A0A2K6AJI0_MANLE Loading...

Calcitonin

Calcitonin is a peptide hormone that causes a rapid but short-lived drop in the level of calcium and phosphate in blood by promoting the incorporation of those ions in the bones. Calcitonin function is mediated by the calcitonin receptor/CALCR and the CALCR-RAMP2 (AMYR2) receptor complex.

AlphaFold DB , UniProt , Accession A0A2K6AJI0, Species MANLE (Mandrillus leucophaeus, Drill), Gene CALCA, Length 140 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
1M48.5Very low69.2Low251 Ų251129 Ų129100%1.23667%0.672SS**  0108.80-77.7169.2154.900107.9
2G64.6Low70.6Confident52 Ų52126.8 Ų126.854%0.53666%0.661SS.*  trans-13162.4-159.400000113.9F6G2-F6 WeakPolarHBondContact O-CE2 3.24Å
3F58.5Low71.5Confident171 Ų171121.1 Ų121.175%0.7564%0.638SS**  trans-116.12177.6-67.2-75.2000115.1K5 F6F3-K5 VanDerWaalsContact C-N 3.25Å; F3-K5 PolarHBondContact O-N 2.66Å; F3-F6 AromaticContact CD1-CD2 3.76Å; F3-F6 HydrophobicContact CD1-CD2 3.76Å; F3-F6 AromaticContact CD1-CE2 3.86Å; F3-F6 HydrophobicContact CD1-CE2 3.86Å; F3-F6 HydrophobicContact CE1-CE2 4.27Å
4Q59.2Low72.4Confident181 Ų181119.7 Ų119.785%0.84663%0.63SS**THydrogen-bonded Turntrans-73.5-18.3-179.7-158.7170.810.200113.4
5K62.6Low73.2Confident173 Ų173117.9 Ų117.975%0.75262%0.62SS**THydrogen-bonded Turntrans-84-17.4-178.1-69.1171.6134.5172.40113.9F3 P8F3-K5 VanDerWaalsContact C-N 3.25Å; F3-K5 PolarHBondContact O-N 2.66Å; K5-P8 WeakPolarHBondContact O-CD 3.47Å
6F64.3Low73.9Confident122 Ų122116 Ų11654%0.53561%0.614SS.*Hα-helixtrans-85.1-14.9180-61-72.7000112.7G2 F3 F9 L10G2-F6 WeakPolarHBondContact O-CE2 3.24Å; F3-F6 AromaticContact CD1-CD2 3.76Å; F3-F6 HydrophobicContact CD1-CD2 3.76Å; F3-F6 AromaticContact CD1-CE2 3.86Å; F3-F6 HydrophobicContact CD1-CE2 3.86Å; F3-F6 HydrophobicContact CE1-CE2 4.27Å; F6-F9 PolarHBondContact O-N 3.5Å; F6-L10 VanDerWaalsContact O-CB 3.22Å; F6-L10 WeakPolarHBondContact O-CB 3.23Å; F6-L10 PolarHBondContact O-N 3.29Å
7S74.5Confident74.4Confident80 Ų80116.4 Ų116.456%0.55962%0.616SS**Hα-helixtrans-55.8-48.8178.6-168.70000113.9A11S7-A11 WeakPolarHBondContact O-CB 3.28Å; S7-A11 PolarHBondContact O-N 2.88Å
8P78.8Confident74.4Confident72 Ų72115.7 Ų115.747%0.46861%0.612SS.*Hα-helixtrans-69.3-38.3178.526.8-35.1000111.8K5 A11 L12K5-P8 WeakPolarHBondContact O-CD 3.47Å; P8-A11 PolarHBondContact O-N 3.09Å; P8-L12 WeakPolarHBondContact O-CB 3.29Å; P8-L12 WeakPolarHBondContact O-CG 3.38Å; P8-L12 PolarHBondContact O-N 2.83Å
9F83Confident74.2Confident152 Ų152116.5 Ų116.567%0.66761%0.612SS**Hα-helixtrans-65.8-39.4177.8-78.4-79.8000112.5F6 L12 S13F6-F9 PolarHBondContact O-N 3.5Å; F9-L12 PolarHBondContact O-N 3.31Å; F9-S13 WeakPolarHBondContact O-CB 3.3Å; F9-S13 PolarHBondContact O-N 3.33Å; F9-S13 PolarHBondContact O-OG 3.48Å
10L83.2Confident74Confident106 Ų106114.1 Ų114.156%0.55561%0.61SS**Hα-helixtrans-64.6-48.2175.8-175.470.3000110.3F6 L12 S13 I14F6-L10 VanDerWaalsContact O-CB 3.22Å; F6-L10 WeakPolarHBondContact O-CB 3.23Å; F6-L10 PolarHBondContact O-N 3.29Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.49Å; L10-S13 PolarHBondContact O-N 2.89Å; L10-S13 PolarHBondContact O-OG 2.89Å; L10-I14 HydrophobicContact CD1-CD1 4.36Å; L10-I14 HydrophobicContact CG-CD1 3.97Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.26Å; L10-I14 PolarHBondContact O-N 2.94Å
11A83.8Confident73.4Confident59 Ų59110.9 Ų110.949%0.48860%0.603SS.*Hα-helixtrans-58.3-45176.800000111.9S7 P8 I14 L15S7-A11 WeakPolarHBondContact O-CB 3.28Å; S7-A11 PolarHBondContact O-N 2.88Å; P8-A11 PolarHBondContact O-N 3.09Å; A11-I14 PolarHBondContact O-N 2.98Å; A11-L15 WeakPolarHBondContact O-CB 3.4Å; A11-L15 PolarHBondContact O-N 3.41Å
12L86.1Confident73.9Confident103 Ų103102 Ų10254%0.53957%0.566SS.*Hα-helixtrans-64-41.4175.9-70.1171.6000112.1P8 F9 L10 I14 L15 V16P8-L12 WeakPolarHBondContact O-CB 3.29Å; P8-L12 WeakPolarHBondContact O-CG 3.38Å; P8-L12 PolarHBondContact O-N 2.83Å; F9-L12 PolarHBondContact O-N 3.31Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.49Å; L12-I14 PolarHBondContact O-N 3.42Å; L12-L15 PolarHBondContact O-N 3.38Å; L12-V16 VanDerWaalsContact O-CG2 3.3Å; L12-V16 WeakPolarHBondContact O-CG2 3.3Å; L12-V16 PolarHBondContact O-N 3.36Å
13S82.8Confident73.4Confident52 Ų52106.8 Ų106.836%0.36458%0.579SS.*Hα-helixtrans-63.5-42.1177.471.30000112.1F9 L10 L15 V16 L17F9-S13 WeakPolarHBondContact O-CB 3.3Å; F9-S13 PolarHBondContact O-N 3.33Å; F9-S13 PolarHBondContact O-OG 3.48Å; L10-S13 PolarHBondContact O-N 2.89Å; L10-S13 PolarHBondContact O-OG 2.89Å; S13-L15 VanDerWaalsContact C-N 3.34Å; S13-L15 PolarHBondContact O-N 2.85Å; S13-V16 PolarHBondContact O-N 3.34Å; S13-L17 WeakPolarHBondContact O-CB 3.4Å; S13-L17 WeakPolarHBondContact O-CD1 3.33Å; S13-L17 PolarHBondContact O-N 2.98Å
14I83.9Confident73.1Confident102 Ų102107.2 Ų107.252%0.52358%0.583SS.*Hα-helixtrans-64.4-42.8178-67.4165.6000109.7L10 A11 L12 L17 L18L10-I14 HydrophobicContact CD1-CD1 4.36Å; L10-I14 HydrophobicContact CG-CD1 3.97Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.26Å; L10-I14 PolarHBondContact O-N 2.94Å; A11-I14 PolarHBondContact O-N 2.98Å; L12-I14 PolarHBondContact O-N 3.42Å; I14-L17 PolarHBondContact O-N 3.39Å; I14-L18 WeakPolarHBondContact O-CB 3.43Å; I14-L18 PolarHBondContact O-N 2.93Å
