A0A060D3B8_MAIZE Loading...

PLATZ transcription factor

AlphaFold DB (K7UYB0), UniProt , Accession A0A060D3B8, Species MAIZE (Zea mays, Maize), Gene PLTZ7, Length 251 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
1M47.3Very low53.9Low248 Ų248144.8 Ų144.8100%1.22285%0.853SS**  0162.90-70-175.1172.200108
2A45.8Very low54.4Low93 Ų93149 Ų14977%0.76985%0.853SS**  trans-58.8171.1-16900000113.8
3I64.9Low54Low139 Ų139155.7 Ų155.771%0.71386%0.855SS**  cis-154.1144.227.8-44.6157.3000110
4D47.7Very low54.1Low159 Ų159162.9 Ų162.985%0.8586%0.864SS**  trans-89.5131.8163.4-84.8-73.8000111.3
5H63.3Low53.7Low174 Ų174156.7 Ų156.781%0.80685%0.854SS**  trans-142.7152.6165.1-80.6-48.1000113.1
6A54.5Low53.7Low101 Ų101153.6 Ų153.684%0.83586%0.856SS**  trans-97.7176.5-146.900000116.8
7T48.6Very low53.8Low137 Ų137156.4 Ų156.484%0.8486%0.864SS**  trans-88.6-166.4-167-18.20000112.9
8P55.3Low53.4Low112 Ų112152 Ų15273%0.72786%0.86SS**  -118.6173.2-119.142.4-26.4000116.3
9L59.4Low53Low180 Ų180148.4 Ų148.494%0.94286%0.86SS**  trans-123.6142158.9-54.8172.5000107
10G48.6Very low52.6Low73 Ų73144.8 Ų144.875%0.75386%0.856SS**  cis130.473.35.500000111.4
11L57.2Low52.2Low177 Ų177141.3 Ų141.393%0.92785%0.851SS**  trans-142.9116.7173.7-149.366.8000117.5
12K60.8Low52.2Low195 Ų195138.8 Ų138.885%0.84884%0.836SS**  trans-14.4128.8163.2-124.487.4152.3-169.50120.5
13R49.1Very low52.5Low236 Ų236139.9 Ų139.989%0.89184%0.837SS**  trans-24.3134.2154.5-60.3168.2176.4-102.3-0.9118.9
14R55.6Low51.6Low257 Ų257139.4 Ų139.497%0.9784%0.836SS**  trans-174.7156.5137.6-93.9158.8-152.8-128.23.7107.3
15G46.9Very low52Low70 Ų70136.2 Ų136.272%0.72282%0.819SS**  cis172.3161.9-9.600000112
16A54.7Low51.6Low107 Ų107130.3 Ų130.388%0.88481%0.805SS**  trans68119.816700000121.4
17M54.5Low51.6Low201 Ų201128.2 Ų128.299%0.9978%0.784SS**  trans-12.1137.3151.8-66.9159.2156.900120
18G47Very low51.9Low77 Ų77122.6 Ų122.679%0.79475%0.749SS**  trans-163.3105.2157.600000110.1G20G18-G20 PolarHBondContact O-N 2.84Å
19G45.1Very low52.1Low84 Ų84121.8 Ų121.887%0.86674%0.742SS**  trans-73.2121.6-173.200000112.8G21G19-G21 PolarHBondContact O-N 3.44Å; G19-G21 VanDerWaalsContact O-N 3.15Å
20G45.9Very low52.4Low75 Ų75124.5 Ų124.577%0.77374%0.74SS**  trans-73.497.2166.600000110.2G18 E22G18-G20 PolarHBondContact O-N 2.84Å; G20-E22 PolarHBondContact O-N 2.84Å
21G44.7Very low54.2Low73 Ų73127.1 Ų127.175%0.75373%0.727SS**  trans-75.398165.500000109.4G19 C23G19-G21 PolarHBondContact O-N 3.44Å; G19-G21 VanDerWaalsContact O-N 3.15Å; G21-C23 PolarHBondContact O-N 2.75Å; G21-C23 VanDerWaalsContact O-N 3.08Å
22E47.1Very low55.8Low194 Ų194120.3 Ų120.391%0.90769%0.689SS**  trans-59.7110.8166.8-72.6172.985.300108.6G20 D24G20-E22 PolarHBondContact O-N 2.84Å; E22-D24 PolarHBondContact O-N 3.15Å
23C52.1Low57.4Low116 Ų116112.9 Ų112.978%0.78466%0.66SS**  trans-73.5118.4178.349.30000110G21 D25G21-C23 PolarHBondContact O-N 2.75Å; G21-C23 VanDerWaalsContact O-N 3.08Å; C23-D25 VanDerWaalsContact C-N 3.28Å; C23-D25 PolarHBondContact O-N 3.21Å
24D46Very low59.6Low130 Ų130106.2 Ų106.270%0.69565%0.648SS**  trans-6478176.5179.6-124.3000112.4E22E22-D24 PolarHBondContact O-N 3.15Å
25D55.7Low61.5Low92 Ų9295.1 Ų95.149%0.49261%0.606SS.*  trans-79.3-4.9169.2-163.354.6000112.1C23 S27 R37C23-D25 VanDerWaalsContact C-N 3.28Å; C23-D25 PolarHBondContact O-N 3.21Å; D25-S27 VanDerWaalsContact C-N 3.27Å; D25-S27 PolarHBondContact O-N 2.77Å; D25-R37 IonicContact OD1-CZ 3.53Å; D25-R37 IonicContact OD1-NH1 2.99Å; D25-R37 PolarHBondContact OD1-NH1 3.35Å; D25-R37 IonicContact OD2-NH1 2.67Å
26G55.2Low63.8Low49 Ų4991.9 Ų91.951%0.50557%0.572SS.*THydrogen-bonded Turntrans-65.1-23.9-174.100000114.7T29G26-T29 PolarHBondContact O-OG1 2.7Å
27S53.4Low65.8Low57 Ų5790.8 Ų90.840%0.39955%0.545SS..THydrogen-bonded Turntrans-84.3-22.9-171.665.60000115.4D25D25-S27 VanDerWaalsContact C-N 3.27Å; D25-S27 PolarHBondContact O-N 2.77Å
28D55.7Low67.8Low20 Ų2083.3 Ų83.311%0.10751%0.511CS..G310 helixtrans-83.1-19.2-177.7-95-25.9000113.8R30 R31 R37 R165D28-R30 PolarHBondContact O-N 3.22Å; D28-R30 VanDerWaalsContact O-N 3.07Å; D28-R31 PolarHBondContact O-N 3.3Å; D28-R37 VanDerWaalsContact CB-NH2 3.31Å; D28-R37 VanDerWaalsContact CG-NH2 3.3Å; D28-R37 IonicContact OD2-CZ 3.4Å; D28-R37 IonicContact OD2-NH2 3.14Å; D28-R37 PolarHBondContact OD2-NH2 3.09Å; D28-R165 PolarHBondContact OD1-N 3.37Å
29T59.4Low70.2Confident95 Ų9579.6 Ų79.658%0.58347%0.473SS*.G310 helixtrans-57.8-22.3179.654.60000114.1G26G26-T29 PolarHBondContact O-OG1 2.7Å
30R66.4Low72.7Confident237 Ų23776.7 Ų76.789%0.89444%0.438SS*.G310 helixtrans-79.5-11.4-179.7-70.2-172.1178.4-118.93115.1D28D28-R30 PolarHBondContact O-N 3.22Å; D28-R30 VanDerWaalsContact O-N 3.07Å
31R86.1Confident75.1Confident128 Ų12877.9 Ų77.948%0.48343%0.434SS..THydrogen-bonded Turntrans-103.6-23-176.7-78.5-172.8167.6-174.9-2.7114.7D28 T163D28-R31 PolarHBondContact O-N 3.3Å; R31-T163 PolarHBondContact NH1-O 2.69Å
32W91.5Very high77.6Confident34 Ų3475.3 Ų75.313%0.12941%0.406CS..SBendtrans-129144.7-170.6-71.2110.8000110.3L36 L106 K159 I160 T163W32-L36 HydrophobicContact CB-CD2 4.32Å; W32-L36 HydrophobicContact CD2-CD2 3.94Å; W32-L36 HydrophobicContact CE3-CD2 3.39Å; W32-L36 HydrophobicContact CG-CD2 4.36Å; W32-L36 HydrophobicContact CZ3-CD2 3.96Å; W32-L106 HydrophobicContact CE3-CD1 3.98Å; W32-L106 HydrophobicContact CZ3-CD1 3.84Å; W32-L106 HydrophobicContact CZ3-CG 4.5Å; W32-K159 HydrophobicContact CH2-CD 3.83Å; W32-K159 HydrophobicContact CH2-CG 3.81Å; W32-K159 HydrophobicContact CZ2-CG 4.03Å; W32-I160 HydrophobicContact CD2-CG1 4.09Å; W32-I160 HydrophobicContact CG-CG1 4.44Å; W32-I160 HydrophobicContact CZ2-CG1 4.14Å; W32-T163 VanDerWaalsContact CZ2-OG1 3.29Å; W32-T163 WeakPolarHBondContact CZ2-OG1 3.34Å
33P94.4Very high79.9Confident38 Ų3870.1 Ų70.125%0.24739%0.391CS..  trans-56.3138.8174.5-24.234.6000110.8W35 L36 L106P33-W35 HydrophobicContact CB-CD2 4.03Å; P33-W35 VanDerWaalsContact CB-CE2 3.45Å; P33-W35 HydrophobicContact CB-CG 4.18Å; P33-W35 HydrophobicContact CB-CZ2 3.88Å; P33-W35 VanDerWaalsContact CB-NE1 3.27Å; P33-W35 HydrophobicContact CG-CZ2 3.95Å; P33-W35 PolarHBondContact O-N 2.82Å; P33-W35 VanDerWaalsContact O-N 3.08Å; P33-L36 WeakPolarHBondContact O-CB 3.29Å; P33-L36 PolarHBondContact O-N 3.22Å; P33-L106 HydrophobicContact CG-CD1 3.91Å
34P94.3Very high82.1Confident96 Ų9665.1 Ų65.162%0.62336%0.356SS*.THydrogen-bonded Turntrans-60.1-28.2-172.523.6-34.4000112.6L36 P38 M67P34-L36 VanDerWaalsContact C-N 3.28Å; P34-L36 PolarHBondContact O-N 2.92Å; P34-P38 WeakPolarHBondContact O-CD 3.38Å; P34-M67 VanDerWaalsContact C-SD 3.55Å; P34-M67 HydrophobicContact CB-SD 3.97Å; P34-M67 HydrophobicContact CG-SD 4.3Å
35W95.8Very high84.4Confident25 Ų2560.5 Ų60.510%0.09533%0.329CS..THydrogen-bonded Turntrans-71.4-16.2178.558.8-109.8000115P33 L39 Y62 L64 M67 I102 V105 L106P33-W35 HydrophobicContact CB-CD2 4.03Å; P33-W35 VanDerWaalsContact CB-CE2 3.45Å; P33-W35 HydrophobicContact CB-CG 4.18Å; P33-W35 HydrophobicContact CB-CZ2 3.88Å; P33-W35 VanDerWaalsContact CB-NE1 3.27Å; P33-W35 HydrophobicContact CG-CZ2 3.95Å; P33-W35 PolarHBondContact O-N 2.82Å; P33-W35 VanDerWaalsContact O-N 3.08Å; W35-L39 HydrophobicContact CE3-CB 4.45Å; W35-L39 HydrophobicContact CE3-CD2 3.94Å; W35-L39 HydrophobicContact CZ3-CD2 3.65Å; W35-L39 WeakPolarHBondContact O-CB 3.43Å; W35-L39 PolarHBondContact O-N 3.08Å; W35-Y62 HydrophobicContact CB-CE1 4.41Å; W35-Y62 PolarHBondContact O-OH 2.92Å; W35-Y62 VanDerWaalsContact O-OH 3.04Å; W35-L64 HydrophobicContact CB-CB 4.47Å; W35-L64 VanDerWaalsContact CB-O 3.28Å; W35-L64 WeakPolarHBondContact CB-O 3.25Å; W35-L64 HydrophobicContact CD2-CB 4.42Å; W35-L64 HydrophobicContact CD2-CD2 3.72Å; W35-L64 HydrophobicContact CE3-CD2 3.67Å; W35-L64 HydrophobicContact CG-CB 4.08Å; W35-L64 HydrophobicContact CG-CD2 4.14Å; W35-L64 HydrophobicContact CZ3-CD2 4.1Å; W35-M67 WeakPolarHBondContact CA-SD 3.33Å; W35-M67 HydrophobicContact CB-CG 3.64Å; W35-M67 HydrophobicContact CB-SD 3.9Å; W35-M67 PolarHBondContact N-SD 2.88Å; W35-M67 VanDerWaalsContact N-SD 3.43Å; W35-I102 HydrophobicContact CH2-CD1 3.85Å; W35-I102 HydrophobicContact CZ3-CD1 4.19Å; W35-V105 HydrophobicContact CH2-CG2 3.93Å; W35-V105 HydrophobicContact CZ2-CB 4.09Å; W35-V105 HydrophobicContact CZ2-CG2 3.79Å; W35-L106 HydrophobicContact CH2-CB 4.01Å; W35-L106 HydrophobicContact CH2-CD1 4.24Å; W35-L106 HydrophobicContact CH2-CD2 4.2Å; W35-L106 HydrophobicContact CH2-CG 4.4Å; W35-L106 HydrophobicContact CZ2-CB 4.43Å; W35-L106 HydrophobicContact CZ2-CD1 4.49Å
36L96Very high86.3Confident1 Ų159.2 Ų59.21%0.00533%0.325CS..Hα-helixtrans-76.2-40.5-169.3-179.561.3000112.8W32 P33 P34 L39 L40 L106 I160W32-L36 HydrophobicContact CB-CD2 4.32Å; W32-L36 HydrophobicContact CD2-CD2 3.94Å; W32-L36 HydrophobicContact CE3-CD2 3.39Å; W32-L36 HydrophobicContact CG-CD2 4.36Å; W32-L36 HydrophobicContact CZ3-CD2 3.96Å; P33-L36 WeakPolarHBondContact O-CB 3.29Å; P33-L36 PolarHBondContact O-N 3.22Å; P34-L36 VanDerWaalsContact C-N 3.28Å; P34-L36 PolarHBondContact O-N 2.92Å; L36-L39 HydrophobicContact CD1-CD2 4.26Å; L36-L40 WeakPolarHBondContact O-CG 3.45Å; L36-L40 PolarHBondContact O-N 3.29Å; L36-L106 HydrophobicContact CD1-CD2 3.94Å; L36-L106 HydrophobicContact CD2-CD1 3.95Å; L36-L106 HydrophobicContact CD2-CD2 4.02Å; L36-I160 HydrophobicContact CD1-CD1 4.26Å; L36-I160 HydrophobicContact CD2-CD1 3.45Å; L36-I160 VanDerWaalsContact CD2-CD1 3.45Å; L36-I160 HydrophobicContact CD2-CG1 3.84Å; L36-I160 HydrophobicContact CG-CD1 3.5Å; L36-I160 VanDerWaalsContact CG-CD1 3.5Å; L36-I160 HydrophobicContact CG-CG1 4.43Å
37R95.1Very high88.3Confident85 Ų8562 Ų6232%0.32133%0.325SS..Hα-helixtrans-66.3-48.9175-73.2-177.5172.7-144.7-3.8111.8D25 D28 L39 L40 S41D25-R37 IonicContact OD1-CZ 3.53Å; D25-R37 IonicContact OD1-NH1 2.99Å; D25-R37 PolarHBondContact OD1-NH1 3.35Å; D25-R37 IonicContact OD2-NH1 2.67Å; D28-R37 VanDerWaalsContact CB-NH2 3.31Å; D28-R37 VanDerWaalsContact CG-NH2 3.3Å; D28-R37 IonicContact OD2-CZ 3.4Å; D28-R37 IonicContact OD2-NH2 3.14Å; D28-R37 PolarHBondContact OD2-NH2 3.09Å; R37-L39 VanDerWaalsContact C-N 3.32Å; R37-L39 PolarHBondContact O-N 3.43Å; R37-L40 PolarHBondContact O-N 2.81Å; R37-L40 VanDerWaalsContact O-N 3.17Å; R37-S41 PolarHBondContact O-N 2.86Å; R37-S41 PolarHBondContact O-OG 2.66Å
38P96.9Very high90.3Very high43 Ų4359.6 Ų59.628%0.27931%0.308SS..Hα-helixtrans-57.6-41.1173.8-25.435.4000112.9P34 L40 S41 A42 Y62P34-P38 WeakPolarHBondContact O-CD 3.38Å; P38-L40 VanDerWaalsContact C-N 3.34Å; P38-L40 PolarHBondContact O-N 3.42Å; P38-S41 WeakPolarHBondContact CA-OG 3.27Å; P38-S41 PolarHBondContact O-N 2.7Å; P38-S41 VanDerWaalsContact O-N 3.13Å; P38-S41 PolarHBondContact O-OG 3.23Å; P38-A42 WeakPolarHBondContact O-CB 3.27Å; P38-A42 PolarHBondContact O-N 3.13Å; P38-Y62 WeakPolarHBondContact CB-OH 3.45Å
