CD2 4.33Å; F90-W97 HydrophobicContact CB-CH2 4.16Å; F90-W97 HydrophobicContact CB-CZ2 3.85Å; F90-W97 HydrophobicContact CD1-CB 4Å; F90-W97 AromaticContact CD1-CD2 3.48Å; F90-W97 HydrophobicContact CD1-CD2 3.48Å; F90-W97 VanDerWaalsContact CD1-CD2 3.48Å; F90-W97 AromaticContact CD1-CE2 3.92Å; F90-W97 AromaticContact CD1-CE3 3.76Å; F90-W97 HydrophobicContact CD1-CE3 3.76Å; F90-W97 AromaticContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CZ3 4.39Å; F90-W97 HydrophobicContact CE1-CB 3.99Å; F90-W97 HydrophobicContact CE1-CD2 4.22Å; F90-W97 HydrophobicContact CE1-CE3 4.31Å; F90-W97 HydrophobicContact CE1-CG 4.11Å; F90-W97 HydrophobicContact CG-CD2 4.26Å; F90-W97 HydrophobicContact CG-CE3 4.38Å; F90-W97 VanDerWaalsContact O-CZ2 3.3Å; F90-W97 WeakPolarHBondContact O-CZ2 3.3Å
91R94.4Very high95.8Very high150 Ų15065.6 Ų65.657%0.56634%0.336SS*.G310 helixtrans-81-10.7-177.6-57.1-179.3-172.4174.80.4114.3Q84 S85 P88Q84-R91 HydrophobicContact CB-CG 4.38Å; Q84-R91 VanDerWaalsContact O-CG 3.29Å; Q84-R91 WeakPolarHBondContact O-CG 3.38Å; Q84-R91 PolarHBondContact O-NE 3.07Å; S85-R91 PolarHBondContact O-NH2 2.97Å; P88-R91 WeakPolarHBondContact O-CB 3.47Å; P88-R91 PolarHBondContact O-N 3.13Å; P88-R91 VanDerWaalsContact O-N 3.1Å
92G90.9Very high95.9Very high40 Ų4065.5 Ų65.541%0.41233%0.331SS..SBendtrans-72.3169-176.800000114.1Y94 Q95G92-Y94 PolarHBondContact O-N 3.45Å; G92-Q95 PolarHBondContact O-NE2 3.39Å
93S92.3Very high95.9Very high122 Ų12268.3 Ų68.385%0.85335%0.345SS*.SBendtrans-59.7-31.5177.253.90000113.4Q95S93-Q95 WeakPolarHBondContact O-CG 3.46Å; S93-Q95 PolarHBondContact O-N 2.92Å; S93-Q95 PolarHBondContact O-NE2 2.88Å
94Y93.6Very high95.9Very high165 Ų16569.5 Ų69.565%0.64735%0.351SS*.  trans-64.7113.7177.1177-102.9000112.5G92 W97G92-Y94 PolarHBondContact O-N 3.45Å; Y94-W97 PolarHBondContact O-NE1 3.16Å
95Q95.3Very high95.9Very high78 Ų7867 Ų6736%0.36434%0.34SS..  trans-99.40.1-177.7-59.1-51.6-57.200114.9G92 S93 W97 K98G92-Q95 PolarHBondContact O-NE2 3.39Å; S93-Q95 WeakPolarHBondContact O-CG 3.46Å; S93-Q95 PolarHBondContact O-N 2.92Å; S93-Q95 PolarHBondContact O-NE2 2.88Å; Q95-W97 PolarHBondContact O-N 2.78Å; Q95-W97 VanDerWaalsContact O-N 3.09Å; Q95-K98 HydrophobicContact CB-CD 4.5Å; Q95-K98 VanDerWaalsContact O-CB 3.31Å; Q95-K98 WeakPolarHBondContact O-CB 3.1Å; Q95-K98 PolarHBondContact O-N 3.03Å
96G96.3Very high96Very high27 Ų2768 Ų6828%0.27835%0.346SS..THydrogen-bonded Turntrans-59.5-27.4-172.800000114.5K98 N99 S100G96-K98 PolarHBondContact O-N 3.1Å; G96-N99 WeakPolarHBondContact O-CB 3.47Å; G96-N99 PolarHBondContact O-N 3.31Å; G96-S100 PolarHBondContact O-N 2.81Å
97W96.8Very high96Very high2 Ų264.5 Ų64.51%0.00834%0.34CS..Hα-helixtrans-57.8-30.4172.362.8-95.8000113.4Y58 Y80 L83 Q84 F90 Y94 Q95 N99 S100 V101Y58-W97 HydrophobicContact CE1-CB 4.42Å; Y80-W97 HydrophobicContact CD1-CH2 4.23Å; Y80-W97 AromaticContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CG-CH2 4.37Å; Y80-W97 HydrophobicContact CG-CZ3 4.34Å; L83-W97 HydrophobicContact CB-CZ3 4.47Å; L83-W97 HydrophobicContact CD1-CZ3 4.27Å; Q84-W97 HydrophobicContact CG-CH2 3.99Å; Q84-W97 HydrophobicContact CG-CZ2 3.98Å; F90-W97 HydrophobicContact CB-CD2 4.33Å; F90-W97 HydrophobicContact CB-CH2 4.16Å; F90-W97 HydrophobicContact CB-CZ2 3.85Å; F90-W97 HydrophobicContact CD1-CB 4Å; F90-W97 AromaticContact CD1-CD2 3.48Å; F90-W97 HydrophobicContact CD1-CD2 3.48Å; F90-W97 VanDerWaalsContact CD1-CD2 3.48Å; F90-W97 AromaticContact CD1-CE2 3.92Å; F90-W97 AromaticContact CD1-CE3 3.76Å; F90-W97 HydrophobicContact CD1-CE3 3.76Å; F90-W97 AromaticContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CZ3 4.39Å; F90-W97 HydrophobicContact CE1-CB 3.99Å; F90-W97 HydrophobicContact CE1-CD2 4.22Å; F90-W97 HydrophobicContact CE1-CE3 4.31Å; F90-W97 HydrophobicContact CE1-CG 4.11Å; F90-W97 HydrophobicContact CG-CD2 4.26Å; F90-W97 HydrophobicContact CG-CE3 4.38Å; F90-W97 VanDerWaalsContact O-CZ2 3.3Å; F90-W97 WeakPolarHBondContact O-CZ2 3.3Å; Y94-W97 PolarHBondContact O-NE1 3.16Å; Q95-W97 PolarHBondContact O-N 2.78Å; Q95-W97 VanDerWaalsContact O-N 3.09Å; W97-N99 PolarHBondContact O-N 2.76Å; W97-S100 WeakPolarHBondContact O-CB 3.35Å; W97-S100 PolarHBondContact O-N 3.34Å; W97-S100 VanDerWaalsContact O-N 3.13Å; W97-V101 HydrophobicContact CE3-CG2 4.16Å; W97-V101 WeakPolarHBondContact O-CG2 3.43Å; W97-V101 PolarHBondContact O-N 3.18Å
98K97.6Very high96.1Very high45 Ų4564.6 Ų64.620%0.19634%0.342CS..Hα-helixtrans-62.6-30.1174.8-69.5-177.9169157.30111.8Y80 Q95 G96 R102Y80-K98 HydrophobicContact CD1-CB 4.43Å; Y80-K98 HydrophobicContact CD1-CD 4.4Å; Y80-K98 HydrophobicContact CD1-CG 3.88Å; Y80-K98 HydrophobicContact CD2-CD 4.06Å; Y80-K98 HydrophobicContact CD2-CG 4.41Å; Y80-K98 HydrophobicContact CE1-CB 3.72Å; Y80-K98 HydrophobicContact CE1-CD 4.31Å; Y80-K98 HydrophobicContact CE1-CG 3.68Å; Y80-K98 HydrophobicContact CE2-CB 4.48Å; Y80-K98 HydrophobicContact CE2-CD 3.97Å; Y80-K98 HydrophobicContact CE2-CG 4.25Å; Y80-K98 HydrophobicContact CG-CD 4.28Å; Y80-K98 HydrophobicContact CG-CG 4.24Å; Q95-K98 HydrophobicContact CB-CD 4.5Å; Q95-K98 VanDerWaalsContact O-CB 3.31Å; Q95-K98 WeakPolarHBondContact O-CB 3.1Å; Q95-K98 PolarHBondContact O-N 3.03Å; G96-K98 PolarHBondContact O-N 3.1Å; K98-R102 WeakPolarHBondContact O-CG 3.3Å; K98-R102 PolarHBondContact O-N 3.14Å; K98-R102 PolarHBondContact O-NH1 2.82Å
99N98.1Very high96.1Very high95 Ų9569.5 Ų69.551%0.50836%0.359SS..Hα-helixtrans-71.1-43.4173.2-159.441.9000111.3G96 W97 V101 R102 H103G96-N99 WeakPolarHBondContact O-CB 3.47Å; G96-N99 PolarHBondContact O-N 3.31Å; W97-N99 PolarHBondContact O-N 2.76Å; N99-V101 VanDerWaalsContact C-N 3.3Å; N99-V101 PolarHBondContact O-N 3.03Å; N99-R102 PolarHBondContact O-N 3.49Å; N99-R102 PolarHBondContact OD1-NH2 3.26Å; N99-H103 WeakPolarHBondContact O-CB 3.47Å; N99-H103 PolarHBondContact O-N 2.77Å
100S97.9Very high96.1Very high35 Ų3567.4 Ų67.425%0.24535%0.352CS..Hα-helixtrans-60-38.7175.1-50.10000112.6Y58 G96 W97 N104Y58-S100 PolarHBondContact OH-OG 3.24Å; G96-S100 PolarHBondContact O-N 2.81Å; W97-S100 WeakPolarHBondContact O-CB 3.35Å; W97-S100 PolarHBondContact O-N 3.34Å; W97-S100 VanDerWaalsContact O-N 3.13Å; S100-N104 WeakPolarHBondContact O-CB 3.34Å; S100-N104 PolarHBondContact O-N 3.44Å; S100-N104 PolarHBondContact O-ND2 3.12Å
101V98.1Very high96.2Very high0 Ų067.8 Ų67.80%035%0.354CS..Hα-helixtrans-62.2-51.3174.61700000111.3Y58 I62 L76 I79 Y80 L83 W97 N99 H103 N104 L105Y58-V101 HydrophobicContact CD1-CG2 4.21Å; I62-V101 HydrophobicContact CD1-CG1 4.26Å; I62-V101 HydrophobicContact CG1-CG1 4.29Å; L76-V101 HydrophobicContact CD1-CG1 4.08Å; I79-V101 HydrophobicContact CG2-CG1 3.94Å; Y80-V101 HydrophobicContact CD1-CG1 4.33Å; Y80-V101 HydrophobicContact CE1-CB 4.18Å; Y80-V101 HydrophobicContact CE1-CG1 4Å; L83-V101 HydrophobicContact CD1-CG2 3.93Å; W97-V101 HydrophobicContact CE3-CG2 4.16Å; W97-V101 WeakPolarHBondContact O-CG2 3.43Å; W97-V101 PolarHBondContact O-N 3.18Å; N99-V101 VanDerWaalsContact C-N 3.3Å; N99-V101 PolarHBondContact O-N 3.03Å; V101-H103 VanDerWaalsContact C-N 3.35Å; V101-H103 PolarHBondContact O-N 3.16Å; V101-N104 PolarHBondContact O-N 3.31Å; V101-L105 HydrophobicContact CG1-CD1 4.18Å; V101-L105 WeakPolarHBondContact O-CG 3.2Å; V101-L105 PolarHBondContact O-N 3.12Å