15L84.8Confident72.6Confident93 Ų93102.2 Ų102.249%0.48757%0.572SS.*Hα-helixtrans-62.4-43.3177.6-17165.3000112.2A11 L12 S13 L18 Q19A11-L15 WeakPolarHBondContact O-CB 3.4Å; A11-L15 PolarHBondContact O-N 3.41Å; L12-L15 PolarHBondContact O-N 3.38Å; S13-L15 VanDerWaalsContact C-N 3.34Å; S13-L15 PolarHBondContact O-N 2.85Å; L15-L18 PolarHBondContact O-N 3.4Å; L15-Q19 PolarHBondContact O-N 2.95Å
16V83.8Confident71.8Confident87 Ų8797.7 Ų97.753%0.52757%0.567SS.*Hα-helixtrans-66-42.7176.4170.10000111.3L12 S13 L18 Q19 A20L12-V16 VanDerWaalsContact O-CG2 3.3Å; L12-V16 WeakPolarHBondContact O-CG2 3.3Å; L12-V16 PolarHBondContact O-N 3.36Å; S13-V16 PolarHBondContact O-N 3.34Å; V16-L18 VanDerWaalsContact C-N 3.3Å; V16-L18 PolarHBondContact O-N 3.01Å; V16-Q19 PolarHBondContact O-N 2.87Å; V16-A20 WeakPolarHBondContact O-CB 3.5Å; V16-A20 PolarHBondContact O-N 3.42Å
17L81.9Confident71.1Confident123 Ų12397.3 Ų97.364%0.64458%0.577SS**Hα-helixtrans-64.5-35.5175.8-94.374.2000111.8S13 I14 G21S13-L17 WeakPolarHBondContact O-CB 3.4Å; S13-L17 WeakPolarHBondContact O-CD1 3.33Å; S13-L17 PolarHBondContact O-N 2.98Å; I14-L17 PolarHBondContact O-N 3.39Å; L17-G21 WeakPolarHBondContact O-CA 3.35Å; L17-G21 PolarHBondContact O-N 3.04Å
18L75.6Confident69.9Low104 Ų104102.3 Ų102.355%0.54559%0.589SS.*Hα-helixtrans-69.1-41.9176.9-163.973.5000111.5I14 L15 V16 S22I14-L18 WeakPolarHBondContact O-CB 3.43Å; I14-L18 PolarHBondContact O-N 2.93Å; L15-L18 PolarHBondContact O-N 3.4Å; V16-L18 VanDerWaalsContact C-N 3.3Å; V16-L18 PolarHBondContact O-N 3.01Å; L18-S22 WeakPolarHBondContact O-CB 3.44Å; L18-S22 PolarHBondContact O-N 3.45Å; L18-S22 PolarHBondContact O-OG 3.01Å
19Q70Confident68.8Low131 Ų131109.5 Ų109.561%0.61261%0.607SS**Hα-helixtrans-66.9-37.5174-80.9178.9-4.800113.1L15 V16 S22L15-Q19 PolarHBondContact O-N 2.95Å; V16-Q19 PolarHBondContact O-N 2.87Å; Q19-S22 PolarHBondContact O-OG 3.47Å
20A69.1Low66.9Low68 Ų68107.2 Ų107.256%0.56261%0.609SS**Hα-helixtrans-77.8-32.5177.600000112.4V16V16-A20 WeakPolarHBondContact O-CB 3.5Å; V16-A20 PolarHBondContact O-N 3.42Å
21G61.9Low64.9Low46 Ų46106.5 Ų106.547%0.47462%0.619SS.*Hα-helixtrans-82.8-18.5-178.100000114.6L17 L23 H24L17-G21 WeakPolarHBondContact O-CA 3.35Å; L17-G21 PolarHBondContact O-N 3.04Å; G21-L23 PolarHBondContact O-N 3.18Å; G21-H24 PolarHBondContact O-N 3.17Å
22S59.3Low63.1Low66 Ų66111.5 Ų111.546%0.46264%0.636SS.*THydrogen-bonded Turntrans-65.5-3.517555.40000114.2L18 Q19L18-S22 WeakPolarHBondContact O-CB 3.44Å; L18-S22 PolarHBondContact O-N 3.45Å; L18-S22 PolarHBondContact O-OG 3.01Å; Q19-S22 PolarHBondContact O-OG 3.47Å
23L53.4Low61Low152 Ų152115.4 Ų115.480%0.79665%0.652SS**THydrogen-bonded Turntrans-94.9-3176.6-76.7128.1000114.6G21G21-L23 PolarHBondContact O-N 3.18Å
24H53.3Low59.1Low180 Ų180118.2 Ų118.283%0.83367%0.672SS**THydrogen-bonded Turntrans-118.8-10.8-176-152.1102.6000116.9G21G21-H24 PolarHBondContact O-N 3.17Å
25A48.6Very low56.9Low75 Ų75118.3 Ų118.362%0.6268%0.682SS**SBendtrans-147.9139.5165.300000108.2
26A45.4Very low54.9Low79 Ų79119.9 Ų119.965%0.65370%0.697SS**  trans-28.3132-168.100000115.2F28A26-F28 WeakPolarHBondContact O-CD2 3.26Å; A26-F28 PolarHBondContact O-N 3.11Å
27P49.8Very low52.6Low113 Ų113122.3 Ų122.373%0.73471%0.707SS**  trans-62.6103.9-166.524.4-33.9000112.1R29P27-R29 PolarHBondContact O-N 2.81Å; P27-R29 VanDerWaalsContact O-N 3.07Å
28F50.1Low51Low186 Ų186121.1 Ų121.182%0.81671%0.707SS**  trans-7298.4164.8-76-85.3000109.1A26 S30A26-F28 WeakPolarHBondContact O-CD2 3.26Å; A26-F28 PolarHBondContact O-N 3.11Å; F28-S30 PolarHBondContact O-N 3.42Å; F28-S30 PolarHBondContact O-OG 3.3Å
29R54.2Low49.6Very low223 Ų223120.6 Ų120.684%0.84272%0.718SS**  trans28.171.2143.4-77.2-84.6-161.8173.82.7115P27P27-R29 PolarHBondContact O-N 2.81Å; P27-R29 VanDerWaalsContact O-N 3.07Å
30S44.7Very low48.7Very low103 Ų103119.7 Ų119.772%0.7272%0.721SS**  trans-106.161.5164.5-65.60000110.1F28F28-S30 PolarHBondContact O-N 3.42Å; F28-S30 PolarHBondContact O-OG 3.3Å
31A39.8Very low47.9Very low92 Ų92120.9 Ų120.976%0.7672%0.718SS**  trans-14038.9176.200000111.3
32L46.5Very low48Very low163 Ų163121.3 Ų121.385%0.85371%0.714SS**SBendtrans-94.3-1.8177.3-159.4106000113.4
33E41.6Very low48.4Very low185 Ų185124.6 Ų124.686%0.86472%0.721SS**SBendtrans-145.156.5-173.9-70179.9135.800113.3
34S42.8Very low49.1Very low112 Ų112122.1 Ų122.178%0.78371%0.706SS**SBendtrans-170.9109.8139.867.50000109.9
35S38.5Very low50.3Low104 Ų104118.4 Ų118.473%0.72769%0.689SS**  trans64.3101.9175.9-172.80000115.5D37S35-D37 VanDerWaalsContact C-N 3.33Å; S35-D37 PolarHBondContact O-N 2.85Å
36P42.3Very low51.8Low126 Ų126117.2 Ų117.282%0.81868%0.679SS**  trans-74.294.5163.131.2-25.9000107.2P38P36-P38 WeakPolarHBondContact O-CD 3.48Å
37D35.5Very low53.3Low137 Ų137119.8 Ų119.873%0.73367%0.672SS**  trans-79.8112155-167.223000106.7S35 A39S35-D37 VanDerWaalsContact C-N 3.33Å; S35-D37 PolarHBondContact O-N 2.85Å; D37-A39 PolarHBondContact O-N 3.3Å