39L97.5Very high92.2Very high0 Ų070.5 Ų70.50%035%0.348CS..Hα-helixtrans-55-45.2174.6169.262.6000112.7W35 L36 R37 S41 A42 F44 Y62 I86 I88 I97 L124W35-L39 HydrophobicContact CE3-CB 4.45Å; W35-L39 HydrophobicContact CE3-CD2 3.94Å; W35-L39 HydrophobicContact CZ3-CD2 3.65Å; W35-L39 WeakPolarHBondContact O-CB 3.43Å; W35-L39 PolarHBondContact O-N 3.08Å; L36-L39 HydrophobicContact CD1-CD2 4.26Å; R37-L39 VanDerWaalsContact C-N 3.32Å; R37-L39 PolarHBondContact O-N 3.43Å; L39-S41 VanDerWaalsContact C-N 3.3Å; L39-S41 PolarHBondContact O-N 3.17Å; L39-A42 PolarHBondContact O-N 2.84Å; L39-F44 HydrophobicContact CD1-CE2 4.14Å; L39-F44 HydrophobicContact CD1-CZ 3.79Å; L39-Y62 HydrophobicContact CB-CD1 4.3Å; L39-Y62 HydrophobicContact CB-CE1 3.76Å; L39-Y62 HydrophobicContact CB-CE2 4.41Å; L39-Y62 HydrophobicContact CD1-CD1 3.81Å; L39-Y62 HydrophobicContact CD1-CD2 4.27Å; L39-Y62 HydrophobicContact CD1-CE1 4.15Å; L39-Y62 HydrophobicContact CD1-CG 3.86Å; L39-Y62 HydrophobicContact CG-CD1 4.5Å; L39-Y62 HydrophobicContact CG-CE1 4.42Å; L39-Y62 PolarHBondContact N-OH 3Å; L39-I86 HydrophobicContact CD1-CD1 4.01Å; L39-I86 HydrophobicContact CD2-CD1 3.74Å; L39-I88 HydrophobicContact CD1-CD1 3.84Å; L39-I97 HydrophobicContact CD2-CD1 4.21Å; L39-L124 HydrophobicContact CD1-CD2 4.13Å; L39-L124 HydrophobicContact CG-CD2 4.33Å
40L96.9Very high93.9Very high23 Ų2371.6 Ų71.612%0.1235%0.354CS..Hα-helixtrans-73.1-22.5-179.5-66.6-173.3000113.8L36 R37 P38 L124 N125 L156 G157 I160L36-L40 WeakPolarHBondContact O-CG 3.45Å; L36-L40 PolarHBondContact O-N 3.29Å; R37-L40 PolarHBondContact O-N 2.81Å; R37-L40 VanDerWaalsContact O-N 3.17Å; P38-L40 VanDerWaalsContact C-N 3.34Å; P38-L40 PolarHBondContact O-N 3.42Å; L40-L124 HydrophobicContact CD2-CB 3.58Å; L40-L124 HydrophobicContact CD2-CD2 4.31Å; L40-L124 HydrophobicContact CD2-CG 3.85Å; L40-L124 WeakPolarHBondContact CD2-O 3.03Å; L40-N125 PolarHBondContact O-ND2 2.81Å; L40-L156 HydrophobicContact CD2-CB 4.22Å; L40-G157 VanDerWaalsContact CD1-CA 3.43Å; L40-I160 HydrophobicContact CD1-CD1 3.41Å; L40-I160 VanDerWaalsContact CD1-CD1 3.41Å; L40-I160 HydrophobicContact CG-CD1 4.47Å
41S96.4Very high95.3Very high99 Ų9962.9 Ų62.969%0.69232%0.323SS*.Hα-helixtrans-89.7-13.8175.767.70000114.3R37 P38 L39R37-S41 PolarHBondContact O-N 2.86Å; R37-S41 PolarHBondContact O-OG 2.66Å; P38-S41 WeakPolarHBondContact CA-OG 3.27Å; P38-S41 PolarHBondContact O-N 2.7Å; P38-S41 VanDerWaalsContact O-N 3.13Å; P38-S41 PolarHBondContact O-OG 3.23Å; L39-S41 VanDerWaalsContact C-N 3.3Å; L39-S41 PolarHBondContact O-N 3.17Å
42A96.8Very high95.6Very high19 Ų1958.8 Ų58.816%0.15732%0.316CS..  trans-73.4142.4-173.400000112.5P38 L39 F44 Y62P38-A42 WeakPolarHBondContact O-CB 3.27Å; P38-A42 PolarHBondContact O-N 3.13Å; L39-A42 PolarHBondContact O-N 2.84Å; A42-F44 HydrophobicContact CB-CE1 4.36Å; A42-F44 HydrophobicContact CB-CE2 3.68Å; A42-F44 HydrophobicContact CB-CZ 3.55Å; A42-F44 WeakPolarHBondContact O-CD2 3.39Å; A42-F44 WeakPolarHBondContact O-CE2 3.22Å; A42-Y62 HydrophobicContact CB-CE2 4.41Å
43S96.6Very high95.7Very high85 Ų8565.1 Ų65.159%0.59435%0.353SS*.  trans-90.5112.6175.350.30000111.3A70S43-A70 WeakPolarHBondContact O-CB 3.29Å
44F97.2Very high95.6Very high11 Ų1164.8 Ų64.85%0.04835%0.354CS..  trans-96.1164.7179.2-63.9-73000112.8L39 A42 V46 Y62 A70 I88 L124L39-F44 HydrophobicContact CD1-CE2 4.14Å; L39-F44 HydrophobicContact CD1-CZ 3.79Å; A42-F44 HydrophobicContact CB-CE1 4.36Å; A42-F44 HydrophobicContact CB-CE2 3.68Å; A42-F44 HydrophobicContact CB-CZ 3.55Å; A42-F44 WeakPolarHBondContact O-CD2 3.39Å; A42-F44 WeakPolarHBondContact O-CE2 3.22Å; F44-V46 PolarHBondContact O-N 2.94Å; F44-Y62 HydrophobicContact CE1-CD2 4.09Å; F44-Y62 HydrophobicContact CE1-CG 4.41Å; F44-Y62 AromaticContact CZ-CD2 3.87Å; F44-Y62 HydrophobicContact CZ-CD2 3.87Å; F44-Y62 HydrophobicContact CZ-CG 4.25Å; F44-A70 HydrophobicContact CD1-CB 3.45Å; F44-A70 VanDerWaalsContact CD1-CB 3.45Å; F44-A70 HydrophobicContact CE1-CB 3.58Å; F44-A70 HydrophobicContact CG-CB 4.35Å; F44-I88 HydrophobicContact CB-CG2 4.24Å; F44-I88 HydrophobicContact CD1-CB 3.98Å; F44-I88 HydrophobicContact CD1-CG1 3.56Å; F44-I88 HydrophobicContact CD1-CG2 4.4Å; F44-I88 HydrophobicContact CD2-CB 4.38Å; F44-I88 HydrophobicContact CD2-CG1 4.05Å; F44-I88 HydrophobicContact CD2-CG2 3.95Å; F44-I88 HydrophobicContact CE1-CB 4.39Å; F44-I88 HydrophobicContact CE1-CD1 4.48Å; F44-I88 HydrophobicContact CE1-CG1 3.46Å; F44-I88 VanDerWaalsContact CE1-CG1 3.46Å; F44-I88 HydrophobicContact CE2-CG1 3.94Å; F44-I88 HydrophobicContact CE2-CG2 4.49Å; F44-I88 HydrophobicContact CG-CB 4Å; F44-I88 HydrophobicContact CG-CG1 3.88Å; F44-I88 HydrophobicContact CG-CG2 3.9Å; F44-I88 HydrophobicContact CZ-CD1 4.31Å; F44-I88 HydrophobicContact CZ-CG1 3.67Å; F44-L124 HydrophobicContact CE2-CD2 4.14Å
45F96.1Very high95.3Very high33 Ų3369.2 Ų69.215%0.14537%0.366CS..SBendtrans61.527.2178.6-43.9-89.9000113.9E58 C59 N60 I88 R89 R90 D95F45-E58 HydrophobicContact CB-CG 4.19Å; F45-E58 HydrophobicContact CD1-CG 4.26Å; F45-E58 WeakPolarHBondContact CD1-OE1 3.13Å; F45-C59 PolarHBondContact N-O 3.32Å; F45-N60 HydrophobicContact CD1-CB 4.11Å; F45-N60 HydrophobicContact CE1-CB 3.83Å; F45-N60 HydrophobicContact CZ-CB 4.41Å; F45-I88 HydrophobicContact CE2-CG2 4.01Å; F45-I88 HydrophobicContact CZ-CB 4.41Å; F45-I88 HydrophobicContact CZ-CG2 4.09Å; F45-R89 VanDerWaalsContact CZ-C 3.49Å; F45-R90 VanDerWaalsContact CB-NH2 3.33Å; F45-R90 HydrophobicContact CE1-CB 4.14Å; F45-R90 HydrophobicContact CE2-CB 4.15Å; F45-R90 HydrophobicContact CZ-CB 3.89Å; F45-D95 VanDerWaalsContact CE2-OD1 3.26Å; F45-D95 WeakPolarHBondContact CE2-OD1 3.3Å
46V95.4Very high95Very high65 Ų6574.4 Ų74.439%0.39439%0.389SS..EExtended strand (participates in β ladder)trans-85.4155.4167.9-61.80000110.4F44 C59F44-V46 PolarHBondContact O-N 2.94Å; V46-C59 HydrophobicContact CG2-CB 3.78Å; V46-C59 WeakPolarHBondContact O-CB 3.44Å; V46-C59 PolarHBondContact O-N 2.69Å
47Q95.9Very high94.9Very high109 Ų10974.9 Ų74.951%0.50939%0.392SS..EExtended strand (participates in β ladder)trans-70.7131.7175.3-161.273.2-1000110.8R49 A52 S57Q47-R49 PolarHBondContact O-N 3.07Å; Q47-A52 PolarHBondContact NE2-O 3.4Å; Q47-S57 VanDerWaalsContact CD-OG 3.29Å; Q47-S57 PolarHBondContact NE2-OG 3.46Å; Q47-S57 PolarHBondContact OE1-OG 2.98Å
48C96.9Very high95Very high6 Ų674.5 Ų74.54%0.04139%0.394CS..PPolyproline II helixtrans-64.5125.3172.1-178.70000110.9V50 H51 A52 S57 C72C48-V50 VanDerWaalsContact C-N 3.28Å; C48-V50 PolarHBondContact O-N 2.66Å; C48-V50 PolarHBondContact SG-N 3.2Å; C48-H51 HydrophobicContact CB-CB 4.3Å; C48-H51 PolarHBondContact SG-N 2.77Å; C48-A52 VanDerWaalsContact O-CA 3.27Å; C48-A52 WeakPolarHBondContact O-CA 3.42Å; C48-A52 PolarHBondContact O-N 3.17Å; C48-S57 WeakPolarHBondContact CB-O 3.46Å; C48-S57 PolarHBondContact N-O 3.28Å; C48-C72 HydrophobicContact CB-CB 3.87Å; C48-C72 VanDerWaalsContact SG-SG 3.61Å
49R94.5Very high95Very high249 Ų24972.9 Ų72.994%0.9438%0.384SS*.SBendtrans-67.8-24.7178.5-59.9-176.5-177-173.60.4114.1Q47Q47-R49 PolarHBondContact O-N 3.07Å
50V95.1Very high95Very high117 Ų11774.2 Ų74.271%0.70939%0.391SS*.SBendtrans-90.4-30.3-178-179.40000111.8C48C48-V50 VanDerWaalsContact C-N 3.28Å; C48-V50 PolarHBondContact O-N 2.66Å; C48-V50 PolarHBondContact SG-N 3.2Å
51H95.8Very high95.1Very high54 Ų5474.3 Ų74.325%0.2539%0.391CS..SBendtrans-121.639.7-174.9-56.4110.9000110.9C48 D53 A54 S57 L74 C75C48-H51 HydrophobicContact CB-CB 4.3Å; C48-H51 PolarHBondContact SG-N 2.77Å; H51-D53 VanDerWaalsContact C-N 3.26Å; H51-D53 PolarHBondContact O-N 2.66Å; H51-A54 HydrophobicContact CB-CB 4.14Å; H51-A54 WeakPolarHBondContact O-CB 3.42Å; H51-A54 PolarHBondContact O-N 2.99Å; H51-A54 VanDerWaalsContact O-N 3.13Å; H51-S57 WeakPolarHBondContact O-CB 3.39Å; H51-L74 HydrophobicContact CB-CD1 3.92Å; H51-C75 VanDerWaalsContact CE1-SG 3.56Å; H51-C75 PolarHBondContact ND1-SG 3.24Å; H51-C75 VanDerWaalsContact ND1-SG 3.39Å
52A93.4Very high95.2Very high42 Ų4269.6 Ų69.635%0.34736%0.358SS..THydrogen-bonded Turntrans-57.4-36.9-168.200000113.3Q47 C48Q47-A52 PolarHBondContact NE2-O 3.4Å; C48-A52 VanDerWaalsContact O-CA 3.27Å; C48-A52 WeakPolarHBondContact O-CA 3.42Å; C48-A52 PolarHBondContact O-N 3.17Å
53D92Very high95.2Very high167 Ų16768.8 Ų68.889%0.89335%0.351SS*.THydrogen-bonded Turntrans-91.50.5-176-47.6-64.8000113.7H51H51-D53 VanDerWaalsContact C-N 3.26Å; H51-D53 PolarHBondContact O-N 2.66Å
54A92.9Very high95.2Very high32 Ų3265 Ų6526%0.26432%0.324SS..SBendtrans-85.3143.6-17700000112.6H51 K56 S57 L74H51-A54 HydrophobicContact CB-CB 4.14Å; H51-A54 WeakPolarHBondContact O-CB 3.42Å; H51-A54 PolarHBondContact O-N 2.99Å; H51-A54 VanDerWaalsContact O-N 3.13Å; A54-K56 PolarHBondContact O-N 2.69Å; A54-S57 WeakPolarHBondContact O-CB 3.48Å; A54-S57 PolarHBondContact O-N 3.41Å; A54-S57 VanDerWaalsContact O-N 3.07Å; A54-S57 PolarHBondContact O-OG 2.74Å; A54-L74 HydrophobicContact CB-CD1 3.52Å
55H87.3Confident95.2Very high189 Ų18968.1 Ų68.188%0.87534%0.342SS*.THydrogen-bonded Turntrans-59.5-13175.5-174-73.2000114.6
56K90Very high95.3Very high133 Ų13369.3 Ų69.358%0.57835%0.353SS*.THydrogen-bonded Turntrans-120.536.8177.7-61.9-174.5-179.1179.20111.9A54 C72 A73 L74A54-K56 PolarHBondContact O-N 2.69Å; K56-C72 WeakPolarHBondContact O-CB 3.4Å; K56-A73 HydrophobicContact CB-CB 4.31Å; K56-A73 HydrophobicContact CD-CB 4.48Å; K56-L74 HydrophobicContact CB-CG 4.4Å
57S95Very high95.2Very high12 Ų1269.6 Ų69.68%0.08435%0.351CS..  trans-77.6-21-178.458.20000114.7Q47 C48 H51 A54 C59 C72Q47-S57 VanDerWaalsContact CD-OG 3.29Å; Q47-S57 PolarHBondContact NE2-OG 3.46Å; Q47-S57 PolarHBondContact OE1-OG 2.98Å; C48-S57 WeakPolarHBondContact CB-O 3.46Å; C48-S57 PolarHBondContact N-O 3.28Å; H51-S57 WeakPolarHBondContact O-CB 3.39Å; A54-S57 WeakPolarHBondContact O-CB 3.48Å; A54-S57 PolarHBondContact O-N 3.41Å; A54-S57 VanDerWaalsContact O-N 3.07Å; A54-S57 PolarHBondContact O-OG 2.74Å; S57-C59 PolarHBondContact O-N 2.89Å; S57-C72 VanDerWaalsContact O-CB 3.31Å; S57-C72 WeakPolarHBondContact O-CB 3.17Å
58E96.8Very high95.1Very high77 Ų7767.6 Ų67.636%0.3636%0.36SS..EExtended strand (participates in β ladder)trans-64.3126.6-178.4-172.9-17474.500111.7F45 N60 C72F45-E58 HydrophobicContact CB-CG 4.19Å; F45-E58 HydrophobicContact CD1-CG 4.26Å; F45-E58 WeakPolarHBondContact CD1-OE1 3.13Å; E58-N60 PolarHBondContact O-N 3.23Å; E58-N60 PolarHBondContact OE1-ND2 3.01Å; E58-C72 WeakPolarHBondContact O-CA 3.31Å; E58-C72 WeakPolarHBondContact O-CB 3.48Å
59C97.6Very high95Very high8 Ų868.4 Ų68.45%0.05437%0.369CS..EExtended strand (participates in β ladder)trans-80.581.9178-70.30000111.9F45 V46 S57 A70 L71F45-C59 PolarHBondContact N-O 3.32Å; V46-C59 HydrophobicContact CG2-CB 3.78Å; V46-C59 WeakPolarHBondContact O-CB 3.44Å; V46-C59 PolarHBondContact O-N 2.69Å; S57-C59 PolarHBondContact O-N 2.89Å; C59-A70 HydrophobicContact CB-CB 3.81Å; C59-L71 CarbonylContact C-O 3.44Å; C59-L71 VanDerWaalsContact CA-O 3.3Å; C59-L71 WeakPolarHBondContact CA-O 3.26Å
60N97.5Very high95.1Very high28 Ų2857.7 Ų57.715%0.1533%0.334CS..  trans-116.75.1179.264.127.7000114.4F45 E58 L71 I88F45-N60 HydrophobicContact CD1-CB 4.11Å; F45-N60 HydrophobicContact CE1-CB 3.83Å; F45-N60 HydrophobicContact CZ-CB 4.41Å; E58-N60 PolarHBondContact O-N 3.23Å; E58-N60 PolarHBondContact OE1-ND2 3.01Å; N60-L71 PolarHBondContact N-O 2.97Å; N60-I88 PolarHBondContact O-N 3.02Å
61M97.7Very high95.3Very high25 Ų2553.4 Ų53.412%0.12331%0.307CS..EExtended strand (participates in β ladder)trans-101.5154.3172.5-56.7-57.8-63.200110.6L71 L76 I86 Q87M61-L71 WeakPolarHBondContact CA-O 3.28Å; M61-L71 HydrophobicContact CB-CB 4.32Å; M61-L71 WeakPolarHBondContact CB-O 3.43Å; M61-L71 PolarHBondContact N-O 3Å; M61-L71 PolarHBondContact O-N 3.39Å; M61-L76 HydrophobicContact CB-CD2 4.26Å; M61-L76 HydrophobicContact CE-CD2 3.64Å; M61-L76 HydrophobicContact CG-CD2 4.1Å; M61-I86 CarbonylContact C-O 3.6Å; M61-Q87 HydrophobicContact CE-CB 3.96Å; M61-Q87 HydrophobicContact SD-CB 3.64Å; M61-Q87 HydrophobicContact SD-CG 3.72Å
