A0A3Q0KNQ8_SCHMA Loading...

Apobec-1 complementation factor-related

AlphaFold DB , UniProt , Accession A0A3Q0KNQ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 841 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
1M30.6Very low31.6Very low222 Ų222132 Ų132100%1.09474%0.744SS**  0116.30-72.5166.2148.300108.4
2L36.3Very low31.2Very low166 Ų166129.2 Ų129.287%0.86974%0.739SS**  cis-116120.7-34.8-72.7168000104.8
3V31.2Very low31.2Very low111 Ų111133 Ų13367%0.67375%0.754SS**  cis66.7120.647.4-176.10000110.6
4S29.9Very low31.1Very low75 Ų75131.7 Ų131.752%0.52475%0.75SS.*  cis-170.6176.5-14.848.40000108.1
5D31Very low31Very low142 Ų142131.3 Ų131.376%0.75975%0.752SS**  trans64.3171155.2-45.5-37.5000116
6V35.8Very low31Very low117 Ų117132.2 Ų132.271%0.70975%0.752SS**  cis-144.1146.3-1.590.70000109.6
7D30Very low31.1Very low115 Ų115134.5 Ų134.562%0.61576%0.755SS**  trans13.4157.5132.4-64.1-55.9000121.3
8Q30.3Very low30.9Very low147 Ų147134.6 Ų134.669%0.68776%0.76SS**  cis-163.6-170.43.8-120.4153.338.800109.6
9N33.1Very low30.9Very low144 Ų144137.1 Ų137.177%0.7776%0.761SS**  trans75.7115.3168.6-54-33.2000114.7
10A27.7Very low30.9Very low85 Ų85138 Ų13870%0.70277%0.765SS**  cis55.7124.718.400000113.1
11V31.8Very low30.9Very low128 Ų128139 Ų13978%0.77677%0.768SS**  -163.1148.566.2152.50000110.4
12S27.3Very low30.7Very low98 Ų98137.6 Ų137.669%0.68576%0.76SS**  trans24.2128.3158.2-55.80000122
13L30.4Very low30.4Very low179 Ų179134.9 Ų134.994%0.93776%0.756SS**  trans-144.990.6133.4-111.5176.5000111
14T29.7Very low30.3Very low115 Ų115137.9 Ų137.971%0.70677%0.767SS**  trans-96.5140.617047.70000110.8
15T30Very low30.3Very low125 Ų125142.8 Ų142.877%0.76778%0.782SS**  trans71110.8164.1-48.30000116.4
16L31.3Very low30.2Very low146 Ų146143.9 Ų143.976%0.76479%0.786SS**  -162.3112.5123.1-106.5169000112.9
17Q32Very low29.9Very low171 Ų171142.9 Ų142.980%0.79979%0.785SS**  trans39.4115.2148.8-691747.700121K19Q17-K19 PolarHBondContact O-N 3.44Å
18T28Very low29.9Very low137 Ų137142.1 Ų142.184%0.8478%0.784SS**  trans-57.6125.9159.149.20000113.2
19K31.1Very low29.8Very low181 Ų181140.2 Ų140.279%0.78779%0.785SS**  trans-155165.6148.8-104.4160.2-173.2178.10108.5Q17Q17-K19 PolarHBondContact O-N 3.44Å
20D31.1Very low29.6Very low155 Ų155140 Ų14083%0.82978%0.779SS**  trans58.570.4169.8-50.4-26.6000116.9
21I29.9Very low29.5Very low161 Ų161142 Ų14283%0.82678%0.783SS**  trans-112.779.8159.8-54.8-180000108.8
22M27.9Very low29.4Very low191 Ų191141.7 Ų141.794%0.94178%0.781SS**SBendtrans-14323172.7-89.6-160.417100114.3
23S29.3Very low29.5Very low110 Ų110141.5 Ų141.577%0.76978%0.776SS**  trans-161.777.2176.447.10000113.9
24L29.8Very low29.5Very low174 Ų174138 Ų13891%0.91176%0.762SS**  trans-129.9104.2161.2-77.7178.4000111.1
25Q28.6Very low29.8Very low178 Ų178140.6 Ų140.683%0.83276%0.764SS**  trans-68131.9163-66.9158.2-105.800108.8S27Q25-S27 PolarHBondContact O-N 2.68Å
26L28.8Very low29.9Very low164 Ų164140.5 Ų140.586%0.85976%0.763SS**  trans-98.868.4165.4-163.672.8000110.1T28L26-T28 PolarHBondContact O-N 3.35Å
27S30.1Very low30Very low97 Ų97138.7 Ų138.768%0.67875%0.753SS**  trans-81.384.6170.853.80000110Q25Q25-S27 PolarHBondContact O-N 2.68Å
28T29.2Very low30Very low99 Ų99135.9 Ų135.961%0.60775%0.75SS**PPolyproline II helixtrans-63.5126.5164.148.90000108.8L26 Q30L26-T28 PolarHBondContact O-N 3.35Å; T28-Q30 PolarHBondContact O-N 2.99Å; T28-Q30 VanDerWaalsContact O-N 3.16Å
29P28.2Very low30.1Very low107 Ų107136 Ų13670%0.69575%0.75SS**PPolyproline II helixtrans-65.6116.9176.327-33000109.4
30Q29.6Very low30.2Very low139 Ų139134.3 Ų134.365%0.6576%0.755SS**PPolyproline II helixtrans-76129.8169.7-70.2-176.9-18.800108.7T28 V32T28-Q30 PolarHBondContact O-N 2.99Å; T28-Q30 VanDerWaalsContact O-N 3.16Å; Q30-V32 PolarHBondContact O-N 3.21Å; Q30-V32 VanDerWaalsContact O-N 3.1Å
31T26Very low30.3Very low128 Ų128132.9 Ų132.979%0.78575%0.752SS**  trans-66.9107.4173.8-52.30000109.3T33T31-T33 PolarHBondContact O-N 2.78Å
32V29.9Very low30.5Very low120 Ų120133.5 Ų133.573%0.72775%0.752SS**  trans-8194.5173-1780000108.3Q30 T34Q30-V32 PolarHBondContact O-N 3.21Å; Q30-V32 VanDerWaalsContact O-N 3.1Å; V32-T34 VanDerWaalsContact C-N 3.28Å; V32-T34 PolarHBondContact O-N 2.79Å
33T29.2Very low30.9Very low94 Ų94130.1 Ų130.158%0.57775%0.747SS**  trans-80.773.4179.6-43.80000111T31 F35T31-T33 PolarHBondContact O-N 2.78Å; T33-F35 HydrophobicContact CG2-CD2 3.91Å; T33-F35 HydrophobicContact CG2-CE2 3.42Å; T33-F35 VanDerWaalsContact CG2-CE2 3.42Å; T33-F35 HydrophobicContact CG2-CZ 3.78Å; T33-F35 PolarHBondContact O-N 3.48Å
34T30.9Very low31.1Very low106 Ų106128.9 Ų128.965%0.6574%0.743SS**  trans-77.6104.7170.3-55.80000109.7V32 T36V32-T34 VanDerWaalsContact C-N 3.28Å; V32-T34 PolarHBondContact O-N 2.79Å; T34-T36 PolarHBondContact O-N 2.94Å
35F34.3Very low31.2Very low170 Ų170128.9 Ų128.975%0.74674%0.741SS**  trans-80.4100.6171.4-77.8-73.2000111T33T33-F35 HydrophobicContact CG2-CD2 3.91Å; T33-F35 HydrophobicContact CG2-CE2 3.42Å; T33-F35 VanDerWaalsContact CG2-CE2 3.42Å; T33-F35 HydrophobicContact CG2-CZ 3.78Å; T33-F35 PolarHBondContact O-N 3.48Å
36T32.1Very low31.4Very low122 Ų122124.8 Ų124.875%0.74873%0.732SS**  trans-105.3104.7167-52.90000108.4T34 P38T34-T36 PolarHBondContact O-N 2.94Å; T36-P38 WeakPolarHBondContact O-CD 3.45Å
37I33.5Very low31.4Very low108 Ų108123.3 Ų123.355%0.55473%0.73SS**PPolyproline II helixtrans-83.4123.5-175.8-55.5176.8000110.2
38P31.7Very low31.8Very low113 Ų113124.9 Ų124.973%0.73474%0.741SS**PPolyproline II helixtrans-82132169.732.9-31.9000110.8T36T36-P38 WeakPolarHBondContact O-CD 3.45Å
39T30Very low32Very low139 Ų139124.8 Ų124.885%0.85374%0.744SS**PPolyproline II helixtrans-83.7122.8179.250.60000112.5
40T34.5Very low32.4Very low145 Ų145126.1 Ų126.189%0.8975%0.746SS**  trans-131.4146.4162.7410000110.8
41T33.9Very low32.7Very low125 Ų125126.6 Ų126.677%0.76775%0.751SS**  trans-98.2152.2-162.819.50000115.1
42E33.8Very low33Very low175 Ų175128.6 Ų128.682%0.81876%0.756SS**  trans53.8120.3147.3-64.4174.5178.700120.4
43S35.3Very low33.1Very low120 Ų120126.2 Ų126.284%0.83976%0.755SS**  179.3125.4108.2-79.50000115.7
44A33.9Very low33.3Very low84 Ų84131.8 Ų131.869%0.69477%0.772SS**  trans57.5111.1136.900000124
45M31.2Very low33.4Very low173 Ų173135.9 Ų135.985%0.85278%0.784SS**  93.4127.2117.4-69.9174.364.300124.5
46S33.6Very low33.3Very low92 Ų92136 Ų13664%0.64379%0.786SS**  trans77.594135.160.30000123.3
47T29.6Very low33.6Very low134 Ų134134.3 Ų134.382%0.82277%0.773SS**  45.7120.7119.858.80000122.1
48S37.3Very low33.9Very low129 Ų129137.9 Ų137.990%0.90279%0.787SS**  -168.8161.611625.60000110.9
49S33.2Very low34Very low98 Ų98137.8 Ų137.869%0.68578%0.78SS**  trans-101.1155.1177.957.50000111.9
50D36.3Very low34.3Very low135 Ų135133.2 Ų133.272%0.72276%0.757SS**  178.2129.4113.2-87.1-4.2000115
51I35.7Very low34.7Very low149 Ų149129.8 Ų129.876%0.76474%0.743SS**  trans29.9106.6138.3-44.5173.2000119.1
52L32.8Very low35.1Very low170 Ų170127.4 Ų127.489%0.8973%0.731SS**  -168.8158.6124.5-140.663.4000114.8
53G32.6Very low35.5Very low69 Ų69124.8 Ų124.871%0.71172%0.723SS**  trans87.798140.500000119.5Q55G53-Q55 PolarHBondContact O-N 2.78Å
54K32.9Very low36.6Very low211 Ų211122.6 Ų122.692%0.91771%0.707SS**  trans-80.1105.4164.7-69.3175.8176.8176.40111.5
55Q32.7Very low38.1Very low193 Ų193119.2 Ų119.290%0.90268%0.679SS**  trans-17072.6151.5-114.2171.7800113G53G53-Q55 PolarHBondContact O-N 2.78Å
56E32.1Very low39.8Very low171 Ų171114.9 Ų114.980%0.79966%0.657SS**  trans-147.7155.7-177.7-78.7-150.2114.500111.8
57N39.2Very low41.6Very low87 Ų87117 Ų11747%0.46566%0.657SS.*  cis-162.5130.1-33.9-145.3-29.6000105.6N59 A60N57-N59 PolarHBondContact O-N 3.48Å; N57-N59 VanDerWaalsContact O-N 3.12Å; N57-A60 HydrophobicContact CB-CB 3.94Å; N57-A60 WeakPolarHBondContact O-CB 3.45Å; N57-A60 PolarHBondContact O-N 2.84Å
58Q39.1Very low43.8Very low184 Ų184112.2 Ų112.286%0.8663%0.631SS**Hα-helixtrans-64.4-21.7-179.7-71.8-174.6-0.800112.2
59N35.6Very low45.5Very low110 Ų110106.3 Ų106.359%0.58859%0.589SS**Hα-helixtrans-82.9-14177.3-54.5-18000113.8N57 S62N57-N59 PolarHBondContact O-N 3.48Å; N57-N59 VanDerWaalsContact O-N 3.12Å; N59-S62 WeakPolarHBondContact CA-OG 3.39Å; N59-S62 PolarHBondContact O-OG 3.24Å
60A34.9Very low47.5Very low44 Ų44104.4 Ų104.436%0.36457%0.573SS.*Hα-helixtrans-74.1-39.4-178.600000111.8N57 S62 L63 S64N57-A60 HydrophobicContact CB-CB 3.94Å; N57-A60 WeakPolarHBondContact O-CB 3.45Å; N57-A60 PolarHBondContact O-N 2.84Å; A60-S62 VanDerWaalsContact C-N 3.28Å; A60-S62 PolarHBondContact O-N 2.89Å; A60-L63 PolarHBondContact O-N 3.45Å; A60-S64 PolarHBondContact O-N 2.95Å
61A43.9Very low49.4Very low73 Ų73101.5 Ų101.560%0.60356%0.563SS**Hα-helixtrans-61.7-35.617700000112.6A65A61-A65 PolarHBondContact O-N 3.48Å
62S42Very low51.4Low74 Ų7495 Ų9552%0.51753%0.53SS..Hα-helixtrans-70.9-26.8176.540.20000114.2N59 A60N59-S62 WeakPolarHBondContact CA-OG 3.39Å; N59-S62 PolarHBondContact O-OG 3.24Å; A60-S62 VanDerWaalsContact C-N 3.28Å; A60-S62 PolarHBondContact O-N 2.89Å
63L42.4Very low53.5Low121 Ų12188.8 Ų88.863%0.63450%0.497SS*.Hα-helixtrans-75.4-48175.2-70167.5000110.6A60 A65 E66 E67A60-L63 PolarHBondContact O-N 3.45Å; L63-A65 PolarHBondContact O-N 2.89Å; L63-E66 PolarHBondContact O-N 2.82Å; L63-E67 PolarHBondContact O-N 3.29Å
64S58.8Low55.5Low73 Ų7391.5 Ų91.551%0.5149%0.492SS..Hα-helixtrans-59.2-31.7178.3-178.10000113.5A60 A68A60-S64 PolarHBondContact O-N 2.95Å; S64-A68 WeakPolarHBondContact O-CB 3.32Å; S64-A68 PolarHBondContact O-N 3.16Å
65A64.1Low57.8Low14 Ų1487.6 Ų87.612%0.11647%0.471CS..Hα-helixtrans-69.6-3717900000113.1A61 L63 I69 F116A61-A65 PolarHBondContact O-N 3.48Å; L63-A65 PolarHBondContact O-N 2.89Å; A65-I69 WeakPolarHBondContact O-CD1 3.41Å; A65-I69 VanDerWaalsContact O-CG1 3.31Å; A65-I69 WeakPolarHBondContact O-CG1 3.29Å; A65-I69 PolarHBondContact O-N 2.81Å; A65-I69 VanDerWaalsContact O-N 3.17Å; A65-F116 HydrophobicContact CB-CD2 4.15Å; A65-F116 HydrophobicContact CB-CE2 4.3Å
66E67.9Low59.9Low81 Ų8179.5 Ų79.538%0.37944%0.435SS..Hα-helixtrans-76.4-36.6179-15874.216600110.9L63 I69 V70 R87L63-E66 PolarHBondContact O-N 2.82Å; E66-I69 PolarHBondContact O-N 2.96Å; E66-V70 WeakPolarHBondContact O-CG2 3.46Å; E66-V70 PolarHBondContact O-N 3.31Å; E66-R87 IonicContact OE2-NH2 3.25Å; E66-R87 PolarHBondContact OE2-NH2 3.42Å
67E71.7Confident62Low138 Ų13878.9 Ų78.965%0.64543%0.43SS*.Hα-helixtrans-61.1-42.3171.2-68.7178.4167.500112.2L63 I69 V70 S71L63-E67 PolarHBondContact O-N 3.29Å; E67-I69 VanDerWaalsContact C-N 3.31Å; E67-I69 PolarHBondContact O-N 3.09Å; E67-V70 PolarHBondContact O-N 2.96Å; E67-S71 PolarHBondContact O-N 2.94Å
68A74.7Confident63.9Low33 Ų3377.2 Ų77.227%0.27342%0.417SS..Hα-helixtrans-62.8-36.9175.300000112.3S64 S71 L72 D118S64-A68 WeakPolarHBondContact O-CB 3.32Å; S64-A68 PolarHBondContact O-N 3.16Å; A68-S71 PolarHBondContact O-N 3.26Å; A68-L72 WeakPolarHBondContact O-CB 3.49Å; A68-L72 PolarHBondContact O-N 3.49Å; A68-D118 HydrophobicContact CB-CB 3.8Å
69I73.8Confident65.8Low5 Ų571.7 Ų71.73%0.02640%0.396CS..Hα-helixtrans-70.8-39.9175.6-71.4168.6000111.5A65 E66 E67 L72 L73 F116 E117 D118A65-I69 WeakPolarHBondContact O-CD1 3.41Å; A65-I69 VanDerWaalsContact O-CG1 3.31Å; A65-I69 WeakPolarHBondContact O-CG1 3.29Å; A65-I69 PolarHBondContact O-N 2.81Å; A65-I69 VanDerWaalsContact O-N 3.17Å; E66-I69 PolarHBondContact O-N 2.96Å; E67-I69 VanDerWaalsContact C-N 3.31Å; E67-I69 PolarHBondContact O-N 3.09Å; I69-L72 PolarHBondContact O-N 3.24Å; I69-L73 HydrophobicContact CG2-CD1 3.83Å; I69-L73 HydrophobicContact CG2-CG 4.37Å; I69-L73 WeakPolarHBondContact O-CB 3.43Å; I69-L73 VanDerWaalsContact O-CG 3.23Å; I69-L73 WeakPolarHBondContact O-CG 3.38Å; I69-L73 PolarHBondContact O-N 2.91Å; I69-F116 HydrophobicContact CD1-CB 4.44Å; I69-E117 HydrophobicContact CG1-CB 4.48Å; I69-D118 HydrophobicContact CG1-CB 4.32Å
70V75Confident67.9Low58 Ų5869.1 Ų69.135%0.35238%0.378SS..Hα-helixtrans-58.8-48.2171.8171.50000110.4E66 E67 L72 L73 E74E66-V70 WeakPolarHBondContact O-CG2 3.46Å; E66-V70 PolarHBondContact O-N 3.31Å; E67-V70 PolarHBondContact O-N 2.96Å; V70-L72 VanDerWaalsContact C-N 3.32Å; V70-L72 PolarHBondContact O-N 2.78Å; V70-L73 PolarHBondContact O-N 2.84Å; V70-L73 VanDerWaalsContact O-N 3.11Å; V70-E74 HydrophobicContact CG1-CG 4.4Å; V70-E74 WeakPolarHBondContact O-CG 3.26Å; V70-E74 PolarHBondContact O-N 3.24Å
71S76Confident70.2Confident73 Ų7369.5 Ų69.551%0.5138%0.376SS..Hα-helixtrans-59.7-39.5177-171.50000112.9E67 A68 R75E67-S71 PolarHBondContact O-N 2.94Å; A68-S71 PolarHBondContact O-N 3.26Å; S71-R75 WeakPolarHBondContact O-CB 3.3Å; S71-R75 PolarHBondContact O-N 3Å
72L76.7Confident72Confident12 Ų1271.1 Ų71.16%0.06337%0.371CS..Hα-helixtrans-63.6-42.9173.9-179.363.3000111.9A68 I69 V70 R75 T76 Y89 I121A68-L72 WeakPolarHBondContact O-CB 3.49Å; A68-L72 PolarHBondContact O-N 3.49Å; I69-L72 PolarHBondContact O-N 3.24Å; V70-L72 VanDerWaalsContact C-N 3.32Å; V70-L72 PolarHBondContact O-N 2.78Å; L72-R75 PolarHBondContact O-N 3.08Å; L72-T76 HydrophobicContact CD1-CG2 3.96Å; L72-T76 WeakPolarHBondContact O-CG2 3.31Å; L72-T76 PolarHBondContact O-N 2.9Å; L72-T76 PolarHBondContact O-OG1 2.96Å; L72-Y89 HydrophobicContact CD2-CE2 4.31Å; L72-Y89 HydrophobicContact CG-CE2 4.34Å; L72-I121 HydrophobicContact CD1-CG2 4.36Å; L72-I121 HydrophobicContact CD2-CB 4.09Å; L72-I121 HydrophobicContact CD2-CD1 3.8Å; L72-I121 HydrophobicContact CD2-CG2 4.3Å
73L77.3Confident73.7Confident40 Ų4072.5 Ų72.521%0.20937%0.369CS..Hα-helixtrans-70.8-34.7180-66.8168.5000112.5I69 V70 K77 Y78 Y80 Y89I69-L73 HydrophobicContact CG2-CD1 3.83Å; I69-L73 HydrophobicContact CG2-CG 4.37Å; I69-L73 WeakPolarHBondContact O-CB 3.43Å; I69-L73 VanDerWaalsContact O-CG 3.23Å; I69-L73 WeakPolarHBondContact O-CG 3.38Å; I69-L73 PolarHBondContact O-N 2.91Å; V70-L73 PolarHBondContact O-N 2.84Å; V70-L73 VanDerWaalsContact O-N 3.11Å; L73-K77 VanDerWaalsContact O-CA 3.28Å; L73-K77 WeakPolarHBondContact O-CA 3.47Å; L73-K77 PolarHBondContact O-N 2.91Å; L73-Y78 WeakPolarHBondContact CD2-O 3.31Å; L73-Y80 HydrophobicContact CD1-CD1 4.37Å; L73-Y80 HydrophobicContact CD1-CG 4.07Å; L73-Y89 HydrophobicContact CD2-CD2 3.99Å; L73-Y89 HydrophobicContact CD2-CE2 4.11Å
74E75.3Confident75.2Confident127 Ų12772.7 Ų72.759%0.59337%0.371SS*.Hα-helixtrans-63.9-43.9170.6-72.7179.7169.500111.7V70V70-E74 HydrophobicContact CG1-CG 4.4Å; V70-E74 WeakPolarHBondContact O-CG 3.26Å; V70-E74 PolarHBondContact O-N 3.24Å
75R80.5Confident76.1Confident129 Ų12970.2 Ų70.249%0.48736%0.357SS..Hα-helixtrans-60.3-47.1176.1179178.271.590.8-9.2112.1S71 L72 E125S71-R75 WeakPolarHBondContact O-CB 3.3Å; S71-R75 PolarHBondContact O-N 3Å; L72-R75 PolarHBondContact O-N 3.08Å; R75-E125 IonicContact CZ-OE1 2.68Å; R75-E125 IonicContact CZ-OE2 2.74Å; R75-E125 IonicContact NH1-OE1 2.81Å; R75-E125 PolarHBondContact NH1-OE1 2.83Å; R75-E125 IonicContact NH1-OE2 3.43Å; R75-E125 PolarHBondContact NH1-OE2 2.97Å; R75-E125 IonicContact NH2-OE1 3.63Å; R75-E125 IonicContact NH2-OE2 3.21Å; R75-E125 PolarHBondContact NH2-OE2 3.4Å
76T76.9Confident77Confident22 Ų2272.6 Ų72.614%0.13537%0.365CS..Hα-helixtrans-101.7-25.8-165.468.60000114.1L72 Y78 Y89L72-T76 HydrophobicContact CD1-CG2 3.96Å; L72-T76 WeakPolarHBondContact O-CG2 3.31Å; L72-T76 PolarHBondContact O-N 2.9Å; L72-T76 PolarHBondContact O-OG1 2.96Å; T76-Y78 WeakPolarHBondContact O-CD2 3.39Å; T76-Y78 PolarHBondContact O-N 2.88Å; T76-Y89 VanDerWaalsContact CB-OH 3.23Å; T76-Y89 WeakPolarHBondContact CB-OH 3.27Å; T76-Y89 VanDerWaalsContact CG2-OH 3.31Å; T76-Y89 WeakPolarHBondContact CG2-OH 3.27Å; T76-Y89 PolarHBondContact OG1-OH 3.27Å
77K76.7Confident77.9Confident159 Ų15969.4 Ų69.469%0.69135%0.35SS*.  trans61.922.5-175.1-53.1175-176.5176.60114.2L73 P93L73-K77 VanDerWaalsContact O-CA 3.28Å; L73-K77 WeakPolarHBondContact O-CA 3.47Å; L73-K77 PolarHBondContact O-N 2.91Å; K77-P93 HydrophobicContact CB-CG 4.37Å; K77-P93 WeakPolarHBondContact O-CG 3.39Å
78Y78.3Confident78.7Confident52 Ų5266.2 Ų66.220%0.20433%0.332CS..  trans-73.8152.9175.6-83.5-126.8000110.7L73 T76 Y89 P92 I130L73-Y78 WeakPolarHBondContact CD2-O 3.31Å; T76-Y78 WeakPolarHBondContact O-CD2 3.39Å; T76-Y78 PolarHBondContact O-N 2.88Å; Y78-Y89 VanDerWaalsContact CB-CE2 3.49Å; Y78-Y89 AromaticContact CD1-CD1 3.78Å; Y78-Y89 HydrophobicContact CD1-CD1 3.78Å; Y78-Y89 AromaticContact CD1-CE1 3.22Å; Y78-Y89 HydrophobicContact CD1-CE1 3.22Å; Y78-Y89 HydrophobicContact CD1-CE2 4.33Å; Y78-Y89 AromaticContact CD1-CZ 3.55Å; Y78-Y89 HydrophobicContact CD2-CE1 4.48Å; Y78-Y89 HydrophobicContact CE1-CD1 4.48Å; Y78-Y89 AromaticContact CE1-CE1 3.74Å; Y78-Y89 HydrophobicContact CE1-CE1 3.74Å; Y78-Y89 HydrophobicContact CG-CD1 4.38Å; Y78-Y89 AromaticContact CG-CE1 3.67Å; Y78-Y89 HydrophobicContact CG-CE1 3.67Å; Y78-Y89 AromaticContact CG-CE2 3.98Å; Y78-Y89 HydrophobicContact CG-CE2 3.98Å; Y78-Y89 AromaticContact CG-CZ 3.43Å; Y78-Y89 VanDerWaalsContact CG-CZ 3.43Å; Y78-P92 HydrophobicContact CE1-CB 4.06Å; Y78-P92 HydrophobicContact CE1-CG 3.74Å; Y78-P92 HydrophobicContact CE2-CB 4.29Å; Y78-I130 WeakPolarHBondContact CE1-O 3.29Å; Y78-I130 PolarHBondContact OH-O 3.41Å
79T78.7Confident79.2Confident68 Ų6864.9 Ų64.942%0.41732%0.32SS..  trans-73134.5171.946.50000110.3Y89 G90 P91T79-Y89 CarbonylContact O-C 3.52Å; T79-Y89 WeakPolarHBondContact O-CA 3.48Å; T79-G90 PolarHBondContact O-N 3.36Å; T79-G90 VanDerWaalsContact OG1-C 3.32Å; T79-P91 PolarHBondContact OG1-O 2.8Å
80Y81.3Confident79.7Confident56 Ų5664.8 Ų64.822%0.2232%0.32CS..EExtended strand (participates in β ladder)trans-119.3131.3172.5165-92.6000110.2L73 Q82 R87 R88L73-Y80 HydrophobicContact CD1-CD1 4.37Å; L73-Y80 HydrophobicContact CD1-CG 4.07Å; Y80-Q82 PolarHBondContact OH-OE1 2.68Å; Y80-R87 HydrophobicContact CE2-CB 4.27Å; Y80-R87 HydrophobicContact CE2-CG 4.1Å; Y80-R87 PolarHBondContact OH-NE 3.4Å; Y80-R87 PolarHBondContact OH-NH2 3.05Å; Y80-R88 CarbonylContact C-O 3.54Å; Y80-R88 VanDerWaalsContact CA-O 3.32Å; Y80-R88 WeakPolarHBondContact CA-O 3.35Å
81V82.9Confident79.8Confident52 Ų5264.4 Ų64.432%0.31532%0.319SS..EExtended strand (participates in β ladder)trans-142.1126.1-175.51790000109.8E83 R88V81-E83 HydrophobicContact CG1-CG 3.79Å; V81-R88 PolarHBondContact N-O 3.37Å; V81-R88 PolarHBondContact O-N 2.89Å
82Q81.8Confident79.8Confident107 Ų10761.3 Ų61.350%0.530%0.297SS..EExtended strand (participates in β ladder)trans-110.3106.5174.8-173.5170.8-4.700110.3Y80 Q86 R87Y80-Q82 PolarHBondContact OH-OE1 2.68Å; Q82-Q86 WeakPolarHBondContact CA-O 3.41Å; Q82-R87 HydrophobicContact CB-CG 4.31Å; Q82-R87 HydrophobicContact CG-CG 3.92Å
83E77.7Confident79.5Confident103 Ų10365.1 Ų65.148%0.48132%0.322SS..EExtended strand (participates in β ladder)trans-131.6133.8-175.3-86.2179-164.500111.2V81 G85 Q86V81-E83 HydrophobicContact CG1-CG 3.79Å; E83-G85 PolarHBondContact O-N 3.39Å; E83-Q86 PolarHBondContact N-O 2.57Å; E83-Q86 PolarHBondContact O-N 2.93Å
84N73.2Confident78.9Confident125 Ų12569 Ų6967%0.66834%0.344SS*.THydrogen-bonded Turntrans51.133.1164.9-62-69000115.6
85G77.1Confident78.6Confident20 Ų2067.1 Ų67.121%0.20633%0.331CS..THydrogen-bonded Turntrans79.526.3-17600000114.4E83 M137E83-G85 PolarHBondContact O-N 3.39Å; G85-M137 PolarHBondContact O-N 3.46Å
86Q83.9Confident77.6Confident64 Ų6470.1 Ų70.130%0.29935%0.35SS..EExtended strand (participates in β ladder)trans-131126.1172.1-49.5-170.1-6.400108.3Q82 E83 R134 L135 M136Q82-Q86 WeakPolarHBondContact CA-O 3.41Å; E83-Q86 PolarHBondContact N-O 2.57Å; E83-Q86 PolarHBondContact O-N 2.93Å; Q86-R134 HydrophobicContact CB-CG 4.36Å; Q86-L135 WeakPolarHBondContact CA-O 3.4Å; Q86-M136 HydrophobicContact CB-SD 4.43Å; Q86-M136 HydrophobicContact CG-SD 3.69Å
87R87Confident77Confident14 Ų1473.4 Ų73.45%0.05337%0.374CS..EExtended strand (participates in β ladder)trans-89.5134.7163.1-79176.3135.1-167.32107.6E66 Y80 Q82 E117 R134 L135 M137E66-R87 IonicContact OE2-NH2 3.25Å; E66-R87 PolarHBondContact OE2-NH2 3.42Å; Y80-R87 HydrophobicContact CE2-CB 4.27Å; Y80-R87 HydrophobicContact CE2-CG 4.1Å; Y80-R87 PolarHBondContact OH-NE 3.4Å; Y80-R87 PolarHBondContact OH-NH2 3.05Å; Q82-R87 HydrophobicContact CB-CG 4.31Å; Q82-R87 HydrophobicContact CG-CG 3.92Å; R87-E117 WeakPolarHBondContact CB-OE1 3.39Å; R87-E117 WeakPolarHBondContact CD-OE1 3.44Å; R87-E117 WeakPolarHBondContact CD-OE2 3.25Å; R87-E117 IonicContact CZ-OE2 3.96Å; R87-E117 IonicContact NE-OE2 2.68Å; R87-E117 IonicContact NH1-OE2 3.76Å; R87-E117 PolarHBondContact NH1-OE2 2.98Å; R87-R134 CarbonylContact O-C 3.52Å; R87-R134 VanDerWaalsContact O-CA 3.26Å; R87-R134 WeakPolarHBondContact O-CA 3.5Å; R87-L135 HydrophobicContact CB-CB 4.36Å; R87-L135 PolarHBondContact N-O 2.96Å; R87-L135 PolarHBondContact O-N 2.84Å; R87-M137 HydrophobicContact CB-CG 4.36Å; R87-M137 HydrophobicContact CG-CG 3.91Å; R87-M137 HydrophobicContact CG-SD 4.37Å
88R87.8Confident76.8Confident71 Ų7174.3 Ų74.327%0.26838%0.38SS..EExtended strand (participates in β ladder)trans-128.2135.5-179.5-70.3178.460.5-143.3-9.2109.4Y80 V81 F133 R134Y80-R88 CarbonylContact C-O 3.54Å; Y80-R88 VanDerWaalsContact CA-O 3.32Å; Y80-R88 WeakPolarHBondContact CA-O 3.35Å; V81-R88 PolarHBondContact N-O 3.37Å; V81-R88 PolarHBondContact O-N 2.89Å; R88-F133 WeakPolarHBondContact CA-O 3.27Å; R88-R134 HydrophobicContact CG-CB 4.45Å; R88-R134 HydrophobicContact CG-CG 3.99Å
89Y86.1Confident76.7Confident6 Ų675 Ų752%0.02440%0.396CS..EExtended strand (participates in β ladder)trans-125.6129.2175166.5-81.8000108.1L72 L73 T76 Y78 T79 I121 M132 F133L72-Y89 HydrophobicContact CD2-CE2 4.31Å; L72-Y89 HydrophobicContact CG-CE2 4.34Å; L73-Y89 HydrophobicContact CD2-CD2 3.99Å; L73-Y89 HydrophobicContact CD2-CE2 4.11Å; T76-Y89 VanDerWaalsContact CB-OH 3.23Å; T76-Y89 WeakPolarHBondContact CB-OH 3.27Å; T76-Y89 VanDerWaalsContact CG2-OH 3.31Å; T76-Y89 WeakPolarHBondContact CG2-OH 3.27Å; T76-Y89 PolarHBondContact OG1-OH 3.27Å; Y78-Y89 VanDerWaalsContact CB-CE2 3.49Å; Y78-Y89 AromaticContact CD1-CD1 3.78Å; Y78-Y89 HydrophobicContact CD1-CD1 3.78Å; Y78-Y89 AromaticContact CD1-CE1 3.22Å; Y78-Y89 HydrophobicContact CD1-CE1 3.22Å; Y78-Y89 HydrophobicContact CD1-CE2 4.33Å; Y78-Y89 AromaticContact CD1-CZ 3.55Å; Y78-Y89 HydrophobicContact CD2-CE1 4.48Å; Y78-Y89 HydrophobicContact CE1-CD1 4.48Å; Y78-Y89 AromaticContact CE1-CE1 3.74Å; Y78-Y89 HydrophobicContact CE1-CE1 3.74Å; Y78-Y89 HydrophobicContact CG-CD1 4.38Å; Y78-Y89 AromaticContact CG-CE1 3.67Å; Y78-Y89 HydrophobicContact CG-CE1 3.67Å; Y78-Y89 AromaticContact CG-CE2 3.98Å; Y78-Y89 HydrophobicContact CG-CE2 3.98Å; Y78-Y89 AromaticContact CG-CZ 3.43Å; Y78-Y89 VanDerWaalsContact CG-CZ 3.43Å; T79-Y89 CarbonylContact O-C 3.52Å; T79-Y89 WeakPolarHBondContact O-CA 3.48Å; Y89-I121 HydrophobicContact CD1-CD1 3.5Å; Y89-I121 HydrophobicContact CD1-CG1 4.38Å; Y89-I121 HydrophobicContact CD2-CD1 3.59Å; Y89-I121 HydrophobicContact CE1-CD1 3.77Å; Y89-I121 HydrophobicContact CE1-CG1 4.46Å; Y89-I121 HydrophobicContact CE1-CG2 4.13Å; Y89-I121 HydrophobicContact CE2-CD1 3.84Å; Y89-I121 HydrophobicContact CG-CD1 3.41Å; Y89-I121 VanDerWaalsContact CG-CD1 3.41Å; Y89-M132 CarbonylContact O-C 3.58Å; Y89-M132 VanDerWaalsContact O-CA 3.3Å; Y89-M132 WeakPolarHBondContact O-CA 3.17Å; Y89-F133 HydrophobicContact CD1-CB 4.16Å; Y89-F133 PolarHBondContact N-O 3.14Å; Y89-F133 PolarHBondContact O-N 3.48Å
90G83.9Confident76.8Confident3 Ų372.8 Ų72.83%0.03138%0.384CS..  trans90.1160.5-169.800000113.9T79T79-G90 PolarHBondContact O-N 3.36Å; T79-G90 VanDerWaalsContact OG1-C 3.32Å
91P77.3Confident76.6Confident49 Ų4974.3 Ų74.332%0.31840%0.4SS..  cis-7716521.830.1-37.1000116.1T79 Y131T79-P91 PolarHBondContact OG1-O 2.8Å; P91-Y131 WeakPolarHBondContact CA-O 3.25Å; P91-Y131 HydrophobicContact CB-CE2 4.03Å
92P76.3Confident76.3Confident9 Ų976.4 Ų76.46%0.05840%0.402CS..  trans-60.7139.7172.1-15.627.6000110.7Y78 N94 W95Y78-P92 HydrophobicContact CE1-CB 4.06Å; Y78-P92 HydrophobicContact CE1-CG 3.74Å; Y78-P92 HydrophobicContact CE2-CB 4.29Å; P92-N94 WeakPolarHBondContact CB-OD1 3.37Å; P92-N94 PolarHBondContact O-N 3.39Å; P92-N94 VanDerWaalsContact O-N 3.09Å; P92-W95 HydrophobicContact CB-CB 4.23Å; P92-W95 HydrophobicContact CG-CB 4.26Å; P92-W95 HydrophobicContact CG-CE3 4.27Å; P92-W95 WeakPolarHBondContact O-CB 3.49Å; P92-W95 PolarHBondContact O-N 3.48Å; P92-W95 VanDerWaalsContact O-N 3.09Å
93P68.8Low76.2Confident91 Ų9172.5 Ų72.559%0.59139%0.39SS*.THydrogen-bonded Turntrans-67.1-14.1-174.229.5-38.3000114K77K77-P93 HydrophobicContact CB-CG 4.37Å; K77-P93 WeakPolarHBondContact O-CG 3.39Å
94N66.4Low76.6Confident123 Ų12367.7 Ų67.766%0.65837%0.368SS*.THydrogen-bonded Turntrans-105.27.317863-22.5000113.6P92 Q96P92-N94 WeakPolarHBondContact CB-OD1 3.37Å; P92-N94 PolarHBondContact O-N 3.39Å; P92-N94 VanDerWaalsContact O-N 3.09Å; N94-Q96 PolarHBondContact O-N 2.73Å
95W67.5Low77.4Confident87 Ų8763.3 Ų63.333%0.3334%0.344SS..  trans-78102.3-177.2-163.7-88.3000112P92 C97 E98 Y131 T152P92-W95 HydrophobicContact CB-CB 4.23Å; P92-W95 HydrophobicContact CG-CB 4.26Å; P92-W95 HydrophobicContact CG-CE3 4.27Å; P92-W95 WeakPolarHBondContact O-CB 3.49Å; P92-W95 PolarHBondContact O-N 3.48Å; P92-W95 VanDerWaalsContact O-N 3.09Å; W95-C97 HydrophobicContact CZ2-CB 3.96Å; W95-C97 PolarHBondContact NE1-O 3.26Å; W95-C97 VanDerWaalsContact NE1-O 3.12Å; W95-E98 PolarHBondContact NE1-O 3.34Å; W95-Y131 AromaticContact CD1-CE2 3.58Å; W95-Y131 HydrophobicContact CD2-CD2 4.07Å; W95-Y131 HydrophobicContact CD2-CE2 4.25Å; W95-Y131 AromaticContact CE2-CD2 3.97Å; W95-Y131 HydrophobicContact CG-CD2 4.18Å; W95-Y131 AromaticContact CG-CE2 3.94Å; W95-Y131 HydrophobicContact CG-CE2 3.94Å; W95-Y131 AromaticContact NE1-CD2 3.96Å; W95-Y131 AromaticContact NE1-CE2 3.59Å; W95-T152 HydrophobicContact CE3-CG2 4.34Å; W95-T152 HydrophobicContact CH2-CG2 3.31Å; W95-T152 HydrophobicContact CZ2-CG2 4.17Å; W95-T152 HydrophobicContact CZ3-CG2 3.41Å; W95-T152 VanDerWaalsContact CZ3-CG2 3.41Å
96Q59.9Low78.2Confident191 Ų19162.4 Ų62.489%0.89333%0.334SS*.  trans-98.3-7.7178.6-62179.61100113.7N94N94-Q96 PolarHBondContact O-N 2.73Å
97C64Low78.6Confident92 Ų9262.7 Ų62.762%0.62234%0.335SS*.SBendtrans-82.3168.5179.8-58.90000111.7W95W95-C97 HydrophobicContact CZ2-CB 3.96Å; W95-C97 PolarHBondContact NE1-O 3.26Å; W95-C97 VanDerWaalsContact NE1-O 3.12Å
98E72.8Confident78.9Confident177 Ų17762 Ų6283%0.82733%0.332SS*.PPolyproline II helixtrans-58.3165.3169.8-62.7-170.4167.900112.2W95W95-E98 PolarHBondContact NE1-O 3.34Å
99A77.4Confident79.1Confident66 Ų6659.1 Ų59.155%0.54532%0.324SS..PPolyproline II helixtrans-66.1144.6173.500000110.7Y131A99-Y131 HydrophobicContact CB-CE1 4.44Å
100P79.4Confident79.3Confident23 Ų2364.7 Ų64.715%0.14935%0.348CS..PPolyproline II helixtrans-54.6144.8179.9-28.336.4000113.2C104 Y131 V150 Y151P100-C104 HydrophobicContact CB-CB 3.89Å; P100-Y131 VanDerWaalsContact CD-CD1 3.47Å; P100-Y131 HydrophobicContact CG-CD1 3.82Å; P100-Y131 HydrophobicContact CG-CD2 3.93Å; P100-Y131 HydrophobicContact CG-CE1 4.41Å; P100-Y131 HydrophobicContact CG-CG 3.55Å; P100-V150 HydrophobicContact CB-CG1 4.13Å; P100-V150 HydrophobicContact CG-CG1 4.1Å; P100-Y151 WeakPolarHBondContact CB-O 3.31Å; P100-Y151 WeakPolarHBondContact CG-O 3.31Å
101P76.7Confident79.7Confident87 Ų8764.9 Ų64.957%0.56535%0.348SS*.PPolyproline II helixtrans-65.9162.3-17826.5-33.7000112.7C104P101-C104 WeakPolarHBondContact O-CB 3.14Å; P101-C104 PolarHBondContact O-N 3.41Å; P101-C104 PolarHBondContact O-SG 3.19Å
102R76.7Confident80.3Confident97 Ų9763 Ų6337%0.36634%0.336SS..THydrogen-bonded Turntrans-51.5142.5176.9-70.3-172.4-177.3178.4-0111.6C104 R154 D182 E233 Y234 G235R102-C104 VanDerWaalsContact C-N 3.31Å; R102-R154 PolarHBondContact O-NH2 3.03Å; R102-D182 WeakPolarHBondContact CA-OD2 3.49Å; R102-D182 WeakPolarHBondContact CB-OD2 3.13Å; R102-E233 IonicContact CZ-OE1 3.44Å; R102-E233 IonicContact NH1-OE1 3.68Å; R102-E233 PolarHBondContact NH1-OE1 2.81Å; R102-E233 IonicContact NH2-OE1 3.42Å; R102-Y234 PolarHBondContact NH2-O 3.18Å; R102-G235 PolarHBondContact NH2-O 2.91Å
103G80.7Confident80.8Confident24 Ų2468.5 Ų68.525%0.24736%0.356CS..THydrogen-bonded Turntrans70.921.8-175.400000114.9D182G103-D182 PolarHBondContact N-OD2 3.02Å; G103-D182 VanDerWaalsContact N-OD2 3.16Å
104C86.3Confident81.6Confident3 Ų367.5 Ų67.52%0.0235%0.346CS..  trans-95.915157.9-66.10000112.4P100 P101 R102 V150 Y151 R154 T157P100-C104 HydrophobicContact CB-CB 3.89Å; P101-C104 WeakPolarHBondContact O-CB 3.14Å; P101-C104 PolarHBondContact O-N 3.41Å; P101-C104 PolarHBondContact O-SG 3.19Å; R102-C104 VanDerWaalsContact C-N 3.31Å; C104-V150 CarbonylContact O-C 3.54Å; C104-V150 WeakPolarHBondContact O-CA 3.39Å; C104-Y151 PolarHBondContact O-N 3.44Å; C104-R154 PolarHBondContact SG-N 3.17Å; C104-R154 VanDerWaalsContact SG-N 3.39Å; C104-T157 VanDerWaalsContact C-OG1 3.29Å; C104-T157 VanDerWaalsContact CA-OG1 3.26Å; C104-T157 WeakPolarHBondContact CA-OG1 3.28Å; C104-T157 PolarHBondContact O-OG1 3.31Å
105E90.1Very high82.5Confident33 Ų3361.7 Ų61.715%0.15431%0.314CS..EExtended strand (participates in β ladder)trans-109.9139.1178.8-171.3-177-108.700111.1F148 C149 V150 S180E105-F148 HydrophobicContact CG-CB 4.15Å; E105-F148 HydrophobicContact CG-CD1 4.23Å; E105-F148 VanDerWaalsContact OE2-CD1 3.29Å; E105-F148 WeakPolarHBondContact OE2-CD1 3.24Å; E105-C149 CarbonylContact C-O 3.6Å; E105-C149 WeakPolarHBondContact CA-O 3.45Å; E105-V150 HydrophobicContact CB-CG2 4.07Å; E105-V150 HydrophobicContact CG-CG2 3.84Å; E105-S180 WeakPolarHBondContact O-CB 3.41Å; E105-S180 PolarHBondContact O-N 3.1Å; E105-S180 VanDerWaalsContact OE2-CB 3.27Å; E105-S180 WeakPolarHBondContact OE2-CB 3.4Å; E105-S180 PolarHBondContact OE2-OG 3.2Å
106V92.5Very high83.5Confident0 Ų059.4 Ų59.40%031%0.307CS..EExtended strand (participates in β ladder)trans-111.6129.4177-177.10000108.9I108 F148 C149 Y151 T157 A160 V161 V177 C178V106-I108 HydrophobicContact CG1-CG1 4.38Å; V106-F148 CarbonylContact O-C 3.49Å; V106-F148 VanDerWaalsContact O-CA 3.32Å; V106-F148 WeakPolarHBondContact O-CA 3.19Å; V106-C149 PolarHBondContact N-O 3.13Å; V106-C149 PolarHBondContact O-N 3.36Å; V106-Y151 HydrophobicContact CG2-CD2 3.97Å; V106-Y151 HydrophobicContact CG2-CE2 3.89Å; V106-T157 HydrophobicContact CG2-CG2 3.66Å; V106-A160 HydrophobicContact CG2-CB 4.22Å; V106-V161 HydrophobicContact CG1-CG2 4.09Å; V106-V161 HydrophobicContact CG2-CG2 4.48Å; V106-V177 HydrophobicContact CG1-CG1 3.28Å; V106-C178 CarbonylContact C-O 3.23Å; V106-C178 WeakPolarHBondContact CA-O 3.36Å; V106-C178 WeakPolarHBondContact CG1-O 3.47Å
107F92.6Very high84.8Confident71 Ų7150.4 Ų50.431%0.31127%0.265SS..EExtended strand (participates in β ladder)trans-83.1132.3166.8172.9-96.3000110F146 F148 C178F107-F146 HydrophobicContact CE2-CB 3.88Å; F107-F146 AromaticContact CE2-CD2 3.78Å; F107-F146 HydrophobicContact CE2-CD2 3.78Å; F107-F146 HydrophobicContact CE2-CG 4.13Å; F107-F146 HydrophobicContact CZ-CB 3.89Å; F107-F146 HydrophobicContact CZ-CG 4.43Å; F107-F148 HydrophobicContact CB-CE1 4.41Å; F107-F148 HydrophobicContact CD2-CD1 4.34Å; F107-F148 AromaticContact CD2-CE1 3.77Å; F107-F148 HydrophobicContact CD2-CE1 3.77Å; F107-F148 HydrophobicContact CD2-CE2 4.39Å; F107-F148 AromaticContact CD2-CZ 3.79Å; F107-F148 HydrophobicContact CD2-CZ 3.79Å; F107-F148 HydrophobicContact CE2-CZ 4.28Å; F107-C178 PolarHBondContact N-O 3.07Å; F107-C178 PolarHBondContact O-N 3.16Å
108I93.7Very high85.8Confident0 Ų047.8 Ų47.80%025%0.245CC..EExtended strand (participates in β ladder)trans-120.2115.8-179.6-52.3158.2000107.5V106 I111 F124 F133 F146 G147 C149 I175 G176V106-I108 HydrophobicContact CG1-CG1 4.38Å; I108-I111 HydrophobicContact CB-CD1 4.21Å; I108-I111 HydrophobicContact CG2-CD1 3.79Å; I108-I111 HydrophobicContact CG2-CG1 3.79Å; I108-F124 HydrophobicContact CB-CZ 4.31Å; I108-F124 HydrophobicContact CD1-CD1 4.32Å; I108-F124 HydrophobicContact CD1-CD2 4.05Å; I108-F124 HydrophobicContact CD1-CE1 3.76Å; I108-F124 HydrophobicContact CD1-CE2 3.47Å; I108-F124 VanDerWaalsContact CD1-CE2 3.47Å; I108-F124 HydrophobicContact CD1-CG 4.48Å; I108-F124 HydrophobicContact CD1-CZ 3.32Å; I108-F124 HydrophobicContact CG1-CE1 3.89Å; I108-F124 HydrophobicContact CG1-CE2 4.16Å; I108-F124 HydrophobicContact CG1-CZ 3.52Å; I108-F124 HydrophobicContact CG2-CE2 4.22Å; I108-F124 HydrophobicContact CG2-CZ 3.78Å; I108-F133 HydrophobicContact CD1-CD2 4.45Å; I108-F133 HydrophobicContact CD1-CE2 3.53Å; I108-F133 HydrophobicContact CD1-CZ 4.11Å; I108-F146 CarbonylContact O-C 3.59Å; I108-F146 WeakPolarHBondContact O-CA 3.47Å; I108-F146 VanDerWaalsContact O-CB 3.31Å; I108-F146 WeakPolarHBondContact O-CB 3.39Å; I108-G147 PolarHBondContact N-O 2.97Å; I108-G147 PolarHBondContact O-N 3.37Å; I108-C149 HydrophobicContact CD1-CB 3.73Å; I108-I175 HydrophobicContact CG2-CB 4.43Å; I108-I175 HydrophobicContact CG2-CG2 4.42Å; I108-G176 WeakPolarHBondContact CA-O 3.25Å
109G92.6Very high86.6Confident9 Ų942.2 Ų42.29%0.09322%0.219CC..EExtended strand (participates in β ladder)trans-119175.5177.900000112.6I111 G145 G176G109-I111 PolarHBondContact O-N 2.78Å; G109-G145 CarbonylContact C-O 3.56Å; G109-G176 PolarHBondContact N-O 3.23Å; G109-G176 PolarHBondContact O-N 3.19Å
110K90.5Very high87.2Confident124 Ų12439 Ų3954%0.53919%0.193SC..SBendtrans58.722.2-174.4-49.7176.3-175.3170.70113.8G145 T174K110-G145 PolarHBondContact N-O 3.36Å; K110-G145 VanDerWaalsContact N-O 3.13Å; K110-T174 WeakPolarHBondContact CB-O 3.23Å
111I91.9Very high87.7Confident6 Ų638 Ų383%0.03119%0.186CC..  trans-60.4132.8176.2-54.8-179000108I108 G109 R113 C115 L120 L135 G145 I175I108-I111 HydrophobicContact CB-CD1 4.21Å; I108-I111 HydrophobicContact CG2-CD1 3.79Å; I108-I111 HydrophobicContact CG2-CG1 3.79Å; G109-I111 PolarHBondContact O-N 2.78Å; I111-R113 PolarHBondContact O-N 2.99Å; I111-C115 HydrophobicContact CG2-CB 4.28Å; I111-L120 HydrophobicContact CD1-CD1 4.21Å; I111-L120 HydrophobicContact CG2-CD1 3.9Å; I111-L120 HydrophobicContact CG2-CD2 4.29Å; I111-L135 HydrophobicContact CD1-CD1 3.68Å; I111-L135 HydrophobicContact CG2-CD1 4.47Å; I111-G145 PolarHBondContact N-O 3.03Å; I111-G145 WeakPolarHBondContact O-CA 3.47Å; I111-I175 HydrophobicContact CG1-CG2 4.41Å
112P89.2Confident88.4Confident9 Ų936.2 Ų36.26%0.05817%0.174CC..  trans-57.3132.8172.9-20.330.3000110.1D114 C115 N143 K173P112-D114 WeakPolarHBondContact CB-OD1 3.46Å; P112-D114 PolarHBondContact O-N 3.1Å; P112-C115 HydrophobicContact CB-CB 3.69Å; P112-C115 HydrophobicContact CG-CB 3.81Å; P112-C115 WeakPolarHBondContact O-CB 3.4Å; P112-C115 PolarHBondContact O-N 3.42Å; P112-N143 PolarHBondContact O-ND2 3.07Å; P112-K173 HydrophobicContact CB-CD 3.65Å; P112-K173 HydrophobicContact CG-CB 4.12Å; P112-K173 HydrophobicContact CG-CD 3.66Å
113R86.5Confident89Confident125 Ų12532.2 Ų32.247%0.47216%0.16SC..THydrogen-bonded Turntrans-54.4-22.8177.6-75.8-171.4-174-119.76.2113.5I111 E138 I142 N143I111-R113 PolarHBondContact O-N 2.99Å; R113-E138 IonicContact NH1-OE2 2.73Å; R113-I142 HydrophobicContact CB-CG2 3.7Å; R113-I142 HydrophobicContact CG-CG2 4.21Å; R113-I142 VanDerWaalsContact O-CG2 3.31Å; R113-I142 WeakPolarHBondContact O-CG2 3.4Å; R113-N143 PolarHBondContact O-ND2 3.26Å
114D85.5Confident89.6Confident71 Ų7131 Ų3138%0.3815%0.149SC..THydrogen-bonded Turntrans-98.612.5-176.451.7-46.5000114.6P112 R170 K173P112-D114 WeakPolarHBondContact CB-OD1 3.46Å; P112-D114 PolarHBondContact O-N 3.1Å; D114-R170 VanDerWaalsContact O-CZ 3.26Å; D114-R170 PolarHBondContact O-NH1 3.36Å; D114-R170 PolarHBondContact O-NH2 3.45Å; D114-R170 IonicContact OD2-CZ 2.59Å; D114-R170 IonicContact OD2-NH1 3.82Å; D114-R170 PolarHBondContact OD2-NH1 2.95Å; D114-K173 IonicContact OD1-NZ 3.64Å; D114-K173 PolarHBondContact OD1-NZ 2.91Å; D114-K173 IonicContact OD2-NZ 2.69Å; D114-K173 PolarHBondContact OD2-NZ 2.99Å
115C86Confident89.8Confident0 Ų034.6 Ų34.60%017%0.165CC..  trans-120.8139.6-176.8176.40000110.7I111 P112 E119 N143I111-C115 HydrophobicContact CG2-CB 4.28Å; P112-C115 HydrophobicContact CB-CB 3.69Å; P112-C115 HydrophobicContact CG-CB 3.81Å; P112-C115 WeakPolarHBondContact O-CB 3.4Å; P112-C115 PolarHBondContact O-N 3.42Å; C115-E119 PolarHBondContact SG-OE2 3.1Å; C115-N143 PolarHBondContact O-ND2 3.01Å