38P48.5Very low55Low98 Ų98119.8 Ų119.864%0.63667%0.665SS**  trans-79.271.4-17635.2-34.9000109.2P36 T40P36-P38 WeakPolarHBondContact O-CD 3.48Å; P38-T40 PolarHBondContact O-N 3.44Å
39A47.1Very low56.8Low93 Ų93116.1 Ų116.177%0.76965%0.653SS**  trans-75.377.6154.800000107.2D37 L41D37-A39 PolarHBondContact O-N 3.3Å; A39-L41 PolarHBondContact O-N 3.36Å; A39-L41 VanDerWaalsContact O-N 3.08Å
40T50.3Low58.6Low113 Ų113110.6 Ų110.669%0.69364%0.64SS**  trans-38.398.9179.548.20000113.6P38 S42P38-T40 PolarHBondContact O-N 3.44Å; T40-S42 VanDerWaalsContact C-N 3.34Å; T40-S42 PolarHBondContact O-N 3Å
41L52.7Low60.8Low93 Ų93107.9 Ų107.949%0.48762%0.624SS.*  trans-64.5108.4141.4-151172.5000103.6A39 E43 E45 A46 L49A39-L41 PolarHBondContact O-N 3.36Å; A39-L41 VanDerWaalsContact O-N 3.08Å; L41-E43 PolarHBondContact O-N 2.86Å; L41-E45 HydrophobicContact CD2-CB 3.32Å; L41-E45 HydrophobicContact CD2-CG 4.5Å; L41-A46 HydrophobicContact CD2-CB 4.23Å; L41-L49 HydrophobicContact CD1-CD1 4.29Å; L41-L49 HydrophobicContact CD2-CD1 4.34Å
42S63.2Low63.3Low55 Ų55106 Ų10639%0.38561%0.608SS.*  trans-53.6139.7-174.3170.10000108.8T40 E44 E45 A46T40-S42 VanDerWaalsContact C-N 3.34Å; T40-S42 PolarHBondContact O-N 3Å; S42-E44 PolarHBondContact O-N 3.31Å; S42-E44 PolarHBondContact OG-N 3.34Å; S42-E45 PolarHBondContact N-OE2 2.94Å; S42-E45 WeakPolarHBondContact O-CA 3.36Å; S42-E45 WeakPolarHBondContact O-CB 3.34Å; S42-E45 PolarHBondContact O-N 3.35Å; S42-A46 PolarHBondContact O-N 3.45Å
43E68.4Low65.6Low134 Ų134104 Ų10463%0.62660%0.597SS**Hα-helixtrans-50.9-31.5177.4-169.2-174.7161.100111.2L41 A46 R47L41-E43 PolarHBondContact O-N 2.86Å; E43-A46 PolarHBondContact O-N 2.93Å; E43-R47 VanDerWaalsContact CD-NH2 3.26Å; E43-R47 VanDerWaalsContact O-CG 3.24Å; E43-R47 WeakPolarHBondContact O-CG 3.46Å; E43-R47 PolarHBondContact O-N 2.99Å; E43-R47 IonicContact OE1-CZ 3.45Å; E43-R47 IonicContact OE1-NE 3.5Å; E43-R47 PolarHBondContact OE1-NE 2.91Å; E43-R47 IonicContact OE1-NH2 2.66Å; E43-R47 PolarHBondContact OE1-NH2 3.08Å; E43-R47 IonicContact OE2-NH2 3.82Å
44E68.7Low68Low101 Ų10198.8 Ų98.847%0.47258%0.578SS.*Hα-helixtrans-68.4-41.5175.9-163.668.3174.600113.4S42 A46 R47 L48S42-E44 PolarHBondContact O-N 3.31Å; S42-E44 PolarHBondContact OG-N 3.34Å; E44-A46 VanDerWaalsContact C-N 3.33Å; E44-R47 PolarHBondContact O-N 2.85Å; E44-R47 IonicContact OE2-CZ 3.94Å; E44-R47 IonicContact OE2-NH1 3.09Å; E44-R47 PolarHBondContact OE2-NH1 2.9Å; E44-R47 VanDerWaalsContact OE2-NH1 3.09Å; E44-L48 WeakPolarHBondContact O-CB 3.37Å; E44-L48 VanDerWaalsContact O-CG 3.28Å; E44-L48 WeakPolarHBondContact O-CG 3.28Å; E44-L48 PolarHBondContact O-N 3.42Å
45E76.9Confident70.3Confident102 Ų102100.2 Ų100.248%0.47757%0.572SS.*Hα-helixtrans-68.3-34.5175.5-71.8173.1156.100111.2L41 S42 L48 L49L41-E45 HydrophobicContact CD2-CB 3.32Å; L41-E45 HydrophobicContact CD2-CG 4.5Å; S42-E45 PolarHBondContact N-OE2 2.94Å; S42-E45 WeakPolarHBondContact O-CA 3.36Å; S42-E45 WeakPolarHBondContact O-CB 3.34Å; S42-E45 PolarHBondContact O-N 3.35Å; E45-L48 PolarHBondContact O-N 2.71Å; E45-L49 WeakPolarHBondContact O-CB 3.49Å; E45-L49 WeakPolarHBondContact O-CG 3.45Å; E45-L49 PolarHBondContact O-N 3.01Å
46A80.8Confident72.8Confident49 Ų49100.5 Ų100.541%0.40557%0.566SS.*Hα-helixtrans-65.8-40173.100000111.7L41 S42 E43 E44 L50L41-A46 HydrophobicContact CD2-CB 4.23Å; S42-A46 PolarHBondContact O-N 3.45Å; E43-A46 PolarHBondContact O-N 2.93Å; E44-A46 VanDerWaalsContact C-N 3.33Å; A46-L50 WeakPolarHBondContact O-CB 3.47Å; A46-L50 PolarHBondContact O-N 2.93Å
47R76.4Confident74.9Confident133 Ų133101.2 Ų101.250%0.50255%0.553SS.*Hα-helixtrans-66.3-41173.9-70.2169.2-167.3176.4-1.3111.9E43 E44 L50 A51E43-R47 VanDerWaalsContact CD-NH2 3.26Å; E43-R47 VanDerWaalsContact O-CG 3.24Å; E43-R47 WeakPolarHBondContact O-CG 3.46Å; E43-R47 PolarHBondContact O-N 2.99Å; E43-R47 IonicContact OE1-CZ 3.45Å; E43-R47 IonicContact OE1-NE 3.5Å; E43-R47 PolarHBondContact OE1-NE 2.91Å; E43-R47 IonicContact OE1-NH2 2.66Å; E43-R47 PolarHBondContact OE1-NH2 3.08Å; E43-R47 IonicContact OE2-NH2 3.82Å; E44-R47 PolarHBondContact O-N 2.85Å; E44-R47 IonicContact OE2-CZ 3.94Å; E44-R47 IonicContact OE2-NH1 3.09Å; E44-R47 PolarHBondContact OE2-NH1 2.9Å; E44-R47 VanDerWaalsContact OE2-NH1 3.09Å; R47-L50 PolarHBondContact O-N 3.07Å; R47-A51 WeakPolarHBondContact O-CB 3.47Å; R47-A51 PolarHBondContact O-N 3.4Å
48L85.6Confident77.5Confident113 Ų11398.7 Ų98.759%0.59254%0.543SS*.Hα-helixtrans-63-43.7176.2-74.8166.6000111.6E44 E45 A51 A52E44-L48 WeakPolarHBondContact O-CB 3.37Å; E44-L48 VanDerWaalsContact O-CG 3.28Å; E44-L48 WeakPolarHBondContact O-CG 3.28Å; E44-L48 PolarHBondContact O-N 3.42Å; E45-L48 PolarHBondContact O-N 2.71Å; L48-A51 PolarHBondContact O-N 3.14Å; L48-A52 WeakPolarHBondContact O-CB 3.44Å; L48-A52 PolarHBondContact O-N 2.9Å
49L88.9Confident79.3Confident110 Ų110100.5 Ų100.558%0.57654%0.543SS*.Hα-helixtrans-63.5-42.2175.1-77.2166.7000112.1L41 E45 A52 L53L41-L49 HydrophobicContact CD1-CD1 4.29Å; L41-L49 HydrophobicContact CD2-CD1 4.34Å; E45-L49 WeakPolarHBondContact O-CB 3.49Å; E45-L49 WeakPolarHBondContact O-CG 3.45Å; E45-L49 PolarHBondContact O-N 3.01Å; L49-A52 PolarHBondContact O-N 3.08Å; L49-L53 WeakPolarHBondContact O-CB 2.93Å; L49-L53 PolarHBondContact O-N 2.87Å
