A0A077Z159_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z159, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 332 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
1M54Low56.1Low247 Ų247151.4 Ų151.4100%1.21785%0.851SS**  0107.30-68.9169.491.800106.8
2S59.5Low56Low113 Ų113148.5 Ų148.579%0.7985%0.848SS**  trans-68.4145.1174.4-55.80000109.9
3Q54.9Low55.6Low178 Ų178145.5 Ų145.583%0.83284%0.837SS**  trans-163.799.7148.7-109.3165.81700110.9
4D58.9Low55.2Low139 Ų139146.7 Ų146.774%0.74384%0.84SS**  60.7109.9127.8-52.9-35.9000121.5
5K56.7Low55.2Low184 Ų184143.3 Ų143.380%0.884%0.836SS**  trans-55.4140.4146.6-73.3172.1173.9176.10110.9
6P72.2Confident55Low125 Ų125142.6 Ų142.681%0.81284%0.837SS**  trans-108.6110.4140.830.6-23.6000109.8
7N55.8Low54.7Low146 Ų146139 Ų13978%0.78184%0.838SS**  trans-67.2129.3155.4-70.6-27.2000107.3
8N60Low54.7Low162 Ų162139.4 Ų139.487%0.86684%0.835SS**  trans-129.8106.8156.9-153.90.1000109.4
9A49.6Very low54.5Low96 Ų96143.6 Ų143.679%0.79383%0.834SS**  trans-77130.6171.800000108.4
10G51.1Low54.3Low78 Ų78146.7 Ų146.780%0.80484%0.837SS**  trans-146.871.4173.800000109.3
11Q43.8Very low54.4Low197 Ų197149.1 Ų149.192%0.92184%0.842SS**  trans-62136.7160.9-81.4170.1-30.600109.2
12S54.9Low54Low117 Ų117140.4 Ų140.482%0.81882%0.815SS**  trans-152144.1140.4-135.10000110.4
13P51.8Low53.5Low109 Ų109140.3 Ų140.371%0.70881%0.814SS**  trans-101.4159-152.638.1-32.2000114.3
14N49.7Very low53.6Low163 Ų163136.7 Ų136.787%0.87281%0.808SS**  trans17.8117.4146.3-65.2-28.3000118.6
15A55Low53.6Low95 Ų95138.7 Ų138.779%0.78581%0.813SS**  trans-135.9112.514400000108.7G17A15-G17 PolarHBondContact O-N 3.18Å
16P51.4Low53.8Low132 Ų132136.3 Ų136.386%0.85781%0.81SS**  trans-82.7106174.530.7-27.3000109.1
17G51Low53.3Low82 Ų82138 Ų13885%0.84581%0.812SS**  trans-98.591.517300000110.2A15A15-G17 PolarHBondContact O-N 3.18Å
18D54.1Low53.8Low146 Ų146138 Ų13878%0.78181%0.811SS**  trans-65.1157.2173.8-144.4-14.1000112.1
19R50.2Low54Low219 Ų219137.7 Ų137.783%0.82681%0.81SS**  trans81.7109.2165.9-54.4173.9177.2-172.6-3.1119
20K52.3Low54.4Low205 Ų205140.4 Ų140.489%0.89181%0.811SS**  -170.6114.795.3-102.2-169178.3-174.10110.7
21E55.9Low54.5Low199 Ų199139.6 Ų139.693%0.9380%0.803SS**  trans-64.5146.3155.6-59.6177.8160.800109.6
22G45.8Very low54.9Low64 Ų64134.5 Ų134.566%0.6679%0.789SS**  trans154.684.3176.800000109.5
23S47.7Very low55Low110 Ų110133.2 Ų133.277%0.76978%0.78SS**  66.198.18978.30000113.2
24S57.5Low54.9Low102 Ų102136 Ų13671%0.71378%0.784SS**  trans-168.9103.8135.56.20000107.2D26S24-D26 PolarHBondContact O-N 3.18Å
25E59.1Low55Low181 Ų181135.9 Ų135.985%0.84678%0.778SS**  trans-52.3108.7147-81.1120.7124.600108.5
26D61.9Low55.1Low135 Ų135138 Ų13872%0.72278%0.776SS**  trans-119.9109.8157.6-81.3-55.9000107.6S24 D28S24-D26 PolarHBondContact O-N 3.18Å; D26-D28 VanDerWaalsContact C-N 3.32Å; D26-D28 PolarHBondContact O-N 3.32Å
27D60.9Low55Low160 Ų160139.4 Ų139.486%0.85678%0.777SS**  trans-56.884.8169-76.4-60.5000110.7D29D27-D29 VanDerWaalsContact C-N 3.29Å; D27-D29 PolarHBondContact O-N 3.17Å; D27-D29 VanDerWaalsContact O-N 3.11Å
28D66.3Low55.2Low145 Ų145140.1 Ų140.178%0.77576%0.76SS**  trans-81.489.3160.2-79.9-38.2000108.3D26 D30D26-D28 VanDerWaalsContact C-N 3.32Å; D26-D28 PolarHBondContact O-N 3.32Å; D28-D30 PolarHBondContact O-N 3.08Å
29D63.2Low55.6Low156 Ų156138 Ų13883%0.83475%0.749SS**  trans-45.587.2163.2-161.1-5.5000109.1D27 G31D27-D29 VanDerWaalsContact C-N 3.29Å; D27-D29 PolarHBondContact O-N 3.17Å; D27-D29 VanDerWaalsContact O-N 3.11Å; D29-G31 PolarHBondContact O-N 3.26Å
30D59.7Low56Low153 Ų153134.5 Ų134.582%0.81875%0.746SS**  trans-64.877.8168.9-89.4-30.1000107.3D28 S32D28-D30 PolarHBondContact O-N 3.08Å; D30-S32 PolarHBondContact O-N 2.91Å
31G51.3Low56Low62 Ų62129.3 Ų129.364%0.63973%0.728SS**  trans-57.482.7163.800000107.8D29 S33D29-G31 PolarHBondContact O-N 3.26Å; G31-S33 VanDerWaalsContact C-N 3.34Å; G31-S33 PolarHBondContact O-N 2.88Å
32S53.5Low56.1Low90 Ų90121.1 Ų121.163%0.62969%0.693SS**  trans-46.199.5172167.70000107.6D30 E34D30-S32 PolarHBondContact O-N 2.91Å; S32-E34 PolarHBondContact O-N 3.05Å
33S55.7Low56.7Low90 Ų90121.8 Ų121.863%0.62968%0.679SS**  trans-70.782.9174.542.70000107.7G31 E35G31-S33 VanDerWaalsContact C-N 3.34Å; G31-S33 PolarHBondContact O-N 2.88Å; S33-E35 PolarHBondContact O-N 3.04Å
34E51.2Low57.1Low167 Ų167119.1 Ų119.178%0.7866%0.663SS**THydrogen-bonded Turntrans-66.19172.6-56-167.2143.500112.7S32S32-E34 PolarHBondContact O-N 3.05Å
35E52.2Low57.2Low160 Ų160117 Ų11775%0.74865%0.646SS**THydrogen-bonded Turntrans-76.1-23.5-171.5-47.4-83.1140.300113S33S33-E35 PolarHBondContact O-N 3.04Å
36D55.4Low57.1Low139 Ų139112.5 Ų112.574%0.74363%0.627SS**SBendtrans-106.3-3.3-167.9-80.8-29.5000116.1L38D36-L38 PolarHBondContact O-N 3.12Å
37N49.9Very low57.1Low163 Ų163110 Ų11087%0.87261%0.613SS**  trans-8755.7172.2-119.3-27.2000111.1D39N37-D39 PolarHBondContact O-N 3.03Å
38L55Low56.9Low96 Ų96107.3 Ų107.350%0.50360%0.599SS.*  trans-62.6103.9166.7-73.9171.9000108D36 L40 Q43D36-L38 PolarHBondContact O-N 3.12Å; L38-L40 PolarHBondContact O-N 3.01Å; L38-Q43 HydrophobicContact CB-CG 4.05Å; L38-Q43 PolarHBondContact O-NE2 3.28Å
39D62.9Low56.6Low102 Ų102102 Ų10255%0.54557%0.572SS.*  trans-37.3134.5172.3-175.723.5000110.3N37 D41 S42 Q43N37-D39 PolarHBondContact O-N 3.03Å; D39-D41 PolarHBondContact O-N 3.19Å; D39-S42 PolarHBondContact N-OG 3.44Å; D39-S42 WeakPolarHBondContact O-CA 3.46Å; D39-S42 WeakPolarHBondContact O-CB 3.36Å; D39-S42 PolarHBondContact O-N 3.14Å; D39-S42 PolarHBondContact O-OG 3.43Å; D39-Q43 PolarHBondContact O-N 2.98Å; D39-Q43 VanDerWaalsContact O-N 3.12Å
40L57.9Low56.2Low146 Ų14698 Ų9876%0.76455%0.548SS*.Hα-helixtrans-51.4-32.3-176.9-85.8125.6000111.9L38 Q43 A44L38-L40 PolarHBondContact O-N 3.01Å; L40-Q43 PolarHBondContact O-N 2.95Å; L40-A44 WeakPolarHBondContact O-CB 3.37Å; L40-A44 PolarHBondContact O-N 2.97Å
41D53.4Low56.1Low95 Ų9592.5 Ų92.551%0.50852%0.519SS..Hα-helixtrans-66.5-35.8176.2-123.327000112.6D39 T45D39-D41 PolarHBondContact O-N 3.19Å; D41-T45 WeakPolarHBondContact O-CB 3.46Å; D41-T45 PolarHBondContact O-N 3.05Å; D41-T45 PolarHBondContact O-OG1 2.83Å
42S58.2Low56.3Low27 Ų2795.1 Ų95.119%0.18952%0.515CS..Hα-helixtrans-72.6-37.3174.776.20000111.9D39 T45 L46D39-S42 PolarHBondContact N-OG 3.44Å; D39-S42 WeakPolarHBondContact O-CA 3.46Å; D39-S42 WeakPolarHBondContact O-CB 3.36Å; D39-S42 PolarHBondContact O-N 3.14Å; D39-S42 PolarHBondContact O-OG 3.43Å; S42-T45 PolarHBondContact O-N 3.03Å; S42-L46 WeakPolarHBondContact O-CB 3.37Å; S42-L46 PolarHBondContact O-N 3.08Å
43Q58.1Low56.4Low79 Ų7992.2 Ų92.237%0.36949%0.493SS..Hα-helixtrans-65.9-42172.2-66-172.415.900111.1L38 D39 L40 L46 L47L38-Q43 HydrophobicContact CB-CG 4.05Å; L38-Q43 PolarHBondContact O-NE2 3.28Å; D39-Q43 PolarHBondContact O-N 2.98Å; D39-Q43 VanDerWaalsContact O-N 3.12Å; L40-Q43 PolarHBondContact O-N 2.95Å; Q43-L46 PolarHBondContact O-N 3.17Å; Q43-L47 WeakPolarHBondContact O-CB 3.42Å; Q43-L47 PolarHBondContact O-N 3.19Å
44A56.1Low56.4Low53 Ų5389.1 Ų89.144%0.43847%0.468SS..Hα-helixtrans-64.1-39.7174.900000112L40 L47 L48L40-A44 WeakPolarHBondContact O-CB 3.37Å; L40-A44 PolarHBondContact O-N 2.97Å; A44-L47 WeakPolarHBondContact O-CB 3.3Å; A44-L47 PolarHBondContact O-N 3.41Å; A44-L48 WeakPolarHBondContact O-CB 3.46Å; A44-L48 PolarHBondContact O-N 3Å
45T58.5Low56.6Low59 Ų5985.3 Ų85.336%0.36245%0.453SS..Hα-helixtrans-65-42.8174.2-57.40000111.1D41 S42 L47 L48 V49D41-T45 WeakPolarHBondContact O-CB 3.46Å; D41-T45 PolarHBondContact O-N 3.05Å; D41-T45 PolarHBondContact O-OG1 2.83Å; S42-T45 PolarHBondContact O-N 3.03Å; T45-L47 VanDerWaalsContact C-N 3.28Å; T45-L47 PolarHBondContact O-N 3.43Å; T45-L48 PolarHBondContact O-N 2.77Å; T45-V49 HydrophobicContact CG2-CG2 4.47Å; T45-V49 WeakPolarHBondContact O-CB 3.35Å; T45-V49 VanDerWaalsContact O-CG2 3.27Å; T45-V49 WeakPolarHBondContact O-CG2 3.37Å; T45-V49 PolarHBondContact O-N 3.22Å
46L58.7Low56.7Low85 Ų8581.2 Ų81.245%0.44544%0.439SS..Hα-helixtrans-62.3-39175-175.164.4000111S42 Q43 V49 H50S42-L46 WeakPolarHBondContact O-CB 3.37Å; S42-L46 PolarHBondContact O-N 3.08Å; Q43-L46 PolarHBondContact O-N 3.17Å; L46-V49 PolarHBondContact O-N 3.4Å; L46-H50 WeakPolarHBondContact O-CB 3.27Å; L46-H50 PolarHBondContact O-CD2 3.44Å; L46-H50 PolarHBondContact O-N 2.89Å
47L60.4Low56.6Low82 Ų8277.3 Ų77.343%0.42942%0.417SS..Hα-helixtrans-63.6-45.7175.4-162.377.7000111.5Q43 A44 T45 H50 T51 I151Q43-L47 WeakPolarHBondContact O-CB 3.42Å; Q43-L47 PolarHBondContact O-N 3.19Å; A44-L47 WeakPolarHBondContact O-CB 3.3Å; A44-L47 PolarHBondContact O-N 3.41Å; T45-L47 VanDerWaalsContact C-N 3.28Å; T45-L47 PolarHBondContact O-N 3.43Å; L47-H50 WeakPolarHBondContact O-CB 3.33Å; L47-H50 PolarHBondContact O-N 2.99Å; L47-T51 PolarHBondContact O-N 2.94Å; L47-T51 PolarHBondContact O-OG1 3.32Å; L47-I151 HydrophobicContact CD1-CD1 4.15Å; L47-I151 HydrophobicContact CD1-CG2 4.38Å
48L58Low56.7Low105 Ų10571.2 Ų71.255%0.5538%0.383SS..Hα-helixtrans-63.5-43.7178.1-171.665.1000111.2A44 T45 H50 T51 E52A44-L48 WeakPolarHBondContact O-CB 3.46Å; A44-L48 PolarHBondContact O-N 3Å; T45-L48 PolarHBondContact O-N 2.77Å; L48-H50 VanDerWaalsContact C-N 3.34Å; L48-H50 PolarHBondContact O-N 3.4Å; L48-T51 WeakPolarHBondContact CA-OG1 3.38Å; L48-T51 PolarHBondContact O-N 2.92Å; L48-T51 PolarHBondContact O-OG1 3.46Å; L48-E52 PolarHBondContact O-N 2.99Å