102R98.2Very high96.4Very high108 Ų10863.9 Ų63.941%0.40834%0.343SS..Hα-helixtrans-56-48.5176.5-71.1-174-57-96.713.9112.2L76 Y80 K98 N99 N104 L105 S106L76-R102 HydrophobicContact CD1-CG 3.93Å; L76-R102 HydrophobicContact CD2-CG 3.81Å; Y80-R102 WeakPolarHBondContact OH-CG 3.45Å; Y80-R102 PolarHBondContact OH-NH1 3.29Å; Y80-R102 VanDerWaalsContact OH-NH1 3.11Å; K98-R102 WeakPolarHBondContact O-CG 3.3Å; K98-R102 PolarHBondContact O-N 3.14Å; K98-R102 PolarHBondContact O-NH1 2.82Å; N99-R102 PolarHBondContact O-N 3.49Å; N99-R102 PolarHBondContact OD1-NH2 3.26Å; R102-N104 VanDerWaalsContact C-N 3.33Å; R102-N104 PolarHBondContact O-N 3.12Å; R102-L105 PolarHBondContact O-N 2.83Å; R102-S106 PolarHBondContact O-N 3.29Å; R102-S106 VanDerWaalsContact O-N 3.15Å; R102-S106 PolarHBondContact O-OG 3.32Å
103H98.3Very high96.7Very high101 Ų10167.8 Ų67.847%0.46835%0.349SS..Hα-helixtrans-60.8-39.1178.7169.472.9000112.4N99 V101 S106 L107N99-H103 WeakPolarHBondContact O-CB 3.47Å; N99-H103 PolarHBondContact O-N 2.77Å; V101-H103 VanDerWaalsContact C-N 3.35Å; V101-H103 PolarHBondContact O-N 3.16Å; H103-S106 PolarHBondContact O-N 2.85Å; H103-S106 PolarHBondContact O-OG 3.01Å; H103-S106 VanDerWaalsContact O-OG 3.13Å; H103-L107 WeakPolarHBondContact CE1-CD1 3.48Å; H103-L107 WeakPolarHBondContact O-CB 3.19Å; H103-L107 PolarHBondContact O-N 3.23Å
104N98.2Very high96.8Very high25 Ų2564.4 Ų64.413%0.13432%0.321CS..Hα-helixtrans-71.2-33.7177.6-83.6-106.6000112.6I62 S100 V101 R102 S106 N108I62-N104 HydrophobicContact CD1-CB 3.92Å; S100-N104 WeakPolarHBondContact O-CB 3.34Å; S100-N104 PolarHBondContact O-N 3.44Å; S100-N104 PolarHBondContact O-ND2 3.12Å; V101-N104 PolarHBondContact O-N 3.31Å; R102-N104 VanDerWaalsContact C-N 3.33Å; R102-N104 PolarHBondContact O-N 3.12Å; N104-S106 VanDerWaalsContact C-N 3.34Å; N104-N108 PolarHBondContact O-N 3.42Å; N104-N108 PolarHBondContact O-ND2 3.34Å
105L98Very high96.8Very high4 Ų461.6 Ų61.62%0.02132%0.323CS..Hα-helixtrans-64.8-35.8173.2-71.6166.7000112.3I62 L76 I79 V101 R102 F111 W127I62-L105 HydrophobicContact CD1-CD2 4.18Å; I62-L105 HydrophobicContact CD1-CG 4.04Å; I62-L105 HydrophobicContact CG2-CD2 3.71Å; L76-L105 HydrophobicContact CD1-CD1 3.7Å; I79-L105 HydrophobicContact CD1-CD1 4.2Å; I79-L105 HydrophobicContact CD1-CD2 4.25Å; V101-L105 HydrophobicContact CG1-CD1 4.18Å; V101-L105 WeakPolarHBondContact O-CG 3.2Å; V101-L105 PolarHBondContact O-N 3.12Å; R102-L105 PolarHBondContact O-N 2.83Å; L105-F111 HydrophobicContact CD2-CB 4.06Å; L105-F111 HydrophobicContact CD2-CD1 4.4Å; L105-F111 HydrophobicContact CD2-CD2 4.17Å; L105-F111 HydrophobicContact CD2-CG 3.95Å; L105-W127 HydrophobicContact CB-CD2 4.2Å; L105-W127 HydrophobicContact CB-CE3 4.15Å; L105-W127 HydrophobicContact CB-CH2 4.02Å; L105-W127 HydrophobicContact CB-CZ2 4.09Å; L105-W127 HydrophobicContact CB-CZ3 4.05Å; L105-W127 HydrophobicContact CD1-CD2 4.35Å; L105-W127 HydrophobicContact CD1-CG 4.37Å; L105-W127 HydrophobicContact CD2-CB 4.12Å; L105-W127 HydrophobicContact CD2-CD2 3.89Å; L105-W127 HydrophobicContact CD2-CE3 4.04Å; L105-W127 HydrophobicContact CD2-CG 3.92Å; L105-W127 HydrophobicContact CG-CD2 4.38Å; L105-W127 WeakPolarHBondContact O-CZ3 3.48Å
106S97.2Very high96.4Very high92 Ų9260.1 Ų60.164%0.64332%0.316SS*.Hα-helixtrans-88.2-20.7179.558.90000115.1R102 H103 N104R102-S106 PolarHBondContact O-N 3.29Å; R102-S106 VanDerWaalsContact O-N 3.15Å; R102-S106 PolarHBondContact O-OG 3.32Å; H103-S106 PolarHBondContact O-N 2.85Å; H103-S106 PolarHBondContact O-OG 3.01Å; H103-S106 VanDerWaalsContact O-OG 3.13Å; N104-S106 VanDerWaalsContact C-N 3.34Å
107L96.5Very high95.7Very high105 Ų10561.6 Ų61.655%0.5533%0.33SS..Hα-helixtrans-93.6-29.1-175.1-179.9146.7000113.8H103H103-L107 WeakPolarHBondContact CE1-CD1 3.48Å; H103-L107 WeakPolarHBondContact O-CB 3.19Å; H103-L107 PolarHBondContact O-N 3.23Å
108N96.1Very high94.4Very high34 Ų3470.1 Ų70.118%0.18238%0.375CS..  trans-105.1122.4-173.4-57.7-90.4000110.6I59 N104 C110 F111I59-N108 VanDerWaalsContact CD1-OD1 3.24Å; I59-N108 WeakPolarHBondContact CD1-OD1 3.49Å; N104-N108 PolarHBondContact O-N 3.42Å; N104-N108 PolarHBondContact O-ND2 3.34Å; N108-C110 PolarHBondContact O-N 2.79Å; N108-F111 HydrophobicContact CB-CD2 4.28Å; N108-F111 HydrophobicContact CB-CE2 4.49Å; N108-F111 PolarHBondContact O-N 3.27Å
109E94.7Very high93.2Very high169 Ų16971.6 Ų71.679%0.7940%0.403SS*.THydrogen-bonded Turntrans-54.2-24.2176.9-61.8166.313700113F111E109-F111 PolarHBondContact O-N 3.39Å
110C95.4Very high92.1Very high17 Ų1776.5 Ų76.512%0.11542%0.415CS..THydrogen-bonded Turntrans-59.7-9.6174.8-48.90000114.9N108 I129 D130 S133 F137N108-C110 PolarHBondContact O-N 2.79Å; C110-I129 WeakPolarHBondContact O-CA 3.42Å; C110-D130 PolarHBondContact O-N 3.19Å; C110-S133 WeakPolarHBondContact CA-OG 3.49Å; C110-F137 HydrophobicContact CB-CE2 4.49Å
111F97.5Very high90.8Very high9 Ų981.3 Ų81.34%0.03945%0.445CS..EExtended strand (participates in β ladder)trans-123114.7176.3-55.4-58.5000111.2I59 I62 V63 I66 L105 N108 E109 W127 T128 I129I59-F111 HydrophobicContact CB-CE2 4.39Å; I59-F111 HydrophobicContact CB-CZ 4.38Å; I59-F111 HydrophobicContact CG1-CE2 4.49Å; I59-F111 HydrophobicContact CG2-CE2 3.98Å; I59-F111 HydrophobicContact CG2-CZ 3.77Å; I62-F111 HydrophobicContact CB-CE1 3.99Å; I62-F111 HydrophobicContact CB-CE2 4.27Å; I62-F111 HydrophobicContact CB-CZ 3.64Å; I62-F111 HydrophobicContact CD1-CE2 4.05Å; I62-F111 HydrophobicContact CD1-CZ 4.29Å; I62-F111 HydrophobicContact CG2-CD1 3.87Å; I62-F111 HydrophobicContact CG2-CE1 3.37Å; I62-F111 HydrophobicContact CG2-CE2 4.13Å; I62-F111 HydrophobicContact CG2-CG 4.44Å; I62-F111 HydrophobicContact CG2-CZ 3.51Å; V63-F111 HydrophobicContact CG2-CE1 3.75Å; V63-F111 HydrophobicContact CG2-CZ 3.93Å; I66-F111 HydrophobicContact CD1-CD1 4.06Å; I66-F111 HydrophobicContact CD1-CE1 4.25Å; L105-F111 HydrophobicContact CD2-CB 4.06Å; L105-F111 HydrophobicContact CD2-CD1 4.4Å; L105-F111 HydrophobicContact CD2-CD2 4.17Å; L105-F111 HydrophobicContact CD2-CG 3.95Å; N108-F111 HydrophobicContact CB-CD2 4.28Å; N108-F111 HydrophobicContact CB-CE2 4.49Å; N108-F111 PolarHBondContact O-N 3.27Å; E109-F111 PolarHBondContact O-N 3.39Å; F111-W127 HydrophobicContact CB-CE3 4.11Å; F111-W127 HydrophobicContact CB-CZ3 4.5Å; F111-T128 WeakPolarHBondContact CA-O 3.3Å; F111-I129 HydrophobicContact CE1-CG1 4.49Å
112I97.3Very high89.9Confident68 Ų6883.6 Ų83.635%0.34947%0.469SS..EExtended strand (participates in β ladder)trans-103.9140.1177.360.1175.9000111.5W127 T128 D130I112-W127 WeakPolarHBondContact O-CA 3.42Å; I112-T128 HydrophobicContact CD1-CG2 3.8Å; I112-T128 HydrophobicContact CG1-CG2 3.38Å; I112-T128 PolarHBondContact N-O 2.92Å; I112-T128 PolarHBondContact O-N 3.17Å; I112-T128 VanDerWaalsContact O-N 3.13Å; I112-D130 HydrophobicContact CG2-CB 4.15Å