50L90.9Very high80.9Confident107 Ų107100.8 Ų100.856%0.5653%0.529SS*.Hα-helixtrans-65.4-41.8177-176.561.6000111.5A46 R47 L53 V54A46-L50 WeakPolarHBondContact O-CB 3.47Å; A46-L50 PolarHBondContact O-N 2.93Å; R47-L50 PolarHBondContact O-N 3.07Å; L50-L53 PolarHBondContact O-N 3.46Å; L50-V54 HydrophobicContact CD1-CG2 4.41Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.4Å; L50-V54 PolarHBondContact O-N 3.02Å
51A91.6Very high82.1Confident46 Ų4699.4 Ų99.438%0.3851%0.514SS..Hα-helixtrans-62.9-43.2176.400000111.7R47 L48 V54 Q55R47-A51 WeakPolarHBondContact O-CB 3.47Å; R47-A51 PolarHBondContact O-N 3.4Å; L48-A51 PolarHBondContact O-N 3.14Å; A51-V54 PolarHBondContact O-N 3.26Å; A51-Q55 WeakPolarHBondContact O-CB 3.32Å; A51-Q55 VanDerWaalsContact O-CG 3.3Å; A51-Q55 WeakPolarHBondContact O-CG 3.33Å; A51-Q55 PolarHBondContact O-N 2.79Å
52A92.7Very high83.1Confident52 Ų5297.8 Ų97.843%0.4351%0.514SS..Hα-helixtrans-61.9-44175.800000111.9L48 L49 Q55 D56L48-A52 WeakPolarHBondContact O-CB 3.44Å; L48-A52 PolarHBondContact O-N 2.9Å; L49-A52 PolarHBondContact O-N 3.08Å; A52-Q55 PolarHBondContact O-N 3.4Å; A52-D56 WeakPolarHBondContact O-CB 2.94Å; A52-D56 PolarHBondContact O-N 3.46Å
53L93.3Very high83.4Confident120 Ų12098.5 Ų98.563%0.62852%0.519SS*.Hα-helixtrans-62.6-43.9177.2-169.883.8000112L49 L50 D56 Y57L49-L53 WeakPolarHBondContact O-CB 2.93Å; L49-L53 PolarHBondContact O-N 2.87Å; L50-L53 PolarHBondContact O-N 3.46Å; L53-D56 PolarHBondContact O-N 3.36Å; L53-Y57 WeakPolarHBondContact O-CB 3.22Å; L53-Y57 PolarHBondContact O-N 3.35Å
54V93.8Very high83Confident77 Ų7797.6 Ų97.647%0.46752%0.515SS..Hα-helixtrans-66.1-40178171.10000110.7L50 A51 Y57 V58L50-V54 HydrophobicContact CD1-CG2 4.41Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.4Å; L50-V54 PolarHBondContact O-N 3.02Å; A51-V54 PolarHBondContact O-N 3.26Å; V54-Y57 PolarHBondContact O-N 2.95Å; V54-V58 HydrophobicContact CG1-CG2 4.31Å; V54-V58 WeakPolarHBondContact O-CB 3.39Å; V54-V58 VanDerWaalsContact O-CG2 3.23Å; V54-V58 WeakPolarHBondContact O-CG2 3.38Å; V54-V58 PolarHBondContact O-N 2.85Å
55Q90.9Very high82.5Confident141 Ų14199.9 Ų99.966%0.65953%0.529SS*.Hα-helixtrans-62.8-46.4175.6-78.4-179.1-2.100111.8A51 A52 Y57 V58 Q59A51-Q55 WeakPolarHBondContact O-CB 3.32Å; A51-Q55 VanDerWaalsContact O-CG 3.3Å; A51-Q55 WeakPolarHBondContact O-CG 3.33Å; A51-Q55 PolarHBondContact O-N 2.79Å; A52-Q55 PolarHBondContact O-N 3.4Å; Q55-Y57 VanDerWaalsContact C-N 3.35Å; Q55-Y57 PolarHBondContact O-N 3.01Å; Q55-V58 PolarHBondContact O-N 2.73Å; Q55-Q59 VanDerWaalsContact O-CB 3.26Å; Q55-Q59 WeakPolarHBondContact O-CB 3.44Å; Q55-Q59 PolarHBondContact O-N 2.87Å
56D90.5Very high81.4Confident111 Ų11198 Ų9859%0.59454%0.538SS*.Hα-helixtrans-64.7-40.7179.2-163.948.5000111.4A52 L53 Q59 M60A52-D56 WeakPolarHBondContact O-CB 2.94Å; A52-D56 PolarHBondContact O-N 3.46Å; L53-D56 PolarHBondContact O-N 3.36Å; D56-Q59 PolarHBondContact O-N 3.05Å; D56-M60 VanDerWaalsContact O-CB 3.28Å; D56-M60 WeakPolarHBondContact O-CB 3.44Å; D56-M60 PolarHBondContact O-N 3.01Å
57Y85.7Confident79.9Confident140 Ų140102.9 Ų102.955%0.54955%0.552SS.*Hα-helixtrans-61.7-49.3173.3-177.4-97.6000111.9L53 V54 Q55 Q59 M60 K61L53-Y57 WeakPolarHBondContact O-CB 3.22Å; L53-Y57 PolarHBondContact O-N 3.35Å; V54-Y57 PolarHBondContact O-N 2.95Å; Q55-Y57 VanDerWaalsContact C-N 3.35Å; Q55-Y57 PolarHBondContact O-N 3.01Å; Y57-Q59 VanDerWaalsContact C-N 3.32Å; Y57-Q59 PolarHBondContact O-N 3Å; Y57-M60 HydrophobicContact CD2-CE 3.78Å; Y57-M60 HydrophobicContact CE2-CE 4.08Å; Y57-M60 PolarHBondContact O-N 3.49Å; Y57-K61 HydrophobicContact CD1-CG 3.99Å; Y57-K61 HydrophobicContact CE1-CD 4.2Å; Y57-K61 HydrophobicContact CE1-CG 3.62Å; Y57-K61 HydrophobicContact CE2-CD 4.21Å; Y57-K61 HydrophobicContact CE2-CG 4.32Å; Y57-K61 HydrophobicContact CG-CG 4.48Å; Y57-K61 WeakPolarHBondContact O-CB 3.44Å; Y57-K61 VanDerWaalsContact O-CG 3.26Å; Y57-K61 WeakPolarHBondContact O-CG 3.42Å; Y57-K61 PolarHBondContact O-N 3.34Å
58V90.4Very high78.1Confident85 Ų85104.1 Ų104.152%0.51556%0.564SS.*Hα-helixtrans-63.6-39179.1170.30000111.3V54 Q55 K61 A62V54-V58 HydrophobicContact CG1-CG2 4.31Å; V54-V58 WeakPolarHBondContact O-CB 3.39Å; V54-V58 VanDerWaalsContact O-CG2 3.23Å; V54-V58 WeakPolarHBondContact O-CG2 3.38Å; V54-V58 PolarHBondContact O-N 2.85Å; Q55-V58 PolarHBondContact O-N 2.73Å; V58-K61 PolarHBondContact O-N 3.22Å; V58-A62 VanDerWaalsContact O-CB 3.3Å; V58-A62 WeakPolarHBondContact O-CB 3.36Å; V58-A62 PolarHBondContact O-N 2.98Å
59Q85.6Confident76.3Confident135 Ų135102.2 Ų102.263%0.63156%0.558SS**Hα-helixtrans-66.4-42.1176.3-176.6164.110.600111.8Q55 D56 Y57 A62 S63Q55-Q59 VanDerWaalsContact O-CB 3.26Å; Q55-Q59 WeakPolarHBondContact O-CB 3.44Å; Q55-Q59 PolarHBondContact O-N 2.87Å; D56-Q59 PolarHBondContact O-N 3.05Å; Y57-Q59 VanDerWaalsContact C-N 3.32Å; Y57-Q59 PolarHBondContact O-N 3Å; Q59-A62 PolarHBondContact O-N 3.18Å; Q59-S63 WeakPolarHBondContact O-CB 3.22Å; Q59-S63 PolarHBondContact O-N 3.31Å