49V58.9Low56.7Low34 Ų3473.6 Ų73.621%0.20639%0.391CS..Hα-helixtrans-65.4-37.7174.3176.10000111.1T45 L46 T51 E52 V53 A81T45-V49 HydrophobicContact CG2-CG2 4.47Å; T45-V49 WeakPolarHBondContact O-CB 3.35Å; T45-V49 VanDerWaalsContact O-CG2 3.27Å; T45-V49 WeakPolarHBondContact O-CG2 3.37Å; T45-V49 PolarHBondContact O-N 3.22Å; L46-V49 PolarHBondContact O-N 3.4Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 3.43Å; V49-E52 PolarHBondContact O-N 2.86Å; V49-V53 HydrophobicContact CG1-CG2 4.13Å; V49-V53 WeakPolarHBondContact O-CB 3.37Å; V49-V53 WeakPolarHBondContact O-CG2 3.45Å; V49-V53 PolarHBondContact O-N 3.45Å; V49-A81 HydrophobicContact CG1-CB 3.62Å
50H54.9Low56.2Low72 Ų7270 Ų7033%0.33338%0.376SS..Hα-helixtrans-63.5-37.8174.1-100.5-98000112L46 L47 L48 F54 W147L46-H50 WeakPolarHBondContact O-CB 3.27Å; L46-H50 PolarHBondContact O-CD2 3.44Å; L46-H50 PolarHBondContact O-N 2.89Å; L47-H50 WeakPolarHBondContact O-CB 3.33Å; L47-H50 PolarHBondContact O-N 2.99Å; L48-H50 VanDerWaalsContact C-N 3.34Å; L48-H50 PolarHBondContact O-N 3.4Å; H50-F54 WeakPolarHBondContact O-CB 3.47Å; H50-F54 PolarHBondContact O-N 2.78Å; H50-W147 HydrophobicContact CB-CH2 4.24Å; H50-W147 HydrophobicContact CB-CZ2 4.49Å
51T58.1Low55.9Low36 Ų3666.6 Ų66.622%0.22136%0.358CS..Hα-helixtrans-69.4-39.8174.852.80000112.8L47 L48 V49 F54 D55 W147L47-T51 PolarHBondContact O-N 2.94Å; L47-T51 PolarHBondContact O-OG1 3.32Å; L48-T51 WeakPolarHBondContact CA-OG1 3.38Å; L48-T51 PolarHBondContact O-N 2.92Å; L48-T51 PolarHBondContact O-OG1 3.46Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 3.43Å; T51-F54 WeakPolarHBondContact O-CB 3.5Å; T51-F54 PolarHBondContact O-N 2.76Å; T51-D55 PolarHBondContact O-N 2.98Å; T51-W147 HydrophobicContact CG2-CZ3 4.33Å
52E55.1Low56Low118 Ų11866.2 Ų66.255%0.55137%0.368SS*.Hα-helixtrans-67.2-39.3175.3-72.7-178.8179.300111.6L48 V49 F54 D55 V56L48-E52 PolarHBondContact O-N 2.99Å; V49-E52 PolarHBondContact O-N 2.86Å; E52-F54 VanDerWaalsContact C-N 3.26Å; E52-F54 PolarHBondContact O-N 2.9Å; E52-D55 PolarHBondContact O-N 2.66Å; E52-V56 WeakPolarHBondContact O-CG2 3.44Å; E52-V56 PolarHBondContact O-N 3.41Å; E52-V56 VanDerWaalsContact O-N 3.11Å
53V56.7Low55.9Low28 Ų2870.4 Ų70.417%0.1739%0.393CS..Hα-helixtrans-62.9-35.4172.91720000110.6V49 V56 E57V49-V53 HydrophobicContact CG1-CG2 4.13Å; V49-V53 WeakPolarHBondContact O-CB 3.37Å; V49-V53 WeakPolarHBondContact O-CG2 3.45Å; V49-V53 PolarHBondContact O-N 3.45Å; V53-V56 PolarHBondContact O-N 3.44Å; V53-E57 WeakPolarHBondContact O-CB 3.48Å; V53-E57 PolarHBondContact O-N 3.37Å
54F55.2Low55.6Low25 Ų2568.6 Ų68.611%0.1138%0.384CS..Hα-helixtrans-69-37.6177-167.8-96.7000113.1H50 T51 E52 E57 H58 R144H50-F54 WeakPolarHBondContact O-CB 3.47Å; H50-F54 PolarHBondContact O-N 2.78Å; T51-F54 WeakPolarHBondContact O-CB 3.5Å; T51-F54 PolarHBondContact O-N 2.76Å; E52-F54 VanDerWaalsContact C-N 3.26Å; E52-F54 PolarHBondContact O-N 2.9Å; F54-E57 WeakPolarHBondContact CD2-OE2 3.41Å; F54-E57 WeakPolarHBondContact O-CB 3.48Å; F54-E57 PolarHBondContact O-N 2.96Å; F54-H58 AromaticContact CD1-CD2 3.66Å; F54-H58 AromaticContact CE1-CD2 3.24Å; F54-H58 WeakPolarHBondContact CE1-CD2 3.36Å; F54-H58 AromaticContact CE1-NE2 3.29Å; F54-H58 VanDerWaalsContact CE1-NE2 3.29Å; F54-H58 WeakPolarHBondContact CE1-NE2 3.47Å; F54-H58 AromaticContact CE2-NE2 3.49Å; F54-H58 WeakPolarHBondContact CE2-NE2 3.47Å; F54-H58 AromaticContact CZ-CD2 3.45Å; F54-H58 VanDerWaalsContact CZ-CD2 3.45Å; F54-H58 WeakPolarHBondContact CZ-CD2 3.23Å; F54-H58 AromaticContact CZ-NE2 2.95Å; F54-H58 WeakPolarHBondContact CZ-NE2 3.4Å; F54-H58 PolarHBondContact O-CD2 2.83Å; F54-H58 PolarHBondContact O-N 3.24Å; F54-R144 HydrophobicContact CE1-CB 4.06Å; F54-R144 HydrophobicContact CE1-CG 4.26Å; F54-R144 HydrophobicContact CZ-CB 4.45Å
55D54.5Low56Low87 Ų8778.1 Ų78.147%0.46541%0.409SS..Hα-helixtrans-69-38.6175.8-73.8-22.1000111T51 E52 Q59 R144T51-D55 PolarHBondContact O-N 2.98Å; E52-D55 PolarHBondContact O-N 2.66Å; D55-Q59 PolarHBondContact O-N 2.68Å; D55-R144 IonicContact OD1-NH1 3.9Å
56V55Low56.7Low74 Ų7479 Ų7945%0.44841%0.411SS..Hα-helixtrans-67-38.1171.1176.90000111.4E52 V53 H58 Q59 A60 L77E52-V56 WeakPolarHBondContact O-CG2 3.44Å; E52-V56 PolarHBondContact O-N 3.41Å; E52-V56 VanDerWaalsContact O-N 3.11Å; V53-V56 PolarHBondContact O-N 3.44Å; V56-H58 PolarHBondContact O-N 3.12Å; V56-Q59 PolarHBondContact O-N 2.79Å; V56-A60 VanDerWaalsContact O-CB 3.31Å; V56-A60 WeakPolarHBondContact O-CB 3.27Å; V56-A60 PolarHBondContact O-N 3.49Å; V56-L77 HydrophobicContact CG1-CD1 4.11Å
57E53.8Low57.4Low58 Ų5879.5 Ų79.527%0.27142%0.42SS..Hα-helixtrans-57-46.4177.2171.8-179-169.200111V53 F54 L61V53-E57 WeakPolarHBondContact O-CB 3.48Å; V53-E57 PolarHBondContact O-N 3.37Å; F54-E57 WeakPolarHBondContact CD2-OE2 3.41Å; F54-E57 WeakPolarHBondContact O-CB 3.48Å; F54-E57 PolarHBondContact O-N 2.96Å; E57-L61 HydrophobicContact CG-CD1 3.63Å; E57-L61 HydrophobicContact CG-CG 4.33Å; E57-L61 WeakPolarHBondContact O-CB 3.39Å; E57-L61 WeakPolarHBondContact O-CG 3.47Å; E57-L61 PolarHBondContact O-N 3.01Å
58H50.8Low58.3Low35 Ų3581.5 Ų81.516%0.16243%0.427CS..Hα-helixtrans-76.1-33.3-178.7-81.1-59.9000113.8F54 V56 A60 A62 I140F54-H58 AromaticContact CD1-CD2 3.66Å; F54-H58 AromaticContact CE1-CD2 3.24Å; F54-H58 WeakPolarHBondContact CE1-CD2 3.36Å; F54-H58 AromaticContact CE1-NE2 3.29Å; F54-H58 VanDerWaalsContact CE1-NE2 3.29Å; F54-H58 WeakPolarHBondContact CE1-NE2 3.47Å; F54-H58 AromaticContact CE2-NE2 3.49Å; F54-H58 WeakPolarHBondContact CE2-NE2 3.47Å; F54-H58 AromaticContact CZ-CD2 3.45Å; F54-H58 VanDerWaalsContact CZ-CD2 3.45Å; F54-H58 WeakPolarHBondContact CZ-CD2 3.23Å; F54-H58 AromaticContact CZ-NE2 2.95Å; F54-H58 WeakPolarHBondContact CZ-NE2 3.4Å; F54-H58 PolarHBondContact O-CD2 2.83Å; F54-H58 PolarHBondContact O-N 3.24Å; V56-H58 PolarHBondContact O-N 3.12Å; H58-A60 VanDerWaalsContact C-N 3.35Å; H58-A62 WeakPolarHBondContact O-CB 3.43Å; H58-A62 PolarHBondContact O-N 3.13Å; H58-I140 HydrophobicContact CB-CD1 4.42Å
59Q56.2Low59.1Low146 Ų14681.6 Ų81.668%0.68242%0.423SS*.Hα-helixtrans-67.8-39174.1-160.616926.700111.3D55 V56 T63D55-Q59 PolarHBondContact O-N 2.68Å; V56-Q59 PolarHBondContact O-N 2.79Å; Q59-T63 WeakPolarHBondContact O-CG2 3.47Å; Q59-T63 PolarHBondContact O-OG1 2.96Å
60A51.8Low59.6Low27 Ų2781.1 Ų81.122%0.22342%0.421CS..Hα-helixtrans-70.1-48.3175.500000111.9V56 H58 A62 T63 E64V56-A60 VanDerWaalsContact O-CB 3.31Å; V56-A60 WeakPolarHBondContact O-CB 3.27Å; V56-A60 PolarHBondContact O-N 3.49Å; H58-A60 VanDerWaalsContact C-N 3.35Å; A60-A62 VanDerWaalsContact C-N 3.29Å; A60-A62 PolarHBondContact O-N 2.93Å; A60-T63 CarbonylContact O-C 3.48Å; A60-T63 PolarHBondContact O-N 3.4Å; A60-T63 PolarHBondContact O-OG1 3.33Å; A60-E64 WeakPolarHBondContact O-CB 3.33Å; A60-E64 PolarHBondContact O-N 3.03Å
61L50.8Low60.7Low74 Ų7482.2 Ų82.239%0.38743%0.426SS..Hα-helixtrans-64.6-30.3178.8-72.9174.9000112.9E57 T63E57-L61 HydrophobicContact CG-CD1 3.63Å; E57-L61 HydrophobicContact CG-CG 4.33Å; E57-L61 WeakPolarHBondContact O-CB 3.39Å; E57-L61 WeakPolarHBondContact O-CG 3.47Å; E57-L61 PolarHBondContact O-N 3.01Å; L61-T63 PolarHBondContact O-N 3.35Å
62A55.9Low62Low86 Ų8689.2 Ų89.271%0.71145%0.448SS*.Hα-helixtrans-64.9-26.1172.100000112.2H58 A60H58-A62 WeakPolarHBondContact O-CB 3.43Å; H58-A62 PolarHBondContact O-N 3.13Å; A60-A62 VanDerWaalsContact C-N 3.29Å; A60-A62 PolarHBondContact O-N 2.93Å
63T57.4Low63.3Low116 Ų11686.7 Ų86.771%0.71244%0.438SS*.Hα-helixtrans-101.9-26.3-178.463.30000113.8Q59 A60 L61Q59-T63 WeakPolarHBondContact O-CG2 3.47Å; Q59-T63 PolarHBondContact O-OG1 2.96Å; A60-T63 CarbonylContact O-C 3.48Å; A60-T63 PolarHBondContact O-N 3.4Å; A60-T63 PolarHBondContact O-OG1 3.33Å; L61-T63 PolarHBondContact O-N 3.35Å
64E51.4Low64.4Low40 Ų4088.9 Ų88.919%0.18745%0.447CS..  trans-112111.5-167-157.8164-124.900112A60 D66 K69 I73A60-E64 WeakPolarHBondContact O-CB 3.33Å; A60-E64 PolarHBondContact O-N 3.03Å; E64-D66 VanDerWaalsContact C-N 3.26Å; E64-D66 PolarHBondContact O-N 3.26Å; E64-K69 WeakPolarHBondContact OE1-CD 3.37Å; E64-K69 WeakPolarHBondContact OE1-CE 3.48Å; E64-K69 IonicContact OE1-NZ 2.65Å; E64-K69 PolarHBondContact OE1-NZ 2.96Å; E64-I73 VanDerWaalsContact OE2-CD1 3.23Å; E64-I73 WeakPolarHBondContact OE2-CD1 3.29Å
65R63.2Low66Low254 Ų25493.9 Ų93.996%0.95847%0.469SS*.  trans-78.8-2.7-173.8-145.1175.2-175.21640.4114
66D74.3Confident67.6Low78 Ų7893.4 Ų93.442%0.41747%0.472SS..  trans-112.1108-173.7-173.9-8.2000111.8E64 Q68 K69 S70E64-D66 VanDerWaalsContact C-N 3.26Å; E64-D66 PolarHBondContact O-N 3.26Å; D66-Q68 VanDerWaalsContact C-N 3.26Å; D66-Q68 PolarHBondContact O-N 3.09Å; D66-Q68 PolarHBondContact OD1-N 2.78Å; D66-K69 HydrophobicContact CB-CB 4.2Å; D66-K69 PolarHBondContact O-N 3.02Å; D66-S70 PolarHBondContact O-N 2.8Å
67P72.6Confident68.9Low95 Ų9592.7 Ų92.762%0.61747%0.466SS*.Hα-helixtrans-63.9-27.9-177.426-34.3000113.6K69 S70 E71P67-K69 VanDerWaalsContact C-N 3.34Å; P67-S70 WeakPolarHBondContact CA-OG 3.49Å; P67-S70 PolarHBondContact O-OG 3.05Å; P67-E71 PolarHBondContact O-N 2.83Å; P67-E71 VanDerWaalsContact O-N 3.08Å
68Q79.9Confident70.5Confident124 Ų12493 Ų9358%0.57947%0.468SS*.Hα-helixtrans-71.4-34.8178.8-71.3-169.8-17.100111.5D66 R72D66-Q68 VanDerWaalsContact C-N 3.26Å; D66-Q68 PolarHBondContact O-N 3.09Å; D66-Q68 PolarHBondContact OD1-N 2.78Å; Q68-R72 WeakPolarHBondContact O-CG 3.42Å; Q68-R72 PolarHBondContact O-N 3.43Å
69K75.6Confident72.4Confident107 Ų10797.7 Ų97.747%0.46549%0.488SS..Hα-helixtrans-71.5-41.5178.5-165.4167.3169-144.80110.8E64 D66 P67 E71 R72 I73E64-K69 WeakPolarHBondContact OE1-CD 3.37Å; E64-K69 WeakPolarHBondContact OE1-CE 3.48Å; E64-K69 IonicContact OE1-NZ 2.65Å; E64-K69 PolarHBondContact OE1-NZ 2.96Å; D66-K69 HydrophobicContact CB-CB 4.2Å; D66-K69 PolarHBondContact O-N 3.02Å; P67-K69 VanDerWaalsContact C-N 3.34Å; K69-E71 VanDerWaalsContact C-N 3.32Å; K69-E71 PolarHBondContact O-N 2.83Å; K69-R72 PolarHBondContact O-N 3.38Å; K69-I73 HydrophobicContact CG-CD1 4.26Å; K69-I73 WeakPolarHBondContact O-CG1 3.44Å; K69-I73 PolarHBondContact O-N 3.46Å