113K97.3Very high89.2Confident123 Ų12388.1 Ų88.154%0.53549%0.491SS..EExtended strand (participates in β ladder)trans-90107.7-176.5178-165.9166.3-1620109.7H125 W127K113-H125 WeakPolarHBondContact CE-CD2 3.24Å; K113-H125 WeakPolarHBondContact CE-NE2 3.21Å; K113-H125 HydrophobicContact CG-CB 3.97Å; K113-W127 HydrophobicContact CB-CE3 4.1Å; K113-W127 HydrophobicContact CB-CH2 3.95Å; K113-W127 HydrophobicContact CB-CZ2 4.37Å; K113-W127 HydrophobicContact CB-CZ3 3.8Å; K113-W127 HydrophobicContact CG-CH2 4.39Å; K113-W127 HydrophobicContact CG-CZ2 4.38Å
114L95.1Very high88.8Confident51 Ų5185.4 Ų85.427%0.26749%0.491SS..EExtended strand (participates in β ladder)trans-87.9141.4177.7-59.1178.5000111.6Y126 T128L114-Y126 PolarHBondContact N-O 2.74Å; L114-Y126 PolarHBondContact O-N 2.93Å; L114-T128 HydrophobicContact CD1-CG2 3.69Å; L114-T128 HydrophobicContact CD2-CG2 4.12Å; L114-T128 HydrophobicContact CG-CG2 3.84Å
115P92.8Very high88.7Confident106 Ų10688.1 Ų88.169%0.68850%0.502SS*.PPolyproline II helixtrans-64154170.129.1-34.6000110.9
116K86.9Confident88.6Confident47 Ų4790.7 Ų90.720%0.20451%0.512CS..PPolyproline II helixtrans-95.2134.6167.1-64.5-178.971.6-179.30108.1L118 G122 K123 G124 Y126K116-L118 PolarHBondContact O-N 3.27Å; K116-G122 VanDerWaalsContact NZ-C 3.28Å; K116-G122 PolarHBondContact NZ-O 3.28Å; K116-K123 PolarHBondContact NZ-O 3.19Å; K116-G124 WeakPolarHBondContact CD-O 3.18Å; K116-Y126 HydrophobicContact CG-CD2 3.81Å; K116-Y126 HydrophobicContact CG-CE2 3.94Å
117G81.4Confident88.6Confident57 Ų5788.3 Ų88.359%0.58849%0.489SS*.PPolyproline II helixtrans-57.2133.3176.200000111.3G119 R120G117-G119 PolarHBondContact O-N 3.13Å; G117-R120 PolarHBondContact O-N 3.49Å
118L70.9Confident88.7Confident182 Ų18284.5 Ų84.595%0.95347%0.47SS*.THydrogen-bonded Turntrans-57.6131.5175.2-71.369.9000108.1K116K116-L118 PolarHBondContact O-N 3.27Å
119G71.8Confident88.7Confident76 Ų7683 Ų8378%0.78446%0.462SS*.THydrogen-bonded Turntrans104.8-6-176.100000116.4G117 P121G117-G119 PolarHBondContact O-N 3.13Å; G119-P121 VanDerWaalsContact O-CD 3.27Å; G119-P121 WeakPolarHBondContact O-CD 3.16Å
120R75.2Confident88.8Confident198 Ų19877 Ų7775%0.74744%0.435SS*.  trans-103.992.5165.8-68.5-156.2-176.8-790.4111.7G117 G122G117-R120 PolarHBondContact O-N 3.49Å; R120-G122 PolarHBondContact O-N 3.41Å
121P71.3Confident88.8Confident136 Ų13680.6 Ų80.688%0.88346%0.458SS*.  trans-63.4119.6-179.726.7-34.3000110.4G119G119-P121 VanDerWaalsContact O-CD 3.27Å; G119-P121 WeakPolarHBondContact O-CD 3.16Å
122G78.9Confident88.5Confident48 Ų4883.8 Ų83.850%0.49549%0.486SS..  trans171.6143.8177.500000112.6K116 R120K116-G122 VanDerWaalsContact NZ-C 3.28Å; K116-G122 PolarHBondContact NZ-O 3.28Å; R120-G122 PolarHBondContact O-N 3.41Å
123K83.3Confident88.1Confident203 Ų20380.7 Ų80.788%0.88347%0.471SS*.SBendtrans-60152.1-171.7-162.5164-174.7165.10113.6K116K116-K123 PolarHBondContact NZ-O 3.19Å
124G89.8Confident87.7Confident44 Ų4478 Ų7845%0.45446%0.46SS..SBendtrans78.4-165.3168.200000115.5K116K116-G124 WeakPolarHBondContact CD-O 3.18Å
125H94.9Very high87.3Confident81 Ų8182.3 Ų82.338%0.37548%0.477SS..  trans-126.2163.5176.2-67.575.1000108.9T75 K113T75-H125 WeakPolarHBondContact CA-O 3.43Å; K113-H125 WeakPolarHBondContact CE-CD2 3.24Å; K113-H125 WeakPolarHBondContact CE-NE2 3.21Å; K113-H125 HydrophobicContact CG-CB 3.97Å
126Y96.6Very high86.8Confident58 Ų5879 Ų7923%0.22745%0.453CS..EExtended strand (participates in β ladder)trans-81.8149.2167.6-70.3-63.9000110.3R73 T75 L114 K116R73-Y126 HydrophobicContact CG-CD1 4.26Å; R73-Y126 HydrophobicContact CG-CG 4.4Å; T75-Y126 HydrophobicContact CG2-CD1 3.68Å; T75-Y126 HydrophobicContact CG2-CE1 3.69Å; L114-Y126 PolarHBondContact N-O 2.74Å; L114-Y126 PolarHBondContact O-N 2.93Å; K116-Y126 HydrophobicContact CG-CD2 3.81Å; K116-Y126 HydrophobicContact CG-CE2 3.94Å
127W97.9Very high86.6Confident43 Ų4377.6 Ų77.616%0.16345%0.447CS..EExtended strand (participates in β ladder)trans-121.4133.7170.4-64.489.9000108.5I66 R73 L74 L105 F111 I112 K113I66-W127 HydrophobicContact CD1-CB 4.49Å; R73-W127 CarbonylContact C-O 3.56Å; R73-W127 VanDerWaalsContact CA-O 3.23Å; R73-W127 WeakPolarHBondContact CA-O 3.35Å; L74-W127 PolarHBondContact N-O 2.74Å; L74-W127 PolarHBondContact O-N 2.97Å; L105-W127 HydrophobicContact CB-CD2 4.2Å; L105-W127 HydrophobicContact CB-CE3 4.15Å; L105-W127 HydrophobicContact CB-CH2 4.02Å; L105-W127 HydrophobicContact CB-CZ2 4.09Å; L105-W127 HydrophobicContact CB-CZ3 4.05Å; L105-W127 HydrophobicContact CD1-CD2 4.35Å; L105-W127 HydrophobicContact CD1-CG 4.37Å; L105-W127 HydrophobicContact CD2-CB 4.12Å; L105-W127 HydrophobicContact CD2-CD2 3.89Å; L105-W127 HydrophobicContact CD2-CE3 4.04Å; L105-W127 HydrophobicContact CD2-CG 3.92Å; L105-W127 HydrophobicContact CG-CD2 4.38Å; L105-W127 WeakPolarHBondContact O-CZ3 3.48Å; F111-W127 HydrophobicContact CB-CE3 4.11Å; F111-W127 HydrophobicContact CB-CZ3 4.5Å; I112-W127 WeakPolarHBondContact O-CA 3.42Å; K113-W127 HydrophobicContact CB-CE3 4.1Å; K113-W127 HydrophobicContact CB-CH2 3.95Å; K113-W127 HydrophobicContact CB-CZ2 4.37Å; K113-W127 HydrophobicContact CB-CZ3 3.8Å; K113-W127 HydrophobicContact CG-CH2 4.39Å; K113-W127 HydrophobicContact CG-CZ2 4.38Å
128T97.8Very high86.4Confident25 Ų2582.3 Ų82.315%0.15345%0.454CS..EExtended strand (participates in β ladder)trans-122.1164.5169.8-178.30000109K72 F111 I112 L114K72-T128 PolarHBondContact O-OG1 2.84Å; K72-T128 VanDerWaalsContact O-OG1 3.04Å; F111-T128 WeakPolarHBondContact CA-O 3.3Å; I112-T128 HydrophobicContact CD1-CG2 3.8Å; I112-T128 HydrophobicContact CG1-CG2 3.38Å; I112-T128 PolarHBondContact N-O 2.92Å; I112-T128 PolarHBondContact O-N 3.17Å; I112-T128 VanDerWaalsContact O-N 3.13Å; L114-T128 HydrophobicContact CD1-CG2 3.69Å; L114-T128 HydrophobicContact CD2-CG2 4.12Å; L114-T128 HydrophobicContact CG-CG2 3.84Å
129I97Very high86.5Confident3 Ų382.1 Ų82.12%0.01545%0.448CS..EExtended strand (participates in β ladder)trans-69.1142163.8-63.8157000107.7V63 I66 Q67 C110 F111 E134V63-I129 HydrophobicContact CB-CD1 4.35Å; V63-I129 HydrophobicContact CG1-CD1 3.87Å; V63-I129 HydrophobicContact CG2-CD1 4.3Å; V63-I129 HydrophobicContact CG2-CG1 4.28Å; I66-I129 HydrophobicContact CB-CD1 4.17Å; I66-I129 HydrophobicContact CB-CG1 4.29Å; I66-I129 HydrophobicContact CD1-CG1 4.33Å; I66-I129 HydrophobicContact CG2-CD1 3.95Å; I66-I129 HydrophobicContact CG2-CG1 3.97Å; Q67-I129 HydrophobicContact CG-CD1 3.69Å; C110-I129 WeakPolarHBondContact O-CA 3.42Å; F111-I129 HydrophobicContact CE1-CG1 4.49Å; I129-E134 HydrophobicContact CG2-CB 3.99Å; I129-E134 HydrophobicContact CG2-CG 4.36Å
130D96.3Very high86.4Confident41 Ų4180.7 Ų80.722%0.21943%0.433CS..  trans-69.5124.216816625.5000109.5C110 I112 A132 S133 E134C110-D130 PolarHBondContact O-N 3.19Å; I112-D130 HydrophobicContact CG2-CB 4.15Å; D130-A132 PolarHBondContact O-N 2.99Å; D130-A132 PolarHBondContact OD1-N 3.05Å; D130-S133 CarbonylContact O-C 3.6Å; D130-S133 WeakPolarHBondContact O-CA 3.45Å; D130-S133 WeakPolarHBondContact O-CB 3.31Å; D130-S133 PolarHBondContact O-N 2.94Å; D130-S133 PolarHBondContact O-OG 3.28Å; D130-E134 PolarHBondContact O-N 3.28Å; D130-E134 VanDerWaalsContact O-N 3.16Å