62Y98.2Very high95.3Very high0 Ų050.8 Ų50.80%030%0.295CS..EExtended strand (participates in β ladder)trans-138.6131.3174.6-176-97.7000110.2W35 P38 L39 A42 F44 L64 G69 S85 I86W35-Y62 HydrophobicContact CB-CE1 4.41Å; W35-Y62 PolarHBondContact O-OH 2.92Å; W35-Y62 VanDerWaalsContact O-OH 3.04Å; P38-Y62 WeakPolarHBondContact CB-OH 3.45Å; L39-Y62 HydrophobicContact CB-CD1 4.3Å; L39-Y62 HydrophobicContact CB-CE1 3.76Å; L39-Y62 HydrophobicContact CB-CE2 4.41Å; L39-Y62 HydrophobicContact CD1-CD1 3.81Å; L39-Y62 HydrophobicContact CD1-CD2 4.27Å; L39-Y62 HydrophobicContact CD1-CE1 4.15Å; L39-Y62 HydrophobicContact CD1-CG 3.86Å; L39-Y62 HydrophobicContact CG-CD1 4.5Å; L39-Y62 HydrophobicContact CG-CE1 4.42Å; L39-Y62 PolarHBondContact N-OH 3Å; A42-Y62 HydrophobicContact CB-CE2 4.41Å; F44-Y62 HydrophobicContact CE1-CD2 4.09Å; F44-Y62 HydrophobicContact CE1-CG 4.41Å; F44-Y62 AromaticContact CZ-CD2 3.87Å; F44-Y62 HydrophobicContact CZ-CD2 3.87Å; F44-Y62 HydrophobicContact CZ-CG 4.25Å; Y62-L64 HydrophobicContact CD1-CD2 3.84Å; Y62-L64 HydrophobicContact CE1-CD2 3.99Å; Y62-G69 WeakPolarHBondContact CD2-O 3.21Å; Y62-S85 CarbonylContact O-C 3.54Å; Y62-S85 WeakPolarHBondContact O-CA 3.04Å; Y62-S85 VanDerWaalsContact O-CB 3.32Å; Y62-S85 WeakPolarHBondContact O-CB 3.42Å; Y62-I86 HydrophobicContact CD1-CD1 4.4Å; Y62-I86 HydrophobicContact CD1-CG1 4.29Å; Y62-I86 PolarHBondContact N-O 3.34Å; Y62-I86 PolarHBondContact O-N 3.33Å
63C97.8Very high95.4Very high2 Ų250.6 Ų50.61%0.01429%0.293CS..EExtended strand (participates in β ladder)trans-95.5118.7178.1177.40000110D65 C66 M67 L71 H83C63-D65 VanDerWaalsContact C-N 3.34Å; C63-C66 HydrophobicContact CB-CB 4.23Å; C63-C66 PolarHBondContact SG-N 2.81Å; C63-C66 VanDerWaalsContact SG-N 3.44Å; C63-M67 PolarHBondContact O-N 2.84Å; C63-L71 HydrophobicContact CB-CD1 3.83Å; C63-H83 PolarHBondContact SG-ND1 3.18Å
64L97.3Very high95.7Very high6 Ų645.7 Ų45.73%0.03127%0.266CS..THydrogen-bonded Turntrans-69.2-34.2-177.7-54.7-178.5000111.7W35 Y62 M67 H84 I86 V105W35-L64 HydrophobicContact CB-CB 4.47Å; W35-L64 VanDerWaalsContact CB-O 3.28Å; W35-L64 WeakPolarHBondContact CB-O 3.25Å; W35-L64 HydrophobicContact CD2-CB 4.42Å; W35-L64 HydrophobicContact CD2-CD2 3.72Å; W35-L64 HydrophobicContact CE3-CD2 3.67Å; W35-L64 HydrophobicContact CG-CB 4.08Å; W35-L64 HydrophobicContact CG-CD2 4.14Å; W35-L64 HydrophobicContact CZ3-CD2 4.1Å; Y62-L64 HydrophobicContact CD1-CD2 3.84Å; Y62-L64 HydrophobicContact CE1-CD2 3.99Å; L64-M67 WeakPolarHBondContact O-CG 3.38Å; L64-H84 HydrophobicContact CB-CB 4.2Å; L64-H84 HydrophobicContact CD1-CB 4Å; L64-H84 HydrophobicContact CG-CB 4.34Å; L64-H84 PolarHBondContact N-O 3.02Å; L64-I86 HydrophobicContact CD1-CG2 4.3Å; L64-I86 HydrophobicContact CD2-CD1 3.99Å; L64-I86 HydrophobicContact CD2-CG1 4.1Å; L64-I86 HydrophobicContact CD2-CG2 4.4Å; L64-V105 HydrophobicContact CD1-CB 4.17Å; L64-V105 HydrophobicContact CD1-CG1 3.93Å; L64-V105 HydrophobicContact CD1-CG2 3.89Å
65D97.1Very high95.9Very high77 Ų7745.2 Ų45.241%0.41226%0.261SS..THydrogen-bonded Turntrans-79.5-33.3-176.3-48.3-48.7000112.1C63 H83 H84C63-D65 VanDerWaalsContact C-N 3.34Å; D65-H83 VanDerWaalsContact OD2-CA 3.22Å; D65-H83 WeakPolarHBondContact OD2-CA 3.41Å; D65-H83 VanDerWaalsContact OD2-CB 3.28Å; D65-H83 WeakPolarHBondContact OD2-CB 3.49Å; D65-H83 IonicContact OD2-CG 3.72Å; D65-H84 IonicContact OD1-ND1 3.37Å; D65-H84 PolarHBondContact OD1-ND1 3Å; D65-H84 IonicContact OD2-CG 3.96Å; D65-H84 PolarHBondContact OD2-N 3.46Å; D65-H84 IonicContact OD2-ND1 3.51Å
66C96.6Very high96.3Very high57 Ų5737.4 Ų37.439%0.38523%0.225SC..THydrogen-bonded Turntrans-93.1-26-178.7-67.30000114.7C63 G68 H80 H83C63-C66 HydrophobicContact CB-CB 4.23Å; C63-C66 PolarHBondContact SG-N 2.81Å; C63-C66 VanDerWaalsContact SG-N 3.44Å; C66-G68 PolarHBondContact O-N 2.67Å; C66-H80 PolarHBondContact SG-CE1 3.25Å; C66-H80 PolarHBondContact SG-ND1 2.82Å; C66-H80 VanDerWaalsContact SG-ND1 3.41Å; C66-H83 PolarHBondContact SG-CE1 2.78Å; C66-H83 PolarHBondContact SG-ND1 2.83Å
67M94.6Very high96.5Very high71 Ų7133.6 Ų33.635%0.3522%0.219SC..  trans56.413.2178.3-53.9177.2-79.900115.7P34 W35 C63 L64 G69P34-M67 VanDerWaalsContact C-SD 3.55Å; P34-M67 HydrophobicContact CB-SD 3.97Å; P34-M67 HydrophobicContact CG-SD 4.3Å; W35-M67 WeakPolarHBondContact CA-SD 3.33Å; W35-M67 HydrophobicContact CB-CG 3.64Å; W35-M67 HydrophobicContact CB-SD 3.9Å; W35-M67 PolarHBondContact N-SD 2.88Å; W35-M67 VanDerWaalsContact N-SD 3.43Å; C63-M67 PolarHBondContact O-N 2.84Å; L64-M67 WeakPolarHBondContact O-CG 3.38Å; M67-G69 PolarHBondContact O-N 2.84Å
68G93Very high96.6Very high68 Ų6836.2 Ų36.270%0.70124%0.241SC*.  trans-78.227.4-171.900000116C66C66-G68 PolarHBondContact O-N 2.67Å
69G95.2Very high96.5Very high23 Ų2342.3 Ų42.324%0.23726%0.261CS..SBendtrans77.4-160.4-176.300000114.4Y62 M67Y62-G69 WeakPolarHBondContact CD2-O 3.21Å; M67-G69 PolarHBondContact O-N 2.84Å
70A97.4Very high96.4Very high23 Ų2343 Ų4319%0.1926%0.263CS..EExtended strand (participates in β ladder)trans-78.9135.4-173.500000112.9S43 F44 C59S43-A70 WeakPolarHBondContact O-CB 3.29Å; F44-A70 HydrophobicContact CD1-CB 3.45Å; F44-A70 VanDerWaalsContact CD1-CB 3.45Å; F44-A70 HydrophobicContact CE1-CB 3.58Å; F44-A70 HydrophobicContact CG-CB 4.35Å; C59-A70 HydrophobicContact CB-CB 3.81Å
71L97.5Very high96.2Very high27 Ų2751.1 Ų51.114%0.14129%0.292CS..EExtended strand (participates in β ladder)trans-119.2146.8-178.1-60.4172.3000110.2C59 N60 M61 C63 C75 L76C59-L71 CarbonylContact C-O 3.44Å; C59-L71 VanDerWaalsContact CA-O 3.3Å; C59-L71 WeakPolarHBondContact CA-O 3.26Å; N60-L71 PolarHBondContact N-O 2.97Å; M61-L71 WeakPolarHBondContact CA-O 3.28Å; M61-L71 HydrophobicContact CB-CB 4.32Å; M61-L71 WeakPolarHBondContact CB-O 3.43Å; M61-L71 PolarHBondContact N-O 3Å; M61-L71 PolarHBondContact O-N 3.39Å; C63-L71 HydrophobicContact CB-CD1 3.83Å; L71-C75 HydrophobicContact CB-CB 4.33Å; L71-C75 HydrophobicContact CD2-CB 4.2Å; L71-L76 HydrophobicContact CD1-CD1 4.14Å
72C97.3Very high96.1Very high0 Ų057.3 Ų57.30%033%0.326CS..  trans-84.1164.8165780000111C48 K56 S57 E58 L74 C75 L76C48-C72 HydrophobicContact CB-CB 3.87Å; C48-C72 VanDerWaalsContact SG-SG 3.61Å; K56-C72 WeakPolarHBondContact O-CB 3.4Å; S57-C72 VanDerWaalsContact O-CB 3.31Å; S57-C72 WeakPolarHBondContact O-CB 3.17Å; E58-C72 WeakPolarHBondContact O-CA 3.31Å; E58-C72 WeakPolarHBondContact O-CB 3.48Å; C72-L74 PolarHBondContact O-N 3.17Å; C72-L74 VanDerWaalsContact O-N 3.16Å; C72-C75 PolarHBondContact O-N 3.41Å; C72-C75 VanDerWaalsContact O-N 3.16Å; C72-C75 VanDerWaalsContact SG-SG 3.62Å; C72-L76 PolarHBondContact O-N 3.31Å
73A95.9Very high96.1Very high38 Ų3860.8 Ų60.831%0.31434%0.342SS..Hα-helixtrans-59.1-30.4-177.500000113.2K56 A77K56-A73 HydrophobicContact CB-CB 4.31Å; K56-A73 HydrophobicContact CD-CB 4.48Å; A73-A77 WeakPolarHBondContact O-CB 3.3Å; A73-A77 PolarHBondContact O-N 3.36Å
74L96.5Very high96Very high63 Ų6366.4 Ų66.433%0.3337%0.367SS..Hα-helixtrans-73.2-43.2177.2-62.1174.1000112.1H51 A54 K56 C72 L76 A77 A78H51-L74 HydrophobicContact CB-CD1 3.92Å; A54-L74 HydrophobicContact CB-CD1 3.52Å; K56-L74 HydrophobicContact CB-CG 4.4Å; C72-L74 PolarHBondContact O-N 3.17Å; C72-L74 VanDerWaalsContact O-N 3.16Å; L74-L76 VanDerWaalsContact C-N 3.31Å; L74-L76 PolarHBondContact O-N 3.43Å; L74-A77 PolarHBondContact O-N 3.36Å; L74-A78 VanDerWaalsContact O-CB 3.3Å; L74-A78 WeakPolarHBondContact O-CB 3.25Å; L74-A78 PolarHBondContact O-N 3.18Å
75C96.8Very high96Very high22 Ų2268.1 Ų68.115%0.14938%0.38CS..Hα-helixtrans-59.7-43.1173.4-70.50000111.6H51 L71 C72 A78 R79H51-C75 VanDerWaalsContact CE1-SG 3.56Å; H51-C75 PolarHBondContact ND1-SG 3.24Å; H51-C75 VanDerWaalsContact ND1-SG 3.39Å; L71-C75 HydrophobicContact CB-CB 4.33Å; L71-C75 HydrophobicContact CD2-CB 4.2Å; C72-C75 PolarHBondContact O-N 3.41Å; C72-C75 VanDerWaalsContact O-N 3.16Å; C72-C75 VanDerWaalsContact SG-SG 3.62Å; C75-A78 PolarHBondContact O-N 3.45Å; C75-R79 PolarHBondContact O-N 3.23Å; C75-R79 VanDerWaalsContact O-N 3.07Å
76L95.9Very high96Very high25 Ų2564.7 Ų64.713%0.13136%0.362CS..Hα-helixtrans-60.4-52176.3-169.379.3000111.2M61 L71 C72 L74 A78 R79 H80M61-L76 HydrophobicContact CB-CD2 4.26Å; M61-L76 HydrophobicContact CE-CD2 3.64Å; M61-L76 HydrophobicContact CG-CD2 4.1Å; L71-L76 HydrophobicContact CD1-CD1 4.14Å; C72-L76 PolarHBondContact O-N 3.31Å; L74-L76 VanDerWaalsContact C-N 3.31Å; L74-L76 PolarHBondContact O-N 3.43Å; L76-A78 PolarHBondContact O-N 2.82Å; L76-R79 PolarHBondContact O-N 3.28Å; L76-H80 HydrophobicContact CD1-CB 3.71Å; L76-H80 HydrophobicContact CG-CB 4.32Å; L76-H80 CarbonylContact O-C 3.43Å; L76-H80 WeakPolarHBondContact O-CA 3.45Å; L76-H80 PolarHBondContact O-N 3.37Å
77A95.4Very high96Very high54 Ų5465 Ų6545%0.44636%0.358SS..Hα-helixtrans-65.7-23-179.600000114.3A73 L74 R81A73-A77 WeakPolarHBondContact O-CB 3.3Å; A73-A77 PolarHBondContact O-N 3.36Å; L74-A77 PolarHBondContact O-N 3.36Å; A77-R81 VanDerWaalsContact O-CG 3.32Å; A77-R81 WeakPolarHBondContact O-CG 3.24Å; A77-R81 PolarHBondContact O-NE 3.22Å
78A95.8Very high96.2Very high67 Ų6761.7 Ų61.755%0.55434%0.341SS*.Hα-helixtrans-86.3-36.7178.300000113.6L74 C75 L76L74-A78 VanDerWaalsContact O-CB 3.3Å; L74-A78 WeakPolarHBondContact O-CB 3.25Å; L74-A78 PolarHBondContact O-N 3.18Å; C75-A78 PolarHBondContact O-N 3.45Å; L76-A78 PolarHBondContact O-N 2.82Å
79R95.2Very high96.4Very high205 Ų20561.1 Ų61.177%0.77432%0.318SS*.Hα-helixtrans-127.9-5.2-166-63-178.367.7-173.70.4115.8C75 L76C75-R79 PolarHBondContact O-N 3.23Å; C75-R79 VanDerWaalsContact O-N 3.07Å; L76-R79 PolarHBondContact O-N 3.28Å
80H96.5Very high96.4Very high22 Ų2266.6 Ų66.610%0.10233%0.331CS..  trans-139.736.3-170.8-56.9-83.2000111.9C66 L76 D82 H83C66-H80 PolarHBondContact SG-CE1 3.25Å; C66-H80 PolarHBondContact SG-ND1 2.82Å; C66-H80 VanDerWaalsContact SG-ND1 3.41Å; L76-H80 HydrophobicContact CD1-CB 3.71Å; L76-H80 HydrophobicContact CG-CB 4.32Å; L76-H80 CarbonylContact O-C 3.43Å; L76-H80 WeakPolarHBondContact O-CA 3.45Å; L76-H80 PolarHBondContact O-N 3.37Å; H80-D82 PolarHBondContact O-N 2.76Å; H80-H83 HydrophobicContact CB-CB 4.16Å; H80-H83 AromaticContact ND1-ND1 3.71Å; H80-H83 PolarHBondContact O-N 3.26Å
81R93.4Very high96.2Very high198 Ų19866.2 Ų66.275%0.74733%0.328SS*.THydrogen-bonded Turntrans-61.2-42-174.3-69.7-172.9178-179.11.1113.1A77A77-R81 VanDerWaalsContact O-CG 3.32Å; A77-R81 WeakPolarHBondContact O-CG 3.24Å; A77-R81 PolarHBondContact O-NE 3.22Å
82D95.2Very high95.8Very high155 Ų15569.4 Ų69.483%0.82935%0.352SS*.THydrogen-bonded Turntrans-100.812.7-173.9-47.9-66.6000112.5H80H80-D82 PolarHBondContact O-N 2.76Å
83H97.2Very high95.5Very high74 Ų7479.8 Ų79.834%0.34339%0.393SS..SBendtrans-101.8146.8-175.9-70.4-151.9000111.4C63 D65 C66 H80 S85C63-H83 PolarHBondContact SG-ND1 3.18Å; D65-H83 VanDerWaalsContact OD2-CA 3.22Å; D65-H83 WeakPolarHBondContact OD2-CA 3.41Å; D65-H83 VanDerWaalsContact OD2-CB 3.28Å; D65-H83 WeakPolarHBondContact OD2-CB 3.49Å; D65-H83 IonicContact OD2-CG 3.72Å; C66-H83 PolarHBondContact SG-CE1 2.78Å; C66-H83 PolarHBondContact SG-ND1 2.83Å; H80-H83 HydrophobicContact CB-CB 4.16Å; H80-H83 AromaticContact ND1-ND1 3.71Å; H80-H83 PolarHBondContact O-N 3.26Å; H83-S85 PolarHBondContact O-N 3.35Å