70S68Low74Confident23 Ų2397.7 Ų97.716%0.16149%0.485CS..Hα-helixtrans-60.7-40.3173.859.10000112.2D66 P67 R72 I73 M74D66-S70 PolarHBondContact O-N 2.8Å; P67-S70 WeakPolarHBondContact CA-OG 3.49Å; P67-S70 PolarHBondContact O-OG 3.05Å; S70-R72 PolarHBondContact O-N 3.49Å; S70-I73 PolarHBondContact O-N 3.01Å; S70-M74 WeakPolarHBondContact O-CB 3.33Å; S70-M74 PolarHBondContact O-N 2.87Å
71E77.9Confident75.3Confident95 Ų9597.3 Ų97.344%0.44448%0.483SS..Hα-helixtrans-64.2-40.4177.5-164-166151.400112.1P67 K69 M74 K75P67-E71 PolarHBondContact O-N 2.83Å; P67-E71 VanDerWaalsContact O-N 3.08Å; K69-E71 VanDerWaalsContact C-N 3.32Å; K69-E71 PolarHBondContact O-N 2.83Å; E71-M74 PolarHBondContact O-N 2.86Å; E71-K75 HydrophobicContact CG-CD 4.49Å; E71-K75 WeakPolarHBondContact O-CB 3.33Å; E71-K75 WeakPolarHBondContact O-CG 3.15Å; E71-K75 PolarHBondContact O-N 2.8Å; E71-K75 VanDerWaalsContact OE1-CE 3.28Å; E71-K75 WeakPolarHBondContact OE1-CE 3.34Å; E71-K75 IonicContact OE1-NZ 2.66Å; E71-K75 PolarHBondContact OE1-NZ 2.87Å
72R86.5Confident77Confident183 Ų183102.2 Ų102.269%0.69150%0.496SS*.Hα-helixtrans-64.1-42.2175.2-72.3-179.4-167.6178.25.5112Q68 K69 S70 M74 K75 S76Q68-R72 WeakPolarHBondContact O-CG 3.42Å; Q68-R72 PolarHBondContact O-N 3.43Å; K69-R72 PolarHBondContact O-N 3.38Å; S70-R72 PolarHBondContact O-N 3.49Å; R72-M74 VanDerWaalsContact C-N 3.35Å; R72-K75 PolarHBondContact O-N 3.42Å; R72-S76 WeakPolarHBondContact O-CB 3.46Å; R72-S76 PolarHBondContact O-N 3.31Å
73I81.7Confident78.5Confident65 Ų65104.2 Ų104.233%0.33349%0.489SS..Hα-helixtrans-62.8-45.3176.8-67166.6000109.7E64 K69 S70 S76 L77E64-I73 VanDerWaalsContact OE2-CD1 3.23Å; E64-I73 WeakPolarHBondContact OE2-CD1 3.29Å; K69-I73 HydrophobicContact CG-CD1 4.26Å; K69-I73 WeakPolarHBondContact O-CG1 3.44Å; K69-I73 PolarHBondContact O-N 3.46Å; S70-I73 PolarHBondContact O-N 3.01Å; I73-S76 WeakPolarHBondContact O-CB 3.49Å; I73-S76 PolarHBondContact O-N 2.85Å; I73-L77 HydrophobicContact CG2-CD1 3.98Å; I73-L77 HydrophobicContact CG2-CG 4.46Å; I73-L77 WeakPolarHBondContact O-CG 3.38Å; I73-L77 PolarHBondContact O-N 3.22Å
74M80.4Confident79.6Confident74 Ų74103.2 Ų103.237%0.36548%0.476SS..Hα-helixtrans-59.2-50.4176.7-175.6-171.5-68.800111.8S70 E71 R72 S76 L77 M78S70-M74 WeakPolarHBondContact O-CB 3.33Å; S70-M74 PolarHBondContact O-N 2.87Å; E71-M74 PolarHBondContact O-N 2.86Å; R72-M74 VanDerWaalsContact C-N 3.35Å; M74-S76 PolarHBondContact O-N 3.38Å; M74-L77 PolarHBondContact O-N 3.22Å; M74-M78 HydrophobicContact CG-CG 4.48Å; M74-M78 HydrophobicContact CG-SD 4.49Å; M74-M78 WeakPolarHBondContact O-CG 3.36Å; M74-M78 PolarHBondContact O-N 2.86Å
75K88.1Confident80.8Confident131 Ų131103.5 Ų103.557%0.5748%0.48SS*.Hα-helixtrans-57.4-39.6176.1-78.6174.8168.5165.40111.8E71 R72 K79E71-K75 HydrophobicContact CG-CD 4.49Å; E71-K75 WeakPolarHBondContact O-CB 3.33Å; E71-K75 WeakPolarHBondContact O-CG 3.15Å; E71-K75 PolarHBondContact O-N 2.8Å; E71-K75 VanDerWaalsContact OE1-CE 3.28Å; E71-K75 WeakPolarHBondContact OE1-CE 3.34Å; E71-K75 IonicContact OE1-NZ 2.66Å; E71-K75 PolarHBondContact OE1-NZ 2.87Å; R72-K75 PolarHBondContact O-N 3.42Å; K75-K79 VanDerWaalsContact O-CB 3.26Å; K75-K79 WeakPolarHBondContact O-CB 3.31Å; K75-K79 PolarHBondContact O-N 3.45Å
76S87.9Confident81.7Confident77 Ų7798.7 Ų98.754%0.53847%0.466SS..Hα-helixtrans-65.4-46.6176.3-171.90000112.2R72 I73 M74 K79 K80R72-S76 WeakPolarHBondContact O-CB 3.46Å; R72-S76 PolarHBondContact O-N 3.31Å; I73-S76 WeakPolarHBondContact O-CB 3.49Å; I73-S76 PolarHBondContact O-N 2.85Å; M74-S76 PolarHBondContact O-N 3.38Å; S76-K79 PolarHBondContact O-N 2.8Å; S76-K80 PolarHBondContact O-N 3.28Å
77L83.7Confident82Confident59 Ų59102.7 Ų102.731%0.30948%0.48SS..Hα-helixtrans-63.6-47.3177.7-76.3171.3000111.8V56 I73 M74 K79 K80 A81V56-L77 HydrophobicContact CG1-CD1 4.11Å; I73-L77 HydrophobicContact CG2-CD1 3.98Å; I73-L77 HydrophobicContact CG2-CG 4.46Å; I73-L77 WeakPolarHBondContact O-CG 3.38Å; I73-L77 PolarHBondContact O-N 3.22Å; M74-L77 PolarHBondContact O-N 3.22Å; L77-K79 VanDerWaalsContact C-N 3.3Å; L77-K79 PolarHBondContact O-N 3.32Å; L77-K80 WeakPolarHBondContact O-CA 3.37Å; L77-K80 WeakPolarHBondContact O-CB 3.29Å; L77-K80 PolarHBondContact O-N 2.82Å; L77-A81 PolarHBondContact O-N 2.87Å
78M85.8Confident82.2Confident63 Ų63103.7 Ų103.731%0.3148%0.475SS..Hα-helixtrans-59.5-41.8175.9-71.7-167.481.700111.8M74 K80 A81 R82M74-M78 HydrophobicContact CG-CG 4.48Å; M74-M78 HydrophobicContact CG-SD 4.49Å; M74-M78 WeakPolarHBondContact O-CG 3.36Å; M74-M78 PolarHBondContact O-N 2.86Å; M78-K80 VanDerWaalsContact C-N 3.31Å; M78-K80 PolarHBondContact O-N 2.91Å; M78-A81 PolarHBondContact O-N 2.93Å; M78-R82 WeakPolarHBondContact O-CB 3.4Å; M78-R82 WeakPolarHBondContact O-CG 3.34Å; M78-R82 PolarHBondContact O-N 2.81Å
79K91.1Very high81.6Confident135 Ų135102 Ų10259%0.58747%0.47SS*.Hα-helixtrans-63-38.4175.4-172172.9-174.2172.70111.6K75 S76 L77 K83K75-K79 VanDerWaalsContact O-CB 3.26Å; K75-K79 WeakPolarHBondContact O-CB 3.31Å; K75-K79 PolarHBondContact O-N 3.45Å; S76-K79 PolarHBondContact O-N 2.8Å; L77-K79 VanDerWaalsContact C-N 3.3Å; L77-K79 PolarHBondContact O-N 3.32Å; K79-K83 WeakPolarHBondContact O-CG 3.35Å; K79-K83 PolarHBondContact O-N 2.71Å; K79-K83 VanDerWaalsContact O-N 3.12Å
80K89.3Confident81.3Confident145 Ų145100.5 Ų100.563%0.6347%0.469SS*.Hα-helixtrans-67.2-45.8176.2-170.3179177.9-174.90111.5S76 L77 M78 K83 E84S76-K80 PolarHBondContact O-N 3.28Å; L77-K80 WeakPolarHBondContact O-CA 3.37Å; L77-K80 WeakPolarHBondContact O-CB 3.29Å; L77-K80 PolarHBondContact O-N 2.82Å; M78-K80 VanDerWaalsContact C-N 3.31Å; M78-K80 PolarHBondContact O-N 2.91Å; K80-K83 WeakPolarHBondContact O-CB 3.24Å; K80-K83 PolarHBondContact O-N 3.39Å; K80-E84 PolarHBondContact O-N 3.29Å
81A80.6Confident80.9Confident20 Ų20101.2 Ų101.217%0.16548%0.48CS..Hα-helixtrans-57.6-50.5175.500000112V49 L77 M78 K83 E84 V85V49-A81 HydrophobicContact CG1-CB 3.62Å; L77-A81 PolarHBondContact O-N 2.87Å; M78-A81 PolarHBondContact O-N 2.93Å; A81-K83 VanDerWaalsContact C-N 3.29Å; A81-K83 PolarHBondContact O-N 3.11Å; A81-E84 PolarHBondContact O-N 2.96Å; A81-V85 WeakPolarHBondContact O-CG2 3.42Å; A81-V85 PolarHBondContact O-N 2.99Å
82R86.6Confident79.9Confident176 Ų176105 Ų10566%0.66449%0.49SS*.Hα-helixtrans-58-41.4176.6-71.9178.9-177.7-170.31112M78 E84 K86M78-R82 WeakPolarHBondContact O-CB 3.4Å; M78-R82 WeakPolarHBondContact O-CG 3.34Å; M78-R82 PolarHBondContact O-N 2.81Å; R82-E84 VanDerWaalsContact C-N 3.33Å; R82-E84 PolarHBondContact O-N 2.77Å; R82-K86 WeakPolarHBondContact O-CB 3.35Å; R82-K86 PolarHBondContact O-N 2.94Å
83K87.3Confident78.4Confident129 Ų129101.4 Ų101.456%0.56149%0.489SS*.Hα-helixtrans-63.6-38175-78.2-179.6176.1-171.80112.3K79 K80 A81 K87K79-K83 WeakPolarHBondContact O-CG 3.35Å; K79-K83 PolarHBondContact O-N 2.71Å; K79-K83 VanDerWaalsContact O-N 3.12Å; K80-K83 WeakPolarHBondContact O-CB 3.24Å; K80-K83 PolarHBondContact O-N 3.39Å; A81-K83 VanDerWaalsContact C-N 3.29Å; A81-K83 PolarHBondContact O-N 3.11Å; K83-K87 WeakPolarHBondContact O-CG 3.43Å; K83-K87 PolarHBondContact O-N 3Å
84E79.4Confident77.2Confident94 Ų94105.8 Ų105.844%0.43951%0.506SS..Hα-helixtrans-70.2-43.1178.9-165.4179.7149.400112.2K80 A81 R82 K86 K87 K88K80-E84 PolarHBondContact O-N 3.29Å; A81-E84 PolarHBondContact O-N 2.96Å; R82-E84 VanDerWaalsContact C-N 3.33Å; R82-E84 PolarHBondContact O-N 2.77Å; E84-K86 VanDerWaalsContact C-N 3.33Å; E84-K86 PolarHBondContact O-N 3.18Å; E84-K87 WeakPolarHBondContact O-CB 3.15Å; E84-K87 PolarHBondContact O-N 3.47Å; E84-K88 PolarHBondContact O-N 3.09Å; E84-K88 VanDerWaalsContact OE1-CE 3.23Å; E84-K88 WeakPolarHBondContact OE1-CE 3.34Å; E84-K88 IonicContact OE1-NZ 2.77Å; E84-K88 PolarHBondContact OE1-NZ 2.98Å
85V77.4Confident75.8Confident46 Ų46110.5 Ų110.528%0.27952%0.524SS..Hα-helixtrans-59.4-46.2173.6175.30000110.3A81 K87 K88 N89A81-V85 WeakPolarHBondContact O-CG2 3.42Å; A81-V85 PolarHBondContact O-N 2.99Å; V85-K87 VanDerWaalsContact C-N 3.31Å; V85-K87 PolarHBondContact O-N 3.34Å; V85-K88 PolarHBondContact O-N 3.24Å; V85-K88 VanDerWaalsContact O-N 3.13Å; V85-N89 PolarHBondContact O-N 2.9Å
86K82.2Confident74Confident153 Ų153113.9 Ų113.967%0.66554%0.539SS*.Hα-helixtrans-59.4-40.8176.1-169167.1-176.6167.30112R82 E84 N89 V90R82-K86 WeakPolarHBondContact O-CB 3.35Å; R82-K86 PolarHBondContact O-N 2.94Å; E84-K86 VanDerWaalsContact C-N 3.33Å; E84-K86 PolarHBondContact O-N 3.18Å; K86-N89 PolarHBondContact O-N 3.31Å; K86-V90 VanDerWaalsContact O-CG2 3.3Å; K86-V90 WeakPolarHBondContact O-CG2 3.09Å; K86-V90 PolarHBondContact O-N 3.47Å; K86-V90 VanDerWaalsContact O-N 3.09Å
87K80.3Confident72.1Confident162 Ų162114.9 Ų114.970%0.70455%0.546SS*.Hα-helixtrans-64.1-41.5174.9-77178.3178.1-1730112.6K83 E84 V85 G91K83-K87 WeakPolarHBondContact O-CG 3.43Å; K83-K87 PolarHBondContact O-N 3Å; E84-K87 WeakPolarHBondContact O-CB 3.15Å; E84-K87 PolarHBondContact O-N 3.47Å; V85-K87 VanDerWaalsContact C-N 3.31Å; V85-K87 PolarHBondContact O-N 3.34Å; K87-G91 PolarHBondContact O-N 3.21Å
88K76.1Confident70.4Confident117 Ų117120.2 Ų120.251%0.50957%0.569SS.*Hα-helixtrans-66.6-38.8178.9-73.3178.2-1771660111.7E84 V85 G91 R92E84-K88 PolarHBondContact O-N 3.09Å; E84-K88 VanDerWaalsContact OE1-CE 3.23Å; E84-K88 WeakPolarHBondContact OE1-CE 3.34Å; E84-K88 IonicContact OE1-NZ 2.77Å; E84-K88 PolarHBondContact OE1-NZ 2.98Å; V85-K88 PolarHBondContact O-N 3.24Å; V85-K88 VanDerWaalsContact O-N 3.13Å; K88-G91 PolarHBondContact O-N 3.34Å; K88-R92 PolarHBondContact O-N 3.49Å