116F88.6Confident89.8Confident39 Ų3939.4 Ų39.417%0.17119%0.187CC..  trans-131-171-173.5-60.8-85.4000112A65 I69 D118 E119 L120 L135 M137A65-F116 HydrophobicContact CB-CD2 4.15Å; A65-F116 HydrophobicContact CB-CE2 4.3Å; I69-F116 HydrophobicContact CD1-CB 4.44Å; F116-D118 WeakPolarHBondContact CA-OD1 3.47Å; F116-D118 WeakPolarHBondContact CB-OD1 3.31Å; F116-D118 PolarHBondContact N-OD1 3.33Å; F116-D118 PolarHBondContact O-N 3.25Å; F116-E119 PolarHBondContact O-N 3Å; F116-L120 WeakPolarHBondContact O-CB 3.49Å; F116-L120 VanDerWaalsContact O-CD1 3.3Å; F116-L120 WeakPolarHBondContact O-CD1 3.24Å; F116-L120 VanDerWaalsContact O-CG 3.25Å; F116-L120 WeakPolarHBondContact O-CG 3.48Å; F116-L120 PolarHBondContact O-N 3.4Å; F116-L120 VanDerWaalsContact O-N 3.09Å; F116-L135 HydrophobicContact CD1-CD2 4.19Å; F116-M137 HydrophobicContact CD1-CE 4.28Å; F116-M137 HydrophobicContact CE1-CE 3.81Å
117E87.7Confident89.7Confident2 Ų239.9 Ų39.91%0.00919%0.19CC..Hα-helixtrans-51.3-31.4177.8-73.776.1-167.400114I69 R87 I121 F133 L135I69-E117 HydrophobicContact CG1-CB 4.48Å; R87-E117 WeakPolarHBondContact CB-OE1 3.39Å; R87-E117 WeakPolarHBondContact CD-OE1 3.44Å; R87-E117 WeakPolarHBondContact CD-OE2 3.25Å; R87-E117 IonicContact CZ-OE2 3.96Å; R87-E117 IonicContact NE-OE2 2.68Å; R87-E117 IonicContact NH1-OE2 3.76Å; R87-E117 PolarHBondContact NH1-OE2 2.98Å; E117-I121 HydrophobicContact CB-CD1 3.88Å; E117-I121 HydrophobicContact CG-CD1 4.25Å; E117-I121 VanDerWaalsContact O-CB 3.25Å; E117-I121 WeakPolarHBondContact O-CB 3.47Å; E117-I121 WeakPolarHBondContact O-CG1 3.32Å; E117-I121 PolarHBondContact O-N 2.92Å; E117-F133 HydrophobicContact CG-CD1 4.25Å; E117-F133 HydrophobicContact CG-CE1 4.45Å; E117-L135 WeakPolarHBondContact OE1-CB 3.4Å
118D85.3Confident89.6Confident37 Ų3737.1 Ų37.120%0.19818%0.182CC..Hα-helixtrans-61.6-44.9179.563.7-32.2000113.7A68 I69 F116 P122A68-D118 HydrophobicContact CB-CB 3.8Å; I69-D118 HydrophobicContact CG1-CB 4.32Å; F116-D118 WeakPolarHBondContact CA-OD1 3.47Å; F116-D118 WeakPolarHBondContact CB-OD1 3.31Å; F116-D118 PolarHBondContact N-OD1 3.33Å; F116-D118 PolarHBondContact O-N 3.25Å; D118-P122 WeakPolarHBondContact O-CD 3.39Å; D118-P122 VanDerWaalsContact O-CG 3.26Å; D118-P122 WeakPolarHBondContact O-CG 3.35Å
119E89Confident89.4Confident60 Ų6040.3 Ų40.328%0.2820%0.202SC..Hα-helixtrans-84.6-34.2175.3-76.6-177.2-174.300112.3C115 F116 V123 I169 R170C115-E119 PolarHBondContact SG-OE2 3.1Å; F116-E119 PolarHBondContact O-N 3Å; E119-V123 WeakPolarHBondContact O-CG2 3.47Å; E119-I169 HydrophobicContact CB-CG2 4.27Å; E119-R170 VanDerWaalsContact CD-NE 3.33Å; E119-R170 IonicContact OE1-CZ 2.72Å; E119-R170 IonicContact OE1-NE 3.28Å; E119-R170 PolarHBondContact OE1-NE 2.79Å; E119-R170 IonicContact OE1-NH2 2.73Å; E119-R170 PolarHBondContact OE1-NH2 3.19Å; E119-R170 IonicContact OE2-CZ 2.83Å; E119-R170 VanDerWaalsContact OE2-CZ 3.28Å; E119-R170 IonicContact OE2-NE 3.94Å; E119-R170 PolarHBondContact OE2-NE 3.18Å; E119-R170 IonicContact OE2-NH2 2.74Å; E119-R170 PolarHBondContact OE2-NH2 3.37Å
120L90.4Very high89.3Confident0 Ų040.2 Ų40.20%020%0.199CC..Hα-helixtrans-75-48.2-172.9-69.4161.3000111.9I111 F116 V123 F124 F133 L135 I169I111-L120 HydrophobicContact CD1-CD1 4.21Å; I111-L120 HydrophobicContact CG2-CD1 3.9Å; I111-L120 HydrophobicContact CG2-CD2 4.29Å; F116-L120 WeakPolarHBondContact O-CB 3.49Å; F116-L120 VanDerWaalsContact O-CD1 3.3Å; F116-L120 WeakPolarHBondContact O-CD1 3.24Å; F116-L120 VanDerWaalsContact O-CG 3.25Å; F116-L120 WeakPolarHBondContact O-CG 3.48Å; F116-L120 PolarHBondContact O-N 3.4Å; F116-L120 VanDerWaalsContact O-N 3.09Å; L120-V123 PolarHBondContact O-N 3.13Å; L120-V123 VanDerWaalsContact O-N 3.12Å; L120-F124 HydrophobicContact CB-CD2 4.49Å; L120-F124 HydrophobicContact CD2-CE2 4.11Å; L120-F124 WeakPolarHBondContact O-CD2 3.44Å; L120-F124 PolarHBondContact O-N 3.39Å; L120-F124 VanDerWaalsContact O-N 3.14Å; L120-F133 HydrophobicContact CB-CE1 4.28Å; L120-F133 HydrophobicContact CB-CE2 4.25Å; L120-F133 HydrophobicContact CB-CZ 3.7Å; L120-F133 HydrophobicContact CD1-CE1 4.18Å; L120-F133 HydrophobicContact CD1-CZ 3.86Å; L120-F133 HydrophobicContact CG-CZ 4.27Å; L120-L135 HydrophobicContact CD1-CD1 4.06Å; L120-L135 HydrophobicContact CD1-CD2 4.49Å; L120-I169 HydrophobicContact CD2-CD1 3.51Å
121I90.2Very high89.3Confident1 Ų136.2 Ų36.21%0.00518%0.181CC..Hα-helixtrans-62.1-46.1-172.6-71.9166.8000112.3L72 Y89 E117 V123 F124 E125 I130 F133L72-I121 HydrophobicContact CD1-CG2 4.36Å; L72-I121 HydrophobicContact CD2-CB 4.09Å; L72-I121 HydrophobicContact CD2-CD1 3.8Å; L72-I121 HydrophobicContact CD2-CG2 4.3Å; Y89-I121 HydrophobicContact CD1-CD1 3.5Å; Y89-I121 HydrophobicContact CD1-CG1 4.38Å; Y89-I121 HydrophobicContact CD2-CD1 3.59Å; Y89-I121 HydrophobicContact CE1-CD1 3.77Å; Y89-I121 HydrophobicContact CE1-CG1 4.46Å; Y89-I121 HydrophobicContact CE1-CG2 4.13Å; Y89-I121 HydrophobicContact CE2-CD1 3.84Å; Y89-I121 HydrophobicContact CG-CD1 3.41Å; Y89-I121 VanDerWaalsContact CG-CD1 3.41Å; E117-I121 HydrophobicContact CB-CD1 3.88Å; E117-I121 HydrophobicContact CG-CD1 4.25Å; E117-I121 VanDerWaalsContact O-CB 3.25Å; E117-I121 WeakPolarHBondContact O-CB 3.47Å; E117-I121 WeakPolarHBondContact O-CG1 3.32Å; E117-I121 PolarHBondContact O-N 2.92Å; I121-V123 PolarHBondContact O-N 2.97Å; I121-V123 VanDerWaalsContact O-N 3.11Å; I121-F124 PolarHBondContact O-N 3.16Å; I121-F124 VanDerWaalsContact O-N 3.16Å; I121-E125 WeakPolarHBondContact O-CB 3.38Å; I121-E125 PolarHBondContact O-N 3.29Å; I121-I130 HydrophobicContact CG2-CD1 4.18Å; I121-F133 HydrophobicContact CD1-CB 4.35Å; I121-F133 HydrophobicContact CD1-CD1 4.49Å; I121-F133 HydrophobicContact CD1-CG 4.46Å; I121-F133 HydrophobicContact CG1-CB 4.29Å; I121-F133 HydrophobicContact CG1-CD1 4.35Å; I121-F133 HydrophobicContact CG1-CD2 4.4Å; I121-F133 HydrophobicContact CG1-CG 4.1Å
122P89.8Confident89.2Confident49 Ų4937 Ų3732%0.31819%0.185SC..Hα-helixtrans-61.3-18.8176.7-25.336.5000115D118 Q126D118-P122 WeakPolarHBondContact O-CD 3.39Å; D118-P122 VanDerWaalsContact O-CG 3.26Å; D118-P122 WeakPolarHBondContact O-CG 3.35Å; P122-Q126 WeakPolarHBondContact O-CG 3.47Å; P122-Q126 PolarHBondContact O-NE2 3.49Å
123V91Very high89.3Confident13 Ų1336.5 Ų36.58%0.07918%0.182CC..Hα-helixtrans-82.5-47.4172.8177.10000110.7E119 L120 I121 E125 Q126 L164 Y167E119-V123 WeakPolarHBondContact O-CG2 3.47Å; L120-V123 PolarHBondContact O-N 3.13Å; L120-V123 VanDerWaalsContact O-N 3.12Å; I121-V123 PolarHBondContact O-N 2.97Å; I121-V123 VanDerWaalsContact O-N 3.11Å; V123-E125 VanDerWaalsContact C-N 3.34Å; V123-E125 PolarHBondContact O-N 3.28Å; V123-Q126 PolarHBondContact O-N 3.42Å; V123-L164 HydrophobicContact CG1-CD1 4.2Å; V123-L164 HydrophobicContact CG1-CD2 3.78Å; V123-Y167 HydrophobicContact CG1-CD1 3.98Å; V123-Y167 HydrophobicContact CG1-CE1 3.79Å; V123-Y167 HydrophobicContact CG1-CG 4.46Å; V123-Y167 HydrophobicContact CG2-CE1 3.98Å
124F91.5Very high89.5Confident0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-71.3-27.7179.5-71-74.4000113.3I108 L120 I121 Q126 I127 I130 F133 Y151 L164 I175 V177I108-F124 HydrophobicContact CB-CZ 4.31Å; I108-F124 HydrophobicContact CD1-CD1 4.32Å; I108-F124 HydrophobicContact CD1-CD2 4.05Å; I108-F124 HydrophobicContact CD1-CE1 3.76Å; I108-F124 HydrophobicContact CD1-CE2 3.47Å; I108-F124 VanDerWaalsContact CD1-CE2 3.47Å; I108-F124 HydrophobicContact CD1-CG 4.48Å; I108-F124 HydrophobicContact CD1-CZ 3.32Å; I108-F124 HydrophobicContact CG1-CE1 3.89Å; I108-F124 HydrophobicContact CG1-CE2 4.16Å; I108-F124 HydrophobicContact CG1-CZ 3.52Å; I108-F124 HydrophobicContact CG2-CE2 4.22Å; I108-F124 HydrophobicContact CG2-CZ 3.78Å; L120-F124 HydrophobicContact CB-CD2 4.49Å; L120-F124 HydrophobicContact CD2-CE2 4.11Å; L120-F124 WeakPolarHBondContact O-CD2 3.44Å; L120-F124 PolarHBondContact O-N 3.39Å; L120-F124 VanDerWaalsContact O-N 3.14Å; I121-F124 PolarHBondContact O-N 3.16Å; I121-F124 VanDerWaalsContact O-N 3.16Å; F124-Q126 VanDerWaalsContact C-N 3.29Å; F124-Q126 PolarHBondContact O-N 3.39Å; F124-I127 PolarHBondContact O-N 2.93Å; F124-I130 HydrophobicContact CB-CD1 3.74Å; F124-I130 HydrophobicContact CB-CG1 4.44Å; F124-F133 AromaticContact CD2-CE2 3.84Å; F124-F133 HydrophobicContact CD2-CE2 3.84Å; F124-F133 HydrophobicContact CE2-CE2 4.18Å; F124-Y151 WeakPolarHBondContact CA-OH 3.25Å; F124-Y151 WeakPolarHBondContact CB-OH 3.4Å; F124-Y151 WeakPolarHBondContact CD1-OH 3.05Å; F124-Y151 WeakPolarHBondContact O-CE1 3.34Å; F124-Y151 PolarHBondContact O-OH 2.69Å; F124-L164 HydrophobicContact CD1-CD1 3.37Å; F124-L164 HydrophobicContact CE1-CD1 3.51Å; F124-L164 HydrophobicContact CG-CD1 4.15Å; F124-L164 HydrophobicContact CZ-CD1 4.37Å; F124-I175 HydrophobicContact CE2-CD1 4.27Å; F124-I175 HydrophobicContact CZ-CD1 3.71Å; F124-V177 HydrophobicContact CE1-CG1 4.31Å; F124-V177 HydrophobicContact CE1-CG2 4.35Å; F124-V177 HydrophobicContact CZ-CG2 4.33Å
125E90.9Very high89.8Confident77 Ų7730.1 Ų30.136%0.3615%0.153SC..THydrogen-bonded Turntrans-67.2-24176.5-173.8177.7-178.200112.9R75 I121 V123 I127 I130R75-E125 IonicContact CZ-OE1 2.68Å; R75-E125 IonicContact CZ-OE2 2.74Å; R75-E125 IonicContact NH1-OE1 2.81Å; R75-E125 PolarHBondContact NH1-OE1 2.83Å; R75-E125 IonicContact NH1-OE2 3.43Å; R75-E125 PolarHBondContact NH1-OE2 2.97Å; R75-E125 IonicContact NH2-OE1 3.63Å; R75-E125 IonicContact NH2-OE2 3.21Å; R75-E125 PolarHBondContact NH2-OE2 3.4Å; I121-E125 WeakPolarHBondContact O-CB 3.38Å; I121-E125 PolarHBondContact O-N 3.29Å; V123-E125 VanDerWaalsContact C-N 3.34Å; V123-E125 PolarHBondContact O-N 3.28Å; E125-I127 VanDerWaalsContact C-N 3.28Å; E125-I127 PolarHBondContact O-N 3.11Å; E125-I130 HydrophobicContact CB-CD1 4.43Å
126Q90Very high90Very high134 Ų13431.1 Ų31.163%0.62616%0.158SC*.THydrogen-bonded Turntrans-66.9-27.7176.2-72.3167.150.400113.2P122 V123 F124P122-Q126 WeakPolarHBondContact O-CG 3.47Å; P122-Q126 PolarHBondContact O-NE2 3.49Å; V123-Q126 PolarHBondContact O-N 3.42Å; F124-Q126 VanDerWaalsContact C-N 3.29Å; F124-Q126 PolarHBondContact O-N 3.39Å
127I91.6Very high89.9Confident10 Ų1029.4 Ų29.45%0.05115%0.15CC..THydrogen-bonded Turntrans-78-46.1179.4-53.6-60.3000110.3F124 E125 Y151 D156 R159 A160 E163 L164F124-I127 PolarHBondContact O-N 2.93Å; E125-I127 VanDerWaalsContact C-N 3.28Å; E125-I127 PolarHBondContact O-N 3.11Å; I127-Y151 HydrophobicContact CB-CE1 4.29Å; I127-D156 HydrophobicContact CG2-CB 4.33Å; I127-D156 WeakPolarHBondContact CG2-O 3.34Å; I127-R159 HydrophobicContact CG2-CB 3.78Å; I127-R159 PolarHBondContact O-NH1 3.3Å; I127-R159 PolarHBondContact O-NH2 3.11Å; I127-A160 HydrophobicContact CG1-CB 4.25Å; I127-A160 HydrophobicContact CG2-CB 4.14Å; I127-E163 HydrophobicContact CD1-CB 3.72Å; I127-E163 HydrophobicContact CD1-CG 4.29Å; I127-E163 VanDerWaalsContact CD1-OE2 3.28Å; I127-E163 WeakPolarHBondContact CD1-OE2 3.27Å; I127-L164 HydrophobicContact CD1-CD1 4.25Å; I127-L164 HydrophobicContact CD1-CD2 4.17Å; I127-L164 HydrophobicContact CD1-CG 3.98Å; I127-L164 HydrophobicContact CG1-CD1 3.64Å; I127-L164 HydrophobicContact CG1-CD2 4.42Å; I127-L164 HydrophobicContact CG1-CG 3.94Å
128G89.1Confident89.9Confident14 Ų1432 Ų3214%0.14416%0.162CC..SBendtrans176.9178.6-176.100000112.7I130 Y151G128-I130 PolarHBondContact O-N 3.28Å; G128-Y151 WeakPolarHBondContact O-CE1 3.5Å
129P89.5Confident89.6Confident67 Ų6738.4 Ų38.444%0.43520%0.196SC..  trans-67.2123.1-176.827-34.2000112T152P129-T152 HydrophobicContact CB-CG2 4.13Å; P129-T152 HydrophobicContact CG-CG2 3.98Å; P129-T152 PolarHBondContact O-N 3.09Å
130I91.3Very high89.2Confident6 Ų639.1 Ų39.13%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-79.7123.1175.4-59.5173.4000108.7Y78 I121 F124 E125 G128 F133 Y151Y78-I130 WeakPolarHBondContact CE1-O 3.29Å; Y78-I130 PolarHBondContact OH-O 3.41Å; I121-I130 HydrophobicContact CG2-CD1 4.18Å; F124-I130 HydrophobicContact CB-CD1 3.74Å; F124-I130 HydrophobicContact CB-CG1 4.44Å; E125-I130 HydrophobicContact CB-CD1 4.43Å; G128-I130 PolarHBondContact O-N 3.28Å; I130-F133 HydrophobicContact CG2-CB 4.23Å; I130-Y151 HydrophobicContact CG1-CE1 4.16Å
131Y89.9Confident88.6Confident40 Ų4041 Ų4116%0.15722%0.221CC..EExtended strand (participates in β ladder)trans-79.6-43.1169.9174.3-98.7000111.5P91 W95 A99 P100 V150P91-Y131 WeakPolarHBondContact CA-O 3.25Å; P91-Y131 HydrophobicContact CB-CE2 4.03Å; W95-Y131 AromaticContact CD1-CE2 3.58Å; W95-Y131 HydrophobicContact CD2-CD2 4.07Å; W95-Y131 HydrophobicContact CD2-CE2 4.25Å; W95-Y131 AromaticContact CE2-CD2 3.97Å; W95-Y131 HydrophobicContact CG-CD2 4.18Å; W95-Y131 AromaticContact CG-CE2 3.94Å; W95-Y131 HydrophobicContact CG-CE2 3.94Å; W95-Y131 AromaticContact NE1-CD2 3.96Å; W95-Y131 AromaticContact NE1-CE2 3.59Å; A99-Y131 HydrophobicContact CB-CE1 4.44Å; P100-Y131 VanDerWaalsContact CD-CD1 3.47Å; P100-Y131 HydrophobicContact CG-CD1 3.82Å; P100-Y131 HydrophobicContact CG-CD2 3.93Å; P100-Y131 HydrophobicContact CG-CE1 4.41Å; P100-Y131 HydrophobicContact CG-CG 3.55Å; Y131-V150 WeakPolarHBondContact CA-O 3.43Å; Y131-V150 HydrophobicContact CD1-CB 4.28Å; Y131-V150 HydrophobicContact CD1-CG1 3.92Å; Y131-V150 PolarHBondContact N-O 2.9Å
132M89.9Confident88.3Confident22 Ų2243.4 Ų43.411%0.10823%0.234CC..EExtended strand (participates in β ladder)trans-155.4125.3176.5175.2-177.648.800111.1Y89 R134 V150Y89-M132 CarbonylContact O-C 3.58Å; Y89-M132 VanDerWaalsContact O-CA 3.3Å; Y89-M132 WeakPolarHBondContact O-CA 3.17Å; M132-R134 VanDerWaalsContact CE-NH2 3.25Å; M132-R134 PolarHBondContact SD-NH2 3.35Å; M132-V150 HydrophobicContact CB-CB 4.3Å; M132-V150 HydrophobicContact CB-CG2 4.4Å; M132-V150 HydrophobicContact CE-CG2 3.71Å; M132-V150 PolarHBondContact N-O 3.42Å; M132-V150 VanDerWaalsContact N-O 3.11Å; M132-V150 PolarHBondContact O-N 3.2Å
133F92Very high88.2Confident0 Ų041.1 Ų41.10%022%0.218CC..EExtended strand (participates in β ladder)trans-97.9146.3166.4-166.9-93.1000110.3R88 Y89 I108 E117 L120 I121 F124 I130 L135 F148 C149R88-F133 WeakPolarHBondContact CA-O 3.27Å; Y89-F133 HydrophobicContact CD1-CB 4.16Å; Y89-F133 PolarHBondContact N-O 3.14Å; Y89-F133 PolarHBondContact O-N 3.48Å; I108-F133 HydrophobicContact CD1-CD2 4.45Å; I108-F133 HydrophobicContact CD1-CE2 3.53Å; I108-F133 HydrophobicContact CD1-CZ 4.11Å; E117-F133 HydrophobicContact CG-CD1 4.25Å; E117-F133 HydrophobicContact CG-CE1 4.45Å; L120-F133 HydrophobicContact CB-CE1 4.28Å; L120-F133 HydrophobicContact CB-CE2 4.25Å; L120-F133 HydrophobicContact CB-CZ 3.7Å; L120-F133 HydrophobicContact CD1-CE1 4.18Å; L120-F133 HydrophobicContact CD1-CZ 3.86Å; L120-F133 HydrophobicContact CG-CZ 4.27Å; I121-F133 HydrophobicContact CD1-CB 4.35Å; I121-F133 HydrophobicContact CD1-CD1 4.49Å; I121-F133 HydrophobicContact CD1-CG 4.46Å; I121-F133 HydrophobicContact CG1-CB 4.29Å; I121-F133 HydrophobicContact CG1-CD1 4.35Å; I121-F133 HydrophobicContact CG1-CD2 4.4Å; I121-F133 HydrophobicContact CG1-CG 4.1Å; F124-F133 AromaticContact CD2-CE2 3.84Å; F124-F133 HydrophobicContact CD2-CE2 3.84Å; F124-F133 HydrophobicContact CE2-CE2 4.18Å; I130-F133 HydrophobicContact CG2-CB 4.23Å; F133-L135 HydrophobicContact CE1-CB 4.2Å; F133-F148 CarbonylContact C-O 3.55Å; F133-C149 HydrophobicContact CD2-CB 3.83Å; F133-C149 HydrophobicContact CE2-CB 4.17Å
134R90.8Very high88.2Confident61 Ų6146.5 Ų46.523%0.2324%0.237CC..EExtended strand (participates in β ladder)trans-145.5107.2179.3-174.4-175.2-56.8173.918.4112.5Q86 R87 R88 M132 M136 G147 F148Q86-R134 HydrophobicContact CB-CG 4.36Å; R87-R134 CarbonylContact O-C 3.52Å; R87-R134 VanDerWaalsContact O-CA 3.26Å; R87-R134 WeakPolarHBondContact O-CA 3.5Å; R88-R134 HydrophobicContact CG-CB 4.45Å; R88-R134 HydrophobicContact CG-CG 3.99Å; M132-R134 VanDerWaalsContact CE-NH2 3.25Å; M132-R134 PolarHBondContact SD-NH2 3.35Å; R134-M136 HydrophobicContact CG-CE 4.18Å; R134-G147 CarbonylContact O-C 3.53Å; R134-G147 WeakPolarHBondContact O-CA 3.24Å; R134-F148 PolarHBondContact N-O 2.69Å; R134-F148 PolarHBondContact O-N 3.22Å
135L91.5Very high88.1Confident0 Ų047.3 Ų47.30%025%0.245CC..EExtended strand (participates in β ladder)trans-89136.6171.9-164.659.4000110.5Q86 R87 I111 F116 E117 L120 F133 M137 N143Q86-L135 WeakPolarHBondContact CA-O 3.4Å; R87-L135 HydrophobicContact CB-CB 4.36Å; R87-L135 PolarHBondContact N-O 2.96Å; R87-L135 PolarHBondContact O-N 2.84Å; I111-L135 HydrophobicContact CD1-CD1 3.68Å; I111-L135 HydrophobicContact CG2-CD1 4.47Å; F116-L135 HydrophobicContact CD1-CD2 4.19Å; E117-L135 WeakPolarHBondContact OE1-CB 3.4Å; L120-L135 HydrophobicContact CD1-CD1 4.06Å; L120-L135 HydrophobicContact CD1-CD2 4.49Å; F133-L135 HydrophobicContact CE1-CB 4.2Å; L135-M137 HydrophobicContact CB-SD 4.26Å; L135-M137 HydrophobicContact CD2-SD 3.82Å; L135-M137 HydrophobicContact CG-SD 3.79Å; L135-N143 HydrophobicContact CD1-CB 4.17Å; L135-N143 HydrophobicContact CD2-CB 3.9Å; L135-N143 HydrophobicContact CG-CB 3.95Å
136M89.7Confident88.2Confident22 Ų2246.9 Ų46.911%0.10824%0.243CC..EExtended strand (participates in β ladder)trans-92.7125.7178.2-63.6-68.7179.800109.8Q86 R134 R144 F146 F148Q86-M136 HydrophobicContact CB-SD 4.43Å; Q86-M136 HydrophobicContact CG-SD 3.69Å; R134-M136 HydrophobicContact CG-CE 4.18Å; M136-R144 HydrophobicContact CB-CB 4.32Å; M136-R144 HydrophobicContact CB-CG 4.4Å; M136-R144 WeakPolarHBondContact O-CG 3.14Å; M136-R144 PolarHBondContact O-N 2.93Å; M136-F146 HydrophobicContact CB-CD2 4.27Å; M136-F146 HydrophobicContact CB-CE1 4.47Å; M136-F146 HydrophobicContact CB-CE2 3.99Å; M136-F146 HydrophobicContact CB-CZ 4.08Å; M136-F146 WeakPolarHBondContact CB-O 3.27Å; M136-F146 HydrophobicContact CG-CD2 3.93Å; M136-F146 HydrophobicContact CG-CE2 3.57Å; M136-F146 HydrophobicContact CG-CZ 4.1Å; M136-F146 PolarHBondContact N-O 3.4Å; M136-F148 HydrophobicContact CE-CD2 3.68Å; M136-F148 HydrophobicContact CE-CE2 3.63Å; M136-F148 HydrophobicContact CG-CE2 4.43Å
137M87.4Confident88.3Confident3 Ų340.5 Ų40.52%0.01521%0.213CC..EExtended strand (participates in β ladder)trans-112.1140.1-171.5-54.5-51-67.800112.3G85 R87 F116 L135 G141 N143 R144G85-M137 PolarHBondContact O-N 3.46Å; R87-M137 HydrophobicContact CB-CG 4.36Å; R87-M137 HydrophobicContact CG-CG 3.91Å; R87-M137 HydrophobicContact CG-SD 4.37Å; F116-M137 HydrophobicContact CD1-CE 4.28Å; F116-M137 HydrophobicContact CE1-CE 3.81Å; L135-M137 HydrophobicContact CB-SD 4.26Å; L135-M137 HydrophobicContact CD2-SD 3.82Å; L135-M137 HydrophobicContact CG-SD 3.79Å; M137-G141 WeakPolarHBondContact CE-O 3.45Å; M137-N143 HydrophobicContact CE-CB 4.04Å; M137-N143 HydrophobicContact SD-CB 3.81Å; M137-R144 VanDerWaalsContact O-CZ 3.27Å; M137-R144 PolarHBondContact O-NE 2.84Å; M137-R144 PolarHBondContact O-NH2 2.98Å
138E86Confident88.4Confident56 Ų5641.9 Ų41.926%0.26222%0.219SC..  trans-83160.6168.4-175.3164.3-109.600110R113 N140 G141 I142 R144R113-E138 IonicContact NH1-OE2 2.73Å; E138-N140 VanDerWaalsContact CB-OD1 3.28Å; E138-N140 WeakPolarHBondContact CB-OD1 3.42Å; E138-N140 WeakPolarHBondContact CG-OD1 3.45Å; E138-N140 PolarHBondContact O-N 3.41Å; E138-N140 VanDerWaalsContact O-N 3.11Å; E138-N140 PolarHBondContact OE2-ND2 3.13Å; E138-G141 PolarHBondContact O-N 2.83Å; E138-I142 WeakPolarHBondContact CB-O 3.16Å; E138-I142 PolarHBondContact N-O 3.47Å; E138-R144 HydrophobicContact CB-CG 4.22Å
139L80.3Confident88.5Confident172 Ų17241.2 Ų41.290%0.90121%0.212SC*.THydrogen-bonded Turntrans-68-11.2-172.4-64.7174.2000113.9G141L139-G141 VanDerWaalsContact C-N 3.35Å
140N81.1Confident88.6Confident74 Ų7438.8 Ų38.840%0.39620%0.195SC..THydrogen-bonded Turntrans-86.81.5174.35613.5000113.5E138 I142E138-N140 VanDerWaalsContact CB-OD1 3.28Å; E138-N140 WeakPolarHBondContact CB-OD1 3.42Å; E138-N140 WeakPolarHBondContact CG-OD1 3.45Å; E138-N140 PolarHBondContact O-N 3.41Å; E138-N140 VanDerWaalsContact O-N 3.11Å; E138-N140 PolarHBondContact OE2-ND2 3.13Å; N140-I142 VanDerWaalsContact C-N 3.29Å; N140-I142 HydrophobicContact CB-CG1 4.48Å; N140-I142 PolarHBondContact O-N 3.35Å; N140-I142 VanDerWaalsContact OD1-CB 3.31Å; N140-I142 WeakPolarHBondContact OD1-CB 3.49Å; N140-I142 PolarHBondContact OD1-N 3.49Å
141G76.8Confident88.7Confident41 Ų4138.5 Ų38.542%0.42319%0.194SC..SBendtrans82.9-2-17700000114.9M137 E138 L139M137-G141 WeakPolarHBondContact CE-O 3.45Å; E138-G141 PolarHBondContact O-N 2.83Å; L139-G141 VanDerWaalsContact C-N 3.35Å
142I84.5Confident88.7Confident51 Ų5137.3 Ų37.326%0.26219%0.191SC..  trans-83.7148.7174.9-51.6-179.7000108.7R113 E138 N140 F575R113-I142 HydrophobicContact CB-CG2 3.7Å; R113-I142 HydrophobicContact CG-CG2 4.21Å; R113-I142 VanDerWaalsContact O-CG2 3.31Å; R113-I142 WeakPolarHBondContact O-CG2 3.4Å; E138-I142 WeakPolarHBondContact CB-O 3.16Å; E138-I142 PolarHBondContact N-O 3.47Å; N140-I142 VanDerWaalsContact C-N 3.29Å; N140-I142 HydrophobicContact CB-CG1 4.48Å; N140-I142 PolarHBondContact O-N 3.35Å; N140-I142 VanDerWaalsContact OD1-CB 3.31Å; N140-I142 WeakPolarHBondContact OD1-CB 3.49Å; N140-I142 PolarHBondContact OD1-N 3.49Å; I142-F575 HydrophobicContact CD1-CE1 4.38Å
143N88.1Confident88.6Confident0 Ų039.8 Ų39.80%021%0.205CC..EExtended strand (participates in β ladder)trans-73.3159173.98248.6000111.8P112 R113 C115 L135 M137 G145P112-N143 PolarHBondContact O-ND2 3.07Å; R113-N143 PolarHBondContact O-ND2 3.26Å; C115-N143 PolarHBondContact O-ND2 3.01Å; L135-N143 HydrophobicContact CD1-CB 4.17Å; L135-N143 HydrophobicContact CD2-CB 3.9Å; L135-N143 HydrophobicContact CG-CB 3.95Å; M137-N143 HydrophobicContact CE-CB 4.04Å; M137-N143 HydrophobicContact SD-CB 3.81Å; N143-G145 VanDerWaalsContact C-N 3.29Å; N143-G145 PolarHBondContact O-N 3.13Å; N143-G145 WeakPolarHBondContact OD1-CA 3.42Å; N143-G145 PolarHBondContact OD1-N 3.5Å
144R89.2Confident88.4Confident127 Ų12745.5 Ų45.548%0.47923%0.226SC..EExtended strand (participates in β ladder)trans-85.78.2-179.9-61.1-172.9-166.4-146.4-1.9114.4M136 M137 E138 F146M136-R144 HydrophobicContact CB-CB 4.32Å; M136-R144 HydrophobicContact CB-CG 4.4Å; M136-R144 WeakPolarHBondContact O-CG 3.14Å; M136-R144 PolarHBondContact O-N 2.93Å; M137-R144 VanDerWaalsContact O-CZ 3.27Å; M137-R144 PolarHBondContact O-NE 2.84Å; M137-R144 PolarHBondContact O-NH2 2.98Å; E138-R144 HydrophobicContact CB-CG 4.22Å; R144-F146 VanDerWaalsContact C-N 3.31Å; R144-F146 HydrophobicContact CB-CD1 3.83Å; R144-F146 HydrophobicContact CB-CE1 3.6Å; R144-F146 WeakPolarHBondContact O-CD1 3.2Å
145G90.3Very high88.4Confident16 Ų1647.6 Ų47.617%0.16524%0.239CC..EExtended strand (participates in β ladder)trans77.69.4-17400000115.2G109 K110 I111 N143G109-G145 CarbonylContact C-O 3.56Å; K110-G145 PolarHBondContact N-O 3.36Å; K110-G145 VanDerWaalsContact N-O 3.13Å; I111-G145 PolarHBondContact N-O 3.03Å; I111-G145 WeakPolarHBondContact O-CA 3.47Å; N143-G145 VanDerWaalsContact C-N 3.29Å; N143-G145 PolarHBondContact O-N 3.13Å; N143-G145 WeakPolarHBondContact OD1-CA 3.42Å; N143-G145 PolarHBondContact OD1-N 3.5Å
146F92.6Very high88.5Confident69 Ų6948.6 Ų48.630%0.30324%0.244SC..EExtended strand (participates in β ladder)trans-150.4158.617771.6-84.1000114.3F107 I108 M136 R144 F148F107-F146 HydrophobicContact CE2-CB 3.88Å; F107-F146 AromaticContact CE2-CD2 3.78Å; F107-F146 HydrophobicContact CE2-CD2 3.78Å; F107-F146 HydrophobicContact CE2-CG 4.13Å; F107-F146 HydrophobicContact CZ-CB 3.89Å; F107-F146 HydrophobicContact CZ-CG 4.43Å; I108-F146 CarbonylContact O-C 3.59Å; I108-F146 WeakPolarHBondContact O-CA 3.47Å; I108-F146 VanDerWaalsContact O-CB 3.31Å; I108-F146 WeakPolarHBondContact O-CB 3.39Å; M136-F146 HydrophobicContact CB-CD2 4.27Å; M136-F146 HydrophobicContact CB-CE1 4.47Å; M136-F146 HydrophobicContact CB-CE2 3.99Å; M136-F146 HydrophobicContact CB-CZ 4.08Å; M136-F146 WeakPolarHBondContact CB-O 3.27Å; M136-F146 HydrophobicContact CG-CD2 3.93Å; M136-F146 HydrophobicContact CG-CE2 3.57Å; M136-F146 HydrophobicContact CG-CZ 4.1Å; M136-F146 PolarHBondContact N-O 3.4Å; R144-F146 VanDerWaalsContact C-N 3.31Å; R144-F146 HydrophobicContact CB-CD1 3.83Å; R144-F146 HydrophobicContact CB-CE1 3.6Å; R144-F146 WeakPolarHBondContact O-CD1 3.2Å; F146-F148 AromaticContact CD2-CE2 4Å; F146-F148 HydrophobicContact CD2-CE2 4Å; F146-F148 HydrophobicContact CE2-CE2 4.04Å
147G92.6Very high88.5Confident0 Ų047.6 Ų47.60%024%0.239CC..EExtended strand (participates in β ladder)trans-158.1-178.7178.900000112I108 R134I108-G147 PolarHBondContact N-O 2.97Å; I108-G147 PolarHBondContact O-N 3.37Å; R134-G147 CarbonylContact O-C 3.53Å; R134-G147 WeakPolarHBondContact O-CA 3.24Å
148F92.6Very high88.7Confident39 Ų3952.2 Ų52.217%0.17126%0.259CS..EExtended strand (participates in β ladder)trans-135138.6-178.8-63-99.1000109.9E105 V106 F107 F133 R134 M136 F146E105-F148 HydrophobicContact CG-CB 4.15Å; E105-F148 HydrophobicContact CG-CD1 4.23Å; E105-F148 VanDerWaalsContact OE2-CD1 3.29Å; E105-F148 WeakPolarHBondContact OE2-CD1 3.24Å; V106-F148 CarbonylContact O-C 3.49Å; V106-F148 VanDerWaalsContact O-CA 3.32Å; V106-F148 WeakPolarHBondContact O-CA 3.19Å; F107-F148 HydrophobicContact CB-CE1 4.41Å; F107-F148 HydrophobicContact CD2-CD1 4.34Å; F107-F148 AromaticContact CD2-CE1 3.77Å; F107-F148 HydrophobicContact CD2-CE1 3.77Å; F107-F148 HydrophobicContact CD2-CE2 4.39Å; F107-F148 AromaticContact CD2-CZ 3.79Å; F107-F148 HydrophobicContact CD2-CZ 3.79Å; F107-F148 HydrophobicContact CE2-CZ 4.28Å; F133-F148 CarbonylContact C-O 3.55Å; R134-F148 PolarHBondContact N-O 2.69Å; R134-F148 PolarHBondContact O-N 3.22Å; M136-F148 HydrophobicContact CE-CD2 3.68Å; M136-F148 HydrophobicContact CE-CE2 3.63Å; M136-F148 HydrophobicContact CG-CE2 4.43Å; F146-F148 AromaticContact CD2-CE2 4Å; F146-F148 HydrophobicContact CD2-CE2 4Å; F146-F148 HydrophobicContact CE2-CE2 4.04Å
149C92.8Very high89Confident0 Ų053.4 Ų53.40%026%0.261CS..EExtended strand (participates in β ladder)trans-125.6116.9176.4-176.80000110.2E105 V106 I108 F133E105-C149 CarbonylContact C-O 3.6Å; E105-C149 WeakPolarHBondContact CA-O 3.45Å; V106-C149 PolarHBondContact N-O 3.13Å; V106-C149 PolarHBondContact O-N 3.36Å; I108-C149 HydrophobicContact CD1-CB 3.73Å; F133-C149 HydrophobicContact CD2-CB 3.83Å; F133-C149 HydrophobicContact CE2-CB 4.17Å
150V91.9Very high89.6Confident15 Ų1545.2 Ų45.29%0.09122%0.218CC..EExtended strand (participates in β ladder)trans-93.4119.4173.4-172.10000108.5P100 C104 E105 Y131 M132P100-V150 HydrophobicContact CB-CG1 4.13Å; P100-V150 HydrophobicContact CG-CG1 4.1Å; C104-V150 CarbonylContact O-C 3.54Å; C104-V150 WeakPolarHBondContact O-CA 3.39Å; E105-V150 HydrophobicContact CB-CG2 4.07Å; E105-V150 HydrophobicContact CG-CG2 3.84Å; Y131-V150 WeakPolarHBondContact CA-O 3.43Å; Y131-V150 HydrophobicContact CD1-CB 4.28Å; Y131-V150 HydrophobicContact CD1-CG1 3.92Å; Y131-V150 PolarHBondContact N-O 2.9Å; M132-V150 HydrophobicContact CB-CB 4.3Å; M132-V150 HydrophobicContact CB-CG2 4.4Å; M132-V150 HydrophobicContact CE-CG2 3.71Å; M132-V150 PolarHBondContact N-O 3.42Å; M132-V150 VanDerWaalsContact N-O 3.11Å; M132-V150 PolarHBondContact O-N 3.2Å
151Y92.7Very high90.2Very high0 Ų043.4 Ų43.40%021%0.21CC..EExtended strand (participates in β ladder)trans-88.9165169.4-73.5-82.5000110.8P100 C104 V106 F124 I127 G128 I130 N153 D156 A160P100-Y151 WeakPolarHBondContact CB-O 3.31Å; P100-Y151 WeakPolarHBondContact CG-O 3.31Å; C104-Y151 PolarHBondContact O-N 3.44Å; V106-Y151 HydrophobicContact CG2-CD2 3.97Å; V106-Y151 HydrophobicContact CG2-CE2 3.89Å; F124-Y151 WeakPolarHBondContact CA-OH 3.25Å; F124-Y151 WeakPolarHBondContact CB-OH 3.4Å; F124-Y151 WeakPolarHBondContact CD1-OH 3.05Å; F124-Y151 WeakPolarHBondContact O-CE1 3.34Å; F124-Y151 PolarHBondContact O-OH 2.69Å; I127-Y151 HydrophobicContact CB-CE1 4.29Å; G128-Y151 WeakPolarHBondContact O-CE1 3.5Å; I130-Y151 HydrophobicContact CG1-CE1 4.16Å; Y151-N153 VanDerWaalsContact C-N 3.32Å; Y151-D156 HydrophobicContact CD1-CB 4.14Å; Y151-D156 HydrophobicContact CG-CB 4.27Å; Y151-A160 HydrophobicContact CE2-CB 3.62Å
152T89.1Confident90.8Very high16 Ų1648.9 Ų48.910%0.09822%0.224CC..SBendtrans-68.7-34.2171.9670000112W95 P129W95-T152 HydrophobicContact CE3-CG2 4.34Å; W95-T152 HydrophobicContact CH2-CG2 3.31Å; W95-T152 HydrophobicContact CZ2-CG2 4.17Å; W95-T152 HydrophobicContact CZ3-CG2 3.41Å; W95-T152 VanDerWaalsContact CZ3-CG2 3.41Å; P129-T152 HydrophobicContact CB-CG2 4.13Å; P129-T152 HydrophobicContact CG-CG2 3.98Å; P129-T152 PolarHBondContact O-N 3.09Å
153N88.7Confident91.2Very high74 Ų7451.3 Ų51.340%0.39623%0.234SC..  trans-118.4149.4-170.9-48-38.9000111.9Y151 E155 D156 T157Y151-N153 VanDerWaalsContact C-N 3.32Å; N153-E155 VanDerWaalsContact C-N 3.26Å; N153-E155 PolarHBondContact O-N 3.44Å; N153-D156 HydrophobicContact CB-CB 4.5Å; N153-D156 WeakPolarHBondContact CB-OD2 3.46Å; N153-D156 PolarHBondContact ND2-OD2 3.24Å; N153-T157 PolarHBondContact O-N 3.31Å; N153-T157 PolarHBondContact O-OG1 2.91Å
154R88.4Confident91.3Very high120 Ų12051.6 Ų51.645%0.45324%0.236SC..Hα-helixtrans-73-24.5175.2-179.8176.5-79-169.2-6.7111.7R102 C104 T157 K158R102-R154 PolarHBondContact O-NH2 3.03Å; C104-R154 PolarHBondContact SG-N 3.17Å; C104-R154 VanDerWaalsContact SG-N 3.39Å; R154-T157 WeakPolarHBondContact O-CB 3.42Å; R154-T157 PolarHBondContact O-N 3.35Å; R154-K158 WeakPolarHBondContact O-CG 3.49Å; R154-K158 PolarHBondContact O-N 2.94Å
155E90.2Very high91.3Very high105 Ų10547.9 Ų47.949%0.49123%0.226SC..Hα-helixtrans-73.5-45.6-177.4-71.948.9-113.700109.9N153 T157 K158 R159N153-E155 VanDerWaalsContact C-N 3.26Å; N153-E155 PolarHBondContact O-N 3.44Å; E155-T157 VanDerWaalsContact C-N 3.31Å; E155-T157 PolarHBondContact O-N 3.14Å; E155-K158 PolarHBondContact O-N 3.2Å; E155-K158 IonicContact OE1-NZ 3.7Å; E155-R159 WeakPolarHBondContact O-CG 3.35Å; E155-R159 PolarHBondContact O-N 3.31Å
156D92.3Very high91.1Very high21 Ų2150.8 Ų50.811%0.11224%0.238CC..Hα-helixtrans-66.3-34.5172.3-59.8-45000111.7I127 Y151 N153 K158 R159 A160I127-D156 HydrophobicContact CG2-CB 4.33Å; I127-D156 WeakPolarHBondContact CG2-O 3.34Å; Y151-D156 HydrophobicContact CD1-CB 4.14Å; Y151-D156 HydrophobicContact CG-CB 4.27Å; N153-D156 HydrophobicContact CB-CB 4.5Å; N153-D156 WeakPolarHBondContact CB-OD2 3.46Å; N153-D156 PolarHBondContact ND2-OD2 3.24Å; D156-K158 PolarHBondContact O-N 2.83Å; D156-R159 PolarHBondContact O-N 3.1Å; D156-R159 IonicContact OD1-NH1 3.65Å; D156-R159 PolarHBondContact OD1-NH1 2.88Å; D156-A160 WeakPolarHBondContact O-CB 3.43Å; D156-A160 PolarHBondContact O-N 3.33Å
157T91.3Very high91Very high1 Ų151.6 Ų51.61%0.00624%0.239CC..Hα-helixtrans-59.6-43.8171.6-58.30000112C104 V106 N153 R154 E155 V161 L179C104-T157 VanDerWaalsContact C-OG1 3.29Å; C104-T157 VanDerWaalsContact CA-OG1 3.26Å; C104-T157 WeakPolarHBondContact CA-OG1 3.28Å; C104-T157 PolarHBondContact O-OG1 3.31Å; V106-T157 HydrophobicContact CG2-CG2 3.66Å; N153-T157 PolarHBondContact O-N 3.31Å; N153-T157 PolarHBondContact O-OG1 2.91Å; R154-T157 WeakPolarHBondContact O-CB 3.42Å; R154-T157 PolarHBondContact O-N 3.35Å; E155-T157 VanDerWaalsContact C-N 3.31Å; E155-T157 PolarHBondContact O-N 3.14Å; T157-V161 PolarHBondContact O-N 2.99Å; T157-L179 HydrophobicContact CG2-CD2 3.77Å
158K90.8Very high90.9Very high99 Ų9956.8 Ų56.843%0.4326%0.263SS..Hα-helixtrans-66.8-43.5174.5-72.4166.2-178.7165.20111.7R154 E155 D156 V161 Q162R154-K158 WeakPolarHBondContact O-CG 3.49Å; R154-K158 PolarHBondContact O-N 2.94Å; E155-K158 PolarHBondContact O-N 3.2Å; E155-K158 IonicContact OE1-NZ 3.7Å; D156-K158 PolarHBondContact O-N 2.83Å; K158-V161 PolarHBondContact O-N 3.22Å; K158-Q162 WeakPolarHBondContact O-CG 3.14Å; K158-Q162 PolarHBondContact O-N 2.85Å
159R92.9Very high90.6Very high82 Ų8256.4 Ų56.431%0.30926%0.263SS..Hα-helixtrans-60.9-43.9177.6-77.8179.855.9-127-12.8112.3I127 E155 D156 V161 Q162 E163I127-R159 HydrophobicContact CG2-CB 3.78Å; I127-R159 PolarHBondContact O-NH1 3.3Å; I127-R159 PolarHBondContact O-NH2 3.11Å; E155-R159 WeakPolarHBondContact O-CG 3.35Å; E155-R159 PolarHBondContact O-N 3.31Å; D156-R159 PolarHBondContact O-N 3.1Å; D156-R159 IonicContact OD1-NH1 3.65Å; D156-R159 PolarHBondContact OD1-NH1 2.88Å; R159-V161 PolarHBondContact O-N 3.03Å; R159-Q162 CarbonylContact O-C 3.53Å; R159-Q162 WeakPolarHBondContact O-CA 3.48Å; R159-Q162 PolarHBondContact O-N 3.05Å; R159-E163 WeakPolarHBondContact CB-OE1 3.08Å; R159-E163 IonicContact CZ-OE1 3.66Å; R159-E163 IonicContact NE-OE1 2.83Å; R159-E163 PolarHBondContact NE-OE1 2.91Å; R159-E163 IonicContact NH2-OE1 3.65Å; R159-E163 PolarHBondContact NH2-OE1 3.32Å; R159-E163 IonicContact NH2-OE2 2.6Å; R159-E163 PolarHBondContact NH2-OE2 3.45Å; R159-E163 WeakPolarHBondContact O-CB 3.33Å; R159-E163 WeakPolarHBondContact O-CG 3.48Å; R159-E163 PolarHBondContact O-N 3.12Å
160A93.2Very high90.2Very high0 Ų059.7 Ų59.70%028%0.275CS..Hα-helixtrans-57.7-37.8176.800000112.4V106 I127 Y151 D156 Q162 L164V106-A160 HydrophobicContact CG2-CB 4.22Å; I127-A160 HydrophobicContact CG1-CB 4.25Å; I127-A160 HydrophobicContact CG2-CB 4.14Å; Y151-A160 HydrophobicContact CE2-CB 3.62Å; D156-A160 WeakPolarHBondContact O-CB 3.43Å; D156-A160 PolarHBondContact O-N 3.33Å; A160-Q162 VanDerWaalsContact C-N 3.33Å; A160-L164 HydrophobicContact CB-CD1 4.44Å; A160-L164 WeakPolarHBondContact O-CA 3.32Å; A160-L164 VanDerWaalsContact O-CB 3.26Å; A160-L164 WeakPolarHBondContact O-CB 3.43Å; A160-L164 PolarHBondContact O-N 2.92Å
161V92.3Very high89.8Confident35 Ų3568.9 Ų68.921%0.21231%0.314CS..Hα-helixtrans-72.3-25176175.10000112.8V106 T157 K158 R159 N165 V177 C178 L179V106-V161 HydrophobicContact CG1-CG2 4.09Å; V106-V161 HydrophobicContact CG2-CG2 4.48Å; T157-V161 PolarHBondContact O-N 2.99Å; K158-V161 PolarHBondContact O-N 3.22Å; R159-V161 PolarHBondContact O-N 3.03Å; V161-N165 VanDerWaalsContact O-CB 3.24Å; V161-N165 WeakPolarHBondContact O-CB 3.48Å; V161-V177 HydrophobicContact CG2-CG1 4.25Å; V161-C178 VanDerWaalsContact CG2-C 3.49Å; V161-L179 HydrophobicContact CG2-CD2 3.86Å; V161-L179 HydrophobicContact CG2-CG 4.09Å
162Q90.4Very high89.4Confident157 Ų15772.4 Ų72.473%0.73435%0.35SS*.Hα-helixtrans-85.7-40.8176.3-69.3174-1200112.7K158 R159 A160K158-Q162 WeakPolarHBondContact O-CG 3.14Å; K158-Q162 PolarHBondContact O-N 2.85Å; R159-Q162 CarbonylContact O-C 3.53Å; R159-Q162 WeakPolarHBondContact O-CA 3.48Å; R159-Q162 PolarHBondContact O-N 3.05Å; A160-Q162 VanDerWaalsContact C-N 3.33Å
163E91.8Very high89.3Confident101 Ų10175.3 Ų75.347%0.47236%0.361SS..Hα-helixtrans-91.5-32.9-172-64177-132.500112.9I127 R159I127-E163 HydrophobicContact CD1-CB 3.72Å; I127-E163 HydrophobicContact CD1-CG 4.29Å; I127-E163 VanDerWaalsContact CD1-OE2 3.28Å; I127-E163 WeakPolarHBondContact CD1-OE2 3.27Å; R159-E163 WeakPolarHBondContact CB-OE1 3.08Å; R159-E163 IonicContact CZ-OE1 3.66Å; R159-E163 IonicContact NE-OE1 2.83Å; R159-E163 PolarHBondContact NE-OE1 2.91Å; R159-E163 IonicContact NH2-OE1 3.65Å; R159-E163 PolarHBondContact NH2-OE1 3.32Å; R159-E163 IonicContact NH2-OE2 2.6Å; R159-E163 PolarHBondContact NH2-OE2 3.45Å; R159-E163 WeakPolarHBondContact O-CB 3.33Å; R159-E163 WeakPolarHBondContact O-CG 3.48Å; R159-E163 PolarHBondContact O-N 3.12Å
164L90.9Very high89.4Confident7 Ų774.2 Ų74.24%0.03736%0.358CS..SBendtrans-106-5-174-55.2179.2000114.9V123 F124 I127 A160 N166 Y167 V177V123-L164 HydrophobicContact CG1-CD1 4.2Å; V123-L164 HydrophobicContact CG1-CD2 3.78Å; F124-L164 HydrophobicContact CD1-CD1 3.37Å; F124-L164 HydrophobicContact CE1-CD1 3.51Å; F124-L164 HydrophobicContact CG-CD1 4.15Å; F124-L164 HydrophobicContact CZ-CD1 4.37Å; I127-L164 HydrophobicContact CD1-CD1 4.25Å; I127-L164 HydrophobicContact CD1-CD2 4.17Å; I127-L164 HydrophobicContact CD1-CG 3.98Å; I127-L164 HydrophobicContact CG1-CD1 3.64Å; I127-L164 HydrophobicContact CG1-CD2 4.42Å; I127-L164 HydrophobicContact CG1-CG 3.94Å; A160-L164 HydrophobicContact CB-CD1 4.44Å; A160-L164 WeakPolarHBondContact O-CA 3.32Å; A160-L164 VanDerWaalsContact O-CB 3.26Å; A160-L164 WeakPolarHBondContact O-CB 3.43Å; A160-L164 PolarHBondContact O-N 2.92Å; L164-N166 PolarHBondContact O-N 3.15Å; L164-Y167 HydrophobicContact CD2-CD2 4.07Å; L164-Y167 HydrophobicContact CD2-CG 4.38Å; L164-Y167 WeakPolarHBondContact O-CB 3.44Å; L164-Y167 PolarHBondContact O-N 3.35Å; L164-V177 HydrophobicContact CB-CG1 4.49Å; L164-V177 HydrophobicContact CB-CG2 4.03Å; L164-V177 VanDerWaalsContact O-CG2 3.23Å; L164-V177 WeakPolarHBondContact O-CG2 3.36Å