84H96.1Very high95.5Very high119 Ų11980.8 Ų80.855%0.55139%0.391SS*.  trans-64.9126.1169.6-57.4100.4000110L64 D65L64-H84 HydrophobicContact CB-CB 4.2Å; L64-H84 HydrophobicContact CD1-CB 4Å; L64-H84 HydrophobicContact CG-CB 4.34Å; L64-H84 PolarHBondContact N-O 3.02Å; D65-H84 IonicContact OD1-ND1 3.37Å; D65-H84 PolarHBondContact OD1-ND1 3Å; D65-H84 IonicContact OD2-CG 3.96Å; D65-H84 PolarHBondContact OD2-N 3.46Å; D65-H84 IonicContact OD2-ND1 3.51Å
85S96.9Very high95.6Very high43 Ų4379.7 Ų79.730%0.30139%0.385SS..EExtended strand (participates in β ladder)trans-139155.6177.856.50000111.6Y62 H83Y62-S85 CarbonylContact O-C 3.54Å; Y62-S85 WeakPolarHBondContact O-CA 3.04Å; Y62-S85 VanDerWaalsContact O-CB 3.32Å; Y62-S85 WeakPolarHBondContact O-CB 3.42Å; H83-S85 PolarHBondContact O-N 3.35Å
86I97.3Very high95.6Very high4 Ų478.9 Ų78.92%0.02138%0.38CS..EExtended strand (participates in β ladder)trans-129.6145.7177.359.3172.9000110L39 M61 Y62 L64 I88 I97 E101L39-I86 HydrophobicContact CD1-CD1 4.01Å; L39-I86 HydrophobicContact CD2-CD1 3.74Å; M61-I86 CarbonylContact C-O 3.6Å; Y62-I86 HydrophobicContact CD1-CD1 4.4Å; Y62-I86 HydrophobicContact CD1-CG1 4.29Å; Y62-I86 PolarHBondContact N-O 3.34Å; Y62-I86 PolarHBondContact O-N 3.33Å; L64-I86 HydrophobicContact CD1-CG2 4.3Å; L64-I86 HydrophobicContact CD2-CD1 3.99Å; L64-I86 HydrophobicContact CD2-CG1 4.1Å; L64-I86 HydrophobicContact CD2-CG2 4.4Å; I86-I88 HydrophobicContact CD1-CD1 3.96Å; I86-I88 HydrophobicContact CG1-CD1 4.14Å; I86-I97 HydrophobicContact CD1-CD1 3.75Å; I86-I97 HydrophobicContact CD1-CG1 4.35Å; I86-E101 WeakPolarHBondContact CA-OE1 3.39Å; I86-E101 HydrophobicContact CB-CG 4.26Å; I86-E101 HydrophobicContact CG2-CG 4.02Å
87Q97.7Very high95.7Very high65 Ų6577.8 Ų77.830%0.30437%0.374SS..EExtended strand (participates in β ladder)trans-94.9117.6173.3-175.2176.946.700110.8M61 R89 E101M61-Q87 HydrophobicContact CE-CB 3.96Å; M61-Q87 HydrophobicContact SD-CB 3.64Å; M61-Q87 HydrophobicContact SD-CG 3.72Å; Q87-R89 HydrophobicContact CG-CG 4.31Å; Q87-R89 PolarHBondContact O-NH1 3.43Å; Q87-R89 VanDerWaalsContact OE1-NE 3.16Å; Q87-E101 PolarHBondContact N-OE1 3.47Å
88I98Very high95.8Very high1 Ų180.4 Ų80.41%0.00537%0.372CS..  trans-79.1140.8170.6-47.2-49.1000108.7L39 F44 F45 N60 I86 D95 I97L39-I88 HydrophobicContact CD1-CD1 3.84Å; F44-I88 HydrophobicContact CB-CG2 4.24Å; F44-I88 HydrophobicContact CD1-CB 3.98Å; F44-I88 HydrophobicContact CD1-CG1 3.56Å; F44-I88 HydrophobicContact CD1-CG2 4.4Å; F44-I88 HydrophobicContact CD2-CB 4.38Å; F44-I88 HydrophobicContact CD2-CG1 4.05Å; F44-I88 HydrophobicContact CD2-CG2 3.95Å; F44-I88 HydrophobicContact CE1-CB 4.39Å; F44-I88 HydrophobicContact CE1-CD1 4.48Å; F44-I88 HydrophobicContact CE1-CG1 3.46Å; F44-I88 VanDerWaalsContact CE1-CG1 3.46Å; F44-I88 HydrophobicContact CE2-CG1 3.94Å; F44-I88 HydrophobicContact CE2-CG2 4.49Å; F44-I88 HydrophobicContact CG-CB 4Å; F44-I88 HydrophobicContact CG-CG1 3.88Å; F44-I88 HydrophobicContact CG-CG2 3.9Å; F44-I88 HydrophobicContact CZ-CD1 4.31Å; F44-I88 HydrophobicContact CZ-CG1 3.67Å; F45-I88 HydrophobicContact CE2-CG2 4.01Å; F45-I88 HydrophobicContact CZ-CB 4.41Å; F45-I88 HydrophobicContact CZ-CG2 4.09Å; N60-I88 PolarHBondContact O-N 3.02Å; I86-I88 HydrophobicContact CD1-CD1 3.96Å; I86-I88 HydrophobicContact CG1-CD1 4.14Å; I88-D95 HydrophobicContact CG2-CB 3.8Å; I88-I97 HydrophobicContact CD1-CD1 3.82Å; I88-I97 HydrophobicContact CD1-CG1 3.56Å
89R97.1Very high95.9Very high55 Ų5577.4 Ų77.421%0.20835%0.347CS..EExtended strand (participates in β ladder)trans-129.7153.3179.9-61.9176.9-172.185.6-6108.8F45 Q87 V96 E101F45-R89 VanDerWaalsContact CZ-C 3.49Å; Q87-R89 HydrophobicContact CG-CG 4.31Å; Q87-R89 PolarHBondContact O-NH1 3.43Å; Q87-R89 VanDerWaalsContact OE1-NE 3.16Å; R89-V96 HydrophobicContact CB-CG2 4.08Å; R89-V96 PolarHBondContact N-O 3.19Å; R89-V96 VanDerWaalsContact O-CG2 3.29Å; R89-V96 WeakPolarHBondContact O-CG2 3.42Å; R89-V96 PolarHBondContact O-N 3.13Å; R89-E101 IonicContact CZ-OE2 3.36Å; R89-E101 IonicContact NH1-OE2 2.69Å; R89-E101 PolarHBondContact NH1-OE2 3.13Å; R89-E101 IonicContact NH2-OE2 3.08Å; R89-E101 PolarHBondContact NH2-OE2 3.19Å; R89-E101 VanDerWaalsContact NH2-OE2 3.08Å
90R95.2Very high96Very high138 Ų13870.9 Ų70.952%0.52133%0.333SS..EExtended strand (participates in β ladder)trans-102.3131.4-178.8-174.8171.7-77.9169.5-12.1110.3F45 H94F45-R90 VanDerWaalsContact CB-NH2 3.33Å; F45-R90 HydrophobicContact CE1-CB 4.14Å; F45-R90 HydrophobicContact CE2-CB 4.15Å; F45-R90 HydrophobicContact CZ-CB 3.89Å; R90-H94 WeakPolarHBondContact CA-O 3.47Å
91S93.1Very high96.1Very high16 Ų1671.5 Ų71.511%0.11234%0.336CS..EExtended strand (participates in β ladder)trans-136.3120.4172.2-175.20000109.8Y93 H94 I116S91-Y93 VanDerWaalsContact C-N 3.3Å; S91-Y93 PolarHBondContact O-N 2.98Å; S91-H94 PolarHBondContact N-O 2.85Å; S91-H94 PolarHBondContact O-N 3.08Å; S91-I116 VanDerWaalsContact OG-CD1 3.22Å; S91-I116 WeakPolarHBondContact OG-CD1 3.32Å
92S88.8Confident96.3Very high93 Ų9362.1 Ų62.165%0.6530%0.3SS*.THydrogen-bonded Turntrans46.950.6-178.1-56.30000113.2H94S92-H94 PolarHBondContact O-CD2 2.96Å; S92-H94 PolarHBondContact O-N 3.03Å
93Y92.5Very high96.3Very high218 Ų21859.9 Ų59.986%0.85529%0.285SS*.THydrogen-bonded Turntrans65.212.4-177.6-48.8-82000116.4S91S91-Y93 VanDerWaalsContact C-N 3.3Å; S91-Y93 PolarHBondContact O-N 2.98Å
94H95.7Very high96.3Very high59 Ų5964.4 Ų64.427%0.27330%0.304SS..EExtended strand (participates in β ladder)trans-121.9151176.2-59.7-72.9000112.5R90 S91 S92 F123 R127R90-H94 WeakPolarHBondContact CA-O 3.47Å; S91-H94 PolarHBondContact N-O 2.85Å; S91-H94 PolarHBondContact O-N 3.08Å; S92-H94 PolarHBondContact O-CD2 2.96Å; S92-H94 PolarHBondContact O-N 3.03Å; H94-F123 HydrophobicContact CB-CD1 3.84Å; H94-F123 HydrophobicContact CB-CE1 3.9Å; H94-R127 HydrophobicContact CB-CG 4.42Å; H94-R127 WeakPolarHBondContact CD2-CD 3.44Å
95D97.4Very high96.3Very high40 Ų4061.4 Ų61.421%0.21429%0.293CS..EExtended strand (participates in β ladder)trans-81.9132.8-178.3-60.9-16.8000110.6F45 I88 L124F45-D95 VanDerWaalsContact CE2-OD1 3.26Å; F45-D95 WeakPolarHBondContact CE2-OD1 3.3Å; I88-D95 HydrophobicContact CG2-CB 3.8Å; D95-L124 HydrophobicContact CB-CD1 4.25Å; D95-L124 HydrophobicContact CB-CD2 4.12Å; D95-L124 PolarHBondContact O-N 3.22Å; D95-L124 VanDerWaalsContact O-N 3.08Å
96V97.6Very high96.3Very high6 Ų660 Ų604%0.03628%0.283CS..EExtended strand (participates in β ladder)trans-135.5151-178.8-600000111.4R89 V121 V122 F123R89-V96 HydrophobicContact CB-CG2 4.08Å; R89-V96 PolarHBondContact N-O 3.19Å; R89-V96 VanDerWaalsContact O-CG2 3.29Å; R89-V96 WeakPolarHBondContact O-CG2 3.42Å; R89-V96 PolarHBondContact O-N 3.13Å; V96-V121 HydrophobicContact CB-CB 4.22Å; V96-V121 HydrophobicContact CB-CG2 4.47Å; V96-V121 HydrophobicContact CG2-CB 4.39Å; V96-V121 HydrophobicContact CG2-CG1 4.45Å; V96-V122 CarbonylContact C-O 3.6Å; V96-V122 VanDerWaalsContact CA-O 3.22Å; V96-V122 WeakPolarHBondContact CA-O 3.15Å; V96-V122 WeakPolarHBondContact CB-O 3.42Å; V96-F123 HydrophobicContact CG1-CB 4.46Å; V96-F123 HydrophobicContact CG1-CD1 3.34Å; V96-F123 HydrophobicContact CG1-CD2 4.15Å; V96-F123 HydrophobicContact CG1-CE1 3.41Å; V96-F123 VanDerWaalsContact CG1-CE1 3.41Å; V96-F123 HydrophobicContact CG1-CE2 4.22Å; V96-F123 HydrophobicContact CG1-CG 3.73Å; V96-F123 HydrophobicContact CG1-CZ 3.88Å
97I97.9Very high96.2Very high1 Ų164.6 Ų64.61%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-119146.4169.2-60.9147.6000108.6L39 I86 I88 E101 I102 V121 V122 L124L39-I97 HydrophobicContact CD2-CD1 4.21Å; I86-I97 HydrophobicContact CD1-CD1 3.75Å; I86-I97 HydrophobicContact CD1-CG1 4.35Å; I88-I97 HydrophobicContact CD1-CD1 3.82Å; I88-I97 HydrophobicContact CD1-CG1 3.56Å; I97-E101 HydrophobicContact CG2-CB 4.09Å; I97-E101 HydrophobicContact CG2-CG 4.29Å; I97-I102 HydrophobicContact CB-CB 4.41Å; I97-I102 HydrophobicContact CD1-CD1 4.44Å; I97-I102 HydrophobicContact CG2-CB 3.79Å; I97-I102 HydrophobicContact CG2-CG2 4.27Å; I97-V121 VanDerWaalsContact O-CA 3.31Å; I97-V121 WeakPolarHBondContact O-CA 3.43Å; I97-V122 PolarHBondContact N-O 2.72Å; I97-V122 PolarHBondContact O-N 3.31Å; I97-L124 HydrophobicContact CD1-CD1 3.52Å; I97-L124 HydrophobicContact CD1-CG 4.16Å; I97-L124 HydrophobicContact CG1-CD1 3.73Å
98R97.9Very high96.1Very high109 Ų10962.6 Ų62.641%0.41130%0.298SS..EExtended strand (participates in β ladder)trans-67.2135.9172.8-72.8-179.7177.4-162.9-0.6110S100 E101 I102 V121R98-S100 PolarHBondContact O-N 3.1Å; R98-E101 HydrophobicContact CB-CB 4.28Å; R98-E101 WeakPolarHBondContact O-CB 3.13Å; R98-E101 PolarHBondContact O-N 2.96Å; R98-I102 PolarHBondContact O-N 3.45Å; R98-V121 HydrophobicContact CG-CG1 4.41Å
99V98.1Very high96Very high5 Ų565.4 Ų65.43%0.0332%0.321CS..Hα-helixtrans-52.8-43.7176.9163.10000111.2E101 Q103 I108 T113 R120 V122V99-E101 PolarHBondContact O-N 3.46Å; V99-Q103 WeakPolarHBondContact O-CB 3.3Å; V99-Q103 WeakPolarHBondContact O-CG 3.28Å; V99-Q103 PolarHBondContact O-N 2.88Å; V99-I108 HydrophobicContact CB-CD1 4.35Å; V99-I108 HydrophobicContact CG1-CD1 3.81Å; V99-I108 HydrophobicContact CG2-CD1 4.03Å; V99-T113 HydrophobicContact CG2-CG2 3.8Å; V99-R120 HydrophobicContact CB-CB 3.86Å; V99-R120 HydrophobicContact CG2-CB 3.79Å; V99-R120 PolarHBondContact N-O 2.81Å; V99-V122 HydrophobicContact CG2-CG2 3.6Å
100S97.2Very high96Very high67 Ų6763.9 Ų63.947%0.46932%0.323SS..Hα-helixtrans-58.4-14.6177.358.60000115.6R98 K104R98-S100 PolarHBondContact O-N 3.1Å; S100-K104 VanDerWaalsContact O-CE 3.27Å; S100-K104 WeakPolarHBondContact O-CE 3.34Å
101E97Very high96.1Very high36 Ų3657.3 Ų57.317%0.16830%0.298CS..Hα-helixtrans-105.2-55-175-171164.5-168.700110I86 Q87 R89 I97 R98 V99 Q103 K104I86-E101 WeakPolarHBondContact CA-OE1 3.39Å; I86-E101 HydrophobicContact CB-CG 4.26Å; I86-E101 HydrophobicContact CG2-CG 4.02Å; Q87-E101 PolarHBondContact N-OE1 3.47Å; R89-E101 IonicContact CZ-OE2 3.36Å; R89-E101 IonicContact NH1-OE2 2.69Å; R89-E101 PolarHBondContact NH1-OE2 3.13Å; R89-E101 IonicContact NH2-OE2 3.08Å; R89-E101 PolarHBondContact NH2-OE2 3.19Å; R89-E101 VanDerWaalsContact NH2-OE2 3.08Å; I97-E101 HydrophobicContact CG2-CB 4.09Å; I97-E101 HydrophobicContact CG2-CG 4.29Å; R98-E101 HydrophobicContact CB-CB 4.28Å; R98-E101 WeakPolarHBondContact O-CB 3.13Å; R98-E101 PolarHBondContact O-N 2.96Å; V99-E101 PolarHBondContact O-N 3.46Å; E101-Q103 PolarHBondContact O-N 2.88Å; E101-K104 PolarHBondContact O-N 2.78Å
102I97.6Very high96.3Very high0 Ų057 Ų570%030%0.295CS..Hα-helixtrans-68.2-33.7179.7-169.961000113.4W35 I97 R98 K104 V105 L106 I108 V122 L156W35-I102 HydrophobicContact CH2-CD1 3.85Å; W35-I102 HydrophobicContact CZ3-CD1 4.19Å; I97-I102 HydrophobicContact CB-CB 4.41Å; I97-I102 HydrophobicContact CD1-CD1 4.44Å; I97-I102 HydrophobicContact CG2-CB 3.79Å; I97-I102 HydrophobicContact CG2-CG2 4.27Å; R98-I102 PolarHBondContact O-N 3.45Å; I102-K104 PolarHBondContact O-N 3.16Å; I102-V105 HydrophobicContact CD1-CG2 4.12Å; I102-V105 WeakPolarHBondContact O-CG2 3.22Å; I102-V105 PolarHBondContact O-N 3.34Å; I102-V105 VanDerWaalsContact O-N 3.12Å; I102-L106 HydrophobicContact CD1-CB 4.08Å; I102-L106 HydrophobicContact CD1-CD2 4.09Å; I102-L106 HydrophobicContact CG1-CB 4.17Å; I102-L106 HydrophobicContact CG1-CD2 4.17Å; I102-L106 PolarHBondContact O-N 2.9Å; I102-L106 VanDerWaalsContact O-N 3.1Å; I102-I108 HydrophobicContact CG1-CG2 4.22Å; I102-I108 HydrophobicContact CG2-CG2 3.98Å; I102-V122 HydrophobicContact CG2-CG2 4.37Å; I102-L156 HydrophobicContact CG1-CD1 4.29Å