89N67.4Low68.1Low88 Ų88126.7 Ų126.747%0.47160%0.595SS.*Hα-helixtrans-68.4-43.2177.5-72.32.1000112.1V85 K86 G91 R92 T93V85-N89 PolarHBondContact O-N 2.9Å; K86-N89 PolarHBondContact O-N 3.31Å; N89-G91 VanDerWaalsContact C-N 3.29Å; N89-G91 PolarHBondContact O-N 3.38Å; N89-R92 PolarHBondContact O-N 3.5Å; N89-T93 PolarHBondContact O-N 3.24Å
90V70.1Confident65.6Low76 Ų76129.3 Ų129.346%0.46161%0.607SS.*Hα-helixtrans-66.2-32.1174.4177.20000111.9K86 T93 K94K86-V90 VanDerWaalsContact O-CG2 3.3Å; K86-V90 WeakPolarHBondContact O-CG2 3.09Å; K86-V90 PolarHBondContact O-N 3.47Å; K86-V90 VanDerWaalsContact O-N 3.09Å; V90-T93 PolarHBondContact O-OG1 2.83Å; V90-K94 PolarHBondContact O-N 2.92Å
91G58.8Low63.3Low38 Ų38132.5 Ų132.539%0.39262%0.621SS.*Hα-helixtrans-67.9-37.4174.800000113.1K87 K88 N89 K94 K95K87-G91 PolarHBondContact O-N 3.21Å; K88-G91 PolarHBondContact O-N 3.34Å; N89-G91 VanDerWaalsContact C-N 3.29Å; N89-G91 PolarHBondContact O-N 3.38Å; G91-K94 PolarHBondContact O-N 3.16Å; G91-K95 WeakPolarHBondContact O-CB 3.36Å; G91-K95 PolarHBondContact O-N 2.72Å
92R56.2Low61.4Low174 Ų174135.1 Ų135.166%0.65765%0.65SS**Hα-helixtrans-66.6-36.3178.3-91.6-176.5150.6178-4.9112.5K88 N89K88-R92 PolarHBondContact O-N 3.49Å; N89-R92 PolarHBondContact O-N 3.5Å
93T56.5Low59.2Low108 Ų108133.6 Ų133.666%0.66366%0.66SS**Hα-helixtrans-69.4-35.1176.755.50000112.3N89 V90N89-T93 PolarHBondContact O-N 3.24Å; V90-T93 PolarHBondContact O-OG1 2.83Å
94K54.7Low56.9Low157 Ų157137.1 Ų137.168%0.68368%0.676SS**Hα-helixtrans-78.6-27.1176.3-73.3-169.1175.4-1750114.7V90 G91 K96 S97V90-K94 PolarHBondContact O-N 2.92Å; G91-K94 PolarHBondContact O-N 3.16Å; K94-K96 PolarHBondContact O-N 3.38Å; K94-S97 PolarHBondContact O-N 2.9Å; K94-S97 PolarHBondContact O-OG 2.86Å
95K51.3Low54.9Low172 Ų172141.8 Ų141.875%0.74869%0.694SS**THydrogen-bonded Turntrans-76-8.2-175.2-134.5177-174.41790114.4G91 S97G91-K95 WeakPolarHBondContact O-CB 3.36Å; G91-K95 PolarHBondContact O-N 2.72Å; K95-S97 VanDerWaalsContact C-N 3.26Å; K95-S97 PolarHBondContact O-N 3.19Å
96K50.8Low53.2Low203 Ų203148.9 Ų148.988%0.88372%0.722SS**THydrogen-bonded Turntrans-72.2-16.5174-120.4-179.5-178.8-179.50113.3K94K94-K96 PolarHBondContact O-N 3.38Å
97S48.5Very low51.1Low98 Ų98147.4 Ų147.469%0.68573%0.725SS**SBendtrans-105.2-3.8-176.9600000116.2K94 K95K94-S97 PolarHBondContact O-N 2.9Å; K94-S97 PolarHBondContact O-OG 2.86Å; K95-S97 VanDerWaalsContact C-N 3.26Å; K95-S97 PolarHBondContact O-N 3.19Å
98Q46.8Very low49.2Very low171 Ų171151.5 Ų151.580%0.79974%0.737SS**  trans-13464.6-178.9-68.1-167.9-15.200112.8
99K38.6Very low47.4Very low198 Ų198154.8 Ų154.886%0.86175%0.751SS**  trans-98.979.8161.8-170.8-178-178.2-177.60108.6
100K39.2Very low46.1Very low190 Ų190158 Ų15883%0.82677%0.768SS**  trans-169.8129.6156.2-112.2172.4-176-179.70111.2
101K40.9Very low44.7Very low212 Ų212160.2 Ų160.292%0.92278%0.777SS**  trans71.5133.2170.8-55.3179.9176.5-178.30114.2
102G40.4Very low44.1Very low75 Ų75164.3 Ų164.377%0.77380%0.797SS**  cis171.6137.76.800000105.7
103T39.1Very low43.7Very low145 Ų145164.3 Ų164.389%0.8980%0.802SS**  trans-51133.6178.337.70000114.3
104K39.3Very low43.3Very low202 Ų202167.2 Ų167.288%0.87881%0.808SS**  trans-150104.2145-143.8167.9-174.2171.30111.8
105K37.8Very low43.2Very low192 Ų192164 Ų16484%0.83581%0.805SS**  trans-68.2121.8172.9-164177.7-175.4-179.70108.2
106K41Very low43.5Very low196 Ų196163.3 Ų163.385%0.85280%0.802SS**  trans-118.1103.2165-87.7-171.1176-177.20108.4
107T39.8Very low43.5Very low121 Ų121159 Ų15974%0.74279%0.788SS**  trans-72123.1163.940.10000108.8
108R39Very low43.9Very low249 Ų249159.8 Ų159.894%0.9478%0.784SS**  trans-114.3115.1159.3-85.9-172.9166.3-175.5-5.4107.4
109K38.3Very low44.9Very low186 Ų186155.9 Ų155.981%0.80977%0.769SS**  trans-73.8147.9159.1-79.5177.9167.1-179.60108.2
110D41.6Very low46.1Very low155 Ų155151.4 Ų151.483%0.82975%0.754SS**  trans153.1117.4133.7-69.2-23.6000109.2
111D39.4Very low47.7Very low123 Ų123146.5 Ų146.566%0.65874%0.74SS**  trans-67.8165.1-178.3-68.4-76.4000112.4
112P46.4Very low49.2Very low124 Ų124142.1 Ų142.181%0.80572%0.721SS**  -135.7115.981.223.3-2000113.2Q114P112-Q114 PolarHBondContact O-N 2.96Å
113K47.6Very low50.2Low174 Ų174143.1 Ų143.176%0.75771%0.707SS**THydrogen-bonded Turntrans-70.198163.7-74.8168.4176.1168.60110.1
114Q49Very low51.6Low169 Ų169143.3 Ų143.379%0.7970%0.696SS**THydrogen-bonded Turntrans-147.9-18.4155.4-86.5-157.7-26.700114.5P112P112-Q114 PolarHBondContact O-N 2.96Å
115S52Low53.2Low88 Ų88140.9 Ų140.962%0.61569%0.685SS**Hα-helixtrans-80.4-24.4-178.148.60000114.6
116K57.2Low54.4Low158 Ų158136.9 Ų136.969%0.68767%0.672SS**Hα-helixtrans-78.1-34.4-173.8-67-179.1-178174.70113.5D119 L120K116-D119 PolarHBondContact O-N 3.37Å; K116-L120 HydrophobicContact CB-CD1 4.48Å; K116-L120 WeakPolarHBondContact O-CD1 3.48Å; K116-L120 PolarHBondContact O-N 2.81Å
117D51.4Low55.2Low112 Ų112131.6 Ų131.660%0.59966%0.656SS**Hα-helixtrans-71.8-35.6-176.9-69.9-27.1000112D119 L120 V121D117-D119 VanDerWaalsContact C-N 3.29Å; D117-D119 PolarHBondContact O-N 3.23Å; D117-L120 PolarHBondContact O-N 3.49Å; D117-V121 WeakPolarHBondContact O-CG2 3.41Å; D117-V121 PolarHBondContact O-N 3.47Å
118L56.8Low56.2Low115 Ų115132.7 Ų132.760%0.60265%0.652SS**Hα-helixtrans-65.7-35.4176.2-132.2122000111.7K122L118-K122 WeakPolarHBondContact O-CG 3.5Å; L118-K122 PolarHBondContact O-N 2.85Å
119D67.8Low57Low90 Ų90124.8 Ų124.848%0.48164%0.641SS.*Hα-helixtrans-71.7-41.9172.2-83.5-13000111.7K116 D117 V121 K122 I123K116-D119 PolarHBondContact O-N 3.37Å; D117-D119 VanDerWaalsContact C-N 3.29Å; D117-D119 PolarHBondContact O-N 3.23Å; D119-V121 VanDerWaalsContact C-N 3.32Å; D119-V121 PolarHBondContact O-N 3.37Å; D119-K122 PolarHBondContact O-N 3.39Å; D119-I123 HydrophobicContact CB-CD1 4.36Å; D119-I123 VanDerWaalsContact O-CB 3.29Å; D119-I123 WeakPolarHBondContact O-CB 3.26Å; D119-I123 WeakPolarHBondContact O-CD1 3.37Å; D119-I123 WeakPolarHBondContact O-CG1 3.33Å; D119-I123 PolarHBondContact O-N 3.23Å
120L64.6Low57.7Low103 Ų103120 Ų12054%0.53963%0.627SS.*Hα-helixtrans-61.7-38.6176.6-96.787.1000112.4K116 D117 I123 K124K116-L120 HydrophobicContact CB-CD1 4.48Å; K116-L120 WeakPolarHBondContact O-CD1 3.48Å; K116-L120 PolarHBondContact O-N 2.81Å; D117-L120 PolarHBondContact O-N 3.49Å; L120-I123 PolarHBondContact O-N 2.84Å; L120-K124 WeakPolarHBondContact O-CB 3.26Å; L120-K124 PolarHBondContact O-N 3.49Å
121V73.1Confident58.2Low88 Ų88121 Ų12153%0.53362%0.624SS.*Hα-helixtrans-67.7-42.2176.8173.70000111.1D117 D119 K124 K125D117-V121 WeakPolarHBondContact O-CG2 3.41Å; D117-V121 PolarHBondContact O-N 3.47Å; D119-V121 VanDerWaalsContact C-N 3.32Å; D119-V121 PolarHBondContact O-N 3.37Å; V121-K124 PolarHBondContact O-N 3.03Å; V121-K125 PolarHBondContact O-N 2.94Å
122K72.4Confident58.8Low119 Ų119119.6 Ų119.652%0.51762%0.622SS.*Hα-helixtrans-64.3-43.6174.6-75.3175.1-178.5173.30111.5L118 D119 K125 I126L118-K122 WeakPolarHBondContact O-CG 3.5Å; L118-K122 PolarHBondContact O-N 2.85Å; D119-K122 PolarHBondContact O-N 3.39Å; K122-K125 PolarHBondContact O-N 3.27Å; K122-I126 VanDerWaalsContact O-CG1 3.28Å; K122-I126 WeakPolarHBondContact O-CG1 3.48Å; K122-I126 PolarHBondContact O-N 2.96Å
123I61Low59.3Low96 Ų96119.3 Ų119.349%0.49261%0.614SS.*Hα-helixtrans-62.8-46.5176.9-67.9162.8000109.9D119 L120 K125 I126 V127D119-I123 HydrophobicContact CB-CD1 4.36Å; D119-I123 VanDerWaalsContact O-CB 3.29Å; D119-I123 WeakPolarHBondContact O-CB 3.26Å; D119-I123 WeakPolarHBondContact O-CD1 3.37Å; D119-I123 WeakPolarHBondContact O-CG1 3.33Å; D119-I123 PolarHBondContact O-N 3.23Å; L120-I123 PolarHBondContact O-N 2.84Å; I123-K125 PolarHBondContact O-N 3.3Å; I123-I126 PolarHBondContact O-N 3.48Å; I123-V127 HydrophobicContact CG2-CG2 4.2Å; I123-V127 WeakPolarHBondContact O-CB 3.38Å; I123-V127 VanDerWaalsContact O-CG2 3.24Å; I123-V127 WeakPolarHBondContact O-CG2 3.21Å; I123-V127 PolarHBondContact O-N 3.21Å
124K68.5Low60Low150 Ų150118.9 Ų118.965%0.65261%0.614SS**Hα-helixtrans-57.9-46175.4-95.4-173172.1-174.40112.2L120 V121 I126 V127 E128L120-K124 WeakPolarHBondContact O-CB 3.26Å; L120-K124 PolarHBondContact O-N 3.49Å; V121-K124 PolarHBondContact O-N 3.03Å; K124-I126 PolarHBondContact O-N 3.32Å; K124-V127 PolarHBondContact O-N 3.12Å; K124-E128 WeakPolarHBondContact O-CB 3.48Å; K124-E128 PolarHBondContact O-N 3Å
125K71.6Confident60.8Low150 Ų150119.1 Ų119.165%0.65261%0.612SS**Hα-helixtrans-62.2-40.5176.8-86.9-173.2175.4-179.60112.7V121 K122 I123 A129V121-K125 PolarHBondContact O-N 2.94Å; K122-K125 PolarHBondContact O-N 3.27Å; I123-K125 PolarHBondContact O-N 3.3Å; K125-A129 WeakPolarHBondContact O-CB 3.41Å; K125-A129 PolarHBondContact O-N 3.4Å
126I63.4Low61.1Low108 Ų108117 Ų11755%0.55460%0.6SS**Hα-helixtrans-65.3-45.3176.5-67.9164.2000109.8K122 I123 K124 A129 T130K122-I126 VanDerWaalsContact O-CG1 3.28Å; K122-I126 WeakPolarHBondContact O-CG1 3.48Å; K122-I126 PolarHBondContact O-N 2.96Å; I123-I126 PolarHBondContact O-N 3.48Å; K124-I126 PolarHBondContact O-N 3.32Å; I126-A129 PolarHBondContact O-N 3.36Å; I126-T130 PolarHBondContact O-N 3.09Å; I126-T130 PolarHBondContact O-OG1 3.47Å
127V58.8Low61.5Low86 Ų86111.4 Ų111.452%0.52158%0.579SS.*Hα-helixtrans-63.4-43.5179.6171.80000111.7I123 K124 A129 T130I123-V127 HydrophobicContact CG2-CG2 4.2Å; I123-V127 WeakPolarHBondContact O-CB 3.38Å; I123-V127 VanDerWaalsContact O-CG2 3.24Å; I123-V127 WeakPolarHBondContact O-CG2 3.21Å; I123-V127 PolarHBondContact O-N 3.21Å; K124-V127 PolarHBondContact O-N 3.12Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-T130 WeakPolarHBondContact CA-OG1 3.27Å; V127-T130 CarbonylContact O-C 3.54Å; V127-T130 VanDerWaalsContact O-C 3.28Å; V127-T130 PolarHBondContact O-N 3.17Å; V127-T130 PolarHBondContact O-OG1 3.29Å