165N88.4Confident89.6Confident49 Ų4968.5 Ų68.526%0.26234%0.336SS..THydrogen-bonded Turntrans-72.2126.1178.5-174.637.4000111.2V161 Y167 V177V161-N165 VanDerWaalsContact O-CB 3.24Å; V161-N165 WeakPolarHBondContact O-CB 3.48Å; N165-Y167 VanDerWaalsContact C-N 3.28Å; N165-V177 HydrophobicContact CB-CB 4.07Å; N165-V177 PolarHBondContact OD1-N 3.41Å; N165-V177 PolarHBondContact OD1-O 3.02Å
166N88Confident89.6Confident77 Ų7764 Ų6441%0.41232%0.318SS..THydrogen-bonded Turntrans65.618.6-166.3-54.8-55.8000115.1L164 T174 I175L164-N166 PolarHBondContact O-N 3.15Å; N166-T174 WeakPolarHBondContact O-CB 3.43Å; N166-T174 WeakPolarHBondContact O-CG2 3.5Å; N166-I175 WeakPolarHBondContact CA-O 3.43Å; N166-I175 PolarHBondContact N-O 3.48Å
167Y89.4Confident89.6Confident86 Ų8663 Ų6334%0.33731%0.313SS..  trans-62.3135.7173.4-175.9-86.2000112V123 L164 N165 I169 T174 I175V123-Y167 HydrophobicContact CG1-CD1 3.98Å; V123-Y167 HydrophobicContact CG1-CE1 3.79Å; V123-Y167 HydrophobicContact CG1-CG 4.46Å; V123-Y167 HydrophobicContact CG2-CE1 3.98Å; L164-Y167 HydrophobicContact CD2-CD2 4.07Å; L164-Y167 HydrophobicContact CD2-CG 4.38Å; L164-Y167 WeakPolarHBondContact O-CB 3.44Å; L164-Y167 PolarHBondContact O-N 3.35Å; N165-Y167 VanDerWaalsContact C-N 3.28Å; Y167-I169 HydrophobicContact CD1-CG1 3.97Å; Y167-I169 HydrophobicContact CE1-CG1 4.29Å; Y167-I169 PolarHBondContact O-N 3.47Å; Y167-T174 CarbonylContact O-C 3.5Å; Y167-T174 VanDerWaalsContact O-CA 3.23Å; Y167-T174 WeakPolarHBondContact O-CA 3.45Å; Y167-I175 WeakPolarHBondContact O-CG1 3.42Å; Y167-I175 PolarHBondContact O-N 3.2Å
168E90Very high89.5Confident109 Ų10965 Ų6551%0.50933%0.326SS..EExtended strand (participates in β ladder)trans-91.595.8-177.6-171.1176.9-167.800111.3R170 K171 G172 T174E168-R170 VanDerWaalsContact CG-O 3.32Å; E168-R170 WeakPolarHBondContact CG-O 3.05Å; E168-K171 VanDerWaalsContact OE1-CA 3.25Å; E168-K171 WeakPolarHBondContact OE1-CA 3.5Å; E168-G172 PolarHBondContact OE1-N 3.4Å; E168-T174 HydrophobicContact CB-CG2 4.01Å; E168-T174 HydrophobicContact CG-CG2 4.4Å
169I87.6Confident89.4Confident31 Ų3164.7 Ų64.716%0.15933%0.328CS..EExtended strand (participates in β ladder)trans-71.1-40.7177.5-58.1-175.6000110.9E119 L120 Y167 K173 I175E119-I169 HydrophobicContact CB-CG2 4.27Å; L120-I169 HydrophobicContact CD2-CD1 3.51Å; Y167-I169 HydrophobicContact CD1-CG1 3.97Å; Y167-I169 HydrophobicContact CE1-CG1 4.29Å; Y167-I169 PolarHBondContact O-N 3.47Å; I169-K173 PolarHBondContact N-O 3.38Å; I169-I175 HydrophobicContact CD1-CB 4.49Å; I169-I175 HydrophobicContact CD1-CD1 4.1Å; I169-I175 HydrophobicContact CD1-CG1 4.23Å; I169-I175 HydrophobicContact CD1-CG2 3.5Å; I169-I175 VanDerWaalsContact CD1-CG2 3.5Å; I169-I175 HydrophobicContact CG1-CD1 4.4Å; I169-I175 HydrophobicContact CG1-CG1 4.27Å; I169-I175 HydrophobicContact CG1-CG2 4.13Å
170R84.6Confident89Confident69 Ų6961.5 Ų61.526%0.2632%0.319SS..EExtended strand (participates in β ladder)trans-135.6151.9177.6-60.6-173.1-175.7168.8-0109.3D114 E119 E168 G172 K173D114-R170 VanDerWaalsContact O-CZ 3.26Å; D114-R170 PolarHBondContact O-NH1 3.36Å; D114-R170 PolarHBondContact O-NH2 3.45Å; D114-R170 IonicContact OD2-CZ 2.59Å; D114-R170 IonicContact OD2-NH1 3.82Å; D114-R170 PolarHBondContact OD2-NH1 2.95Å; E119-R170 VanDerWaalsContact CD-NE 3.33Å; E119-R170 IonicContact OE1-CZ 2.72Å; E119-R170 IonicContact OE1-NE 3.28Å; E119-R170 PolarHBondContact OE1-NE 2.79Å; E119-R170 IonicContact OE1-NH2 2.73Å; E119-R170 PolarHBondContact OE1-NH2 3.19Å; E119-R170 IonicContact OE2-CZ 2.83Å; E119-R170 VanDerWaalsContact OE2-CZ 3.28Å; E119-R170 IonicContact OE2-NE 3.94Å; E119-R170 PolarHBondContact OE2-NE 3.18Å; E119-R170 IonicContact OE2-NH2 2.74Å; E119-R170 PolarHBondContact OE2-NH2 3.37Å; E168-R170 VanDerWaalsContact CG-O 3.32Å; E168-R170 WeakPolarHBondContact CG-O 3.05Å; R170-G172 PolarHBondContact O-N 3.24Å; R170-G172 VanDerWaalsContact O-N 3.08Å; R170-K173 HydrophobicContact CB-CB 4.47Å; R170-K173 WeakPolarHBondContact O-CA 3.31Å; R170-K173 PolarHBondContact O-N 2.89Å
171K83Confident88.3Confident207 Ų20766.3 Ų66.390%0.935%0.348SS*.THydrogen-bonded Turntrans-46.8113.3-178.3-64.8-178.8179.9179.10112.2E168E168-K171 VanDerWaalsContact OE1-CA 3.25Å; E168-K171 WeakPolarHBondContact OE1-CA 3.5Å
172G83Confident87.6Confident74 Ų7467.2 Ų67.276%0.76335%0.352SS*.THydrogen-bonded Turntrans78.78.1-178.400000116.3E168 R170E168-G172 PolarHBondContact OE1-N 3.4Å; R170-G172 PolarHBondContact O-N 3.24Å; R170-G172 VanDerWaalsContact O-N 3.08Å
173K87.2Confident87.2Confident77 Ų7760.9 Ų60.934%0.33532%0.323SS..EExtended strand (participates in β ladder)trans-124.1102.8179.1-59.9-171-174.6175.20110.9P112 D114 I169 R170P112-K173 HydrophobicContact CB-CD 3.65Å; P112-K173 HydrophobicContact CG-CB 4.12Å; P112-K173 HydrophobicContact CG-CD 3.66Å; D114-K173 IonicContact OD1-NZ 3.64Å; D114-K173 PolarHBondContact OD1-NZ 2.91Å; D114-K173 IonicContact OD2-NZ 2.69Å; D114-K173 PolarHBondContact OD2-NZ 2.99Å; I169-K173 PolarHBondContact N-O 3.38Å; R170-K173 HydrophobicContact CB-CB 4.47Å; R170-K173 WeakPolarHBondContact O-CA 3.31Å; R170-K173 PolarHBondContact O-N 2.89Å
174T90.8Very high87Confident52 Ų5256.3 Ų56.332%0.31930%0.302SS..EExtended strand (participates in β ladder)trans-100.3138.1177.155.30000112.8K110 N166 Y167 E168K110-T174 WeakPolarHBondContact CB-O 3.23Å; N166-T174 WeakPolarHBondContact O-CB 3.43Å; N166-T174 WeakPolarHBondContact O-CG2 3.5Å; Y167-T174 CarbonylContact O-C 3.5Å; Y167-T174 VanDerWaalsContact O-CA 3.23Å; Y167-T174 WeakPolarHBondContact O-CA 3.45Å; E168-T174 HydrophobicContact CB-CG2 4.01Å; E168-T174 HydrophobicContact CG-CG2 4.4Å
175I92.7Very high87.1Confident0 Ų058.3 Ų58.30%031%0.309CS..PPolyproline II helixtrans-82.1141.9172.949.2162.7000111.5I108 I111 F124 N166 Y167 I169 V177I108-I175 HydrophobicContact CG2-CB 4.43Å; I108-I175 HydrophobicContact CG2-CG2 4.42Å; I111-I175 HydrophobicContact CG1-CG2 4.41Å; F124-I175 HydrophobicContact CE2-CD1 4.27Å; F124-I175 HydrophobicContact CZ-CD1 3.71Å; N166-I175 WeakPolarHBondContact CA-O 3.43Å; N166-I175 PolarHBondContact N-O 3.48Å; Y167-I175 WeakPolarHBondContact O-CG1 3.42Å; Y167-I175 PolarHBondContact O-N 3.2Å; I169-I175 HydrophobicContact CD1-CB 4.49Å; I169-I175 HydrophobicContact CD1-CD1 4.1Å; I169-I175 HydrophobicContact CD1-CG1 4.23Å; I169-I175 HydrophobicContact CD1-CG2 3.5Å; I169-I175 VanDerWaalsContact CD1-CG2 3.5Å; I169-I175 HydrophobicContact CG1-CD1 4.4Å; I169-I175 HydrophobicContact CG1-CG1 4.27Å; I169-I175 HydrophobicContact CG1-CG2 4.13Å; I175-V177 HydrophobicContact CB-CG2 4.45Å; I175-V177 HydrophobicContact CD1-CG2 3.64Å; I175-V177 HydrophobicContact CG1-CG2 4.07Å
176G91.2Very high87.3Confident11 Ų1156 Ų5611%0.11330%0.297CS..EExtended strand (participates in β ladder)trans-93.1127.216700000109.6I108 G109I108-G176 WeakPolarHBondContact CA-O 3.25Å; G109-G176 PolarHBondContact N-O 3.23Å; G109-G176 PolarHBondContact O-N 3.19Å
177V92.1Very high87.6Confident0 Ų055.4 Ų55.40%029%0.291CS..EExtended strand (participates in β ladder)trans-124.9123.2-175.1-173.70000108.8V106 F124 V161 L164 N165 I175V106-V177 HydrophobicContact CG1-CG1 3.28Å; F124-V177 HydrophobicContact CE1-CG1 4.31Å; F124-V177 HydrophobicContact CE1-CG2 4.35Å; F124-V177 HydrophobicContact CZ-CG2 4.33Å; V161-V177 HydrophobicContact CG2-CG1 4.25Å; L164-V177 HydrophobicContact CB-CG1 4.49Å; L164-V177 HydrophobicContact CB-CG2 4.03Å; L164-V177 VanDerWaalsContact O-CG2 3.23Å; L164-V177 WeakPolarHBondContact O-CG2 3.36Å; N165-V177 HydrophobicContact CB-CB 4.07Å; N165-V177 PolarHBondContact OD1-N 3.41Å; N165-V177 PolarHBondContact OD1-O 3.02Å; I175-V177 HydrophobicContact CB-CG2 4.45Å; I175-V177 HydrophobicContact CD1-CG2 3.64Å; I175-V177 HydrophobicContact CG1-CG2 4.07Å
178C89.9Confident87.7Confident41 Ų4151.4 Ų51.428%0.27728%0.275SS..EExtended strand (participates in β ladder)trans-142.5155.3-172.7-70.50000110.7V106 F107 V161 S180V106-C178 CarbonylContact C-O 3.23Å; V106-C178 WeakPolarHBondContact CA-O 3.36Å; V106-C178 WeakPolarHBondContact CG1-O 3.47Å; F107-C178 PolarHBondContact N-O 3.07Å; F107-C178 PolarHBondContact O-N 3.16Å; V161-C178 VanDerWaalsContact CG2-C 3.49Å; C178-S180 PolarHBondContact O-N 3.45Å
179L88.3Confident87.8Confident93 Ų9346.5 Ų46.549%0.48725%0.253SS..EExtended strand (participates in β ladder)trans-61.2132.1172.1-64.2174.2000109.5T157 V161T157-L179 HydrophobicContact CG2-CD2 3.77Å; V161-L179 HydrophobicContact CG2-CD2 3.86Å; V161-L179 HydrophobicContact CG2-CG 4.09Å
180S84Confident87.7Confident15 Ų1546.8 Ų46.811%0.10527%0.265CS..  trans-71132.6176.1-168.60000109.9E105 C178 D182E105-S180 WeakPolarHBondContact O-CB 3.41Å; E105-S180 PolarHBondContact O-N 3.1Å; E105-S180 VanDerWaalsContact OE2-CB 3.27Å; E105-S180 WeakPolarHBondContact OE2-CB 3.4Å; E105-S180 PolarHBondContact OE2-OG 3.2Å; C178-S180 PolarHBondContact O-N 3.45Å; S180-D182 PolarHBondContact O-N 3.21Å
181V78.2Confident88Confident101 Ų10143.8 Ų43.861%0.61225%0.254SS*.  trans-94.298.9178.2-179.10000108.5N183 P266V181-N183 PolarHBondContact O-N 3.06Å; V181-P266 HydrophobicContact CG1-CB 3.91Å; V181-P266 HydrophobicContact CG1-CG 4.03Å
182D78.1Confident88.3Confident54 Ų5434.6 Ų34.629%0.28922%0.215SC..  trans-59.768.3174.9-98.7-47.5000111.9R102 G103 S180 C184R102-D182 WeakPolarHBondContact CA-OD2 3.49Å; R102-D182 WeakPolarHBondContact CB-OD2 3.13Å; G103-D182 PolarHBondContact N-OD2 3.02Å; G103-D182 VanDerWaalsContact N-OD2 3.16Å; S180-D182 PolarHBondContact O-N 3.21Å; D182-C184 VanDerWaalsContact C-N 3.29Å; D182-C184 PolarHBondContact O-N 3.24Å; D182-C184 PolarHBondContact O-SG 3.42Å; D182-C184 VanDerWaalsContact O-SG 3.34Å
183N82.3Confident88.6Confident24 Ų2437 Ų3713%0.12820%0.204CC..  trans-7287.3-178.2-164.1-15.7000110.2V181 R185 H237 W263 A264V181-N183 PolarHBondContact O-N 3.06Å; N183-R185 VanDerWaalsContact C-N 3.35Å; N183-R185 PolarHBondContact OD1-N 2.79Å; N183-R185 PolarHBondContact OD1-O 3.41Å; N183-R185 VanDerWaalsContact OD1-O 3.1Å; N183-H237 PolarHBondContact O-ND1 3.38Å; N183-W263 HydrophobicContact CB-CE3 4.33Å; N183-W263 WeakPolarHBondContact O-CZ3 3.32Å; N183-A264 PolarHBondContact ND2-O 3.21Å
184C88.1Confident88.7Confident5 Ų538.8 Ų38.83%0.03422%0.218CC..  trans-94.28.4179.4-60.40000112.2D182 Y234 S236 H237D182-C184 VanDerWaalsContact C-N 3.29Å; D182-C184 PolarHBondContact O-N 3.24Å; D182-C184 PolarHBondContact O-SG 3.42Å; D182-C184 VanDerWaalsContact O-SG 3.34Å; C184-Y234 PolarHBondContact O-N 2.87Å; C184-S236 VanDerWaalsContact SG-C 3.56Å; C184-H237 PolarHBondContact SG-N 2.87Å
185R91.8Very high88.6Confident50 Ų5038.3 Ų38.319%0.18921%0.211CC..EExtended strand (participates in β ladder)trans-118.5120.5-168.4-160.5-175.8-154.5169.37110.3N183 I215 F231 I232 A264 E267N183-R185 VanDerWaalsContact C-N 3.35Å; N183-R185 PolarHBondContact OD1-N 2.79Å; N183-R185 PolarHBondContact OD1-O 3.41Å; N183-R185 VanDerWaalsContact OD1-O 3.1Å; R185-I215 VanDerWaalsContact NH2-CD1 3.35Å; R185-F231 HydrophobicContact CG-CB 4.23Å; R185-I232 CarbonylContact C-O 3.57Å; R185-I232 VanDerWaalsContact CA-O 3.29Å; R185-I232 WeakPolarHBondContact CA-O 3.49Å; R185-A264 HydrophobicContact CB-CB 3.88Å; R185-A264 HydrophobicContact CG-CB 3.82Å; R185-A264 VanDerWaalsContact O-CB 3.23Å; R185-A264 WeakPolarHBondContact O-CB 3.3Å; R185-A264 PolarHBondContact O-N 2.79Å; R185-E267 IonicContact CZ-OE2 2.81Å; R185-E267 IonicContact NH1-OE2 2.74Å; R185-E267 PolarHBondContact NH1-OE2 2.99Å; R185-E267 IonicContact NH2-OE2 2.75Å
186L92.9Very high88.4Confident0 Ų041.4 Ų41.40%023%0.23CC..EExtended strand (participates in β ladder)trans-98.8142.6172.9-60.5-175.1000110.6F231 I232 Y234 A240 A243 R244 V261 D262 W263L186-F231 CarbonylContact O-C 3.49Å; L186-F231 VanDerWaalsContact O-CA 3.26Å; L186-F231 WeakPolarHBondContact O-CA 3.25Å; L186-I232 PolarHBondContact N-O 3.06Å; L186-I232 PolarHBondContact O-N 3.07Å; L186-Y234 HydrophobicContact CB-CE2 4.32Å; L186-Y234 HydrophobicContact CD1-CD2 4.46Å; L186-Y234 HydrophobicContact CD1-CE2 3.66Å; L186-Y234 HydrophobicContact CG-CD2 4.3Å; L186-Y234 HydrophobicContact CG-CE2 3.84Å; L186-A240 HydrophobicContact CD2-CB 4.32Å; L186-A240 HydrophobicContact CG-CB 4.35Å; L186-A243 HydrophobicContact CD1-CB 3.85Å; L186-R244 HydrophobicContact CD1-CB 4.07Å; L186-R244 HydrophobicContact CD2-CB 3.99Å; L186-R244 HydrophobicContact CD2-CG 4.48Å; L186-V261 HydrophobicContact CB-CG1 4.37Å; L186-V261 HydrophobicContact CD1-CG1 3.94Å; L186-D262 CarbonylContact C-O 3.59Å; L186-D262 WeakPolarHBondContact CA-O 3.13Å; L186-W263 HydrophobicContact CD2-CD2 4.15Å; L186-W263 HydrophobicContact CD2-CE3 3.49Å; L186-W263 VanDerWaalsContact CD2-CE3 3.49Å; L186-W263 HydrophobicContact CD2-CH2 4.44Å; L186-W263 HydrophobicContact CD2-CZ3 3.65Å
187F93.5Very high88.4Confident65 Ų6545.3 Ų45.329%0.28524%0.241SC..EExtended strand (participates in β ladder)trans-88.1130161.5172.2-92000108.7F229 F231 V261 D262F187-F229 HydrophobicContact CD2-CD2 4.27Å; F187-F229 HydrophobicContact CE2-CB 3.64Å; F187-F229 HydrophobicContact CE2-CD1 4.38Å; F187-F229 AromaticContact CE2-CD2 3.61Å; F187-F229 HydrophobicContact CE2-CD2 3.61Å; F187-F229 HydrophobicContact CE2-CE2 4.34Å; F187-F229 AromaticContact CE2-CG 3.64Å; F187-F229 HydrophobicContact CE2-CG 3.64Å; F187-F229 HydrophobicContact CZ-CB 3.74Å; F187-F229 HydrophobicContact CZ-CD2 4.49Å; F187-F229 HydrophobicContact CZ-CG 4.08Å; F187-F231 HydrophobicContact CB-CD1 4.26Å; F187-F231 HydrophobicContact CB-CE1 4.13Å; F187-F231 HydrophobicContact CD2-CD1 4.33Å; F187-F231 AromaticContact CD2-CE1 3.77Å; F187-F231 HydrophobicContact CD2-CE1 3.77Å; F187-F231 HydrophobicContact CD2-CZ 4.01Å; F187-F231 HydrophobicContact CG-CE1 4.45Å; F187-V261 WeakPolarHBondContact O-CA 3.49Å; F187-D262 PolarHBondContact N-O 2.69Å; F187-D262 PolarHBondContact O-N 2.8Å
188V91.9Very high88.3Confident1 Ų150.7 Ų50.71%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-124.4105.3174.3-178.70000109I191 F229 A230 I232 I259 A260 V261V188-I191 HydrophobicContact CB-CD1 4.38Å; V188-I191 HydrophobicContact CG1-CD1 4.1Å; V188-I191 HydrophobicContact CG1-CG1 4.12Å; V188-I191 WeakPolarHBondContact O-CD1 3.09Å; V188-F229 CarbonylContact O-C 3.57Å; V188-F229 WeakPolarHBondContact O-CA 3.42Å; V188-F229 WeakPolarHBondContact O-CB 3.37Å; V188-A230 PolarHBondContact N-O 3Å; V188-A230 PolarHBondContact O-N 3.11Å; V188-I232 HydrophobicContact CB-CD1 4.27Å; V188-I232 HydrophobicContact CG2-CD1 3.52Å; V188-I232 HydrophobicContact CG2-CG1 4.1Å; V188-I259 HydrophobicContact CG1-CB 4.3Å; V188-I259 HydrophobicContact CG1-CG2 4.34Å; V188-A260 WeakPolarHBondContact CA-O 3.23Å; V188-V261 HydrophobicContact CB-CG2 4.5Å; V188-V261 HydrophobicContact CG1-CG2 4.17Å; V188-V261 HydrophobicContact CG2-CG1 4.24Å; V188-V261 HydrophobicContact CG2-CG2 3.97Å
189G91.6Very high88.4Confident6 Ų652.5 Ų52.56%0.06227%0.271CS..EExtended strand (participates in β ladder)trans-96.6166.117200000112.7I259 A260G189-I259 WeakPolarHBondContact O-CA 3.39Å; G189-A260 PolarHBondContact N-O 2.85Å; G189-A260 PolarHBondContact O-N 3Å
190G87.1Confident88.6Confident38 Ų3848 Ų4839%0.39225%0.248SC..  trans87.211.6-178.200000114G228G190-G228 PolarHBondContact N-O 3.15Å; G190-G228 VanDerWaalsContact N-O 3.08Å
191I90.2Very high89Confident6 Ų649.4 Ų49.43%0.03125%0.253CS..  trans-72.2133.6179.2-56.4-176.1000109.5V188 K193 K195 I200 G228 A230 W255V188-I191 HydrophobicContact CB-CD1 4.38Å; V188-I191 HydrophobicContact CG1-CD1 4.1Å; V188-I191 HydrophobicContact CG1-CG1 4.12Å; V188-I191 WeakPolarHBondContact O-CD1 3.09Å; I191-K193 PolarHBondContact O-N 3.22Å; I191-K195 HydrophobicContact CG2-CB 4.26Å; I191-I200 HydrophobicContact CD1-CD1 4.13Å; I191-I200 HydrophobicContact CD1-CG1 4.42Å; I191-I200 HydrophobicContact CD1-CG2 4.11Å; I191-I200 HydrophobicContact CG2-CD1 3.83Å; I191-I200 HydrophobicContact CG2-CG1 3.95Å; I191-G228 PolarHBondContact N-O 2.83Å; I191-G228 VanDerWaalsContact N-O 3.14Å; I191-A230 HydrophobicContact CD1-CB 3.63Å; I191-W255 HydrophobicContact CG1-CZ3 4.38Å; I191-W255 HydrophobicContact CG2-CH2 4.29Å; I191-W255 HydrophobicContact CG2-CZ3 3.92Å
192P89.1Confident89.6Confident14 Ų1448.2 Ų48.29%0.09125%0.25CC..  trans-60132.9175.7-23.733.9000112N194 K195 N226 W255P192-N194 WeakPolarHBondContact CB-OD1 3.26Å; P192-N194 PolarHBondContact O-N 3.04Å; P192-K195 HydrophobicContact CB-CG 4.14Å; P192-K195 HydrophobicContact CG-CG 4.45Å; P192-K195 PolarHBondContact O-N 3.24Å; P192-K195 VanDerWaalsContact O-N 3.09Å; P192-N226 PolarHBondContact O-ND2 3.11Å; P192-W255 VanDerWaalsContact CD-CE3 3.47Å; P192-W255 HydrophobicContact CG-CB 3.91Å; P192-W255 HydrophobicContact CG-CD2 4.42Å; P192-W255 HydrophobicContact CG-CE3 4.16Å; P192-W255 HydrophobicContact CG-CG 4.38Å
193K89.1Confident90.2Very high124 Ų12447 Ų4754%0.53924%0.243SC..THydrogen-bonded Turntrans-63.2-15-170.9-68.4-172.7177.5-177.80115.2I191 K225 N226I191-K193 PolarHBondContact O-N 3.22Å; K193-K225 HydrophobicContact CB-CB 4.35Å; K193-K225 CarbonylContact O-C 3.59Å; K193-K225 WeakPolarHBondContact O-CA 3.15Å; K193-K225 VanDerWaalsContact O-CB 3.28Å; K193-K225 WeakPolarHBondContact O-CB 3.06Å; K193-N226 PolarHBondContact O-N 3.24Å
194N89.2Confident90.5Very high115 Ų11545.9 Ų45.962%0.61524%0.236SC*.THydrogen-bonded Turntrans-91.92.9178.764.2-34.8000114.2P192P192-N194 WeakPolarHBondContact CB-OD1 3.26Å; P192-N194 PolarHBondContact O-N 3.04Å
195K88.6Confident90.7Very high42 Ų4251 Ų5118%0.18326%0.258CS..  trans-88.4132.5-179.3-66.4-67.3173-167.40112.6I191 P192 E199 I200 N226 W255I191-K195 HydrophobicContact CG2-CB 4.26Å; P192-K195 HydrophobicContact CB-CG 4.14Å; P192-K195 HydrophobicContact CG-CG 4.45Å; P192-K195 PolarHBondContact O-N 3.24Å; P192-K195 VanDerWaalsContact O-N 3.09Å; K195-E199 HydrophobicContact CD-CB 4.15Å; K195-E199 WeakPolarHBondContact CD-OE2 3.26Å; K195-E199 WeakPolarHBondContact CE-OE2 3.25Å; K195-E199 IonicContact NZ-OE1 2.66Å; K195-E199 IonicContact NZ-OE2 2.97Å; K195-E199 PolarHBondContact NZ-OE2 3.2Å; K195-I200 HydrophobicContact CB-CD1 4.44Å; K195-I200 HydrophobicContact CB-CG1 4.1Å; K195-N226 PolarHBondContact O-ND2 3.43Å; K195-W255 VanDerWaalsContact CE-CD1 3.49Å; K195-W255 HydrophobicContact CG-CD2 4.37Å
196T89.6Confident90.6Very high65 Ų6556.7 Ų56.740%0.39928%0.279SS..  trans-78168.8174.583.80000111.6E198 E199 I200T196-E198 WeakPolarHBondContact CB-OE2 3.49Å; T196-E198 PolarHBondContact O-N 2.83Å; T196-E198 PolarHBondContact OG1-N 2.94Å; T196-E198 PolarHBondContact OG1-OE2 2.99Å; T196-E199 PolarHBondContact O-N 3.24Å; T196-E199 PolarHBondContact OG1-N 3.28Å; T196-I200 WeakPolarHBondContact O-CD1 3.35Å; T196-I200 VanDerWaalsContact O-CG1 3.23Å; T196-I200 WeakPolarHBondContact O-CG1 3.43Å; T196-I200 PolarHBondContact O-N 2.91Å; T196-I200 VanDerWaalsContact O-N 3.14Å
197R90.1Very high90.3Very high92 Ų9257.8 Ų57.835%0.34729%0.286SS..Hα-helixtrans-58.8-38.6176.5-176.4-167.5-173.1110.84.3111.5I200 L201 D213 V214R197-I200 PolarHBondContact O-N 2.74Å; R197-L201 WeakPolarHBondContact O-CB 3.4Å; R197-L201 PolarHBondContact O-N 3.44Å; R197-D213 IonicContact CZ-OD1 3.46Å; R197-D213 IonicContact NE-OD1 2.69Å; R197-D213 IonicContact NH2-OD1 2.64Å; R197-D213 PolarHBondContact NH2-OD1 2.95Å; R197-D213 IonicContact NH2-OD2 3.08Å; R197-D213 PolarHBondContact NH2-OD2 2.81Å; R197-V214 WeakPolarHBondContact CG-O 3.44Å; R197-V214 PolarHBondContact NE-O 3.24Å; R197-V214 PolarHBondContact NH2-O 2.82Å; R197-V214 VanDerWaalsContact NH2-O 3.16Å
198E91.6Very high90.1Very high114 Ų11454.7 Ų54.753%0.53327%0.273SS..Hα-helixtrans-72.7-42-176.6-56.366.1-139.500111.4T196 I200 L201 S202T196-E198 WeakPolarHBondContact CB-OE2 3.49Å; T196-E198 PolarHBondContact O-N 2.83Å; T196-E198 PolarHBondContact OG1-N 2.94Å; T196-E198 PolarHBondContact OG1-OE2 2.99Å; E198-I200 VanDerWaalsContact C-N 3.35Å; E198-L201 PolarHBondContact O-N 2.78Å; E198-S202 WeakPolarHBondContact O-CB 3.38Å; E198-S202 PolarHBondContact O-N 2.75Å; E198-S202 PolarHBondContact O-OG 3.31Å
199E91.8Very high90Very high78 Ų7859.9 Ų59.936%0.36430%0.3SS..Hα-helixtrans-63-41.2172.9-73.6-166.4-104.100112K195 T196 S202 E203K195-E199 HydrophobicContact CD-CB 4.15Å; K195-E199 WeakPolarHBondContact CD-OE2 3.26Å; K195-E199 WeakPolarHBondContact CE-OE2 3.25Å; K195-E199 IonicContact NZ-OE1 2.66Å; K195-E199 IonicContact NZ-OE2 2.97Å; K195-E199 PolarHBondContact NZ-OE2 3.2Å; T196-E199 PolarHBondContact O-N 3.24Å; T196-E199 PolarHBondContact OG1-N 3.28Å; E199-S202 PolarHBondContact O-N 3.29Å; E199-E203 WeakPolarHBondContact O-CB 3.32Å; E199-E203 PolarHBondContact O-N 2.72Å
200I91.4Very high89.9Confident0 Ų061.9 Ų61.90%032%0.321CS..Hα-helixtrans-64.4-47.2175-60.2159.3000109.7I191 K195 T196 R197 E198 S202 E203 M204 V214 A230 W255I191-I200 HydrophobicContact CD1-CD1 4.13Å; I191-I200 HydrophobicContact CD1-CG1 4.42Å; I191-I200 HydrophobicContact CD1-CG2 4.11Å; I191-I200 HydrophobicContact CG2-CD1 3.83Å; I191-I200 HydrophobicContact CG2-CG1 3.95Å; K195-I200 HydrophobicContact CB-CD1 4.44Å; K195-I200 HydrophobicContact CB-CG1 4.1Å; T196-I200 WeakPolarHBondContact O-CD1 3.35Å; T196-I200 VanDerWaalsContact O-CG1 3.23Å; T196-I200 WeakPolarHBondContact O-CG1 3.43Å; T196-I200 PolarHBondContact O-N 2.91Å; T196-I200 VanDerWaalsContact O-N 3.14Å; R197-I200 PolarHBondContact O-N 2.74Å; E198-I200 VanDerWaalsContact C-N 3.35Å; I200-S202 VanDerWaalsContact C-N 3.31Å; I200-S202 PolarHBondContact O-N 2.73Å; I200-E203 PolarHBondContact O-N 2.95Å; I200-M204 HydrophobicContact CG2-CG 3.97Å; I200-M204 WeakPolarHBondContact O-CB 3.35Å; I200-M204 WeakPolarHBondContact O-CG 3.28Å; I200-M204 PolarHBondContact O-N 2.8Å; I200-V214 HydrophobicContact CB-CG1 4.04Å; I200-V214 HydrophobicContact CG2-CG1 3.58Å; I200-A230 HydrophobicContact CD1-CB 4.45Å; I200-A230 HydrophobicContact CG2-CB 4.45Å; I200-W255 HydrophobicContact CB-CH2 4.3Å; I200-W255 HydrophobicContact CG1-CH2 3.96Å; I200-W255 HydrophobicContact CG1-CZ2 4.34Å; I200-W255 HydrophobicContact CG2-CH2 4.28Å
201L92.5Very high90.2Very high43 Ų4360.6 Ų60.623%0.22531%0.306CS..Hα-helixtrans-59.6-39.7178.2-177.3147.1000112.6R197 E198 K205 V214R197-L201 WeakPolarHBondContact O-CB 3.4Å; R197-L201 PolarHBondContact O-N 3.44Å; E198-L201 PolarHBondContact O-N 2.78Å; L201-K205 HydrophobicContact CD2-CD 3.83Å; L201-K205 HydrophobicContact CG-CD 4.43Å; L201-K205 WeakPolarHBondContact O-CB 3.45Å; L201-K205 WeakPolarHBondContact O-CG 3.37Å; L201-K205 PolarHBondContact O-N 3.45Å; L201-V214 HydrophobicContact CB-CB 4.18Å; L201-V214 HydrophobicContact CB-CG2 3.86Å; L201-V214 HydrophobicContact CD1-CG2 4.36Å; L201-V214 HydrophobicContact CG-CG2 4.23Å
202S91.7Very high90.3Very high76 Ų7666.1 Ų66.153%0.53133%0.329SS..Hα-helixtrans-67.7-47.8178.5-57.40000111.8E198 E199 I200 M204 K205 R206E198-S202 WeakPolarHBondContact O-CB 3.38Å; E198-S202 PolarHBondContact O-N 2.75Å; E198-S202 PolarHBondContact O-OG 3.31Å; E199-S202 PolarHBondContact O-N 3.29Å; I200-S202 VanDerWaalsContact C-N 3.31Å; I200-S202 PolarHBondContact O-N 2.73Å; S202-M204 VanDerWaalsContact C-N 3.34Å; S202-M204 PolarHBondContact O-N 3.01Å; S202-K205 PolarHBondContact O-N 2.71Å; S202-R206 WeakPolarHBondContact O-CB 3.24Å; S202-R206 PolarHBondContact O-N 2.68Å
203E89.2Confident90.4Very high30 Ų3067.7 Ų67.714%0.1434%0.337CS..Hα-helixtrans-64.4-39.3177.4-175.772.2162.200111.7E199 I200 R206 V207 L254 W255E199-E203 WeakPolarHBondContact O-CB 3.32Å; E199-E203 PolarHBondContact O-N 2.72Å; I200-E203 PolarHBondContact O-N 2.95Å; E203-R206 WeakPolarHBondContact O-CB 3.29Å; E203-R206 PolarHBondContact O-N 3.38Å; E203-R206 IonicContact OE1-CZ 2.64Å; E203-R206 IonicContact OE1-NH2 2.83Å; E203-R206 PolarHBondContact OE1-NH2 2.8Å; E203-R206 IonicContact OE2-CZ 3.16Å; E203-R206 VanDerWaalsContact OE2-CZ 3.25Å; E203-R206 IonicContact OE2-NE 2.62Å; E203-R206 PolarHBondContact OE2-NE 3.01Å; E203-R206 IonicContact OE2-NH2 3.83Å; E203-R206 PolarHBondContact OE2-NH2 2.81Å; E203-V207 WeakPolarHBondContact O-CG2 3.32Å; E203-V207 PolarHBondContact O-N 2.87Å; E203-L254 HydrophobicContact CG-CD1 4.26Å; E203-L254 HydrophobicContact CG-CD2 4.02Å; E203-L254 HydrophobicContact CG-CG 4.49Å; E203-W255 HydrophobicContact CB-CH2 4.21Å; E203-W255 HydrophobicContact CB-CZ2 3.5Å; E203-W255 VanDerWaalsContact CB-CZ2 3.5Å; E203-W255 HydrophobicContact CG-CH2 4.17Å; E203-W255 HydrophobicContact CG-CZ2 3.63Å
204M90Very high90.6Very high0 Ų061.8 Ų61.80%031%0.311CS..Hα-helixtrans-70.4-36.8179.6-70.1-63.3-40.100112.6I200 S202 R206 V207 T208 V211 I232 Y234 L247 L254I200-M204 HydrophobicContact CG2-CG 3.97Å; I200-M204 WeakPolarHBondContact O-CB 3.35Å; I200-M204 WeakPolarHBondContact O-CG 3.28Å; I200-M204 PolarHBondContact O-N 2.8Å; S202-M204 VanDerWaalsContact C-N 3.34Å; S202-M204 PolarHBondContact O-N 3.01Å; M204-R206 VanDerWaalsContact C-N 3.32Å; M204-V207 PolarHBondContact O-N 2.82Å; M204-T208 HydrophobicContact CE-CG2 4.42Å; M204-T208 WeakPolarHBondContact O-CA 3.35Å; M204-T208 PolarHBondContact O-N 3.43Å; M204-T208 VanDerWaalsContact O-O 3.09Å; M204-T208 PolarHBondContact O-OG1 2.87Å; M204-V211 HydrophobicContact CB-CG2 4.4Å; M204-I232 HydrophobicContact CB-CD1 4.22Å; M204-I232 HydrophobicContact CE-CD1 3.33Å; M204-I232 HydrophobicContact CG-CD1 3.52Å; M204-I232 HydrophobicContact SD-CD1 3.58Å; M204-I232 VanDerWaalsContact SD-CD1 3.58Å; M204-Y234 WeakPolarHBondContact CE-OH 3.3Å; M204-L247 HydrophobicContact CE-CD1 3.47Å; M204-L247 VanDerWaalsContact CE-CD1 3.47Å; M204-L247 HydrophobicContact CE-CD2 4.36Å; M204-L254 HydrophobicContact SD-CD1 3.73Å
205K91.6Very high90.6Very high111 Ų11157.9 Ų57.948%0.48329%0.29SS..Hα-helixtrans-68.1-29.5169.8-77.4-176.9179.1-172.40112.9L201 S202 V207 V211L201-K205 HydrophobicContact CD2-CD 3.83Å; L201-K205 HydrophobicContact CG-CD 4.43Å; L201-K205 WeakPolarHBondContact O-CB 3.45Å; L201-K205 WeakPolarHBondContact O-CG 3.37Å; L201-K205 PolarHBondContact O-N 3.45Å; S202-K205 PolarHBondContact O-N 2.71Å; K205-V207 VanDerWaalsContact C-N 3.32Å; K205-V211 VanDerWaalsContact CE-O 3.25Å; K205-V211 WeakPolarHBondContact CE-O 3.49Å; K205-V211 HydrophobicContact CG-CB 3.85Å; K205-V211 HydrophobicContact CG-CG1 4.31Å; K205-V211 HydrophobicContact CG-CG2 4.39Å
206R89.3Confident90.7Very high170 Ų17056.9 Ų56.964%0.64229%0.288SS*.Hα-helixtrans-70.6-25.9175.9-167.8-175.666.474.2-3.7113.2S202 E203 M204S202-R206 WeakPolarHBondContact O-CB 3.24Å; S202-R206 PolarHBondContact O-N 2.68Å; E203-R206 WeakPolarHBondContact O-CB 3.29Å; E203-R206 PolarHBondContact O-N 3.38Å; E203-R206 IonicContact OE1-CZ 2.64Å; E203-R206 IonicContact OE1-NH2 2.83Å; E203-R206 PolarHBondContact OE1-NH2 2.8Å; E203-R206 IonicContact OE2-CZ 3.16Å; E203-R206 VanDerWaalsContact OE2-CZ 3.25Å; E203-R206 IonicContact OE2-NE 2.62Å; E203-R206 PolarHBondContact OE2-NE 3.01Å; E203-R206 IonicContact OE2-NH2 3.83Å; E203-R206 PolarHBondContact OE2-NH2 2.81Å; M204-R206 VanDerWaalsContact C-N 3.32Å
207V87.6Confident90.6Very high23 Ų2357.4 Ų57.414%0.13928%0.283CS..Hα-helixtrans-109.5-29.1-175.4178.80000112.9E203 M204 K205 L247 I252 L254E203-V207 WeakPolarHBondContact O-CG2 3.32Å; E203-V207 PolarHBondContact O-N 2.87Å; M204-V207 PolarHBondContact O-N 2.82Å; K205-V207 VanDerWaalsContact C-N 3.32Å; V207-L247 HydrophobicContact CG1-CD2 3.72Å; V207-I252 HydrophobicContact CG1-CD1 3.58Å; V207-I252 HydrophobicContact CG1-CG2 4.47Å; V207-L254 HydrophobicContact CG2-CD2 3.99Å
208T89.6Confident90.4Very high1 Ų155.5 Ų55.51%0.00628%0.283CS..SBendtrans-135138.2-176.7610000113.4M204 Y234 A243 K246 L247M204-T208 HydrophobicContact CE-CG2 4.42Å; M204-T208 WeakPolarHBondContact O-CA 3.35Å; M204-T208 PolarHBondContact O-N 3.43Å; M204-T208 VanDerWaalsContact O-O 3.09Å; M204-T208 PolarHBondContact O-OG1 2.87Å; T208-Y234 PolarHBondContact OG1-OH 2.81Å; T208-A243 HydrophobicContact CG2-CB 3.76Å; T208-K246 HydrophobicContact CG2-CB 4.35Å; T208-K246 HydrophobicContact CG2-CD 4.24Å; T208-L247 HydrophobicContact CG2-CD1 3.74Å; T208-L247 HydrophobicContact CG2-CD2 4.05Å; T208-L247 HydrophobicContact CG2-CG 3.8Å
209D89.3Confident90.1Very high109 Ų10950.8 Ų50.858%0.58326%0.263SS*.THydrogen-bonded Turntrans-87.2146.6-171.7-30.1-88.7000110.7K246D209-K246 IonicContact OD1-NZ 3.01Å; D209-K246 IonicContact OD2-NZ 3.2Å; D209-K246 PolarHBondContact OD2-NZ 2.83Å
210G89.8Confident89.6Confident48 Ų4848.6 Ų48.650%0.49525%0.254SS..THydrogen-bonded Turntrans75.222.3174.500000116K212 Y234 G235G210-K212 PolarHBondContact O-N 2.82Å; G210-Y234 CarbonylContact O-C 3.44Å; G210-Y234 VanDerWaalsContact O-CA 3.31Å; G210-Y234 WeakPolarHBondContact O-CA 3.26Å; G210-G235 PolarHBondContact O-N 3.47Å
211V92.9Very high89.1Confident12 Ų1254.3 Ų54.37%0.07329%0.289CS..EExtended strand (participates in β ladder)trans-66.7123.5170.3177.10000110.4M204 K205 V214 I232 Y234M204-V211 HydrophobicContact CB-CG2 4.4Å; K205-V211 VanDerWaalsContact CE-O 3.25Å; K205-V211 WeakPolarHBondContact CE-O 3.49Å; K205-V211 HydrophobicContact CG-CB 3.85Å; K205-V211 HydrophobicContact CG-CG1 4.31Å; K205-V211 HydrophobicContact CG-CG2 4.39Å; V211-V214 HydrophobicContact CG1-CG2 4.09Å; V211-I232 HydrophobicContact CG1-CG2 3.8Å; V211-I232 HydrophobicContact CG2-CG2 4.16Å; V211-Y234 HydrophobicContact CB-CE1 4.43Å; V211-Y234 HydrophobicContact CG2-CD1 4.11Å; V211-Y234 HydrophobicContact CG2-CE1 3.43Å; V211-Y234 VanDerWaalsContact CG2-CE1 3.43Å
212K91.6Very high88.5Confident122 Ų12254.5 Ų54.553%0.5329%0.291SS..EExtended strand (participates in β ladder)trans-93.9-54.8179.5179.4-179.1163.5-132.90112G210 E233G210-K212 PolarHBondContact O-N 2.82Å; K212-E233 WeakPolarHBondContact CB-O 3.23Å; K212-E233 WeakPolarHBondContact CD-OE1 3.49Å; K212-E233 PolarHBondContact N-O 3.17Å; K212-E233 IonicContact NZ-OE1 3.33Å; K212-E233 PolarHBondContact NZ-OE1 3.36Å; K212-E233 IonicContact NZ-OE2 2.75Å; K212-E233 PolarHBondContact NZ-OE2 3.29Å
213D91.9Very high88Confident46 Ų4654 Ų5425%0.24628%0.279CS..EExtended strand (participates in β ladder)trans-144.6159177.3-177.131.5000111.3R197 I215 E233R197-D213 IonicContact CZ-OD1 3.46Å; R197-D213 IonicContact NE-OD1 2.69Å; R197-D213 IonicContact NH2-OD1 2.64Å; R197-D213 PolarHBondContact NH2-OD1 2.95Å; R197-D213 IonicContact NH2-OD2 3.08Å; R197-D213 PolarHBondContact NH2-OD2 2.81Å; D213-I215 VanDerWaalsContact OD2-CG1 3.23Å; D213-I215 WeakPolarHBondContact OD2-CG1 3.23Å; D213-E233 PolarHBondContact N-O 3Å; D213-E233 PolarHBondContact O-N 3.31Å
214V92.7Very high87.7Confident0 Ų058.2 Ų58.20%031%0.307CS..EExtended strand (participates in β ladder)trans-126.7111.6174.6173.40000109R197 I200 L201 V211 A230 F231 I232R197-V214 WeakPolarHBondContact CG-O 3.44Å; R197-V214 PolarHBondContact NE-O 3.24Å; R197-V214 PolarHBondContact NH2-O 2.82Å; R197-V214 VanDerWaalsContact NH2-O 3.16Å; I200-V214 HydrophobicContact CB-CG1 4.04Å; I200-V214 HydrophobicContact CG2-CG1 3.58Å; L201-V214 HydrophobicContact CB-CB 4.18Å; L201-V214 HydrophobicContact CB-CG2 3.86Å; L201-V214 HydrophobicContact CD1-CG2 4.36Å; L201-V214 HydrophobicContact CG-CG2 4.23Å; V211-V214 HydrophobicContact CG1-CG2 4.09Å; V214-A230 HydrophobicContact CG1-CB 4.03Å; V214-F231 CarbonylContact C-O 3.56Å; V214-F231 WeakPolarHBondContact CA-O 3.36Å; V214-I232 HydrophobicContact CG2-CG1 4.25Å; V214-I232 HydrophobicContact CG2-CG2 4.18Å
215I90.9Very high87.5Confident34 Ų3462.4 Ų62.417%0.17433%0.325CS..EExtended strand (participates in β ladder)trans-98.6103.4-179.9-64.2166.7000108.7R185 D213 Y217 A230 F231R185-I215 VanDerWaalsContact NH2-CD1 3.35Å; D213-I215 VanDerWaalsContact OD2-CG1 3.23Å; D213-I215 WeakPolarHBondContact OD2-CG1 3.23Å; I215-Y217 HydrophobicContact CG2-CE2 4.02Å; I215-A230 WeakPolarHBondContact O-CA 3.3Å; I215-F231 HydrophobicContact CB-CB 4.39Å; I215-F231 PolarHBondContact N-O 3.09Å; I215-F231 PolarHBondContact O-N 3.21Å
216S90Very high87.3Confident20 Ų2057.6 Ų57.614%0.1431%0.305CS..EExtended strand (participates in β ladder)trans-108.2145172.3-166.90000110.7F229S216-F229 PolarHBondContact OG-O 2.97Å
217Y87.3Confident87.3Confident76 Ų7654.6 Ų54.630%0.29829%0.293SS..EExtended strand (participates in β ladder)trans-106.9137.5179-67.5-81.1000110.9I215 R227 F229 F231I215-Y217 HydrophobicContact CG2-CE2 4.02Å; Y217-R227 WeakPolarHBondContact O-CB 3.29Å; Y217-R227 PolarHBondContact O-N 3.27Å; Y217-F229 HydrophobicContact CD2-CE2 4.14Å; Y217-F231 HydrophobicContact CD2-CE2 4.48Å; Y217-F231 AromaticContact CE2-CD2 3.93Å; Y217-F231 HydrophobicContact CE2-CD2 3.93Å; Y217-F231 AromaticContact CE2-CE2 3.91Å; Y217-F231 HydrophobicContact CE2-CE2 3.91Å
218P86.1Confident87.4Confident53 Ų5354.2 Ų54.234%0.34430%0.295SS..EExtended strand (participates in β ladder)trans-58.4155.9169.4-23.433.9000112.7K223 K225P218-K223 HydrophobicContact CB-CB 4.39Å; P218-K225 CarbonylContact C-O 3.47Å; P218-K225 WeakPolarHBondContact CA-O 3.37Å
219S84.8Confident87.6Confident15 Ų1556.4 Ų56.411%0.10530%0.304CS..EExtended strand (participates in β ladder)trans-77.4133.4172.8-172.90000110.6T221 D222 K225S219-T221 PolarHBondContact O-N 3.17Å; S219-T221 VanDerWaalsContact O-N 3.14Å; S219-T221 PolarHBondContact OG-OG1 3.43Å; S219-T221 VanDerWaalsContact OG-OG1 3.13Å; S219-D222 WeakPolarHBondContact CB-O 3.5Å; S219-D222 CarbonylContact O-C 3.6Å; S219-D222 VanDerWaalsContact O-C 3.23Å; S219-D222 PolarHBondContact O-N 2.95Å; S219-K225 PolarHBondContact N-O 2.92Å
220V81.3Confident87.8Confident31 Ų3151.2 Ų51.219%0.18828%0.276CS..THydrogen-bonded Turntrans-52.7-36.3177.9-174.90000112.4L288 S317 D318V220-L288 HydrophobicContact CG1-CD1 4.17Å; V220-L288 HydrophobicContact CG1-CD2 3.69Å; V220-L288 HydrophobicContact CG1-CG 4.02Å; V220-S317 WeakPolarHBondContact CG1-OG 3.34Å; V220-D318 HydrophobicContact CG1-CB 4.2Å; V220-D318 HydrophobicContact CG2-CB 4.43Å
221T80.5Confident88Confident120 Ų12051.1 Ų51.174%0.73626%0.262SS*.THydrogen-bonded Turntrans-81.9-22.8-177.960.20000113.9S219S219-T221 PolarHBondContact O-N 3.17Å; S219-T221 VanDerWaalsContact O-N 3.14Å; S219-T221 PolarHBondContact OG-OG1 3.43Å; S219-T221 VanDerWaalsContact OG-OG1 3.13Å
222D81.5Confident88Confident48 Ų4850.5 Ų50.526%0.25726%0.259SS..EExtended strand (participates in β ladder)trans-165.2101.7-166.6-179.6-9000109.7S219 T224 K225S219-D222 WeakPolarHBondContact CB-O 3.5Å; S219-D222 CarbonylContact O-C 3.6Å; S219-D222 VanDerWaalsContact O-C 3.23Å; S219-D222 PolarHBondContact O-N 2.95Å; D222-T224 PolarHBondContact O-N 2.99Å; D222-T224 WeakPolarHBondContact OD1-CB 3.14Å; D222-T224 PolarHBondContact OD1-N 3.48Å; D222-T224 PolarHBondContact OD1-OG1 2.95Å; D222-T224 PolarHBondContact OD2-OG1 3.3Å; D222-K225 PolarHBondContact O-N 2.82Å; D222-K225 VanDerWaalsContact O-N 3.1Å; D222-K225 WeakPolarHBondContact OD2-CD 3.47Å; D222-K225 WeakPolarHBondContact OD2-CE 3.28Å; D222-K225 IonicContact OD2-NZ 2.67Å; D222-K225 PolarHBondContact OD2-NZ 2.87Å
223K80.8Confident88.1Confident66 Ų6646.6 Ų46.629%0.28724%0.242SC..EExtended strand (participates in β ladder)trans-74.1-7-173.6-59.9-170.9175.4-165.50114.1P218 N285 L286 S345P218-K223 HydrophobicContact CB-CB 4.39Å; K223-N285 WeakPolarHBondContact CD-OD1 3.31Å; K223-N285 VanDerWaalsContact CE-OD1 3.28Å; K223-N285 WeakPolarHBondContact CE-OD1 3.22Å; K223-N285 PolarHBondContact NZ-O 3.46Å; K223-N285 PolarHBondContact NZ-OD1 3.26Å; K223-L286 WeakPolarHBondContact CE-O 3.41Å; K223-L286 VanDerWaalsContact NZ-C 3.25Å; K223-L286 PolarHBondContact NZ-O 3.22Å; K223-S345 WeakPolarHBondContact CD-OG 3.4Å; K223-S345 WeakPolarHBondContact CE-OG 3.48Å; K223-S345 VanDerWaalsContact NZ-CB 3.28Å; K223-S345 PolarHBondContact NZ-OG 2.92Å