103Q96.8Very high96.7Very high108 Ų10853.7 Ų53.751%0.50527%0.271SS..THydrogen-bonded Turntrans-64.4-14.8-177.978.3-172.81100113.8V99 E101 V105 I108V99-Q103 WeakPolarHBondContact O-CB 3.3Å; V99-Q103 WeakPolarHBondContact O-CG 3.28Å; V99-Q103 PolarHBondContact O-N 2.88Å; E101-Q103 PolarHBondContact O-N 2.88Å; Q103-V105 VanDerWaalsContact C-N 3.29Å; Q103-I108 HydrophobicContact CB-CD1 4.32Å
104K96.7Very high96.8Very high170 Ų17045.8 Ų45.874%0.73924%0.24SC*.THydrogen-bonded Turntrans-73.4-22.8177.9-63.5177.6174.8-179.30112.8S100 E101 I102S100-K104 VanDerWaalsContact O-CE 3.27Å; S100-K104 WeakPolarHBondContact O-CE 3.34Å; E101-K104 PolarHBondContact O-N 2.78Å; I102-K104 PolarHBondContact O-N 3.16Å
105V95.8Very high96.8Very high55 Ų5549.3 Ų49.333%0.33326%0.259SS..THydrogen-bonded Turntrans-130.1-6.3-169.3-62.90000113.3W35 L64 I102 Q103W35-V105 HydrophobicContact CH2-CG2 3.93Å; W35-V105 HydrophobicContact CZ2-CB 4.09Å; W35-V105 HydrophobicContact CZ2-CG2 3.79Å; L64-V105 HydrophobicContact CD1-CB 4.17Å; L64-V105 HydrophobicContact CD1-CG1 3.93Å; L64-V105 HydrophobicContact CD1-CG2 3.89Å; I102-V105 HydrophobicContact CD1-CG2 4.12Å; I102-V105 WeakPolarHBondContact O-CG2 3.22Å; I102-V105 PolarHBondContact O-N 3.34Å; I102-V105 VanDerWaalsContact O-N 3.12Å; Q103-V105 VanDerWaalsContact C-N 3.29Å
106L96.1Very high96.7Very high15 Ų1549.7 Ų49.78%0.07926%0.261CS..SBendtrans-151.4135.5-175.8-168.471.3000111.7W32 P33 W35 L36 I102 I108 L156W32-L106 HydrophobicContact CE3-CD1 3.98Å; W32-L106 HydrophobicContact CZ3-CD1 3.84Å; W32-L106 HydrophobicContact CZ3-CG 4.5Å; P33-L106 HydrophobicContact CG-CD1 3.91Å; W35-L106 HydrophobicContact CH2-CB 4.01Å; W35-L106 HydrophobicContact CH2-CD1 4.24Å; W35-L106 HydrophobicContact CH2-CD2 4.2Å; W35-L106 HydrophobicContact CH2-CG 4.4Å; W35-L106 HydrophobicContact CZ2-CB 4.43Å; W35-L106 HydrophobicContact CZ2-CD1 4.49Å; L36-L106 HydrophobicContact CD1-CD2 3.94Å; L36-L106 HydrophobicContact CD2-CD1 3.95Å; L36-L106 HydrophobicContact CD2-CD2 4.02Å; I102-L106 HydrophobicContact CD1-CB 4.08Å; I102-L106 HydrophobicContact CD1-CD2 4.09Å; I102-L106 HydrophobicContact CG1-CB 4.17Å; I102-L106 HydrophobicContact CG1-CD2 4.17Å; I102-L106 PolarHBondContact O-N 2.9Å; I102-L106 VanDerWaalsContact O-N 3.1Å; L106-I108 PolarHBondContact O-N 2.97Å; L106-L156 HydrophobicContact CD2-CD1 4.46Å; L106-L156 HydrophobicContact CD2-CD2 4.02Å
107D95.6Very high96.5Very high100 Ų10057 Ų5754%0.53530%0.3SS..  trans-68.2119.1166.2169.146.5000111.2A109 K159D107-A109 WeakPolarHBondContact OD1-CB 3.4Å; D107-A109 PolarHBondContact OD1-N 3.22Å; D107-K159 PolarHBondContact O-NZ 3.07Å; D107-K159 IonicContact OD2-NZ 2.77Å; D107-K159 PolarHBondContact OD2-NZ 3.43Å
108I96.6Very high96.3Very high22 Ų2262.9 Ų62.911%0.11334%0.341CS..  trans-104.29.6176.363.4168.7000113.5V99 I102 Q103 L106 V111 T113 V122 L156V99-I108 HydrophobicContact CB-CD1 4.35Å; V99-I108 HydrophobicContact CG1-CD1 3.81Å; V99-I108 HydrophobicContact CG2-CD1 4.03Å; I102-I108 HydrophobicContact CG1-CG2 4.22Å; I102-I108 HydrophobicContact CG2-CG2 3.98Å; Q103-I108 HydrophobicContact CB-CD1 4.32Å; L106-I108 PolarHBondContact O-N 2.97Å; I108-V111 WeakPolarHBondContact O-CB 3.41Å; I108-V111 WeakPolarHBondContact O-CG2 3.44Å; I108-V111 PolarHBondContact O-N 3.02Å; I108-V111 VanDerWaalsContact O-N 3.13Å; I108-T113 HydrophobicContact CD1-CG2 4.45Å; I108-V122 HydrophobicContact CD1-CG2 4.13Å; I108-L156 HydrophobicContact CG2-CD2 4.08Å
109A96Very high96.2Very high60 Ų6058.7 Ų58.750%0.49633%0.33SS..THydrogen-bonded Turntrans-54.7143.3175.500000111.5D107 V111 K159D107-A109 WeakPolarHBondContact OD1-CB 3.4Å; D107-A109 PolarHBondContact OD1-N 3.22Å; A109-V111 PolarHBondContact O-N 3.04Å; A109-K159 VanDerWaalsContact O-CE 3.31Å; A109-K159 WeakPolarHBondContact O-CE 3.35Å; A109-K159 PolarHBondContact O-NZ 3.05Å
110G95.6Very high96.2Very high23 Ų2364.6 Ų64.624%0.23735%0.352CS..THydrogen-bonded Turntrans75.2-8.5-175.300000115.7R152 F153G110-R152 PolarHBondContact O-N 3.18Å; G110-F153 PolarHBondContact O-N 2.83Å
111V97.6Very high96.2Very high1 Ų161.9 Ų61.91%0.00633%0.332CS..BIsolated β-bridgetrans-91.6129.8175.3-165.40000110.7I108 A109 T113 V122 F151 F153 L156 K159I108-V111 WeakPolarHBondContact O-CB 3.41Å; I108-V111 WeakPolarHBondContact O-CG2 3.44Å; I108-V111 PolarHBondContact O-N 3.02Å; I108-V111 VanDerWaalsContact O-N 3.13Å; A109-V111 PolarHBondContact O-N 3.04Å; V111-T113 PolarHBondContact O-N 3.36Å; V111-V122 HydrophobicContact CB-CG1 4.38Å; V111-V122 HydrophobicContact CG1-CG1 3.57Å; V111-F151 VanDerWaalsContact C-CD1 3.43Å; V111-F151 VanDerWaalsContact O-CD1 3.25Å; V111-F151 WeakPolarHBondContact O-CD1 3.1Å; V111-F151 VanDerWaalsContact O-CE1 3.3Å; V111-F151 WeakPolarHBondContact O-CE1 3.18Å; V111-F153 CarbonylContact C-O 3.6Å; V111-F153 WeakPolarHBondContact CA-O 3.29Å; V111-L156 HydrophobicContact CG2-CD2 4.38Å; V111-K159 HydrophobicContact CG2-CB 3.94Å; V111-K159 HydrophobicContact CG2-CD 3.52Å; V111-K159 HydrophobicContact CG2-CG 4.27Å
112Q97Very high96.3Very high10 Ų1060.1 Ų60.15%0.04732%0.324CS..PPolyproline II helixtrans-63.7119.1176.7-169.1179.221.100111.1Y114 L147 F151 F153Q112-Y114 HydrophobicContact CB-CE2 4.34Å; Q112-Y114 HydrophobicContact CG-CE1 4.31Å; Q112-Y114 HydrophobicContact CG-CE2 4.11Å; Q112-Y114 VanDerWaalsContact OE1-CZ 3.27Å; Q112-Y114 PolarHBondContact OE1-OH 3.18Å; Q112-L147 HydrophobicContact CB-CD2 4.23Å; Q112-L147 VanDerWaalsContact OE1-CD2 3.31Å; Q112-F151 VanDerWaalsContact CA-CD1 3.45Å; Q112-F151 HydrophobicContact CB-CB 4.11Å; Q112-F151 HydrophobicContact CB-CD1 4.23Å; Q112-F151 HydrophobicContact CB-CD2 4.25Å; Q112-F151 HydrophobicContact CB-CG 3.93Å; Q112-F151 HydrophobicContact CG-CD2 4.01Å; Q112-F151 HydrophobicContact CG-CE2 4.29Å; Q112-F151 HydrophobicContact CG-CG 4.21Å; Q112-F153 PolarHBondContact N-O 2.86Å
113T97Very high96.3Very high22 Ų2260.6 Ų60.614%0.13533%0.326CS..PPolyproline II helixtrans-96.5139.5172.773.90000110.3V99 I108 V111 R120 V121 V122V99-T113 HydrophobicContact CG2-CG2 3.8Å; I108-T113 HydrophobicContact CD1-CG2 4.45Å; V111-T113 PolarHBondContact O-N 3.36Å; T113-R120 PolarHBondContact OG1-NE 3.44Å; T113-R120 PolarHBondContact OG1-NH2 3.03Å; T113-V121 WeakPolarHBondContact CA-O 3.41Å; T113-V122 HydrophobicContact CG2-CG2 4.13Å
114Y95.6Very high96.3Very high52 Ų5255.6 Ų55.620%0.20430%0.302CS..EExtended strand (participates in β ladder)trans-112.4152.4178.4-58.9-94.9000110.4Q112 R120 V121 F123 R127Q112-Y114 HydrophobicContact CB-CE2 4.34Å; Q112-Y114 HydrophobicContact CG-CE1 4.31Å; Q112-Y114 HydrophobicContact CG-CE2 4.11Å; Q112-Y114 VanDerWaalsContact OE1-CZ 3.27Å; Q112-Y114 PolarHBondContact OE1-OH 3.18Å; Y114-R120 CarbonylContact O-C 3.55Å; Y114-R120 WeakPolarHBondContact O-CA 3.35Å; Y114-V121 PolarHBondContact N-O 2.73Å; Y114-V121 PolarHBondContact O-N 2.86Å; Y114-F123 AromaticContact CD2-CD2 3.58Å; Y114-F123 HydrophobicContact CD2-CD2 3.58Å; Y114-F123 AromaticContact CD2-CE2 3.4Å; Y114-F123 HydrophobicContact CD2-CE2 3.4Å; Y114-F123 AromaticContact CE2-CD2 3.62Å; Y114-F123 HydrophobicContact CE2-CD2 3.62Å; Y114-F123 AromaticContact CE2-CE2 3.68Å; Y114-F123 HydrophobicContact CE2-CE2 3.68Å; Y114-F123 AromaticContact CG-CE2 3.98Å; Y114-F123 HydrophobicContact CG-CE2 3.98Å; Y114-R127 PolarHBondContact OH-NH2 3.46Å; Y114-R127 VanDerWaalsContact OH-NH2 3.11Å
115I96.3Very high96.3Very high134 Ų13450.8 Ų50.869%0.68729%0.285SS*.EExtended strand (participates in β ladder)trans-97117.2170.5-60.4174.2000107.8A119 R120I115-A119 WeakPolarHBondContact CA-O 3.29Å; I115-R120 HydrophobicContact CG1-CG 4.14Å
116I93.8Very high96.3Very high48 Ų4853.3 Ų53.325%0.24629%0.293CS..EExtended strand (participates in β ladder)trans-134.7125.7-179.2-54-171.1000107.7S91 S118 A119 V121 F123S91-I116 VanDerWaalsContact OG-CD1 3.22Å; S91-I116 WeakPolarHBondContact OG-CD1 3.32Å; I116-S118 VanDerWaalsContact C-N 3.28Å; I116-S118 PolarHBondContact O-N 3.41Å; I116-A119 PolarHBondContact N-O 3.45Å; I116-A119 PolarHBondContact O-N 3.24Å; I116-V121 HydrophobicContact CB-CG2 4.11Å; I116-V121 HydrophobicContact CD1-CG2 3.68Å; I116-V121 HydrophobicContact CG1-CG2 3.77Å; I116-F123 HydrophobicContact CD1-CE2 4.34Å; I116-F123 HydrophobicContact CD1-CZ 4.06Å
117N93.5Very high96.1Very high159 Ų15954.6 Ų54.685%0.8530%0.297SS*.THydrogen-bonded Turntrans48.649.4-174.8-59.8-19.5000112.4A119N117-A119 PolarHBondContact O-N 3.35Å
118S94.4Very high95.6Very high125 Ų12555 Ų5587%0.87431%0.305SS*.THydrogen-bonded Turntrans59.610.4-177.6-52.90000116.2I116I116-S118 VanDerWaalsContact C-N 3.28Å; I116-S118 PolarHBondContact O-N 3.41Å
119A96.4Very high94.5Very high21 Ų2157.3 Ų57.317%0.17432%0.316CS..EExtended strand (participates in β ladder)trans-112.9141.5175.900000111.3I115 I116 N117I115-A119 WeakPolarHBondContact CA-O 3.29Å; I116-A119 PolarHBondContact N-O 3.45Å; I116-A119 PolarHBondContact O-N 3.24Å; N117-A119 PolarHBondContact O-N 3.35Å
120R97.6Very high93.3Very high129 Ų12960.8 Ų60.849%0.48733%0.333SS..EExtended strand (participates in β ladder)trans-75.8128.5168.8-70.7-177.767-154.51110V99 T113 Y114 I115V99-R120 HydrophobicContact CB-CB 3.86Å; V99-R120 HydrophobicContact CG2-CB 3.79Å; V99-R120 PolarHBondContact N-O 2.81Å; T113-R120 PolarHBondContact OG1-NE 3.44Å; T113-R120 PolarHBondContact OG1-NH2 3.03Å; Y114-R120 CarbonylContact O-C 3.55Å; Y114-R120 WeakPolarHBondContact O-CA 3.35Å; I115-R120 HydrophobicContact CG1-CG 4.14Å
121V97.9Very high92Very high9 Ų969.6 Ų69.66%0.05536%0.359CS..EExtended strand (participates in β ladder)trans-131.6155.9-179.3-58.90000112.3V96 I97 R98 T113 Y114 I116V96-V121 HydrophobicContact CB-CB 4.22Å; V96-V121 HydrophobicContact CB-CG2 4.47Å; V96-V121 HydrophobicContact CG2-CB 4.39Å; V96-V121 HydrophobicContact CG2-CG1 4.45Å; I97-V121 VanDerWaalsContact O-CA 3.31Å; I97-V121 WeakPolarHBondContact O-CA 3.43Å; R98-V121 HydrophobicContact CG-CG1 4.41Å; T113-V121 WeakPolarHBondContact CA-O 3.41Å; Y114-V121 PolarHBondContact N-O 2.73Å; Y114-V121 PolarHBondContact O-N 2.86Å; I116-V121 HydrophobicContact CB-CG2 4.11Å; I116-V121 HydrophobicContact CD1-CG2 3.68Å; I116-V121 HydrophobicContact CG1-CG2 3.77Å
122V97.8Very high90.6Very high0 Ų075 Ų750%039%0.394CS..EExtended strand (participates in β ladder)trans-120.9140.1171.9-1670000108.3V96 I97 V99 I102 I108 V111 T113 L156V96-V122 CarbonylContact C-O 3.6Å; V96-V122 VanDerWaalsContact CA-O 3.22Å; V96-V122 WeakPolarHBondContact CA-O 3.15Å; V96-V122 WeakPolarHBondContact CB-O 3.42Å; I97-V122 PolarHBondContact N-O 2.72Å; I97-V122 PolarHBondContact O-N 3.31Å; V99-V122 HydrophobicContact CG2-CG2 3.6Å; I102-V122 HydrophobicContact CG2-CG2 4.37Å; I108-V122 HydrophobicContact CD1-CG2 4.13Å; V111-V122 HydrophobicContact CB-CG1 4.38Å; V111-V122 HydrophobicContact CG1-CG1 3.57Å; T113-V122 HydrophobicContact CG2-CG2 4.13Å; V122-L156 HydrophobicContact CG1-CD2 4.03Å; V122-L156 HydrophobicContact CG1-CG 3.95Å