60M81.1Confident73.8Confident100 Ų100106.8 Ų106.849%0.49358%0.576SS.*Hα-helixtrans-60.2-46.4171.8-179.7-179.368.500111D56 Y57 A62 S63 E64D56-M60 VanDerWaalsContact O-CB 3.28Å; D56-M60 WeakPolarHBondContact O-CB 3.44Å; D56-M60 PolarHBondContact O-N 3.01Å; Y57-M60 HydrophobicContact CD2-CE 3.78Å; Y57-M60 HydrophobicContact CE2-CE 4.08Å; Y57-M60 PolarHBondContact O-N 3.49Å; M60-A62 VanDerWaalsContact C-N 3.32Å; M60-A62 PolarHBondContact O-N 3.14Å; M60-S63 PolarHBondContact O-N 3.37Å; M60-E64 WeakPolarHBondContact O-CG 3.38Å; M60-E64 PolarHBondContact O-N 3.06Å
61K75.8Confident71.7Confident83 Ų83106.8 Ų106.836%0.36158%0.581SS.*Hα-helixtrans-64.1-34.5176.5-67-49.7-63.51650112.8Y57 V58 E64 L65Y57-K61 HydrophobicContact CD1-CG 3.99Å; Y57-K61 HydrophobicContact CE1-CD 4.2Å; Y57-K61 HydrophobicContact CE1-CG 3.62Å; Y57-K61 HydrophobicContact CE2-CD 4.21Å; Y57-K61 HydrophobicContact CE2-CG 4.32Å; Y57-K61 HydrophobicContact CG-CG 4.48Å; Y57-K61 WeakPolarHBondContact O-CB 3.44Å; Y57-K61 VanDerWaalsContact O-CG 3.26Å; Y57-K61 WeakPolarHBondContact O-CG 3.42Å; Y57-K61 PolarHBondContact O-N 3.34Å; V58-K61 PolarHBondContact O-N 3.22Å; K61-E64 WeakPolarHBondContact CD-OE2 3.41Å; K61-E64 WeakPolarHBondContact CE-OE2 3.2Å; K61-E64 IonicContact NZ-OE2 2.71Å; K61-E64 PolarHBondContact NZ-OE2 3.38Å; K61-L65 PolarHBondContact O-N 2.03Å; K61-L65 VanDerWaalsContact O-N 3.11Å
62A73.7Confident69.3Low59 Ų59113.7 Ų113.749%0.48861%0.605SS.*Hα-helixtrans-73.2-38.4176.200000112V58 Q59 M60 E64 L65 G66V58-A62 VanDerWaalsContact O-CB 3.3Å; V58-A62 WeakPolarHBondContact O-CB 3.36Å; V58-A62 PolarHBondContact O-N 2.98Å; Q59-A62 PolarHBondContact O-N 3.18Å; M60-A62 VanDerWaalsContact C-N 3.32Å; M60-A62 PolarHBondContact O-N 3.14Å; A62-E64 VanDerWaalsContact C-N 3.32Å; A62-L65 PolarHBondContact O-N 3.32Å; A62-G66 PolarHBondContact O-N 3.23Å
63S70Confident66.9Low71 Ų71114.4 Ų114.450%0.49762%0.618SS.*Hα-helixtrans-63.4-39.3172.7-171.70000111.5Q59 M60 L65 G66Q59-S63 WeakPolarHBondContact O-CB 3.22Å; Q59-S63 PolarHBondContact O-N 3.31Å; M60-S63 PolarHBondContact O-N 3.37Å; S63-L65 VanDerWaalsContact C-N 3.32Å; S63-L65 PolarHBondContact O-N 2.86Å; S63-G66 PolarHBondContact O-N 3.02Å
64E59.5Low64.5Low114 Ų114114.5 Ų114.553%0.53363%0.628SS.*Hα-helixtrans-64.9-33.1172.1-77-174.5131.900112.8M60 K61 A62M60-E64 WeakPolarHBondContact O-CG 3.38Å; M60-E64 PolarHBondContact O-N 3.06Å; K61-E64 WeakPolarHBondContact CD-OE2 3.41Å; K61-E64 WeakPolarHBondContact CE-OE2 3.2Å; K61-E64 IonicContact NZ-OE2 2.71Å; K61-E64 PolarHBondContact NZ-OE2 3.38Å; A62-E64 VanDerWaalsContact C-N 3.32Å
65L58.7Low62.1Low150 Ų150115.6 Ų115.679%0.78564%0.64SS**Hα-helixtrans-80.1-19.1177.2-115.787.8000113.9K61 A62 S63K61-L65 PolarHBondContact O-N 2.03Å; K61-L65 VanDerWaalsContact O-N 3.11Å; A62-L65 PolarHBondContact O-N 3.32Å; S63-L65 VanDerWaalsContact C-N 3.32Å; S63-L65 PolarHBondContact O-N 2.86Å
66G53.1Low60.2Low63 Ų63116.5 Ų116.565%0.64965%0.648SS**THydrogen-bonded Turntrans-85.9-117900000114.9A62 S63A62-G66 PolarHBondContact O-N 3.23Å; S63-G66 PolarHBondContact O-N 3.02Å
67Q49.7Very low58Low151 Ų151119.2 Ų119.271%0.70666%0.663SS**  trans-104.137.5-175.7-71.7-171.34.500114.5
68E39.5Very low56.2Low159 Ų159117.3 Ų117.374%0.74367%0.669SS**SBendtrans-139140.2161.2-91.2-67.8107.800108.9
69P47Very low54.4Low73 Ų73118.5 Ų118.547%0.47468%0.679SS.*  -114.3132.4-94.434.2-28000113.1T71P69-T71 PolarHBondContact O-N 2.95Å
70E37.3Very low52.8Low205 Ų205123 Ų12396%0.95869%0.69SS**  trans-84.1104.8160.3-66-157.8121.300109.3
71T46.1Very low51.6Low107 Ų107123.3 Ų123.366%0.65670%0.702SS**  trans-81.3108.4167.1-62.70000107.6P69P69-T71 PolarHBondContact O-N 2.95Å
72E40.6Very low50.8Low192 Ų192128 Ų12890%0.89772%0.723SS**  trans-177133.7132.9-111.1-171.8110.200112.8
73G43.5Very low50Low67 Ų67134.7 Ų134.769%0.69174%0.735SS**  trans81.482.6143.900000118.1
74S41.3Very low49.5Very low121 Ų121134 Ų13485%0.84673%0.73SS**  155139.9106.761.40000113.7
75S44.1Very low49.8Very low101 Ų101132 Ų13271%0.70674%0.739SS**  trans78.898.1152-141.60000119.8
76L51.5Low49.8Very low160 Ų160130.2 Ų130.284%0.83873%0.731SS**  61112.4124.8-65.3168.2000119.2
77D44.2Very low50.1Low168 Ų168134 Ų13490%0.89874%0.735SS**  trans62.863.8148.4-152.541.7000117.3
78S48.5Very low50.8Low99 Ų99131 Ų13169%0.69273%0.731SS**  trans-121.7136.7156.1177.50000108R80S78-R80 PolarHBondContact O-N 3.33Å
79P52.5Low51.9Low110 Ų110127.1 Ų127.171%0.71472%0.719SS**  trans-55.1109.5-177.220.9-31.7000108.8S81P79-S81 PolarHBondContact O-N 2.8Å
80R51.1Low53Low229 Ų229125.5 Ų125.586%0.86471%0.708SS**  trans-40.597.9-177.4-176.5175.8-179.5146.9-0.7110.1S78 K82S78-R80 PolarHBondContact O-N 3.33Å; R80-K82 PolarHBondContact O-N 3.04Å
81S56.3Low54.8Low108 Ų108119.9 Ų119.976%0.75568%0.683SS**  trans-61101.2173.1-175.80000106.6P79 R83P79-S81 PolarHBondContact O-N 2.8Å; S81-R83 PolarHBondContact O-N 3.29Å; S81-R83 VanDerWaalsContact O-N 3.08Å
82K57.7Low56.1Low180 Ų180120.2 Ų120.278%0.78368%0.68SS**  trans-63.8114176.5-70.9-177.8178.6171.70105.7R80 C84R80-K82 PolarHBondContact O-N 3.04Å; K82-C84 PolarHBondContact O-N 2.71Å
83R57.6Low57.6Low200 Ų200113 Ų11376%0.75566%0.657SS**  trans-44.1107.4178.5-77-173.8175.5-170.5-1.3109.4S81 G85S81-R83 PolarHBondContact O-N 3.29Å; S81-R83 VanDerWaalsContact O-N 3.08Å; R83-G85 PolarHBondContact O-N 3.44Å