128E59.7Low62.6Low143 Ų143109.6 Ų109.667%0.66857%0.57SS**Hα-helixtrans-67.7-32.8175.2-80.4-177.116900112.8K124 K131K124-E128 WeakPolarHBondContact O-CB 3.48Å; K124-E128 PolarHBondContact O-N 3Å; E128-K131 WeakPolarHBondContact O-CG 3.34Å
129A57.4Low63.6Low84 Ų84110.7 Ų110.769%0.69457%0.57SS**Hα-helixtrans-73.4-32.3175.100000111.9K125 I126 V127 K131K125-A129 WeakPolarHBondContact O-CB 3.41Å; K125-A129 PolarHBondContact O-N 3.4Å; I126-A129 PolarHBondContact O-N 3.36Å; V127-A129 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 2.97Å
130T53Low63.8Low86 Ų86109.1 Ų109.153%0.52856%0.561SS.*  trans-8859.2169.756.70000110.1I126 V127 P132I126-T130 PolarHBondContact O-N 3.09Å; I126-T130 PolarHBondContact O-OG1 3.47Å; V127-T130 WeakPolarHBondContact CA-OG1 3.27Å; V127-T130 CarbonylContact O-C 3.54Å; V127-T130 VanDerWaalsContact O-C 3.28Å; V127-T130 PolarHBondContact O-N 3.17Å; V127-T130 PolarHBondContact O-OG1 3.29Å; T130-P132 WeakPolarHBondContact O-CD 2.95Å
131K50.4Low64.4Low175 Ų175110.3 Ų110.376%0.76156%0.563SS**PPolyproline II helixtrans-55.5117.1158-72.1-172-180-178.80105.9E128 A129 D133E128-K131 WeakPolarHBondContact O-CG 3.34Å; A129-K131 PolarHBondContact O-N 2.97Å; K131-D133 PolarHBondContact O-N 3.1Å
132P53.5Low64.7Low93 Ų93113.3 Ų113.360%0.60457%0.565SS**PPolyproline II helixtrans-65.6118.5-174.831.6-36.6000105.8T130 E134 T137T130-P132 WeakPolarHBondContact O-CD 2.95Å; P132-E134 PolarHBondContact O-N 3.14Å; P132-E134 VanDerWaalsContact O-N 3.09Å; P132-T137 HydrophobicContact CB-CG2 3.44Å; P132-T137 VanDerWaalsContact CB-CG2 3.44Å; P132-T137 HydrophobicContact CG-CG2 3.72Å
133D55.9Low65Low119 Ų119111.4 Ų111.464%0.63656%0.561SS**PPolyproline II helixtrans-50.9121.6-178.2-154.6-4.7000107.1K131 K135 A136 T137K131-D133 PolarHBondContact O-N 3.1Å; D133-K135 PolarHBondContact O-N 3.46Å; D133-A136 HydrophobicContact CB-CB 4.08Å; D133-A136 WeakPolarHBondContact O-CA 3.49Å; D133-A136 WeakPolarHBondContact O-CB 3.45Å; D133-A136 PolarHBondContact O-N 2.71Å; D133-T137 PolarHBondContact O-N 3.39Å
134E61.8Low65.8Low164 Ų164112 Ų11277%0.76656%0.557SS**Hα-helixtrans-53.4-35-169-79.8179.3151.300110.9P132 T137 D138P132-E134 PolarHBondContact O-N 3.14Å; P132-E134 VanDerWaalsContact O-N 3.09Å; E134-T137 PolarHBondContact O-N 3.4Å; E134-T137 PolarHBondContact O-OG1 2.87Å; E134-D138 PolarHBondContact O-N 2.92Å
135K65.7Low66.4Low174 Ų174110.5 Ų110.576%0.75756%0.555SS**Hα-helixtrans-65.9-36.9175.3-62-176178.9-179.50113.5D133 K139D133-K135 PolarHBondContact O-N 3.46Å; K135-K139 PolarHBondContact O-N 3.49Å; K135-K139 VanDerWaalsContact O-N 3.14Å
136A59.2Low66.9Low44 Ų44106.3 Ų106.336%0.36455%0.549SS..Hα-helixtrans-68.4-41.4173.900000110.4D133 D138 K139 I140D133-A136 HydrophobicContact CB-CB 4.08Å; D133-A136 WeakPolarHBondContact O-CA 3.49Å; D133-A136 WeakPolarHBondContact O-CB 3.45Å; D133-A136 PolarHBondContact O-N 2.71Å; A136-D138 PolarHBondContact O-N 3.35Å; A136-K139 PolarHBondContact O-N 3.12Å; A136-I140 WeakPolarHBondContact O-CB 3.24Å; A136-I140 WeakPolarHBondContact O-CD1 3.16Å; A136-I140 WeakPolarHBondContact O-CG1 3.44Å; A136-I140 PolarHBondContact O-N 2.95Å
137T64.7Low67.9Low40 Ų40105.4 Ų105.425%0.24554%0.538CS..Hα-helixtrans-62.3-41.9176.164.50000112.2P132 D133 E134 K139 I140 Q141P132-T137 HydrophobicContact CB-CG2 3.44Å; P132-T137 VanDerWaalsContact CB-CG2 3.44Å; P132-T137 HydrophobicContact CG-CG2 3.72Å; D133-T137 PolarHBondContact O-N 3.39Å; E134-T137 PolarHBondContact O-N 3.4Å; E134-T137 PolarHBondContact O-OG1 2.87Å; T137-K139 PolarHBondContact O-N 2.92Å; T137-I140 PolarHBondContact O-N 3.41Å; T137-Q141 WeakPolarHBondContact O-CB 3.43Å; T137-Q141 VanDerWaalsContact O-CG 3.26Å; T137-Q141 WeakPolarHBondContact O-CG 3.31Å; T137-Q141 PolarHBondContact O-N 2.91Å
138D76.3Confident69.1Low74 Ų74105 Ų10540%0.39653%0.533SS..Hα-helixtrans-64.2-42.3178.3-176.336.1000111.3E134 A136 I140 Q141 R142E134-D138 PolarHBondContact O-N 2.92Å; A136-D138 PolarHBondContact O-N 3.35Å; D138-I140 PolarHBondContact O-N 2.91Å; D138-Q141 PolarHBondContact O-N 3.34Å; D138-R142 VanDerWaalsContact O-CB 3.27Å; D138-R142 WeakPolarHBondContact O-CB 3.48Å; D138-R142 PolarHBondContact O-N 2.92Å; D138-R142 IonicContact OD1-NH2 3.36Å; D138-R142 PolarHBondContact OD1-NH2 3.02Å; D138-R142 IonicContact OD2-CZ 3.71Å; D138-R142 IonicContact OD2-NH2 2.71Å; D138-R142 PolarHBondContact OD2-NH2 3.43Å
139K77.5Confident70.1Confident139 Ų139101.4 Ų101.460%0.60452%0.521SS*.Hα-helixtrans-64.4-41.1175-168.1174.9-177.4-178.10112.3K135 A136 T137 R142 N143K135-K139 PolarHBondContact O-N 3.49Å; K135-K139 VanDerWaalsContact O-N 3.14Å; A136-K139 PolarHBondContact O-N 3.12Å; T137-K139 PolarHBondContact O-N 2.92Å; K139-R142 PolarHBondContact O-N 3.11Å; K139-N143 WeakPolarHBondContact O-CB 3.2Å; K139-N143 VanDerWaalsContact O-CG 3.3Å; K139-N143 PolarHBondContact O-N 3.2Å
140I71.7Confident71.5Confident56 Ų5699.2 Ų99.229%0.28751%0.507SS..Hα-helixtrans-64.4-46.2176.8-69.1161.7000110.3H58 A136 T137 D138 R142 N143 R144H58-I140 HydrophobicContact CB-CD1 4.42Å; A136-I140 WeakPolarHBondContact O-CB 3.24Å; A136-I140 WeakPolarHBondContact O-CD1 3.16Å; A136-I140 WeakPolarHBondContact O-CG1 3.44Å; A136-I140 PolarHBondContact O-N 2.95Å; T137-I140 PolarHBondContact O-N 3.41Å; D138-I140 PolarHBondContact O-N 2.91Å; I140-R142 PolarHBondContact O-N 3.35Å; I140-N143 PolarHBondContact O-N 2.94Å; I140-R144 WeakPolarHBondContact O-CB 3.35Å; I140-R144 PolarHBondContact O-N 2.78Å
141Q76.4Confident72.8Confident128 Ų12896.9 Ų96.960%0.59849%0.491SS*.Hα-helixtrans-62.9-41.9177.7-74.1179.1500111.6T137 D138 R144 L145T137-Q141 WeakPolarHBondContact O-CB 3.43Å; T137-Q141 VanDerWaalsContact O-CG 3.26Å; T137-Q141 WeakPolarHBondContact O-CG 3.31Å; T137-Q141 PolarHBondContact O-N 2.91Å; D138-Q141 PolarHBondContact O-N 3.34Å; Q141-R144 PolarHBondContact O-N 3.47Å; Q141-L145 WeakPolarHBondContact O-CB 3.28Å; Q141-L145 PolarHBondContact O-N 2.81Å
142R79.5Confident74.4Confident151 Ų15197.4 Ų97.457%0.5749%0.488SS*.Hα-helixtrans-63.4-43.7176.2-166.4177-63.3141.311.7111.9D138 K139 I140 L145 A146D138-R142 VanDerWaalsContact O-CB 3.27Å; D138-R142 WeakPolarHBondContact O-CB 3.48Å; D138-R142 PolarHBondContact O-N 2.92Å; D138-R142 IonicContact OD1-NH2 3.36Å; D138-R142 PolarHBondContact OD1-NH2 3.02Å; D138-R142 IonicContact OD2-CZ 3.71Å; D138-R142 IonicContact OD2-NH2 2.71Å; D138-R142 PolarHBondContact OD2-NH2 3.43Å; K139-R142 PolarHBondContact O-N 3.11Å; I140-R142 PolarHBondContact O-N 3.35Å; R142-L145 PolarHBondContact O-N 3.49Å; R142-A146 WeakPolarHBondContact O-CB 3.18Å; R142-A146 PolarHBondContact O-N 3.43Å
143N79.1Confident75.7Confident79 Ų7998.9 Ų98.942%0.42249%0.488SS..Hα-helixtrans-64.4-43.9175.7-76-5.4000111.7K139 I140 L145 A146 W147K139-N143 WeakPolarHBondContact O-CB 3.2Å; K139-N143 VanDerWaalsContact O-CG 3.3Å; K139-N143 PolarHBondContact O-N 3.2Å; I140-N143 PolarHBondContact O-N 2.94Å; N143-L145 VanDerWaalsContact C-N 3.34Å; N143-L145 PolarHBondContact O-N 2.85Å; N143-A146 PolarHBondContact O-N 3.24Å; N143-W147 WeakPolarHBondContact O-CB 3.29Å; N143-W147 PolarHBondContact O-N 3.35Å
144R77.6Confident76.8Confident110 Ų11098.2 Ų98.242%0.41548%0.484SS..Hα-helixtrans-59.5-44.9175.5-173.3176.4-179.2162.44.2111.3F54 D55 I140 Q141 W147 L148F54-R144 HydrophobicContact CE1-CB 4.06Å; F54-R144 HydrophobicContact CE1-CG 4.26Å; F54-R144 HydrophobicContact CZ-CB 4.45Å; D55-R144 IonicContact OD1-NH1 3.9Å; I140-R144 WeakPolarHBondContact O-CB 3.35Å; I140-R144 PolarHBondContact O-N 2.78Å; Q141-R144 PolarHBondContact O-N 3.47Å; R144-W147 PolarHBondContact O-N 3.07Å; R144-L148 HydrophobicContact CG-CD1 4.11Å; R144-L148 WeakPolarHBondContact O-CB 3.49Å; R144-L148 VanDerWaalsContact O-CG 3.29Å; R144-L148 WeakPolarHBondContact O-CG 3.45Å; R144-L148 PolarHBondContact O-N 3.44Å
145L80.5Confident77.5Confident117 Ų11794.5 Ų94.561%0.61347%0.469SS*.Hα-helixtrans-66-42.7178.6-17463.9000112Q141 R142 N143 W147 T149Q141-L145 WeakPolarHBondContact O-CB 3.28Å; Q141-L145 PolarHBondContact O-N 2.81Å; R142-L145 PolarHBondContact O-N 3.49Å; N143-L145 VanDerWaalsContact C-N 3.34Å; N143-L145 PolarHBondContact O-N 2.85Å; L145-W147 VanDerWaalsContact C-N 3.34Å; L145-W147 PolarHBondContact O-N 2.93Å; L145-T149 VanDerWaalsContact O-CB 3.31Å; L145-T149 WeakPolarHBondContact O-CB 3.1Å; L145-T149 PolarHBondContact O-N 3.02Å; L145-T149 PolarHBondContact O-OG1 3.33Å
146A83.1Confident78Confident63 Ų6391.7 Ų91.752%0.52146%0.458SS..Hα-helixtrans-61.5-42.9175.800000111.6R142 N143 T149 G150R142-A146 WeakPolarHBondContact O-CB 3.18Å; R142-A146 PolarHBondContact O-N 3.43Å; N143-A146 PolarHBondContact O-N 3.24Å; A146-T149 PolarHBondContact O-N 2.67Å; A146-G150 PolarHBondContact O-N 2.88Å
147W83.2Confident78.8Confident88 Ų8895.5 Ų95.533%0.33347%0.467SS..Hα-helixtrans-66.8-47.1178.3-175.780.9000112.5H50 T51 N143 R144 L145 T149 G150 I151H50-W147 HydrophobicContact CB-CH2 4.24Å; H50-W147 HydrophobicContact CB-CZ2 4.49Å; T51-W147 HydrophobicContact CG2-CZ3 4.33Å; N143-W147 WeakPolarHBondContact O-CB 3.29Å; N143-W147 PolarHBondContact O-N 3.35Å; R144-W147 PolarHBondContact O-N 3.07Å; L145-W147 VanDerWaalsContact C-N 3.34Å; L145-W147 PolarHBondContact O-N 2.93Å; W147-T149 VanDerWaalsContact C-N 3.26Å; W147-T149 PolarHBondContact O-N 3.34Å; W147-G150 PolarHBondContact O-N 3.06Å; W147-G150 VanDerWaalsContact O-N 3.12Å; W147-I151 HydrophobicContact CD2-CD1 3.59Å; W147-I151 VanDerWaalsContact CE2-CD1 3.41Å; W147-I151 HydrophobicContact CE3-CD1 3.57Å; W147-I151 HydrophobicContact CH2-CD1 3.24Å; W147-I151 HydrophobicContact CZ2-CD1 3.27Å; W147-I151 HydrophobicContact CZ2-CG1 4.47Å; W147-I151 HydrophobicContact CZ3-CD1 3.38Å; W147-I151 PolarHBondContact O-N 2.95Å