224T81.5Confident88.2Confident118 Ų11844.4 Ų44.472%0.72423%0.23SC*.EExtended strand (participates in β ladder)trans-76.5-14.2170.371.70000112.5D222D222-T224 PolarHBondContact O-N 2.99Å; D222-T224 WeakPolarHBondContact OD1-CB 3.14Å; D222-T224 PolarHBondContact OD1-N 3.48Å; D222-T224 PolarHBondContact OD1-OG1 2.95Å; D222-T224 PolarHBondContact OD2-OG1 3.3Å
225K85.8Confident88Confident88 Ų8846.6 Ų46.638%0.38325%0.253SS..EExtended strand (participates in β ladder)trans-114.1148.2-176.1-68.2180-178.2640110.9K193 P218 S219 D222K193-K225 HydrophobicContact CB-CB 4.35Å; K193-K225 CarbonylContact O-C 3.59Å; K193-K225 WeakPolarHBondContact O-CA 3.15Å; K193-K225 VanDerWaalsContact O-CB 3.28Å; K193-K225 WeakPolarHBondContact O-CB 3.06Å; P218-K225 CarbonylContact C-O 3.47Å; P218-K225 WeakPolarHBondContact CA-O 3.37Å; S219-K225 PolarHBondContact N-O 2.92Å; D222-K225 PolarHBondContact O-N 2.82Å; D222-K225 VanDerWaalsContact O-N 3.1Å; D222-K225 WeakPolarHBondContact OD2-CD 3.47Å; D222-K225 WeakPolarHBondContact OD2-CE 3.28Å; D222-K225 IonicContact OD2-NZ 2.67Å; D222-K225 PolarHBondContact OD2-NZ 2.87Å
226N88.9Confident87.8Confident9 Ų947.4 Ų47.45%0.04826%0.262CS..EExtended strand (participates in β ladder)trans-77.7163.6169.774.254.7000111.3P192 K193 K195 G228P192-N226 PolarHBondContact O-ND2 3.11Å; K193-N226 PolarHBondContact O-N 3.24Å; K195-N226 PolarHBondContact O-ND2 3.43Å; N226-G228 PolarHBondContact O-N 2.96Å; N226-G228 WeakPolarHBondContact OD1-CA 3.15Å; N226-G228 PolarHBondContact OD1-N 3.24Å
227R89.3Confident87.6Confident107 Ų10750.2 Ų50.240%0.40427%0.273SS..EExtended strand (participates in β ladder)trans-773.7-177.6-156.2168.1175.7142.8-1.4114.7Y217 F229 D318Y217-R227 WeakPolarHBondContact O-CB 3.29Å; Y217-R227 PolarHBondContact O-N 3.27Å; R227-F229 HydrophobicContact CB-CD1 4.26Å; R227-F229 HydrophobicContact CB-CE1 3.88Å; R227-F229 HydrophobicContact CB-CZ 4.34Å; R227-F229 HydrophobicContact CG-CD1 4.37Å; R227-F229 HydrophobicContact CG-CE1 3.67Å; R227-F229 HydrophobicContact CG-CZ 4.25Å; R227-D318 IonicContact NH1-OD2 3.02Å; R227-D318 PolarHBondContact NH1-OD2 3.13Å
228G89.7Confident87.5Confident16 Ų1654.5 Ų54.517%0.16529%0.293CS..EExtended strand (participates in β ladder)trans90.65.2-178.400000115.1G190 I191 N226G190-G228 PolarHBondContact N-O 3.15Å; G190-G228 VanDerWaalsContact N-O 3.08Å; I191-G228 PolarHBondContact N-O 2.83Å; I191-G228 VanDerWaalsContact N-O 3.14Å; N226-G228 PolarHBondContact O-N 2.96Å; N226-G228 WeakPolarHBondContact OD1-CA 3.15Å; N226-G228 PolarHBondContact OD1-N 3.24Å
229F92.5Very high87.8Confident47 Ų4752.9 Ų52.921%0.20628%0.284CS..EExtended strand (participates in β ladder)trans-149.7163.617865.1-95.1000111.8F187 V188 S216 Y217 R227 F231F187-F229 HydrophobicContact CD2-CD2 4.27Å; F187-F229 HydrophobicContact CE2-CB 3.64Å; F187-F229 HydrophobicContact CE2-CD1 4.38Å; F187-F229 AromaticContact CE2-CD2 3.61Å; F187-F229 HydrophobicContact CE2-CD2 3.61Å; F187-F229 HydrophobicContact CE2-CE2 4.34Å; F187-F229 AromaticContact CE2-CG 3.64Å; F187-F229 HydrophobicContact CE2-CG 3.64Å; F187-F229 HydrophobicContact CZ-CB 3.74Å; F187-F229 HydrophobicContact CZ-CD2 4.49Å; F187-F229 HydrophobicContact CZ-CG 4.08Å; V188-F229 CarbonylContact O-C 3.57Å; V188-F229 WeakPolarHBondContact O-CA 3.42Å; V188-F229 WeakPolarHBondContact O-CB 3.37Å; S216-F229 PolarHBondContact OG-O 2.97Å; Y217-F229 HydrophobicContact CD2-CE2 4.14Å; R227-F229 HydrophobicContact CB-CD1 4.26Å; R227-F229 HydrophobicContact CB-CE1 3.88Å; R227-F229 HydrophobicContact CB-CZ 4.34Å; R227-F229 HydrophobicContact CG-CD1 4.37Å; R227-F229 HydrophobicContact CG-CE1 3.67Å; R227-F229 HydrophobicContact CG-CZ 4.25Å; F229-F231 HydrophobicContact CD2-CE2 4.28Å; F229-F231 AromaticContact CE2-CE2 3.89Å; F229-F231 HydrophobicContact CE2-CE2 3.89Å; F229-F231 HydrophobicContact CE2-CZ 4.49Å
230A93.3Very high88.1Confident0 Ų052.1 Ų52.10%028%0.279CS..EExtended strand (participates in β ladder)trans-144158.6170.100000110.7V188 I191 I200 V214 I215V188-A230 PolarHBondContact N-O 3Å; V188-A230 PolarHBondContact O-N 3.11Å; I191-A230 HydrophobicContact CD1-CB 3.63Å; I200-A230 HydrophobicContact CD1-CB 4.45Å; I200-A230 HydrophobicContact CG2-CB 4.45Å; V214-A230 HydrophobicContact CG1-CB 4.03Å; I215-A230 WeakPolarHBondContact O-CA 3.3Å
231F94Very high88.5Confident45 Ų4551.6 Ų51.620%0.19728%0.277CS..EExtended strand (participates in β ladder)trans-101.8140.7167.2-64.6-82.2000109.7R185 L186 F187 V214 I215 Y217 F229 A264R185-F231 HydrophobicContact CG-CB 4.23Å; L186-F231 CarbonylContact O-C 3.49Å; L186-F231 VanDerWaalsContact O-CA 3.26Å; L186-F231 WeakPolarHBondContact O-CA 3.25Å; F187-F231 HydrophobicContact CB-CD1 4.26Å; F187-F231 HydrophobicContact CB-CE1 4.13Å; F187-F231 HydrophobicContact CD2-CD1 4.33Å; F187-F231 AromaticContact CD2-CE1 3.77Å; F187-F231 HydrophobicContact CD2-CE1 3.77Å; F187-F231 HydrophobicContact CD2-CZ 4.01Å; F187-F231 HydrophobicContact CG-CE1 4.45Å; V214-F231 CarbonylContact C-O 3.56Å; V214-F231 WeakPolarHBondContact CA-O 3.36Å; I215-F231 HydrophobicContact CB-CB 4.39Å; I215-F231 PolarHBondContact N-O 3.09Å; I215-F231 PolarHBondContact O-N 3.21Å; Y217-F231 HydrophobicContact CD2-CE2 4.48Å; Y217-F231 AromaticContact CE2-CD2 3.93Å; Y217-F231 HydrophobicContact CE2-CD2 3.93Å; Y217-F231 AromaticContact CE2-CE2 3.91Å; Y217-F231 HydrophobicContact CE2-CE2 3.91Å; F229-F231 HydrophobicContact CD2-CE2 4.28Å; F229-F231 AromaticContact CE2-CE2 3.89Å; F229-F231 HydrophobicContact CE2-CE2 3.89Å; F229-F231 HydrophobicContact CE2-CZ 4.49Å; F231-A264 HydrophobicContact CD1-CB 3.73Å; F231-A264 HydrophobicContact CE1-CB 3.93Å
232I94Very high89Confident0 Ų049.9 Ų49.90%026%0.262CS..EExtended strand (participates in β ladder)trans-124.8116.3-175.7-52.3-174.9000108.7R185 L186 V188 M204 V211 V214 Y234R185-I232 CarbonylContact C-O 3.57Å; R185-I232 VanDerWaalsContact CA-O 3.29Å; R185-I232 WeakPolarHBondContact CA-O 3.49Å; L186-I232 PolarHBondContact N-O 3.06Å; L186-I232 PolarHBondContact O-N 3.07Å; V188-I232 HydrophobicContact CB-CD1 4.27Å; V188-I232 HydrophobicContact CG2-CD1 3.52Å; V188-I232 HydrophobicContact CG2-CG1 4.1Å; M204-I232 HydrophobicContact CB-CD1 4.22Å; M204-I232 HydrophobicContact CE-CD1 3.33Å; M204-I232 HydrophobicContact CG-CD1 3.52Å; M204-I232 HydrophobicContact SD-CD1 3.58Å; M204-I232 VanDerWaalsContact SD-CD1 3.58Å; V211-I232 HydrophobicContact CG1-CG2 3.8Å; V211-I232 HydrophobicContact CG2-CG2 4.16Å; V214-I232 HydrophobicContact CG2-CG1 4.25Å; V214-I232 HydrophobicContact CG2-CG2 4.18Å; I232-Y234 HydrophobicContact CB-CE2 3.94Å; I232-Y234 HydrophobicContact CG2-CD2 4.12Å; I232-Y234 HydrophobicContact CG2-CE2 3.44Å; I232-Y234 VanDerWaalsContact CG2-CE2 3.44Å
233E93.1Very high89.5Confident39 Ų3947.7 Ų47.718%0.18225%0.251CS..EExtended strand (participates in β ladder)trans-88.3132.9173.7-158.6-159.915400109.9R102 K212 D213R102-E233 IonicContact CZ-OE1 3.44Å; R102-E233 IonicContact NH1-OE1 3.68Å; R102-E233 PolarHBondContact NH1-OE1 2.81Å; R102-E233 IonicContact NH2-OE1 3.42Å; K212-E233 WeakPolarHBondContact CB-O 3.23Å; K212-E233 WeakPolarHBondContact CD-OE1 3.49Å; K212-E233 PolarHBondContact N-O 3.17Å; K212-E233 IonicContact NZ-OE1 3.33Å; K212-E233 PolarHBondContact NZ-OE1 3.36Å; K212-E233 IonicContact NZ-OE2 2.75Å; K212-E233 PolarHBondContact NZ-OE2 3.29Å; D213-E233 PolarHBondContact N-O 3Å; D213-E233 PolarHBondContact O-N 3.31Å
234Y93.4Very high90Very high0 Ų048.1 Ų48.10%025%0.251CS..EExtended strand (participates in β ladder)trans-107158.9174.5-70.2-95.5000111.7R102 C184 L186 M204 T208 G210 V211 I232 S236 A239 A240 A243R102-Y234 PolarHBondContact NH2-O 3.18Å; C184-Y234 PolarHBondContact O-N 2.87Å; L186-Y234 HydrophobicContact CB-CE2 4.32Å; L186-Y234 HydrophobicContact CD1-CD2 4.46Å; L186-Y234 HydrophobicContact CD1-CE2 3.66Å; L186-Y234 HydrophobicContact CG-CD2 4.3Å; L186-Y234 HydrophobicContact CG-CE2 3.84Å; M204-Y234 WeakPolarHBondContact CE-OH 3.3Å; T208-Y234 PolarHBondContact OG1-OH 2.81Å; G210-Y234 CarbonylContact O-C 3.44Å; G210-Y234 VanDerWaalsContact O-CA 3.31Å; G210-Y234 WeakPolarHBondContact O-CA 3.26Å; V211-Y234 HydrophobicContact CB-CE1 4.43Å; V211-Y234 HydrophobicContact CG2-CD1 4.11Å; V211-Y234 HydrophobicContact CG2-CE1 3.43Å; V211-Y234 VanDerWaalsContact CG2-CE1 3.43Å; I232-Y234 HydrophobicContact CB-CE2 3.94Å; I232-Y234 HydrophobicContact CG2-CD2 4.12Å; I232-Y234 HydrophobicContact CG2-CE2 3.44Å; I232-Y234 VanDerWaalsContact CG2-CE2 3.44Å; Y234-S236 PolarHBondContact O-N 3.12Å; Y234-A239 HydrophobicContact CD1-CB 4.11Å; Y234-A239 HydrophobicContact CG-CB 4.47Å; Y234-A240 HydrophobicContact CD2-CB 3.82Å; Y234-A240 HydrophobicContact CG-CB 4.04Å; Y234-A243 HydrophobicContact CD1-CB 4.31Å; Y234-A243 HydrophobicContact CE1-CB 3.51Å; Y234-A243 HydrophobicContact CE2-CB 4.05Å; Y234-A243 WeakPolarHBondContact OH-CB 3.35Å
235G89.2Confident90.3Very high47 Ų4749.8 Ų49.849%0.48524%0.244SC..SBendtrans-62.4-25.1175.800000114.2R102 G210R102-G235 PolarHBondContact NH2-O 2.91Å; G210-G235 PolarHBondContact O-N 3.47Å
236S86.7Confident90.3Very high50 Ų5049.4 Ų49.435%0.3524%0.242SC..SBendtrans-152.4160.3175.363.40000112.8C184 Y234 K238 A239 A240C184-S236 VanDerWaalsContact SG-C 3.56Å; Y234-S236 PolarHBondContact O-N 3.12Å; S236-K238 PolarHBondContact O-N 2.84Å; S236-A239 WeakPolarHBondContact O-CB 3.23Å; S236-A239 PolarHBondContact O-N 3.18Å; S236-A239 VanDerWaalsContact O-N 3.12Å; S236-A239 PolarHBondContact OG-N 2.93Å; S236-A239 VanDerWaalsContact OG-N 3.14Å; S236-A240 PolarHBondContact O-N 2.91Å
237H86.2Confident90.2Very high79 Ų7949 Ų4937%0.36624%0.24SC..Hα-helixtrans-59.2-35.7171.2179.668.7000111.7N183 C184 A239 A240 A241 W263N183-H237 PolarHBondContact O-ND1 3.38Å; C184-H237 PolarHBondContact SG-N 2.87Å; H237-A239 PolarHBondContact O-N 3.25Å; H237-A240 PolarHBondContact O-N 3.28Å; H237-A241 VanDerWaalsContact O-CB 3.26Å; H237-A241 WeakPolarHBondContact O-CB 3.31Å; H237-A241 PolarHBondContact O-N 3.37Å; H237-W263 AromaticContact CE1-CH2 3.28Å; H237-W263 WeakPolarHBondContact CE1-CH2 3.26Å; H237-W263 AromaticContact CE1-CZ2 3.68Å; H237-W263 AromaticContact CE1-CZ3 3.88Å; H237-W263 AromaticContact ND1-CH2 3.61Å; H237-W263 AromaticContact ND1-CZ3 3.87Å
238K85.8Confident89.7Confident166 Ų16647.6 Ų47.672%0.72224%0.24SC*.Hα-helixtrans-58.8-44.6173.3-176.6177.5177.9-179.90111.6S236 A241 M242S236-K238 PolarHBondContact O-N 2.84Å; K238-A241 PolarHBondContact O-N 3.01Å; K238-M242 VanDerWaalsContact O-CG 3.29Å; K238-M242 WeakPolarHBondContact O-CG 3.42Å; K238-M242 PolarHBondContact O-N 2.82Å
239A90.7Very high88.5Confident19 Ų1951 Ų5116%0.15726%0.259CS..Hα-helixtrans-65-46.6176.600000111.6Y234 S236 H237 A241 M242 A243Y234-A239 HydrophobicContact CD1-CB 4.11Å; Y234-A239 HydrophobicContact CG-CB 4.47Å; S236-A239 WeakPolarHBondContact O-CB 3.23Å; S236-A239 PolarHBondContact O-N 3.18Å; S236-A239 VanDerWaalsContact O-N 3.12Å; S236-A239 PolarHBondContact OG-N 2.93Å; S236-A239 VanDerWaalsContact OG-N 3.14Å; H237-A239 PolarHBondContact O-N 3.25Å; A239-A241 VanDerWaalsContact C-N 3.35Å; A239-A241 PolarHBondContact O-N 3.03Å; A239-M242 PolarHBondContact O-N 2.66Å; A239-A243 WeakPolarHBondContact O-CB 3.37Å; A239-A243 PolarHBondContact O-N 2.84Å
240A92.2Very high87.1Confident0 Ų051.6 Ų51.60%028%0.279CS..Hα-helixtrans-60.4-41.1175.400000112.6L186 Y234 S236 H237 M242 A243 R244 W263L186-A240 HydrophobicContact CD2-CB 4.32Å; L186-A240 HydrophobicContact CG-CB 4.35Å; Y234-A240 HydrophobicContact CD2-CB 3.82Å; Y234-A240 HydrophobicContact CG-CB 4.04Å; S236-A240 PolarHBondContact O-N 2.91Å; H237-A240 PolarHBondContact O-N 3.28Å; A240-M242 PolarHBondContact O-N 3.42Å; A240-A243 PolarHBondContact O-N 3Å; A240-R244 WeakPolarHBondContact O-CB 3.48Å; A240-R244 PolarHBondContact O-N 2.79Å; A240-W263 HydrophobicContact CB-CH2 4.07Å; A240-W263 HydrophobicContact CB-CZ3 3.65Å
241A90.2Very high85.7Confident19 Ų1959.5 Ų59.516%0.15732%0.315CS..Hα-helixtrans-68.8-31.1177.700000113H237 K238 A239 R245 W263H237-A241 VanDerWaalsContact O-CB 3.26Å; H237-A241 WeakPolarHBondContact O-CB 3.31Å; H237-A241 PolarHBondContact O-N 3.37Å; K238-A241 PolarHBondContact O-N 3.01Å; A239-A241 VanDerWaalsContact C-N 3.35Å; A239-A241 PolarHBondContact O-N 3.03Å; A241-R245 PolarHBondContact O-NE 3.31Å; A241-R245 PolarHBondContact O-NH2 3.35Å; A241-W263 HydrophobicContact CB-CH2 3.85Å; A241-W263 HydrophobicContact CB-CZ2 4.09Å
242M89.5Confident84.6Confident84 Ų8459.8 Ų59.841%0.41432%0.318SS..Hα-helixtrans-72.6-43.2170.5-72.3-65.4-65.300111K238 A239 A240 R245 K246K238-M242 VanDerWaalsContact O-CG 3.29Å; K238-M242 WeakPolarHBondContact O-CG 3.42Å; K238-M242 PolarHBondContact O-N 2.82Å; A239-M242 PolarHBondContact O-N 2.66Å; A240-M242 PolarHBondContact O-N 3.42Å; M242-R245 PolarHBondContact O-N 3.08Å; M242-R245 VanDerWaalsContact SD-CZ 3.57Å; M242-R245 PolarHBondContact SD-NH2 2.93Å; M242-K246 PolarHBondContact O-N 3.34Å
243A92.1Very high83.6Confident3 Ų364.8 Ų64.83%0.02534%0.341CS..Hα-helixtrans-61.9-47.817800000112.4L186 T208 Y234 A239 A240 R245 K246 L247L186-A243 HydrophobicContact CD1-CB 3.85Å; T208-A243 HydrophobicContact CG2-CB 3.76Å; Y234-A243 HydrophobicContact CD1-CB 4.31Å; Y234-A243 HydrophobicContact CE1-CB 3.51Å; Y234-A243 HydrophobicContact CE2-CB 4.05Å; Y234-A243 WeakPolarHBondContact OH-CB 3.35Å; A239-A243 WeakPolarHBondContact O-CB 3.37Å; A239-A243 PolarHBondContact O-N 2.84Å; A240-A243 PolarHBondContact O-N 3Å; A243-R245 VanDerWaalsContact C-N 3.25Å; A243-R245 PolarHBondContact O-N 2.74Å; A243-K246 PolarHBondContact O-N 3.46Å; A243-K246 VanDerWaalsContact O-N 3.12Å; A243-L247 WeakPolarHBondContact O-CB 3.4Å; A243-L247 WeakPolarHBondContact O-CD1 3.36Å; A243-L247 VanDerWaalsContact O-CG 3.23Å; A243-L247 WeakPolarHBondContact O-CG 3.39Å; A243-L247 PolarHBondContact O-N 3.02Å
244R91Very high82.8Confident75 Ų7563 Ų6328%0.28333%0.333SS..Hα-helixtrans-55.3-41.5174.2-172.5172.3178.5-93.27.9111.2L186 A240 L247 L248 V261 D262L186-R244 HydrophobicContact CD1-CB 4.07Å; L186-R244 HydrophobicContact CD2-CB 3.99Å; L186-R244 HydrophobicContact CD2-CG 4.48Å; A240-R244 WeakPolarHBondContact O-CB 3.48Å; A240-R244 PolarHBondContact O-N 2.79Å; R244-L247 PolarHBondContact O-N 2.67Å; R244-L248 HydrophobicContact CG-CD1 4.2Å; R244-L248 WeakPolarHBondContact O-CD1 3.47Å; R244-L248 PolarHBondContact O-N 2.91Å; R244-V261 HydrophobicContact CG-CG1 4.39Å; R244-D262 IonicContact CZ-OD1 2.93Å; R244-D262 VanDerWaalsContact CZ-OD1 3.25Å; R244-D262 IonicContact NE-OD1 3.8Å; R244-D262 PolarHBondContact NE-OD1 3.29Å; R244-D262 IonicContact NH2-OD1 3.79Å; R244-D262 PolarHBondContact NH2-OD1 2.84Å
245R88.2Confident82.2Confident152 Ų15265.9 Ų65.957%0.57434%0.344SS*.Hα-helixtrans-69.6-38.3175.8-80177.7-73.8150.8-4.3113.8A241 M242 A243 L247A241-R245 PolarHBondContact O-NE 3.31Å; A241-R245 PolarHBondContact O-NH2 3.35Å; M242-R245 PolarHBondContact O-N 3.08Å; M242-R245 VanDerWaalsContact SD-CZ 3.57Å; M242-R245 PolarHBondContact SD-NH2 2.93Å; A243-R245 VanDerWaalsContact C-N 3.25Å; A243-R245 PolarHBondContact O-N 2.74Å; R245-L247 VanDerWaalsContact C-N 3.33Å
246K87.4Confident81.6Confident81 Ų8166.9 Ų66.935%0.35235%0.354SS..Hα-helixtrans-63.6-37.3172.9-78.8-176.5167.3-172.60112.2T208 D209 M242 A243 I252T208-K246 HydrophobicContact CG2-CB 4.35Å; T208-K246 HydrophobicContact CG2-CD 4.24Å; D209-K246 IonicContact OD1-NZ 3.01Å; D209-K246 IonicContact OD2-NZ 3.2Å; D209-K246 PolarHBondContact OD2-NZ 2.83Å; M242-K246 PolarHBondContact O-N 3.34Å; A243-K246 PolarHBondContact O-N 3.46Å; A243-K246 VanDerWaalsContact O-N 3.12Å; K246-I252 VanDerWaalsContact O-CD1 3.24Å; K246-I252 WeakPolarHBondContact O-CD1 3.44Å
247L85.8Confident81.2Confident1 Ų169.2 Ų69.21%0.00536%0.359CS..THydrogen-bonded Turntrans-9810.5-171.8-59.7166.1000114.1M204 V207 T208 A243 R244 R245 I252 I259 V261M204-L247 HydrophobicContact CE-CD1 3.47Å; M204-L247 VanDerWaalsContact CE-CD1 3.47Å; M204-L247 HydrophobicContact CE-CD2 4.36Å; V207-L247 HydrophobicContact CG1-CD2 3.72Å; T208-L247 HydrophobicContact CG2-CD1 3.74Å; T208-L247 HydrophobicContact CG2-CD2 4.05Å; T208-L247 HydrophobicContact CG2-CG 3.8Å; A243-L247 WeakPolarHBondContact O-CB 3.4Å; A243-L247 WeakPolarHBondContact O-CD1 3.36Å; A243-L247 VanDerWaalsContact O-CG 3.23Å; A243-L247 WeakPolarHBondContact O-CG 3.39Å; A243-L247 PolarHBondContact O-N 3.02Å; R244-L247 PolarHBondContact O-N 2.67Å; R245-L247 VanDerWaalsContact C-N 3.33Å; L247-I252 HydrophobicContact CD2-CD1 4.46Å; L247-I259 HydrophobicContact CB-CD1 4.03Å; L247-I259 HydrophobicContact CD2-CD1 3.81Å; L247-I259 HydrophobicContact CG-CD1 4.42Å; L247-V261 HydrophobicContact CB-CB 4.19Å; L247-V261 HydrophobicContact CB-CG1 4.31Å; L247-V261 HydrophobicContact CB-CG2 3.7Å; L247-V261 HydrophobicContact CD1-CG1 4.35Å; L247-V261 HydrophobicContact CD1-CG2 4.25Å
248L78.4Confident81Confident76 Ų7672.4 Ų72.440%0.39837%0.374SS..  trans-63.1140.7-176.6-133.771.4000110.5R244 G250 H251R244-L248 HydrophobicContact CG-CD1 4.2Å; R244-L248 WeakPolarHBondContact O-CD1 3.47Å; R244-L248 PolarHBondContact O-N 2.91Å; L248-G250 PolarHBondContact O-N 2.87Å; L248-H251 PolarHBondContact O-N 3.14Å
249P65.7Low81.1Confident88 Ų8864.8 Ų64.857%0.57134%0.341SS*.THydrogen-bonded Turntrans-55.4127.2-172.8-29.136.6000113.4
250G63Low81Confident60 Ų6066.4 Ų66.462%0.61936%0.355SS*.THydrogen-bonded Turntrans118.7-27.2178.800000114.7L248L248-G250 PolarHBondContact O-N 2.87Å
251H63.8Low80.9Confident165 Ų16566.9 Ų66.976%0.76436%0.358SS*.SBendtrans-92.8-32.8-177.8-76.3-71.8000114.9L248L248-H251 PolarHBondContact O-N 3.14Å
252I69.8Low81Confident51 Ų5169.8 Ų69.826%0.26237%0.371SS..  trans-134.3133.9-172.6-55-173.6000110.6V207 K246 L247 L254V207-I252 HydrophobicContact CG1-CD1 3.58Å; V207-I252 HydrophobicContact CG1-CG2 4.47Å; K246-I252 VanDerWaalsContact O-CD1 3.24Å; K246-I252 WeakPolarHBondContact O-CD1 3.44Å; L247-I252 HydrophobicContact CD2-CD1 4.46Å; I252-L254 HydrophobicContact CG2-CD2 3.64Å; I252-L254 HydrophobicContact CG2-CG 4.32Å
253H74.3Confident81.1Confident105 Ų10569.3 Ų69.349%0.48636%0.364SS..EExtended strand (participates in β ladder)trans-111.7111.3169.5-65.779.5000108.7H257 Q258H253-H257 CarbonylContact C-O 3.56Å; H253-H257 VanDerWaalsContact CA-O 3.3Å; H253-H257 WeakPolarHBondContact CA-O 3.22Å; H253-Q258 WeakPolarHBondContact NE2-CG 3.13Å
254L76.1Confident81Confident1 Ų169.3 Ų69.31%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-86.1130.5174-58.3-173.2000109.1E203 M204 V207 I252 G256 H257 I259E203-L254 HydrophobicContact CG-CD1 4.26Å; E203-L254 HydrophobicContact CG-CD2 4.02Å; E203-L254 HydrophobicContact CG-CG 4.49Å; M204-L254 HydrophobicContact SD-CD1 3.73Å; V207-L254 HydrophobicContact CG2-CD2 3.99Å; I252-L254 HydrophobicContact CG2-CD2 3.64Å; I252-L254 HydrophobicContact CG2-CG 4.32Å; L254-G256 PolarHBondContact O-N 3.12Å; L254-G256 VanDerWaalsContact O-N 3.09Å; L254-H257 PolarHBondContact N-O 2.84Å; L254-H257 PolarHBondContact O-N 3.11Å; L254-I259 HydrophobicContact CB-CG2 4.06Å; L254-I259 HydrophobicContact CD1-CD1 3.86Å; L254-I259 HydrophobicContact CD1-CG2 4.24Å; L254-I259 HydrophobicContact CG-CD1 3.98Å; L254-I259 HydrophobicContact CG-CG2 4.21Å
255W81.2Confident80.8Confident62 Ų6272 Ų7224%0.23538%0.38CS..THydrogen-bonded Turntrans49.833.9-175.3-45.5-72.3000114I191 P192 K195 I200 E203 H257I191-W255 HydrophobicContact CG1-CZ3 4.38Å; I191-W255 HydrophobicContact CG2-CH2 4.29Å; I191-W255 HydrophobicContact CG2-CZ3 3.92Å; P192-W255 VanDerWaalsContact CD-CE3 3.47Å; P192-W255 HydrophobicContact CG-CB 3.91Å; P192-W255 HydrophobicContact CG-CD2 4.42Å; P192-W255 HydrophobicContact CG-CE3 4.16Å; P192-W255 HydrophobicContact CG-CG 4.38Å; K195-W255 VanDerWaalsContact CE-CD1 3.49Å; K195-W255 HydrophobicContact CG-CD2 4.37Å; I200-W255 HydrophobicContact CB-CH2 4.3Å; I200-W255 HydrophobicContact CG1-CH2 3.96Å; I200-W255 HydrophobicContact CG1-CZ2 4.34Å; I200-W255 HydrophobicContact CG2-CH2 4.28Å; E203-W255 HydrophobicContact CB-CH2 4.21Å; E203-W255 HydrophobicContact CB-CZ2 3.5Å; E203-W255 VanDerWaalsContact CB-CZ2 3.5Å; E203-W255 HydrophobicContact CG-CH2 4.17Å; E203-W255 HydrophobicContact CG-CZ2 3.63Å; W255-H257 PolarHBondContact O-N 2.97Å; W255-H257 PolarHBondContact O-ND1 2.91Å
256G76.5Confident80.4Confident67 Ų6768.1 Ų68.169%0.69138%0.375SS*.THydrogen-bonded Turntrans71.93.4-177.300000115.5L254L254-G256 PolarHBondContact O-N 3.12Å; L254-G256 VanDerWaalsContact O-N 3.09Å
257H78.1Confident79.9Confident99 Ų9969.8 Ų69.846%0.45838%0.384SS..EExtended strand (participates in β ladder)trans-102.4149.6178.8-68.863.2000110.7H253 L254 W255H253-H257 CarbonylContact C-O 3.56Å; H253-H257 VanDerWaalsContact CA-O 3.3Å; H253-H257 WeakPolarHBondContact CA-O 3.22Å; L254-H257 PolarHBondContact N-O 2.84Å; L254-H257 PolarHBondContact O-N 3.11Å; W255-H257 PolarHBondContact O-N 2.97Å; W255-H257 PolarHBondContact O-ND1 2.91Å
258Q81.6Confident79.3Confident146 Ų14675.1 Ų75.168%0.68240%0.404SS*.EExtended strand (participates in β ladder)trans-77.5123.9168.2-69.4-178.221.100108.9H253H253-Q258 WeakPolarHBondContact NE2-CG 3.13Å
259I88Confident79Confident6 Ų680.5 Ų80.53%0.03143%0.427CS..PPolyproline II helixtrans-90146.4174.356.3171.1000110.6V188 G189 L247 L254 V261V188-I259 HydrophobicContact CG1-CB 4.3Å; V188-I259 HydrophobicContact CG1-CG2 4.34Å; G189-I259 WeakPolarHBondContact O-CA 3.39Å; L247-I259 HydrophobicContact CB-CD1 4.03Å; L247-I259 HydrophobicContact CD2-CD1 3.81Å; L247-I259 HydrophobicContact CG-CD1 4.42Å; L254-I259 HydrophobicContact CB-CG2 4.06Å; L254-I259 HydrophobicContact CD1-CD1 3.86Å; L254-I259 HydrophobicContact CD1-CG2 4.24Å; L254-I259 HydrophobicContact CG-CD1 3.98Å; L254-I259 HydrophobicContact CG-CG2 4.21Å; I259-V261 HydrophobicContact CB-CG2 4.39Å; I259-V261 HydrophobicContact CD1-CG2 3.69Å; I259-V261 HydrophobicContact CG1-CG2 4.09Å
260A88.4Confident79.6Confident53 Ų5378.2 Ų78.244%0.43841%0.411SS..EExtended strand (participates in β ladder)trans-107.5112169.400000108.1V188 G189V188-A260 WeakPolarHBondContact CA-O 3.23Å; G189-A260 PolarHBondContact N-O 2.85Å; G189-A260 PolarHBondContact O-N 3Å
261V90.5Very high80.3Confident11 Ų1180.7 Ų80.77%0.06741%0.411CS..EExtended strand (participates in β ladder)trans-113.2125.4-178.1-176.10000110.5L186 F187 V188 R244 L247 I259L186-V261 HydrophobicContact CB-CG1 4.37Å; L186-V261 HydrophobicContact CD1-CG1 3.94Å; F187-V261 WeakPolarHBondContact O-CA 3.49Å; V188-V261 HydrophobicContact CB-CG2 4.5Å; V188-V261 HydrophobicContact CG1-CG2 4.17Å; V188-V261 HydrophobicContact CG2-CG1 4.24Å; V188-V261 HydrophobicContact CG2-CG2 3.97Å; R244-V261 HydrophobicContact CG-CG1 4.39Å; L247-V261 HydrophobicContact CB-CB 4.19Å; L247-V261 HydrophobicContact CB-CG1 4.31Å; L247-V261 HydrophobicContact CB-CG2 3.7Å; L247-V261 HydrophobicContact CD1-CG1 4.35Å; L247-V261 HydrophobicContact CD1-CG2 4.25Å; I259-V261 HydrophobicContact CB-CG2 4.39Å; I259-V261 HydrophobicContact CD1-CG2 3.69Å; I259-V261 HydrophobicContact CG1-CG2 4.09Å
262D92Very high81.2Confident79 Ų7980.8 Ų80.842%0.42241%0.411SS..EExtended strand (participates in β ladder)trans-140.6174.6172.9-150.9-5.1000111.9L186 F187 R244L186-D262 CarbonylContact C-O 3.59Å; L186-D262 WeakPolarHBondContact CA-O 3.13Å; F187-D262 PolarHBondContact N-O 2.69Å; F187-D262 PolarHBondContact O-N 2.8Å; R244-D262 IonicContact CZ-OD1 2.93Å; R244-D262 VanDerWaalsContact CZ-OD1 3.25Å; R244-D262 IonicContact NE-OD1 3.8Å; R244-D262 PolarHBondContact NE-OD1 3.29Å; R244-D262 IonicContact NH2-OD1 3.79Å; R244-D262 PolarHBondContact NH2-OD1 2.84Å
263W91Very high81.8Confident74 Ų7483.8 Ų83.828%0.2843%0.428SS..EExtended strand (participates in β ladder)trans-63.3137.4167.6-67117.8000110.3N183 L186 H237 A240 A241N183-W263 HydrophobicContact CB-CE3 4.33Å; N183-W263 WeakPolarHBondContact O-CZ3 3.32Å; L186-W263 HydrophobicContact CD2-CD2 4.15Å; L186-W263 HydrophobicContact CD2-CE3 3.49Å; L186-W263 VanDerWaalsContact CD2-CE3 3.49Å; L186-W263 HydrophobicContact CD2-CH2 4.44Å; L186-W263 HydrophobicContact CD2-CZ3 3.65Å; H237-W263 AromaticContact CE1-CH2 3.28Å; H237-W263 WeakPolarHBondContact CE1-CH2 3.26Å; H237-W263 AromaticContact CE1-CZ2 3.68Å; H237-W263 AromaticContact CE1-CZ3 3.88Å; H237-W263 AromaticContact ND1-CH2 3.61Å; H237-W263 AromaticContact ND1-CZ3 3.87Å; A240-W263 HydrophobicContact CB-CH2 4.07Å; A240-W263 HydrophobicContact CB-CZ3 3.65Å; A241-W263 HydrophobicContact CB-CH2 3.85Å; A241-W263 HydrophobicContact CB-CZ2 4.09Å
264A91.4Very high82.4Confident4 Ų482.6 Ų82.63%0.03342%0.424CS..PPolyproline II helixtrans-71.6147.7168.800000110N183 R185 F231 P266N183-A264 PolarHBondContact ND2-O 3.21Å; R185-A264 HydrophobicContact CB-CB 3.88Å; R185-A264 HydrophobicContact CG-CB 3.82Å; R185-A264 VanDerWaalsContact O-CB 3.23Å; R185-A264 WeakPolarHBondContact O-CB 3.3Å; R185-A264 PolarHBondContact O-N 2.79Å; F231-A264 HydrophobicContact CD1-CB 3.73Å; F231-A264 HydrophobicContact CE1-CB 3.93Å; A264-P266 WeakPolarHBondContact O-CD 3.47Å
265E86.6Confident82.8Confident131 Ų13184.6 Ų84.661%0.61243%0.434SS*.PPolyproline II helixtrans-56.8120.7165.7-172.2174.7-148.900108.1E267 R363E265-E267 PolarHBondContact O-N 2.85Å; E265-R363 IonicContact OE1-CZ 3.42Å; E265-R363 IonicContact OE1-NH2 2.85Å; E265-R363 PolarHBondContact OE1-NH2 3.47Å; E265-R363 IonicContact OE2-NH2 3.25Å; E265-R363 PolarHBondContact OE2-NH2 3.43Å
266P79.8Confident83.1Confident71 Ų7184.3 Ų84.346%0.46144%0.442SS..PPolyproline II helixtrans-57.5130.2-179.3-27.136000110.9V181 A264 R268V181-P266 HydrophobicContact CG1-CB 3.91Å; V181-P266 HydrophobicContact CG1-CG 4.03Å; A264-P266 WeakPolarHBondContact O-CD 3.47Å; P266-R268 PolarHBondContact O-N 3.28Å
267E76.6Confident83.6Confident116 Ų11688.3 Ų88.354%0.54244%0.44SS..PPolyproline II helixtrans-77120.8-177.4-161.1-176.4136.300109.5R185 E265 E269 K353R185-E267 IonicContact CZ-OE2 2.81Å; R185-E267 IonicContact NH1-OE2 2.74Å; R185-E267 PolarHBondContact NH1-OE2 2.99Å; R185-E267 IonicContact NH2-OE2 2.75Å; E265-E267 PolarHBondContact O-N 2.85Å; E267-E269 PolarHBondContact O-N 3.22Å; E267-E269 VanDerWaalsContact O-N 3.16Å; E267-K353 IonicContact OE1-NZ 3.29Å; E267-K353 PolarHBondContact OE1-NZ 2.86Å
268R72.9Confident84.2Confident112 Ų11284.4 Ų84.442%0.42342%0.423SS..PPolyproline II helixtrans-58.8120.6-175.3-62.2173.7-173.1-162.2-16.3111.2P266 K353 E359P266-R268 PolarHBondContact O-N 3.28Å; R268-K353 PolarHBondContact O-NZ 2.81Å; R268-E359 IonicContact CZ-OE1 2.79Å; R268-E359 IonicContact CZ-OE2 2.97Å; R268-E359 VanDerWaalsContact NH1-CD 3.34Å; R268-E359 IonicContact NH1-OE1 3Å; R268-E359 PolarHBondContact NH1-OE1 2.9Å; R268-E359 IonicContact NH1-OE2 3.72Å; R268-E359 PolarHBondContact NH1-OE2 2.91Å; R268-E359 VanDerWaalsContact NH2-CD 3.32Å; R268-E359 IonicContact NH2-OE1 3.69Å; R268-E359 PolarHBondContact NH2-OE1 3.36Å; R268-E359 IonicContact NH2-OE2 2.83Å; R268-E359 PolarHBondContact NH2-OE2 2.83Å
269E72.2Confident84.8Confident190 Ų19081.9 Ų81.989%0.88841%0.409SS*.PPolyproline II helixtrans-75144.7162.3-61.1-172.6177.400108.5E267E267-E269 PolarHBondContact O-N 3.22Å; E267-E269 VanDerWaalsContact O-N 3.16Å
270V77.9Confident85.1Confident39 Ų3984.2 Ų84.224%0.23642%0.422CS..  trans-134129.9-177.7177.50000107.1E272 I274 M275 P354V270-E272 PolarHBondContact O-N 3.32Å; V270-I274 HydrophobicContact CG1-CB 4.11Å; V270-I274 HydrophobicContact CG1-CD1 4.46Å; V270-I274 HydrophobicContact CG1-CG2 4.3Å; V270-M275 HydrophobicContact CB-CG 4.1Å; V270-M275 HydrophobicContact CB-SD 4.09Å; V270-M275 HydrophobicContact CG1-CG 3.97Å; V270-M275 HydrophobicContact CG1-SD 3.98Å; V270-P354 HydrophobicContact CG1-CG 3.76Å
271N78.2Confident85.4Confident113 Ų11381.7 Ų81.760%0.60440%0.401SS*.  trans-50.9136.4-176.8-61.7-8.1000111.8D273 I274 M275N271-D273 PolarHBondContact O-N 3.46Å; N271-I274 HydrophobicContact CB-CD1 4.07Å; N271-I274 HydrophobicContact CB-CG1 4.15Å; N271-I274 WeakPolarHBondContact O-CB 3.44Å; N271-I274 PolarHBondContact O-N 3.4Å; N271-M275 PolarHBondContact O-N 3.35Å; N271-M275 VanDerWaalsContact O-N 3.13Å
272E82Confident85.6Confident167 Ų16784.2 Ų84.278%0.7841%0.409SS*.Hα-helixtrans-61.2-33.4-175.4-62.9-177.3178.700111.8V270 I274 M275 S276V270-E272 PolarHBondContact O-N 3.32Å; E272-I274 PolarHBondContact O-N 3.48Å; E272-I274 VanDerWaalsContact O-N 3.15Å; E272-M275 CarbonylContact O-C 3.48Å; E272-M275 PolarHBondContact O-N 2.82Å; E272-S276 VanDerWaalsContact O-CB 3.31Å; E272-S276 WeakPolarHBondContact O-CB 3.49Å; E272-S276 PolarHBondContact O-N 3.24Å; E272-S276 PolarHBondContact O-OG 3.09Å
273D83.5Confident85.7Confident114 Ų11480.4 Ų80.461%0.6139%0.389SS*.Hα-helixtrans-62.7-15.1172.6-64.5-56.6000115.5N271 S276 K277N271-D273 PolarHBondContact O-N 3.46Å; D273-S276 WeakPolarHBondContact CA-OG 3.41Å; D273-S276 PolarHBondContact O-OG 3.44Å; D273-K277 VanDerWaalsContact O-CD 3.28Å; D273-K277 WeakPolarHBondContact O-CD 3.36Å; D273-K277 VanDerWaalsContact O-CE 3.27Å; D273-K277 WeakPolarHBondContact O-CE 3.45Å; D273-K277 PolarHBondContact O-NZ 2.83Å
274I85.2Confident85.8Confident80 Ų8080.6 Ų80.641%0.4139%0.39SS..Hα-helixtrans-97-45.8174-52.5175.1000108.4V270 N271 E272 S276 K277 V278 P354V270-I274 HydrophobicContact CG1-CB 4.11Å; V270-I274 HydrophobicContact CG1-CD1 4.46Å; V270-I274 HydrophobicContact CG1-CG2 4.3Å; N271-I274 HydrophobicContact CB-CD1 4.07Å; N271-I274 HydrophobicContact CB-CG1 4.15Å; N271-I274 WeakPolarHBondContact O-CB 3.44Å; N271-I274 PolarHBondContact O-N 3.4Å; E272-I274 PolarHBondContact O-N 3.48Å; E272-I274 VanDerWaalsContact O-N 3.15Å; I274-S276 PolarHBondContact O-N 2.83Å; I274-K277 PolarHBondContact O-N 2.88Å; I274-V278 PolarHBondContact O-N 3.14Å; I274-P354 HydrophobicContact CG2-CG 3.86Å
275M85.8Confident85.7Confident43 Ų4382.1 Ų82.121%0.21240%0.398CS..Hα-helixtrans-61.2-28.5175.9-66.9-61.4-65.100113.1V270 N271 E272 K277 V278 R327 W351V270-M275 HydrophobicContact CB-CG 4.1Å; V270-M275 HydrophobicContact CB-SD 4.09Å; V270-M275 HydrophobicContact CG1-CG 3.97Å; V270-M275 HydrophobicContact CG1-SD 3.98Å; N271-M275 PolarHBondContact O-N 3.35Å; N271-M275 VanDerWaalsContact O-N 3.13Å; E272-M275 CarbonylContact O-C 3.48Å; E272-M275 PolarHBondContact O-N 2.82Å; M275-K277 VanDerWaalsContact C-N 3.25Å; M275-K277 PolarHBondContact O-N 2.81Å; M275-V278 HydrophobicContact SD-CG2 4.4Å; M275-R327 PolarHBondContact O-NH1 2.93Å; M275-R327 PolarHBondContact O-NH2 2.91Å; M275-W351 HydrophobicContact CE-CB 3.77Å
276S86.2Confident85.8Confident56 Ų5676 Ų7639%0.39237%0.369SS..THydrogen-bonded Turntrans-69.4-18.5173.266.20000113.9E272 D273 I274 R327E272-S276 VanDerWaalsContact O-CB 3.31Å; E272-S276 WeakPolarHBondContact O-CB 3.49Å; E272-S276 PolarHBondContact O-N 3.24Å; E272-S276 PolarHBondContact O-OG 3.09Å; D273-S276 WeakPolarHBondContact CA-OG 3.41Å; D273-S276 PolarHBondContact O-OG 3.44Å; I274-S276 PolarHBondContact O-N 2.83Å; S276-R327 WeakPolarHBondContact O-CD 3.38Å; S276-R327 PolarHBondContact O-NE 2.92Å; S276-R327 VanDerWaalsContact O-NE 3.11Å; S276-R327 PolarHBondContact O-NH1 2.98Å
277K88.2Confident86.1Confident151 Ų15175.5 Ų75.566%0.65736%0.361SS*.THydrogen-bonded Turntrans-102.7-8.7-179.6-63.9169.8-173.3134.40113.3D273 I274 M275D273-K277 VanDerWaalsContact O-CD 3.28Å; D273-K277 WeakPolarHBondContact O-CD 3.36Å; D273-K277 VanDerWaalsContact O-CE 3.27Å; D273-K277 WeakPolarHBondContact O-CE 3.45Å; D273-K277 PolarHBondContact O-NZ 2.83Å; I274-K277 PolarHBondContact O-N 2.88Å; M275-K277 VanDerWaalsContact C-N 3.25Å; M275-K277 PolarHBondContact O-N 2.81Å
278V91.1Very high86.6Confident16 Ų1674.9 Ų74.910%0.09736%0.361CS..  trans-63.8133.9178.1174.90000110.8I274 M275 I280 R327 W351I274-V278 PolarHBondContact O-N 3.14Å; M275-V278 HydrophobicContact SD-CG2 4.4Å; V278-I280 HydrophobicContact CG1-CB 4.28Å; V278-I280 WeakPolarHBondContact CG1-O 3.23Å; V278-R327 PolarHBondContact O-NH1 3.37Å; V278-W351 HydrophobicContact CB-CE3 4.35Å; V278-W351 HydrophobicContact CG1-CE3 3.89Å; V278-W351 WeakPolarHBondContact O-CZ3 3.4Å
279K93.1Very high87.3Confident93 Ų9373.2 Ų73.240%0.40437%0.367SS..  trans-117.914.7172.4-57.3-176.8174.1-177.40112.9F324 R325 R327K279-F324 WeakPolarHBondContact CB-O 3.38Å; K279-F324 PolarHBondContact O-N 3.33Å; K279-R325 WeakPolarHBondContact CD-O 3.43Å; K279-R325 WeakPolarHBondContact CE-O 3.46Å; K279-R325 PolarHBondContact NZ-O 2.96Å; K279-R327 HydrophobicContact CG-CB 4.25Å
280I94.4Very high88.1Confident56 Ų5664.3 Ų64.329%0.28733%0.325SS..EExtended strand (participates in β ladder)trans-114.5126.6-174.3-53.1172.7000108.8V278 F321 I322 H323 A352V278-I280 HydrophobicContact CG1-CB 4.28Å; V278-I280 WeakPolarHBondContact CG1-O 3.23Å; I280-F321 HydrophobicContact CG2-CB 4.26Å; I280-F321 HydrophobicContact CG2-CD1 4.35Å; I280-I322 CarbonylContact C-O 3.6Å; I280-I322 WeakPolarHBondContact CA-O 3.14Å; I280-H323 HydrophobicContact CG1-CB 4.49Å; I280-A352 HydrophobicContact CB-CB 4Å; I280-A352 HydrophobicContact CG2-CB 3.73Å; I280-A352 WeakPolarHBondContact O-CB 3.29Å; I280-A352 PolarHBondContact O-N 2.81Å
281L95.4Very high88.8Confident0 Ų065.7 Ų65.70%033%0.334CS..EExtended strand (participates in β ladder)trans-94.4141171.8-58.3-176.8000110.3F299 F321 I322 F324 A330 C333 L334 V349 T350 W351L281-F299 HydrophobicContact CD1-CD1 4.29Å; L281-F299 HydrophobicContact CD1-CE1 3.97Å; L281-F321 WeakPolarHBondContact O-CA 3.2Å; L281-I322 PolarHBondContact N-O 3.12Å; L281-I322 PolarHBondContact O-N 3.02Å; L281-F324 HydrophobicContact CD1-CD2 4.4Å; L281-F324 HydrophobicContact CD1-CE2 3.6Å; L281-F324 HydrophobicContact CD1-CZ 4.23Å; L281-F324 HydrophobicContact CG-CD2 4.29Å; L281-F324 HydrophobicContact CG-CE2 3.89Å; L281-A330 WeakPolarHBondContact CD1-O 3.17Å; L281-A330 HydrophobicContact CD2-CB 4.2Å; L281-A330 HydrophobicContact CG-CB 4.22Å; L281-C333 HydrophobicContact CD1-CB 3.83Å; L281-L334 HydrophobicContact CD1-CB 4.48Å; L281-L334 HydrophobicContact CD2-CB 4.12Å; L281-L334 HydrophobicContact CD2-CD1 3.97Å; L281-L334 HydrophobicContact CD2-CG 4.43Å; L281-V349 HydrophobicContact CB-CG1 4.13Å; L281-V349 HydrophobicContact CD1-CG1 3.81Å; L281-V349 HydrophobicContact CD2-CG1 4.46Å; L281-V349 HydrophobicContact CG-CG1 4.36Å; L281-T350 WeakPolarHBondContact CA-O 3.27Å; L281-W351 HydrophobicContact CD2-CD2 4.27Å; L281-W351 HydrophobicContact CD2-CE3 3.73Å; L281-W351 HydrophobicContact CD2-CH2 4.37Å; L281-W351 HydrophobicContact CD2-CZ3 3.8Å
282Y95Very high89.5Confident63 Ų6363.7 Ų63.725%0.24732%0.321CS..EExtended strand (participates in β ladder)trans-103.1121.5167.1174.5-108.2000108.4R284 Y319 F321 T350Y282-R284 HydrophobicContact CE1-CB 3.89Å; Y282-R284 HydrophobicContact CE1-CG 4.42Å; Y282-Y319 HydrophobicContact CD2-CD2 4.46Å; Y282-Y319 AromaticContact CE2-CD2 3.6Å; Y282-Y319 HydrophobicContact CE2-CD2 3.6Å; Y282-Y319 HydrophobicContact CE2-CE2 4.4Å; Y282-Y319 AromaticContact CE2-CG 3.89Å; Y282-Y319 HydrophobicContact CE2-CG 3.89Å; Y282-F321 HydrophobicContact CD2-CD1 4.05Å; Y282-F321 AromaticContact CD2-CE1 3.54Å; Y282-F321 HydrophobicContact CD2-CE1 3.54Å; Y282-F321 HydrophobicContact CD2-CE2 4.44Å; Y282-F321 AromaticContact CD2-CZ 3.76Å; Y282-F321 HydrophobicContact CD2-CZ 3.76Å; Y282-F321 HydrophobicContact CE2-CE1 4.31Å; Y282-F321 HydrophobicContact CE2-CZ 4.07Å; Y282-F321 HydrophobicContact CG-CE1 4.34Å; Y282-T350 PolarHBondContact N-O 2.94Å; Y282-T350 PolarHBondContact O-N 2.79Å
283V94.3Very high90Very high0 Ų061.5 Ų61.50%031%0.31CS..EExtended strand (participates in β ladder)trans-112125.7-179.3-171.70000108.3L286 F299 Y319 A320 I322 I347 E348 V349V283-L286 HydrophobicContact CG1-CD2 3.68Å; V283-L286 HydrophobicContact CG1-CG 4.31Å; V283-F299 HydrophobicContact CG1-CZ 4.29Å; V283-F299 HydrophobicContact CG2-CE1 4.07Å; V283-F299 HydrophobicContact CG2-CE2 4.12Å; V283-F299 HydrophobicContact CG2-CZ 3.48Å; V283-F299 VanDerWaalsContact CG2-CZ 3.48Å; V283-Y319 CarbonylContact O-C 3.58Å; V283-Y319 WeakPolarHBondContact O-CA 3.26Å; V283-Y319 VanDerWaalsContact O-CB 3.26Å; V283-Y319 WeakPolarHBondContact O-CB 3.36Å; V283-A320 PolarHBondContact N-O 2.97Å; V283-A320 PolarHBondContact O-N 3.23Å; V283-I322 HydrophobicContact CG2-CD1 3.78Å; V283-I322 HydrophobicContact CG2-CG1 4.22Å; V283-I347 HydrophobicContact CG1-CB 4.23Å; V283-I347 HydrophobicContact CG1-CD1 3.99Å; V283-E348 WeakPolarHBondContact CA-O 3.41Å; V283-V349 HydrophobicContact CG1-CG2 4.23Å; V283-V349 HydrophobicContact CG2-CG1 4.43Å; V283-V349 HydrophobicContact CG2-CG2 4.34Å