131P94.3Very high86.4Confident93 Ų9372.8 Ų72.860%0.60441%0.408SS*.Hα-helixtrans-53-34.7175.6-27.736.1000113.9S133 E134P131-S133 PolarHBondContact O-N 3.21Å; P131-E134 PolarHBondContact O-N 2.92Å
132A91.3Very high86.7Confident76 Ų7668.4 Ų68.463%0.62838%0.375SS*.Hα-helixtrans-71.31.4175.500000113.6D130 F135D130-A132 PolarHBondContact O-N 2.99Å; D130-A132 PolarHBondContact OD1-N 3.05Å; A132-F135 VanDerWaalsContact O-CE1 3.31Å; A132-F135 WeakPolarHBondContact O-CE1 3.46Å
133S89.4Confident86.5Confident3 Ų376.2 Ų76.22%0.02139%0.39CS..Hα-helixtrans-123.5-12.5177.181.70000114.5C110 D130 P131 F135 M136 F137C110-S133 WeakPolarHBondContact CA-OG 3.49Å; D130-S133 CarbonylContact O-C 3.6Å; D130-S133 WeakPolarHBondContact O-CA 3.45Å; D130-S133 WeakPolarHBondContact O-CB 3.31Å; D130-S133 PolarHBondContact O-N 2.94Å; D130-S133 PolarHBondContact O-OG 3.28Å; P131-S133 PolarHBondContact O-N 3.21Å; S133-F135 VanDerWaalsContact C-N 3.35Å; S133-F135 PolarHBondContact O-N 3.24Å; S133-M136 WeakPolarHBondContact O-CB 3.49Å; S133-M136 PolarHBondContact O-N 3.31Å; S133-M136 VanDerWaalsContact O-N 3.1Å; S133-F137 WeakPolarHBondContact O-CD2 3.45Å
134E88.9Confident85.8Confident66 Ų6674.7 Ų74.731%0.30838%0.378SS..Hα-helixtrans-62.9-38.6-168.6-173153.9-147.800112.8I129 D130 P131 M136 F137 E138I129-E134 HydrophobicContact CG2-CB 3.99Å; I129-E134 HydrophobicContact CG2-CG 4.36Å; D130-E134 PolarHBondContact O-N 3.28Å; D130-E134 VanDerWaalsContact O-N 3.16Å; P131-E134 PolarHBondContact O-N 2.92Å; E134-M136 PolarHBondContact O-N 3.13Å; E134-F137 PolarHBondContact O-N 2.95Å; E134-E138 PolarHBondContact O-N 3.49Å
135F86.4Confident84.8Confident143 Ų14378.3 Ų78.363%0.62738%0.379SS*.Hα-helixtrans-55.3-23.1175.974.3-96.1000114.1A132 S133 F137A132-F135 VanDerWaalsContact O-CE1 3.31Å; A132-F135 WeakPolarHBondContact O-CE1 3.46Å; S133-F135 VanDerWaalsContact C-N 3.35Å; S133-F135 PolarHBondContact O-N 3.24Å; F135-F137 PolarHBondContact O-N 3.11Å
136M83.4Confident83.6Confident35 Ų3579.8 Ų79.817%0.17240%0.395CS..Hα-helixtrans-69.8-11.9178.1-69.9-169.9-79.700113.6S133 E134S133-M136 WeakPolarHBondContact O-CB 3.49Å; S133-M136 PolarHBondContact O-N 3.31Å; S133-M136 VanDerWaalsContact O-N 3.1Å; E134-M136 PolarHBondContact O-N 3.13Å
137F82.6Confident81.8Confident19 Ų1989.1 Ų89.18%0.08343%0.43CS..Hα-helixtrans-125.7-13-171.9-51.4-74.8000114.5I59 V63 C110 S133 E134 F135 F142I59-F137 HydrophobicContact CG2-CE1 4.01Å; I59-F137 HydrophobicContact CG2-CZ 3.79Å; V63-F137 HydrophobicContact CB-CD1 4.41Å; V63-F137 HydrophobicContact CB-CG 4.42Å; V63-F137 HydrophobicContact CG1-CB 3.7Å; V63-F137 HydrophobicContact CG1-CD1 4.09Å; V63-F137 HydrophobicContact CG1-CD2 4.18Å; V63-F137 HydrophobicContact CG1-CG 3.72Å; V63-F137 HydrophobicContact CG2-CD1 4.04Å; V63-F137 HydrophobicContact CG2-CD2 3.99Å; V63-F137 HydrophobicContact CG2-CE1 3.98Å; V63-F137 HydrophobicContact CG2-CE2 3.93Å; V63-F137 HydrophobicContact CG2-CG 4.04Å; V63-F137 HydrophobicContact CG2-CZ 3.93Å; C110-F137 HydrophobicContact CB-CE2 4.49Å; S133-F137 WeakPolarHBondContact O-CD2 3.45Å; E134-F137 PolarHBondContact O-N 2.95Å; F135-F137 PolarHBondContact O-N 3.11Å; F137-F142 HydrophobicContact CB-CE1 4.21Å; F137-F142 WeakPolarHBondContact O-CZ 3.34Å
138E76.8Confident80Confident156 Ų15688.8 Ų88.873%0.72944%0.44SS*.Hα-helixtrans-66.2-42.2-178.8-170165.6-151.100112.3E134 G140E134-E138 PolarHBondContact O-N 3.49Å; E138-G140 PolarHBondContact O-N 3.28Å
139E72Confident78Confident177 Ų17793.9 Ų93.983%0.82746%0.46SS*.THydrogen-bonded Turntrans-73.827.8179.7-155.9-174-149.600114S141E139-S141 PolarHBondContact O-N 3.2Å
140G70.3Confident76.1Confident46 Ų46101.4 Ų101.447%0.47449%0.488SS..SBendtrans65.78.1178.900000115.8E138 F142E138-G140 PolarHBondContact O-N 3.28Å; G140-F142 WeakPolarHBondContact O-CD2 3.43Å; G140-F142 PolarHBondContact O-N 3.38Å
141S74.6Confident74.1Confident33 Ų33109 Ų10923%0.23151%0.514CS..  trans-70.941-174.5175.70000114.6E139 R143 R145E139-S141 PolarHBondContact O-N 3.2Å; S141-R143 VanDerWaalsContact C-N 3.27Å; S141-R143 PolarHBondContact O-N 2.81Å; S141-R145 PolarHBondContact OG-NE 3.04Å; S141-R145 PolarHBondContact OG-NH2 3.4Å
142F78.9Confident71.9Confident43 Ų43113.2 Ų113.219%0.18952%0.523CS..  trans-71.4-17.9178.6-56.8-68.4000113.9Y56 A60 V63 M64 F137 G140Y56-F142 HydrophobicContact CD1-CB 3.85Å; Y56-F142 HydrophobicContact CE1-CB 3.83Å; A60-F142 HydrophobicContact CB-CB 4.22Å; A60-F142 HydrophobicContact CB-CD1 4.3Å; A60-F142 WeakPolarHBondContact CB-O 3.13Å; V63-F142 HydrophobicContact CG1-CE1 3.97Å; M64-F142 HydrophobicContact CG-CD1 3.86Å; M64-F142 HydrophobicContact CG-CE1 3.83Å; M64-F142 HydrophobicContact CG-CG 4.35Å; M64-F142 HydrophobicContact CG-CZ 4.29Å; M64-F142 HydrophobicContact SD-CD1 4.42Å; M64-F142 HydrophobicContact SD-CG 4.37Å; F137-F142 HydrophobicContact CB-CE1 4.21Å; F137-F142 WeakPolarHBondContact O-CZ 3.34Å; G140-F142 WeakPolarHBondContact O-CD2 3.43Å; G140-F142 PolarHBondContact O-N 3.38Å
143R74.9Confident70.2Confident212 Ų212113.4 Ų113.480%0.852%0.518SS*.BIsolated β-bridgetrans-67.4143.9176.4-64.9-177.873.2-151.44.4110.8S141 R145S141-R143 VanDerWaalsContact C-N 3.27Å; S141-R143 PolarHBondContact O-N 2.81Å; R143-R145 PolarHBondContact O-N 2.95Å; R143-R145 VanDerWaalsContact O-N 3.14Å
144R68.8Low68.5Low171 Ų171119.7 Ų119.765%0.64555%0.548SS*.  trans-67.2111.3-178.9-62.3-174.966.1-161.40.2111.3
145R69Low66.9Low121 Ų121120.5 Ų120.546%0.45757%0.566SS.*  trans-61.1137.5169-59.2-176.6-170.7170.85.3109.9S141 R143S141-R145 PolarHBondContact OG-NE 3.04Å; S141-R145 PolarHBondContact OG-NH2 3.4Å; R143-R145 PolarHBondContact O-N 2.95Å; R143-R145 VanDerWaalsContact O-N 3.14Å
146P67.9Low65.6Low111 Ų111121.1 Ų121.172%0.72157%0.574SS**  trans-58.7152.6179.5-2735.6000114G148P146-G148 PolarHBondContact O-N 2.95Å
147R59.3Low64Low255 Ų255127.6 Ų127.696%0.96260%0.602SS**THydrogen-bonded Turntrans-69.277.1175.9-70.5-166.9-169.1-106.515.9111.2
148G59.7Low62.3Low36 Ų36131.1 Ų131.137%0.37163%0.627SS.*THydrogen-bonded Turntrans-172-34176.100000113.5P146 R150 R151P146-G148 PolarHBondContact O-N 2.95Å; G148-R150 VanDerWaalsContact C-N 3.35Å; G148-R150 PolarHBondContact O-N 3.41Å; G148-R151 PolarHBondContact O-N 3.42Å
149F56.8Low61Low132 Ų132131.2 Ų131.258%0.57963%0.629SS**THydrogen-bonded Turntrans-57.2-40.3-174.2-166.5-97.3000114R151 K152F149-R151 PolarHBondContact O-N 3.13Å; F149-R151 VanDerWaalsContact O-N 3.13Å; F149-K152 PolarHBondContact O-N 3.3Å
150R56Low60.1Low161 Ų161131.6 Ų131.661%0.60862%0.624SS**Hα-helixtrans-60.7-21.3-177.8-92.5-81-178.5159.7-2.3114.9G148 K152 C153G148-R150 VanDerWaalsContact C-N 3.35Å; G148-R150 PolarHBondContact O-N 3.41Å; R150-K152 VanDerWaalsContact C-N 3.33Å; R150-K152 PolarHBondContact O-N 3.15Å; R150-C153 PolarHBondContact O-N 3.25Å
151R54.4Low59.3Low201 Ų201134.6 Ų134.676%0.75864%0.638SS**Hα-helixtrans-65.7-31.4-178.9-76-165.4-71.4174-4.2113.4G148 F149G148-R151 PolarHBondContact O-N 3.42Å; F149-R151 PolarHBondContact O-N 3.13Å; F149-R151 VanDerWaalsContact O-N 3.13Å