84C59.9Low58.8Low57 Ų57113 Ų11339%0.38564%0.644SS.*  trans-75.5111.1176.8-65.80000108.1K82 N86 C90K82-C84 PolarHBondContact O-N 2.71Å; C84-N86 PolarHBondContact O-N 2.94Å; C84-N86 VanDerWaalsContact O-N 3.14Å; C84-C90 HydrophobicContact CB-CB 3.21Å; C84-C90 WeakPolarHBondContact CB-SG 3.4Å; C84-C90 WeakPolarHBondContact SG-CA 3.11Å; C84-C90 WeakPolarHBondContact SG-CB 3.43Å; C84-C90 CovalentContact SG-SG 2.03Å; C84-C90 PolarHBondContact SG-SG 3.46Å
85G64.9Low60.2Low71 Ų71113.1 Ų113.173%0.73263%0.627SS**SBendtrans-62.8-18.4-179.200000114.1R83R83-G85 PolarHBondContact O-N 3.44Å
86N58.5Low61.4Low113 Ų113112.2 Ų112.260%0.60462%0.617SS**SBendtrans-152.3149.2174.6-86.1-32.6000111.6C84 S88 T89 C90C84-N86 PolarHBondContact O-N 2.94Å; C84-N86 VanDerWaalsContact O-N 3.14Å; N86-S88 VanDerWaalsContact C-N 3.32Å; N86-S88 PolarHBondContact O-N 3.18Å; N86-T89 PolarHBondContact N-OG1 3.5Å; N86-T89 PolarHBondContact O-N 3.41Å; N86-T89 PolarHBondContact O-OG1 2.92Å; N86-C90 PolarHBondContact O-N 3.41Å
87L59.4Low62.3Low142 Ų142111.1 Ų111.174%0.74361%0.608SS**Hα-helixtrans-58-40.7-176.3-163.4155000112.5C90 M91L87-C90 WeakPolarHBondContact O-CB 3.3Å; L87-C90 PolarHBondContact O-N 2.88Å; L87-M91 HydrophobicContact CD2-CG 4.08Å; L87-M91 WeakPolarHBondContact O-CG 3.41Å; L87-M91 PolarHBondContact O-N 3.12Å
88S65.1Low63.5Low88 Ų88106.5 Ų106.562%0.61558%0.583SS**Hα-helixtrans-63.7-41.7177.856.40000113.1N86 C90 L92N86-S88 VanDerWaalsContact C-N 3.32Å; N86-S88 PolarHBondContact O-N 3.18Å; S88-C90 VanDerWaalsContact C-N 3.33Å; S88-L92 PolarHBondContact O-N 2.88Å; S88-L92 VanDerWaalsContact O-N 3.14Å
89T63.3Low64.3Low79 Ų79107.6 Ų107.649%0.48558%0.576SS.*Hα-helixtrans-71.8-28.3175.644.80000112.6N86 G93N86-T89 PolarHBondContact N-OG1 3.5Å; N86-T89 PolarHBondContact O-N 3.41Å; N86-T89 PolarHBondContact O-OG1 2.92Å; T89-G93 PolarHBondContact O-N 3.48Å
90C68.8Low64.9Low38 Ų38107 Ų10726%0.25757%0.567SS.*Hα-helixtrans-67.5-48.4175.1-146.10000111.8C84 N86 L87 S88 L92 G93 T94C84-C90 HydrophobicContact CB-CB 3.21Å; C84-C90 WeakPolarHBondContact CB-SG 3.4Å; C84-C90 WeakPolarHBondContact SG-CA 3.11Å; C84-C90 WeakPolarHBondContact SG-CB 3.43Å; C84-C90 CovalentContact SG-SG 2.03Å; C84-C90 PolarHBondContact SG-SG 3.46Å; N86-C90 PolarHBondContact O-N 3.41Å; L87-C90 WeakPolarHBondContact O-CB 3.3Å; L87-C90 PolarHBondContact O-N 2.88Å; S88-C90 VanDerWaalsContact C-N 3.33Å; C90-L92 VanDerWaalsContact C-N 3.29Å; C90-L92 PolarHBondContact O-N 3.39Å; C90-G93 PolarHBondContact O-N 2.95Å; C90-G93 VanDerWaalsContact O-N 3.12Å; C90-T94 WeakPolarHBondContact O-CG2 3.48Å; C90-T94 PolarHBondContact O-N 3.36Å; C90-T94 PolarHBondContact O-OG1 2.95Å
91M76.7Confident65.2Low88 Ų88102.9 Ų102.943%0.43356%0.555SS.*Hα-helixtrans-59-42.1176-67.5-68.5-69.700110.8L87 G93 T94 Y95L87-M91 HydrophobicContact CD2-CG 4.08Å; L87-M91 WeakPolarHBondContact O-CG 3.41Å; L87-M91 PolarHBondContact O-N 3.12Å; M91-G93 VanDerWaalsContact C-N 3.35Å; M91-G93 PolarHBondContact O-N 3.43Å; M91-T94 WeakPolarHBondContact CA-OG1 3.32Å; M91-T94 PolarHBondContact O-N 3.41Å; M91-T94 PolarHBondContact O-OG1 2.85Å; M91-Y95 HydrophobicContact CB-CD2 4.43Å; M91-Y95 HydrophobicContact CB-CE2 4.33Å; M91-Y95 HydrophobicContact CE-CE2 3.95Å; M91-Y95 WeakPolarHBondContact O-CB 3.38Å; M91-Y95 WeakPolarHBondContact O-CD2 3.46Å; M91-Y95 PolarHBondContact O-N 2.83Å
92L73.1Confident65.4Low113 Ų113104 Ų10459%0.59255%0.547SS*.Hα-helixtrans-65.7-37.3176.4-173.760.9000112.6S88 C90 T96S88-L92 PolarHBondContact O-N 2.88Å; S88-L92 VanDerWaalsContact O-N 3.14Å; C90-L92 VanDerWaalsContact C-N 3.29Å; C90-L92 PolarHBondContact O-N 3.39Å; L92-T96 WeakPolarHBondContact O-CB 3.32Å; L92-T96 PolarHBondContact O-N 2.79Å; L92-T96 PolarHBondContact O-OG1 2.89Å
93G70.7Confident65.2Low40 Ų40102.5 Ų102.541%0.41254%0.542SS..Hα-helixtrans-65.3-41.1174.400000112.8T89 C90 M91 T96 Q97T89-G93 PolarHBondContact O-N 3.48Å; C90-G93 PolarHBondContact O-N 2.95Å; C90-G93 VanDerWaalsContact O-N 3.12Å; M91-G93 VanDerWaalsContact C-N 3.35Å; M91-G93 PolarHBondContact O-N 3.43Å; G93-T96 PolarHBondContact O-N 3.24Å; G93-Q97 WeakPolarHBondContact O-CB 2.96Å; G93-Q97 PolarHBondContact O-N 2.86Å
94T70.4Confident65Low69 Ų6997.5 Ų97.542%0.42353%0.534SS..Hα-helixtrans-68.5-43.9175.557.40000111.3C90 M91 T96 Q97 D98C90-T94 WeakPolarHBondContact O-CG2 3.48Å; C90-T94 PolarHBondContact O-N 3.36Å; C90-T94 PolarHBondContact O-OG1 2.95Å; M91-T94 WeakPolarHBondContact CA-OG1 3.32Å; M91-T94 PolarHBondContact O-N 3.41Å; M91-T94 PolarHBondContact O-OG1 2.85Å; T94-T96 VanDerWaalsContact C-N 3.33Å; T94-T96 PolarHBondContact O-N 2.7Å; T94-Q97 PolarHBondContact O-N 3.43Å; T94-D98 WeakPolarHBondContact O-CB 3.37Å; T94-D98 PolarHBondContact O-N 3.21Å
95Y69.8Low64.7Low122 Ų122103 Ų10348%0.47855%0.551SS.*Hα-helixtrans-59-43.9172.3-78.8-59.6000111.5M91 Q97 D98 F99M91-Y95 HydrophobicContact CB-CD2 4.43Å; M91-Y95 HydrophobicContact CB-CE2 4.33Å; M91-Y95 HydrophobicContact CE-CE2 3.95Å; M91-Y95 WeakPolarHBondContact O-CB 3.38Å; M91-Y95 WeakPolarHBondContact O-CD2 3.46Å; M91-Y95 PolarHBondContact O-N 2.83Å; Y95-Q97 VanDerWaalsContact C-N 3.33Å; Y95-Q97 PolarHBondContact O-N 2.8Å; Y95-D98 PolarHBondContact O-N 3.35Å; Y95-F99 HydrophobicContact CD1-CE2 4.45Å; Y95-F99 WeakPolarHBondContact O-CB 3.26Å; Y95-F99 WeakPolarHBondContact O-CD2 2.95Å; Y95-F99 WeakPolarHBondContact O-CG 3.44Å; Y95-F99 PolarHBondContact O-N 2.87Å