123F97.8Very high89Confident10 Ų1076.2 Ų76.24%0.04441%0.41CS..EExtended strand (participates in β ladder)trans-83.3139.1173.6-71-95.9000110.8H94 V96 Y114 I116 R127 S155 L156H94-F123 HydrophobicContact CB-CD1 3.84Å; H94-F123 HydrophobicContact CB-CE1 3.9Å; V96-F123 HydrophobicContact CG1-CB 4.46Å; V96-F123 HydrophobicContact CG1-CD1 3.34Å; V96-F123 HydrophobicContact CG1-CD2 4.15Å; V96-F123 HydrophobicContact CG1-CE1 3.41Å; V96-F123 VanDerWaalsContact CG1-CE1 3.41Å; V96-F123 HydrophobicContact CG1-CE2 4.22Å; V96-F123 HydrophobicContact CG1-CG 3.73Å; V96-F123 HydrophobicContact CG1-CZ 3.88Å; Y114-F123 AromaticContact CD2-CD2 3.58Å; Y114-F123 HydrophobicContact CD2-CD2 3.58Å; Y114-F123 AromaticContact CD2-CE2 3.4Å; Y114-F123 HydrophobicContact CD2-CE2 3.4Å; Y114-F123 AromaticContact CE2-CD2 3.62Å; Y114-F123 HydrophobicContact CE2-CD2 3.62Å; Y114-F123 AromaticContact CE2-CE2 3.68Å; Y114-F123 HydrophobicContact CE2-CE2 3.68Å; Y114-F123 AromaticContact CG-CE2 3.98Å; Y114-F123 HydrophobicContact CG-CE2 3.98Å; I116-F123 HydrophobicContact CD1-CE2 4.34Å; I116-F123 HydrophobicContact CD1-CZ 4.06Å; F123-R127 HydrophobicContact CD1-CG 4.39Å; F123-S155 VanDerWaalsContact O-CA 3.3Å; F123-S155 WeakPolarHBondContact O-CA 3.22Å; F123-S155 WeakPolarHBondContact O-CB 3.22Å; F123-L156 PolarHBondContact O-N 2.81Å
124L97.7Very high87.6Confident2 Ų285.3 Ų85.31%0.0145%0.447CS..SBendtrans-64.1-61.7176.7-86.768.4000110L39 L40 F44 D95 I97 L156 G157L39-L124 HydrophobicContact CD1-CD2 4.13Å; L39-L124 HydrophobicContact CG-CD2 4.33Å; L40-L124 HydrophobicContact CD2-CB 3.58Å; L40-L124 HydrophobicContact CD2-CD2 4.31Å; L40-L124 HydrophobicContact CD2-CG 3.85Å; L40-L124 WeakPolarHBondContact CD2-O 3.03Å; F44-L124 HydrophobicContact CE2-CD2 4.14Å; D95-L124 HydrophobicContact CB-CD1 4.25Å; D95-L124 HydrophobicContact CB-CD2 4.12Å; D95-L124 PolarHBondContact O-N 3.22Å; D95-L124 VanDerWaalsContact O-N 3.08Å; I97-L124 HydrophobicContact CD1-CD1 3.52Å; I97-L124 HydrophobicContact CD1-CG 4.16Å; I97-L124 HydrophobicContact CG1-CD1 3.73Å; L124-L156 PolarHBondContact O-N 3.37Å; L124-G157 PolarHBondContact O-N 3.06Å
125N97.1Very high86.6Confident70 Ų7086.9 Ų86.937%0.37448%0.479SS..SBendtrans-110.5168.8-174.3-69.3-42.5000112.3L40 S155L40-N125 PolarHBondContact O-ND2 2.81Å; N125-S155 WeakPolarHBondContact O-CB 3.32Å
126E94.5Very high85.7Confident107 Ų10783.3 Ų83.350%0.546%0.463SS..  trans-59.4164.2167.761.4178.3-133.700111.8C143 S155E126-C143 HydrophobicContact CB-CB 4.45Å; E126-C143 VanDerWaalsContact OE2-CB 3.26Å; E126-C143 WeakPolarHBondContact OE2-CB 3.42Å; E126-S155 PolarHBondContact N-OG 3.3Å
127R92.2Very high85.3Confident42 Ų4287.1 Ų87.116%0.15849%0.489CS..  trans-129.3148.6175.7-38.2177.5-75.1-77.89.4107.5H94 Y114 F123 R145H94-R127 HydrophobicContact CB-CG 4.42Å; H94-R127 WeakPolarHBondContact CD2-CD 3.44Å; Y114-R127 PolarHBondContact OH-NH2 3.46Å; Y114-R127 VanDerWaalsContact OH-NH2 3.11Å; F123-R127 HydrophobicContact CD1-CG 4.39Å; R127-R145 VanDerWaalsContact N-NH1 3.18Å; R127-R145 PolarHBondContact O-NH1 3.12Å; R127-R145 VanDerWaalsContact O-NH1 3.16Å; R127-R145 PolarHBondContact O-NH2 3.05Å
128P84.7Confident85.2Confident110 Ų11081.4 Ų81.471%0.71446%0.458SS*.  trans-51.7143.6173.8-26.334.9000112.4R145P128-R145 PolarHBondContact O-NH2 3.47Å
129Q74.9Confident85.2Confident70 Ų7078.2 Ų78.233%0.32743%0.433SS..  trans-109.6120.5166.6-81.3-149-41.100109.5R131 R145Q129-R131 VanDerWaalsContact C-N 3.25Å; Q129-R131 PolarHBondContact O-N 3.03Å; Q129-R145 HydrophobicContact CG-CB 4.25Å
130P69.8Low85.1Confident132 Ų13277.2 Ų77.286%0.85743%0.426SS*.SBendtrans-71.5-18.2-179.327.7-34.3000113.5
131R67.6Low84.9Confident208 Ų20874.2 Ų74.279%0.78542%0.417SS*.SBendtrans-149136.3175.6-54.8-175.6-161.2-1504.7109.9Q129 G133Q129-R131 VanDerWaalsContact C-N 3.25Å; Q129-R131 PolarHBondContact O-N 3.03Å; R131-G133 PolarHBondContact O-N 2.91Å
132P68.5Low84.7Confident115 Ų11575.4 Ų75.475%0.74742%0.424SS*.  trans-59.3127.4162.2-21.433.3000109.8K134P132-K134 PolarHBondContact O-N 2.99Å
133G63.5Low84.5Confident36 Ų3677 Ų7737%0.37144%0.435SS..  trans-70.695.1-176.200000112.6R131 G135 V136R131-G133 PolarHBondContact O-N 2.91Å; G133-G135 PolarHBondContact O-N 3.35Å; G133-V136 PolarHBondContact O-N 3.08Å
134K67.2Low84.2Confident213 Ų21380.7 Ų80.793%0.92645%0.453SS*.THydrogen-bonded Turntrans-60.2126.9168.8-88.9178.7173.51760109.8P132P132-K134 PolarHBondContact O-N 2.99Å
135G75.9Confident83.9Confident84 Ų8481.4 Ų81.487%0.86646%0.455SS*.THydrogen-bonded Turntrans89.94.8178.300000115.6G133G133-G135 PolarHBondContact O-N 3.35Å
136V77.3Confident83.7Confident59 Ų5979.7 Ų79.736%0.35845%0.448SS..  trans-88.8127.1176.2-176.60000110.8G133 N138 T139G133-V136 PolarHBondContact O-N 3.08Å; V136-N138 WeakPolarHBondContact CG1-O 3.35Å; V136-T139 HydrophobicContact CG1-CG2 4.43Å
137T84.9Confident83.6Confident129 Ų12975.3 Ų75.379%0.79143%0.428SS*.SBendtrans-78.2-40.6179.245.90000112.9
138N91.7Very high83.6Confident39 Ų3978.4 Ų78.421%0.20945%0.448CS..  trans-110126.3-176.2-166.324.4000112.4V136 L147 L148 F151V136-N138 WeakPolarHBondContact CG1-O 3.35Å; N138-L147 PolarHBondContact O-N 2.76Å; N138-L148 PolarHBondContact ND2-O 3.03Å; N138-F151 PolarHBondContact ND2-O 2.94Å; N138-F151 PolarHBondContact OD1-O 3.11Å
139T93.8Very high83.8Confident57 Ų5778.4 Ų78.435%0.3544%0.442SS..BIsolated β-bridgetrans-134.7152.1-176.856.80000111.4V136 E141 E144 R145V136-T139 HydrophobicContact CG1-CG2 4.43Å; T139-E141 PolarHBondContact O-N 2.99Å; T139-E144 WeakPolarHBondContact CB-O 3.34Å; T139-E144 WeakPolarHBondContact CG2-O 3.42Å; T139-R145 CarbonylContact C-O 3.52Å; T139-R145 WeakPolarHBondContact CA-O 3.31Å
140C94.9Very high84.5Confident1 Ų181.2 Ų81.21%0.00747%0.468CS..  trans-60.7124.9177.6-176.30000109.9V142 E144 R145 L147 R152 C154C140-V142 PolarHBondContact O-N 3.43Å; C140-E144 VanDerWaalsContact O-CA 3.3Å; C140-E144 WeakPolarHBondContact O-CA 3.3Å; C140-E144 PolarHBondContact O-N 2.88Å; C140-R145 HydrophobicContact CB-CB 3.98Å; C140-R145 WeakPolarHBondContact CB-O 3.22Å; C140-R145 PolarHBondContact N-O 3.49Å; C140-L147 HydrophobicContact CB-CD1 4.3Å; C140-L147 HydrophobicContact CB-CD2 4.23Å; C140-L147 HydrophobicContact CB-CG 4.32Å; C140-R152 WeakPolarHBondContact CA-O 3.27Å; C140-C154 HydrophobicContact CB-CB 4.3Å; C140-C154 PolarHBondContact SG-N 2.92Å; C140-C154 VanDerWaalsContact SG-N 3.37Å
141E93.8Very high85.7Confident65 Ų6577.2 Ų77.230%0.30444%0.437SS..THydrogen-bonded Turntrans-60.9-17.2-174.8-71.1174.3-164.400113.9T139 R152 F153 Y167T139-E141 PolarHBondContact O-N 2.99Å; E141-R152 VanDerWaalsContact CD-NH2 3.28Å; E141-R152 PolarHBondContact N-O 2.88Å; E141-R152 WeakPolarHBondContact OE1-CG 3.26Å; E141-R152 IonicContact OE1-CZ 2.74Å; E141-R152 IonicContact OE1-NE 3.55Å; E141-R152 PolarHBondContact OE1-NE 2.8Å; E141-R152 IonicContact OE1-NH2 3.83Å; E141-R152 PolarHBondContact OE1-NH2 2.92Å; E141-R152 IonicContact OE2-CZ 2.66Å; E141-R152 IonicContact OE2-NE 2.69Å; E141-R152 PolarHBondContact OE2-NE 3.43Å; E141-R152 IonicContact OE2-NH2 2.66Å; E141-R152 PolarHBondContact OE2-NH2 2.96Å; E141-F153 HydrophobicContact CB-CD1 4.4Å; E141-F153 HydrophobicContact CB-CE1 3.89Å; E141-Y167 PolarHBondContact O-OH 2.85Å
142V93.5Very high87.1Confident34 Ų3473.8 Ų73.821%0.20642%0.424CS..THydrogen-bonded Turntrans-102.3-53.2-179.9177.40000113.3C140 F153 C158 V161 Y167C140-V142 PolarHBondContact O-N 3.43Å; V142-F153 HydrophobicContact CG2-CD1 4.46Å; V142-F153 HydrophobicContact CG2-CE1 4.44Å; V142-C158 HydrophobicContact CB-CB 4.05Å; V142-C158 HydrophobicContact CG2-CB 4.24Å; V142-C158 WeakPolarHBondContact CG2-O 3.27Å; V142-V161 HydrophobicContact CG1-CB 4.16Å; V142-V161 HydrophobicContact CG1-CG1 3.72Å; V142-V161 HydrophobicContact CG2-CB 4.14Å; V142-V161 HydrophobicContact CG2-CG1 4.02Å; V142-Y167 HydrophobicContact CG2-CE2 4.27Å
143C92.8Very high88.5Confident35 Ų3568.6 Ų68.624%0.23639%0.389CS..THydrogen-bonded Turntrans-111.111.2-170.967.30000114.1E126 R145 C158E126-C143 HydrophobicContact CB-CB 4.45Å; E126-C143 VanDerWaalsContact OE2-CB 3.26Å; E126-C143 WeakPolarHBondContact OE2-CB 3.42Å; C143-R145 PolarHBondContact O-N 3.32Å; C143-C158 VanDerWaalsContact SG-SG 3.66Å
144E91.6Very high90Very high87 Ų8766.9 Ų66.941%0.40737%0.372SS..  trans588.7178.4-64166.4-156.300114.9T139 C140 S146 K172T139-E144 WeakPolarHBondContact CB-O 3.34Å; T139-E144 WeakPolarHBondContact CG2-O 3.42Å; C140-E144 VanDerWaalsContact O-CA 3.3Å; C140-E144 WeakPolarHBondContact O-CA 3.3Å; C140-E144 PolarHBondContact O-N 2.88Å; E144-S146 PolarHBondContact O-N 2.69Å; E144-K172 VanDerWaalsContact OE1-CD 3.27Å; E144-K172 WeakPolarHBondContact OE1-CD 3.04Å; E144-K172 WeakPolarHBondContact OE1-CE 3.48Å; E144-K172 IonicContact OE1-NZ 2.69Å; E144-K172 PolarHBondContact OE1-NZ 2.97Å; E144-K172 IonicContact OE2-NZ 3.77Å; E144-K172 PolarHBondContact OE2-NZ 3.35Å
145R92Very high91.5Very high17 Ų1756.8 Ų56.86%0.06433%0.328CS..  trans-58.3123.5176.6159.1162.6-75.6149.41.7111.2R127 P128 Q129 T139 C140 C143 L147 C154R127-R145 VanDerWaalsContact N-NH1 3.18Å; R127-R145 PolarHBondContact O-NH1 3.12Å; R127-R145 VanDerWaalsContact O-NH1 3.16Å; R127-R145 PolarHBondContact O-NH2 3.05Å; P128-R145 PolarHBondContact O-NH2 3.47Å; Q129-R145 HydrophobicContact CG-CB 4.25Å; T139-R145 CarbonylContact C-O 3.52Å; T139-R145 WeakPolarHBondContact CA-O 3.31Å; C140-R145 HydrophobicContact CB-CB 3.98Å; C140-R145 WeakPolarHBondContact CB-O 3.22Å; C140-R145 PolarHBondContact N-O 3.49Å; C143-R145 PolarHBondContact O-N 3.32Å; R145-L147 HydrophobicContact CG-CD2 4.28Å; R145-L147 WeakPolarHBondContact O-CG 3.5Å; R145-L147 PolarHBondContact O-N 3.08Å; R145-C154 HydrophobicContact CB-CB 4.28Å; R145-C154 VanDerWaalsContact CD-CB 3.42Å; R145-C154 HydrophobicContact CG-CB 3.89Å
146S92.2Very high92.5Very high33 Ų3353 Ų5323%0.23129%0.287CS..BIsolated β-bridgetrans-42.3122164.8-500000112.4E144E144-S146 PolarHBondContact O-N 2.69Å
147L93.2Very high93.4Very high16 Ų1650.7 Ų50.78%0.08428%0.276CS..  trans-111.5166.1177-59-176.4000110.4Q112 N138 C140 R145 F151 R152 C154Q112-L147 HydrophobicContact CB-CD2 4.23Å; Q112-L147 VanDerWaalsContact OE1-CD2 3.31Å; N138-L147 PolarHBondContact O-N 2.76Å; C140-L147 HydrophobicContact CB-CD1 4.3Å; C140-L147 HydrophobicContact CB-CD2 4.23Å; C140-L147 HydrophobicContact CB-CG 4.32Å; R145-L147 HydrophobicContact CG-CD2 4.28Å; R145-L147 WeakPolarHBondContact O-CG 3.5Å; R145-L147 PolarHBondContact O-N 3.08Å; L147-F151 HydrophobicContact CB-CB 4.39Å; L147-F151 HydrophobicContact CD1-CB 3.98Å; L147-F151 WeakPolarHBondContact CD1-O 3.36Å; L147-R152 VanDerWaalsContact CD1-C 3.46Å; L147-C154 HydrophobicContact CD2-CB 3.7Å
148L92.2Very high94Very high107 Ų10744.6 Ų44.656%0.5624%0.239SC*.  trans-69.2159.8155.4-73168.2000109.3N138 F151N138-L148 PolarHBondContact ND2-O 3.03Å; L148-F151 HydrophobicContact CB-CD2 3.84Å; L148-F151 HydrophobicContact CB-CE2 4.01Å; L148-F151 HydrophobicContact CD1-CE2 4.48Å
149D88.2Confident94.2Very high110 Ų11043.5 Ų43.559%0.58823%0.232SC*.THydrogen-bonded Turntrans-57.3158.8172-58.5-56.4000111.8F151D149-F151 VanDerWaalsContact O-CD2 3.24Å; D149-F151 WeakPolarHBondContact O-CD2 3.46Å; D149-F151 PolarHBondContact O-N 3.23Å
150C90.9Very high94.2Very high129 Ų12941.2 Ų41.287%0.87222%0.218SC*.THydrogen-bonded Turntrans67.2-0.3-176.9-53.20000117.1