152K49.9Very low58.3Low180 Ų180139.8 Ų139.878%0.78366%0.66SS**Hα-helixtrans-71.5-35.1-178.8-66.1-164.8175.4-169.50112.8F149 R150 Q154 A155F149-K152 PolarHBondContact O-N 3.3Å; R150-K152 VanDerWaalsContact C-N 3.33Å; R150-K152 PolarHBondContact O-N 3.15Å; K152-Q154 VanDerWaalsContact C-N 3.3Å; K152-Q154 PolarHBondContact O-N 2.96Å; K152-A155 PolarHBondContact O-N 3.14Å
153C53.6Low57.1Low80 Ų80146 Ų14654%0.54169%0.692SS.*Hα-helixtrans-73.7-17.3-178.7-53.20000114.1R150R150-C153 PolarHBondContact O-N 3.25Å
154Q54.6Low56Low136 Ų136143.2 Ų143.264%0.63669%0.693SS**Hα-helixtrans-84.9-20.8177.8-73.2179.2-33.800112.9K152 L156 K157K152-Q154 VanDerWaalsContact C-N 3.3Å; K152-Q154 PolarHBondContact O-N 2.96Å; Q154-L156 PolarHBondContact O-N 3.27Å; Q154-K157 PolarHBondContact O-N 3.05Å
155A55.8Low55.2Low83 Ų83138.6 Ų138.669%0.68670%0.698SS**THydrogen-bonded Turntrans-70.1-7.5179.500000114.4K152K152-A155 PolarHBondContact O-N 3.14Å
156L58.5Low54.5Low155 Ų155140.8 Ų140.881%0.81272%0.718SS**THydrogen-bonded Turntrans-99.98.4176.6-69.2173.1000113.6Q154 P158Q154-L156 PolarHBondContact O-N 3.27Å; L156-P158 WeakPolarHBondContact O-CD 3.36Å
157K49.4Very low53.6Low171 Ų171139.2 Ų139.274%0.74372%0.722SS**SBendtrans-84.6113.5162.8-73.3-165.3171.6-167.20108.4Q154Q154-K157 PolarHBondContact O-N 3.05Å
158P47Very low52.7Low94 Ų94135.8 Ų135.861%0.6172%0.715SS**  trans-63.6147.1-178.323.1-30.7000111.5L156 Y160L156-P158 WeakPolarHBondContact O-CD 3.36Å; P158-Y160 HydrophobicContact CB-CD1 4.36Å; P158-Y160 HydrophobicContact CG-CD1 4Å; P158-Y160 HydrophobicContact CG-CE1 4.04Å; P158-Y160 WeakPolarHBondContact O-CD1 3.4Å; P158-Y160 PolarHBondContact O-N 3.2Å
159M50.3Low52.3Low157 Ų157142.3 Ų142.377%0.77374%0.741SS**THydrogen-bonded Turntrans-82.244.5-165.9-82-174.5152.400114.9M162M159-M162 HydrophobicContact CB-CE 4.03Å; M159-M162 HydrophobicContact CE-CE 4Å; M159-M162 HydrophobicContact CG-CE 4.01Å; M159-M162 HydrophobicContact SD-CE 3.62Å
160Y52.7Low51.5Low186 Ų186142.7 Ų142.773%0.72974%0.744SS**THydrogen-bonded Turntrans-82.2-18.3176.567.3-89.4000113.9P158 M162P158-Y160 HydrophobicContact CB-CD1 4.36Å; P158-Y160 HydrophobicContact CG-CD1 4Å; P158-Y160 HydrophobicContact CG-CE1 4.04Å; P158-Y160 WeakPolarHBondContact O-CD1 3.4Å; P158-Y160 PolarHBondContact O-N 3.2Å; Y160-M162 VanDerWaalsContact C-N 3.25Å; Y160-M162 PolarHBondContact O-N 3.09Å; Y160-M162 VanDerWaalsContact O-N 3.14Å
161S52.5Low51.4Low108 Ų108142.4 Ų142.476%0.75575%0.753SS**THydrogen-bonded Turntrans-74.60.2-171.1-169.10000116
162M55.5Low51.1Low143 Ų143137.4 Ų137.470%0.70475%0.747SS**THydrogen-bonded Turntrans-124.311.8-173.862.3-171.3-177.500115.3M159 Y160M159-M162 HydrophobicContact CB-CE 4.03Å; M159-M162 HydrophobicContact CE-CE 4Å; M159-M162 HydrophobicContact CG-CE 4.01Å; M159-M162 HydrophobicContact SD-CE 3.62Å; Y160-M162 VanDerWaalsContact C-N 3.25Å; Y160-M162 PolarHBondContact O-N 3.09Å; Y160-M162 VanDerWaalsContact O-N 3.14Å
163M53.5Low50.9Low173 Ų173137.8 Ų137.885%0.85275%0.751SS**SBendtrans-110.545.9170.7-165.368.893.600111.2
164N50.9Low50.1Low153 Ų153137.6 Ų137.682%0.81876%0.755SS**  trans-132.816.6-175.1-139.3111.9000113.6
165G52.8Low49.4Very low74 Ų74140.7 Ų140.776%0.76376%0.762SS**SBendtrans-117.76.5-174.500000115.5
166L53.4Low48.5Very low167 Ų167144 Ų14487%0.87477%0.769SS**SBendtrans-129.8113.7173.5-67.3174.8000108.2
167G49.1Very low47.6Very low78 Ų78146.9 Ų146.980%0.80477%0.77SS**  trans-83.4129.2177.700000111.1
168F41.3Very low47.1Very low184 Ų184147.5 Ų147.581%0.80778%0.776SS**  trans-144.7114.9164.7-143.3-94000110.2H170F168-H170 HydrophobicContact CD1-CB 3.98Å; F168-H170 HydrophobicContact CE1-CB 4.27Å; F168-H170 PolarHBondContact O-N 3.47Å
169N50.9Low46.4Very low173 Ų173146.7 Ų146.793%0.92579%0.785SS**  trans-81.493.6172.5-73.3-61.5000108.6
170H39.1Very low45.9Very low140 Ų140145.6 Ų145.665%0.64879%0.792SS**  trans-150110.4165.5-159-76.8000111.6F168F168-H170 HydrophobicContact CD1-CB 3.98Å; F168-H170 HydrophobicContact CE1-CB 4.27Å; F168-H170 PolarHBondContact O-N 3.47Å
171I54Low45Very low154 Ų154140.2 Ų140.279%0.7979%0.793SS**PPolyproline II helixtrans-86.9123.4167-61.2173.2000107.2
172P49Very low44.2Very low97 Ų97139.2 Ų139.263%0.6380%0.801SS**PPolyproline II helixtrans-83.6132.2163.8-4.123.4000109.8A174P172-A174 PolarHBondContact O-N 2.98Å
173E44.9Very low43.2Very low188 Ų188135.7 Ų135.788%0.87980%0.801SS**PPolyproline II helixtrans-52.8119.7176.9-161.872.4-170.700111.9
174A36.3Very low42.5Very low75 Ų75136.3 Ų136.362%0.6281%0.806SS**  trans-106.187.118000000111.1P172P172-A174 PolarHBondContact O-N 2.98Å
175Y40.8Very low41.8Very low201 Ų201134.5 Ų134.579%0.78881%0.806SS**  trans20.8109.316053-87.1000117.7Y177Y175-Y177 PolarHBondContact O-N 2.81Å
176N37.3Very low41.2Very low153 Ų153136.2 Ų136.282%0.81881%0.805SS**  trans-60.8125.9166.7-166.6-62000110.4
177Y38.3Very low41.1Very low216 Ų216133.4 Ų133.485%0.84780%0.797SS**  trans-134.1131.6166.8-146.8-91.4000110.5Y175 G179Y175-Y177 PolarHBondContact O-N 2.81Å; Y177-G179 PolarHBondContact O-N 3.22Å
178Q39.4Very low41Very low184 Ų184135.7 Ų135.786%0.8680%0.797SS**  trans-84.9112.8-160.2-167.2163.5-90.900112.1
179G32.3Very low40.8Very low77 Ų77134.6 Ų134.679%0.79480%0.8SS**  trans-128.2127.8174.700000111.1Y177Y177-G179 PolarHBondContact O-N 3.22Å
180S39.1Very low40Very low133 Ų133131.2 Ų131.293%0.9379%0.79SS**  trans-111.2143-173.5-175.10000112.1
181G34.5Very low40.1Very low73 Ų73133 Ų13375%0.75380%0.803SS**  trans134.490.9158.100000117.5
182G35.4Very low39.3Very low88 Ų88130.9 Ų130.991%0.90780%0.802SS**  trans73.9158.6161.600000116.9
183G35.9Very low38.9Very low69 Ų69134.5 Ų134.571%0.71182%0.815SS**  cis169.6157.9-7.600000112.9
184L38.9Very low38.7Very low185 Ų185132.7 Ų132.797%0.96981%0.812SS**  trans78.7142.5175.1-50.2-179.5000118.2
185S35.3Very low38.8Very low115 Ų115134.6 Ų134.680%0.80482%0.82SS**  trans-94.6-177.1179.954.20000110.6
186C39.2Very low38.5Very low111 Ų111128.2 Ų128.275%0.7582%0.816SS**  cis-158.4172.927.760.80000112.4
187P51.6Low38.6Very low108 Ų108128.7 Ų128.770%0.70182%0.817SS**PPolyproline II helixtrans-94.7161.3-170.237.3-35.3000114.9
188P48.6Very low38.4Very low125 Ų125121.2 Ų121.281%0.81281%0.806SS**PPolyproline II helixtrans-79.3146.5167.133.4-33.7000112.2
189N35.6Very low38.8Very low161 Ų161120 Ų12086%0.86180%0.802SS**PPolyproline II helixtrans-75.7151.2-176.2-88.8-21.5000114.6
190S34.9Very low39.1Very low103 Ų103123.6 Ų123.672%0.7280%0.8SS**PPolyproline II helixtrans-73.3149.2158.6176.60000111.2
191L41.3Very low38.9Very low176 Ų176125 Ų12592%0.92180%0.797SS**  trans-131.3140.3158-75177000108.8
192S37.3Very low38.7Very low110 Ų110124.5 Ų124.577%0.76979%0.792SS**  trans-117.4140.7-169.1-175.10000112.1
193L40.5Very low38.9Very low173 Ų173129.5 Ų129.591%0.90679%0.792SS**  trans-168.9129.8168.5-131.973.4000105.7
194D40.3Very low38.8Very low150 Ų150134 Ų13480%0.80280%0.798SS**  cis-151.2167.1-10.1-179.5-149.9000108.3
195S38.5Very low38.6Very low115 Ų115130.3 Ų130.380%0.80480%0.795SS**  trans-101.6132.1-178.6-62.50000113.6
196G34.3Very low38.5Very low68 Ų68128.8 Ų128.870%0.70180%0.797SS**  trans-178.8119.716400000116.6