148L84.2Confident79Confident78 Ų7898 Ų9841%0.40848%0.476SS..Hα-helixtrans-60.1-37.8174.9-72.4173.8000111.8R144 I151 R152R144-L148 HydrophobicContact CG-CD1 4.11Å; R144-L148 WeakPolarHBondContact O-CB 3.49Å; R144-L148 VanDerWaalsContact O-CG 3.29Å; R144-L148 WeakPolarHBondContact O-CG 3.45Å; R144-L148 PolarHBondContact O-N 3.44Å; L148-I151 PolarHBondContact O-N 3.37Å; L148-R152 WeakPolarHBondContact O-CB 3.37Å; L148-R152 PolarHBondContact O-N 3.35Å
149T82.3Confident78.6Confident67 Ų67102 Ų10241%0.41149%0.49SS..Hα-helixtrans-65.4-43.5174.7-570000111.2L145 A146 W147 I151 R152 M153L145-T149 VanDerWaalsContact O-CB 3.31Å; L145-T149 WeakPolarHBondContact O-CB 3.1Å; L145-T149 PolarHBondContact O-N 3.02Å; L145-T149 PolarHBondContact O-OG1 3.33Å; A146-T149 PolarHBondContact O-N 2.67Å; W147-T149 VanDerWaalsContact C-N 3.26Å; W147-T149 PolarHBondContact O-N 3.34Å; T149-I151 PolarHBondContact O-N 2.94Å; T149-R152 PolarHBondContact O-N 3.42Å; T149-M153 WeakPolarHBondContact O-CG 3.38Å; T149-M153 PolarHBondContact O-N 3.39Å
150G85.3Confident77.8Confident39 Ų3999.7 Ų99.740%0.40248%0.484SS..Hα-helixtrans-59.4-43.7175.500000112.9A146 W147 M153 L154A146-G150 PolarHBondContact O-N 2.88Å; W147-G150 PolarHBondContact O-N 3.06Å; W147-G150 VanDerWaalsContact O-N 3.12Å; G150-M153 PolarHBondContact O-N 3.49Å; G150-L154 PolarHBondContact O-N 3.47Å
151I81.3Confident77.1Confident37 Ų37102.9 Ų102.919%0.1950%0.498CS..Hα-helixtrans-64.1-44.4174.9-71166.5000111.2L47 W147 L148 T149 M153 L154 L155L47-I151 HydrophobicContact CD1-CD1 4.15Å; L47-I151 HydrophobicContact CD1-CG2 4.38Å; W147-I151 HydrophobicContact CD2-CD1 3.59Å; W147-I151 VanDerWaalsContact CE2-CD1 3.41Å; W147-I151 HydrophobicContact CE3-CD1 3.57Å; W147-I151 HydrophobicContact CH2-CD1 3.24Å; W147-I151 HydrophobicContact CZ2-CD1 3.27Å; W147-I151 HydrophobicContact CZ2-CG1 4.47Å; W147-I151 HydrophobicContact CZ3-CD1 3.38Å; W147-I151 PolarHBondContact O-N 2.95Å; L148-I151 PolarHBondContact O-N 3.37Å; T149-I151 PolarHBondContact O-N 2.94Å; I151-M153 VanDerWaalsContact C-N 3.28Å; I151-M153 PolarHBondContact O-N 2.85Å; I151-L154 PolarHBondContact O-N 2.93Å; I151-L154 VanDerWaalsContact O-N 3.16Å; I151-L155 HydrophobicContact CG2-CD1 3.75Å; I151-L155 HydrophobicContact CG2-CG 4.3Å; I151-L155 WeakPolarHBondContact O-CB 3.4Å; I151-L155 WeakPolarHBondContact O-CG 3.41Å; I151-L155 PolarHBondContact O-N 3.47Å
152R83.7Confident76Confident185 Ų185105.4 Ų105.470%0.69851%0.509SS*.Hα-helixtrans-58.8-42.4176.4-179.8-178.6-80.3177-5.3111.2L148 T149 L155 Q156L148-R152 WeakPolarHBondContact O-CB 3.37Å; L148-R152 PolarHBondContact O-N 3.35Å; T149-R152 PolarHBondContact O-N 3.42Å; R152-L155 PolarHBondContact O-N 2.97Å; R152-Q156 VanDerWaalsContact O-CB 3.27Å; R152-Q156 WeakPolarHBondContact O-CB 3.45Å; R152-Q156 PolarHBondContact O-N 3.48Å
153M80.8Confident74.4Confident124 Ų124101 Ų10161%0.61151%0.511SS*.Hα-helixtrans-64.4-40.6175.7-73.5-173.868.600112.2T149 G150 I151 Q156 K157T149-M153 WeakPolarHBondContact O-CG 3.38Å; T149-M153 PolarHBondContact O-N 3.39Å; G150-M153 PolarHBondContact O-N 3.49Å; I151-M153 VanDerWaalsContact C-N 3.28Å; I151-M153 PolarHBondContact O-N 2.85Å; M153-Q156 PolarHBondContact O-N 3.46Å; M153-K157 WeakPolarHBondContact O-CB 3.38Å; M153-K157 PolarHBondContact O-N 2.94Å
154L79.1Confident72.7Confident105 Ų105101.3 Ų101.355%0.5552%0.516SS..Hα-helixtrans-65.2-45177.4-171.566.7000111.5G150 I151 Q156 K157 Q158G150-L154 PolarHBondContact O-N 3.47Å; I151-L154 PolarHBondContact O-N 2.93Å; I151-L154 VanDerWaalsContact O-N 3.16Å; L154-Q156 VanDerWaalsContact C-N 3.34Å; L154-Q156 PolarHBondContact O-N 3.37Å; L154-K157 WeakPolarHBondContact O-CB 3.49Å; L154-K157 PolarHBondContact O-N 2.86Å; L154-Q158 WeakPolarHBondContact O-CG 3.39Å; L154-Q158 PolarHBondContact O-N 3.48Å
155L76.7Confident70.8Confident87 Ų87101.7 Ų101.746%0.45554%0.536SS..Hα-helixtrans-63.2-39.5174.6-76.3167.1000111.8I151 R152 K157 Q158 K159I151-L155 HydrophobicContact CG2-CD1 3.75Å; I151-L155 HydrophobicContact CG2-CG 4.3Å; I151-L155 WeakPolarHBondContact O-CB 3.4Å; I151-L155 WeakPolarHBondContact O-CG 3.41Å; I151-L155 PolarHBondContact O-N 3.47Å; R152-L155 PolarHBondContact O-N 2.97Å; L155-K157 VanDerWaalsContact C-N 3.34Å; L155-Q158 PolarHBondContact O-N 3.33Å; L155-K159 WeakPolarHBondContact O-CB 3.48Å; L155-K159 PolarHBondContact O-N 2.95Å
156Q75Confident68.9Low114 Ų11499.9 Ų99.953%0.53354%0.537SS..Hα-helixtrans-66.5-38.2175-169.7171.116.600111.3R152 M153 L154 K159 N160R152-Q156 VanDerWaalsContact O-CB 3.27Å; R152-Q156 WeakPolarHBondContact O-CB 3.45Å; R152-Q156 PolarHBondContact O-N 3.48Å; M153-Q156 PolarHBondContact O-N 3.46Å; L154-Q156 VanDerWaalsContact C-N 3.34Å; L154-Q156 PolarHBondContact O-N 3.37Å; Q156-K159 PolarHBondContact O-N 2.82Å; Q156-N160 WeakPolarHBondContact O-CB 3.21Å; Q156-N160 PolarHBondContact O-N 3.27Å; Q156-N160 PolarHBondContact O-ND2 3.16Å
157K76.9Confident66.6Low124 Ų124102.5 Ų102.554%0.53955%0.552SS.*Hα-helixtrans-65.1-42.2173.8-170.8179.2179-175.50111.4M153 L154 L155 N160 Q161M153-K157 WeakPolarHBondContact O-CB 3.38Å; M153-K157 PolarHBondContact O-N 2.94Å; L154-K157 WeakPolarHBondContact O-CB 3.49Å; L154-K157 PolarHBondContact O-N 2.86Å; L155-K157 VanDerWaalsContact C-N 3.34Å; K157-N160 PolarHBondContact O-N 3.47Å; K157-Q161 WeakPolarHBondContact O-CB 3.33Å; K157-Q161 WeakPolarHBondContact O-CG 3.36Å; K157-Q161 PolarHBondContact O-N 3.34Å
158Q68.5Low64.4Low93 Ų93104.9 Ų104.944%0.43557%0.57SS.*Hα-helixtrans-64.3-42.9174.7-76.6-178.7-34.600111.9L154 L155 N160 Q161 Q162L154-Q158 WeakPolarHBondContact O-CG 3.39Å; L154-Q158 PolarHBondContact O-N 3.48Å; L155-Q158 PolarHBondContact O-N 3.33Å; Q158-N160 VanDerWaalsContact C-N 3.3Å; Q158-N160 PolarHBondContact O-N 3.28Å; Q158-Q161 PolarHBondContact O-N 2.85Å; Q158-Q162 PolarHBondContact O-N 2.92Å
159K68.8Low62Low158 Ų158106.4 Ų106.469%0.68758%0.584SS**Hα-helixtrans-61.7-39.5174.4-174.9177.3176.7178.70111.8L155 Q156 Q162 G163L155-K159 WeakPolarHBondContact O-CB 3.48Å; L155-K159 PolarHBondContact O-N 2.95Å; Q156-K159 PolarHBondContact O-N 2.82Å; K159-Q162 PolarHBondContact O-N 3.4Å; K159-G163 PolarHBondContact O-N 2.85Å
160N60.8Low60Low91 Ų91108.1 Ų108.149%0.48761%0.605SS.*Hα-helixtrans-70.7-37.9175.8-70.6-12000111.5Q156 K157 Q158 Q162 G163 T164Q156-N160 WeakPolarHBondContact O-CB 3.21Å; Q156-N160 PolarHBondContact O-N 3.27Å; Q156-N160 PolarHBondContact O-ND2 3.16Å; K157-N160 PolarHBondContact O-N 3.47Å; Q158-N160 VanDerWaalsContact C-N 3.3Å; Q158-N160 PolarHBondContact O-N 3.28Å; N160-Q162 VanDerWaalsContact C-N 3.29Å; N160-Q162 PolarHBondContact O-N 3.28Å; N160-G163 CarbonylContact O-C 3.28Å; N160-G163 PolarHBondContact O-N 3.46Å; N160-T164 WeakPolarHBondContact O-CG2 3.47Å; N160-T164 PolarHBondContact O-N 3.31Å; N160-T164 PolarHBondContact O-OG1 3.35Å
161Q57.3Low57.7Low122 Ų122115.7 Ų115.757%0.5763%0.627SS**Hα-helixtrans-67.7-28174.7-76.3-172.8-7.800112.9K157 Q158 G163K157-Q161 WeakPolarHBondContact O-CB 3.33Å; K157-Q161 WeakPolarHBondContact O-CG 3.36Å; K157-Q161 PolarHBondContact O-N 3.34Å; Q158-Q161 PolarHBondContact O-N 2.85Å; Q161-G163 PolarHBondContact O-N 3.05Å
162Q53.2Low55.7Low181 Ų181123.4 Ų123.485%0.84666%0.662SS**THydrogen-bonded Turntrans-74-13.5169.2-79.3179.2-13.700113.5Q158 K159 N160Q158-Q162 PolarHBondContact O-N 2.92Å; K159-Q162 PolarHBondContact O-N 3.4Å; N160-Q162 VanDerWaalsContact C-N 3.29Å; N160-Q162 PolarHBondContact O-N 3.28Å
163G45.4Very low53.2Low59 Ų59124.1 Ų124.161%0.60867%0.673SS**THydrogen-bonded Turntrans-110.1-17.1177.400000115K159 N160 Q161 S165K159-G163 PolarHBondContact O-N 2.85Å; N160-G163 CarbonylContact O-C 3.28Å; N160-G163 PolarHBondContact O-N 3.46Å; Q161-G163 PolarHBondContact O-N 3.05Å; G163-S165 PolarHBondContact O-N 2.82Å
164T43Very low50.9Low86 Ų86121.7 Ų121.753%0.52868%0.68SS.*  trans-96.685.5174.5570000108N160 A166N160-T164 WeakPolarHBondContact O-CG2 3.47Å; N160-T164 PolarHBondContact O-N 3.31Å; N160-T164 PolarHBondContact O-OG1 3.35Å; T164-A166 PolarHBondContact O-N 3.43Å
165S37.6Very low49.1Very low118 Ų118122.9 Ų122.983%0.82569%0.692SS**  trans-46.297.7142.228.40000106.3G163 S167G163-S165 PolarHBondContact O-N 2.82Å; S165-S167 PolarHBondContact O-N 2.99Å
166A40.8Very low46.9Very low78 Ų78124.6 Ų124.665%0.64571%0.711SS**  trans-58.310917800000106T164 I168T164-A166 PolarHBondContact O-N 3.43Å; A166-I168 PolarHBondContact O-N 3.46Å
167S35.4Very low45.2Very low118 Ų118124.9 Ų124.983%0.82572%0.72SS**  trans-61.390.6160.5173.70000105.7S165S165-S167 PolarHBondContact O-N 2.99Å
168I37.1Very low43.1Very low138 Ų138124.4 Ų124.471%0.70873%0.733SS**  trans-62.3127.8165.2-60.3172.9000105A166 A170A166-I168 PolarHBondContact O-N 3.46Å; I168-A170 PolarHBondContact O-N 3.22Å
169P34.2Very low41.9Very low111 Ų111125.9 Ų125.972%0.72175%0.748SS**  trans-57.9119.3176.823.4-31.4000108.3K171P169-K171 PolarHBondContact O-N 2.78Å
170A39Very low40.2Very low102 Ų102123.4 Ų123.484%0.84375%0.75SS**SBendtrans-58.294.7-179.400000110.4I168I168-A170 PolarHBondContact O-N 3.22Å
171K38.1Very low39.2Very low199 Ų199125 Ų12587%0.86577%0.766SS**  trans-169.966155.7-106.3-178.2-173.1-171.80108.8P169P169-K171 PolarHBondContact O-N 2.78Å
172Q38.5Very low38.4Very low198 Ų198129.3 Ų129.393%0.92578%0.783SS**SBendtrans-161.9122.6148.1-106.9166.518.800107.8
173Q32Very low37.5Very low200 Ų200130.1 Ų130.194%0.93579%0.786SS**  trans-72.1139.7-169.3-72.5157.7-48.600110.9
174G31.9Very low37Very low73 Ų73130.9 Ų130.975%0.75380%0.795SS**  trans84.464132.800000118.8
175T40.4Very low37Very low131 Ų131132.8 Ų132.880%0.80481%0.806SS**  trans-142.4100140.849.50000109V177T175-V177 PolarHBondContact O-N 2.95Å
176S31.6Very low36.8Very low122 Ų122133 Ų13385%0.85381%0.808SS**  trans-77.797.2177.649.30000110S178S176-S178 PolarHBondContact O-N 2.89Å