151F95.2Very high94.2Very high47 Ų4744.7 Ų44.721%0.20624%0.238CC..  trans-105.4152.4173.9-60-74.6000112.6V111 Q112 N138 L147 L148 D149V111-F151 VanDerWaalsContact C-CD1 3.43Å; V111-F151 VanDerWaalsContact O-CD1 3.25Å; V111-F151 WeakPolarHBondContact O-CD1 3.1Å; V111-F151 VanDerWaalsContact O-CE1 3.3Å; V111-F151 WeakPolarHBondContact O-CE1 3.18Å; Q112-F151 VanDerWaalsContact CA-CD1 3.45Å; Q112-F151 HydrophobicContact CB-CB 4.11Å; Q112-F151 HydrophobicContact CB-CD1 4.23Å; Q112-F151 HydrophobicContact CB-CD2 4.25Å; Q112-F151 HydrophobicContact CB-CG 3.93Å; Q112-F151 HydrophobicContact CG-CD2 4.01Å; Q112-F151 HydrophobicContact CG-CE2 4.29Å; Q112-F151 HydrophobicContact CG-CG 4.21Å; N138-F151 PolarHBondContact ND2-O 2.94Å; N138-F151 PolarHBondContact OD1-O 3.11Å; L147-F151 HydrophobicContact CB-CB 4.39Å; L147-F151 HydrophobicContact CD1-CB 3.98Å; L147-F151 WeakPolarHBondContact CD1-O 3.36Å; L148-F151 HydrophobicContact CB-CD2 3.84Å; L148-F151 HydrophobicContact CB-CE2 4.01Å; L148-F151 HydrophobicContact CD1-CE2 4.48Å; D149-F151 VanDerWaalsContact O-CD2 3.24Å; D149-F151 WeakPolarHBondContact O-CD2 3.46Å; D149-F151 PolarHBondContact O-N 3.23Å
152R95.5Very high94.1Very high137 Ų13742.2 Ų42.252%0.51723%0.23SC..SBendtrans-114.8-26.2-179.8-64.918062.9152.22.9113.1G110 C140 E141 L147G110-R152 PolarHBondContact O-N 3.18Å; C140-R152 WeakPolarHBondContact CA-O 3.27Å; E141-R152 VanDerWaalsContact CD-NH2 3.28Å; E141-R152 PolarHBondContact N-O 2.88Å; E141-R152 WeakPolarHBondContact OE1-CG 3.26Å; E141-R152 IonicContact OE1-CZ 2.74Å; E141-R152 IonicContact OE1-NE 3.55Å; E141-R152 PolarHBondContact OE1-NE 2.8Å; E141-R152 IonicContact OE1-NH2 3.83Å; E141-R152 PolarHBondContact OE1-NH2 2.92Å; E141-R152 IonicContact OE2-CZ 2.66Å; E141-R152 IonicContact OE2-NE 2.69Å; E141-R152 PolarHBondContact OE2-NE 3.43Å; E141-R152 IonicContact OE2-NH2 2.66Å; E141-R152 PolarHBondContact OE2-NH2 2.96Å; L147-R152 VanDerWaalsContact CD1-C 3.46Å
153F97.4Very high94Very high6 Ų642.8 Ų42.83%0.02623%0.234CC..BIsolated β-bridgetrans-133.1144-174.9-52.1-68.2000111.9G110 V111 Q112 E141 V142 C158 K159 T163G110-F153 PolarHBondContact O-N 2.83Å; V111-F153 CarbonylContact C-O 3.6Å; V111-F153 WeakPolarHBondContact CA-O 3.29Å; Q112-F153 PolarHBondContact N-O 2.86Å; E141-F153 HydrophobicContact CB-CD1 4.4Å; E141-F153 HydrophobicContact CB-CE1 3.89Å; V142-F153 HydrophobicContact CG2-CD1 4.46Å; V142-F153 HydrophobicContact CG2-CE1 4.44Å; F153-C158 HydrophobicContact CB-CB 4.05Å; F153-C158 HydrophobicContact CD1-CB 4.2Å; F153-C158 VanDerWaalsContact CD1-O 3.29Å; F153-C158 WeakPolarHBondContact CD1-O 3.36Å; F153-K159 HydrophobicContact CB-CB 4.13Å; F153-K159 HydrophobicContact CD2-CB 3.66Å; F153-K159 HydrophobicContact CD2-CD 4.35Å; F153-K159 HydrophobicContact CD2-CG 3.68Å; F153-K159 HydrophobicContact CE2-CB 4.23Å; F153-K159 HydrophobicContact CE2-CG 3.87Å; F153-K159 HydrophobicContact CG-CB 3.86Å; F153-K159 HydrophobicContact CG-CG 4.39Å; F153-T163 HydrophobicContact CE2-CG2 4.22Å; F153-T163 HydrophobicContact CZ-CG2 4.01Å
154C96.3Very high93.8Very high0 Ų042 Ų420%023%0.231CC..SBendtrans-86.9-12178.978.40000115C140 R145 L147 C158C140-C154 HydrophobicContact CB-CB 4.3Å; C140-C154 PolarHBondContact SG-N 2.92Å; C140-C154 VanDerWaalsContact SG-N 3.37Å; R145-C154 HydrophobicContact CB-CB 4.28Å; R145-C154 VanDerWaalsContact CD-CB 3.42Å; R145-C154 HydrophobicContact CG-CB 3.89Å; L147-C154 HydrophobicContact CD2-CB 3.7Å; C154-C158 VanDerWaalsContact SG-SG 3.66Å
155S97.4Very high93Very high0 Ų046.2 Ų46.20%024%0.243CC..SBendtrans-159.7166.9-171.563.50000110.8F123 N125 E126 C158 K159F123-S155 VanDerWaalsContact O-CA 3.3Å; F123-S155 WeakPolarHBondContact O-CA 3.22Å; F123-S155 WeakPolarHBondContact O-CB 3.22Å; N125-S155 WeakPolarHBondContact O-CB 3.32Å; E126-S155 PolarHBondContact N-OG 3.3Å; S155-C158 PolarHBondContact O-N 2.84Å; S155-C158 PolarHBondContact OG-N 3.27Å; S155-C158 PolarHBondContact OG-SG 3.27Å; S155-K159 PolarHBondContact O-N 3.31Å
156L97.6Very high92.2Very high4 Ų448.8 Ų48.82%0.02127%0.274CS..Hα-helixtrans-63.4-42.7175.4-64176.5000111.6L40 I102 L106 I108 V111 V122 F123 L124 C158 K159 I160L40-L156 HydrophobicContact CD2-CB 4.22Å; I102-L156 HydrophobicContact CG1-CD1 4.29Å; L106-L156 HydrophobicContact CD2-CD1 4.46Å; L106-L156 HydrophobicContact CD2-CD2 4.02Å; I108-L156 HydrophobicContact CG2-CD2 4.08Å; V111-L156 HydrophobicContact CG2-CD2 4.38Å; V122-L156 HydrophobicContact CG1-CD2 4.03Å; V122-L156 HydrophobicContact CG1-CG 3.95Å; F123-L156 PolarHBondContact O-N 2.81Å; L124-L156 PolarHBondContact O-N 3.37Å; L156-C158 PolarHBondContact O-N 2.94Å; L156-K159 WeakPolarHBondContact O-CB 3.31Å; L156-K159 PolarHBondContact O-N 3.43Å; L156-I160 WeakPolarHBondContact O-CG1 3.35Å; L156-I160 PolarHBondContact O-N 3.4Å
157G96.9Very high91.3Very high11 Ų1150.4 Ų50.411%0.11328%0.276CS..Hα-helixtrans-58.5-43.1176.300000112.8L40 L124 K159 I160 V161L40-G157 VanDerWaalsContact CD1-CA 3.43Å; L124-G157 PolarHBondContact O-N 3.06Å; G157-K159 VanDerWaalsContact C-N 3.33Å; G157-K159 PolarHBondContact O-N 3.2Å; G157-I160 PolarHBondContact O-N 2.84Å; G157-V161 WeakPolarHBondContact O-CG2 3.36Å; G157-V161 PolarHBondContact O-N 2.92Å
158C96.8Very high90.3Very high2 Ų260.1 Ų60.11%0.01431%0.311CS..Hα-helixtrans-63.6-36.5172.8-64.30000112.5V142 C143 F153 C154 S155 L156 G162V142-C158 HydrophobicContact CB-CB 4.05Å; V142-C158 HydrophobicContact CG2-CB 4.24Å; V142-C158 WeakPolarHBondContact CG2-O 3.27Å; C143-C158 VanDerWaalsContact SG-SG 3.66Å; F153-C158 HydrophobicContact CB-CB 4.05Å; F153-C158 HydrophobicContact CD1-CB 4.2Å; F153-C158 VanDerWaalsContact CD1-O 3.29Å; F153-C158 WeakPolarHBondContact CD1-O 3.36Å; C154-C158 VanDerWaalsContact SG-SG 3.66Å; S155-C158 PolarHBondContact O-N 2.84Å; S155-C158 PolarHBondContact OG-N 3.27Å; S155-C158 PolarHBondContact OG-SG 3.27Å; L156-C158 PolarHBondContact O-N 2.94Å; C158-G162 PolarHBondContact O-N 2.93Å
159K96.2Very high89.3Confident16 Ų1659 Ų597%0.0731%0.31CS..Hα-helixtrans-64.3-41.8175.9-174.9173.9179.6-178.20111.6W32 D107 A109 V111 F153 S155 L156 G157 T163W32-K159 HydrophobicContact CH2-CD 3.83Å; W32-K159 HydrophobicContact CH2-CG 3.81Å; W32-K159 HydrophobicContact CZ2-CG 4.03Å; D107-K159 PolarHBondContact O-NZ 3.07Å; D107-K159 IonicContact OD2-NZ 2.77Å; D107-K159 PolarHBondContact OD2-NZ 3.43Å; A109-K159 VanDerWaalsContact O-CE 3.31Å; A109-K159 WeakPolarHBondContact O-CE 3.35Å; A109-K159 PolarHBondContact O-NZ 3.05Å; V111-K159 HydrophobicContact CG2-CB 3.94Å; V111-K159 HydrophobicContact CG2-CD 3.52Å; V111-K159 HydrophobicContact CG2-CG 4.27Å; F153-K159 HydrophobicContact CB-CB 4.13Å; F153-K159 HydrophobicContact CD2-CB 3.66Å; F153-K159 HydrophobicContact CD2-CD 4.35Å; F153-K159 HydrophobicContact CD2-CG 3.68Å; F153-K159 HydrophobicContact CE2-CB 4.23Å; F153-K159 HydrophobicContact CE2-CG 3.87Å; F153-K159 HydrophobicContact CG-CB 3.86Å; F153-K159 HydrophobicContact CG-CG 4.39Å; S155-K159 PolarHBondContact O-N 3.31Å; L156-K159 WeakPolarHBondContact O-CB 3.31Å; L156-K159 PolarHBondContact O-N 3.43Å; G157-K159 VanDerWaalsContact C-N 3.33Å; G157-K159 PolarHBondContact O-N 3.2Å; K159-T163 HydrophobicContact CG-CG2 4.46Å; K159-T163 WeakPolarHBondContact O-CB 3.44Å; K159-T163 VanDerWaalsContact O-CG2 3.27Å; K159-T163 WeakPolarHBondContact O-CG2 3.3Å; K159-T163 PolarHBondContact O-N 3.31Å; K159-T163 PolarHBondContact O-OG1 2.88Å
160I94.6Very high88.2Confident9 Ų956.4 Ų56.45%0.04631%0.31CS..Hα-helixtrans-64-53.4177.7-62169.7000110.3W32 L36 L40 L156 G157 G162 T163 A164W32-I160 HydrophobicContact CD2-CG1 4.09Å; W32-I160 HydrophobicContact CG-CG1 4.44Å; W32-I160 HydrophobicContact CZ2-CG1 4.14Å; L36-I160 HydrophobicContact CD1-CD1 4.26Å; L36-I160 HydrophobicContact CD2-CD1 3.45Å; L36-I160 VanDerWaalsContact CD2-CD1 3.45Å; L36-I160 HydrophobicContact CD2-CG1 3.84Å; L36-I160 HydrophobicContact CG-CD1 3.5Å; L36-I160 VanDerWaalsContact CG-CD1 3.5Å; L36-I160 HydrophobicContact CG-CG1 4.43Å; L40-I160 HydrophobicContact CD1-CD1 3.41Å; L40-I160 VanDerWaalsContact CD1-CD1 3.41Å; L40-I160 HydrophobicContact CG-CD1 4.47Å; L156-I160 WeakPolarHBondContact O-CG1 3.35Å; L156-I160 PolarHBondContact O-N 3.4Å; G157-I160 PolarHBondContact O-N 2.84Å; I160-G162 PolarHBondContact O-N 3.01Å; I160-T163 PolarHBondContact O-N 2.86Å; I160-T163 PolarHBondContact O-OG1 2.81Å; I160-A164 PolarHBondContact O-N 3.05Å
161V93.4Very high86.7Confident73 Ų7360.1 Ų60.144%0.44231%0.311SS..Hα-helixtrans-59.5-45.6-179172.60000111.1V142 G157 T163 A164 Y167V142-V161 HydrophobicContact CG1-CB 4.16Å; V142-V161 HydrophobicContact CG1-CG1 3.72Å; V142-V161 HydrophobicContact CG2-CB 4.14Å; V142-V161 HydrophobicContact CG2-CG1 4.02Å; G157-V161 WeakPolarHBondContact O-CG2 3.36Å; G157-V161 PolarHBondContact O-N 2.92Å; V161-T163 VanDerWaalsContact C-N 3.25Å; V161-T163 PolarHBondContact O-N 3.26Å; V161-A164 PolarHBondContact O-N 3.47Å; V161-Y167 HydrophobicContact CG1-CD2 4.03Å; V161-Y167 HydrophobicContact CG1-CE2 3.97Å; V161-Y167 WeakPolarHBondContact O-CB 2.99Å; V161-Y167 VanDerWaalsContact O-CD2 3.25Å; V161-Y167 WeakPolarHBondContact O-CD2 3.11Å
162G93.1Very high84.8Confident13 Ų1364.6 Ų64.613%0.13433%0.33CS..Hα-helixtrans-72.8-10.9-177.900000115.5C158 I160C158-G162 PolarHBondContact O-N 2.93Å; I160-G162 PolarHBondContact O-N 3.01Å
163T91.7Very high82.3Confident46 Ų4667.8 Ų67.828%0.28235%0.348SS..Hα-helixtrans-116.9-1.517861.80000113.7R31 W32 F153 K159 I160 V161R31-T163 PolarHBondContact NH1-O 2.69Å; W32-T163 VanDerWaalsContact CZ2-OG1 3.29Å; W32-T163 WeakPolarHBondContact CZ2-OG1 3.34Å; F153-T163 HydrophobicContact CE2-CG2 4.22Å; F153-T163 HydrophobicContact CZ-CG2 4.01Å; K159-T163 HydrophobicContact CG-CG2 4.46Å; K159-T163 WeakPolarHBondContact O-CB 3.44Å; K159-T163 VanDerWaalsContact O-CG2 3.27Å; K159-T163 WeakPolarHBondContact O-CG2 3.3Å; K159-T163 PolarHBondContact O-N 3.31Å; K159-T163 PolarHBondContact O-OG1 2.88Å; I160-T163 PolarHBondContact O-N 2.86Å; I160-T163 PolarHBondContact O-OG1 2.81Å; V161-T163 VanDerWaalsContact C-N 3.25Å; V161-T163 PolarHBondContact O-N 3.26Å
164A87.6Confident80Confident20 Ų2076 Ų7617%0.16539%0.386CS..SBendtrans-57.7148.9171.500000110.9I160 V161 G166 Y167I160-A164 PolarHBondContact O-N 3.05Å; V161-A164 PolarHBondContact O-N 3.47Å; A164-G166 PolarHBondContact O-N 3.34Å; A164-Y167 PolarHBondContact O-N 2.86Å
165R74.5Confident77.3Confident175 Ų17579.6 Ų79.666%0.6642%0.424SS*.THydrogen-bonded Turntrans-66.1127.5177.5-77.6-175.1174.9-90.75.5109.3D28D28-R165 PolarHBondContact OD1-N 3.37Å
166G74.7Confident74.5Confident70 Ų7083 Ų8372%0.72246%0.459SS*.THydrogen-bonded Turntrans88.82-178.600000115.1A164 R168A164-G166 PolarHBondContact O-N 3.34Å; G166-R168 PolarHBondContact O-N 3.18Å
167Y73.7Confident71.6Confident67 Ų6786.3 Ų86.326%0.26349%0.493SS..  trans-57.7108.3169.2-173-101.8000110.3E141 V142 V161 A164 P169E141-Y167 PolarHBondContact O-OH 2.85Å; V142-Y167 HydrophobicContact CG2-CE2 4.27Å; V161-Y167 HydrophobicContact CG1-CD2 4.03Å; V161-Y167 HydrophobicContact CG1-CE2 3.97Å; V161-Y167 WeakPolarHBondContact O-CB 2.99Å; V161-Y167 VanDerWaalsContact O-CD2 3.25Å; V161-Y167 WeakPolarHBondContact O-CD2 3.11Å; A164-Y167 PolarHBondContact O-N 2.86Å; Y167-P169 HydrophobicContact CD1-CG 4.33Å; Y167-P169 HydrophobicContact CE1-CB 4.22Å; Y167-P169 HydrophobicContact CE1-CG 3.88Å
168R73.2Confident68.8Low220 Ų22089.6 Ų89.683%0.8353%0.528SS*.  trans-102.4116168.3-69-175.3178.3-169.70106.2G166 G170G166-R168 PolarHBondContact O-N 3.18Å; R168-G170 PolarHBondContact O-N 3.39Å; R168-G170 VanDerWaalsContact O-N 3.13Å