284R91.7Very high90.4Very high78 Ų7857.9 Ų57.929%0.29429%0.294SS..EExtended strand (participates in β ladder)trans-120.8166.9179.870.9-177.3-167.2-172.94.7112.6Y282 E348Y282-R284 HydrophobicContact CE1-CB 3.89Å; Y282-R284 HydrophobicContact CE1-CG 4.42Å; R284-E348 HydrophobicContact CG-CB 3.81Å; R284-E348 IonicContact CZ-OE2 3.66Å; R284-E348 PolarHBondContact N-O 2.78Å; R284-E348 IonicContact NE-OE2 2.6Å; R284-E348 PolarHBondContact NE-OE2 3.36Å; R284-E348 IonicContact NH2-OE2 2.79Å; R284-E348 PolarHBondContact NH2-OE2 3.18Å; R284-E348 PolarHBondContact O-N 2.73Å
285N88.7Confident90.7Very high36 Ų3654 Ų5419%0.19328%0.275CS..SBendtrans63.136-175.7-163.522.4000114.2K223 D318 S345 K346K223-N285 WeakPolarHBondContact CD-OD1 3.31Å; K223-N285 VanDerWaalsContact CE-OD1 3.28Å; K223-N285 WeakPolarHBondContact CE-OD1 3.22Å; K223-N285 PolarHBondContact NZ-O 3.46Å; K223-N285 PolarHBondContact NZ-OD1 3.26Å; N285-D318 PolarHBondContact N-O 3.17Å; N285-D318 VanDerWaalsContact N-O 3.12Å; N285-S345 WeakPolarHBondContact O-CB 3.43Å; N285-K346 PolarHBondContact ND2-O 3.27Å
286L90.4Very high91.1Very high1 Ų156.9 Ų56.91%0.00528%0.283CS..  trans-70.7161.5169.1-57-178000111.2K223 V283 L295 K315 D318 A320 I347K223-L286 WeakPolarHBondContact CE-O 3.41Å; K223-L286 VanDerWaalsContact NZ-C 3.25Å; K223-L286 PolarHBondContact NZ-O 3.22Å; V283-L286 HydrophobicContact CG1-CD2 3.68Å; V283-L286 HydrophobicContact CG1-CG 4.31Å; L286-L295 HydrophobicContact CD1-CD1 3.73Å; L286-L295 HydrophobicContact CD1-CD2 4.03Å; L286-L295 HydrophobicContact CD2-CD2 3.7Å; L286-K315 HydrophobicContact CD1-CG 4.26Å; L286-D318 PolarHBondContact N-O 3.17Å; L286-A320 HydrophobicContact CD1-CB 3.61Å; L286-I347 HydrophobicContact CD2-CG2 3.69Å
287M85.9Confident91.4Very high61 Ų6159.1 Ų59.130%0.329%0.291SS..  trans-85.9157.2169.2-67-168.458.600111S289 T290 K315 D343 S345M287-S289 VanDerWaalsContact CB-OG 3.31Å; M287-S289 WeakPolarHBondContact CB-OG 3.49Å; M287-S289 PolarHBondContact O-N 3.43Å; M287-T290 WeakPolarHBondContact CB-OG1 3.17Å; M287-T290 PolarHBondContact N-OG1 2.83Å; M287-T290 VanDerWaalsContact N-OG1 3.15Å; M287-T290 PolarHBondContact O-N 3.01Å; M287-T290 PolarHBondContact O-OG1 3.09Å; M287-K315 WeakPolarHBondContact O-CE 3.26Å; M287-K315 PolarHBondContact O-NZ 3.09Å; M287-D343 HydrophobicContact CG-CB 4.29Å; M287-D343 HydrophobicContact SD-CB 3.81Å; M287-S345 WeakPolarHBondContact CG-OG 3.48Å; M287-S345 PolarHBondContact SD-OG 3.43Å
288L86.7Confident91.5Very high103 Ų10353.7 Ų53.754%0.53927%0.272SS..THydrogen-bonded Turntrans-59.5-34.7170-70.8175.7000111.4V220 K315V220-L288 HydrophobicContact CG1-CD1 4.17Å; V220-L288 HydrophobicContact CG1-CD2 3.69Å; V220-L288 HydrophobicContact CG1-CG 4.02Å; L288-K315 PolarHBondContact O-NZ 2.84Å
289S87.9Confident91.6Very high78 Ų7853 Ų5355%0.54527%0.267SS..THydrogen-bonded Turntrans-69-26.5176.549.90000115.3M287 T291M287-S289 VanDerWaalsContact CB-OG 3.31Å; M287-S289 WeakPolarHBondContact CB-OG 3.49Å; M287-S289 PolarHBondContact O-N 3.43Å; S289-T291 PolarHBondContact O-N 3.02Å
290T89.3Confident91.6Very high3 Ų349.5 Ų49.52%0.01825%0.253CS..  trans-61.8125.4-177.8-44.30000110.3M287 L295 K315 I342 D343M287-T290 WeakPolarHBondContact CB-OG1 3.17Å; M287-T290 PolarHBondContact N-OG1 2.83Å; M287-T290 VanDerWaalsContact N-OG1 3.15Å; M287-T290 PolarHBondContact O-N 3.01Å; M287-T290 PolarHBondContact O-OG1 3.09Å; T290-L295 HydrophobicContact CG2-CD1 4.35Å; T290-L295 HydrophobicContact CG2-CD2 3.87Å; T290-L295 HydrophobicContact CG2-CG 3.84Å; T290-K315 VanDerWaalsContact O-CD 3.24Å; T290-K315 WeakPolarHBondContact O-CD 3.44Å; T290-K315 WeakPolarHBondContact O-CE 3.28Å; T290-K315 PolarHBondContact O-NZ 3.44Å; T290-I342 HydrophobicContact CG2-CG2 3.95Å; T290-D343 WeakPolarHBondContact CA-OD2 3.35Å; T290-D343 WeakPolarHBondContact CB-OD2 3.39Å; T290-D343 WeakPolarHBondContact CG2-OD2 3.44Å; T290-D343 PolarHBondContact N-OD2 2.88Å; T290-D343 PolarHBondContact OG1-OD2 2.84Å
291T92.6Very high91.4Very high67 Ų6755.3 Ų55.341%0.41128%0.276SS..  trans-90.6169.4-178.881.50000112S289 E293 S294 L295S289-T291 PolarHBondContact O-N 3.02Å; T291-E293 VanDerWaalsContact C-N 3.28Å; T291-E293 WeakPolarHBondContact CB-OE2 3.31Å; T291-E293 PolarHBondContact OG1-N 3.39Å; T291-E293 PolarHBondContact OG1-OE2 3.07Å; T291-S294 PolarHBondContact OG1-N 2.98Å; T291-L295 WeakPolarHBondContact O-CD1 3.46Å; T291-L295 WeakPolarHBondContact O-CG 3.09Å; T291-L295 PolarHBondContact O-N 2.83Å
292E92.9Very high91.1Very high72 Ų7255.8 Ų55.834%0.33628%0.28SS..Hα-helixtrans-69.4-30176.6-64.8-161146.700111.9R296 V313 K314 K315E292-R296 WeakPolarHBondContact O-CB 3.47Å; E292-R296 PolarHBondContact O-N 3.16Å; E292-V313 HydrophobicContact CB-CG1 4.09Å; E292-V313 HydrophobicContact CG-CG1 4.3Å; E292-K314 WeakPolarHBondContact OE1-CA 3.21Å; E292-K315 HydrophobicContact CG-CB 3.81Å; E292-K315 PolarHBondContact OE1-N 3.38Å
293E91.9Very high90.8Very high120 Ų12053.3 Ų53.356%0.56127%0.273SS*.Hα-helixtrans-69.9-48.6178.4-53.372.7-15800110.9T291 L295 R296 D297T291-E293 VanDerWaalsContact C-N 3.28Å; T291-E293 WeakPolarHBondContact CB-OE2 3.31Å; T291-E293 PolarHBondContact OG1-N 3.39Å; T291-E293 PolarHBondContact OG1-OE2 3.07Å; E293-L295 PolarHBondContact O-N 2.78Å; E293-R296 WeakPolarHBondContact O-CA 3.46Å; E293-R296 WeakPolarHBondContact O-CB 3.19Å; E293-R296 PolarHBondContact O-N 3.47Å; E293-D297 PolarHBondContact O-N 2.83Å
294S91.5Very high90.3Very high38 Ų3856.5 Ų56.527%0.26631%0.305SS..Hα-helixtrans-56.6-39.2176.21750000112.4T291 S298T291-S294 PolarHBondContact OG1-N 2.98Å; S294-S298 WeakPolarHBondContact O-CB 3.38Å; S294-S298 PolarHBondContact O-N 3.22Å; S294-S298 VanDerWaalsContact O-N 3.13Å; S294-S298 PolarHBondContact O-OG 2.83Å
295L92.5Very high89.9Confident0 Ų054.8 Ų54.80%031%0.312CS..Hα-helixtrans-66.6-46.2171.8-66.1165.7000111.4L286 T290 T291 E293 D297 S298 F299 V313 K315 A320 I342L286-L295 HydrophobicContact CD1-CD1 3.73Å; L286-L295 HydrophobicContact CD1-CD2 4.03Å; L286-L295 HydrophobicContact CD2-CD2 3.7Å; T290-L295 HydrophobicContact CG2-CD1 4.35Å; T290-L295 HydrophobicContact CG2-CD2 3.87Å; T290-L295 HydrophobicContact CG2-CG 3.84Å; T291-L295 WeakPolarHBondContact O-CD1 3.46Å; T291-L295 WeakPolarHBondContact O-CG 3.09Å; T291-L295 PolarHBondContact O-N 2.83Å; E293-L295 PolarHBondContact O-N 2.78Å; L295-D297 VanDerWaalsContact C-N 3.35Å; L295-D297 PolarHBondContact O-N 2.91Å; L295-S298 PolarHBondContact O-N 3.41Å; L295-F299 VanDerWaalsContact O-CD2 3.3Å; L295-F299 WeakPolarHBondContact O-CD2 3.5Å; L295-F299 PolarHBondContact O-N 3.42Å; L295-V313 HydrophobicContact CB-CG1 4.29Å; L295-V313 HydrophobicContact CD1-CG1 4.31Å; L295-K315 HydrophobicContact CD1-CB 4.39Å; L295-K315 HydrophobicContact CD1-CD 4.28Å; L295-K315 HydrophobicContact CD1-CG 4.36Å; L295-A320 HydrophobicContact CD1-CB 3.98Å; L295-I342 HydrophobicContact CD2-CD1 4.28Å
296R93.2Very high89.8Confident103 Ų10356.4 Ų56.439%0.38932%0.321SS..Hα-helixtrans-57.1-49.2179.7-160.2-166.9-173.1144.611111.2E292 E293 S298 F299 I300 V310 V313E292-R296 WeakPolarHBondContact O-CB 3.47Å; E292-R296 PolarHBondContact O-N 3.16Å; E293-R296 WeakPolarHBondContact O-CA 3.46Å; E293-R296 WeakPolarHBondContact O-CB 3.19Å; E293-R296 PolarHBondContact O-N 3.47Å; R296-S298 PolarHBondContact O-N 2.83Å; R296-F299 PolarHBondContact O-N 3.08Å; R296-I300 HydrophobicContact CG-CD1 3.74Å; R296-I300 HydrophobicContact CG-CG1 4.42Å; R296-I300 WeakPolarHBondContact O-CB 3.46Å; R296-I300 VanDerWaalsContact O-CG1 3.26Å; R296-I300 WeakPolarHBondContact O-CG1 3.42Å; R296-I300 PolarHBondContact O-N 3.14Å; R296-V310 HydrophobicContact CG-CB 4.34Å; R296-V310 HydrophobicContact CG-CG1 4.08Å; R296-V310 PolarHBondContact NH2-O 2.59Å; R296-V313 HydrophobicContact CB-CG2 3.94Å; R296-V313 HydrophobicContact CG-CG2 4.1Å
297D92.1Very high89.4Confident103 Ų10360.3 Ų60.355%0.55135%0.346SS*.Hα-helixtrans-64.7-41.2-178.8-64.8-16.1000111.5E293 L295 F299 K301E293-D297 PolarHBondContact O-N 2.83Å; L295-D297 VanDerWaalsContact C-N 3.35Å; L295-D297 PolarHBondContact O-N 2.91Å; D297-F299 PolarHBondContact O-N 2.91Å; D297-K301 VanDerWaalsContact O-CB 3.28Å; D297-K301 WeakPolarHBondContact O-CB 3.38Å; D297-K301 PolarHBondContact O-N 3.1Å
298S91.8Very high89.5Confident37 Ų3760.8 Ų60.826%0.25935%0.35SS..Hα-helixtrans-61.7-43.5176.7-60.80000112.3S294 L295 R296 A302S294-S298 WeakPolarHBondContact O-CB 3.38Å; S294-S298 PolarHBondContact O-N 3.22Å; S294-S298 VanDerWaalsContact O-N 3.13Å; S294-S298 PolarHBondContact O-OG 2.83Å; L295-S298 PolarHBondContact O-N 3.41Å; R296-S298 PolarHBondContact O-N 2.83Å; S298-A302 PolarHBondContact O-N 2.8Å
299F92.7Very high89.5Confident0 Ų056 Ų560%033%0.325CS..Hα-helixtrans-79.4-33-179.8-80.2-101.7000112.9L281 V283 L295 R296 D297 K301 A302 A303 V310 I322 F324 C333 L337 I342 I347 V349L281-F299 HydrophobicContact CD1-CD1 4.29Å; L281-F299 HydrophobicContact CD1-CE1 3.97Å; V283-F299 HydrophobicContact CG1-CZ 4.29Å; V283-F299 HydrophobicContact CG2-CE1 4.07Å; V283-F299 HydrophobicContact CG2-CE2 4.12Å; V283-F299 HydrophobicContact CG2-CZ 3.48Å; V283-F299 VanDerWaalsContact CG2-CZ 3.48Å; L295-F299 VanDerWaalsContact O-CD2 3.3Å; L295-F299 WeakPolarHBondContact O-CD2 3.5Å; L295-F299 PolarHBondContact O-N 3.42Å; R296-F299 PolarHBondContact O-N 3.08Å; D297-F299 PolarHBondContact O-N 2.91Å; F299-K301 VanDerWaalsContact C-N 3.33Å; F299-A302 PolarHBondContact O-N 2.75Å; F299-A303 WeakPolarHBondContact O-CB 3.43Å; F299-A303 PolarHBondContact O-N 2.72Å; F299-V310 HydrophobicContact CB-CG2 4.21Å; F299-I322 HydrophobicContact CB-CD1 4.26Å; F299-I322 HydrophobicContact CB-CG2 4.48Å; F299-I322 HydrophobicContact CD1-CD1 3.72Å; F299-I322 HydrophobicContact CD2-CD1 3.37Å; F299-I322 HydrophobicContact CE1-CD1 3.85Å; F299-I322 HydrophobicContact CE2-CD1 3.5Å; F299-I322 HydrophobicContact CG-CD1 3.49Å; F299-I322 VanDerWaalsContact CG-CD1 3.49Å; F299-I322 HydrophobicContact CZ-CD1 3.75Å; F299-F324 HydrophobicContact CB-CZ 4.28Å; F299-F324 HydrophobicContact CD1-CE2 4.44Å; F299-F324 HydrophobicContact CD1-CZ 4.01Å; F299-C333 HydrophobicContact CD1-CB 3.98Å; F299-C333 HydrophobicContact CE1-CB 4.38Å; F299-C333 PolarHBondContact O-SG 2.62Å; F299-L337 HydrophobicContact CB-CD1 4.27Å; F299-L337 HydrophobicContact CD1-CD1 3.45Å; F299-L337 VanDerWaalsContact CD1-CD1 3.45Å; F299-L337 HydrophobicContact CD2-CD1 3.64Å; F299-L337 HydrophobicContact CE1-CB 4.25Å; F299-L337 HydrophobicContact CE1-CD1 3.52Å; F299-L337 HydrophobicContact CE2-CD1 3.71Å; F299-L337 HydrophobicContact CG-CD1 3.52Å; F299-L337 HydrophobicContact CZ-CB 4.15Å; F299-L337 HydrophobicContact CZ-CD1 3.65Å; F299-I342 HydrophobicContact CE2-CD1 4.48Å; F299-I347 HydrophobicContact CE2-CD1 4.4Å; F299-I347 HydrophobicContact CZ-CD1 4.29Å; F299-V349 HydrophobicContact CE1-CG1 4.26Å; F299-V349 HydrophobicContact CE1-CG2 4.4Å; F299-V349 HydrophobicContact CZ-CG2 3.98Å
300I92.3Very high89.7Confident21 Ų2152.3 Ų52.311%0.10830%0.299CS..Hα-helixtrans-58.8-46.5168-74.5164.3000110.1R296 A302 A303 G305 P307 V310R296-I300 HydrophobicContact CG-CD1 3.74Å; R296-I300 HydrophobicContact CG-CG1 4.42Å; R296-I300 WeakPolarHBondContact O-CB 3.46Å; R296-I300 VanDerWaalsContact O-CG1 3.26Å; R296-I300 WeakPolarHBondContact O-CG1 3.42Å; R296-I300 PolarHBondContact O-N 3.14Å; I300-A302 VanDerWaalsContact C-N 3.31Å; I300-A302 PolarHBondContact O-N 3.41Å; I300-A303 PolarHBondContact O-N 2.8Å; I300-A303 VanDerWaalsContact O-N 3.15Å; I300-G305 WeakPolarHBondContact O-CA 3.47Å; I300-G305 PolarHBondContact O-N 2.85Å; I300-P307 HydrophobicContact CD1-CB 4.43Å; I300-V310 HydrophobicContact CG1-CB 4.26Å; I300-V310 HydrophobicContact CG1-CG2 3.97Å
301K90.7Very high89.9Confident177 Ų17758.3 Ų58.377%0.7733%0.327SS*.Hα-helixtrans-61.6-37.4179.1-173177.6-179.9-178.80112.6D297 F299D297-K301 VanDerWaalsContact O-CB 3.28Å; D297-K301 WeakPolarHBondContact O-CB 3.38Å; D297-K301 PolarHBondContact O-N 3.1Å; F299-K301 VanDerWaalsContact C-N 3.33Å
302A90.1Very high89.9Confident10 Ų1061.9 Ų61.98%0.08333%0.333CS..Hα-helixtrans-73.7-29175.200000113.6S298 F299 I300 G304 Q332 T336 L337S298-A302 PolarHBondContact O-N 2.8Å; F299-A302 PolarHBondContact O-N 2.75Å; I300-A302 VanDerWaalsContact C-N 3.31Å; I300-A302 PolarHBondContact O-N 3.41Å; A302-G304 PolarHBondContact O-N 2.87Å; A302-Q332 PolarHBondContact O-NE2 2.92Å; A302-Q332 VanDerWaalsContact O-NE2 3.09Å; A302-T336 HydrophobicContact CB-CG2 4.06Å; A302-L337 HydrophobicContact CB-CD1 3.48Å; A302-L337 VanDerWaalsContact CB-CD1 3.48Å; A302-L337 HydrophobicContact CB-CD2 4.12Å; A302-L337 HydrophobicContact CB-CG 3.64Å
303A87.9Confident89.9Confident12 Ų1259.1 Ų59.110%0.09932%0.321CS..THydrogen-bonded Turntrans-764176.500000114.4F299 I300 F324F299-A303 WeakPolarHBondContact O-CB 3.43Å; F299-A303 PolarHBondContact O-N 2.72Å; I300-A303 PolarHBondContact O-N 2.8Å; I300-A303 VanDerWaalsContact O-N 3.15Å; A303-F324 HydrophobicContact CB-CE1 4.24Å
304G84.2Confident90Very high66 Ų6658.1 Ų58.168%0.6832%0.315SS*.THydrogen-bonded Turntrans97.21.3-176.700000114.9A302A302-G304 PolarHBondContact O-N 2.87Å
305G83.5Confident90.1Very high43 Ų4358.2 Ų58.244%0.44331%0.31SS..SBendtrans97.41.6170.400000116.5I300 P307I300-G305 WeakPolarHBondContact O-CA 3.47Å; I300-G305 PolarHBondContact O-N 2.85Å; G305-P307 WeakPolarHBondContact O-CD 3.48Å
306D84.9Confident90Very high69 Ų6961.3 Ų61.337%0.36933%0.326SS..  trans-74118.5173.4176.315.2000110.8N308 S309D306-N308 PolarHBondContact O-N 3.03Å; D306-N308 VanDerWaalsContact O-N 3.13Å; D306-N308 VanDerWaalsContact OD1-CB 3.27Å; D306-N308 WeakPolarHBondContact OD1-CB 3.41Å; D306-N308 PolarHBondContact OD1-N 3.3Å; D306-N308 PolarHBondContact OD1-ND2 3.11Å; D306-N308 WeakPolarHBondContact OD2-CB 3.35Å; D306-S309 WeakPolarHBondContact O-CB 3.24Å; D306-S309 PolarHBondContact O-N 2.78Å; D306-S309 VanDerWaalsContact O-N 3.13Å; D306-S309 PolarHBondContact O-OG 2.9Å
307P83.6Confident89.7Confident83 Ų8359 Ų5954%0.53933%0.325SS..THydrogen-bonded Turntrans-63.9-15.9177.327.7-36.3000113.7I300 G305I300-P307 HydrophobicContact CD1-CB 4.43Å; G305-P307 WeakPolarHBondContact O-CD 3.48Å
308N86.6Confident89.6Confident71 Ų7155.5 Ų55.538%0.3831%0.307SS..THydrogen-bonded Turntrans-77.4-21.1175.6-68.6-81.2000114D306 V310 R325D306-N308 PolarHBondContact O-N 3.03Å; D306-N308 VanDerWaalsContact O-N 3.13Å; D306-N308 VanDerWaalsContact OD1-CB 3.27Å; D306-N308 WeakPolarHBondContact OD1-CB 3.41Å; D306-N308 PolarHBondContact OD1-N 3.3Å; D306-N308 PolarHBondContact OD1-ND2 3.11Å; D306-N308 WeakPolarHBondContact OD2-CB 3.35Å; N308-V310 VanDerWaalsContact C-N 3.29Å; N308-V310 PolarHBondContact O-N 3.3Å; N308-R325 WeakPolarHBondContact O-CD 3.37Å; N308-R325 PolarHBondContact O-NE 2.68Å; N308-R325 PolarHBondContact OD1-NH1 2.95Å; N308-R325 PolarHBondContact OD1-NH2 2.79Å
309S88.6Confident89.6Confident2 Ų257 Ų571%0.01431%0.308CS..SBendtrans-53.8-45.5-176.1-69.60000113D306 F324 R325 Q329D306-S309 WeakPolarHBondContact O-CB 3.24Å; D306-S309 PolarHBondContact O-N 2.78Å; D306-S309 VanDerWaalsContact O-N 3.13Å; D306-S309 PolarHBondContact O-OG 2.9Å; S309-F324 WeakPolarHBondContact O-CA 3.42Å; S309-R325 PolarHBondContact O-N 3.43Å; S309-Q329 PolarHBondContact OG-OE1 3.47Å
310V92Very high89.7Confident1 Ų157 Ų571%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-93104.3179.1-178.60000109.5R296 F299 I300 N308 V313 I322 F324R296-V310 HydrophobicContact CG-CB 4.34Å; R296-V310 HydrophobicContact CG-CG1 4.08Å; R296-V310 PolarHBondContact NH2-O 2.59Å; F299-V310 HydrophobicContact CB-CG2 4.21Å; I300-V310 HydrophobicContact CG1-CB 4.26Å; I300-V310 HydrophobicContact CG1-CG2 3.97Å; N308-V310 VanDerWaalsContact C-N 3.29Å; N308-V310 PolarHBondContact O-N 3.3Å; V310-V313 HydrophobicContact CG1-CG2 3.85Å; V310-I322 HydrophobicContact CG1-CG2 3.78Å; V310-I322 HydrophobicContact CG2-CG2 4.21Å; V310-F324 HydrophobicContact CG2-CD1 4.37Å; V310-F324 HydrophobicContact CG2-CE1 3.8Å; V310-F324 HydrophobicContact CG2-CZ 4.06Å
311E92Very high89.9Confident129 Ų12958.9 Ų58.960%0.60332%0.315SS*.EExtended strand (participates in β ladder)trans-67.3-49.8174.6-174.6-168.8158.500110.7H323 R325E311-H323 HydrophobicContact CB-CB 4.43Å; E311-H323 PolarHBondContact N-O 3.32Å; E311-R325 HydrophobicContact CB-CG 4.49Å
312R92.1Very high90.1Very high143 Ų14350.5 Ų50.554%0.5428%0.278SS..EExtended strand (participates in β ladder)trans-151.5129.8-174.9-178.2173-175.3101.621.5113.5H323R312-H323 HydrophobicContact CB-CB 4.16Å; R312-H323 PolarHBondContact N-O 3.48Å; R312-H323 PolarHBondContact O-N 3.06Å; R312-H323 PolarHBondContact O-ND1 3.47Å
313V94.6Very high90.3Very high13 Ų1352.2 Ų52.28%0.07929%0.285CS..EExtended strand (participates in β ladder)trans-93.5148.3160.1-177.60000109.2E292 L295 R296 V310 F321 I322E292-V313 HydrophobicContact CB-CG1 4.09Å; E292-V313 HydrophobicContact CG-CG1 4.3Å; L295-V313 HydrophobicContact CB-CG1 4.29Å; L295-V313 HydrophobicContact CD1-CG1 4.31Å; R296-V313 HydrophobicContact CB-CG2 3.94Å; R296-V313 HydrophobicContact CG-CG2 4.1Å; V310-V313 HydrophobicContact CG1-CG2 3.85Å; V313-F321 CarbonylContact C-O 3.57Å; V313-F321 WeakPolarHBondContact CA-O 3.47Å; V313-I322 HydrophobicContact CG2-CG1 4.45Å; V313-I322 HydrophobicContact CG2-CG2 4.5Å
314K94Very high90.6Very high100 Ų10051.9 Ų51.944%0.43528%0.281SS..EExtended strand (participates in β ladder)trans-146.2101.7167.1-175.4-175-178.7-175.80109.5E292 A320 F321E292-K314 WeakPolarHBondContact OE1-CA 3.21Å; K314-A320 CarbonylContact O-C 3.52Å; K314-A320 VanDerWaalsContact O-CA 3.27Å; K314-A320 WeakPolarHBondContact O-CA 3.42Å; K314-F321 PolarHBondContact N-O 3.3Å; K314-F321 PolarHBondContact O-N 2.87Å
315K93Very high91Very high39 Ų3954.9 Ų54.917%0.1727%0.272CS..EExtended strand (participates in β ladder)trans-86142175.2-168.7-172.1-178.1-145.40110.5L286 M287 L288 T290 E292 L295 S317 Y319 A320L286-K315 HydrophobicContact CD1-CG 4.26Å; M287-K315 WeakPolarHBondContact O-CE 3.26Å; M287-K315 PolarHBondContact O-NZ 3.09Å; L288-K315 PolarHBondContact O-NZ 2.84Å; T290-K315 VanDerWaalsContact O-CD 3.24Å; T290-K315 WeakPolarHBondContact O-CD 3.44Å; T290-K315 WeakPolarHBondContact O-CE 3.28Å; T290-K315 PolarHBondContact O-NZ 3.44Å; E292-K315 HydrophobicContact CG-CB 3.81Å; E292-K315 PolarHBondContact OE1-N 3.38Å; L295-K315 HydrophobicContact CD1-CB 4.39Å; L295-K315 HydrophobicContact CD1-CD 4.28Å; L295-K315 HydrophobicContact CD1-CG 4.36Å; K315-S317 WeakPolarHBondContact CE-O 3.41Å; K315-S317 PolarHBondContact NZ-O 3.37Å; K315-Y319 WeakPolarHBondContact CG-O 3.36Å; K315-A320 HydrophobicContact CB-CB 4.19Å; K315-A320 HydrophobicContact CG-CB 4.35Å
316I90.4Very high91.4Very high66 Ų6657.4 Ų57.434%0.33827%0.272SS..EExtended strand (participates in β ladder)trans-139.4109.6171.3-51.4178.7000107.1D318 Y319I316-D318 PolarHBondContact O-N 3.45Å; I316-Y319 CarbonylContact C-O 3.55Å; I316-Y319 HydrophobicContact CB-CD2 4.3Å; I316-Y319 HydrophobicContact CB-CE1 4.39Å; I316-Y319 HydrophobicContact CB-CE2 3.71Å; I316-Y319 HydrophobicContact CD1-CE2 4.08Å; I316-Y319 HydrophobicContact CG1-CE2 4.27Å; I316-Y319 HydrophobicContact CG2-CE1 4.4Å; I316-Y319 HydrophobicContact CG2-CE2 4.31Å; I316-Y319 PolarHBondContact N-O 2.97Å; I316-Y319 VanDerWaalsContact O-CD1 3.29Å; I316-Y319 WeakPolarHBondContact O-CD1 3.43Å; I316-Y319 WeakPolarHBondContact O-CE1 3.28Å; I316-Y319 PolarHBondContact O-N 3.08Å; I316-Y319 VanDerWaalsContact O-N 3.14Å; I316-Y319 VanDerWaalsContact O-O 3.1Å
317S87.1Confident91.8Very high53 Ų5357 Ų5737%0.37127%0.265SS..THydrogen-bonded Turntrans56.3-101.8180-179.10000113.4V220 K315V220-S317 WeakPolarHBondContact CG1-OG 3.34Å; K315-S317 WeakPolarHBondContact CE-O 3.41Å; K315-S317 PolarHBondContact NZ-O 3.37Å
318D88.7Confident92.2Very high31 Ų3158.7 Ų58.717%0.16627%0.266CS..THydrogen-bonded Turntrans-109.78-171.747.9-54.3000113.3V220 R227 N285 L286 I316V220-D318 HydrophobicContact CG1-CB 4.2Å; V220-D318 HydrophobicContact CG2-CB 4.43Å; R227-D318 IonicContact NH1-OD2 3.02Å; R227-D318 PolarHBondContact NH1-OD2 3.13Å; N285-D318 PolarHBondContact N-O 3.17Å; N285-D318 VanDerWaalsContact N-O 3.12Å; L286-D318 PolarHBondContact N-O 3.17Å; I316-D318 PolarHBondContact O-N 3.45Å
319Y92.8Very high92.4Very high68 Ų6856.8 Ų56.827%0.26726%0.255SS..EExtended strand (participates in β ladder)trans-141.1165.6176.661.3-89.9000112.4Y282 V283 K315 I316 F321Y282-Y319 HydrophobicContact CD2-CD2 4.46Å; Y282-Y319 AromaticContact CE2-CD2 3.6Å; Y282-Y319 HydrophobicContact CE2-CD2 3.6Å; Y282-Y319 HydrophobicContact CE2-CE2 4.4Å; Y282-Y319 AromaticContact CE2-CG 3.89Å; Y282-Y319 HydrophobicContact CE2-CG 3.89Å; V283-Y319 CarbonylContact O-C 3.58Å; V283-Y319 WeakPolarHBondContact O-CA 3.26Å; V283-Y319 VanDerWaalsContact O-CB 3.26Å; V283-Y319 WeakPolarHBondContact O-CB 3.36Å; K315-Y319 WeakPolarHBondContact CG-O 3.36Å; I316-Y319 CarbonylContact C-O 3.55Å; I316-Y319 HydrophobicContact CB-CD2 4.3Å; I316-Y319 HydrophobicContact CB-CE1 4.39Å; I316-Y319 HydrophobicContact CB-CE2 3.71Å; I316-Y319 HydrophobicContact CD1-CE2 4.08Å; I316-Y319 HydrophobicContact CG1-CE2 4.27Å; I316-Y319 HydrophobicContact CG2-CE1 4.4Å; I316-Y319 HydrophobicContact CG2-CE2 4.31Å; I316-Y319 PolarHBondContact N-O 2.97Å; I316-Y319 VanDerWaalsContact O-CD1 3.29Å; I316-Y319 WeakPolarHBondContact O-CD1 3.43Å; I316-Y319 WeakPolarHBondContact O-CE1 3.28Å; I316-Y319 PolarHBondContact O-N 3.08Å; I316-Y319 VanDerWaalsContact O-N 3.14Å; I316-Y319 VanDerWaalsContact O-O 3.1Å; Y319-F321 HydrophobicContact CD2-CE2 4.12Å; Y319-F321 AromaticContact CE2-CE2 3.91Å; Y319-F321 HydrophobicContact CE2-CE2 3.91Å
320A94.9Very high92.6Very high0 Ų056.7 Ų56.70%025%0.254CS..EExtended strand (participates in β ladder)trans-146.1156.9176.100000112.6V283 L286 L295 K314 K315V283-A320 PolarHBondContact N-O 2.97Å; V283-A320 PolarHBondContact O-N 3.23Å; L286-A320 HydrophobicContact CD1-CB 3.61Å; L295-A320 HydrophobicContact CD1-CB 3.98Å; K314-A320 CarbonylContact O-C 3.52Å; K314-A320 VanDerWaalsContact O-CA 3.27Å; K314-A320 WeakPolarHBondContact O-CA 3.42Å; K315-A320 HydrophobicContact CB-CB 4.19Å; K315-A320 HydrophobicContact CG-CB 4.35Å
321F95.7Very high92.7Very high61 Ų6159.9 Ų59.927%0.26827%0.271SS..EExtended strand (participates in β ladder)trans-110.8130.4168.2-63.3-84.8000109.8I280 L281 Y282 V313 K314 Y319 A352I280-F321 HydrophobicContact CG2-CB 4.26Å; I280-F321 HydrophobicContact CG2-CD1 4.35Å; L281-F321 WeakPolarHBondContact O-CA 3.2Å; Y282-F321 HydrophobicContact CD2-CD1 4.05Å; Y282-F321 AromaticContact CD2-CE1 3.54Å; Y282-F321 HydrophobicContact CD2-CE1 3.54Å; Y282-F321 HydrophobicContact CD2-CE2 4.44Å; Y282-F321 AromaticContact CD2-CZ 3.76Å; Y282-F321 HydrophobicContact CD2-CZ 3.76Å; Y282-F321 HydrophobicContact CE2-CE1 4.31Å; Y282-F321 HydrophobicContact CE2-CZ 4.07Å; Y282-F321 HydrophobicContact CG-CE1 4.34Å; V313-F321 CarbonylContact C-O 3.57Å; V313-F321 WeakPolarHBondContact CA-O 3.47Å; K314-F321 PolarHBondContact N-O 3.3Å; K314-F321 PolarHBondContact O-N 2.87Å; Y319-F321 HydrophobicContact CD2-CE2 4.12Å; Y319-F321 AromaticContact CE2-CE2 3.91Å; Y319-F321 HydrophobicContact CE2-CE2 3.91Å; F321-A352 HydrophobicContact CD1-CB 3.93Å; F321-A352 HydrophobicContact CE1-CB 4.09Å
322I95.2Very high92.7Very high0 Ų058.3 Ų58.30%026%0.264CS..EExtended strand (participates in β ladder)trans-122.8118.5-177.8-54.7-176.1000108.4I280 L281 V283 F299 V310 V313 F324I280-I322 CarbonylContact C-O 3.6Å; I280-I322 WeakPolarHBondContact CA-O 3.14Å; L281-I322 PolarHBondContact N-O 3.12Å; L281-I322 PolarHBondContact O-N 3.02Å; V283-I322 HydrophobicContact CG2-CD1 3.78Å; V283-I322 HydrophobicContact CG2-CG1 4.22Å; F299-I322 HydrophobicContact CB-CD1 4.26Å; F299-I322 HydrophobicContact CB-CG2 4.48Å; F299-I322 HydrophobicContact CD1-CD1 3.72Å; F299-I322 HydrophobicContact CD2-CD1 3.37Å; F299-I322 HydrophobicContact CE1-CD1 3.85Å; F299-I322 HydrophobicContact CE2-CD1 3.5Å; F299-I322 HydrophobicContact CG-CD1 3.49Å; F299-I322 VanDerWaalsContact CG-CD1 3.49Å; F299-I322 HydrophobicContact CZ-CD1 3.75Å; V310-I322 HydrophobicContact CG1-CG2 3.78Å; V310-I322 HydrophobicContact CG2-CG2 4.21Å; V313-I322 HydrophobicContact CG2-CG1 4.45Å; V313-I322 HydrophobicContact CG2-CG2 4.5Å; I322-F324 HydrophobicContact CB-CE2 4.18Å; I322-F324 HydrophobicContact CG2-CD2 4.21Å; I322-F324 HydrophobicContact CG2-CE2 3.51Å; I322-F324 HydrophobicContact CG2-CZ 3.92Å
323H94.2Very high92.8Very high47 Ų4751.5 Ų51.522%0.21824%0.238CC..EExtended strand (participates in β ladder)trans-100.3122.5-173.6-52.864.9000108.7I280 E311 R312I280-H323 HydrophobicContact CG1-CB 4.49Å; E311-H323 HydrophobicContact CB-CB 4.43Å; E311-H323 PolarHBondContact N-O 3.32Å; R312-H323 HydrophobicContact CB-CB 4.16Å; R312-H323 PolarHBondContact N-O 3.48Å; R312-H323 PolarHBondContact O-N 3.06Å; R312-H323 PolarHBondContact O-ND1 3.47Å
324F94.6Very high92.7Very high5 Ų552.1 Ų52.12%0.02224%0.241CC..EExtended strand (participates in β ladder)trans-105.7148.8177.4-71-95.9000111.6K279 L281 F299 A303 S309 V310 I322 E326 Q329 A330 C333K279-F324 WeakPolarHBondContact CB-O 3.38Å; K279-F324 PolarHBondContact O-N 3.33Å; L281-F324 HydrophobicContact CD1-CD2 4.4Å; L281-F324 HydrophobicContact CD1-CE2 3.6Å; L281-F324 HydrophobicContact CD1-CZ 4.23Å; L281-F324 HydrophobicContact CG-CD2 4.29Å; L281-F324 HydrophobicContact CG-CE2 3.89Å; F299-F324 HydrophobicContact CB-CZ 4.28Å; F299-F324 HydrophobicContact CD1-CE2 4.44Å; F299-F324 HydrophobicContact CD1-CZ 4.01Å; A303-F324 HydrophobicContact CB-CE1 4.24Å; S309-F324 WeakPolarHBondContact O-CA 3.42Å; V310-F324 HydrophobicContact CG2-CD1 4.37Å; V310-F324 HydrophobicContact CG2-CE1 3.8Å; V310-F324 HydrophobicContact CG2-CZ 4.06Å; I322-F324 HydrophobicContact CB-CE2 4.18Å; I322-F324 HydrophobicContact CG2-CD2 4.21Å; I322-F324 HydrophobicContact CG2-CE2 3.51Å; I322-F324 HydrophobicContact CG2-CZ 3.92Å; F324-E326 VanDerWaalsContact C-N 3.28Å; F324-E326 VanDerWaalsContact CB-O 3.3Å; F324-E326 WeakPolarHBondContact CB-O 3.29Å; F324-E326 PolarHBondContact O-N 3.31Å; F324-Q329 HydrophobicContact CD1-CB 3.97Å; F324-A330 HydrophobicContact CB-CB 3.99Å; F324-A330 HydrophobicContact CD2-CB 3.61Å; F324-A330 HydrophobicContact CE2-CB 4.23Å; F324-A330 HydrophobicContact CG-CB 3.78Å; F324-C333 HydrophobicContact CE1-CB 4.43Å; F324-C333 HydrophobicContact CZ-CB 3.88Å; F324-C333 VanDerWaalsContact CZ-SG 3.57Å
325R92.4Very high92.7Very high128 Ų12854 Ų5448%0.48325%0.251SS..SBendtrans-67.4-30.9172.3-62.7-168.9-172.6174.611.9112.6K279 N308 S309 E311K279-R325 WeakPolarHBondContact CD-O 3.43Å; K279-R325 WeakPolarHBondContact CE-O 3.46Å; K279-R325 PolarHBondContact NZ-O 2.96Å; N308-R325 WeakPolarHBondContact O-CD 3.37Å; N308-R325 PolarHBondContact O-NE 2.68Å; N308-R325 PolarHBondContact OD1-NH1 2.95Å; N308-R325 PolarHBondContact OD1-NH2 2.79Å; S309-R325 PolarHBondContact O-N 3.43Å; E311-R325 HydrophobicContact CB-CG 4.49Å
326E92.4Very high92.6Very high96 Ų9655.8 Ų55.845%0.44927%0.265SS..  trans-127.2151.2-175.3-71.6178.5177.200111F324 Q329F324-E326 VanDerWaalsContact C-N 3.28Å; F324-E326 VanDerWaalsContact CB-O 3.3Å; F324-E326 WeakPolarHBondContact CB-O 3.29Å; F324-E326 PolarHBondContact O-N 3.31Å; E326-Q329 HydrophobicContact CB-CB 4.45Å; E326-Q329 HydrophobicContact CB-CG 3.93Å; E326-Q329 PolarHBondContact OE2-NE2 2.88Å
327R92.1Very high92.7Very high60 Ų6053.6 Ų53.623%0.22625%0.254CS..Hα-helixtrans-78.8-30.2-179.2178.5176.4172.988.8-8.1111M275 S276 V278 K279 A330 L331 W351M275-R327 PolarHBondContact O-NH1 2.93Å; M275-R327 PolarHBondContact O-NH2 2.91Å; S276-R327 WeakPolarHBondContact O-CD 3.38Å; S276-R327 PolarHBondContact O-NE 2.92Å; S276-R327 VanDerWaalsContact O-NE 3.11Å; S276-R327 PolarHBondContact O-NH1 2.98Å; V278-R327 PolarHBondContact O-NH1 3.37Å; K279-R327 HydrophobicContact CG-CB 4.25Å; R327-A330 CarbonylContact O-C 3.6Å; R327-A330 WeakPolarHBondContact O-CB 3.35Å; R327-A330 PolarHBondContact O-N 3.26Å; R327-L331 WeakPolarHBondContact O-CB 3.23Å; R327-L331 PolarHBondContact O-N 3.4Å; R327-W351 HydrophobicContact CG-CH2 3.89Å
328E92Very high92.9Very high120 Ų12053.7 Ų53.756%0.56125%0.25SS*.Hα-helixtrans-64.5-48.2-176-62.858.1-129.900109.2A330 L331 Q332E328-A330 PolarHBondContact O-N 3.25Å; E328-L331 PolarHBondContact O-N 3.37Å; E328-Q332 WeakPolarHBondContact O-CB 3.36Å; E328-Q332 PolarHBondContact O-N 2.83Å
329Q92.5Very high93Very high30 Ų3055.7 Ų55.714%0.1426%0.261CS..Hα-helixtrans-62.4-40.8173.8-56.4178.912.500111.9S309 F324 E326 C333S309-Q329 PolarHBondContact OG-OE1 3.47Å; F324-Q329 HydrophobicContact CD1-CB 3.97Å; E326-Q329 HydrophobicContact CB-CB 4.45Å; E326-Q329 HydrophobicContact CB-CG 3.93Å; E326-Q329 PolarHBondContact OE2-NE2 2.88Å; Q329-C333 WeakPolarHBondContact O-CB 3.48Å; Q329-C333 PolarHBondContact O-N 3.25Å; Q329-C333 PolarHBondContact O-SG 3.34Å
330A92.9Very high93Very high0 Ų054.4 Ų54.40%026%0.26CS..Hα-helixtrans-66.7-40175.300000112.4L281 F324 R327 E328 C333 L334 W351L281-A330 WeakPolarHBondContact CD1-O 3.17Å; L281-A330 HydrophobicContact CD2-CB 4.2Å; L281-A330 HydrophobicContact CG-CB 4.22Å; F324-A330 HydrophobicContact CB-CB 3.99Å; F324-A330 HydrophobicContact CD2-CB 3.61Å; F324-A330 HydrophobicContact CE2-CB 4.23Å; F324-A330 HydrophobicContact CG-CB 3.78Å; R327-A330 CarbonylContact O-C 3.6Å; R327-A330 WeakPolarHBondContact O-CB 3.35Å; R327-A330 PolarHBondContact O-N 3.26Å; E328-A330 PolarHBondContact O-N 3.25Å; A330-C333 PolarHBondContact O-N 2.84Å; A330-L334 WeakPolarHBondContact O-CB 3.48Å; A330-L334 PolarHBondContact O-N 2.75Å; A330-W351 HydrophobicContact CB-CH2 3.76Å; A330-W351 HydrophobicContact CB-CZ3 3.7Å
331L93.3Very high92.7Very high69 Ų6962.2 Ų62.236%0.36129%0.291SS..Hα-helixtrans-65.4-43.8176.7179.465.4000111.3R327 E328 L334 H335 W351R327-L331 WeakPolarHBondContact O-CB 3.23Å; R327-L331 PolarHBondContact O-N 3.4Å; E328-L331 PolarHBondContact O-N 3.37Å; L331-L334 PolarHBondContact O-N 3.45Å; L331-H335 PolarHBondContact O-N 3.17Å; L331-W351 HydrophobicContact CB-CH2 4.29Å; L331-W351 HydrophobicContact CB-CZ2 4.11Å; L331-W351 HydrophobicContact CD1-CZ2 4.04Å
332Q92.7Very high92.4Very high96 Ų9660 Ų6045%0.44928%0.282SS..Hα-helixtrans-59.9-44.8173.5178.6175.5-18.200111.4A302 E328 H335 T336A302-Q332 PolarHBondContact O-NE2 2.92Å; A302-Q332 VanDerWaalsContact O-NE2 3.09Å; E328-Q332 WeakPolarHBondContact O-CB 3.36Å; E328-Q332 PolarHBondContact O-N 2.83Å; Q332-H335 PolarHBondContact O-N 2.79Å; Q332-T336 WeakPolarHBondContact O-CB 3.36Å; Q332-T336 PolarHBondContact O-N 2.9Å; Q332-T336 PolarHBondContact O-OG1 2.93Å
333C93.1Very high91.9Very high0 Ų063.8 Ų63.80%030%0.302CS..Hα-helixtrans-64.1-39.5175-70.40000112.6L281 F299 F324 Q329 A330 T336 L337L281-C333 HydrophobicContact CD1-CB 3.83Å; F299-C333 HydrophobicContact CD1-CB 3.98Å; F299-C333 HydrophobicContact CE1-CB 4.38Å; F299-C333 PolarHBondContact O-SG 2.62Å; F324-C333 HydrophobicContact CE1-CB 4.43Å; F324-C333 HydrophobicContact CZ-CB 3.88Å; F324-C333 VanDerWaalsContact CZ-SG 3.57Å; Q329-C333 WeakPolarHBondContact O-CB 3.48Å; Q329-C333 PolarHBondContact O-N 3.25Å; Q329-C333 PolarHBondContact O-SG 3.34Å; A330-C333 PolarHBondContact O-N 2.84Å; C333-T336 PolarHBondContact O-N 3.32Å; C333-L337 VanDerWaalsContact O-CB 3.31Å; C333-L337 WeakPolarHBondContact O-CB 3.25Å; C333-L337 PolarHBondContact O-N 3.38Å
334L93.7Very high91.4Very high26 Ų2664.8 Ų64.814%0.13632%0.324CS..Hα-helixtrans-60.4-50.3176.9-168.1161.9000110.6L281 A330 L331 T336 N338 V349 W351L281-L334 HydrophobicContact CD1-CB 4.48Å; L281-L334 HydrophobicContact CD2-CB 4.12Å; L281-L334 HydrophobicContact CD2-CD1 3.97Å; L281-L334 HydrophobicContact CD2-CG 4.43Å; A330-L334 WeakPolarHBondContact O-CB 3.48Å; A330-L334 PolarHBondContact O-N 2.75Å; L331-L334 PolarHBondContact O-N 3.45Å; L334-T336 VanDerWaalsContact C-N 3.32Å; L334-T336 PolarHBondContact O-N 2.72Å; L334-N338 WeakPolarHBondContact O-CB 3.47Å; L334-N338 PolarHBondContact O-N 2.85Å; L334-N338 VanDerWaalsContact O-N 3.11Å; L334-V349 HydrophobicContact CB-CG1 4.41Å; L334-V349 HydrophobicContact CG-CG1 4.29Å; L334-W351 HydrophobicContact CD1-CD2 3.98Å; L334-W351 HydrophobicContact CD1-CG 4.03Å; L334-W351 HydrophobicContact CD1-CZ2 4.23Å
335H92.7Very high91Very high140 Ų14065 Ų6565%0.64833%0.326SS*.Hα-helixtrans-67.5-29.6178.4-67.5176.4000113.5L331 Q332L331-H335 PolarHBondContact O-N 3.17Å; Q332-H335 PolarHBondContact O-N 2.79Å
336T92.2Very high90.9Very high75 Ų7562.7 Ų62.746%0.4632%0.32SS..Hα-helixtrans-89.1-31.4-174.6-57.30000113.4A302 Q332 C333 L334 T340A302-T336 HydrophobicContact CB-CG2 4.06Å; Q332-T336 WeakPolarHBondContact O-CB 3.36Å; Q332-T336 PolarHBondContact O-N 2.9Å; Q332-T336 PolarHBondContact O-OG1 2.93Å; C333-T336 PolarHBondContact O-N 3.32Å; L334-T336 VanDerWaalsContact C-N 3.32Å; L334-T336 PolarHBondContact O-N 2.72Å; T336-T340 VanDerWaalsContact O-CG2 3.27Å; T336-T340 WeakPolarHBondContact O-CG2 3.42Å
337L92.1Very high90.9Very high21 Ų2158.1 Ų58.111%0.1130%0.299CS..Hα-helixtrans-111.1-13.7-173.4-66175.9000114.4F299 A302 C333 D339 T340 I347 V349F299-L337 HydrophobicContact CB-CD1 4.27Å; F299-L337 HydrophobicContact CD1-CD1 3.45Å; F299-L337 VanDerWaalsContact CD1-CD1 3.45Å; F299-L337 HydrophobicContact CD2-CD1 3.64Å; F299-L337 HydrophobicContact CE1-CB 4.25Å; F299-L337 HydrophobicContact CE1-CD1 3.52Å; F299-L337 HydrophobicContact CE2-CD1 3.71Å; F299-L337 HydrophobicContact CG-CD1 3.52Å; F299-L337 HydrophobicContact CZ-CB 4.15Å; F299-L337 HydrophobicContact CZ-CD1 3.65Å; A302-L337 HydrophobicContact CB-CD1 3.48Å; A302-L337 VanDerWaalsContact CB-CD1 3.48Å; A302-L337 HydrophobicContact CB-CD2 4.12Å; A302-L337 HydrophobicContact CB-CG 3.64Å; C333-L337 VanDerWaalsContact O-CB 3.31Å; C333-L337 WeakPolarHBondContact O-CB 3.25Å; C333-L337 PolarHBondContact O-N 3.38Å; L337-D339 PolarHBondContact O-N 2.84Å; L337-T340 HydrophobicContact CD2-CG2 4.47Å; L337-T340 PolarHBondContact O-N 2.81Å; L337-T340 PolarHBondContact O-OG1 2.88Å; L337-I347 HydrophobicContact CB-CD1 4.39Å; L337-I347 WeakPolarHBondContact O-CD1 3.16Å; L337-I347 WeakPolarHBondContact O-CG1 3.23Å; L337-V349 HydrophobicContact CB-CG2 4.24Å
338N91.8Very high90.9Very high55 Ų5557.9 Ų57.929%0.29430%0.3SS..THydrogen-bonded Turntrans-59.6140.7168.8-176.657.1000110.6L334 T340 E348 V349L334-N338 WeakPolarHBondContact O-CB 3.47Å; L334-N338 PolarHBondContact O-N 2.85Å; L334-N338 VanDerWaalsContact O-N 3.11Å; N338-T340 PolarHBondContact O-N 2.75Å; N338-T340 VanDerWaalsContact O-N 3.11Å; N338-E348 WeakPolarHBondContact OD1-CA 3.12Å; N338-V349 HydrophobicContact CB-CB 4.07Å; N338-V349 PolarHBondContact OD1-N 3.34Å
339D89.7Confident91Very high73 Ų7352.3 Ų52.339%0.3928%0.275SS..THydrogen-bonded Turntrans61.97.8-177.8-70.1-62.1000116.3L337 K346 I347L337-D339 PolarHBondContact O-N 2.84Å; D339-K346 VanDerWaalsContact O-CE 3.22Å; D339-K346 WeakPolarHBondContact O-CE 3.36Å; D339-K346 WeakPolarHBondContact O-CG 3.46Å; D339-K346 WeakPolarHBondContact OD1-CE 3.48Å; D339-K346 IonicContact OD1-NZ 2.94Å; D339-K346 PolarHBondContact OD1-NZ 3.09Å; D339-I347 VanDerWaalsContact CA-O 3.27Å; D339-I347 WeakPolarHBondContact CA-O 3.45Å; D339-I347 PolarHBondContact N-O 3.45Å
340T92.2Very high91.1Very high41 Ų4153.8 Ų53.825%0.25229%0.286SS..  trans-80.1170.7174.8660000113.1T336 L337 N338 K346 I347T336-T340 VanDerWaalsContact O-CG2 3.27Å; T336-T340 WeakPolarHBondContact O-CG2 3.42Å; L337-T340 HydrophobicContact CD2-CG2 4.47Å; L337-T340 PolarHBondContact O-N 2.81Å; L337-T340 PolarHBondContact O-OG1 2.88Å; N338-T340 PolarHBondContact O-N 2.75Å; N338-T340 VanDerWaalsContact O-N 3.11Å; T340-K346 CarbonylContact O-C 3.6Å; T340-K346 VanDerWaalsContact O-CA 3.32Å; T340-K346 WeakPolarHBondContact O-CA 3.44Å; T340-I347 WeakPolarHBondContact O-CG1 3.49Å; T340-I347 PolarHBondContact O-N 3.02Å