177V38.6Very low36.7Very low120 Ų120134.6 Ų134.673%0.72781%0.809SS**  trans-87.2101.8165.7-1760000108.2T175 V179T175-V177 PolarHBondContact O-N 2.95Å; V177-V179 HydrophobicContact CG1-CG1 4.45Å; V177-V179 PolarHBondContact O-N 3.48Å; V177-V179 VanDerWaalsContact O-N 3.17Å
178S33.7Very low36.7Very low114 Ų114135.4 Ų135.480%0.79781%0.81SS**  trans-71.298.81741650000110S176S176-S178 PolarHBondContact O-N 2.89Å
179V41.6Very low36.7Very low125 Ų125134.5 Ų134.576%0.75881%0.81SS**  trans-91.6121.9170-82.40000111.1V177V177-V179 HydrophobicContact CG1-CG1 4.45Å; V177-V179 PolarHBondContact O-N 3.48Å; V177-V179 VanDerWaalsContact O-N 3.17Å
180S33.6Very low36.7Very low105 Ų105134.6 Ų134.673%0.73481%0.811SS**  trans-63.2132.2178.5-57.90000112.2K182S180-K182 PolarHBondContact O-N 3.18Å; S180-K182 VanDerWaalsContact O-N 3.14Å
181P40.9Very low36.6Very low126 Ų126134.6 Ų134.682%0.81881%0.811SS**  trans-71.4109.7-176.727.1-32.5000111.1Q183P181-Q183 PolarHBondContact O-N 3.29Å
182K39.3Very low36.5Very low211 Ų211134.7 Ų134.792%0.91781%0.811SS**  trans-69.6111165.6-87.6-178175.7173.90109.2S180S180-K182 PolarHBondContact O-N 3.18Å; S180-K182 VanDerWaalsContact O-N 3.14Å
183Q35.9Very low36.5Very low198 Ų198135 Ų13593%0.92581%0.813SS**SBendtrans-47.7137.7173.5-65.5175.1-23.200112.3P181P181-Q183 PolarHBondContact O-N 3.29Å
184G34.5Very low36.5Very low76 Ų76137.9 Ų137.978%0.78482%0.815SS**  trans128.840.8158.800000116.9
185T42.9Very low36.4Very low126 Ų126138.1 Ų138.177%0.77382%0.817SS**  trans-128.399.5161.141.30000109.4V187T185-V187 PolarHBondContact O-N 3.37Å
186S33.2Very low36.2Very low122 Ų122135.4 Ų135.485%0.85381%0.808SS**  trans-68.299.916766.50000107.8
187V37.6Very low36.2Very low112 Ų112135.5 Ų135.568%0.67981%0.809SS**  trans-92.4112168.6-1790000106.8T185 V189T185-V187 PolarHBondContact O-N 3.37Å; V187-V189 WeakPolarHBondContact O-CG2 3.16Å; V187-V189 PolarHBondContact O-N 2.87Å; V187-V189 VanDerWaalsContact O-N 3.12Å
188T35.6Very low36Very low135 Ų135138.4 Ų138.483%0.82881%0.812SS**  trans-64.5106.2170-55.80000108.4
189V37.6Very low36Very low118 Ų118138.6 Ų138.672%0.71581%0.813SS**  trans-87.2130.5179.3-168.70000109.3V187V187-V189 WeakPolarHBondContact O-CG2 3.16Å; V187-V189 PolarHBondContact O-N 2.87Å; V187-V189 VanDerWaalsContact O-N 3.12Å
190P33.6Very low35.9Very low114 Ų114138.9 Ų138.974%0.7482%0.815SS**  trans-71.5141.5177.528.8-32.5000111.6K192P190-K192 PolarHBondContact O-N 3.26Å
191A38.2Very low35.9Very low102 Ų102138.6 Ų138.684%0.84381%0.813SS**SBendtrans-65.698.9-174.800000112.7
192K36.3Very low35.8Very low201 Ų201138.1 Ų138.187%0.87481%0.81SS**  trans175.468.9149.6-105.4175.6176.5-179.90111.9P190P190-K192 PolarHBondContact O-N 3.26Å
193Q37.5Very low35.6Very low204 Ų204140 Ų14095%0.95381%0.812SS**  trans-141.5100.4149.1-80.1-162.7-32.600109
194R31.3Very low35.4Very low260 Ų260136.8 Ų136.898%0.98181%0.806SS**  trans-88.2121.1174.6-155.7-175.8-166.7-168.73.4105.7
195G30.5Very low35.5Very low78 Ų78139.2 Ų139.280%0.80481%0.81SS**  trans112.472.3166.600000115.8
196A35.3Very low34.9Very low74 Ų74141.7 Ų141.761%0.61281%0.813SS**  trans-160.588147.900000108.2F198A196-F198 HydrophobicContact CB-CD2 4.22Å; A196-F198 HydrophobicContact CB-CE2 3.75Å; A196-F198 PolarHBondContact O-N 3.2Å
197S32.3Very low34.8Very low125 Ų125142.3 Ų142.387%0.87481%0.807SS**  trans-71.4104.6170.337.70000109.1
198F35.4Very low34.5Very low180 Ų180143 Ų14379%0.78981%0.811SS**  trans-97.6110.2164.8-69.6-78.8000108.7A196A196-F198 HydrophobicContact CB-CD2 4.22Å; A196-F198 HydrophobicContact CB-CE2 3.75Å; A196-F198 PolarHBondContact O-N 3.2Å
199S32.2Very low34.3Very low118 Ų118140 Ų14083%0.82580%0.801SS**  trans-75.9116.5168.5168.50000108.4
200V39.5Very low34.1Very low131 Ų131142.3 Ų142.379%0.79481%0.809SS**  trans-109.5116.2171.9-166.10000108
201S33.4Very low34.2Very low99 Ų99140.3 Ų140.369%0.69281%0.809SS**  trans-65.6132.4179.7-62.10000111.7R203S201-R203 PolarHBondContact O-N 2.87Å
202P39.7Very low34.2Very low117 Ų117144.9 Ų144.976%0.7681%0.809SS**  trans-75.4106.5179.229.1-31.7000110.1T204P202-T204 PolarHBondContact O-N 3.37Å
203R34.3Very low34.7Very low251 Ų251141.3 Ų141.395%0.94781%0.807SS**  trans-8196.7169.3-150.8175.8-174.7-134.32.2108.5S201 S205S201-R203 PolarHBondContact O-N 2.87Å; R203-S205 PolarHBondContact O-N 3.18Å
204T33.4Very low35Very low130 Ų130139.5 Ų139.580%0.79880%0.802SS**  trans-63.5112.4166.146.40000109.2P202P202-T204 PolarHBondContact O-N 3.37Å
205S36.8Very low35.4Very low126 Ų126130.1 Ų130.188%0.88179%0.786SS**  trans-138.2119.8149.4-131.30000109.2R203R203-S205 PolarHBondContact O-N 3.18Å
206Q30.4Very low35.9Very low178 Ų178132.7 Ų132.783%0.83279%0.787SS**  trans-63.2143.4-177-90.5-177.4-900112.4
207N29.4Very low36.1Very low136 Ų136133.5 Ų133.573%0.72779%0.793SS**  71.1118.8127.4-147.6-7.1000117.3
208V32.1Very low36.5Very low125 Ų125137 Ų13776%0.75879%0.793SS**  173.4121.3105.8164.70000109.6
209A32.2Very low36.8Very low74 Ų74136.4 Ų136.461%0.61280%0.797SS**  trans65.1111.4146.900000121.9
210N33.5Very low37.3Very low166 Ų166136 Ų13689%0.88879%0.794SS**  60.381.4120.3-64.5-13.7000118.9
211G34.4Very low37.7Very low72 Ų72137.5 Ų137.574%0.74280%0.797SS**  trans-133.591.315100000109.9
212K37.9Very low38Very low197 Ų197143.9 Ų143.986%0.85781%0.806SS**  trans-55.6127.3172.7-74.3176.9178.61790108.9I214K212-I214 PolarHBondContact O-N 2.98Å; K212-I214 VanDerWaalsContact O-N 3.08Å
213P46.6Very low38Very low126 Ų126148.1 Ų148.182%0.81882%0.816SS**  trans-66.2112.6174.825.4-31.1000108.8G215P213-G215 PolarHBondContact O-N 3.23Å
214I43.7Very low38.1Very low166 Ų166139 Ų13985%0.85180%0.8SS**  trans-60.4118.3174.5-69169.1000107.5K212K212-I214 PolarHBondContact O-N 2.98Å; K212-I214 VanDerWaalsContact O-N 3.08Å
215G41Very low38.8Very low63 Ų63138.2 Ų138.265%0.64980%0.799SS**  trans-51.5138.5-174.300000113.2P213 A217P213-G215 PolarHBondContact O-N 3.23Å; G215-A217 PolarHBondContact O-N 2.98Å
216T41.4Very low39.3Very low133 Ų133142.4 Ų142.482%0.81680%0.802SS**  trans-55104.916841.20000109.7K218T216-K218 VanDerWaalsContact C-N 3.32Å; T216-K218 PolarHBondContact O-N 3.43Å
217A37.9Very low40.4Very low91 Ų91141.5 Ų141.575%0.75280%0.798SS**  trans-66.394.9170.100000108.5G215 L219G215-A217 PolarHBondContact O-N 2.98Å; A217-L219 PolarHBondContact O-N 3.44Å
218K40.7Very low41.5Very low197 Ų197142.8 Ų142.886%0.85780%0.804SS**  trans-61.498.5164.1-75.2-179.7175.61780107.6T216 S220T216-K218 VanDerWaalsContact C-N 3.32Å; T216-K218 PolarHBondContact O-N 3.43Å; K218-S220 VanDerWaalsContact C-N 3.29Å; K218-S220 PolarHBondContact O-N 2.95Å
219L42.9Very low42.6Very low169 Ų169143.1 Ų143.189%0.88580%0.8SS**  trans-6594.8166.6-79.9160.5000107.8A217 L221A217-L219 PolarHBondContact O-N 3.44Å; L219-L221 PolarHBondContact O-N 3.49Å
220S42.5Very low43.7Very low109 Ų109144 Ų14476%0.76280%0.8SS**  trans-6097.9169.7178.10000108.6K218 R222K218-S220 VanDerWaalsContact C-N 3.29Å; K218-S220 PolarHBondContact O-N 2.95Å; S220-R222 PolarHBondContact O-N 3.34Å
221L47.3Very low45Very low163 Ų163142 Ų14285%0.85380%0.796SS**  trans-62.7103.9171.9-165.171.4000107.7L219 Q223L219-L221 PolarHBondContact O-N 3.49Å; L221-Q223 PolarHBondContact O-N 2.96Å
222R40.4Very low46.1Very low233 Ų233145.6 Ų145.688%0.87980%0.797SS**  trans-57.5107174.7-82.6178.5148.3-143.7-4.5108.9S220 G224S220-R222 PolarHBondContact O-N 3.34Å; R222-G224 PolarHBondContact O-N 3.31Å
223Q38.6Very low46.7Very low206 Ų206140.5 Ų140.596%0.96379%0.791SS**  trans-59.3102.7162.6-77.5176.2-30.300108.2L221L221-Q223 PolarHBondContact O-N 2.96Å
224G36.7Very low47Very low60 Ų60139.7 Ų139.762%0.61978%0.784SS**  trans-136.5115.4-177.800000110.7R222R222-G224 PolarHBondContact O-N 3.31Å
225S47.6Very low47.6Very low112 Ų112136.4 Ų136.478%0.78377%0.774SS**  trans78.9112.8170.291.10000116.6Q227S225-Q227 PolarHBondContact O-N 3Å; S225-Q227 VanDerWaalsContact O-N 3.08Å
226K47.9Very low48.7Very low215 Ų215139 Ų13994%0.93578%0.779SS**  trans-65.894.4173.9-59.7170.1177.5-178.70108.7
227Q54.6Low49.7Very low159 Ų159143.8 Ų143.874%0.74378%0.782SS**  trans-115.5110.1155.2-91.9178-16.200107.7S225 I229S225-Q227 PolarHBondContact O-N 3Å; S225-Q227 VanDerWaalsContact O-N 3.08Å; Q227-I229 PolarHBondContact O-N 3.37Å
228N51.8Low51.3Low163 Ų163150 Ų15087%0.87279%0.786SS**  trans-67.873.3-179.5-162.5-14.4000108.7P230N228-P230 WeakPolarHBondContact O-CD 3.35Å
229I54.3Low52.9Low131 Ų131146.5 Ų146.567%0.67278%0.784SS**  trans-82.8111.9171.6-57.4170.2000105.2Q227Q227-I229 PolarHBondContact O-N 3.37Å
230P55.2Low54.4Low93 Ų93141.9 Ų141.960%0.60476%0.762SS**  trans-58.7138.5174.525.6-33000108.2N228 I232N228-P230 WeakPolarHBondContact O-CD 3.35Å; P230-I232 PolarHBondContact O-N 3.08Å
231P62.4Low56.5Low125 Ų125139.2 Ų139.281%0.81274%0.744SS**  trans-55.5118.3178.623.4-32.6000108.4A233P231-A233 PolarHBondContact O-N 2.71Å
232I55.9Low58.3Low146 Ų146136.5 Ų136.575%0.74974%0.736SS**  trans-59.6109.3171-66.5170.6000105.4P230 T234P230-I232 PolarHBondContact O-N 3.08Å; I232-T234 PolarHBondContact O-N 3.36Å
233A50.7Low60.5Low90 Ų90130.6 Ų130.674%0.74473%0.726SS**  trans-61.892.1173.700000107.6P231 P235P231-A233 PolarHBondContact O-N 2.71Å; A233-P235 WeakPolarHBondContact O-CD 3.34Å; A233-P235 VanDerWaalsContact O-N 3.17Å
234T52.6Low62.9Low110 Ų110126 Ų12668%0.67570%0.704SS**  trans-55120.4165.527.30000106.8I232I232-T234 PolarHBondContact O-N 3.36Å
235P56.6Low65.2Low97 Ų97128.8 Ų128.863%0.6370%0.701SS**  trans-58.5137.8-17822.8-32.2000108.9A233 W237A233-P235 WeakPolarHBondContact O-CD 3.34Å; A233-P235 VanDerWaalsContact O-N 3.17Å; P235-W237 PolarHBondContact O-N 2.99Å
236P65.1Low67.2Low116 Ų116129.4 Ų129.475%0.75369%0.692SS**  trans-61.1115.3178.325.1-32.5000108R238P236-R238 VanDerWaalsContact C-N 3.27Å; P236-R238 PolarHBondContact O-N 3.27Å