96T70.4Confident63.9Low82 Ų82103 Ų10350%0.50354%0.539SS..Hα-helixtrans-64.2-38.4178.3-56.70000111.7L92 G93 T94 N100L92-T96 WeakPolarHBondContact O-CB 3.32Å; L92-T96 PolarHBondContact O-N 2.79Å; L92-T96 PolarHBondContact O-OG1 2.89Å; G93-T96 PolarHBondContact O-N 3.24Å; T94-T96 VanDerWaalsContact C-N 3.33Å; T94-T96 PolarHBondContact O-N 2.7Å; T96-N100 VanDerWaalsContact O-CB 3.26Å; T96-N100 WeakPolarHBondContact O-CB 2.96Å; T96-N100 PolarHBondContact O-N 2.86Å
97Q69.4Low63.5Low138 Ų138106.9 Ų106.965%0.64555%0.553SS**Hα-helixtrans-66.6-39.8174.2-177.8174.75.400111.8G93 T94 Y95 N100 K101G93-Q97 WeakPolarHBondContact O-CB 2.96Å; G93-Q97 PolarHBondContact O-N 2.86Å; T94-Q97 PolarHBondContact O-N 3.43Å; Y95-Q97 VanDerWaalsContact C-N 3.33Å; Y95-Q97 PolarHBondContact O-N 2.8Å; Q97-N100 PolarHBondContact O-N 3.35Å; Q97-K101 WeakPolarHBondContact O-CB 3.44Å; Q97-K101 PolarHBondContact O-N 3.45Å
98D68.6Low62.9Low71 Ų71104.9 Ų104.938%0.3855%0.547SS..Hα-helixtrans-68.7-43.2178.8-154.634.5000110.9T94 Y95 N100 K101 F102T94-D98 WeakPolarHBondContact O-CB 3.37Å; T94-D98 PolarHBondContact O-N 3.21Å; Y95-D98 PolarHBondContact O-N 3.35Å; D98-N100 PolarHBondContact O-N 3.11Å; D98-K101 WeakPolarHBondContact O-CA 3.47Å; D98-K101 VanDerWaalsContact O-CB 3.29Å; D98-K101 WeakPolarHBondContact O-CB 3.14Å; D98-K101 PolarHBondContact O-N 2.95Å; D98-K101 VanDerWaalsContact O-N 3.11Å; D98-F102 HydrophobicContact CB-CE2 4.49Å; D98-F102 WeakPolarHBondContact O-CD2 3.48Å; D98-F102 PolarHBondContact O-N 3.35Å
99F66.9Low62.1Low122 Ų122104.2 Ų104.254%0.53555%0.547SS..Hα-helixtrans-61.7-41.3169.6-71.6-58.4000112.3Y95 K101 F102 H103Y95-F99 HydrophobicContact CD1-CE2 4.45Å; Y95-F99 WeakPolarHBondContact O-CB 3.26Å; Y95-F99 WeakPolarHBondContact O-CD2 2.95Å; Y95-F99 WeakPolarHBondContact O-CG 3.44Å; Y95-F99 PolarHBondContact O-N 2.87Å; F99-K101 PolarHBondContact O-N 3.13Å; F99-F102 HydrophobicContact CD1-CD2 4.48Å; F99-F102 CarbonylContact O-C 3.53Å; F99-F102 PolarHBondContact O-N 2.88Å; F99-F102 VanDerWaalsContact O-N 3.13Å; F99-H103 WeakPolarHBondContact O-CB 3.46Å; F99-H103 PolarHBondContact O-CD2 3.13Å; F99-H103 PolarHBondContact O-N 2.79Å
100N63.8Low61.2Low97 Ų97109.6 Ų109.652%0.51957%0.571SS.*Hα-helixtrans-65.2-30.3175.5-164.212.2000111.7T96 Q97 D98 H103 T104T96-N100 VanDerWaalsContact O-CB 3.26Å; T96-N100 WeakPolarHBondContact O-CB 2.96Å; T96-N100 PolarHBondContact O-N 2.86Å; Q97-N100 PolarHBondContact O-N 3.35Å; D98-N100 PolarHBondContact O-N 3.11Å; N100-H103 CarbonylContact O-C 3.56Å; N100-H103 PolarHBondContact O-N 3.36Å; N100-T104 WeakPolarHBondContact O-CB 3.29Å; N100-T104 PolarHBondContact O-N 2.75Å; N100-T104 PolarHBondContact O-OG1 2.7Å; N100-T104 PolarHBondContact OD1-OG1 3.33Å
101K58.9Low60.1Low143 Ų143110 Ų11062%0.62258%0.581SS**Hα-helixtrans-68.6-38.3171.6-171.5-179.1177.7-174.80111.7Q97 D98 F99 F105Q97-K101 WeakPolarHBondContact O-CB 3.44Å; Q97-K101 PolarHBondContact O-N 3.45Å; D98-K101 WeakPolarHBondContact O-CA 3.47Å; D98-K101 VanDerWaalsContact O-CB 3.29Å; D98-K101 WeakPolarHBondContact O-CB 3.14Å; D98-K101 PolarHBondContact O-N 2.95Å; D98-K101 VanDerWaalsContact O-N 3.11Å; F99-K101 PolarHBondContact O-N 3.13Å; K101-F105 PolarHBondContact O-N 3.2Å; K101-F105 VanDerWaalsContact O-N 3.13Å
102F60Low58.3Low132 Ų132113.8 Ų113.858%0.57961%0.608SS**Hα-helixtrans-69.2-32.1170.7-65.6-62.4000113D98 F99 F105D98-F102 HydrophobicContact CB-CE2 4.49Å; D98-F102 WeakPolarHBondContact O-CD2 3.48Å; D98-F102 PolarHBondContact O-N 3.35Å; F99-F102 HydrophobicContact CD1-CD2 4.48Å; F99-F102 CarbonylContact O-C 3.53Å; F99-F102 PolarHBondContact O-N 2.88Å; F99-F102 VanDerWaalsContact O-N 3.13Å; F102-F105 CarbonylContact O-C 3.4Å
103H52.7Low57.4Low148 Ų148111.9 Ų111.969%0.68562%0.616SS**Hα-helixtrans-81.8-22.3175.2-82.5-77.3000114F99 N100 P106F99-H103 WeakPolarHBondContact O-CB 3.46Å; F99-H103 PolarHBondContact O-CD2 3.13Å; F99-H103 PolarHBondContact O-N 2.79Å; N100-H103 CarbonylContact O-C 3.56Å; N100-H103 PolarHBondContact O-N 3.36Å; H103-P106 WeakPolarHBondContact O-CD 3.44Å
104T53.4Low56.2Low95 Ų95112.8 Ų112.858%0.58362%0.62SS**Hα-helixtrans-86.3-17.1175.2-59.40000111.6N100 P106N100-T104 WeakPolarHBondContact O-CB 3.29Å; N100-T104 PolarHBondContact O-N 2.75Å; N100-T104 PolarHBondContact O-OG1 2.7Å; N100-T104 PolarHBondContact OD1-OG1 3.33Å; T104-P106 WeakPolarHBondContact O-CD 3.35Å
105F53.8Low55.4Low171 Ų171115.9 Ų115.975%0.7564%0.641SS**  trans-117.172.5163.3-90.7-86.6000111.8K101 F102 Q107K101-F105 PolarHBondContact O-N 3.2Å; K101-F105 VanDerWaalsContact O-N 3.13Å; F102-F105 CarbonylContact O-C 3.4Å; F105-Q107 PolarHBondContact O-N 3.37Å
106P48.1Very low54.3Low72 Ų72114 Ų11447%0.46866%0.659SS.*  trans-73.3113.3144.528.5-13.8000105.3H103 T104 T108H103-P106 WeakPolarHBondContact O-CD 3.44Å; T104-P106 WeakPolarHBondContact O-CD 3.35Å; P106-T108 HydrophobicContact CB-CG2 3.76Å; P106-T108 PolarHBondContact O-N 2.75Å