197I40.3Very low38.4Very low162 Ų162130.6 Ų130.683%0.83180%0.8SS**  trans54.6112.3151-44.1174.7000115.4M199I197-M199 HydrophobicContact CG2-CE 4.26Å
198G33.1Very low37.7Very low60 Ų60133 Ų13362%0.61980%0.803SS**  cis100.6117.224.500000111.3
199M46.8Very low37.1Very low157 Ų157134.3 Ų134.377%0.77380%0.803SS**  trans178.4112146.8-101169.9-76.800113.8I197I197-M199 HydrophobicContact CG2-CE 4.26Å
200M39.5Very low37.1Very low154 Ų154130.6 Ų130.676%0.75980%0.803SS**  trans21.5152.6144.467.5-161.617100125.2
201N35.3Very low37.3Very low162 Ų162135.4 Ų135.487%0.86682%0.817SS**  trans64.8134.4166.3-72.8-6.3000118.2
202G30Very low37Very low63 Ų63130.9 Ų130.965%0.64981%0.813SS**  cis113.1113.6-12.600000115.7
203H38.8Very low37Very low193 Ų193133.7 Ų133.789%0.89482%0.818SS**  trans-160.9150145.4-126.6-86.6000110.9
204L35.1Very low36.7Very low162 Ų162131.1 Ų131.185%0.84882%0.815SS**  trans-111.4170.9175.8-92.783.9000111.8
205A34.7Very low36.3Very low109 Ų109127.2 Ų127.290%0.90181%0.809SS**  trans95.3137.2152.200000118.5
206G33Very low36.2Very low83 Ų83131.4 Ų131.486%0.85682%0.816SS**  trans155.874.5-178.100000111.9
207N36.5Very low36.3Very low149 Ų149133.6 Ų133.680%0.79782%0.821SS**  trans-120128.9-175.8172.495000111.1
208M37.2Very low36.1Very low158 Ų158135 Ų13578%0.77883%0.826SS**  177.2144.3127.963.1-176.7-151.500113.9
209D37Very low36.1Very low152 Ų152137.9 Ų137.981%0.81384%0.836SS**  trans42.1133.4137.2-50.1-26.4000123.2
210G35.1Very low35.7Very low83 Ų83137.5 Ų137.586%0.85683%0.833SS**  trans169.1106.3163.300000114.3
211M38.8Very low35.6Very low205 Ų205138.2 Ų138.2100%1.0184%0.838SS**  trans-91.9138.9174.8-68.1175.1176.100111.5
212G35.9Very low35.4Very low81 Ų81135.2 Ų135.284%0.83583%0.83SS**  trans-161.7123.5178.900000113.7
213L35.7Very low35.5Very low168 Ų168135.5 Ų135.588%0.8883%0.834SS**  trans-79.8161.1-169.2-67163.9000115.4
214S35.7Very low35.3Very low120 Ų120133.4 Ų133.484%0.83983%0.829SS**  trans74128.1145.8-66.50000121.6
215G30.8Very low35.3Very low67 Ų67130.6 Ų130.669%0.69182%0.823SS**  trans108.2101.2140.300000116.6
216H36.6Very low35.3Very low204 Ų204128.2 Ų128.294%0.94481%0.809SS**  trans-120.2102.5166.5-57.1-28.4000109.2
217S36.3Very low35.7Very low114 Ų114133 Ų13380%0.79781%0.809SS**  trans-95.8156.3178.346.70000112
218M36.7Very low35.6Very low191 Ų191131.1 Ų131.194%0.94181%0.807SS**  trans-66.1129.9179.3-79.1-77-174.600112.5H220M218-H220 PolarHBondContact O-N 3.29Å
219S32Very low35.8Very low120 Ų120134.6 Ų134.684%0.83981%0.813SS**  trans-93.783.9171.6-66.30000111.9
220H38.8Very low35.9Very low150 Ų150135.4 Ų135.469%0.69481%0.814SS**  trans-87.6129.6154149.6-85.9000108.5M218 S222M218-H220 PolarHBondContact O-N 3.29Å; H220-S222 PolarHBondContact NE2-N 3.14Å
221L37.2Very low35.9Very low168 Ų168135.2 Ų135.288%0.8881%0.812SS**  trans-145.294.3168.2-100161.9000111.2
222S31.7Very low35.8Very low99 Ų99131.2 Ų131.269%0.69280%0.804SS**  trans-106.1142.2149.5-1790000107.9H220H220-S222 PolarHBondContact NE2-N 3.14Å
223G32.6Very low35.7Very low70 Ų70132.5 Ų132.572%0.72280%0.799SS**  trans148.995.1175.200000115.6
224N33.9Very low35.9Very low148 Ų148131 Ų13179%0.79180%0.798SS**  trans-72.7142.8165.8150.189.2000111.9
225S35.6Very low35.6Very low103 Ų103129.7 Ų129.772%0.7279%0.794SS**  trans172.8136.4135.3-78.30000115.6
226G35Very low35.9Very low59 Ų59131.6 Ų131.661%0.60880%0.797SS**  trans75.7163.8154.400000118.2
227H40.3Very low35.8Very low184 Ų184128.8 Ų128.885%0.85279%0.794SS**  cis-168.9164.8-6.2-85.4-52.5000107.4
228S34.8Very low35.7Very low109 Ų109126.6 Ų126.676%0.76279%0.79SS**  cis-166.5156.8-11.3-98.80000109.7
229Y41.1Very low35.5Very low232 Ų232123.6 Ų123.691%0.9179%0.787SS**  trans-154.4161.3167.7167-125.4000109.7
230M40.5Very low35.8Very low168 Ų168124.6 Ų124.683%0.82878%0.783SS**  trans-117.8159.2-154-55.6175.170.200114.7
231G33.9Very low35.8Very low79 Ų79127.4 Ų127.481%0.81479%0.789SS**  trans165.1104.6161.100000115.7
232S36.3Very low36.5Very low122 Ų122125.3 Ų125.385%0.85379%0.785SS**  trans-59.6156.8169.1-52.40000111.7
233C34.8Very low37.1Very low108 Ų108127.3 Ų127.373%0.7378%0.784SS**  -166.9164.555.553.70000116.2
234T38.8Very low37.5Very low137 Ų137132.7 Ų132.784%0.8479%0.79SS**  trans46119.9153.849.60000121.1
235A31Very low37.7Very low92 Ų92131.9 Ų131.976%0.7679%0.785SS**  trans-109.7158.1160.200000111.1
236S35.6Very low37.9Very low107 Ų107134.7 Ų134.775%0.74879%0.792SS**  trans166.5142.1134.8-76.60000112.9
237T34.8Very low38.3Very low144 Ų144137 Ų13788%0.88380%0.799SS**  trans51.8137.3154.453.50000119.8
238G33.8Very low38.2Very low69 Ų69133.1 Ų133.171%0.71180%0.799SS**  cis115.8102.83.700000113
239S33.8Very low38.6Very low127 Ų127133.5 Ų133.589%0.88880%0.802SS**  trans-170.7159.7167.2-79.20000110.9
240D38.1Very low39.2Very low142 Ų142128.2 Ų128.276%0.75980%0.796SS**  trans-98.4165.6-170.9-76.6-92.8000115.6
241Y38.5Very low39.1Very low208 Ų208127.9 Ų127.982%0.81680%0.796SS**  trans5.6148.2151.7-70.6-74.5000121
242P51.6Low39.5Very low124 Ų124131.1 Ų131.181%0.80579%0.794SS**  cis-148.4175.948.541.7-21.1000120.5
243H44.7Very low39.6Very low141 Ų141131.9 Ų131.965%0.65379%0.794SS**  trans-25139.9165.9-152.6-78.6000119D245H243-D245 IonicContact CE1-OD2 3.33Å; H243-D245 PolarHBondContact CE1-OD2 3.42Å; H243-D245 IonicContact ND1-OD2 3.72Å
244H40.7Very low39.7Very low184 Ų184131.8 Ų131.885%0.85279%0.794SS**  trans-169.1139.8138.5-107.5-66.9000113.3
245D37.8Very low39.4Very low131 Ų131129.1 Ų129.170%0.70179%0.794SS**  trans-77.5149170.6-46.7-111.6000112.5H243H243-D245 IonicContact CE1-OD2 3.33Å; H243-D245 PolarHBondContact CE1-OD2 3.42Å; H243-D245 IonicContact ND1-OD2 3.72Å
246N40.8Very low39.5Very low162 Ų162128.4 Ų128.487%0.86680%0.796SS**  -172.1167.9124.3-154.10.6000112.3
247S43.6Very low39.6Very low107 Ų107129.1 Ų129.175%0.74880%0.795SS**  trans-97.9148173.8-55.20000112.9
248A36.4Very low39.7Very low102 Ų102130.3 Ų130.384%0.84379%0.793SS**  trans-178.3149.2139.800000112.7
249S43.9Very low39.8Very low118 Ų118134.2 Ų134.283%0.82579%0.793SS**  trans-99149.7166.4-53.20000111
250P52.9Low40.5Very low121 Ų121133 Ų13379%0.78678%0.782SS**  trans-98.7154.7171.936.5-32.9000114.2
251L39.1Very low40.4Very low161 Ų161133.9 Ų133.984%0.84378%0.781SS**  trans-146.7168.2169.4-60.9174.4000106.8
252L43.3Very low40.7Very low147 Ų147130 Ų13077%0.7778%0.781SS**  cis-140.4178.712.5-71.2161.2000109.1
253T37.3Very low40.1Very low138 Ų138130.6 Ų130.685%0.84778%0.782SS**  trans76.5152147.8-1170000116.8
254S37.5Very low39.7Very low105 Ų105134 Ų13473%0.73479%0.791SS**  cis-158.8164.3-5.650.40000109.4
255G32.8Very low39.5Very low82 Ų82130.5 Ų130.585%0.84579%0.787SS**  cis141.9120.6-5.100000113.8
256G32.2Very low39.6Very low76 Ų76129.3 Ų129.378%0.78479%0.789SS**  trans144.8172.3174.400000112.7
257V37.7Very low39.4Very low123 Ų123127.2 Ų127.275%0.74579%0.787SS**  cis-171.8158.2-40.560.40000108.5
258M38.3Very low39.2Very low169 Ų169126.3 Ų126.383%0.83379%0.786SS**  trans91.3129.7174.2-44.5-52.4174.600120.2
259E35.3Very low39.4Very low151 Ų151127.3 Ų127.371%0.70679%0.787SS**  trans-84.1172.5163.5-166.949.3-131.400107.9H261E259-H261 PolarHBondContact OE1-N 3.4Å; E259-H261 VanDerWaalsContact OE1-N 3.1Å; E259-H261 IonicContact OE1-ND1 3.87Å