169P70.5Confident66.3Low83 Ų8392.7 Ų92.754%0.53956%0.56SS.*  trans-49.7125.8170.6-24.732.3000108.5Y167 K171Y167-P169 HydrophobicContact CD1-CG 4.33Å; Y167-P169 HydrophobicContact CE1-CB 4.22Å; Y167-P169 HydrophobicContact CE1-CG 3.88Å; P169-K171 PolarHBondContact O-N 3.48Å
170G65.8Low64.1Low56 Ų5698.2 Ų98.258%0.57759%0.59SS**  trans-60.6101.4-178.900000108.6R168 K172R168-G170 PolarHBondContact O-N 3.39Å; R168-G170 VanDerWaalsContact O-N 3.13Å; G170-K172 PolarHBondContact O-N 2.75Å
171K58.1Low62.2Low207 Ų207106.8 Ų106.890%0.963%0.627SS**  trans-66.876.2169.9-78.5-169.5176.7-176.80108.1P169 K173P169-K171 PolarHBondContact O-N 3.48Å; K171-K173 PolarHBondContact O-N 3.38Å; K171-K173 VanDerWaalsContact O-N 3.09Å
172K56.3Low60.2Low141 Ų141112.1 Ų112.161%0.61364%0.644SS**  trans-50.3120.7156.5-72.7-177.4-177.3165.90104.9E144 G170 H174E144-K172 VanDerWaalsContact OE1-CD 3.27Å; E144-K172 WeakPolarHBondContact OE1-CD 3.04Å; E144-K172 WeakPolarHBondContact OE1-CE 3.48Å; E144-K172 IonicContact OE1-NZ 2.69Å; E144-K172 PolarHBondContact OE1-NZ 2.97Å; E144-K172 IonicContact OE2-NZ 3.77Å; E144-K172 PolarHBondContact OE2-NZ 3.35Å; G170-K172 PolarHBondContact O-N 2.75Å; K172-H174 PolarHBondContact O-N 3.16Å
173K43.2Very low58.3Low204 Ų204122.3 Ų122.389%0.88768%0.679SS**  trans-51.4111.2173.6-69.7178.9177.3178.40105.9K171 G175K171-K173 PolarHBondContact O-N 3.38Å; K171-K173 VanDerWaalsContact O-N 3.09Å; K173-G175 PolarHBondContact O-N 3.16Å; K173-G175 VanDerWaalsContact O-N 3.17Å
174H48.1Very low56Low178 Ų178124.9 Ų124.982%0.82471%0.705SS**  trans-49.4128.8152.2-71.6-33.1000104.9K172 G176K172-H174 PolarHBondContact O-N 3.16Å; H174-G176 PolarHBondContact O-N 3.03Å
175G39.5Very low54.4Low77 Ų77129 Ų12979%0.79473%0.732SS**  trans-5992.8169.700000106.5K173 G177K173-G175 PolarHBondContact O-N 3.16Å; K173-G175 VanDerWaalsContact O-N 3.17Å; G175-G177 PolarHBondContact O-N 3.21Å
176G38.7Very low53.1Low71 Ų71126.8 Ų126.873%0.73274%0.74SS**  trans-53.8126.8-179.100000106.5H174 G178H174-G176 PolarHBondContact O-N 3.03Å; G176-G178 PolarHBondContact O-N 2.82Å
177G37.8Very low51.8Low73 Ų73127.8 Ų127.875%0.75374%0.742SS**  trans-47.9132.9-16000000111.9G175 G179G175-G177 PolarHBondContact O-N 3.21Å; G177-G179 PolarHBondContact O-N 2.76Å
178G38Very low50.5Low81 Ų81130.4 Ų130.484%0.83577%0.767SS**  trans-62.677.4162.200000108.7G176 N180G176-G178 PolarHBondContact O-N 2.82Å; G178-N180 PolarHBondContact O-N 3.32Å
179G43.2Very low49.2Very low67 Ų67123.6 Ų123.669%0.69176%0.758SS**  trans-70.171.817600000108.7G177 K181G177-G179 PolarHBondContact O-N 2.76Å; G179-K181 VanDerWaalsContact C-N 3.29Å; G179-K181 PolarHBondContact O-N 2.84Å
180N49.7Very low48.5Very low131 Ų131127.2 Ų127.270%0.70177%0.772SS**  trans-69.990.9-178.1-157.88.3000107.6G178 K182G178-N180 PolarHBondContact O-N 3.32Å; N180-K182 PolarHBondContact O-N 3.07Å
181K55.2Low47.7Very low190 Ų190133 Ų13383%0.82678%0.782SS**  trans-66.372.5175.5-76.9176.8175170.50109.5G179 R183G179-K181 VanDerWaalsContact C-N 3.29Å; G179-K181 PolarHBondContact O-N 2.84Å; K181-R183 PolarHBondContact O-N 3.02Å
182K51.8Low47.1Very low185 Ų185130 Ų13080%0.80478%0.775SS**  trans-67.781.8162-74.7-166.6173.5-171.60108.2N180 A184N180-K182 PolarHBondContact O-N 3.07Å; K182-A184 PolarHBondContact O-N 2.93Å
183R53.2Low47.1Very low226 Ų226129 Ų12985%0.85378%0.781SS**  trans-63.8126.7162.8-81.8-176.9160.4-119.5-2.6107.6K181K181-R183 PolarHBondContact O-N 3.02Å
184A44Very low47.4Very low100 Ų100130.4 Ų130.483%0.82678%0.78SS**  trans-66.1141.9171.100000110.4K182K182-A184 PolarHBondContact O-N 2.93Å
185S54.4Low48.1Very low106 Ų106125.8 Ų125.874%0.74177%0.768SS**  trans-151.5125.2165.8-61.90000106.7
186P46.9Very low48.8Very low129 Ų129128.8 Ų128.884%0.83877%0.766SS**  trans-79.3152.4-175.431.6-33.6000111.8
187A45.8Very low49.9Very low92 Ų92130.3 Ų130.376%0.7677%0.765SS**  trans-71162.8169.200000110.6
188P46.4Very low51.2Low122 Ų122134.5 Ų134.579%0.79277%0.765SS**  -150.1164.178.239.7-21.4000118
189A46.2Very low51.8Low77 Ų77138.1 Ų138.164%0.63677%0.765SS**  trans67.7115.6140.300000122.9
190L55.8Low52.2Low158 Ų158140.2 Ų140.283%0.82777%0.77SS**  trans69.3144.3139.6-57.6167.5000116.2
191K49.7Very low52.2Low179 Ų179140.1 Ų140.178%0.77878%0.778SS**  cis-166.5144.118.525.3-174.5168.2-176.30109.9
192D45.6Very low51.7Low144 Ų144137.1 Ų137.177%0.7778%0.776SS**  trans17.9135.9156.1-49.9-77.8000122.9
193V55.7Low51.1Low120 Ų120133.2 Ų133.273%0.72777%0.772SS**  162.1119.9108.6158.70000111.5
194R50.2Low50.8Low233 Ų233129.6 Ų129.688%0.87978%0.775SS**  trans48.7156.8147.2-68.8178.4172.7141.9-3.1119.4
195S62.3Low50.7Low80 Ų80130.5 Ų130.556%0.55978%0.775SS**  cis-173.5161.6-6.7-930000105.9
196D53.9Low50.3Low140 Ų140129.4 Ų129.475%0.74978%0.781SS**  cis-163.9-150.1-17.6-84.8-27000106.7
197S62.6Low50.1Low104 Ų104128.2 Ų128.273%0.72778%0.781SS**  trans8598.8172.9-64.20000120
198E63.9Low50.5Low160 Ų160129 Ų12975%0.74878%0.782SS**  9.9145.8129.728.8-90.157.700119.6
199D52.4Low50.6Low157 Ų157128 Ų12884%0.8478%0.777SS**  cis-149.5166.838.5-125.6-46.1000115.3
200S50.7Low51Low112 Ų112131.8 Ų131.878%0.78379%0.787SS**  trans-117.3152.1-172.6-70.10000115
201C50.3Low50.8Low129 Ų129133.6 Ų133.687%0.87279%0.788SS**  trans-153.5126.8137.161.40000114.5
202T43.4Very low51.2Low127 Ų127130.4 Ų130.478%0.77979%0.788SS**  trans-62.2134.7176.641.10000114.4
203S38.9Very low51.2Low103 Ų103129 Ų12972%0.7279%0.79SS**  80.2125.987.8-50.30000116.7
204T47.7Very low51.1Low149 Ų149129.2 Ų129.291%0.91479%0.791SS**  trans-160.5149.11324.20000112.4
205S41.2Very low51.1Low120 Ų120124.1 Ų124.184%0.83979%0.785SS**  trans-86.6151.4-171.949.20000114
206G46Very low50.6Low83 Ų83129 Ų12986%0.85680%0.799SS**  trans-15867.7174.100000113.2
207A42.5Very low50.5Low103 Ų103127.8 Ų127.885%0.85180%0.802SS**  trans-86.7128.417300000110.8
208S55.5Low50.2Low110 Ų110128.3 Ų128.377%0.76981%0.805SS**  trans-145.3142.9151.4-165.40000110.1
209S48.8Very low49.9Very low100 Ų100126.3 Ų126.370%0.69981%0.807SS**  trans-127.396.2-170.9-67.90000110.4
210D54Low50.2Low157 Ų157124.3 Ų124.384%0.8480%0.802SS**  trans-100.8117.7173.2-87.1-63.5000112.3
211K50.7Low50.3Low196 Ų196124.6 Ų124.685%0.85280%0.801SS**  trans-117.4105.9-170.144.9-175.8167.7-172.80109.2
212S58.6Low50.6Low111 Ų111124.6 Ų124.678%0.77680%0.8SS**  trans-132.282.9174.945.10000110.6V214S212-V214 PolarHBondContact O-N 3.13Å
213S46.5Very low50.9Low115 Ų115125.1 Ų125.180%0.80480%0.803SS**  trans-81.595.4169.854.80000110.2
214V52.5Low51.2Low124 Ų124126.2 Ų126.275%0.75281%0.81SS**  trans-87.3107.6168.3176.30000108.9S212 Q216S212-V214 PolarHBondContact O-N 3.13Å; V214-Q216 HydrophobicContact CG1-CG 4.39Å
215V50.9Low51.5Low126 Ų126124 Ų12476%0.76481%0.808SS**  trans-82.2125.9168.6-72.80000109.5
216Q51Low51.7Low183 Ų183122.9 Ų122.986%0.85580%0.8SS**  trans-109.995.2171.1-82.5-170.7-27.900110.1V214V214-Q216 HydrophobicContact CG1-CG 4.39Å
217S52.5Low51.7Low115 Ų115127.5 Ų127.580%0.80480%0.799SS**PPolyproline II helixtrans-83.3128.4169.3-57.30000110
218S56.1Low52.2Low114 Ų114133.8 Ų133.880%0.79780%0.8SS**PPolyproline II helixtrans-94.3135.5171.3-60.70000110.2
219P58Low52Low119 Ų119134.3 Ų134.377%0.77380%0.801SS**PPolyproline II helixtrans-82.3150.9179.432.7-34.2000112.7
220P58Low51.9Low115 Ų115135.3 Ų135.375%0.74781%0.805SS**PPolyproline II helixtrans-79.9164.3176.834-35.9000113
221P52.7Low51.6Low117 Ų117131.2 Ų131.276%0.7680%0.8SS**PPolyproline II helixtrans-83.4145.8179.534.2-34.5000112.5
222P57.5Low51.7Low130 Ų130129.9 Ų129.984%0.84480%0.802SS**PPolyproline II helixtrans-86.8135174.433.1-32.3000112.2
223T49.8Very low51.3Low138 Ų138134.6 Ų134.685%0.84781%0.809SS**PPolyproline II helixtrans-95.9146.4172.247.20000112.6
224S45.7Very low51.7Low125 Ų125141.2 Ų141.287%0.87482%0.816SS**  trans-32128.1178.2-45.80000119
225A52.7Low52Low104 Ų104145.2 Ų145.286%0.8682%0.817SS**  trans-163.5157.6136.500000109.8
226S45Very low52.3Low96 Ų96149 Ų14967%0.67182%0.824SS**  trans-93.7-168.8-170.3-163.40000113.4
227H47.4Very low52.7Low180 Ų180143.1 Ų143.183%0.83381%0.812SS**  trans86.4112.8168.4-35.6-62.3000117
228R51.9Low53.2Low234 Ų234144.1 Ų144.188%0.88381%0.807SS**  trans-88.2156172.6-96.8-176.8173-169.61.5110.9
229P51.4Low53.7Low122 Ų122144.4 Ų144.479%0.79281%0.806SS**  -130.6170.796.17.614.8000114.1
230P46.7Very low54Low121 Ų121146.9 Ų146.979%0.78681%0.807SS**  trans-94.5136.2-170.235.4-32.1000114
231G47.6Very low54.6Low70 Ų70150.9 Ų150.972%0.72281%0.808SS**  trans-153.2139.8174.800000114
232N53.4Low55.1Low168 Ų168150.1 Ų150.190%0.89881%0.805SS**  trans61.372.4168.3-65.8-0.6000118.7R234N232-R234 PolarHBondContact O-N 3.31Å
233K49.4Very low55.6Low211 Ų211149.5 Ų149.592%0.91780%0.801SS**  trans-66.5109.3157.3-65.4169.7-179.9171.30110.6
234R56Low56.3Low253 Ų253149.7 Ų149.796%0.95580%0.796SS**  trans-93.6103161.6-149.9170.1-179-127.5-0.2108.8N232N232-R234 PolarHBondContact O-N 3.31Å
235R57.9Low56.8Low208 Ų208147.7 Ų147.779%0.78580%0.795SS**PPolyproline II helixtrans-66.8125.7-165.9174.3-176.1-82.7-158.1-2.8112.5
236K57Low57Low206 Ų206147.7 Ų147.790%0.89679%0.789SS**PPolyproline II helixtrans-73.7132.6155.9-135.4175.8-174.5-179.40107.6
237G59.3Low57.7Low60 Ų60151 Ų15162%0.61980%0.798SS**PPolyproline II helixtrans-62.4162.1-17400000114.1
238I63.5Low58.2Low135 Ų135148.8 Ų148.869%0.69279%0.791SS**PPolyproline II helixtrans-64.8129.7174-69.875.4000108.2H240I238-H240 PolarHBondContact O-N 3.33Å
239P66.8Low58.5Low120 Ų120144.2 Ų144.278%0.77979%0.789SS**PPolyproline II helixtrans-71.6118.3171.729.3-32.3000109.6
240H65.1Low59Low171 Ų171146.9 Ų146.979%0.79279%0.791SS**PPolyproline II helixtrans-75.8135.1171.4-163.8-84.2000109.6I238I238-H240 PolarHBondContact O-N 3.33Å
241R70.5Confident59.2Low200 Ų200152.2 Ų152.276%0.75581%0.811SS**PPolyproline II helixtrans-78.4138.9175.3-158.7177.8-169.1-136.14.2108.9
242S62.5Low59.8Low101 Ų101156.4 Ų156.471%0.70682%0.816SS**PPolyproline II helixtrans-58.2138.8175.8-50.40000110.6L244S242-L244 PolarHBondContact O-N 3.28Å
243P69.2Low60.1Low117 Ų117155.7 Ų155.776%0.7681%0.812SS**PPolyproline II helixtrans-57.2130.9173.3-2333.6000110.4G245P243-G245 PolarHBondContact O-N 3.34Å
244L62.7Low60.7Low141 Ų141152.7 Ų152.774%0.73881%0.806SS**  trans-76.7110.1171.9-68.2172.6000107.9S242 S246S242-L244 PolarHBondContact O-N 3.28Å; L244-S246 VanDerWaalsContact C-N 3.3Å; L244-S246 PolarHBondContact O-N 3.25Å
245G56.7Low61Low83 Ų83146.8 Ų146.886%0.85680%0.797SS**  trans-68.687.8171.500000110.3P243 L247P243-G245 PolarHBondContact O-N 3.34Å; G245-L247 PolarHBondContact O-N 2.91Å
246S57.5Low61.1Low104 Ų104142.9 Ų142.973%0.72780%0.798SS**  trans-78.998.5169.8-1680000108.5L244 I248L244-S246 VanDerWaalsContact C-N 3.3Å; L244-S246 PolarHBondContact O-N 3.25Å; S246-I248 PolarHBondContact O-N 3.27Å
247L59.8Low61.4Low165 Ų165138.7 Ų138.786%0.86479%0.791SS**  trans-71.5112.8168.8-122.4172.2000107.9G245G245-L247 PolarHBondContact O-N 2.91Å
248I56.7Low61.6Low134 Ų134144.4 Ų144.469%0.68780%0.803SS**  trans-76.3122.4172.9-60.2169.3000106.8S246 E250S246-I248 PolarHBondContact O-N 3.27Å; I248-E250 HydrophobicContact CG2-CB 4.42Å
249V59.6Low61.4Low138 Ų138145.1 Ų145.184%0.83681%0.812SS**  trans-97.8105162177.10000105.6
250E61.8Low61Low179 Ų179147.2 Ų147.284%0.83682%0.815SS**  trans-87149.1175.1-158.8171151.200109.6I248I248-E250 HydrophobicContact CG2-CB 4.42Å
251L49.8Very low60.6Low233 Ų233145 Ų145100%1.2282%0.817SS**  trans-136.30-174.6-153.6173.3000107.8

Retrieved 251 of 251 residues in 76.3 ms (Link to these results)