341Y90.5Very high91.1Very high164 Ų16456.1 Ų56.164%0.64329%0.294SS*.EExtended strand (participates in β ladder)trans-108.3123.3179.1-72.4-99.8000112S345 K346Y341-S345 CarbonylContact C-O 3.53Å; Y341-S345 VanDerWaalsContact CA-O 3.32Å; Y341-S345 WeakPolarHBondContact CA-O 3.46Å; Y341-K346 HydrophobicContact CD1-CB 4.13Å; Y341-K346 HydrophobicContact CD2-CG 4.48Å; Y341-K346 HydrophobicContact CE1-CB 3.74Å; Y341-K346 HydrophobicContact CE1-CG 4.33Å; Y341-K346 HydrophobicContact CE2-CB 4.38Å; Y341-K346 HydrophobicContact CE2-CG 4.06Å
342I88.7Confident91.1Very high15 Ų1553.2 Ų53.28%0.07728%0.28CS..EExtended strand (participates in β ladder)trans-118.5131.5169.6-58-172.2000108.2T290 L295 F299 G344 S345 I347T290-I342 HydrophobicContact CG2-CG2 3.95Å; L295-I342 HydrophobicContact CD2-CD1 4.28Å; F299-I342 HydrophobicContact CE2-CD1 4.48Å; I342-G344 PolarHBondContact O-N 2.93Å; I342-S345 PolarHBondContact N-O 3.17Å; I342-S345 PolarHBondContact O-N 3.16Å; I342-I347 HydrophobicContact CB-CG2 3.97Å; I342-I347 HydrophobicContact CD1-CD1 3.65Å; I342-I347 HydrophobicContact CD1-CG1 4.42Å; I342-I347 HydrophobicContact CD1-CG2 4.37Å; I342-I347 HydrophobicContact CG1-CD1 4.06Å; I342-I347 HydrophobicContact CG1-CG1 4.32Å; I342-I347 HydrophobicContact CG1-CG2 4.1Å
343D84.8Confident91Very high79 Ų7953 Ų5342%0.42228%0.278SS..THydrogen-bonded Turntrans52.221.3-173.1-56.7-24.6000115.2M287 T290M287-D343 HydrophobicContact CG-CB 4.29Å; M287-D343 HydrophobicContact SD-CB 3.81Å; T290-D343 WeakPolarHBondContact CA-OD2 3.35Å; T290-D343 WeakPolarHBondContact CB-OD2 3.39Å; T290-D343 WeakPolarHBondContact CG2-OD2 3.44Å; T290-D343 PolarHBondContact N-OD2 2.88Å; T290-D343 PolarHBondContact OG1-OD2 2.84Å
344G83.5Confident90.6Very high67 Ų6755.9 Ų55.969%0.69130%0.296SS*.THydrogen-bonded Turntrans846-173.400000114.7I342I342-G344 PolarHBondContact O-N 2.93Å
345S85.6Confident89.9Confident9 Ų959.3 Ų59.36%0.06332%0.319CS..EExtended strand (participates in β ladder)trans-101.5131.6168.9-70.40000111.9K223 N285 M287 Y341 I342 I347K223-S345 WeakPolarHBondContact CD-OG 3.4Å; K223-S345 WeakPolarHBondContact CE-OG 3.48Å; K223-S345 VanDerWaalsContact NZ-CB 3.28Å; K223-S345 PolarHBondContact NZ-OG 2.92Å; N285-S345 WeakPolarHBondContact O-CB 3.43Å; M287-S345 WeakPolarHBondContact CG-OG 3.48Å; M287-S345 PolarHBondContact SD-OG 3.43Å; Y341-S345 CarbonylContact C-O 3.53Å; Y341-S345 VanDerWaalsContact CA-O 3.32Å; Y341-S345 WeakPolarHBondContact CA-O 3.46Å; I342-S345 PolarHBondContact N-O 3.17Å; I342-S345 PolarHBondContact O-N 3.16Å; S345-I347 PolarHBondContact O-N 3.14Å
346K89.7Confident88.7Confident80 Ų8056.5 Ų56.535%0.34831%0.308SS..EExtended strand (participates in β ladder)trans-68.9110.4171.9-159.8-164.2-167.3-154.90109.9N285 D339 T340 Y341N285-K346 PolarHBondContact ND2-O 3.27Å; D339-K346 VanDerWaalsContact O-CE 3.22Å; D339-K346 WeakPolarHBondContact O-CE 3.36Å; D339-K346 WeakPolarHBondContact O-CG 3.46Å; D339-K346 WeakPolarHBondContact OD1-CE 3.48Å; D339-K346 IonicContact OD1-NZ 2.94Å; D339-K346 PolarHBondContact OD1-NZ 3.09Å; T340-K346 CarbonylContact O-C 3.6Å; T340-K346 VanDerWaalsContact O-CA 3.32Å; T340-K346 WeakPolarHBondContact O-CA 3.44Å; Y341-K346 HydrophobicContact CD1-CB 4.13Å; Y341-K346 HydrophobicContact CD2-CG 4.48Å; Y341-K346 HydrophobicContact CE1-CB 3.74Å; Y341-K346 HydrophobicContact CE1-CG 4.33Å; Y341-K346 HydrophobicContact CE2-CB 4.38Å; Y341-K346 HydrophobicContact CE2-CG 4.06Å
347I92.6Very high87.3Confident1 Ų161 Ų611%0.00532%0.322CS..  trans-84.9153.717866.2155000110.7V283 L286 F299 L337 D339 T340 I342 S345 V349V283-I347 HydrophobicContact CG1-CB 4.23Å; V283-I347 HydrophobicContact CG1-CD1 3.99Å; L286-I347 HydrophobicContact CD2-CG2 3.69Å; F299-I347 HydrophobicContact CE2-CD1 4.4Å; F299-I347 HydrophobicContact CZ-CD1 4.29Å; L337-I347 HydrophobicContact CB-CD1 4.39Å; L337-I347 WeakPolarHBondContact O-CD1 3.16Å; L337-I347 WeakPolarHBondContact O-CG1 3.23Å; D339-I347 VanDerWaalsContact CA-O 3.27Å; D339-I347 WeakPolarHBondContact CA-O 3.45Å; D339-I347 PolarHBondContact N-O 3.45Å; T340-I347 WeakPolarHBondContact O-CG1 3.49Å; T340-I347 PolarHBondContact O-N 3.02Å; I342-I347 HydrophobicContact CB-CG2 3.97Å; I342-I347 HydrophobicContact CD1-CD1 3.65Å; I342-I347 HydrophobicContact CD1-CG1 4.42Å; I342-I347 HydrophobicContact CD1-CG2 4.37Å; I342-I347 HydrophobicContact CG1-CD1 4.06Å; I342-I347 HydrophobicContact CG1-CG1 4.32Å; I342-I347 HydrophobicContact CG1-CG2 4.1Å; S345-I347 PolarHBondContact O-N 3.14Å; I347-V349 HydrophobicContact CD1-CG2 3.86Å
348E92.2Very high85.7Confident55 Ų5566 Ų6626%0.25735%0.348SS..EExtended strand (participates in β ladder)trans-126.5135.1173.5-65.1169-14300108.5V283 R284 N338V283-E348 WeakPolarHBondContact CA-O 3.41Å; R284-E348 HydrophobicContact CG-CB 3.81Å; R284-E348 IonicContact CZ-OE2 3.66Å; R284-E348 PolarHBondContact N-O 2.78Å; R284-E348 IonicContact NE-OE2 2.6Å; R284-E348 PolarHBondContact NE-OE2 3.36Å; R284-E348 IonicContact NH2-OE2 2.79Å; R284-E348 PolarHBondContact NH2-OE2 3.18Å; R284-E348 PolarHBondContact O-N 2.73Å; N338-E348 WeakPolarHBondContact OD1-CA 3.12Å
349V94.8Very high83.9Confident3 Ų366.9 Ų66.92%0.01835%0.351CS..EExtended strand (participates in β ladder)trans-124.8118.9-170.4-174.90000109.4L281 V283 F299 L334 L337 N338 I347L281-V349 HydrophobicContact CB-CG1 4.13Å; L281-V349 HydrophobicContact CD1-CG1 3.81Å; L281-V349 HydrophobicContact CD2-CG1 4.46Å; L281-V349 HydrophobicContact CG-CG1 4.36Å; V283-V349 HydrophobicContact CG1-CG2 4.23Å; V283-V349 HydrophobicContact CG2-CG1 4.43Å; V283-V349 HydrophobicContact CG2-CG2 4.34Å; F299-V349 HydrophobicContact CE1-CG1 4.26Å; F299-V349 HydrophobicContact CE1-CG2 4.4Å; F299-V349 HydrophobicContact CZ-CG2 3.98Å; L334-V349 HydrophobicContact CB-CG1 4.41Å; L334-V349 HydrophobicContact CG-CG1 4.29Å; L337-V349 HydrophobicContact CB-CG2 4.24Å; N338-V349 HydrophobicContact CB-CB 4.07Å; N338-V349 PolarHBondContact OD1-N 3.34Å; I347-V349 HydrophobicContact CD1-CG2 3.86Å
350T93.8Very high82Confident61 Ų6167.4 Ų67.437%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-128165.817869.50000110.7L281 Y282 A352L281-T350 WeakPolarHBondContact CA-O 3.27Å; Y282-T350 PolarHBondContact N-O 2.94Å; Y282-T350 PolarHBondContact O-N 2.79Å; T350-A352 PolarHBondContact O-N 2.83Å
351W94.2Very high79.4Confident48 Ų4871.2 Ų71.218%0.18237%0.372CS..EExtended strand (participates in β ladder)trans-60.8137164.4-66.6110.6000110.2M275 V278 L281 R327 A330 L331 L334M275-W351 HydrophobicContact CE-CB 3.77Å; V278-W351 HydrophobicContact CB-CE3 4.35Å; V278-W351 HydrophobicContact CG1-CE3 3.89Å; V278-W351 WeakPolarHBondContact O-CZ3 3.4Å; L281-W351 HydrophobicContact CD2-CD2 4.27Å; L281-W351 HydrophobicContact CD2-CE3 3.73Å; L281-W351 HydrophobicContact CD2-CH2 4.37Å; L281-W351 HydrophobicContact CD2-CZ3 3.8Å; R327-W351 HydrophobicContact CG-CH2 3.89Å; A330-W351 HydrophobicContact CB-CH2 3.76Å; A330-W351 HydrophobicContact CB-CZ3 3.7Å; L331-W351 HydrophobicContact CB-CH2 4.29Å; L331-W351 HydrophobicContact CB-CZ2 4.11Å; L331-W351 HydrophobicContact CD1-CZ2 4.04Å; L334-W351 HydrophobicContact CD1-CD2 3.98Å; L334-W351 HydrophobicContact CD1-CG 4.03Å; L334-W351 HydrophobicContact CD1-CZ2 4.23Å
352A93Very high77.3Confident8 Ų869 Ų697%0.06638%0.375CS..PPolyproline II helixtrans-74.9125.2173.600000109.8I280 F321 T350I280-A352 HydrophobicContact CB-CB 4Å; I280-A352 HydrophobicContact CG2-CB 3.73Å; I280-A352 WeakPolarHBondContact O-CB 3.29Å; I280-A352 PolarHBondContact O-N 2.81Å; F321-A352 HydrophobicContact CD1-CB 3.93Å; F321-A352 HydrophobicContact CE1-CB 4.09Å; T350-A352 PolarHBondContact O-N 2.83Å
353K89.6Confident75Confident92 Ų9276.4 Ų76.440%0.440%0.402SS..PPolyproline II helixtrans-65.6128.2172.9-67.7-170.7171.7-177.40109E267 R268E267-K353 IonicContact OE1-NZ 3.29Å; E267-K353 PolarHBondContact OE1-NZ 2.86Å; R268-K353 PolarHBondContact O-NZ 2.81Å
354P85.2Confident72.7Confident60 Ų6079.6 Ų79.639%0.3942%0.415SS..PPolyproline II helixtrans-63.9143.4176.628-34.9000110.1V270 I274V270-P354 HydrophobicContact CG1-CG 3.76Å; I274-P354 HydrophobicContact CG2-CG 3.86Å
355V79.8Confident70.1Confident99 Ų9984.1 Ų84.160%0.642%0.418SS*.PPolyproline II helixtrans-95.2121.2177.3-175.10000108.4K357 L360V355-K357 PolarHBondContact O-N 2.74Å; V355-L360 HydrophobicContact CG1-CD1 3.74Å; V355-L360 HydrophobicContact CG1-CG 4Å
356D67.5Low67.3Low80 Ų8089.1 Ų89.143%0.42845%0.45SS..PPolyproline II helixtrans-65.4130.4168.7-166.1-27.6000109.2N358 E359D356-N358 VanDerWaalsContact C-N 3.26Å; D356-N358 PolarHBondContact O-N 3.48Å; D356-N358 WeakPolarHBondContact OD1-CB 3.43Å; D356-N358 PolarHBondContact OD1-N 3.31Å; D356-E359 HydrophobicContact CB-CG 4.49Å
357K62Low64.4Low171 Ų17190.3 Ų90.374%0.74347%0.469SS*.THydrogen-bonded Turntrans-70.5-24.5179.8-66.5-179.2-179.7176.70112.1V355V355-K357 PolarHBondContact O-N 2.74Å
358N58.3Low61.4Low126 Ų126101.8 Ų101.867%0.67451%0.512SS*.THydrogen-bonded Turntrans-70.9-37.4-176.3-64.8-22000111.9D356D356-N358 VanDerWaalsContact C-N 3.26Å; D356-N358 PolarHBondContact O-N 3.48Å; D356-N358 WeakPolarHBondContact OD1-CB 3.43Å; D356-N358 PolarHBondContact OD1-N 3.31Å
359E54.6Low58.6Low73 Ų73104.2 Ų104.234%0.34153%0.53SS..THydrogen-bonded Turntrans-81.5-15.3-177.5-58.5-179.887.900114.1R268 D356 N361 T362 R363R268-E359 IonicContact CZ-OE1 2.79Å; R268-E359 IonicContact CZ-OE2 2.97Å; R268-E359 VanDerWaalsContact NH1-CD 3.34Å; R268-E359 IonicContact NH1-OE1 3Å; R268-E359 PolarHBondContact NH1-OE1 2.9Å; R268-E359 IonicContact NH1-OE2 3.72Å; R268-E359 PolarHBondContact NH1-OE2 2.91Å; R268-E359 VanDerWaalsContact NH2-CD 3.32Å; R268-E359 IonicContact NH2-OE1 3.69Å; R268-E359 PolarHBondContact NH2-OE1 3.36Å; R268-E359 IonicContact NH2-OE2 2.83Å; R268-E359 PolarHBondContact NH2-OE2 2.83Å; D356-E359 HydrophobicContact CB-CG 4.49Å; E359-N361 PolarHBondContact O-N 3.12Å; E359-T362 PolarHBondContact O-N 3.23Å; E359-T362 VanDerWaalsContact O-N 3.16Å; E359-R363 PolarHBondContact O-N 3.26Å
360L49.2Very low55.4Low84 Ų84110.7 Ų110.744%0.4457%0.573SS.*THydrogen-bonded Turntrans-62.9-21.4178.3-99.6163000113V355 Q364V355-L360 HydrophobicContact CG1-CD1 3.74Å; V355-L360 HydrophobicContact CG1-CG 4Å; L360-Q364 PolarHBondContact O-NE2 2.99Å
361N37.5Very low52.4Low120 Ų120111.7 Ų111.764%0.64260%0.595SS**THydrogen-bonded Turntrans-75.5-42.6173.9-69.7-22.4000111.8E359 R363 Q364E359-N361 PolarHBondContact O-N 3.12Å; N361-R363 PolarHBondContact O-N 3.35Å; N361-Q364 PolarHBondContact O-N 3.39Å
362T46.5Very low49.4Very low117 Ų117120 Ų12072%0.71863%0.626SS**G310 helixtrans-66-37.3-176.7-370000112.2E359 Q364E359-T362 PolarHBondContact O-N 3.23Å; E359-T362 VanDerWaalsContact O-N 3.16Å; T362-Q364 VanDerWaalsContact C-N 3.27Å; T362-Q364 PolarHBondContact O-N 3.23Å
363R39.8Very low46.4Very low172 Ų172127.3 Ų127.365%0.64966%0.663SS**G310 helixtrans-75-4.6-179.5-104.2-174.6175.1-155-1.8115.5E265 E359 N361E265-R363 IonicContact OE1-CZ 3.42Å; E265-R363 IonicContact OE1-NH2 2.85Å; E265-R363 PolarHBondContact OE1-NH2 3.47Å; E265-R363 IonicContact OE2-NH2 3.25Å; E265-R363 PolarHBondContact OE2-NH2 3.43Å; E359-R363 PolarHBondContact O-N 3.26Å; N361-R363 PolarHBondContact O-N 3.35Å
364Q36.4Very low43.8Very low145 Ų145129.5 Ų129.568%0.67868%0.678SS**G310 helixtrans-97.8-5-177.7-76.1-178.489.500114.8L360 N361 T362 P366L360-Q364 PolarHBondContact O-NE2 2.99Å; N361-Q364 PolarHBondContact O-N 3.39Å; T362-Q364 VanDerWaalsContact C-N 3.27Å; T362-Q364 PolarHBondContact O-N 3.23Å; Q364-P366 WeakPolarHBondContact O-CD 3.37Å
365Q28.9Very low41.4Very low163 Ų163133.6 Ų133.676%0.76270%0.696SS**SBendtrans-92118.4167.4-67.8-154.63400111.2S367Q365-S367 PolarHBondContact O-N 2.87Å
366P27.7Very low39.1Very low114 Ų114137 Ų13774%0.7471%0.705SS**  trans-78.287.5174.131.8-33.6000110.2Q364 R368Q364-P366 WeakPolarHBondContact O-CD 3.37Å; P366-R368 PolarHBondContact O-N 3.16Å
367S29.3Very low37.5Very low105 Ų105140.8 Ų140.873%0.73473%0.725SS**  trans-66.185.1-17945.60000112.7Q365 T369Q365-S367 PolarHBondContact O-N 2.87Å; S367-T369 PolarHBondContact O-N 3.21Å
368R30.1Very low36.2Very low242 Ų242138.2 Ų138.291%0.91372%0.723SS**  trans-70.747.3177.3-77.2180156.4-175-4.6114.2P366P366-R368 PolarHBondContact O-N 3.16Å
369T31.4Very low35Very low105 Ų105137.7 Ų137.764%0.64472%0.72SS**  trans-150.1106.817345.80000111.5S367S367-T369 PolarHBondContact O-N 3.21Å
370P28Very low34Very low140 Ų140138.6 Ų138.691%0.90973%0.734SS**THydrogen-bonded Turntrans-72.9127.3162.930.7-30.8000109.2
371G31.1Very low33.2Very low81 Ų81142.5 Ų142.584%0.83576%0.756SS**THydrogen-bonded Turntrans1307.3171.200000118
372R32.3Very low33.2Very low224 Ų224143.6 Ų143.685%0.84576%0.762SS**  trans-137.768.2179.2-148.7179.1-161.1-168.45.3114.2
373L29.3Very low32.7Very low160 Ų160147.3 Ų147.384%0.83877%0.771SS**  trans-129.279.1160.6-79.4179.8000109.7
374I35.3Very low32.4Very low139 Ų139146 Ų14671%0.71378%0.777SS**SBendtrans-133.7136.6161.7-38.4175.2000104.4
375N33.7Very low32.3Very low145 Ų145146.9 Ų146.978%0.77578%0.783SS**SBendtrans7137.2177.9-56.5-14.2000118.7
376E33.1Very low32.4Very low170 Ų170147.7 Ų147.779%0.79479%0.79SS**  trans-127.870.2154.7-80.1-158.4134.100112.4
377L33.3Very low32.4Very low160 Ų160145.9 Ų145.984%0.83879%0.785SS**  trans-128.461.6154.1-79.8178.9000108.9L379L377-L379 PolarHBondContact O-N 2.62Å
378V34.2Very low32.5Very low117 Ų117146.1 Ų146.171%0.70979%0.794SS**  trans-84.992.3168.3179.70000107.9S380V378-S380 VanDerWaalsContact C-N 3.3Å; V378-S380 PolarHBondContact O-N 3.43Å
379L33.2Very low32.4Very low115 Ų115138.9 Ų138.960%0.60279%0.785SS**  trans-71.287.9164.3-78.1166.9000109L377L377-L379 PolarHBondContact O-N 2.62Å
380S33Very low32.3Very low92 Ų92140.6 Ų140.664%0.64380%0.796SS**  trans-113.175.5169.761.10000110.4V378 D382V378-S380 VanDerWaalsContact C-N 3.3Å; V378-S380 PolarHBondContact O-N 3.43Å; S380-D382 PolarHBondContact O-N 2.64Å
381N34.1Very low32.4Very low166 Ų166138.2 Ų138.289%0.88879%0.788SS**  trans-69.5104152.4-103.913.1000106.8
382D36.7Very low32.4Very low144 Ų144140.4 Ų140.477%0.7779%0.785SS**  trans-150110.6160.1-114.5-39.4000110.9S380 N384S380-D382 PolarHBondContact O-N 2.64Å; D382-N384 VanDerWaalsContact C-N 3.32Å; D382-N384 PolarHBondContact O-N 3.42Å
383Q35.3Very low32.3Very low195 Ų195136 Ų13691%0.91178%0.783SS**  trans-90.367.5175.9-72178.7-90.200110.1
384N34.4Very low32.3Very low144 Ų144133.1 Ų133.177%0.7778%0.782SS**  trans-155.2114.5165.4-96.1-43.1000111.9D382D382-N384 VanDerWaalsContact C-N 3.32Å; D382-N384 PolarHBondContact O-N 3.42Å
385M33.3Very low32.4Very low164 Ų164131.7 Ų131.781%0.80879%0.791SS**  trans16578.1137.1-89.2-57.9-74.800110.5A387M385-A387 PolarHBondContact O-N 2.85Å
386I30.7Very low32.3Very low179 Ų179128.8 Ų128.892%0.91880%0.795SS**  trans-87.674.3172.1-52.6170.8000109.1
387A28.7Very low32.4Very low77 Ų77124.6 Ų124.664%0.63680%0.797SS**  trans-176.398.9163.900000113.4M385M385-A387 PolarHBondContact O-N 2.85Å
388A31.2Very low32.5Very low110 Ų110126.2 Ų126.291%0.90980%0.803SS**  trans-172.265157.700000111.8
389A27.8Very low32.2Very low89 Ų89127.2 Ų127.274%0.73680%0.804SS**  trans-105.2142.8174.500000111.5
390T29.3Very low32.4Very low142 Ų142127.5 Ų127.587%0.87181%0.813SS**  trans70.5112.4156.6-45.30000118
391A29.6Very low32.4Very low89 Ų89131.3 Ų131.374%0.73682%0.82SS**  160.1165.4112.800000116.1
392V31.4Very low32.4Very low127 Ų127131.9 Ų131.977%0.7782%0.822SS**  trans72.676.9157.5-154.50000121.3
393V31.4Very low32Very low132 Ų132133.1 Ų133.180%0.882%0.823SS**  47.9108104.3-176.60000120.8
394A28.9Very low31.7Very low100 Ų100128.7 Ų128.783%0.82681%0.814SS**  trans52.6113.5130.100000124.6
395A36.8Very low31.5Very low109 Ų109128.3 Ų128.390%0.90182%0.817SS**  -158.7151.2128.500000107.8
396G32.3Very low31.3Very low84 Ų84125.6 Ų125.687%0.86681%0.814SS**  cis146.494.3-2.400000110.7
397G34.3Very low31.7Very low81 Ų81123.1 Ų123.184%0.83581%0.81SS**  trans-174.9141.2-17700000115.6
398M34.8Very low31.9Very low194 Ų194127.1 Ų127.196%0.95681%0.813SS**  trans-66.7155.1-165.3-114.384.383.500118.1
399L29.4Very low32Very low139 Ų139130.5 Ų130.573%0.72881%0.807SS**  trans-81.4162.6157.1-112.1161000111.1Q401L399-Q401 HydrophobicContact CD2-CG 4.48Å
400P36.9Very low32.3Very low121 Ų121132.2 Ų132.279%0.78680%0.804SS**  -140.3162.5108.138.8-27.8000114.8
401Q31.9Very low32.8Very low172 Ų172130.8 Ų130.880%0.80480%0.797SS**  trans-94.1160.7168.8-70.6-163.257.100112.1L399L399-Q401 HydrophobicContact CD2-CG 4.48Å
402L34.8Very low33.1Very low177 Ų177132.3 Ų132.393%0.92780%0.802SS**  trans-137.6155.7157.4-92.8171.6000109.6
403E28.3Very low33.3Very low171 Ų171135.4 Ų135.480%0.79981%0.808SS**  trans-140142.3-144.7177175.5-158.400114.4
404S28.4Very low33.4Very low102 Ų102131.8 Ų131.871%0.71380%0.798SS**  trans63.5150.7167.176.10000116.2
405T30.8Very low33.9Very low136 Ų136133.6 Ų133.683%0.83480%0.799SS**  -162.8162.261.342.20000112.2
406S28.7Very low34.1Very low107 Ų107133.4 Ų133.475%0.74879%0.788SS**  trans-144.6150.8173.558.80000112.8
407P39.2Very low34.4Very low127 Ų127137.6 Ų137.683%0.82579%0.788SS**  trans-130.4169.8165.840.1-28.6000114
408F33.6Very low34.5Very low161 Ų161136.7 Ų136.771%0.70678%0.778SS**  cis-171.4175.8-48.5-139.5-91.7000107.1L410F408-L410 HydrophobicContact CD1-CD1 4.27Å; F408-L410 HydrophobicContact CE1-CD1 4.26Å
409F34.1Very low34.7Very low180 Ų180133 Ų13379%0.78977%0.767SS**  trans76142.4173.8-63.2-91.1000118.1
410L33.9Very low35Very low125 Ų125132.8 Ų132.865%0.65477%0.766SS**  cis166.4179-38.5-93.7163.5000106.8F408F408-L410 HydrophobicContact CD1-CD1 4.27Å; F408-L410 HydrophobicContact CE1-CD1 4.26Å
411P39.4Very low35Very low112 Ų112134.6 Ų134.673%0.72777%0.768SS**  cis-130.4173.9-48.537.7-23.7000114
412S35.1Very low35Very low121 Ų121133.7 Ų133.785%0.84677%0.768SS**  trans-152.2144.5134.2-163.90000112.1
413Q35.8Very low35.4Very low192 Ų192130 Ų13090%0.89776%0.755SS**  trans-71.3163.2-167.1-50.6170.612.100113.1
414G34.6Very low35.8Very low57 Ų57127.3 Ų127.359%0.58875%0.75SS**  cis-178.6145.3-0.500000109.7
415T38.2Very low35.9Very low138 Ų138129.6 Ų129.685%0.84776%0.755SS**  67.71468459.20000116.6
416P41.2Very low36Very low105 Ų105127.9 Ų127.968%0.68275%0.748SS**  cis-142.6-161.2-19.734.6-10.8000114.7
417M38.4Very low36.4Very low172 Ų172129.5 Ų129.585%0.84775%0.748SS**  trans79.8134.2166.6-43.6-55.2-79.200117.9
418G37.8Very low36.2Very low62 Ų62130 Ų13064%0.63974%0.743SS**  cis179.8142.9-9.400000115.8
419T38.4Very low36.3Very low117 Ų117129.7 Ų129.772%0.71875%0.747SS**  trans57109142.7570000122.4
420D34.8Very low36.4Very low134 Ų134127.7 Ų127.772%0.71775%0.745SS**  93.3116110-61.1-10000124.6
421L37Very low36.5Very low158 Ų158126.5 Ų126.583%0.82775%0.747SS**  86.1133.6127.1-65.4171.5000123.8
422L33.2Very low36.3Very low154 Ų154124.6 Ų124.681%0.80675%0.748SS**  trans-49.6175.2164.6-92.870.1000116.4
423P42.7Very low36.3Very low99 Ų99129.9 Ų129.964%0.64375%0.749SS**  cis-143.2-174.9-16.132.6-10.2000116.4
424T36.7Very low36.5Very low114 Ų114126 Ų12670%0.69974%0.739SS**  trans66.4113.9148.841.20000122.1
425N30.3Very low36.5Very low151 Ų151129.2 Ų129.281%0.80774%0.743SS**  trans40.8110.6134.7-56.2-9.9000118.2
426S34.1Very low36.5Very low100 Ų100128.8 Ų128.870%0.69974%0.735SS**  176.7167.864.249.50000112.8
427N35.6Very low36.3Very low140 Ų140130 Ų13075%0.74974%0.736SS**  trans70.4128.8150.3-72.8-14.4000122.5
428I36.3Very low36.2Very low139 Ų139129.3 Ų129.371%0.71374%0.735SS**  trans83.1106.1131.7-67.5172.1000120.1
429L35.5Very low36Very low153 Ų153129.7 Ų129.780%0.80174%0.739SS**  trans55.9116.7136.2-87.184.4000123.2
430N35.1Very low35.7Very low139 Ų139129.8 Ų129.874%0.74374%0.744SS**  100.1131.2115.4-154.427000121
431S35.9Very low36.1Very low100 Ų100129.4 Ų129.470%0.69975%0.749SS**  trans45.4116.8150.762.70000121.6
432G35.8Very low35.9Very low72 Ų72127.9 Ų127.974%0.74275%0.752SS**  138.4117.195.100000120.5
433R35.9Very low36Very low231 Ų231124.3 Ų124.387%0.87275%0.752SS**  trans82.6147132.9-101.4-175.3173.6134.40.1122.7
434T38.8Very low35.6Very low110 Ų110128 Ų12868%0.67576%0.763SS**  trans71139.7146.652.60000120.4
435D35Very low35.4Very low125 Ų125131.5 Ų131.567%0.66877%0.768SS**  cis-173.4178.3-29.6-115-44.5000110
436N38.2Very low35.7Very low129 Ų129131.6 Ų131.669%0.6977%0.768SS**  trans89115.3167.1-56.6-70.2000116.4
437N37.1Very low35.6Very low130 Ų130133.8 Ų133.870%0.69577%0.772SS**  87.3141.560.4-72.6-32.2000111.8
438L36.2Very low35.6Very low159 Ų159131.9 Ų131.983%0.83277%0.77SS**  cis-163.8164.6-3.1-120.2164.1000109.8
439G34.4Very low35.7Very low70 Ų70129.7 Ų129.772%0.72277%0.767SS**  trans108.999.6146.600000119.4
440S31.2Very low35.7Very low119 Ų119133.3 Ų133.383%0.83277%0.77SS**  trans-75.9168.7148.9-40.20000109.9
441P43.1Very low35.8Very low126 Ų126133.5 Ų133.582%0.81878%0.776SS**  -153.8-178.279.141.1-20.9000116.7
442S33.2Very low35.8Very low126 Ų126131.8 Ų131.888%0.88177%0.774SS**  trans-66.3155.6177.9-42.10000115.3
443G35Very low36Very low79 Ų79138.4 Ų138.481%0.81478%0.777SS**  trans-161.8147.3167.400000112.5
444M34.3Very low36Very low177 Ų177136.1 Ų136.187%0.87277%0.768SS**  trans-119.6160.2-176.5-73.4-171175.700113.1
445K32.7Very low36Very low186 Ų186138.1 Ų138.181%0.80978%0.775SS**  trans84.2143.4143.3-93.1173.8-178.2176.40121.1
446L36.6Very low36.2Very low153 Ų153137 Ų13780%0.80178%0.783SS**  trans90.6127.6151.3-69.3160.1000121.8
447N31.2Very low36.2Very low146 Ų146136.2 Ų136.278%0.78179%0.794SS**  trans-5.7147150.8-60.5-10.2000117.7
448S36.9Very low36.1Very low101 Ų101133.4 Ų133.471%0.70680%0.796SS**  -178.6152.759.5-167.70000115.2
449S37.3Very low36.3Very low92 Ų92130.9 Ų130.964%0.64379%0.792SS**  trans44.1110.6142.664.10000123.7
450R35.5Very low36.3Very low230 Ų230138.5 Ų138.587%0.86880%0.799SS**  70.5145.3104.3-151.7-170.1-168.3-175.84.7121
451T37.6Very low36.7Very low142 Ų142138.4 Ų138.487%0.87180%0.798SS**  trans105.5142.6153.8740000119.4
452G36Very low36.5Very low65 Ų65137.3 Ų137.367%0.6780%0.8SS**  trans145.980.8-173.200000109.5
453R39.2Very low36.5Very low211 Ų211135.3 Ų135.380%0.79680%0.799SS**  65.3138.597.9-69.5-174.5-177.7-1713.9113.8
454R36.9Very low36.5Very low183 Ų183136.4 Ų136.469%0.69180%0.8SS**  cis-176151.1-10.1-115.8176-165168.20.6108
455N37.5Very low36.6Very low152 Ų152136.8 Ų136.881%0.81380%0.8SS**  trans65163.8159-48.2-5.6000115.8
456A40.6Very low36.9Very low102 Ų102137.1 Ų137.184%0.84380%0.801SS**  cis-137.7175.1-7.300000110
457A37.6Very low36.8Very low111 Ų111136.6 Ų136.692%0.91780%0.799SS**  trans-106.7152.8-172.500000115.2
458G35.8Very low37.1Very low71 Ų71140.5 Ų140.573%0.73280%0.803SS**  trans149.1148.6165.800000112.6
459S39.3Very low37Very low107 Ų107146 Ų14675%0.74881%0.814SS**  cis-166.1130.6-19-120.10000110.4
460R35.4Very low37.1Very low230 Ų230149.9 Ų149.987%0.86882%0.822SS**  trans36.8113.4145.7-58.8174.1170.1-155.6-4.7120
461S39.7Very low37.3Very low117 Ų117142.5 Ų142.582%0.81880%0.804SS**  165.9121.7113.7-70.60000109.1
462A37.7Very low37.6Very low103 Ų103141.4 Ų141.485%0.85180%0.797SS**  cis91.1112.341.600000114.2
463G32.9Very low37.8Very low84 Ų84145.5 Ų145.587%0.86680%0.798SS**  trans91.791.5149.700000119.1
464A35.8Very low37.8Very low101 Ų101137 Ų13784%0.83577%0.773SS**  trans-169.668.114600000112.2K466A464-K466 PolarHBondContact O-N 3.19Å
465Q36.8Very low38.2Very low185 Ų185136.3 Ų136.386%0.86478%0.775SS**  trans-72.7120.6167.3179.2177.8-19.400109
466K37.9Very low38.6Very low193 Ų193134.4 Ų134.484%0.83976%0.761SS**  trans-150.7113.7172.2-157.2166.8-169.7171.10111.3A464 R468A464-K466 PolarHBondContact O-N 3.19Å; K466-R468 PolarHBondContact O-N 2.96Å
467D35.4Very low38.5Very low142 Ų142136.2 Ų136.276%0.75975%0.752SS**  trans-62122.8-172.3-60.8-96.3000113.3
468R36.5Very low38.7Very low228 Ų228138.8 Ų138.886%0.8674%0.738SS**  trans-136.1114162.8-74.8-169.8167.7173.8-4.8110K466 H470K466-R468 PolarHBondContact O-N 2.96Å; R468-H470 PolarHBondContact O-N 3.44Å
469K35.8Very low39.1Very low216 Ų216143.9 Ų143.994%0.93974%0.735SS**PPolyproline II helixtrans-62.2123.6175.8-58.4173.1-177.8177.30108.8
470H38.8Very low39.5Very low175 Ų175143.1 Ų143.181%0.8172%0.722SS**PPolyproline II helixtrans-98.7141.6171.2-108.9-92.6000110.7R468R468-H470 PolarHBondContact O-N 3.44Å
471P39.5Very low39.7Very low75 Ų75136.7 Ų136.749%0.48770%0.699SS.*PPolyproline II helixtrans-81.5137.6-163.130.9-35.6000113.5A474P471-A474 HydrophobicContact CG-CB 4.23Å
472V44.4Very low40.2Very low119 Ų119135.7 Ų135.772%0.72168%0.684SS**SBendtrans-72.9-33.4172.1177.50000111.1A474 K475V472-A474 VanDerWaalsContact C-N 3.3Å; V472-A474 PolarHBondContact O-N 3.33Å; V472-K475 PolarHBondContact O-N 3.23Å; V472-K475 VanDerWaalsContact O-N 3.14Å
473E40.6Very low40.7Very low150 Ų150136.4 Ų136.470%0.70167%0.67SS**Hα-helixtrans-60.9-34.3-175.1-70157.1116.500113.3K475 H476 Q477E473-K475 VanDerWaalsContact C-N 3.29Å; E473-K475 PolarHBondContact O-N 3.48Å; E473-H476 CarbonylContact O-C 3.57Å; E473-H476 WeakPolarHBondContact O-CA 3.42Å; E473-H476 WeakPolarHBondContact O-CB 3.17Å; E473-H476 PolarHBondContact O-N 2.94Å; E473-Q477 PolarHBondContact O-N 3.29Å
474A38.8Very low41.2Very low33 Ų33135.8 Ų135.827%0.27365%0.646SS.*Hα-helixtrans-56.9-42.1176.300000111.9P471 V472 H476 Q477 W478P471-A474 HydrophobicContact CG-CB 4.23Å; V472-A474 VanDerWaalsContact C-N 3.3Å; V472-A474 PolarHBondContact O-N 3.33Å; A474-H476 PolarHBondContact O-N 3.16Å; A474-Q477 PolarHBondContact O-N 2.98Å; A474-W478 PolarHBondContact O-N 3.48Å
475K45.3Very low41.6Very low168 Ų168134.6 Ų134.673%0.7362%0.622SS**Hα-helixtrans-67.7-24.5175.9-76.6-174.4174.21800113V472 E473 R479V472-K475 PolarHBondContact O-N 3.23Å; V472-K475 VanDerWaalsContact O-N 3.14Å; E473-K475 VanDerWaalsContact C-N 3.29Å; E473-K475 PolarHBondContact O-N 3.48Å; K475-R479 PolarHBondContact O-N 2.79Å
476H45.3Very low42.1Very low113 Ų113131.2 Ų131.252%0.52361%0.61SS.*Hα-helixtrans-78.8-38.8174.2-121.7-86.2000111.9E473 A474 R479 L480E473-H476 CarbonylContact O-C 3.57Å; E473-H476 WeakPolarHBondContact O-CA 3.42Å; E473-H476 WeakPolarHBondContact O-CB 3.17Å; E473-H476 PolarHBondContact O-N 2.94Å; A474-H476 PolarHBondContact O-N 3.16Å; H476-R479 PolarHBondContact O-N 3.45Å; H476-L480 PolarHBondContact O-N 3.25Å
477Q39.4Very low42.3Very low139 Ų139129.2 Ų129.265%0.6560%0.603SS**Hα-helixtrans-63.5-44.6173.5-73.3-178.8-44.700112.3E473 A474 R479 L480 Y481E473-Q477 PolarHBondContact O-N 3.29Å; A474-Q477 PolarHBondContact O-N 2.98Å; Q477-R479 PolarHBondContact O-N 3.42Å; Q477-L480 PolarHBondContact O-N 2.97Å; Q477-Y481 WeakPolarHBondContact O-CB 3.12Å; Q477-Y481 PolarHBondContact O-N 2.83Å
478W40.9Very low42.8Very low166 Ų166127.3 Ų127.363%0.62959%0.59SS**Hα-helixtrans-61.4-41.1175.5-72.5113.5000112.3A474 Y481 D482A474-W478 PolarHBondContact O-N 3.48Å; W478-Y481 PolarHBondContact O-N 3.13Å; W478-D482 PolarHBondContact O-N 3.48Å
479R45.6Very low42.7Very low178 Ų178125.6 Ų125.667%0.67258%0.583SS**Hα-helixtrans-62.1-42.7173.5-83.6-177.3170.6176-3.3113.1K475 H476 Q477 Y481 D482 Q483K475-R479 PolarHBondContact O-N 2.79Å; H476-R479 PolarHBondContact O-N 3.45Å; Q477-R479 PolarHBondContact O-N 3.42Å; R479-Y481 VanDerWaalsContact C-N 3.32Å; R479-D482 PolarHBondContact O-N 2.77Å; R479-Q483 VanDerWaalsContact O-CB 3.24Å; R479-Q483 WeakPolarHBondContact O-CB 3.39Å; R479-Q483 PolarHBondContact O-N 3Å
480L46.8Very low43Very low90 Ų90123.6 Ų123.647%0.47158%0.577SS.*Hα-helixtrans-63.7-38.2174.8-81.3164.1000111.7H476 Q477 Q483 L484H476-L480 PolarHBondContact O-N 3.25Å; Q477-L480 PolarHBondContact O-N 2.97Å; L480-Q483 PolarHBondContact O-N 2.6Å; L480-L484 WeakPolarHBondContact O-CB 3Å; L480-L484 WeakPolarHBondContact O-CD1 3.47Å; L480-L484 VanDerWaalsContact O-CG 3.27Å; L480-L484 WeakPolarHBondContact O-CG 3.47Å; L480-L484 PolarHBondContact O-N 3.44Å
481Y40.2Very low42.9Very low96 Ų96117.7 Ų117.738%0.37655%0.551SS.*Hα-helixtrans-65.6-44.2176.3-171.9-94000112.2Q477 W478 R479 L484 K485Q477-Y481 WeakPolarHBondContact O-CB 3.12Å; Q477-Y481 PolarHBondContact O-N 2.83Å; W478-Y481 PolarHBondContact O-N 3.13Å; R479-Y481 VanDerWaalsContact C-N 3.32Å; Y481-L484 PolarHBondContact O-N 3.47Å; Y481-K485 HydrophobicContact CD1-CD 4.45Å; Y481-K485 HydrophobicContact CE1-CD 3.75Å; Y481-K485 HydrophobicContact CE1-CG 4.46Å; Y481-K485 PolarHBondContact O-N 2.75Å; Y481-K485 WeakPolarHBondContact OH-CE 3.26Å; Y481-K485 PolarHBondContact OH-NZ 2.87Å; Y481-K485 VanDerWaalsContact OH-NZ 3.09Å
482D50.5Low43.2Very low95 Ų95119.5 Ų119.551%0.50856%0.557SS.*Hα-helixtrans-63.8-39.3173.1-75.2-28.5000112.1W478 R479 K485 L486W478-D482 PolarHBondContact O-N 3.48Å; R479-D482 PolarHBondContact O-N 2.77Å; D482-K485 PolarHBondContact O-N 3.39Å; D482-L486 WeakPolarHBondContact O-CB 3.31Å; D482-L486 WeakPolarHBondContact O-CG 3.46Å; D482-L486 PolarHBondContact O-N 3.16Å
483Q48.3Very low43.6Very low119 Ų119117.7 Ų117.756%0.55655%0.548SS*.Hα-helixtrans-68-36.5178.6-163166.730.900111.9R479 L480 L486 Q487R479-Q483 VanDerWaalsContact O-CB 3.24Å; R479-Q483 WeakPolarHBondContact O-CB 3.39Å; R479-Q483 PolarHBondContact O-N 3Å; L480-Q483 PolarHBondContact O-N 2.6Å; Q483-L486 PolarHBondContact O-N 2.83Å; Q483-Q487 PolarHBondContact O-N 2.81Å
484L43Very low44.4Very low70 Ų70115.2 Ų115.237%0.36654%0.539SS..Hα-helixtrans-67.6-42.8170.2-74.5164.5000112L480 Y481 L486 Q487 Q488 L587L480-L484 WeakPolarHBondContact O-CB 3Å; L480-L484 WeakPolarHBondContact O-CD1 3.47Å; L480-L484 VanDerWaalsContact O-CG 3.27Å; L480-L484 WeakPolarHBondContact O-CG 3.47Å; L480-L484 PolarHBondContact O-N 3.44Å; Y481-L484 PolarHBondContact O-N 3.47Å; L484-L486 PolarHBondContact O-N 2.77Å; L484-Q487 PolarHBondContact O-N 3.1Å; L484-Q487 VanDerWaalsContact O-N 3.15Å; L484-Q488 PolarHBondContact O-N 2.93Å; L484-L587 HydrophobicContact CD2-CD2 3.83Å
485K43.4Very low45.8Very low76 Ų76114.8 Ų114.833%0.3354%0.535SS..Hα-helixtrans-66.1-24.2173.8-95-173.5168.7171.60113.4Y481 D482 E557Y481-K485 HydrophobicContact CD1-CD 4.45Å; Y481-K485 HydrophobicContact CE1-CD 3.75Å; Y481-K485 HydrophobicContact CE1-CG 4.46Å; Y481-K485 PolarHBondContact O-N 2.75Å; Y481-K485 WeakPolarHBondContact OH-CE 3.26Å; Y481-K485 PolarHBondContact OH-NZ 2.87Å; Y481-K485 VanDerWaalsContact OH-NZ 3.09Å; D482-K485 PolarHBondContact O-N 3.39Å; K485-E557 WeakPolarHBondContact CE-OE1 3.33Å; K485-E557 IonicContact NZ-OE1 2.78Å; K485-E557 PolarHBondContact NZ-OE1 3.26Å
486L47.6Very low47.2Very low115 Ų115108.5 Ų108.560%0.60251%0.509SS*.Hα-helixtrans-75.4-38169.4-83.6160.9000112.4D482 Q483 L484 R489D482-L486 WeakPolarHBondContact O-CB 3.31Å; D482-L486 WeakPolarHBondContact O-CG 3.46Å; D482-L486 PolarHBondContact O-N 3.16Å; Q483-L486 PolarHBondContact O-N 2.83Å; L484-L486 PolarHBondContact O-N 2.77Å; L486-R489 PolarHBondContact O-N 2.66Å
487Q43.2Very low48.7Very low150 Ų150105.8 Ų105.870%0.70150%0.499SS*.Hα-helixtrans-67.2-33.2173.5-79.7-173.5-28.700113.3Q483 L484 R489Q483-Q487 PolarHBondContact O-N 2.81Å; L484-Q487 PolarHBondContact O-N 3.1Å; L484-Q487 VanDerWaalsContact O-N 3.15Å; Q487-R489 PolarHBondContact O-N 3.34Å
488Q46Very low50.7Low102 Ų102104.4 Ų104.448%0.47749%0.492SS..THydrogen-bonded Turntrans-72.6-5.4178.4-72.1-176.4-31.700114.6L484 Q490L484-Q488 PolarHBondContact O-N 2.93Å; Q488-Q490 VanDerWaalsContact C-N 3.32Å; Q488-Q490 PolarHBondContact O-N 2.74Å
489R33.9Very low52.5Low193 Ų19398.2 Ų98.273%0.72847%0.472SS*.THydrogen-bonded Turntrans-83.467.6179.7-81.3178.8160.6170-4.2113.3L486 Q487L486-R489 PolarHBondContact O-N 2.66Å; Q487-R489 PolarHBondContact O-N 3.34Å
490Q41.6Very low54.3Low174 Ų17489.8 Ų89.881%0.81344%0.44SS*.THydrogen-bonded Turntrans-131-23163-79.1-63.6-74.100114.3Q488Q488-Q490 VanDerWaalsContact C-N 3.32Å; Q488-Q490 PolarHBondContact O-N 2.74Å
491L35.8Very low56.1Low50 Ų5088.1 Ų88.126%0.26243%0.431SS..SBendtrans-105.3143.6172.6-72.299.8000112.1P493 A580 F581 Y585L491-P493 WeakPolarHBondContact O-CD 3.45Å; L491-A580 HydrophobicContact CD2-CB 4.31Å; L491-F581 HydrophobicContact CD2-CD1 3.98Å; L491-F581 HydrophobicContact CD2-CD2 4.17Å; L491-F581 HydrophobicContact CD2-CE1 3.56Å; L491-F581 HydrophobicContact CD2-CE2 3.76Å; L491-F581 HydrophobicContact CD2-CG 4.27Å; L491-F581 HydrophobicContact CD2-CZ 3.44Å; L491-F581 VanDerWaalsContact CD2-CZ 3.44Å; L491-Y585 HydrophobicContact CD1-CE2 4.15Å
492N47.5Very low58.1Low113 Ų11388.2 Ų88.260%0.60444%0.438SS*.  trans-72.3114.3173.3-171.117.5000108.6L494 A495N492-L494 VanDerWaalsContact C-N 3.25Å; N492-L494 PolarHBondContact O-N 2.87Å; N492-L494 VanDerWaalsContact O-N 3.1Å; N492-A495 VanDerWaalsContact O-CB 3.24Å; N492-A495 WeakPolarHBondContact O-CB 3.48Å; N492-A495 PolarHBondContact O-N 3.46Å
493P51Low59.5Low81 Ų8184.7 Ų84.753%0.52642%0.419SS..THydrogen-bonded Turntrans-63.6-26.7-163.121.6-33.4000114.2L491 A495 L560L491-P493 WeakPolarHBondContact O-CD 3.45Å; P493-A495 PolarHBondContact O-N 3.44Å; P493-L560 HydrophobicContact CB-CD1 3.96Å; P493-L560 WeakPolarHBondContact O-CD2 3.44Å
494L59.4Low61.1Low98 Ų9879 Ų7951%0.51339%0.393SS..THydrogen-bonded Turntrans-63.8-27.6176.1-66.8171.5000113.1N492 L496 L497 E498N492-L494 VanDerWaalsContact C-N 3.25Å; N492-L494 PolarHBondContact O-N 2.87Å; N492-L494 VanDerWaalsContact O-N 3.1Å; L494-L496 PolarHBondContact O-N 2.84Å; L494-L496 VanDerWaalsContact O-N 3.11Å; L494-L497 PolarHBondContact O-N 3.03Å; L494-E498 PolarHBondContact O-N 3.14Å
495A68.3Low63Low25 Ų2580.3 Ų80.321%0.20740%0.399CS..Hα-helixtrans-62.1-23.7-175.100000113.6N492 P493 N499N492-A495 VanDerWaalsContact O-CB 3.24Å; N492-A495 WeakPolarHBondContact O-CB 3.48Å; N492-A495 PolarHBondContact O-N 3.46Å; P493-A495 PolarHBondContact O-N 3.44Å; A495-N499 WeakPolarHBondContact O-CB 3.41Å; A495-N499 PolarHBondContact O-N 2.59Å; A495-N499 PolarHBondContact O-ND2 3.02Å
496L73.3Confident64.7Low35 Ų3583.1 Ų83.118%0.18341%0.408CS..Hα-helixtrans-70.7-33.4173.9-91.5170000112.9L494 L500 L560 I567 F581L494-L496 PolarHBondContact O-N 2.84Å; L494-L496 VanDerWaalsContact O-N 3.11Å; L496-L500 WeakPolarHBondContact O-CB 3.28Å; L496-L500 PolarHBondContact O-N 3.21Å; L496-L560 HydrophobicContact CB-CD2 4.07Å; L496-I567 HydrophobicContact CD2-CD1 3.86Å; L496-F581 HydrophobicContact CD1-CE1 4.46Å; L496-F581 HydrophobicContact CD2-CE1 3.93Å; L496-F581 HydrophobicContact CD2-CZ 3.75Å; L496-F581 HydrophobicContact CG-CE1 4.17Å; L496-F581 HydrophobicContact CG-CZ 3.99Å
497L77.9Confident66.1Low57 Ų5780 Ų8030%0.29839%0.392SS..Hα-helixtrans-74.5-39.6175.6-128.182.5000110.8L494 N501 K559 L560 S563L494-L497 PolarHBondContact O-N 3.03Å; L497-N501 WeakPolarHBondContact O-CB 3.44Å; L497-N501 PolarHBondContact O-N 2.64Å; L497-N501 VanDerWaalsContact O-N 3.13Å; L497-K559 HydrophobicContact CD1-CB 4.17Å; L497-L560 HydrophobicContact CB-CD2 4.41Å; L497-L560 HydrophobicContact CD1-CD2 3.83Å; L497-S563 WeakPolarHBondContact CD1-OG 3.33Å
498E80.6Confident67.8Low109 Ų10974.6 Ų74.651%0.50938%0.377SS..Hα-helixtrans-65.4-50.9176.3-66.1167.2157.500110.6L494 L500 N501 D502L494-E498 PolarHBondContact O-N 3.14Å; E498-L500 VanDerWaalsContact C-N 3.33Å; E498-L500 PolarHBondContact O-N 2.75Å; E498-N501 WeakPolarHBondContact O-CB 3.19Å; E498-N501 PolarHBondContact O-N 2.82Å; E498-D502 PolarHBondContact O-N 3.04Å
499N79Confident69.2Low37 Ų3770.4 Ų70.420%0.19836%0.358CS..Hα-helixtrans-57.1-40.8176.1-73.8-16.9000112.9A495 L503 L577A495-N499 WeakPolarHBondContact O-CB 3.41Å; A495-N499 PolarHBondContact O-N 2.59Å; A495-N499 PolarHBondContact O-ND2 3.02Å; N499-L503 VanDerWaalsContact O-CB 3.25Å; N499-L503 WeakPolarHBondContact O-CB 3.35Å; N499-L503 PolarHBondContact O-N 3.35Å; N499-L577 HydrophobicContact CB-CD1 4.39Å