260P47.3Very low39Very low101 Ų101125.9 Ų125.966%0.65678%0.782SS**  cis-146162.626.743.9-23.4000121.3
261H35.8Very low38.3Very low161 Ų161131.8 Ų131.875%0.74579%0.789SS**  trans55.5140.8145.5-65.8-32.2000123.6E259E259-H261 PolarHBondContact OE1-N 3.4Å; E259-H261 VanDerWaalsContact OE1-N 3.1Å; E259-H261 IonicContact OE1-ND1 3.87Å
262P45.2Very low38.1Very low125 Ų125127.9 Ų127.981%0.81278%0.78SS**  trans-100.5165.7179.440-36.3000115.5
263V40Very low37.8Very low137 Ų137126.3 Ų126.383%0.8378%0.782SS**  trans-130.1126.7177176.10000112.5
264Y36.5Very low38Very low212 Ų212124.3 Ų124.383%0.83178%0.779SS**  trans21.9119.3155-103.9-101.7000121
265S36.5Very low39.2Very low112 Ų112124.8 Ų124.878%0.78378%0.779SS**  179.9150.199.5-770000114.4
266S38.7Very low40Very low106 Ų106127.2 Ų127.274%0.74178%0.78SS**  trans-66.1156.5-179.8-51.10000113.5
267S37.9Very low40.5Very low118 Ų118128 Ų12883%0.82578%0.779SS**  175.9158.168.9390000110.6
268A38.1Very low40.6Very low88 Ų88127.5 Ų127.573%0.72778%0.781SS**  cis-158.3165.6-14.900000110.9
269S41Very low40.6Very low122 Ų122126.8 Ų126.885%0.85378%0.78SS**  trans12140.9152.1-520000120.9
270A36.5Very low40.7Very low88 Ų88126 Ų12673%0.72778%0.781SS**  cis-168.3-168.5-8.700000106.6
271W36.8Very low40Very low245 Ų245128.3 Ų128.393%0.92879%0.787SS**  cis-154.2-178.67.247.3-77.2000108.7
272A36.1Very low39.8Very low80 Ų80124.5 Ų124.566%0.66179%0.792SS**  trans-133.6144.3-166.400000117.4
273S36.6Very low39.6Very low114 Ų114123.2 Ų123.280%0.79779%0.791SS**  trans43.6102139.5-56.20000123.6
274A40.2Very low39.6Very low95 Ų95122.1 Ų122.179%0.78579%0.79SS**  69.9-170.9120.300000118.6
275P63Low39.6Very low116 Ų116121.2 Ų121.275%0.75379%0.786SS**  -130.5174-115.539-19.3000116.4
276P50.6Low39.9Very low133 Ų133123 Ų12386%0.86479%0.785SS**  trans-126.8174.2156.539.1-27.5000113.5
277A42.9Very low39.7Very low91 Ų91125.7 Ų125.775%0.75278%0.784SS**  trans-146.4162.1178.600000113.5
278S38.8Very low39.6Very low113 Ų113126.5 Ų126.579%0.7977%0.774SS**  trans87.3154.5161.782.50000120.9
279L38.8Very low39.8Very low155 Ų155129.7 Ų129.781%0.81277%0.774SS**  trans84.978.8159.2-67.3162.9000122.2
280N36.4Very low40.6Very low135 Ų135128.6 Ų128.672%0.72277%0.765SS**  79.1158.3111.3-161.238.1000122.8
281N33.9Very low40.5Very low149 Ų149132.1 Ų132.180%0.79777%0.77SS**  trans77.8144.1162.5-90.3-1.4000120.8
282G30.5Very low40.7Very low81 Ų81125.8 Ų125.884%0.83576%0.763SS**  trans119.290.2157.200000116.1
283A42.6Very low41.9Very low97 Ų97127.8 Ų127.880%0.80277%0.769SS**  trans-97.2152.7165.100000111.1
284S38.3Very low41.5Very low114 Ų114128.8 Ų128.880%0.79778%0.775SS**  trans-140.2146.8171.7-75.30000112.2
285Y37.1Very low41.4Very low194 Ų194131.6 Ų131.676%0.76178%0.777SS**  trans-110.9-170.6-157.137.7-105.9000114.2
286I42.9Very low41.2Very low148 Ų148131.4 Ų131.476%0.75978%0.775SS**  trans84.7142.6169.9-85.9171.8000114.1
287K34Very low40.3Very low164 Ų164128.3 Ų128.371%0.71377%0.768SS**  cis178.1147.8-3.6175175.7-173.9-175.30107.8
288Q37.5Very low39.9Very low134 Ų134128.9 Ų128.963%0.62677%0.772SS**  cis-151.7151.5-5.6-123.8175.7-75.800107.8
289Q42.3Very low39.8Very low155 Ų155130.6 Ų130.672%0.72477%0.773SS**  52.7157.4103.4-76.3-168.2-17.100119.7
290P57.9Low39.4Very low100 Ų100127.4 Ų127.465%0.64976%0.764SS**  cis-143.3-179.8-43.738.4-19.5000114
291L34Very low39.4Very low162 Ų162128.8 Ų128.885%0.84877%0.77SS**  trans147.6161.9136.1-78.8176.5000113.8
292S39.5Very low39.8Very low111 Ų111129.7 Ų129.778%0.77677%0.769SS**  trans-147.9-165.4-175.1-55.80000108.5
293P61.1Low40.7Very low122 Ų122131.4 Ų131.479%0.79277%0.766SS**  -125156.5-66.634.8-20.7000112.8
294C29.6Very low40.3Very low135 Ų135131.9 Ų131.991%0.91276%0.763SS**  trans-157.9162.216358.60000115.1
295N37Very low40.6Very low154 Ų154133.5 Ų133.582%0.82476%0.763SS**  trans-161.3170.6179.1-163.432.8000105.2
296P60.3Low41.4Very low112 Ų112129.8 Ų129.873%0.72776%0.762SS**  cis-120.4-177.8-31.339-25.3000113.1
297G30.8Very low41.3Very low69 Ų69127.7 Ų127.771%0.71176%0.756SS**  trans114.8159.613700000119.9
298A35.4Very low41.3Very low102 Ų102129.2 Ų129.284%0.84377%0.766SS**  trans66.6144166.600000118.3
299N35.3Very low41Very low149 Ų149128.1 Ų128.180%0.79777%0.773SS**  cis-158.3164.3-20.1-143-16.3000112.2
300S31.3Very low41.2Very low89 Ų89128.4 Ų128.462%0.62278%0.778SS**  trans32.9128.7151.462.50000122.5
301L36.3Very low40Very low164 Ų164129.4 Ų129.486%0.85978%0.778SS**  -167.2142.1107.3-100.8167.1000112.7
302Q41.6Very low40.2Very low167 Ų167129.1 Ų129.178%0.7877%0.773SS**  trans-139.3144.3173.2-85.1-81.1-59.600107.1
303P50.8Low39.8Very low117 Ų117127.7 Ų127.776%0.7676%0.762SS**  -140.2172.7103.515.67.8000112.6
304S32.8Very low38.4Very low107 Ų107131.9 Ų131.975%0.74876%0.764SS**  cis-161.3150.2-3.137.50000111.7
305L44.3Very low38.9Very low149 Ų149131 Ų13178%0.7875%0.749SS**  trans-93.9169.3162.7-71.6170000109.6T307L305-T307 HydrophobicContact CB-CG2 4.36Å; L305-T307 HydrophobicContact CD1-CG2 4.41Å; L305-T307 HydrophobicContact CD2-CG2 4.14Å
306P54.2Low38.9Very low115 Ų115131.2 Ų131.275%0.74775%0.745SS**  -126.2165.650.7169.8000114
307T41.6Very low37.6Very low105 Ų105132.5 Ų132.564%0.64474%0.742SS**  cis81.4112.323.673.40000118.2L305L305-T307 HydrophobicContact CB-CG2 4.36Å; L305-T307 HydrophobicContact CD1-CG2 4.41Å; L305-T307 HydrophobicContact CD2-CG2 4.14Å
308H33.5Very low37.6Very low196 Ų196135.9 Ų135.991%0.90774%0.743SS**  trans-168.4166.9151.6-121.5-93.1000109.5
309S32.3Very low37.4Very low111 Ų111133.7 Ų133.778%0.77673%0.731SS**  -154167.5-69.2-165.80000107.6
310L45.3Very low37.3Very low160 Ų160136 Ų13684%0.83874%0.736SS**  trans-136.8124.5-174.3-164.7161.1000111.6
311D33.5Very low37.3Very low122 Ų122136.5 Ų136.565%0.65274%0.74SS**  trans-142.4128.9176-149-118.7000107.2
312Q36.9Very low37.2Very low156 Ų156134.2 Ų134.273%0.72973%0.733SS**  66.6142.280.4-108.3-177.4137.100112.5
313S32Very low37Very low80 Ų80132.1 Ų132.156%0.55973%0.732SS**  cis-164156.923.4-790000113.7
314Y32.6Very low36.3Very low211 Ų211132.8 Ų132.883%0.82773%0.729SS**  trans53.6167.5143-79.1-59.8000121.9
315L39.9Very low36.6Very low115 Ų115133.7 Ų133.760%0.60273%0.725SS**  cis-161158.81.4-125.1-170.9000111.7
316H36.3Very low36.4Very low159 Ų159135.6 Ų135.674%0.73673%0.729SS**  trans61.6164.3149.3-81.5156.3000122.9
317Q33Very low35.4Very low140 Ų140134 Ų13465%0.65474%0.735SS**  cis-170.5163.7-32.9-129.8-83.181.300110.2
318N29.6Very low35.1Very low140 Ų140136.8 Ų136.875%0.74974%0.744SS**  trans64.6158.7172.4-61.9-32.1000118.2
319G31.1Very low35.9Very low56 Ų56132 Ų13258%0.57773%0.73SS**  cis155117.6-15.200000115.4
320H35.1Very low36.3Very low196 Ų196138.4 Ų138.491%0.90774%0.737SS**  trans64.2158.8174.1-55-86.4000116.2
321S30.1Very low35.8Very low101 Ų101141.2 Ų141.271%0.70674%0.738SS**  cis-172.2148.7-20.951.20000105.8
322T33.8Very low35.9Very low116 Ų116143.4 Ų143.471%0.71274%0.744SS**  -178.5154.855.246.20000109
323T38.3Very low35.7Very low123 Ų123141.8 Ų141.876%0.75575%0.75SS**  trans52.4152159.825.30000119.4