107Q50.4Low53.1Low195 Ų195119.3 Ų119.391%0.91168%0.675SS**  trans-63.975.6149.3-84.8-162.3-17.300107.6F105F105-Q107 PolarHBondContact O-N 3.37Å
108T46.1Very low52.3Low99 Ų99122.6 Ų122.661%0.60769%0.687SS**  trans-97.490.4164.648.10000107.2P106P106-T108 HydrophobicContact CB-CG2 3.76Å; P106-T108 PolarHBondContact O-N 2.75Å
109A48.4Very low51.4Low74 Ų74129.6 Ų129.661%0.61271%0.708SS**  trans32.2108.3147.800000117.8G111A109-G111 PolarHBondContact O-N 2.97Å
110I45.6Very low50.7Low193 Ų193131.4 Ų131.499%0.9972%0.724SS**SBendtrans-79.556.8158.5-48175.3000108.8
111G45.1Very low49.9Very low45 Ų45134.2 Ų134.246%0.46474%0.735SS.*SBendtrans-121.1147.2170.700000109.3A109 G113A109-G111 PolarHBondContact O-N 2.97Å; G111-G113 VanDerWaalsContact C-N 3.32Å; G111-G113 PolarHBondContact O-N 3.25Å
112V39.7Very low49.2Very low168 Ų168132.3 Ų132.3100%1.01874%0.74SS**THydrogen-bonded Turntrans-62.685.1-173.3-167.10000110.6
113G53.9Low48.6Very low73 Ų73131 Ų13175%0.75375%0.747SS**THydrogen-bonded Turntrans164.10.6-178.700000118.3G111G111-G113 VanDerWaalsContact C-N 3.32Å; G111-G113 PolarHBondContact O-N 3.25Å
114A45.1Very low48.3Very low60 Ų60131.5 Ų131.550%0.49676%0.755SS.*  trans-74.5140.3179.600000112.8
115P52.5Low48.4Very low134 Ų134134.4 Ų134.487%0.8777%0.766SS**  trans-87.4135-165.7613.1000112.3
116G47.2Very low48.1Very low83 Ų83134.4 Ų134.486%0.85677%0.769SS**  trans118.960.3154.400000117.6
117K45.2Very low48Very low192 Ų192141.6 Ų141.684%0.83579%0.787SS**  trans-127.1110.7146.4-169.6160.9-179.61730108.3R119K117-R119 PolarHBondContact O-N 3.08Å
118K53.9Low47.4Very low208 Ų208140.5 Ų140.590%0.90479%0.787SS**  trans-55.4108.1170.7-72.6-144.6176.5-157.30107.7D120K118-D120 VanDerWaalsContact C-N 3.33Å; K118-D120 PolarHBondContact O-N 2.76Å
119R49.3Very low47.4Very low218 Ų218144.9 Ų144.982%0.82380%0.8SS**  trans-81.692.2163.6-58.5-177.3-160.31534104.9K117 M121K117-R119 PolarHBondContact O-N 3.08Å; R119-M121 HydrophobicContact CB-CG 3.98Å; R119-M121 PolarHBondContact O-N 2.96Å; R119-M121 VanDerWaalsContact O-N 3.08Å
120D52.7Low46.8Very low160 Ų160152.2 Ų152.286%0.85681%0.812SS**  trans-72.391.1151.3-145.2-5.6000104.7K118K118-D120 VanDerWaalsContact C-N 3.33Å; K118-D120 PolarHBondContact O-N 2.76Å
121M45.9Very low46.4Very low155 Ų155153.1 Ų153.176%0.76480%0.803SS**  trans-109.288.6169.8-79.5-85.9172.400103.9R119 S123R119-M121 HydrophobicContact CB-CG 3.98Å; R119-M121 PolarHBondContact O-N 2.96Å; R119-M121 VanDerWaalsContact O-N 3.08Å; M121-S123 PolarHBondContact O-N 3.15Å; M121-S123 VanDerWaalsContact O-N 3.11Å
122S45.2Very low46Very low103 Ų103161.1 Ų161.172%0.7282%0.821SS**  trans-42.7121157.950.60000107.4D124S122-D124 PolarHBondContact O-N 2.96Å
123S45.8Very low46.4Very low105 Ų105159.1 Ų159.173%0.73481%0.809SS**  trans-42.8103.2177.749.70000111.8M121 L125M121-S123 PolarHBondContact O-N 3.15Å; M121-S123 VanDerWaalsContact O-N 3.11Å; S123-L125 PolarHBondContact O-N 3.11Å; S123-L125 VanDerWaalsContact O-N 3.15Å
124D47.4Very low45.7Very low158 Ų158160.8 Ų160.885%0.84581%0.808SS**  trans-85.445163.8-150.28.9000109.9S122 E126S122-D124 PolarHBondContact O-N 2.96Å; D124-E126 VanDerWaalsContact C-N 3.33Å
125L54.7Low46Very low156 Ų156165.4 Ų165.482%0.81782%0.822SS**  trans-101.643.7168.9-166.672000109.3S123S123-L125 PolarHBondContact O-N 3.11Å; S123-L125 VanDerWaalsContact O-N 3.15Å
126E48.7Very low45.8Very low172 Ų172165.2 Ų165.280%0.80482%0.82SS**SBendtrans-161.390.5166.4-157.1146.7125.300111.1D124D124-E126 VanDerWaalsContact C-N 3.33Å
127R44.7Very low45.8Very low223 Ų223169.7 Ų169.784%0.84282%0.819SS**  trans160.666.4140.4-170.5-178.4-58.4160.53.7111.4
128N39.2Very low45.5Very low172 Ų172168.9 Ų168.992%0.9282%0.824SS**  trans-13639.4155.2-92.1-53.9000112
129H45Very low45Very low191 Ų191163.8 Ų163.888%0.88482%0.821SS**SBendtrans-117.2112.4154.5-101.6-24.8000110.5
130R36.1Very low44.8Very low227 Ų227164.7 Ų164.786%0.85784%0.842SS**  trans94.9124.9147.3-147.8-171.4-83.6-144.1-1.2117.1
131R36.6Very low44.4Very low213 Ų213165 Ų16580%0.80484%0.841SS**  trans89.7106.4164.5-55.6-168.6-170.6154.92.4116.2
132Y37.9Very low44.3Very low212 Ų212165.5 Ų165.583%0.83185%0.845SS**  -158.8124.884.8-116.9-96.1000110.6
133V47.4Very low44.3Very low127 Ų127168.9 Ų168.977%0.7785%0.852SS**  trans-68.8130.4158.3162.90000106.8
134S39.9Very low44.2Very low107 Ų107172.7 Ų172.775%0.74886%0.859SS**  trans-152.9114.3158.537.20000110.2
135M51.8Low44Very low158 Ų158173.6 Ų173.678%0.77886%0.86SS**  trans-56.5153172.6-60.3-75.4-174.900112
136P46.6Very low43.3Very low129 Ų129174.8 Ų174.884%0.83886%0.863SS**  trans-82.2113152.718.3-3.8000109.3
137Q47.9Very low42.9Very low178 Ų178175 Ų17583%0.83287%0.867SS**  trans-85.6125.1149.7-79.7178.913.200106.3
138D39.6Very low42.7Very low174 Ų174171.3 Ų171.393%0.9387%0.869SS**  trans-150.8135.5138.5-87.8-36.7000108.5
139A43.1Very low43Very low102 Ų102171.3 Ų171.384%0.84387%0.865SS**  trans-107.1134.2-16900000110
140N44.6Very low42.9Very low237 Ų237169.5 Ų169.5100%1.26786%0.863SS**  -175.40128.4-171.526.4000108.2

Retrieved 140 of 140 residues in 128.1 ms (Link to these results)