500L83Confident71.2Confident0 Ų062.2 Ų62.20%033%0.334CS..Hα-helixtrans-62.4-45.4175.4179.785.1000111L496 E498 C504 P512 C514 V537 A566 I567L496-L500 WeakPolarHBondContact O-CB 3.28Å; L496-L500 PolarHBondContact O-N 3.21Å; E498-L500 VanDerWaalsContact C-N 3.33Å; E498-L500 PolarHBondContact O-N 2.75Å; L500-C504 WeakPolarHBondContact O-CB 3.27Å; L500-C504 PolarHBondContact O-N 3.25Å; L500-C504 PolarHBondContact O-SG 3.14Å; L500-P512 HydrophobicContact CD2-CB 3.73Å; L500-P512 HydrophobicContact CD2-CG 3.65Å; L500-P512 HydrophobicContact CG-CB 4.26Å; L500-P512 HydrophobicContact CG-CG 3.93Å; L500-C514 VanDerWaalsContact CD2-SG 3.55Å; L500-V537 HydrophobicContact CD2-CG1 4.15Å; L500-V537 HydrophobicContact CD2-CG2 4.44Å; L500-A566 HydrophobicContact CD1-CB 3.68Å; L500-I567 HydrophobicContact CB-CD1 4.26Å; L500-I567 HydrophobicContact CB-CG1 4.34Å; L500-I567 HydrophobicContact CD1-CD1 4.48Å; L500-I567 HydrophobicContact CD1-CG1 3.71Å
501N84.8Confident73.2Confident55 Ų5557.6 Ų57.629%0.29432%0.32SS..Hα-helixtrans-64.8-46.6179.7-174.455000111.1L497 E498 L503 C504 L505 P512L497-N501 WeakPolarHBondContact O-CB 3.44Å; L497-N501 PolarHBondContact O-N 2.64Å; L497-N501 VanDerWaalsContact O-N 3.13Å; E498-N501 WeakPolarHBondContact O-CB 3.19Å; E498-N501 PolarHBondContact O-N 2.82Å; N501-L503 PolarHBondContact O-N 2.75Å; N501-C504 PolarHBondContact O-N 3.31Å; N501-L505 WeakPolarHBondContact O-CB 3.27Å; N501-L505 VanDerWaalsContact O-CG 3.24Å; N501-L505 WeakPolarHBondContact O-CG 3.28Å; N501-L505 PolarHBondContact O-N 2.96Å; N501-P512 HydrophobicContact CB-CG 4.42Å; N501-P512 WeakPolarHBondContact OD1-CD 3.35Å
502D81.4Confident75.5Confident99 Ų9956.1 Ų56.153%0.52931%0.314SS..Hα-helixtrans-63.5-41177.7-75.7-3.4000112.3E498 L505 R506E498-D502 PolarHBondContact O-N 3.04Å; D502-L505 PolarHBondContact O-N 2.85Å; D502-R506 WeakPolarHBondContact O-CB 3.5Å; D502-R506 PolarHBondContact O-N 3.23Å
503L81.6Confident77.4Confident21 Ų2155.4 Ų55.411%0.1131%0.309CS..Hα-helixtrans-61.6-45.9174.2-16398.5000111N499 N501 L505 R506 D507 L570 L577N499-L503 VanDerWaalsContact O-CB 3.25Å; N499-L503 WeakPolarHBondContact O-CB 3.35Å; N499-L503 PolarHBondContact O-N 3.35Å; N501-L503 PolarHBondContact O-N 2.75Å; L503-L505 VanDerWaalsContact C-N 3.33Å; L503-L505 PolarHBondContact O-N 3.44Å; L503-R506 PolarHBondContact O-N 3.13Å; L503-D507 WeakPolarHBondContact O-CB 3.18Å; L503-D507 PolarHBondContact O-N 3.15Å; L503-L570 HydrophobicContact CD2-CD1 3.93Å; L503-L577 HydrophobicContact CD1-CD1 4.31Å
504C81.7Confident79.2Confident0 Ų052.7 Ų52.70%029%0.291CS..Hα-helixtrans-69.7-27.6178.8-65.40000113.5L500 N501 G508 L509 G510 P512L500-C504 WeakPolarHBondContact O-CB 3.27Å; L500-C504 PolarHBondContact O-N 3.25Å; L500-C504 PolarHBondContact O-SG 3.14Å; N501-C504 PolarHBondContact O-N 3.31Å; C504-G508 CarbonylContact O-C 3.5Å; C504-G508 PolarHBondContact O-N 3.35Å; C504-L509 HydrophobicContact CB-CB 4.21Å; C504-L509 WeakPolarHBondContact O-CA 3.24Å; C504-L509 PolarHBondContact O-N 2.84Å; C504-G510 WeakPolarHBondContact CB-O 3.12Å; C504-G510 PolarHBondContact O-N 2.9Å; C504-P512 HydrophobicContact CB-CG 4.37Å
505L81.2Confident80.6Confident96 Ų9649.9 Ų49.950%0.50328%0.28SS..Hα-helixtrans-76.6-47.3173.5-73.6168.9000111.3N501 D502 L503 D507 G508N501-L505 WeakPolarHBondContact O-CB 3.27Å; N501-L505 VanDerWaalsContact O-CG 3.24Å; N501-L505 WeakPolarHBondContact O-CG 3.28Å; N501-L505 PolarHBondContact O-N 2.96Å; D502-L505 PolarHBondContact O-N 2.85Å; L503-L505 VanDerWaalsContact C-N 3.33Å; L503-L505 PolarHBondContact O-N 3.44Å; L505-D507 PolarHBondContact O-N 2.91Å; L505-G508 PolarHBondContact O-N 2.8Å; L505-G508 VanDerWaalsContact O-N 3.13Å
506R79.7Confident81.6Confident136 Ų13650 Ų5051%0.51328%0.281SS..Hα-helixtrans-58.1-46.1177.4-173.7-163.371.2-169.2-3.8111.8D502 L503 G508D502-R506 WeakPolarHBondContact O-CB 3.5Å; D502-R506 PolarHBondContact O-N 3.23Å; L503-R506 PolarHBondContact O-N 3.13Å; R506-G508 PolarHBondContact O-N 2.84Å
507D78.1Confident82.3Confident48 Ų4851.8 Ų51.826%0.25729%0.29SS..THydrogen-bonded Turntrans-87.310-178-59.1-11.7000111.9L503 L505 L509L503-D507 WeakPolarHBondContact O-CB 3.18Å; L503-D507 PolarHBondContact O-N 3.15Å; L505-D507 PolarHBondContact O-N 2.91Å; D507-L509 HydrophobicContact CB-CD1 4.25Å; D507-L509 HydrophobicContact CB-CG 4.07Å; D507-L509 PolarHBondContact O-N 2.74Å
508G77.1Confident82.7Confident38 Ų3852.4 Ų52.439%0.39230%0.298SS..THydrogen-bonded Turntrans70.410.4171.300000115.6C504 L505 R506 G510 K541C504-G508 CarbonylContact O-C 3.5Å; C504-G508 PolarHBondContact O-N 3.35Å; L505-G508 PolarHBondContact O-N 2.8Å; L505-G508 VanDerWaalsContact O-N 3.13Å; R506-G508 PolarHBondContact O-N 2.84Å; G508-G510 VanDerWaalsContact C-N 3.27Å; G508-G510 PolarHBondContact O-N 3.12Å; G508-K541 VanDerWaalsContact O-CD 3.31Å; G508-K541 WeakPolarHBondContact O-CD 3.3Å; G508-K541 WeakPolarHBondContact O-CE 3.44Å; G508-K541 PolarHBondContact O-NZ 3.49Å
509L76.2Confident82.9Confident13 Ų1349.3 Ų49.37%0.06829%0.286CS..  trans-71.6-16.8-173.7-51.7178.1000113.8C504 D507 I539 K541 L542 L570 F572C504-L509 HydrophobicContact CB-CB 4.21Å; C504-L509 WeakPolarHBondContact O-CA 3.24Å; C504-L509 PolarHBondContact O-N 2.84Å; D507-L509 HydrophobicContact CB-CD1 4.25Å; D507-L509 HydrophobicContact CB-CG 4.07Å; D507-L509 PolarHBondContact O-N 2.74Å; L509-I539 HydrophobicContact CB-CG2 3.96Å; L509-K541 VanDerWaalsContact O-CB 3.3Å; L509-K541 WeakPolarHBondContact O-CB 3.39Å; L509-K541 VanDerWaalsContact O-CG 3.26Å; L509-K541 WeakPolarHBondContact O-CG 3.37Å; L509-L542 HydrophobicContact CD1-CD1 3.96Å; L509-L542 HydrophobicContact CD2-CD1 4.22Å; L509-L542 HydrophobicContact CD2-CD2 4.06Å; L509-L542 HydrophobicContact CD2-CG 4.07Å; L509-L570 HydrophobicContact CD1-CD2 4.26Å; L509-F572 HydrophobicContact CD1-CD2 4.17Å; L509-F572 HydrophobicContact CD1-CE2 3.91Å; L509-F572 HydrophobicContact CD1-CZ 4.48Å; L509-F572 HydrophobicContact CD2-CE2 4.04Å; L509-F572 HydrophobicContact CD2-CZ 3.86Å
510G76.5Confident83Confident22 Ų2251.2 Ų51.223%0.22730%0.296CS..  trans87.7164.2-176.900000112.5C504 G508C504-G510 WeakPolarHBondContact CB-O 3.12Å; C504-G510 PolarHBondContact O-N 2.9Å; G508-G510 VanDerWaalsContact C-N 3.27Å; G508-G510 PolarHBondContact O-N 3.12Å
511S82.3Confident82.7Confident76 Ų7654.7 Ų54.753%0.53131%0.311SS..  trans-63.7126.8-173.342.70000112.2
512P84.9Confident82.3Confident19 Ų1957.9 Ų57.912%0.12333%0.327CS..  trans-74.7135.6179.730-33.8000111L500 N501 C504 C514 V537 I539L500-P512 HydrophobicContact CD2-CB 3.73Å; L500-P512 HydrophobicContact CD2-CG 3.65Å; L500-P512 HydrophobicContact CG-CB 4.26Å; L500-P512 HydrophobicContact CG-CG 3.93Å; N501-P512 HydrophobicContact CB-CG 4.42Å; N501-P512 WeakPolarHBondContact OD1-CD 3.35Å; C504-P512 HydrophobicContact CB-CG 4.37Å; P512-C514 PolarHBondContact O-N 2.9Å; P512-V537 HydrophobicContact CB-CG1 4.08Å; P512-I539 HydrophobicContact CB-CG1 4.24Å
513I87.9Confident81.7Confident98 Ų9855.3 Ų55.350%0.50331%0.313SS..EExtended strand (participates in β ladder)trans-95.195.7-179.3-57.2-177.1000109V537 Y538 P540I513-V537 WeakPolarHBondContact O-CA 3.48Å; I513-Y538 HydrophobicContact CD1-CD1 4.34Å; I513-Y538 PolarHBondContact N-O 3.04Å; I513-Y538 PolarHBondContact O-N 3.18Å; I513-Y538 VanDerWaalsContact O-N 3.09Å; I513-P540 HydrophobicContact CD1-CG 4.39Å
514C87.8Confident81.1Confident24 Ų2459.8 Ų59.816%0.16235%0.347CS..EExtended strand (participates in β ladder)trans-91.8110.9179.5-55.80000111.9L500 P512 V537 K559L500-C514 VanDerWaalsContact CD2-SG 3.55Å; P512-C514 PolarHBondContact O-N 2.9Å; C514-V537 HydrophobicContact CB-CG2 4.43Å; C514-K559 HydrophobicContact CB-CG 4.44Å; C514-K559 WeakPolarHBondContact O-CE 3.39Å; C514-K559 PolarHBondContact O-NZ 2.81Å
515S89.1Confident80.3Confident39 Ų3966.6 Ų66.627%0.27338%0.383SS..EExtended strand (participates in β ladder)trans-119.3169.7-178.868.90000112.2Q536S515-Q536 PolarHBondContact N-O 3.46Å; S515-Q536 PolarHBondContact O-N 2.78Å; S515-Q536 PolarHBondContact OG-O 2.75Å
516A89.3Confident79.9Confident27 Ų2766.2 Ų66.222%0.22339%0.385CS..EExtended strand (participates in β ladder)trans-138.6127.3174.100000109.2Y533 V534 A558 K559A516-Y533 HydrophobicContact CB-CD1 4.22Å; A516-V534 CarbonylContact C-O 3.57Å; A516-V534 WeakPolarHBondContact CA-O 3.38Å; A516-A558 HydrophobicContact CB-CB 4.04Å; A516-K559 HydrophobicContact CB-CG 4.34Å
517I88.3Confident79.5Confident74 Ų7462.4 Ų62.438%0.37939%0.388SS..EExtended strand (participates in β ladder)trans-97.4117.8-178.2-56.7173.5000107.7Y533 V534I517-Y533 WeakPolarHBondContact O-CA 3.44Å; I517-V534 PolarHBondContact N-O 2.6Å; I517-V534 PolarHBondContact O-N 2.72Å
518P87.1Confident79.3Confident70 Ų7065 Ų6546%0.45540%0.401SS..EExtended strand (participates in β ladder)trans-70.9140.6173.629.5-33.2000110.7Q531 L532 Y533P518-Q531 HydrophobicContact CB-CG 3.99Å; P518-L532 CarbonylContact C-O 3.58Å; P518-L532 WeakPolarHBondContact CA-O 3.47Å; P518-Y533 HydrophobicContact CB-CD1 4.22Å; P518-Y533 HydrophobicContact CB-CE1 3.95Å
519V83.5Confident79.3Confident44 Ų4470.1 Ų70.127%0.26741%0.413SS..EExtended strand (participates in β ladder)trans-132.4115.9177.3-176.60000108.1F521 L532 V534 Y551V519-F521 HydrophobicContact CB-CE2 3.91Å; V519-F521 HydrophobicContact CG1-CD2 4.21Å; V519-F521 HydrophobicContact CG1-CE2 3.51Å; V519-F521 HydrophobicContact CG1-CZ 3.78Å; V519-F521 WeakPolarHBondContact O-CD2 3.36Å; V519-F521 PolarHBondContact O-N 2.86Å; V519-L532 PolarHBondContact N-O 2.86Å; V519-L532 PolarHBondContact O-N 2.82Å; V519-V534 HydrophobicContact CG2-CG2 3.99Å; V519-Y551 HydrophobicContact CB-CE1 4.32Å; V519-Y551 HydrophobicContact CG1-CE1 4.25Å; V519-Y551 HydrophobicContact CG2-CE1 4.2Å
520D82.2Confident79.3Confident76 Ų7672.3 Ų72.341%0.40643%0.427SS..EExtended strand (participates in β ladder)trans-80.2113.9177.7-82.812000110.5K529 Q531D520-K529 WeakPolarHBondContact OD2-CE 3.32Å; D520-K529 IonicContact OD2-NZ 2.68Å; D520-K529 PolarHBondContact OD2-NZ 2.98Å; D520-Q531 PolarHBondContact OD1-NE2 3.27Å
521F75.8Confident79.6Confident73 Ų7375.5 Ų75.532%0.3244%0.436SS..EExtended strand (participates in β ladder)trans-95.6158.2165.7-65.7-91.9000110.4V519 K529 V530 L532 Y551V519-F521 HydrophobicContact CB-CE2 3.91Å; V519-F521 HydrophobicContact CG1-CD2 4.21Å; V519-F521 HydrophobicContact CG1-CE2 3.51Å; V519-F521 HydrophobicContact CG1-CZ 3.78Å; V519-F521 WeakPolarHBondContact O-CD2 3.36Å; V519-F521 PolarHBondContact O-N 2.86Å; F521-K529 CarbonylContact O-C 3.55Å; F521-K529 VanDerWaalsContact O-CA 3.29Å; F521-K529 WeakPolarHBondContact O-CA 3.32Å; F521-V530 WeakPolarHBondContact CB-O 3.4Å; F521-V530 PolarHBondContact N-O 3.19Å; F521-V530 PolarHBondContact O-N 2.83Å; F521-L532 HydrophobicContact CD2-CB 4.14Å; F521-L532 HydrophobicContact CD2-CD1 3.8Å; F521-L532 HydrophobicContact CD2-CG 3.94Å; F521-L532 HydrophobicContact CE2-CB 4.03Å; F521-L532 HydrophobicContact CE2-CD1 3.87Å; F521-L532 HydrophobicContact CE2-CG 4.21Å; F521-Y551 AromaticContact CE2-CD1 3.8Å; F521-Y551 HydrophobicContact CE2-CD1 3.8Å; F521-Y551 AromaticContact CE2-CE1 3.96Å; F521-Y551 HydrophobicContact CE2-CE1 3.96Å; F521-Y551 HydrophobicContact CE2-CG 4.18Å; F521-Y551 AromaticContact CZ-CD1 3.83Å; F521-Y551 HydrophobicContact CZ-CD1 3.83Å; F521-Y551 HydrophobicContact CZ-CD2 4.13Å; F521-Y551 AromaticContact CZ-CE1 3.61Å; F521-Y551 HydrophobicContact CZ-CE1 3.61Å; F521-Y551 AromaticContact CZ-CE2 3.93Å; F521-Y551 HydrophobicContact CZ-CE2 3.93Å; F521-Y551 HydrophobicContact CZ-CG 4.1Å; F521-Y551 AromaticContact CZ-CZ 3.68Å
522I76.5Confident79.8Confident123 Ų12373.7 Ų73.763%0.63142%0.42SS*.EExtended strand (participates in β ladder)trans-112.8119.5166.8-58.5175000106.5S524I522-S524 PolarHBondContact O-N 3.45Å
523D68.2Low79.8Confident44 Ų4475.4 Ų75.424%0.23542%0.424CS..  trans-67.7119.7173.8166.532.6000109.6N525 T526 G527 N528 V530D523-N525 PolarHBondContact O-N 3.24Å; D523-N525 VanDerWaalsContact O-N 3.16Å; D523-N525 WeakPolarHBondContact OD1-CB 3.33Å; D523-N525 PolarHBondContact OD1-N 2.92Å; D523-N525 PolarHBondContact OD1-ND2 2.87Å; D523-T526 PolarHBondContact O-N 3.32Å; D523-T526 VanDerWaalsContact OD2-CB 3.25Å; D523-T526 WeakPolarHBondContact OD2-CB 3.46Å; D523-T526 VanDerWaalsContact OD2-CG2 3.27Å; D523-T526 WeakPolarHBondContact OD2-CG2 3.31Å; D523-T526 PolarHBondContact OD2-N 2.69Å; D523-T526 PolarHBondContact OD2-OG1 2.8Å; D523-G527 VanDerWaalsContact O-CA 3.31Å; D523-G527 WeakPolarHBondContact O-CA 3.4Å; D523-G527 PolarHBondContact O-N 2.88Å; D523-N528 PolarHBondContact N-O 3.36Å; D523-V530 HydrophobicContact CB-CG2 4.18Å
524S69.3Low79.8Confident116 Ų11671.7 Ų71.781%0.81141%0.406SS*.THydrogen-bonded Turntrans-64-17.7-179.854.50000113.8I522I522-S524 PolarHBondContact O-N 3.45Å
525N65.5Low79.9Confident143 Ų14370.6 Ų70.677%0.76540%0.399SS*.THydrogen-bonded Turntrans-91-37.9-177.8-54.9-78.2000113D523D523-N525 PolarHBondContact O-N 3.24Å; D523-N525 VanDerWaalsContact O-N 3.16Å; D523-N525 WeakPolarHBondContact OD1-CB 3.33Å; D523-N525 PolarHBondContact OD1-N 2.92Å; D523-N525 PolarHBondContact OD1-ND2 2.87Å
526T73Confident80Confident87 Ų8769.7 Ų69.753%0.53439%0.39SS..THydrogen-bonded Turntrans-111.2-13.1-177.665.60000114.7D523 N528D523-T526 PolarHBondContact O-N 3.32Å; D523-T526 VanDerWaalsContact OD2-CB 3.25Å; D523-T526 WeakPolarHBondContact OD2-CB 3.46Å; D523-T526 VanDerWaalsContact OD2-CG2 3.27Å; D523-T526 WeakPolarHBondContact OD2-CG2 3.31Å; D523-T526 PolarHBondContact OD2-N 2.69Å; D523-T526 PolarHBondContact OD2-OG1 2.8Å; T526-N528 VanDerWaalsContact CB-ND2 3.27Å; T526-N528 WeakPolarHBondContact CB-ND2 3.43Å; T526-N528 PolarHBondContact O-N 2.93Å; T526-N528 WeakPolarHBondContact OG1-CB 3.14Å; T526-N528 PolarHBondContact OG1-N 3.48Å; T526-N528 PolarHBondContact OG1-ND2 3.42Å
527G71.6Confident80Confident56 Ų5668.4 Ų68.458%0.57738%0.38SS*.  trans71.7-0.4-173.400000114.4D523D523-G527 VanDerWaalsContact O-CA 3.31Å; D523-G527 WeakPolarHBondContact O-CA 3.4Å; D523-G527 PolarHBondContact O-N 2.88Å
528N72.7Confident80.1Confident102 Ų10268.6 Ų68.655%0.54538%0.376SS..  trans-72.6145.2179.8-69.2-53.7000111.3D523 T526 V530D523-N528 PolarHBondContact N-O 3.36Å; T526-N528 VanDerWaalsContact CB-ND2 3.27Å; T526-N528 WeakPolarHBondContact CB-ND2 3.43Å; T526-N528 PolarHBondContact O-N 2.93Å; T526-N528 WeakPolarHBondContact OG1-CB 3.14Å; T526-N528 PolarHBondContact OG1-N 3.48Å; T526-N528 PolarHBondContact OG1-ND2 3.42Å; N528-V530 PolarHBondContact O-N 3.39Å
529K77.1Confident80Confident146 Ų14665.2 Ų65.264%0.63535%0.354SS*.EExtended strand (participates in β ladder)trans-69.5127.4164.7-81.9-168.5165.4-160.50110.1D520 F521D520-K529 WeakPolarHBondContact OD2-CE 3.32Å; D520-K529 IonicContact OD2-NZ 2.68Å; D520-K529 PolarHBondContact OD2-NZ 2.98Å; F521-K529 CarbonylContact O-C 3.55Å; F521-K529 VanDerWaalsContact O-CA 3.29Å; F521-K529 WeakPolarHBondContact O-CA 3.32Å
530V77.3Confident79.9Confident60 Ų6065.7 Ų65.736%0.36436%0.358SS..EExtended strand (participates in β ladder)trans-117106.1171.7-179.50000107.2F521 D523 N528 L532F521-V530 WeakPolarHBondContact CB-O 3.4Å; F521-V530 PolarHBondContact N-O 3.19Å; F521-V530 PolarHBondContact O-N 2.83Å; D523-V530 HydrophobicContact CB-CG2 4.18Å; N528-V530 PolarHBondContact O-N 3.39Å; V530-L532 HydrophobicContact CG1-CD2 4.01Å; V530-L532 HydrophobicContact CG1-CG 4.28Å
531Q82.6Confident79.7Confident89 Ų8969.5 Ų69.542%0.41637%0.371SS..EExtended strand (participates in β ladder)trans-83125175.6-173.3169.294.200109.7P518 D520 Y533P518-Q531 HydrophobicContact CB-CG 3.99Å; D520-Q531 PolarHBondContact OD1-NE2 3.27Å; Q531-Y533 PolarHBondContact OE1-OH 3.15Å
532L85.6Confident79.8Confident37 Ų3769.2 Ų69.219%0.19437%0.373CS..EExtended strand (participates in β ladder)trans-117.3171.6172.3-56.6178.6000109.7P518 V519 F521 V530 Y551 Y552 L553P518-L532 CarbonylContact C-O 3.58Å; P518-L532 WeakPolarHBondContact CA-O 3.47Å; V519-L532 PolarHBondContact N-O 2.86Å; V519-L532 PolarHBondContact O-N 2.82Å; F521-L532 HydrophobicContact CD2-CB 4.14Å; F521-L532 HydrophobicContact CD2-CD1 3.8Å; F521-L532 HydrophobicContact CD2-CG 3.94Å; F521-L532 HydrophobicContact CE2-CB 4.03Å; F521-L532 HydrophobicContact CE2-CD1 3.87Å; F521-L532 HydrophobicContact CE2-CG 4.21Å; V530-L532 HydrophobicContact CG1-CD2 4.01Å; V530-L532 HydrophobicContact CG1-CG 4.28Å; L532-Y551 HydrophobicContact CD1-CG 4.44Å; L532-Y552 CarbonylContact C-O 3.58Å; L532-Y552 WeakPolarHBondContact CA-O 3.44Å; L532-L553 HydrophobicContact CD2-CD1 3.85Å
533Y85.8Confident80Confident55 Ų5571 Ų7122%0.21638%0.378CS..EExtended strand (participates in β ladder)trans-124.5134.7-176.1-63.7-90.1000112A516 I517 P518 Q531 Y551 Y552A516-Y533 HydrophobicContact CB-CD1 4.22Å; I517-Y533 WeakPolarHBondContact O-CA 3.44Å; P518-Y533 HydrophobicContact CB-CD1 4.22Å; P518-Y533 HydrophobicContact CB-CE1 3.95Å; Q531-Y533 PolarHBondContact OE1-OH 3.15Å; Y533-Y551 WeakPolarHBondContact O-CA 3.5Å; Y533-Y552 PolarHBondContact N-O 3.23Å; Y533-Y552 PolarHBondContact O-N 2.79Å
534V88.3Confident80.8Confident21 Ų2171.6 Ų71.613%0.12738%0.379CS..EExtended strand (participates in β ladder)trans-100.1125.8165.5177.70000108A516 I517 V519 N547 Y551A516-V534 CarbonylContact C-O 3.57Å; A516-V534 WeakPolarHBondContact CA-O 3.38Å; I517-V534 PolarHBondContact N-O 2.6Å; I517-V534 PolarHBondContact O-N 2.72Å; V519-V534 HydrophobicContact CG2-CG2 3.99Å; V534-N547 HydrophobicContact CG1-CB 4.37Å; V534-Y551 HydrophobicContact CG2-CD1 3.42Å; V534-Y551 VanDerWaalsContact CG2-CD1 3.42Å; V534-Y551 HydrophobicContact CG2-CE1 3.33Å
535G88.6Confident81.6Confident0 Ų073.5 Ų73.50%037%0.369CS..EExtended strand (participates in β ladder)trans-80.5149.417700000111.6N547 T548 A558G535-N547 CarbonylContact O-C 3.52Å; G535-N547 VanDerWaalsContact O-CA 3.25Å; G535-N547 WeakPolarHBondContact O-CA 3.47Å; G535-T548 PolarHBondContact N-OG1 2.58Å; G535-T548 PolarHBondContact O-N 3.44Å; G535-A558 WeakPolarHBondContact CA-O 3.27Å
536Q91.2Very high82.5Confident21 Ų2167.3 Ų67.310%0.09834%0.336CS..EExtended strand (participates in β ladder)trans-141.3136.9174.1169.6171.8106.100111S515 R545 C546 N547S515-Q536 PolarHBondContact N-O 3.46Å; S515-Q536 PolarHBondContact O-N 2.78Å; S515-Q536 PolarHBondContact OG-O 2.75Å; Q536-R545 VanDerWaalsContact CD-NE 3.27Å; Q536-R545 HydrophobicContact CG-CG 4.34Å; Q536-R545 VanDerWaalsContact OE1-NE 3.14Å; Q536-C546 VanDerWaalsContact CA-O 3.29Å; Q536-C546 WeakPolarHBondContact CA-O 3.12Å; Q536-N547 PolarHBondContact NE2-OD1 2.93Å
537V90.6Very high83.3Confident0 Ų067.3 Ų67.30%033%0.333CS..EExtended strand (participates in β ladder)trans-116.1141.8167.2-178.30000109.3L500 P512 I513 C514 I539 R545 C546 A562 A566L500-V537 HydrophobicContact CD2-CG1 4.15Å; L500-V537 HydrophobicContact CD2-CG2 4.44Å; P512-V537 HydrophobicContact CB-CG1 4.08Å; I513-V537 WeakPolarHBondContact O-CA 3.48Å; C514-V537 HydrophobicContact CB-CG2 4.43Å; V537-I539 HydrophobicContact CG1-CG1 4.13Å; V537-R545 VanDerWaalsContact O-CA 3.32Å; V537-R545 WeakPolarHBondContact O-CA 3.34Å; V537-C546 PolarHBondContact N-O 2.84Å; V537-C546 PolarHBondContact O-N 2.61Å; V537-C546 VanDerWaalsContact O-N 3.08Å; V537-A562 HydrophobicContact CG2-CB 3.73Å; V537-A562 WeakPolarHBondContact CG2-O 3.43Å; V537-A566 HydrophobicContact CB-CB 4.15Å; V537-A566 HydrophobicContact CG1-CB 4.13Å; V537-A566 HydrophobicContact CG2-CB 4.2Å
538Y89.9Confident84Confident77 Ų7765.1 Ų65.130%0.30231%0.308SS..EExtended strand (participates in β ladder)trans-128.6129.8167.6175-113.6000110.4I513 P540 F544 R545I513-Y538 HydrophobicContact CD1-CD1 4.34Å; I513-Y538 PolarHBondContact N-O 3.04Å; I513-Y538 PolarHBondContact O-N 3.18Å; I513-Y538 VanDerWaalsContact O-N 3.09Å; Y538-P540 HydrophobicContact CD1-CG 4.17Å; Y538-P540 HydrophobicContact CE1-CB 4.08Å; Y538-P540 HydrophobicContact CE1-CG 3.94Å; Y538-F544 WeakPolarHBondContact CA-O 3.22Å; Y538-F544 WeakPolarHBondContact CD2-O 3Å; Y538-R545 HydrophobicContact CD2-CB 4.2Å; Y538-R545 HydrophobicContact CD2-CG 4.32Å
539I86.1Confident84.3Confident0 Ų065.7 Ų65.70%032%0.32CS..EExtended strand (participates in β ladder)trans-112.1103.7179.6-55.8176.1000108.2L509 P512 V537 K541 L542 Q543 F544 L570L509-I539 HydrophobicContact CB-CG2 3.96Å; P512-I539 HydrophobicContact CB-CG1 4.24Å; V537-I539 HydrophobicContact CG1-CG1 4.13Å; I539-K541 PolarHBondContact O-N 3.03Å; I539-L542 HydrophobicContact CD1-CD1 4.49Å; I539-L542 HydrophobicContact CG2-CB 4.39Å; I539-L542 HydrophobicContact CG2-CD1 4.1Å; I539-L542 HydrophobicContact CG2-CG 4.27Å; I539-L542 PolarHBondContact O-N 2.78Å; I539-Q543 PolarHBondContact O-N 2.93Å; I539-F544 HydrophobicContact CB-CB 4.46Å; I539-F544 HydrophobicContact CD1-CD1 4.03Å; I539-F544 HydrophobicContact CG1-CD1 4.41Å; I539-F544 PolarHBondContact N-O 3.2Å; I539-L570 HydrophobicContact CD1-CD1 3.98Å; I539-L570 HydrophobicContact CD1-CD2 3.89Å; I539-L570 HydrophobicContact CD1-CG 4.25Å
540P79.7Confident84.5Confident54 Ų5466.9 Ų66.935%0.35132%0.321SS..G310 helixtrans-57.2-42.9-163.8-29.635.8000116I513 Y538 Q543I513-P540 HydrophobicContact CD1-CG 4.39Å; Y538-P540 HydrophobicContact CD1-CG 4.17Å; Y538-P540 HydrophobicContact CE1-CB 4.08Å; Y538-P540 HydrophobicContact CE1-CG 3.94Å; P540-Q543 PolarHBondContact O-N 2.93Å
541K78.8Confident84.8Confident155 Ų15570.1 Ų70.167%0.67433%0.327SS*.G310 helixtrans-74.8-24.6-176.4-65.6-172.1-173.6178.80114.4G508 L509 I539G508-K541 VanDerWaalsContact O-CD 3.31Å; G508-K541 WeakPolarHBondContact O-CD 3.3Å; G508-K541 WeakPolarHBondContact O-CE 3.44Å; G508-K541 PolarHBondContact O-NZ 3.49Å; L509-K541 VanDerWaalsContact O-CB 3.3Å; L509-K541 WeakPolarHBondContact O-CB 3.39Å; L509-K541 VanDerWaalsContact O-CG 3.26Å; L509-K541 WeakPolarHBondContact O-CG 3.37Å; I539-K541 PolarHBondContact O-N 3.03Å
542L78.6Confident84.9Confident68 Ų6868.7 Ų68.736%0.35632%0.318SS..G310 helixtrans-87.3-11.7175.3-67.9176.9000112.6L509 I539 F544 L570 F572L509-L542 HydrophobicContact CD1-CD1 3.96Å; L509-L542 HydrophobicContact CD2-CD1 4.22Å; L509-L542 HydrophobicContact CD2-CD2 4.06Å; L509-L542 HydrophobicContact CD2-CG 4.07Å; I539-L542 HydrophobicContact CD1-CD1 4.49Å; I539-L542 HydrophobicContact CG2-CB 4.39Å; I539-L542 HydrophobicContact CG2-CD1 4.1Å; I539-L542 HydrophobicContact CG2-CG 4.27Å; I539-L542 PolarHBondContact O-N 2.78Å; L542-F544 HydrophobicContact CB-CB 3.74Å; L542-F544 HydrophobicContact CD1-CB 4.37Å; L542-F544 PolarHBondContact O-N 3.11Å; L542-L570 HydrophobicContact CD1-CD2 3.35Å; L542-F572 HydrophobicContact CD1-CE2 4.12Å; L542-F572 HydrophobicContact CD2-CE2 4.3Å; L542-F572 HydrophobicContact CD2-CZ 4.42Å
543Q80.8Confident84.6Confident160 Ų16072 Ų7275%0.74834%0.336SS*.THydrogen-bonded Turntrans51.813.7-160.1-58.7-172.4-12.100113.8I539 P540I539-Q543 PolarHBondContact O-N 2.93Å; P540-Q543 PolarHBondContact O-N 2.93Å
544F83.2Confident84.5Confident56 Ų5672.1 Ų72.125%0.24634%0.342CS..EExtended strand (participates in β ladder)trans-71.2134.4-176.1178-95000110.5Y538 I539 L542 C546 A566Y538-F544 WeakPolarHBondContact CA-O 3.22Å; Y538-F544 WeakPolarHBondContact CD2-O 3Å; I539-F544 HydrophobicContact CB-CB 4.46Å; I539-F544 HydrophobicContact CD1-CD1 4.03Å; I539-F544 HydrophobicContact CG1-CD1 4.41Å; I539-F544 PolarHBondContact N-O 3.2Å; L542-F544 HydrophobicContact CB-CB 3.74Å; L542-F544 HydrophobicContact CD1-CB 4.37Å; L542-F544 PolarHBondContact O-N 3.11Å; F544-C546 HydrophobicContact CE1-CB 3.79Å; F544-C546 HydrophobicContact CZ-CB 3.78Å; F544-A566 HydrophobicContact CE1-CB 4.4Å
545R86.6Confident84.4Confident157 Ų15773.4 Ų73.459%0.59235%0.353SS*.EExtended strand (participates in β ladder)trans-140.7125.9179.5-160.8178.1-161.4165.24.7110Q536 V537 Y538Q536-R545 VanDerWaalsContact CD-NE 3.27Å; Q536-R545 HydrophobicContact CG-CG 4.34Å; Q536-R545 VanDerWaalsContact OE1-NE 3.14Å; V537-R545 VanDerWaalsContact O-CA 3.32Å; V537-R545 WeakPolarHBondContact O-CA 3.34Å; Y538-R545 HydrophobicContact CD2-CB 4.2Å; Y538-R545 HydrophobicContact CD2-CG 4.32Å
546C85.7Confident84.2Confident13 Ų1377.3 Ų77.39%0.08838%0.376CS..EExtended strand (participates in β ladder)trans-125.7152.717367.20000111.1Q536 V537 F544 I565Q536-C546 VanDerWaalsContact CA-O 3.29Å; Q536-C546 WeakPolarHBondContact CA-O 3.12Å; V537-C546 PolarHBondContact N-O 2.84Å; V537-C546 PolarHBondContact O-N 2.61Å; V537-C546 VanDerWaalsContact O-N 3.08Å; F544-C546 HydrophobicContact CE1-CB 3.79Å; F544-C546 HydrophobicContact CZ-CB 3.78Å; C546-I565 HydrophobicContact CB-CG2 3.96Å
547N88.1Confident83.8Confident87 Ų8778.5 Ų78.547%0.46538%0.382SS..EExtended strand (participates in β ladder)trans-124.6153.6175.7-60.4-15.7000109V534 G535 Q536V534-N547 HydrophobicContact CG1-CB 4.37Å; G535-N547 CarbonylContact O-C 3.52Å; G535-N547 VanDerWaalsContact O-CA 3.25Å; G535-N547 WeakPolarHBondContact O-CA 3.47Å; Q536-N547 PolarHBondContact NE2-OD1 2.93Å
548T86.1Confident83.6Confident9 Ų978.5 Ų78.56%0.05538%0.382CS..  trans-74.2133.9173.360.40000112G535 R550 Y552 A562 I565G535-T548 PolarHBondContact N-OG1 2.58Å; G535-T548 PolarHBondContact O-N 3.44Å; T548-R550 WeakPolarHBondContact CB-O 3.16Å; T548-R550 PolarHBondContact O-N 2.84Å; T548-R550 PolarHBondContact OG1-O 2.89Å; T548-Y552 HydrophobicContact CG2-CE2 3.75Å; T548-A562 HydrophobicContact CG2-CB 3.84Å; T548-A562 VanDerWaalsContact CG2-N 3.32Å; T548-I565 HydrophobicContact CG2-CD1 4.14Å
549S79.9Confident83.6Confident114 Ų11478.5 Ų78.580%0.79738%0.383SS*.SBendtrans-75.4-7.917256.50000113.6
550R81.8Confident83.6Confident172 Ų17279.7 Ų79.765%0.64939%0.39SS*.SBendtrans-116.5153.1175.7-63.1-174.4-178.5-136.91.1111T548 Y552T548-R550 WeakPolarHBondContact CB-O 3.16Å; T548-R550 PolarHBondContact O-N 2.84Å; T548-R550 PolarHBondContact OG1-O 2.89Å; R550-Y552 HydrophobicContact CB-CE2 4.2Å; R550-Y552 WeakPolarHBondContact O-CD2 3.45Å; R550-Y552 WeakPolarHBondContact O-CE2 3.38Å
551Y83.8Confident83.7Confident127 Ų12777.4 Ų77.450%0.49838%0.376SS..  trans-92.4140.8170.1-58.9-82.9000110.1V519 F521 L532 Y533 V534V519-Y551 HydrophobicContact CB-CE1 4.32Å; V519-Y551 HydrophobicContact CG1-CE1 4.25Å; V519-Y551 HydrophobicContact CG2-CE1 4.2Å; F521-Y551 AromaticContact CE2-CD1 3.8Å; F521-Y551 HydrophobicContact CE2-CD1 3.8Å; F521-Y551 AromaticContact CE2-CE1 3.96Å; F521-Y551 HydrophobicContact CE2-CE1 3.96Å; F521-Y551 HydrophobicContact CE2-CG 4.18Å; F521-Y551 AromaticContact CZ-CD1 3.83Å; F521-Y551 HydrophobicContact CZ-CD1 3.83Å; F521-Y551 HydrophobicContact CZ-CD2 4.13Å; F521-Y551 AromaticContact CZ-CE1 3.61Å; F521-Y551 HydrophobicContact CZ-CE1 3.61Å; F521-Y551 AromaticContact CZ-CE2 3.93Å; F521-Y551 HydrophobicContact CZ-CE2 3.93Å; F521-Y551 HydrophobicContact CZ-CG 4.1Å; F521-Y551 AromaticContact CZ-CZ 3.68Å; L532-Y551 HydrophobicContact CD1-CG 4.44Å; Y533-Y551 WeakPolarHBondContact O-CA 3.5Å; V534-Y551 HydrophobicContact CG2-CD1 3.42Å; V534-Y551 VanDerWaalsContact CG2-CD1 3.42Å; V534-Y551 HydrophobicContact CG2-CE1 3.33Å
552Y85Confident84.2Confident59 Ų5970 Ų7023%0.23134%0.344CS..BIsolated β-bridgetrans-118.2154.5-178.9-62.3-97.3000111.4L532 Y533 T548 R550 T554 E557 A558L532-Y552 CarbonylContact C-O 3.58Å; L532-Y552 WeakPolarHBondContact CA-O 3.44Å; Y533-Y552 PolarHBondContact N-O 3.23Å; Y533-Y552 PolarHBondContact O-N 2.79Å; T548-Y552 HydrophobicContact CG2-CE2 3.75Å; R550-Y552 HydrophobicContact CB-CE2 4.2Å; R550-Y552 WeakPolarHBondContact O-CD2 3.45Å; R550-Y552 WeakPolarHBondContact O-CE2 3.38Å; Y552-T554 VanDerWaalsContact C-N 3.35Å; Y552-E557 HydrophobicContact CD1-CB 3.7Å; Y552-E557 HydrophobicContact CG-CB 4.18Å; Y552-A558 HydrophobicContact CD2-CB 4.03Å; Y552-A558 HydrophobicContact CG-CB 4.26Å
553L78.9Confident84.6Confident107 Ų10766.8 Ų66.856%0.5633%0.327SS*.SBendtrans-77.8-23-179.2-16466.2000112.3L532L532-L553 HydrophobicContact CD2-CD1 3.85Å
554T83.6Confident84.8Confident57 Ų5763.3 Ų63.335%0.3531%0.311SS..SBendtrans-127.3151.1177.268.40000112.3Y552 T556 E557 A558Y552-T554 VanDerWaalsContact C-N 3.35Å; T554-T556 PolarHBondContact O-N 2.96Å; T554-E557 WeakPolarHBondContact CB-OE2 3.39Å; T554-E557 PolarHBondContact N-OE2 2.98Å; T554-E557 PolarHBondContact O-N 3.26Å; T554-E557 WeakPolarHBondContact OG1-CB 3.31Å; T554-E557 WeakPolarHBondContact OG1-CG 3.27Å; T554-E557 PolarHBondContact OG1-N 2.94Å; T554-E557 PolarHBondContact OG1-OE2 2.84Å; T554-A558 PolarHBondContact O-N 3.4Å; T554-A558 VanDerWaalsContact O-N 3.1Å
555S86.3Confident84.8Confident49 Ų4962.6 Ų62.634%0.34331%0.309SS..Hα-helixtrans-65.4-25.8175.358.50000113.1K559S555-K559 WeakPolarHBondContact O-CG 3.26Å; S555-K559 PolarHBondContact O-N 3.25Å
556T84.7Confident84.7Confident82 Ų8255.1 Ų55.150%0.50328%0.281SS..Hα-helixtrans-70.5-49.7174.9-45.60000111.4T554 A558 K559 L560T554-T556 PolarHBondContact O-N 2.96Å; T556-A558 VanDerWaalsContact C-N 3.26Å; T556-A558 PolarHBondContact O-N 3.43Å; T556-K559 PolarHBondContact O-N 2.85Å; T556-L560 HydrophobicContact CG2-CD1 4.38Å; T556-L560 WeakPolarHBondContact O-CG 3.37Å; T556-L560 PolarHBondContact O-N 3.32Å
557E81.9Confident84.6Confident46 Ų4656.9 Ų56.922%0.21529%0.289CS..Hα-helixtrans-60.7-37.6175.7-68.4162.8139.500111.3K485 Y552 T554 L560 G561K485-E557 WeakPolarHBondContact CE-OE1 3.33Å; K485-E557 IonicContact NZ-OE1 2.78Å; K485-E557 PolarHBondContact NZ-OE1 3.26Å; Y552-E557 HydrophobicContact CD1-CB 3.7Å; Y552-E557 HydrophobicContact CG-CB 4.18Å; T554-E557 WeakPolarHBondContact CB-OE2 3.39Å; T554-E557 PolarHBondContact N-OE2 2.98Å; T554-E557 PolarHBondContact O-N 3.26Å; T554-E557 WeakPolarHBondContact OG1-CB 3.31Å; T554-E557 WeakPolarHBondContact OG1-CG 3.27Å; T554-E557 PolarHBondContact OG1-N 2.94Å; T554-E557 PolarHBondContact OG1-OE2 2.84Å; E557-L560 PolarHBondContact O-N 3.37Å; E557-G561 PolarHBondContact O-N 2.99Å
558A86Confident84.3Confident0 Ų059.3 Ų59.30%030%0.297CS..Hα-helixtrans-60.2-49.4173.700000112.7A516 G535 Y552 T554 T556 L560 G561 A562A516-A558 HydrophobicContact CB-CB 4.04Å; G535-A558 WeakPolarHBondContact CA-O 3.27Å; Y552-A558 HydrophobicContact CD2-CB 4.03Å; Y552-A558 HydrophobicContact CG-CB 4.26Å; T554-A558 PolarHBondContact O-N 3.4Å; T554-A558 VanDerWaalsContact O-N 3.1Å; T556-A558 VanDerWaalsContact C-N 3.26Å; T556-A558 PolarHBondContact O-N 3.43Å; A558-L560 VanDerWaalsContact C-N 3.3Å; A558-L560 PolarHBondContact O-N 2.71Å; A558-G561 PolarHBondContact O-N 3.29Å; A558-A562 WeakPolarHBondContact O-CB 3.36Å; A558-A562 PolarHBondContact O-N 3.11Å
559K89.1Confident84Confident76 Ų7661.7 Ų61.733%0.3331%0.314SS..Hα-helixtrans-60.5-38.6176.9-76.9176.1177.3-164.90112.6L497 C514 A516 S555 T556 A562 S563L497-K559 HydrophobicContact CD1-CB 4.17Å; C514-K559 HydrophobicContact CB-CG 4.44Å; C514-K559 WeakPolarHBondContact O-CE 3.39Å; C514-K559 PolarHBondContact O-NZ 2.81Å; A516-K559 HydrophobicContact CB-CG 4.34Å; S555-K559 WeakPolarHBondContact O-CG 3.26Å; S555-K559 PolarHBondContact O-N 3.25Å; T556-K559 PolarHBondContact O-N 2.85Å; K559-A562 PolarHBondContact O-N 3.28Å; K559-S563 WeakPolarHBondContact O-CB 3.47Å; K559-S563 PolarHBondContact O-N 3.42Å; K559-S563 PolarHBondContact O-OG 2.97Å
560L86.5Confident83.7Confident26 Ų2657 Ų5714%0.13628%0.28CS..Hα-helixtrans-66.8-48.1178.1-69.3172.3000111.7P493 L496 L497 T556 E557 A558 A562 S563 E564P493-L560 HydrophobicContact CB-CD1 3.96Å; P493-L560 WeakPolarHBondContact O-CD2 3.44Å; L496-L560 HydrophobicContact CB-CD2 4.07Å; L497-L560 HydrophobicContact CB-CD2 4.41Å; L497-L560 HydrophobicContact CD1-CD2 3.83Å; T556-L560 HydrophobicContact CG2-CD1 4.38Å; T556-L560 WeakPolarHBondContact O-CG 3.37Å; T556-L560 PolarHBondContact O-N 3.32Å; E557-L560 PolarHBondContact O-N 3.37Å; A558-L560 VanDerWaalsContact C-N 3.3Å; A558-L560 PolarHBondContact O-N 2.71Å; L560-A562 VanDerWaalsContact C-N 3.27Å; L560-A562 PolarHBondContact O-N 3.11Å; L560-S563 PolarHBondContact O-N 3.34Å; L560-S563 VanDerWaalsContact O-N 3.1Å; L560-E564 PolarHBondContact O-N 3.31Å
561G83.4Confident82.6Confident5 Ų554.5 Ų54.55%0.05229%0.286CS..Hα-helixtrans-61.4-33.717500000113.3E557 A558 I565E557-G561 PolarHBondContact O-N 2.99Å; A558-G561 PolarHBondContact O-N 3.29Å; G561-I565 VanDerWaalsContact O-CG1 3.32Å; G561-I565 WeakPolarHBondContact O-CG1 3.3Å; G561-I565 PolarHBondContact O-N 2.84Å; G561-I565 VanDerWaalsContact O-N 3.13Å
562A87.9Confident81.2Confident0 Ų052 Ų520%028%0.278CS..Hα-helixtrans-70.2-36.3174.400000112.3V537 T548 A558 K559 L560 I565 A566V537-A562 HydrophobicContact CG2-CB 3.73Å; V537-A562 WeakPolarHBondContact CG2-O 3.43Å; T548-A562 HydrophobicContact CG2-CB 3.84Å; T548-A562 VanDerWaalsContact CG2-N 3.32Å; A558-A562 WeakPolarHBondContact O-CB 3.36Å; A558-A562 PolarHBondContact O-N 3.11Å; K559-A562 PolarHBondContact O-N 3.28Å; L560-A562 VanDerWaalsContact C-N 3.27Å; L560-A562 PolarHBondContact O-N 3.11Å; A562-I565 PolarHBondContact O-N 3.31Å; A562-A566 WeakPolarHBondContact O-CB 3.37Å; A562-A566 PolarHBondContact O-N 3.46Å
563S86.8Confident78.9Confident0 Ų055 Ų550%030%0.298CS..Hα-helixtrans-70-38.3176.5-560000111.7L497 K559 L560 A566 I567L497-S563 WeakPolarHBondContact CD1-OG 3.33Å; K559-S563 WeakPolarHBondContact O-CB 3.47Å; K559-S563 PolarHBondContact O-N 3.42Å; K559-S563 PolarHBondContact O-OG 2.97Å; L560-S563 PolarHBondContact O-N 3.34Å; L560-S563 VanDerWaalsContact O-N 3.1Å; S563-A566 PolarHBondContact O-N 2.87Å; S563-I567 WeakPolarHBondContact O-CG1 3.45Å; S563-I567 PolarHBondContact O-N 3.19Å
564E84.8Confident76.7Confident88 Ų8853.8 Ų53.841%0.41130%0.297SS..Hα-helixtrans-59.1-49.8171.5-173-172.916700111.3L560 A566 I567 Q568L560-E564 PolarHBondContact O-N 3.31Å; E564-A566 VanDerWaalsContact C-N 3.31Å; E564-A566 PolarHBondContact O-N 2.9Å; E564-I567 PolarHBondContact O-N 3.49Å; E564-Q568 WeakPolarHBondContact O-CG 3.28Å; E564-Q568 PolarHBondContact O-N 3.01Å; E564-Q568 PolarHBondContact OE1-NE2 2.86Å
565I83.5Confident74.3Confident41 Ų4157.1 Ų57.121%0.2131%0.307CS..Hα-helixtrans-61.8-38.4176.3-67.8167.2000111.3C546 T548 G561 A562 Q568 S569C546-I565 HydrophobicContact CB-CG2 3.96Å; T548-I565 HydrophobicContact CG2-CD1 4.14Å; G561-I565 VanDerWaalsContact O-CG1 3.32Å; G561-I565 WeakPolarHBondContact O-CG1 3.3Å; G561-I565 PolarHBondContact O-N 2.84Å; G561-I565 VanDerWaalsContact O-N 3.13Å; A562-I565 PolarHBondContact O-N 3.31Å; I565-Q568 PolarHBondContact O-N 3.49Å; I565-S569 VanDerWaalsContact O-CB 3.27Å; I565-S569 WeakPolarHBondContact O-CB 3.49Å; I565-S569 PolarHBondContact O-N 3.49Å; I565-S569 PolarHBondContact O-OG 2.72Å
566A85.1Confident71.8Confident0 Ų059.3 Ų59.30%032%0.322CS..Hα-helixtrans-63.7-46175.900000112L500 V537 F544 A562 S563 E564 Q568 S569 L570L500-A566 HydrophobicContact CD1-CB 3.68Å; V537-A566 HydrophobicContact CB-CB 4.15Å; V537-A566 HydrophobicContact CG1-CB 4.13Å; V537-A566 HydrophobicContact CG2-CB 4.2Å; F544-A566 HydrophobicContact CE1-CB 4.4Å; A562-A566 WeakPolarHBondContact O-CB 3.37Å; A562-A566 PolarHBondContact O-N 3.46Å; S563-A566 PolarHBondContact O-N 2.87Å; E564-A566 VanDerWaalsContact C-N 3.31Å; E564-A566 PolarHBondContact O-N 2.9Å; A566-Q568 VanDerWaalsContact C-N 3.31Å; A566-Q568 PolarHBondContact O-N 2.73Å; A566-S569 PolarHBondContact O-N 3.34Å; A566-S569 VanDerWaalsContact O-N 3.16Å; A566-L570 VanDerWaalsContact O-CG 3.31Å; A566-L570 WeakPolarHBondContact O-CG 3.16Å; A566-L570 PolarHBondContact O-N 3.29Å; A566-L570 VanDerWaalsContact O-N 3.11Å
567I83.7Confident69.5Low50 Ų5059 Ų5926%0.25632%0.317SS..Hα-helixtrans-59.4-42.9174.8-66.8166.7000110.6L496 L500 S563 E564 S569L496-I567 HydrophobicContact CD2-CD1 3.86Å; L500-I567 HydrophobicContact CB-CD1 4.26Å; L500-I567 HydrophobicContact CB-CG1 4.34Å; L500-I567 HydrophobicContact CD1-CD1 4.48Å; L500-I567 HydrophobicContact CD1-CG1 3.71Å; S563-I567 WeakPolarHBondContact O-CG1 3.45Å; S563-I567 PolarHBondContact O-N 3.19Å; E564-I567 PolarHBondContact O-N 3.49Å; I567-S569 VanDerWaalsContact C-N 3.29Å; I567-S569 PolarHBondContact O-N 2.83Å
568Q81.6Confident67.1Low138 Ų13860.6 Ų60.665%0.64533%0.327SS*.Hα-helixtrans-70.2-20.4178.5-70.1171.68.200114.2E564 I565 A566E564-Q568 WeakPolarHBondContact O-CG 3.28Å; E564-Q568 PolarHBondContact O-N 3.01Å; E564-Q568 PolarHBondContact OE1-NE2 2.86Å; I565-Q568 PolarHBondContact O-N 3.49Å; A566-Q568 VanDerWaalsContact C-N 3.31Å; A566-Q568 PolarHBondContact O-N 2.73Å