324D35Very low35.7Very low131 Ų131146.5 Ų146.570%0.70176%0.763SS**  cis-154.4178.710.2-138.6-41.3000112.8
325L40.1Very low36.1Very low126 Ų126142 Ų14266%0.6676%0.763SS**  trans64.3104161-95.863.5000122
326Q39.2Very low36.2Very low188 Ų188141.8 Ų141.888%0.87977%0.768SS**  67.4132.6129.1-64.1173-17.900122.8
327G32.9Very low36.4Very low83 Ų83139.7 Ų139.786%0.85677%0.771SS**  trans13529.9143.900000122.5
328I36.7Very low36.7Very low163 Ų163141.2 Ų141.284%0.83678%0.78SS**  trans-110.9155.6-178.3-71.4177.2000110.6
329P49.6Very low37Very low96 Ų96140.4 Ų140.462%0.62378%0.784SS**  cis-127.7174035.4-17.4000116.9
330R41Very low37.3Very low244 Ų244144.3 Ų144.392%0.92179%0.792SS**  trans-75.8131.9157.3-169.8-173.6-157.3143.70.1110.3
331Y35.7Very low37.4Very low219 Ų219146.5 Ų146.586%0.85979%0.793SS**  trans-75.6145.9177.2-94.9-89.1000113.5
332H35.5Very low37.8Very low169 Ų169149.2 Ų149.278%0.78279%0.792SS**  trans-114132.3-179.5-149.2102.8000109Q334H332-Q334 PolarHBondContact O-N 3.44Å
333S32.2Very low38.2Very low122 Ų122149.1 Ų149.185%0.85378%0.783SS**  trans-83113.3-175.2-61.60000112.2
334Q32.3Very low38Very low178 Ų178152.9 Ų152.983%0.83279%0.789SS**  trans-134.7139161-67.1-170.37.900110.2H332H332-Q334 PolarHBondContact O-N 3.44Å
335S39.7Very low38.3Very low118 Ų118152 Ų15283%0.82579%0.788SS**  trans-108.1123.2-174.953.60000111.5
336P43.5Very low38.3Very low110 Ų110155.2 Ų155.271%0.71480%0.797SS**  trans-88147.5176.534.1-33.5000112.8
337S40.8Very low38Very low114 Ų114151.6 Ų151.680%0.79779%0.793SS**  trans-78.1147.4166490000111.2
338M37.5Very low38.3Very low172 Ų172157.1 Ų157.185%0.84779%0.794SS**  trans-124.6104.1173.7-69.2-70.4-170.100110
339C36.7Very low38.2Very low123 Ų123157 Ų15783%0.83180%0.795SS**  trans-114.8148.9156.4-69.10000108.3
340D36.9Very low37.4Very low138 Ų138156.6 Ų156.674%0.73880%0.799SS**  trans58.395.3172-107-68.6000118.9
341R38.7Very low37.1Very low243 Ų243153.4 Ų153.492%0.91780%0.797SS**  -145.4151.6108.8-143.6137.9-60.9179.33.3115.1
342K37.2Very low37Very low158 Ų158148.9 Ų148.969%0.68779%0.792SS**  trans-82.3167.9-176.5-158.3-176.2-177-113.70112
343E42.7Very low37Very low113 Ų113146.1 Ų146.153%0.52879%0.792SS.*  trans65.5110.6168.7-48-54.5162.800118.3
344F34.3Very low37.1Very low202 Ų202145.5 Ų145.589%0.88679%0.787SS**  -159.1115115.1-100.4-66000109.4
345V41.3Very low37.3Very low112 Ų112141 Ų14168%0.67978%0.78SS**  trans-90.9130.4172.61760000108.6
346F40.1Very low37.4Very low195 Ų195144.2 Ų144.286%0.85579%0.785SS**  trans-134.1122.4157.3-102-79.3000111.1
347S32.7Very low37Very low111 Ų111147.5 Ų147.578%0.77679%0.79SS**  trans-76.1143.4-178.7-55.80000111.2
348F38.3Very low36.9Very low200 Ų200147 Ų14788%0.87779%0.786SS**  trans-112.2103.3173.4-162-85.1000110.3
349N35.3Very low37.4Very low161 Ų161144.4 Ų144.486%0.86178%0.783SS**  trans-168.4157.2164.4-112.1-26.9000112.9
350A33.2Very low37.2Very low87 Ų87142.4 Ų142.472%0.71978%0.783SS**  trans78.4138.2170.800000119.9
351M34.9Very low36.9Very low177 Ų177143.8 Ų143.887%0.87279%0.79SS**  trans87.1102.7177.7-55-171.6-64.900115.4
352T33.9Very low36.7Very low123 Ų123136.7 Ų136.776%0.75578%0.778SS**  cis87.8120.224.8-136.80000116.2
353S34.8Very low36.6Very low111 Ų111134.2 Ų134.278%0.77678%0.78SS**  trans63.2151.5168.6-48.30000116.5
354S34.2Very low36.2Very low109 Ų109139.2 Ų139.276%0.76280%0.796SS**  cis-137.5131.86.5-67.90000108.7
355A35.9Very low36.3Very low83 Ų83140.4 Ų140.469%0.68680%0.796SS**  67.8106.675.600000115.3
356M41.6Very low36.1Very low187 Ų187143.7 Ų143.792%0.92180%0.804SS**  trans-144.1134.1158.4-74.5-63.3163.500109
357H36.6Very low35.9Very low179 Ų179141.9 Ų141.983%0.82980%0.798SS**  trans-91.6174.6170.1-70.9-157000108.8
358S37.6Very low36Very low102 Ų102144.3 Ų144.371%0.71380%0.797SS**  cis-168.1-167.813.5-130.90000107.2
359P49.3Very low35.9Very low119 Ų119142.7 Ų142.777%0.77379%0.792SS**  cis-129.9173.1-46.336.1-20000113.5
360G30.9Very low35.9Very low80 Ų80140.7 Ų140.783%0.82579%0.785SS**  trans86.7142.2161.900000115.5
361N31.7Very low36.1Very low168 Ų168141.5 Ų141.590%0.89879%0.785SS**  cis-133.1166.820.5-161.27.8000112.5
362S33.7Very low36.3Very low94 Ų94143.6 Ų143.666%0.65779%0.785SS**  trans-84.4141.1-173.5-170.50000114
363S35.3Very low36.5Very low106 Ų106145.3 Ų145.374%0.74179%0.785SS**  trans-153.2133.5156.5-168.10000110.2
364Y35.1Very low36.9Very low217 Ų217146 Ų14685%0.85178%0.78SS**  trans-80.4133.8-174.1-80.2-104.8000112
365Y36.3Very low37.6Very low227 Ų227148.2 Ų148.289%0.8978%0.781SS**  trans-109.8125.1160.5-88.9-80.5000110.7H367Y365-H367 PolarHBondContact O-N 3.33Å
366H37.3Very low38.3Very low181 Ų181152 Ų15284%0.83878%0.782SS**  trans-81.3102-174.8-162.1-47.1000110.3Q368H366-Q368 PolarHBondContact O-N 3.42Å; H366-Q368 VanDerWaalsContact O-N 3.14Å
367H35.7Very low39Very low158 Ų158149 Ų14973%0.73178%0.777SS**  trans-73.7107174.9-166.6-24.4000109.8Y365Y365-H367 PolarHBondContact O-N 3.33Å
368Q34.4Very low39.6Very low161 Ų161146.7 Ų146.775%0.75278%0.779SS**  trans-77.3121.8167.4-165.8166.123.800108.3H366H366-Q368 PolarHBondContact O-N 3.42Å; H366-Q368 VanDerWaalsContact O-N 3.14Å
369Q35.4Very low40Very low166 Ų166148.4 Ų148.478%0.77679%0.785SS**  trans-90.6136.2168.4-72.6-165.3-6.400109.3
370V37.2Very low39.9Very low120 Ų120155.1 Ų155.173%0.72781%0.809SS**  trans-98.9100.4171.9179.70000107.6Y372V370-Y372 PolarHBondContact O-N 3.32Å
371S36.9Very low40.4Very low103 Ų103158.9 Ų158.972%0.7281%0.809SS**  trans-75.4114.8173.140.30000110.2Q373S371-Q373 PolarHBondContact O-N 3.47Å
372Y39.6Very low40.8Very low222 Ų222158.4 Ų158.487%0.87180%0.804SS**  trans-71.6119.3164.1-83.9-96.3000108.7V370V370-Y372 PolarHBondContact O-N 3.32Å
373Q38.3Very low41.2Very low159 Ų159162 Ų16274%0.74381%0.812SS**  trans-94.1137169.5-81.3-72.714.300110.4S371 I375S371-Q373 PolarHBondContact O-N 3.47Å; Q373-I375 PolarHBondContact O-N 3.1Å
374D41.3Very low41.6Very low125 Ų125165.3 Ų165.367%0.66882%0.816SS**  trans-78.7111.5177.3-174.8-104.9000109.6K376D374-K376 WeakPolarHBondContact OD1-CE 3.39Å; D374-K376 WeakPolarHBondContact OD1-CG 3.21Å
375I49.6Very low42Very low155 Ų155162.1 Ų162.180%0.79581%0.814SS**  trans-103.498.1-179.8-60174000108.7Q373Q373-I375 PolarHBondContact O-N 3.1Å
376K50.8Low42.4Very low163 Ų163157.7 Ų157.771%0.70981%0.809SS**PPolyproline II helixtrans-72.8138.7173.9-63174.7-176.5171.50110.2D374 C378D374-K376 WeakPolarHBondContact OD1-CE 3.39Å; D374-K376 WeakPolarHBondContact OD1-CG 3.21Å; K376-C378 PolarHBondContact O-N 3.33Å
377P57.2Low42.7Very low123 Ų123156.1 Ų156.180%0.79981%0.807SS**PPolyproline II helixtrans-72.3118.1172.329.5-32.5000110
378C47.9Very low43.3Very low131 Ų131155.9 Ų155.989%0.88581%0.813SS**PPolyproline II helixtrans-75.1138.5162.9-750000109.6K376K376-C378 PolarHBondContact O-N 3.33Å
379V47.3Very low44Very low138 Ų138155.5 Ų155.584%0.83682%0.818SS**PPolyproline II helixtrans-96.1127.9170.6174.40000108.7
380M47Very low44.8Very low261 Ų261154.5 Ų154.5100%1.28682%0.822SS**  trans-157.90150.1-105.5172.9-176.400108.1

Retrieved 380 of 380 residues in 244.7 ms (Link to these results)