569S79.7Confident64.5Low59 Ų5969 Ų6941%0.41337%0.366SS..Hα-helixtrans-100.4-11.4-176.9-55.80000114.1I565 A566 I567I565-S569 VanDerWaalsContact O-CB 3.27Å; I565-S569 WeakPolarHBondContact O-CB 3.49Å; I565-S569 PolarHBondContact O-N 3.49Å; I565-S569 PolarHBondContact O-OG 2.72Å; A566-S569 PolarHBondContact O-N 3.34Å; A566-S569 VanDerWaalsContact O-N 3.16Å; I567-S569 VanDerWaalsContact C-N 3.29Å; I567-S569 PolarHBondContact O-N 2.83Å
570L74.2Confident61.7Low14 Ų1468.1 Ų68.17%0.07337%0.373CS..  trans-77.3125.9-179.4-83.7168.7000110.3L503 L509 I539 L542 A566 F572L503-L570 HydrophobicContact CD2-CD1 3.93Å; L509-L570 HydrophobicContact CD1-CD2 4.26Å; I539-L570 HydrophobicContact CD1-CD1 3.98Å; I539-L570 HydrophobicContact CD1-CD2 3.89Å; I539-L570 HydrophobicContact CD1-CG 4.25Å; L542-L570 HydrophobicContact CD1-CD2 3.35Å; A566-L570 VanDerWaalsContact O-CG 3.31Å; A566-L570 WeakPolarHBondContact O-CG 3.16Å; A566-L570 PolarHBondContact O-N 3.29Å; A566-L570 VanDerWaalsContact O-N 3.11Å; L570-F572 HydrophobicContact CB-CD2 4.27Å; L570-F572 HydrophobicContact CD2-CD2 4.03Å; L570-F572 HydrophobicContact CD2-CE2 4.19Å; L570-F572 PolarHBondContact O-N 3.13Å
571P58.6Low59.1Low121 Ų12169.9 Ų69.979%0.78638%0.379SS*.  trans-76.519-17833.5-37.6000113.6
572F54.1Low56.5Low74 Ų7472.9 Ų72.933%0.32540%0.404SS..SBendtrans-93.5125.7-179-65.5-82.1000109.7L509 L542 L570 P574L509-F572 HydrophobicContact CD1-CD2 4.17Å; L509-F572 HydrophobicContact CD1-CE2 3.91Å; L509-F572 HydrophobicContact CD1-CZ 4.48Å; L509-F572 HydrophobicContact CD2-CE2 4.04Å; L509-F572 HydrophobicContact CD2-CZ 3.86Å; L542-F572 HydrophobicContact CD1-CE2 4.12Å; L542-F572 HydrophobicContact CD2-CE2 4.3Å; L542-F572 HydrophobicContact CD2-CZ 4.42Å; L570-F572 HydrophobicContact CB-CD2 4.27Å; L570-F572 HydrophobicContact CD2-CD2 4.03Å; L570-F572 HydrophobicContact CD2-CE2 4.19Å; L570-F572 PolarHBondContact O-N 3.13Å; F572-P574 VanDerWaalsContact O-CD 3.27Å; F572-P574 WeakPolarHBondContact O-CD 3.2Å; F572-P574 VanDerWaalsContact O-N 3.07Å
573N35.7Very low53.7Low122 Ų12278 Ų7865%0.65244%0.435SS*.  trans-54.8109.7-166-156.716000111.8F575N573-F575 PolarHBondContact O-N 2.96Å; N573-F575 WeakPolarHBondContact OD1-CD2 3.37Å
574P34.2Very low50.9Low82 Ų8283.6 Ų83.653%0.53247%0.474SS..  trans-77.926.2-168.130.9-35.3000114.2F572 S576F572-P574 VanDerWaalsContact O-CD 3.27Å; F572-P574 WeakPolarHBondContact O-CD 3.2Å; F572-P574 VanDerWaalsContact O-N 3.07Å; P574-S576 VanDerWaalsContact C-N 3.3Å; P574-S576 PolarHBondContact O-N 3.49Å
575F32.5Very low48.2Very low127 Ų12785 Ų8556%0.55748%0.476SS*.THydrogen-bonded Turntrans-8563.9-178.5-77.9-103.1000111.9I142 N573I142-F575 HydrophobicContact CD1-CE1 4.38Å; N573-F575 PolarHBondContact O-N 2.96Å; N573-F575 WeakPolarHBondContact OD1-CD2 3.37Å
576S34.8Very low45.5Very low95 Ų9589.6 Ų89.666%0.66451%0.507SS*.THydrogen-bonded Turntrans-159.8-10.5165-75.70000115.7P574P574-S576 VanDerWaalsContact C-N 3.3Å; P574-S576 PolarHBondContact O-N 3.49Å
577L34.7Very low42.8Very low76 Ų7694.9 Ų94.940%0.39854%0.535SS..  trans-114.47.8-174.7-72.1173.8000115N499 L503 E579N499-L577 HydrophobicContact CB-CD1 4.39Å; L503-L577 HydrophobicContact CD1-CD1 4.31Å; L577-E579 VanDerWaalsContact C-N 3.27Å; L577-E579 PolarHBondContact O-N 3.34Å
578N32.6Very low40.1Very low79 Ų7998.4 Ų98.442%0.42256%0.561SS.*THydrogen-bonded Turntrans-72.9-8.9-172.2-76-3.8000115.4A580 A582N578-A580 PolarHBondContact O-N 3.19Å; N578-A582 WeakPolarHBondContact O-CB 3.45Å
579E30.5Very low37.5Very low176 Ų17698.8 Ų98.882%0.82257%0.566SS**THydrogen-bonded Turntrans-71.8-5.4178.6-63.8-166.4152.700114.4L577L577-E579 VanDerWaalsContact C-N 3.27Å; L577-E579 PolarHBondContact O-N 3.34Å
580A30.7Very low34.9Very low57 Ų57101.3 Ų101.347%0.47157%0.574SS.*THydrogen-bonded Turntrans-117.1-19.6177.600000115.6L491 N578L491-A580 HydrophobicContact CD2-CB 4.31Å; N578-A580 PolarHBondContact O-N 3.19Å
581F31.7Very low32.7Very low63 Ų63105.3 Ų105.328%0.27660%0.602SS.*THydrogen-bonded Turntrans-117.3-14.6-168.8-73.8-91.3000115.3L491 L496 T583L491-F581 HydrophobicContact CD2-CD1 3.98Å; L491-F581 HydrophobicContact CD2-CD2 4.17Å; L491-F581 HydrophobicContact CD2-CE1 3.56Å; L491-F581 HydrophobicContact CD2-CE2 3.76Å; L491-F581 HydrophobicContact CD2-CG 4.27Å; L491-F581 HydrophobicContact CD2-CZ 3.44Å; L491-F581 VanDerWaalsContact CD2-CZ 3.44Å; L496-F581 HydrophobicContact CD1-CE1 4.46Å; L496-F581 HydrophobicContact CD2-CE1 3.93Å; L496-F581 HydrophobicContact CD2-CZ 3.75Å; L496-F581 HydrophobicContact CG-CE1 4.17Å; L496-F581 HydrophobicContact CG-CZ 3.99Å; F581-T583 PolarHBondContact O-N 3.38Å
582A29.7Very low31.2Very low68 Ų68106 Ų10656%0.56260%0.599SS**SBendtrans-75.37.2-169.800000115.6N578N578-A582 WeakPolarHBondContact O-CB 3.45Å
583T29.2Very low29.9Very low108 Ų108109.7 Ų109.766%0.66362%0.62SS**SBendtrans-127128.3176.152.50000111.9F581F581-T583 PolarHBondContact O-N 3.38Å
584S27Very low29.3Very low117 Ų117109.4 Ų109.482%0.81862%0.622SS**SBendtrans84.331.8166.6-33.10000119.2
585Y28.6Very low29Very low117 Ų117114 Ų11446%0.45964%0.637SS.*  trans-125.178.2172.8-69.2-74.8000114.8L491L491-Y585 HydrophobicContact CD1-CE2 4.15Å
586T27.2Very low28.5Very low138 Ų138112.9 Ų112.985%0.84764%0.64SS**  trans-134.790.9162.340.80000110.5
587L27.3Very low28.2Very low112 Ų112115.7 Ų115.759%0.58665%0.648SS**PPolyproline II helixtrans-85.2127.7172.1-71.1174.8000110.2L484 I589L484-L587 HydrophobicContact CD2-CD2 3.83Å; L587-I589 PolarHBondContact O-N 2.98Å
588P27Very low27.8Very low124 Ų124116.5 Ų116.581%0.80567%0.666SS**PPolyproline II helixtrans-69.3121.8178.527.6-33.4000110.8N590P588-N590 PolarHBondContact O-N 3.46Å
589I27.7Very low27.5Very low145 Ų145117 Ų11774%0.74468%0.681SS**PPolyproline II helixtrans-74.4118.7169.8-61.8174.4000107.8L587 P591L587-I589 PolarHBondContact O-N 2.98Å; I589-P591 WeakPolarHBondContact O-CD 3.39Å
590N25.2Very low27.3Very low112 Ų112118.4 Ų118.460%0.59968%0.684SS**PPolyproline II helixtrans-79.3116.1170.2-179.1-5.1000108.9P588 N592P588-N590 PolarHBondContact O-N 3.46Å; N590-N592 VanDerWaalsContact C-N 3.27Å; N590-N592 PolarHBondContact O-N 3.18Å; N590-N592 WeakPolarHBondContact OD1-CB 3.27Å; N590-N592 PolarHBondContact OD1-N 2.99Å; N590-N592 VanDerWaalsContact OD1-N 3.14Å
591P28.5Very low27Very low99 Ų99123.7 Ų123.764%0.64370%0.701SS**  trans-77.7-7.9-175.232.2-36.2000114I589 I593I589-P591 WeakPolarHBondContact O-CD 3.39Å; P591-I593 VanDerWaalsContact C-N 3.27Å; P591-I593 PolarHBondContact O-N 2.93Å
592N26.2Very low27Very low136 Ų136126.8 Ų126.873%0.72773%0.728SS**  trans-86.337.8-167.3-65.3-34000115N590N590-N592 VanDerWaalsContact C-N 3.27Å; N590-N592 PolarHBondContact O-N 3.18Å; N590-N592 WeakPolarHBondContact OD1-CB 3.27Å; N590-N592 PolarHBondContact OD1-N 2.99Å; N590-N592 VanDerWaalsContact OD1-N 3.14Å
593I27.9Very low26.8Very low150 Ų150130.6 Ų130.677%0.76974%0.738SS**  trans-125.180.3167.5-54.3-177.1000108.9P591P591-I593 VanDerWaalsContact C-N 3.27Å; P591-I593 PolarHBondContact O-N 2.93Å
594V23.1Very low27Very low116 Ų116131.4 Ų131.470%0.70375%0.745SS**  trans-83.3125.1164.8176.60000108.1
595H26.5Very low27.1Very low180 Ų180134 Ų13483%0.83375%0.749SS**  trans-141.7128149.9-112.4-71.7000110.8
596T23.4Very low27.1Very low102 Ų102132.7 Ų132.763%0.62676%0.757SS**  trans-75.1136178.850.40000111.2
597N27.2Very low27.3Very low154 Ų154133 Ų13382%0.82475%0.754SS**  -179.9143.6120.4-89.1-17.8000114.3
598A26.2Very low27.4Very low94 Ų94134.2 Ų134.278%0.77776%0.761SS**  trans32.711315000000121.3
599A26.1Very low27.7Very low90 Ų90137.4 Ų137.474%0.74477%0.767SS**  trans43.8119.6132.100000120.9
600F27.4Very low27.8Very low205 Ų205134 Ų13490%0.89976%0.761SS**  -164.1129.1106.3-117.9-82.4000111.4
601M24.9Very low28.1Very low168 Ų168136.1 Ų136.183%0.82877%0.772SS**  trans-106136.8163.5-88-173.6165.900109.2
602P31.2Very low28.3Very low127 Ų127136.6 Ų136.683%0.82578%0.777SS**  trans-93105.9162.632.7-26.6000110.4
603L25.1Very low28.6Very low148 Ų148135.2 Ų135.278%0.77578%0.779SS**PPolyproline II helixtrans-78.8137.1163.8-70.1169.1000109.6L605L603-L605 PolarHBondContact O-N 3.49Å
604P32.6Very low28.9Very low126 Ų126134.6 Ų134.682%0.81878%0.782SS**PPolyproline II helixtrans-75118.6163.430-30.1000109.5
605L29.9Very low29.5Very low171 Ų171134.6 Ų134.690%0.89578%0.784SS**PPolyproline II helixtrans-81.1145.9176.3-89.2163.3000112L603L603-L605 PolarHBondContact O-N 3.49Å
606S27.7Very low29.7Very low90 Ų90133.3 Ų133.363%0.62978%0.783SS**PPolyproline II helixtrans-66.6149.1173.91780000112.5
607N32.1Very low30.1Very low145 Ų145134.5 Ų134.578%0.77579%0.785SS**  -171.8127.7119.3-94.4-22.1000115.7
608N30.6Very low30.2Very low137 Ų137134 Ų13473%0.73378%0.782SS**  trans31.1114.7142.1-66.4-24.2000121.4
609M31.5Very low30.5Very low190 Ų190136.9 Ų136.994%0.93678%0.784SS**  168.7151.7108.3-90.5168.759.500110.7
610A31.5Very low30.6Very low75 Ų75141.5 Ų141.562%0.6279%0.79SS**  cis-165.9148.8-32.700000109.7
611N30.7Very low30.8Very low156 Ų156137 Ų13783%0.83478%0.783SS**  trans53.4104.1154.4-56.2-11.7000121.7
612S33.3Very low31.1Very low108 Ų108137.8 Ų137.876%0.75579%0.785SS**  166.898.2117.362.40000110.4
613S32.7Very low30.9Very low108 Ų108137.7 Ų137.776%0.75578%0.783SS**  57.8122.994.370.40000113.9
614T33.5Very low31.1Very low136 Ų136138 Ų13883%0.83479%0.785SS**  cis-144.3169.130.141.90000114.3
615P34.5Very low30.9Very low116 Ų116138.4 Ų138.475%0.75378%0.779SS**  trans-121.1-165.7-160.344.8-32.7000115.7
616L31.3Very low30.9Very low154 Ų154137.1 Ų137.181%0.80677%0.772SS**  trans123.7138.8169.7-68.7164.7000110.4
617N31.9Very low30.9Very low126 Ų126139.7 Ų139.767%0.67477%0.774SS**  cis-148171.810.6-139.1-16.1000113.5
618L30.3Very low30.6Very low145 Ų145140.7 Ų140.776%0.75978%0.779SS**  trans-15.9157165.3-9250.1000119.7
619L31.6Very low30.5Very low154 Ų154137.7 Ų137.781%0.80677%0.768SS**  cis-151.4169.123.7-168.956.8000112.9
620Q27.6Very low30.3Very low186 Ų186132.1 Ų132.187%0.86976%0.759SS**  trans-101.9135176.3-60.2160.2-55.500113.2
621S31.5Very low30.1Very low110 Ų110134.8 Ų134.877%0.76977%0.768SS**  trans-152111.3150.9500000108.1
622Q31.3Very low30.2Very low186 Ų186134 Ų13487%0.86977%0.769SS**  67.2121.196.3-70.7-170.93.500115.1
623T28.3Very low29.9Very low125 Ų125135.4 Ų135.477%0.76777%0.768SS**  trans-35.9136.1170.647.10000116
624N29.8Very low29.7Very low153 Ų153139.4 Ų139.482%0.81877%0.773SS**  trans-130.295.5151.5-98.7-38.2000109.9
625I28.1Very low29.6Very low135 Ų135138.3 Ų138.369%0.69277%0.767SS**  trans-88.8105.1162.9-65.1175000106.4Q627I625-Q627 VanDerWaalsContact C-N 3.34Å; I625-Q627 HydrophobicContact CG2-CB 4.38Å; I625-Q627 HydrophobicContact CG2-CG 4.02Å; I625-Q627 PolarHBondContact O-N 3.25Å
626L28.5Very low29.2Very low145 Ų145139.9 Ų139.976%0.75977%0.768SS**  trans-92.770.8169-95.6167.1000110.7L628L626-L628 HydrophobicContact CD2-CD2 4.29Å; L626-L628 HydrophobicContact CD2-CG 4.37Å; L626-L628 PolarHBondContact O-N 3.24Å
627Q28.1Very low29.2Very low144 Ų144139.3 Ų139.367%0.67377%0.766SS**  trans-70.8103.5152.9-84.1-176.8-111.200108.3I625 S629I625-Q627 VanDerWaalsContact C-N 3.34Å; I625-Q627 HydrophobicContact CG2-CB 4.38Å; I625-Q627 HydrophobicContact CG2-CG 4.02Å; I625-Q627 PolarHBondContact O-N 3.25Å; Q627-S629 PolarHBondContact NE2-OG 3.07Å; Q627-S629 PolarHBondContact O-N 2.7Å
628L27Very low29.1Very low166 Ų166139.5 Ų139.587%0.86977%0.767SS**  trans-78.957.8162.7-74.9175.5000111L626 G630L626-L628 HydrophobicContact CD2-CD2 4.29Å; L626-L628 HydrophobicContact CD2-CG 4.37Å; L626-L628 PolarHBondContact O-N 3.24Å; L628-G630 PolarHBondContact O-N 3.22Å
629S26.9Very low29.1Very low73 Ų73139 Ų13951%0.5177%0.77SS.*  trans-94.873.1163.953.70000108.9Q627 T631Q627-S629 PolarHBondContact NE2-OG 3.07Å; Q627-S629 PolarHBondContact O-N 2.7Å; S629-T631 VanDerWaalsContact C-N 3.32Å; S629-T631 PolarHBondContact O-N 2.81Å
630G28.7Very low29.1Very low73 Ų73135.6 Ų135.675%0.75377%0.772SS**  trans-75.369.4-173.500000114.5L628L628-G630 PolarHBondContact O-N 3.22Å
631T27Very low29.1Very low132 Ų132134.6 Ų134.681%0.8177%0.772SS**  trans-104.187.2169.6540000110.7S629S629-T631 VanDerWaalsContact C-N 3.32Å; S629-T631 PolarHBondContact O-N 2.81Å
632T31.3Very low29.1Very low138 Ų138135.9 Ų135.985%0.84778%0.775SS**  trans-103.3105.3176.851.20000111.4
633N27.3Very low28.8Very low138 Ų138134.5 Ų134.574%0.73877%0.774SS**  trans-93.4171.5164.6-106.2-35.5000110.5
634F28.4Very low28.9Very low193 Ų193135.6 Ų135.685%0.84678%0.78SS**  trans77.4149.2170.3-48-70.8000117.2
635P32.4Very low28.8Very low112 Ų112134.9 Ų134.973%0.72778%0.781SS**  cis-136.6148.2-33.434.9-18.2000115.8
636I26.6Very low28.9Very low150 Ų150132 Ų13277%0.76979%0.785SS**  trans11121.6144.2-57.2161.8000118
637N30.4Very low29Very low142 Ų142132.5 Ų132.576%0.75979%0.788SS**  -162.7142.2121.6-110.4-35.7000115
638N30.5Very low28.8Very low130 Ų130133.1 Ų133.170%0.69580%0.795SS**  trans21.5107.5161.7-63.7-3.8000119.6
639T29.1Very low29.1Very low135 Ų135132.3 Ų132.383%0.82880%0.798SS**  59.6108.178.868.40000115.7
640G32Very low29.1Very low82 Ų82135 Ų13585%0.84581%0.806SS**  trans-168.1110.116800000111.1
641L27.2Very low29.3Very low165 Ų165139 Ų13986%0.86481%0.811SS**  trans-85.8146.1-176.9-68.6148.5000111.6
642T31.5Very low29.6Very low136 Ų136138.1 Ų138.183%0.83480%0.801SS**  168.5156.2108.8360000112.7
643N25.8Very low29.6Very low157 Ų157138.1 Ų138.184%0.8480%0.795SS**  trans-93.7148.2176.5-61.2-27.5000111.4
644V31.3Very low30.1Very low148 Ų148139.1 Ų139.190%0.89780%0.801SS**  trans-137.8138.4150.8-177.10000108.7
645T26.7Very low30.1Very low139 Ų139137.3 Ų137.385%0.85380%0.8SS**  trans-118.4155.6-177.438.20000112.5
646G30.8Very low30.2Very low74 Ų74139.2 Ų139.276%0.76381%0.809SS**  trans113.7152.817100000114
647N29.8Very low30.3Very low155 Ų155137.3 Ų137.383%0.82980%0.8SS**  cis-155.5169.9-8.8-151.3-2.7000110.8
648L25Very low30.3Very low157 Ų157138.6 Ų138.682%0.82281%0.807SS**  trans-74.1147.2-176.3-55.9108.6000114.1
649T31.5Very low30.2Very low150 Ų150139.7 Ų139.792%0.9281%0.808SS**  trans-146.8147.6136.637.70000111.1
650N27.3Very low30.3Very low130 Ų130139.5 Ų139.570%0.69580%0.801SS**  trans-104.2151.9174176.329000109.4
651N34.2Very low30.3Very low157 Ų157143.6 Ų143.684%0.8480%0.798SS**  trans-153140152.6-131.1-15.3000113
652N32.7Very low30.3Very low112 Ų112141.6 Ų141.660%0.59980%0.797SS**  trans-85.6159.2-176.9-58.5-35000111.9
653N32Very low30.3Very low138 Ų138142.3 Ų142.374%0.73880%0.802SS**  154.7118.7119.1-77.5-25.7000112.5
654N36.9Very low30.3Very low159 Ų159139.9 Ų139.985%0.8580%0.803SS**  176.7142.7103.8-89.6-43.7000112.3
655N28.7Very low30.2Very low155 Ų155136.1 Ų136.183%0.82979%0.794SS**  trans-82.6147.8172.6-75.8-34.9000111.5
656V34.4Very low30.4Very low152 Ų152135.6 Ų135.692%0.92179%0.791SS**  trans-131.1139.1130.3-178.60000107.3
657N27.8Very low30.2Very low110 Ų110139 Ų13959%0.58879%0.79SS**  trans-124.8139.6-172.4174.734.9000110.1
658L31.9Very low30.2Very low170 Ų170138.1 Ų138.189%0.8978%0.784SS**  trans-141.9114.5160.4-91.5174.3000109.2
659Q27.4Very low30.3Very low153 Ų153137.2 Ų137.272%0.71578%0.78SS**  trans-101.5162.8167.6-62.2174.7-58.500108.6
660N31.9Very low30.2Very low130 Ų130137.2 Ų137.270%0.69578%0.775SS**  -161.8138.6115.8-118.122.6000115.3
661E31.9Very low30.2Very low168 Ų168134.6 Ų134.679%0.78577%0.771SS**  trans71.3138.7145.1-72167.1-168.100122.6
662C26.5Very low30.1Very low123 Ų123137.2 Ų137.283%0.83178%0.775SS**  trans-135.1159.3-177-50.20000109
663T31.5Very low29.9Very low152 Ų152137.7 Ų137.793%0.93378%0.778SS**  trans-151159.8149.4-25.20000110.2
664A26.4Very low29.8Very low105 Ų105142.4 Ų142.487%0.86879%0.787SS**  trans-143.3163.8-16500000114.1
665G29.2Very low29.4Very low69 Ų69138.5 Ų138.571%0.71177%0.772SS**  trans132.6143.6175.900000112.2
666T31.2Very low29.6Very low129 Ų129138.2 Ų138.279%0.79178%0.776SS**  cis-154.7137.70.4-58.40000111.1
667I25.9Very low29.4Very low145 Ų145138.4 Ų138.474%0.74477%0.767SS**  trans-6.8145.1142.2-20.1-179.8000114.3
668I29.4Very low29.5Very low136 Ų136139.2 Ų139.270%0.69777%0.771SS**  -167.9150.950.7-13.2175.8000114.3
669N27.3Very low29.5Very low138 Ų138139.2 Ų139.274%0.73876%0.764SS**  trans63151.1152.8-69.3-7.6000119.5
670N30.8Very low29.5Very low151 Ų151136.4 Ų136.481%0.80776%0.761SS**  cis-136.3161.210.5-115.1-15.4000111.9
671A26.7Very low29.2Very low75 Ų75137.1 Ų137.162%0.6277%0.77SS**  trans-97.3168-176.100000114.2
672F31.5Very low29Very low211 Ų211133.1 Ų133.193%0.92577%0.774SS**  -157.2132.3126.1-108.8-69.6000111.4
673D27.9Very low29.1Very low122 Ų122134 Ų13465%0.65278%0.776SS**  trans-80.2162.5-178.2-65.9-90.6000114
674Y31.7Very low29Very low237 Ų237135.4 Ų135.493%0.92978%0.777SS**  -151.8136.9107.6-112.1-74000111
675S28.1Very low29.2Very low78 Ų78133.8 Ų133.855%0.54577%0.77SS.*  trans-126.2160.3-173.764.40000112.4
676T33Very low29.1Very low149 Ų149137.9 Ų137.991%0.91478%0.776SS**  trans-147.4130.7147.1-7.40000109.4
677Q30Very low28.9Very low156 Ų156139.3 Ų139.373%0.72978%0.779SS**  trans-100.3178.6-179.1-52.2-178.97.800110.9
678L29.3Very low28.9Very low127 Ų127136 Ų13667%0.66578%0.779SS**  178.114798.4-90.6174.9000115.4
679F31.1Very low28.9Very low170 Ų170137 Ų13775%0.74679%0.786SS**  trans64.889.9156.1-60.2-50.8000123
680S27.7Very low28.9Very low94 Ų94137.6 Ų137.666%0.65779%0.787SS**  65.5108103.4-58.90000123
681T25.4Very low28.5Very low145 Ų145138 Ų13889%0.8979%0.79SS**  50116.8126.462.20000121.2
682G29.1Very low28.6Very low84 Ų84138.9 Ų138.987%0.86680%0.796SS**  trans-168.6101158.600000112.5
683T27.9Very low28.3Very low140 Ų140135.2 Ų135.286%0.85979%0.791SS**  trans-95.2136.6179.328.30000112.3
684L30.1Very low28.4Very low183 Ų183138.3 Ų138.396%0.95880%0.799SS**  trans179.3149.4148.6-105.7161.2000113.6
685G29.7Very low28.3Very low70 Ų70133.7 Ų133.772%0.72279%0.791SS**  trans100.8107.3145.100000118.7
686N27.5Very low28.3Very low156 Ų156136.5 Ų136.583%0.83480%0.8SS**  trans-92.4161.9164.7-89.7-11.1000112.3
687N27.3Very low28Very low159 Ų159137.5 Ų137.585%0.8579%0.794SS**  trans96.1119.7157.5-59.5-21.6000119.8
688G26.1Very low28Very low74 Ų74134.9 Ų134.976%0.76379%0.791SS**  trans84.8145.5163.600000114.6
689L27.7Very low27.8Very low159 Ų159135.4 Ų135.483%0.83280%0.799SS**  cis-157.3154.618.3-87.8168.5000112.3
690I27.6Very low27.6Very low149 Ų149136.3 Ų136.376%0.76480%0.799SS**  trans65.8122.1146.2-64.1161.6000119.5
691N23.6Very low27.6Very low161 Ų161143.1 Ų143.186%0.86181%0.812SS**  trans-54.4132.2162.4-110.2-21.7000113
692A28.1Very low27.7Very low92 Ų92144.4 Ų144.476%0.7681%0.806SS**  trans-138.3109.216100000109.9
693T25.7Very low27.7Very low134 Ų134146 Ų14682%0.82279%0.794SS**  trans-69.8125.8-178.837.40000112.5
694F29.5Very low27.8Very low187 Ų187144.1 Ų144.182%0.8279%0.785SS**  trans-141.3105.1163.5-109.6-82.6000113.5
695N30.5Very low28Very low141 Ų141142.2 Ų142.275%0.75478%0.776SS**  trans29111.4151-60.6-14.2000121Q697N695-Q697 PolarHBondContact O-N 3.34Å
696N26.7Very low28.1Very low136 Ų136144.2 Ų144.273%0.72778%0.778SS**  trans-17.4117.2155.8-61.1-14.3000117.2
697Q26.7Very low28.2Very low170 Ų170144.1 Ų144.179%0.79478%0.776SS**  trans-137.9136.9148.4-77-61.1-64.700108.8N695 T699N695-Q697 PolarHBondContact O-N 3.34Å; Q697-T699 PolarHBondContact O-N 3.13Å
698P29.8Very low28.3Very low101 Ų101142.5 Ų142.566%0.65677%0.772SS**  trans-77.2109.1176.330.3-32.2000110.6Y700P698-Y700 PolarHBondContact O-N 2.94Å
699T26.2Very low28.4Very low139 Ų139146 Ų14685%0.85378%0.779SS**  trans-70.9111.317519.70000111.3Q697 Y701Q697-T699 PolarHBondContact O-N 3.13Å; T699-Y701 PolarHBondContact O-N 2.89Å
700Y27.3Very low28.3Very low188 Ų188143.1 Ų143.174%0.73778%0.778SS**  trans-76.9115.4169-77.2-94.4000110.1P698 F702P698-Y700 PolarHBondContact O-N 2.94Å; Y700-F702 PolarHBondContact O-N 3.13Å
701Y26.8Very low28.2Very low237 Ų237141 Ų14193%0.92978%0.783SS**PPolyproline II helixtrans-71.6119.4163.8-118-93.4000108.9T699T699-Y701 PolarHBondContact O-N 2.89Å
702F27.9Very low28.3Very low173 Ų173138.3 Ų138.376%0.75978%0.783SS**PPolyproline II helixtrans-95.3133.6171.9-81.3-92.6000110Y700Y700-F702 PolarHBondContact O-N 3.13Å
703D28.6Very low28.3Very low116 Ų116138.9 Ų138.962%0.6279%0.788SS**PPolyproline II helixtrans-74.8124.3168-174.7-26.7000109.1N705D703-N705 PolarHBondContact O-N 3.29Å; D703-N705 WeakPolarHBondContact OD1-CB 3.35Å; D703-N705 PolarHBondContact OD1-N 2.8Å
704P30.9Very low28.3Very low102 Ų102137.2 Ų137.266%0.66279%0.788SS**G310 helixtrans-61.9-22.3-179.7-24.535.4000115S706P704-S706 VanDerWaalsContact C-N 3.27Å; P704-S706 PolarHBondContact O-N 2.72Å; P704-S706 VanDerWaalsContact O-N 3.08Å
705N34.2Very low28.2Very low143 Ų143135.3 Ų135.377%0.76579%0.792SS**G310 helixtrans-84.821.8-161.8-67-31.1000115.6D703D703-N705 PolarHBondContact O-N 3.29Å; D703-N705 WeakPolarHBondContact OD1-CB 3.35Å; D703-N705 PolarHBondContact OD1-N 2.8Å
706S32Very low28.3Very low112 Ų112132.8 Ų132.878%0.78379%0.79SS**G310 helixtrans-111.97.2-178.5-1230000115.6P704 T708P704-S706 VanDerWaalsContact C-N 3.27Å; P704-S706 PolarHBondContact O-N 2.72Å; P704-S706 VanDerWaalsContact O-N 3.08Å; S706-T708 PolarHBondContact O-N 2.9Å
707I28.2Very low28.5Very low153 Ų153135 Ų13579%0.78580%0.799SS**  trans-91.767-176.5-47.4-176.8000111.8
708T30Very low28.7Very low126 Ų126134.6 Ų134.677%0.77380%0.801SS**  trans-140.268.2175.4-43.80000112.8S706S706-T708 PolarHBondContact O-N 2.9Å
709T27.5Very low28.9Very low147 Ų147136.4 Ų136.490%0.90281%0.809SS**SBendtrans18077.5147.8-70.30000108.9
710A26.5Very low29.3Very low99 Ų99132.8 Ų132.882%0.81880%0.8SS**  trans-159.136177.800000114.1
711A25.4Very low29.9Very low104 Ų104129.2 Ų129.286%0.8680%0.8SS**  trans-133.476.1-173.200000112.4
712A26.2Very low30.3Very low105 Ų105125.5 Ų125.587%0.86880%0.796SS**  trans-153.541.1-177.300000114.6
713A26.8Very low30.6Very low103 Ų103121 Ų12185%0.85180%0.799SS**  trans-15855.6178.700000114.8
714A26.9Very low30.7Very low100 Ų100124 Ų12483%0.82681%0.813SS**  trans-155.285.8174.400000113.9
715T28.1Very low30.8Very low147 Ų147122.4 Ų122.490%0.90282%0.816SS**  trans-146.481.7168.3-510000111.6
716A30.7Very low30.7Very low87 Ų87120.9 Ų120.972%0.71981%0.812SS**  trans-175155.2149.200000112.5
717M30.7Very low30.7Very low184 Ų184122.7 Ų122.791%0.90681%0.811SS**  trans75.6108.3157.8-46.8-143.9172.700118.7
718L32.1Very low31Very low160 Ų160122.4 Ų122.484%0.83881%0.811SS**  trans-77.4165.7175.5-77.481.6000113.4
719V33.9Very low30.9Very low139 Ų139123.4 Ų123.484%0.84281%0.812SS**  trans75.7123.9146.8163.40000118.5
720G34.7Very low31.1Very low63 Ų63124.2 Ų124.265%0.64981%0.811SS**  trans-113-144.8156.600000109.9
721P40.1Very low31.4Very low113 Ų113123.7 Ų123.773%0.73481%0.807SS**  cis-131.2-154.4-6.938.1-17.3000112
722N35.3Very low31.5Very low159 Ų159126.5 Ų126.585%0.8581%0.805SS**  trans111131.4161.2-56.9-31.5000117.3
723G33.9Very low32Very low79 Ų79126.4 Ų126.481%0.81480%0.796SS**  trans140.595.3168.600000114.6
724L30.3Very low32.3Very low178 Ų178128.9 Ų128.993%0.93279%0.79SS**  trans-88.2155.4174.3-75104.2000112.6
725G33.9Very low32.5Very low70 Ų70130.6 Ų130.672%0.72278%0.784SS**  trans-156.214.9-17600000119.1
726T31.3Very low32.5Very low110 Ų110131.8 Ų131.868%0.67578%0.783SS**  trans36.4127.2152.249.70000123.4
727I32.8Very low32.3Very low151 Ų151130.6 Ų130.677%0.77478%0.779SS**  trans75.3147.7137.8-61.4168.1000115.3
728N33.3Very low32.5Very low146 Ų146129.9 Ų129.978%0.78178%0.777SS**  cis-142.9171.26.327.230.6000113.2
729N28.2Very low32.3Very low148 Ų148129.6 Ų129.679%0.79177%0.772SS**  trans-85.6153.5171-58.3-43.3000113
730N32.4Very low32.1Very low163 Ų163130.5 Ų130.587%0.87277%0.767SS**  175148.4122-90.2-17.9000116.4
731A32.1Very low31.7Very low89 Ų89132.6 Ų132.674%0.73677%0.771SS**  trans51.392145.400000123.1
732I28.9Very low31.3Very low162 Ų162135.4 Ų135.483%0.83178%0.779SS**  4.4142.6108.8-46.4173.8000116.5
733P36.7Very low31Very low103 Ų103133.1 Ų133.167%0.66977%0.771SS**  cis-131.6-162.5-28.841.3-23000112.3
734Q33Very low30.7Very low155 Ų155136.7 Ų136.772%0.72477%0.772SS**  trans155.6100.7134.6-80.8-75.70.400114
735I29.5Very low30.7Very low137 Ų137134.7 Ų134.770%0.70377%0.771SS**  41.5120.6121.2-65.2178000121.2
736I28.3Very low30.5Very low172 Ų172134.2 Ų134.288%0.88277%0.766SS**  trans68.5129.7151-65.9167000120.5
737G27.7Very low30.7Very low62 Ų62137.3 Ų137.364%0.63978%0.779SS**  trans161.1122.6146.600000119.3
738I33.6Very low30.6Very low169 Ų169138.9 Ų138.987%0.86778%0.783SS**  trans62.682.9142.2-44.4177.6000119.7
739Q28.6Very low30.6Very low154 Ų154139.9 Ų139.972%0.7279%0.787SS**  36.2127.4111.3-171.4170.2-40.600122.7
740Q28.7Very low30.8Very low158 Ų158136 Ų13674%0.73878%0.782SS**  trans87.8121.7146.8-87.2166.4-17.800124
741S27.6Very low30.9Very low107 Ų107135.8 Ų135.875%0.74878%0.776SS**  trans61.4124.9139.1640000122.1
742L31.1Very low30.8Very low171 Ų171138 Ų13890%0.89578%0.776SS**  -160.5165.2115.1-105.5163.4000111
743T29.7Very low30.9Very low112 Ų112135.2 Ų135.269%0.68777%0.769SS**  trans-130.8152.9-168.845.80000113.5
744N26.9Very low30.6Very low154 Ų154135.5 Ų135.582%0.82477%0.774SS**  trans69.4119.5158-62-7.1000119.8
745C30.6Very low30.7Very low135 Ų135133 Ų13391%0.91277%0.773SS**  trans176144133.1-93.20000107.2
746G30.5Very low30.7Very low61 Ų61132.1 Ų132.163%0.62978%0.779SS**  cis120.1113.2-0.500000112.3
747N33.9Very low31Very low174 Ų174128.6 Ų128.693%0.9377%0.77SS**  trans170.3169.1148.3-86.3-12000112.8
748E30.6Very low31.2Very low185 Ų185131.2 Ų131.286%0.86477%0.773SS**  trans-122.7166.8-154-52178108.800116.8
749L33.5Very low31.1Very low166 Ų166131.3 Ų131.387%0.86977%0.774SS**  trans171155.6145.8-92.1156.1000108.3
750G32.5Very low31.3Very low66 Ų66127 Ų12768%0.6877%0.77SS**  cis138.9132.3-5.800000111.6
751Q35.1Very low31.4Very low159 Ų159128.6 Ų128.674%0.74378%0.778SS**  cis-158.8160.4-3.6-46.117614.800110.8
752N30.8Very low31.7Very low137 Ų137129.1 Ų129.173%0.73378%0.782SS**  trans64.3152.3150-59.5-21.6000120
753C30.9Very low31.6Very low103 Ų103126.5 Ų126.570%0.69677%0.772SS**  cis-161.4155-1.5-120.80000113.1
754S29.4Very low31.7Very low109 Ų109128.3 Ų128.376%0.76278%0.778SS**  trans33.8150.4139.7-570000124.1
755S34.3Very low32Very low103 Ų103125.7 Ų125.772%0.7277%0.771SS**  cis178.9153.6-6.2500000113.8
756S31.2Very low32Very low118 Ų118126.2 Ų126.283%0.82576%0.764SS**  trans66163.4155.6-80.80000120.3
757S34.3Very low32Very low97 Ų97127.8 Ų127.868%0.67877%0.766SS**  cis175.6164.8-18.863.10000108.7
758T31.8Very low32.3Very low117 Ų117124.7 Ų124.772%0.71876%0.756SS**  cis-172.2163.2-5.410.60000110.9
759I31.4Very low32.4Very low172 Ų172124 Ų12488%0.88276%0.757SS**  trans70.1146.4157.5-64.7155.7000117.1
760G32.3Very low32.4Very low62 Ų62120.8 Ų120.864%0.63975%0.754SS**  cis177.7158.8-11.300000116.5
761Q31.3Very low32.4Very low192 Ų192121.3 Ų121.390%0.89776%0.759SS**  trans46.6122.5138-56-174.46.300124
762S32.7Very low32.3Very low119 Ų119120.3 Ų120.383%0.83276%0.758SS**  -176.1169.7119.946.10000112.1
763V30.1Very low32.4Very low115 Ų115122.8 Ų122.870%0.69776%0.759SS**  -149.2168.2-127.3-77.50000115.5
764N31.8Very low32.5Very low151 Ų151123.4 Ų123.481%0.80776%0.755SS**  trans75.2149.3162.9-54.3-35.5000117.1
765S32.1Very low32.7Very low98 Ų98127.5 Ų127.569%0.68576%0.759SS**  cis-171.8171.4-1753.70000107.4
766L30.5Very low32.6Very low146 Ų146125.5 Ų125.576%0.76476%0.755SS**  cis-127.31709.2-71.988.8000109
767S31.7Very low32.7Very low95 Ų95127.7 Ų127.766%0.66476%0.757SS**  cis87.9156.414.590.30000117
768P40.6Very low32.6Very low109 Ų109131.2 Ų131.271%0.70876%0.762SS**  -146.6177.5-74.842-24.8000117.5
769L31.8Very low32.6Very low171 Ų171132.3 Ų132.390%0.89576%0.763SS**  trans-142.9113.4142.3-91.1107.6000107.4
770A34Very low32.7Very low98 Ų98130 Ų13081%0.8176%0.759SS**  72.3122.468.800000113.3
771G33.1Very low32.5Very low76 Ų76134.1 Ų134.178%0.78477%0.765SS**  cis169.1-178.4-1.800000109.4
772L31.2Very low32.6Very low139 Ų139132.5 Ų132.573%0.72876%0.761SS**  cis-171.3173-16.2-136.3175.4000108.5
773Y33.1Very low32.4Very low188 Ų188131.9 Ų131.974%0.73776%0.757SS**  trans77.8142.2169.6-52.9-68.2000118
774N33.6Very low32.6Very low117 Ų117133 Ų13363%0.62676%0.764SS**  cis-155.4158.1-1-130.6-6.8000115.1
775F34.8Very low32.6Very low194 Ų194131.5 Ų131.585%0.85177%0.766SS**  trans14.3148.1165.5-61.1-66.2000123.3
776G30.9Very low32.6Very low61 Ų61131 Ų13163%0.62977%0.767SS**  cis164.1179.7-1.200000114
777L33.5Very low32.7Very low165 Ų165132 Ų13286%0.86477%0.773SS**  trans70.5143.9179.5-52.3174.8000116.4
778Q32.1Very low32.7Very low170 Ų170131.3 Ų131.379%0.79477%0.768SS**  cis-160.4150.5-26.1-16891.6-15.400107.3
779I31.3Very low32.2Very low141 Ų141135.6 Ų135.672%0.72378%0.778SS**  trans-105.4168.4-178.7-21.1177.6000111.2
780P33.9Very low32.2Very low123 Ų123132.7 Ų132.780%0.79977%0.772SS**  -141.2158.392.738.6-24.8000116.2
781L28Very low31.9Very low149 Ų149135.9 Ų135.978%0.7877%0.77SS**  trans-115.3154.7166.8-90.4166.2000109.2
782I33.1Very low32Very low157 Ų157138.4 Ų138.481%0.80577%0.773SS**  trans-130.2142160.7-63.9-178.2000108.5
783S29.8Very low31.8Very low106 Ų106136.8 Ų136.874%0.74177%0.769SS**  trans-151.9139.6173.8-56.20000108.8
784T33.4Very low31.8Very low140 Ų140133.4 Ų133.486%0.85977%0.768SS**  trans-141.8151172.544.30000110.2
785S32Very low31.5Very low119 Ų119134.7 Ų134.783%0.83278%0.775SS**  trans-154.7175-170.560.60000111.5
786A31.8Very low31.4Very low87 Ų87130.6 Ų130.672%0.71977%0.77SS**  trans93.3124.5165.300000118.4
787L32.7Very low31.4Very low168 Ų168133.4 Ų133.488%0.8878%0.775SS**  177.1148.7129.7-110.474.7000105.2
788S32.1Very low31.4Very low80 Ų80131 Ų13156%0.55977%0.772SS**  cis167.2120.6-32.250.40000105.9
789Q29Very low31.4Very low198 Ų198131.3 Ų131.393%0.92577%0.774SS**  trans62.2154.2160.7-52.7173.717.400115.8
790S32.1Very low31.5Very low110 Ų110132 Ų13277%0.76978%0.784SS**  cis-148.9170.4-0550000110
791Q28.2Very low31.4Very low166 Ų166130.5 Ų130.578%0.77678%0.783SS**  trans-72.1164161.4-70.2-172.2-24.900111.1
792P34.4Very low31.8Very low128 Ų128129.6 Ų129.683%0.83178%0.784SS**  -139.6-173.597.340.3-27.9000114.5
793T27.9Very low31.8Very low106 Ų106128.1 Ų128.165%0.6578%0.782SS**  trans-117.1173.3-170.6480000113.7
794T32.4Very low32Very low116 Ų116130.3 Ų130.371%0.71278%0.782SS**  trans96.3121.6156.770.60000121.7
795N29Very low31.8Very low145 Ų145129.2 Ų129.278%0.77577%0.771SS**  79.2132.1127.7-64.60000125.4
796S31.3Very low31.7Very low107 Ų107130.6 Ų130.675%0.74877%0.768SS**  trans96.297.5132.254.50000123.3
797T30.7Very low31.7Very low121 Ų121134.6 Ų134.674%0.74278%0.777SS**  72104.3113.4-46.60000122.2
798S34.6Very low31.5Very low114 Ų114132.9 Ų132.980%0.79777%0.768SS**  -166.5100.9127.752.20000109.5
799Q32.2Very low31.3Very low176 Ų176135.8 Ų135.882%0.82277%0.773SS**  53.2104.285.5-72.7-160.37.400116.7
800T32.9Very low31.2Very low155 Ų155131.1 Ų131.195%0.95176%0.762SS**  -156.7149.2129.9-2.50000108
801A32.8Very low31.1Very low92 Ų92135.1 Ų135.176%0.7676%0.762SS**  trans-149.5149.5-164.600000114.2
802T36.2Very low31.2Very low131 Ų131132.8 Ų132.880%0.80476%0.759SS**  trans-176108.3159.9-77.80000105.1
803V32.4Very low31Very low125 Ų125133.2 Ų133.276%0.75876%0.755SS**  64.2118.773.2176.50000109.5
804M33.1Very low31.3Very low153 Ų153134.1 Ų134.175%0.75476%0.762SS**  cis-161166.534.5-164.648168.900113.2
805N30.6Very low31.2Very low116 Ų116135.2 Ų135.262%0.6277%0.768SS**  trans56.4114156.4-79.21.8000123.1
806L29.4Very low31.3Very low149 Ų149133.4 Ų133.478%0.7877%0.767SS**  37.4109110.4-73.6145.6000119.1
807L31.6Very low31.3Very low171 Ų171133.2 Ų133.290%0.89576%0.761SS**  -161.2175.7101.4-106.4164.8000111.3
808N27.8Very low31.5Very low132 Ų132135.9 Ų135.971%0.70677%0.77SS**  trans-137.9166.8-162.7-168.57.8000111.1
809Q28.7Very low31.3Very low140 Ų140136.9 Ų136.965%0.65477%0.766SS**  trans80.4114.3163.5-55.7-174.115.400120.6
810S26.9Very low31.5Very low100 Ų100132.1 Ų132.170%0.69977%0.765SS**  75.2176.8122.2-56.20000120.8
811Y29.8Very low31.5Very low194 Ų194131.4 Ų131.476%0.76176%0.76SS**  trans79.6138.7169.3-60.7-78.4000117.6
812T31.3Very low31.5Very low118 Ų118135 Ų13572%0.72477%0.766SS**  cis-165.5176.6-31.47.10000109.4
813N29.8Very low31.3Very low137 Ų137134 Ų13473%0.73377%0.765SS**  trans-50.2148.7160.1-60.1-39.9000112.7V815N813-V815 PolarHBondContact O-N 3.15Å
814P34.6Very low31.1Very low125 Ų125134.3 Ų134.381%0.81277%0.766SS**  trans-75.9109.9170.630.9-32.8000111.2
815V29.2Very low31.1Very low138 Ų138133.4 Ų133.484%0.83677%0.769SS**  trans-133.286.1165.8-178.20000108.9N813N813-V815 PolarHBondContact O-N 3.15Å
816S31.6Very low31Very low107 Ų107136.7 Ų136.775%0.74878%0.781SS**  trans-168.2152.2173.264.90000107.9
817V32.2Very low31.1Very low103 Ų103134.9 Ų134.962%0.62478%0.781SS**  cis-135.2135.34.7-176.70000108.5N819V817-N819 HydrophobicContact CG1-CB 4.18Å; V817-N819 VanDerWaalsContact CG1-CG 3.46Å; V817-N819 WeakPolarHBondContact CG1-OD1 3.38Å
818L33.5Very low31.1Very low178 Ų178135.6 Ų135.693%0.93278%0.782SS**  trans-106.890.2162.6-124.4175.2000108.5G820L818-G820 PolarHBondContact O-N 3.27Å
819N32Very low31.4Very low134 Ų134136.6 Ų136.672%0.71779%0.787SS**  trans-79.2102.3-178-94.6-16.1000110.3V817 T821V817-N819 HydrophobicContact CG1-CB 4.18Å; V817-N819 VanDerWaalsContact CG1-CG 3.46Å; V817-N819 WeakPolarHBondContact CG1-OD1 3.38Å; N819-T821 PolarHBondContact O-N 3.33Å
820G35.3Very low31.6Very low77 Ų77137 Ų13779%0.79479%0.789SS**  trans-70.8105.2167.600000111L818 L822L818-G820 PolarHBondContact O-N 3.27Å; G820-L822 PolarHBondContact O-N 3.09Å
821T33.9Very low32Very low140 Ų140140 Ų14086%0.85979%0.792SS**  trans-7492.6177.225.70000111.9N819N819-T821 PolarHBondContact O-N 3.33Å
822L31.9Very low32.3Very low167 Ų167138.4 Ų138.487%0.87480%0.797SS**  trans-105.790.9162.3-88.7166.6000109.9G820 V824G820-L822 PolarHBondContact O-N 3.09Å; L822-V824 PolarHBondContact O-N 3.43Å
823S32.6Very low32.6Very low111 Ų111137.9 Ų137.978%0.77680%0.795SS**  trans-73.9110.517453.60000110.8T825S823-T825 PolarHBondContact O-N 2.94Å
824V27.5Very low32.8Very low130 Ų130140 Ų14079%0.78880%0.801SS**  trans-76.2116.3172.8176.50000109.9L822L822-V824 PolarHBondContact O-N 3.43Å
825T33.4Very low32.9Very low134 Ų134141.3 Ų141.382%0.82280%0.799SS**  trans-106.5128.8162.433.50000109.9S823S823-T825 PolarHBondContact O-N 2.94Å
826Q28.6Very low33.2Very low186 Ų186140 Ų14087%0.86979%0.792SS**  trans-91.7127.2-177.2-63.7171.4-26.900111.6
827S32Very low33.4Very low110 Ų110142.4 Ų142.477%0.76980%0.795SS**  trans-168.6130.6141.151.50000111.5
828M31.1Very low33.6Very low186 Ų186143.5 Ų143.592%0.91681%0.808SS**  trans27.5133.9151.4-49.7179.5-17200118.9
829N33.8Very low34.3Very low153 Ų153138.8 Ų138.882%0.81880%0.802SS**  cis-155.6-177.339.1-155.58.5000113
830E32.8Very low34.6Very low149 Ų149139.1 Ų139.170%0.69681%0.809SS**  trans-97.4175.2-159.5-44.2-178131.500118.6
831Q36.1Very low35.1Very low162 Ų162144.8 Ų144.876%0.75784%0.836SS**  trans91.294.9144.4-76.7174.456.100122.6
832N35.7Very low35.2Very low162 Ų162145 Ų14587%0.86684%0.835SS**  88.1145126.3-115.313.7000122.1
833P37.6Very low35.3Very low106 Ų106143.8 Ų143.869%0.68883%0.833SS**  trans-121.1174.4-169.544.4-34000115.8
834Q33Very low35.5Very low183 Ų183145.7 Ų145.786%0.85584%0.836SS**  trans-176177.7131.9-108.4-166.232.100114.6
835I37.2Very low36Very low151 Ų151146.6 Ų146.677%0.77484%0.839SS**  trans106.179.4161.7-49.9-179.1000118.1
836T36.2Very low36.1Very low111 Ų111147.4 Ų147.468%0.68184%0.84SS**  59.1109.2113.8-48.50000123.3
837L34.1Very low36.6Very low158 Ų158144.8 Ų144.883%0.82784%0.838SS**  trans36.3134.8132.1-53.5172000120.4
838S38.1Very low37Very low126 Ų126147.3 Ų147.388%0.88184%0.843SS**  171.8169.673.147.50000112.4
839G47.5Very low37.4Very low78 Ų78144.3 Ų144.380%0.80484%0.837SS**  trans124.1100.1163.700000115.4
840T37.7Very low37.7Very low142 Ų142143.6 Ų143.687%0.87184%0.839SS**  trans-122.8140.5-175510000113.9
841S46.8Very low38.2Very low195 Ų195143.1 Ų143.1100%1.36485%0.852SS**  trans-152.90132.467.60000110

Retrieved 841 of 841 residues in 898.2 ms (Link to these results)