237W61.5Low69.1Low235 Ų235127.4 Ų127.489%0.8968%0.678SS**  trans-61.591.5172.7-64.388.6000107.9P235 P239P235-W237 PolarHBondContact O-N 2.99Å; W237-P239 WeakPolarHBondContact O-CD 3.23Å
238R72.2Confident70.5Confident222 Ų222124.3 Ų124.384%0.83867%0.666SS**PPolyproline II helixtrans-72120.2164.8-79.9-169.7179.7-1360.6106.7P236 V240P236-R238 VanDerWaalsContact C-N 3.27Å; P236-R238 PolarHBondContact O-N 3.27Å; R238-V240 PolarHBondContact O-N 3.14Å; R238-V240 VanDerWaalsContact O-N 3.09Å
239P73.5Confident72.1Confident123 Ų123121.3 Ų121.380%0.79965%0.65SS**PPolyproline II helixtrans-58.1119.3170.323-30.1000107.8W237 S241W237-P239 WeakPolarHBondContact O-CD 3.23Å; P239-S241 PolarHBondContact O-N 2.69Å
240V76Confident73.6Confident71 Ų71120.9 Ų120.943%0.4365%0.645SS.*PPolyproline II helixtrans-67.3118.3179.3-175.20000107.4R238 E244 Q245R238-V240 PolarHBondContact O-N 3.14Å; R238-V240 VanDerWaalsContact O-N 3.09Å; V240-E244 HydrophobicContact CG1-CB 3.73Å; V240-E244 HydrophobicContact CG1-CG 3.81Å; V240-Q245 HydrophobicContact CB-CG 4.11Å; V240-Q245 HydrophobicContact CG1-CG 3.63Å; V240-Q245 PolarHBondContact O-NE2 3.34Å
241S85.8Confident74.7Confident54 Ų54121.2 Ų121.238%0.37864%0.638SS.*PPolyproline II helixtrans-58.5148.9178.867.40000110.8P239 T243 E244 Q245P239-S241 PolarHBondContact O-N 2.69Å; S241-T243 PolarHBondContact O-N 3Å; S241-T243 VanDerWaalsContact O-N 3.14Å; S241-E244 PolarHBondContact O-N 2.75Å; S241-E244 WeakPolarHBondContact OG-CB 3.46Å; S241-E244 PolarHBondContact OG-N 3.49Å; S241-Q245 PolarHBondContact O-N 3.2Å; S241-Q245 VanDerWaalsContact O-N 3.09Å
242P85.9Confident75.6Confident106 Ų106123.2 Ų123.269%0.68863%0.634SS**Hα-helixtrans-52.9-37.3179-27.534.9000113.2E244 Q245 Q246P242-E244 PolarHBondContact O-N 3.02Å; P242-Q245 PolarHBondContact O-N 2.96Å; P242-Q246 PolarHBondContact O-N 3.09Å; P242-Q246 VanDerWaalsContact O-N 3.1Å
243T86.5Confident76.6Confident109 Ų109126.4 Ų126.467%0.66964%0.637SS**Hα-helixtrans-62.5-40.5177-45.80000112.2S241 Q246 R247S241-T243 PolarHBondContact O-N 3Å; S241-T243 VanDerWaalsContact O-N 3.14Å; T243-Q246 PolarHBondContact O-N 2.95Å; T243-R247 PolarHBondContact O-N 3.35Å
244E88.2Confident77.3Confident108 Ų108125.4 Ų125.451%0.50563%0.625SS.*Hα-helixtrans-72.9-35.2179.5-169.2174-166.500111.7V240 S241 P242 Q246 R247 L248V240-E244 HydrophobicContact CG1-CB 3.73Å; V240-E244 HydrophobicContact CG1-CG 3.81Å; S241-E244 PolarHBondContact O-N 2.75Å; S241-E244 WeakPolarHBondContact OG-CB 3.46Å; S241-E244 PolarHBondContact OG-N 3.49Å; P242-E244 PolarHBondContact O-N 3.02Å; E244-Q246 VanDerWaalsContact C-N 3.34Å; E244-Q246 PolarHBondContact O-N 2.84Å; E244-R247 PolarHBondContact O-N 3.35Å; E244-L248 WeakPolarHBondContact O-CB 3.33Å; E244-L248 PolarHBondContact O-N 2.88Å
245Q85.9Confident77.6Confident119 Ų119123.3 Ų123.356%0.55663%0.625SS**Hα-helixtrans-61.8-42.2172-64.1-173.613.300111.7V240 S241 P242 L248 L249V240-Q245 HydrophobicContact CB-CG 4.11Å; V240-Q245 HydrophobicContact CG1-CG 3.63Å; V240-Q245 PolarHBondContact O-NE2 3.34Å; S241-Q245 PolarHBondContact O-N 3.2Å; S241-Q245 VanDerWaalsContact O-N 3.09Å; P242-Q245 PolarHBondContact O-N 2.96Å; Q245-L248 PolarHBondContact O-N 3.42Å; Q245-L249 WeakPolarHBondContact O-CB 3.28Å; Q245-L249 PolarHBondContact O-N 3.22Å
246Q88.5Confident77.4Confident125 Ų125123.5 Ų123.558%0.58462%0.624SS**Hα-helixtrans-67.1-39.2178.2-161.1172.224.400111.6P242 T243 E244 L249 Q250P242-Q246 PolarHBondContact O-N 3.09Å; P242-Q246 VanDerWaalsContact O-N 3.1Å; T243-Q246 PolarHBondContact O-N 2.95Å; E244-Q246 VanDerWaalsContact C-N 3.34Å; E244-Q246 PolarHBondContact O-N 2.84Å; Q246-L249 PolarHBondContact O-N 2.94Å; Q246-Q250 WeakPolarHBondContact O-CG 2.99Å; Q246-Q250 PolarHBondContact O-N 3.47Å
247R87.6Confident76.8Confident173 Ų173125.5 Ų125.565%0.65363%0.628SS**Hα-helixtrans-62.5-41.8173.6-171.3177.3172.8165-0.9111.9T243 E244 L249 Q250 Q251T243-R247 PolarHBondContact O-N 3.35Å; E244-R247 PolarHBondContact O-N 3.35Å; R247-L249 VanDerWaalsContact C-N 3.33Å; R247-L249 PolarHBondContact O-N 2.92Å; R247-Q250 PolarHBondContact O-N 2.79Å; R247-Q251 PolarHBondContact O-N 3.08Å
248L84.1Confident76Confident94 Ų94118.8 Ų118.849%0.49262%0.616SS.*Hα-helixtrans-65.7-37.1177.2-142.679.5000111.9E244 Q245 Q251 K252E244-L248 WeakPolarHBondContact O-CB 3.33Å; E244-L248 PolarHBondContact O-N 2.88Å; Q245-L248 PolarHBondContact O-N 3.42Å; L248-Q251 PolarHBondContact O-N 3.29Å; L248-K252 WeakPolarHBondContact O-CG 3.06Å; L248-K252 PolarHBondContact O-N 2.66Å
249L86.6Confident75Confident101 Ų101114.4 Ų114.453%0.52961%0.614SS.*Hα-helixtrans-68.6-39.1176.4-167.267.1000111.7Q245 Q246 R247 K252 R253Q245-L249 WeakPolarHBondContact O-CB 3.28Å; Q245-L249 PolarHBondContact O-N 3.22Å; Q246-L249 PolarHBondContact O-N 2.94Å; R247-L249 VanDerWaalsContact C-N 3.33Å; R247-L249 PolarHBondContact O-N 2.92Å; L249-K252 PolarHBondContact O-N 3.17Å; L249-R253 WeakPolarHBondContact O-CG 3.47Å; L249-R253 PolarHBondContact O-N 2.81Å; L249-R253 VanDerWaalsContact O-N 3.08Å
250Q84.9Confident73.7Confident122 Ų122113.7 Ų113.757%0.5761%0.612SS**Hα-helixtrans-65.1-41.2173.2-72.5-175.347.600111.9Q246 R247 K252 R253 S254Q246-Q250 WeakPolarHBondContact O-CG 2.99Å; Q246-Q250 PolarHBondContact O-N 3.47Å; R247-Q250 PolarHBondContact O-N 2.79Å; Q250-K252 VanDerWaalsContact C-N 3.34Å; Q250-K252 PolarHBondContact O-N 3.23Å; Q250-R253 PolarHBondContact O-N 3.18Å; Q250-R253 VanDerWaalsContact O-N 3.15Å; Q250-S254 PolarHBondContact O-N 3.41Å; Q250-S254 PolarHBondContact O-OG 3.04Å
251Q79.2Confident71.8Confident99 Ų99113.6 Ų113.646%0.46363%0.626SS.*Hα-helixtrans-62.1-38.8174-79.7-176.1-19.800112.8R247 L248 R253 S254R247-Q251 PolarHBondContact O-N 3.08Å; L248-Q251 PolarHBondContact O-N 3.29Å; Q251-R253 VanDerWaalsContact C-N 3.29Å; Q251-R253 PolarHBondContact O-N 3.01Å; Q251-S254 PolarHBondContact O-OG 3.18Å
252K79.5Confident69.6Low167 Ų167122.7 Ų122.773%0.72665%0.652SS**Hα-helixtrans-65.3-33.9174.4-77.4-175.9176.3-174.40112.5L248 L249 Q250L248-K252 WeakPolarHBondContact O-CG 3.06Å; L248-K252 PolarHBondContact O-N 2.66Å; L249-K252 PolarHBondContact O-N 3.17Å; Q250-K252 VanDerWaalsContact C-N 3.34Å; Q250-K252 PolarHBondContact O-N 3.23Å
253R77.3Confident67.4Low214 Ų214127.2 Ų127.281%0.80866%0.664SS**Hα-helixtrans-77-35.4178.9-79.3-176.8157.5-170-5.5113.1L249 Q250 Q251 G255L249-R253 WeakPolarHBondContact O-CG 3.47Å; L249-R253 PolarHBondContact O-N 2.81Å; L249-R253 VanDerWaalsContact O-N 3.08Å; Q250-R253 PolarHBondContact O-N 3.18Å; Q250-R253 VanDerWaalsContact O-N 3.15Å; Q251-R253 VanDerWaalsContact C-N 3.29Å; Q251-R253 PolarHBondContact O-N 3.01Å; R253-G255 VanDerWaalsContact C-N 3.26Å; R253-G255 PolarHBondContact O-N 3.04Å
254S66.7Low65.6Low69 Ų69127.1 Ų127.148%0.48367%0.667SS.*Hα-helixtrans-74.7-16-176.260.80000112.9Q250 Q251 V256Q250-S254 PolarHBondContact O-N 3.41Å; Q250-S254 PolarHBondContact O-OG 3.04Å; Q251-S254 PolarHBondContact O-OG 3.18Å; S254-V256 WeakPolarHBondContact O-CG2 3.45Å; S254-V256 PolarHBondContact O-N 2.91Å
255G57.8Low63.6Low66 Ų66131.2 Ų131.268%0.6868%0.684SS**  trans61.3-4.5179.400000114.3R253 L257R253-G255 VanDerWaalsContact C-N 3.26Å; R253-G255 PolarHBondContact O-N 3.04Å; G255-L257 PolarHBondContact O-N 2.82Å
256V52.2Low61.9Low100 Ų100133.2 Ų133.261%0.60670%0.698SS**  trans-87.692.7176.7-164.90000105.9S254 S258S254-V256 WeakPolarHBondContact O-CG2 3.45Å; S254-V256 PolarHBondContact O-N 2.91Å; V256-S258 PolarHBondContact O-N 2.73Å
257L52.2Low59.6Low159 Ų159137.2 Ų137.283%0.83272%0.717SS**  trans-57.282.5157.2-75154.3000107.1G255 T259G255-L257 PolarHBondContact O-N 2.82Å; L257-T259 PolarHBondContact O-N 3.36Å
258S45.6Very low57.4Low93 Ų93131.9 Ų131.965%0.6572%0.716SS**  trans-69.288.7171.2-165.60000106.3V256 S260V256-S258 PolarHBondContact O-N 2.73Å; S258-S260 PolarHBondContact O-N 3.35Å
259T51.3Low56Low131 Ų131133.7 Ų133.780%0.80473%0.733SS**  trans-72.271.7166.445.40000106.8L257 G261L257-T259 PolarHBondContact O-N 3.36Å; T259-G261 PolarHBondContact O-N 2.91Å
260S45.1Very low54.3Low108 Ų108134.2 Ų134.276%0.75575%0.745SS**  trans-67.9108.5171.6730000108.1S258S258-S260 PolarHBondContact O-N 3.35Å
261G37.2Very low52.8Low69 Ų69134.2 Ų134.271%0.71176%0.756SS**  trans86.478.714200000116.3T259T259-G261 PolarHBondContact O-N 2.91Å
262R39Very low51.4Low245 Ų245138.5 Ų138.593%0.92578%0.776SS**  trans-146.595.7133-120.6178.5-178.5-142.10.3109.5S264R262-S264 PolarHBondContact O-N 3.15Å
263Q39.5Very low50Low201 Ų201135.3 Ų135.394%0.93977%0.774SS**  trans-61.1110.2160.5-67.8179.4-19.300107.3
264S50.1Low49Very low106 Ų106135 Ų13574%0.74178%0.779SS**  trans-132.8100.5155.868.60000108.1R262 N266R262-S264 PolarHBondContact O-N 3.15Å; S264-N266 PolarHBondContact O-N 3.45Å
265K45.5Very low48.2Very low195 Ų195139.2 Ų139.285%0.84880%0.795SS**  trans-47125.2158.1-71.8171.8174.5176.40108
266N50.1Low48Very low161 Ų161139.3 Ų139.386%0.86180%0.796SS**  trans168.692.8140.6-80.5-17.6000107.8S264 G268S264-N266 PolarHBondContact O-N 3.45Å; N266-G268 PolarHBondContact O-N 3.21Å
267Q40.7Very low48Very low209 Ų209146.1 Ų146.198%0.97781%0.811SS**  trans-66.1108.3159.9-71.5179.51.800107.2
268G40.7Very low48.4Very low61 Ų61150.1 Ų150.163%0.62982%0.815SS**  trans-115.1128.6165.300000108.5N266 S270N266-G268 PolarHBondContact O-N 3.21Å; G268-S270 PolarHBondContact O-N 3.37Å
269P54Low49.1Very low131 Ų131157.2 Ų157.285%0.85183%0.827SS**PPolyproline II helixtrans-67.2117.9-178.426.1-32.1000110
270S51.8Low49.8Very low113 Ų113156.3 Ų156.379%0.7983%0.826SS**PPolyproline II helixtrans-75130.1174.863.80000109.9G268 Q272G268-S270 PolarHBondContact O-N 3.37Å; S270-Q272 PolarHBondContact O-N 3.34Å
271P53.5Low50.5Low122 Ų122158.7 Ų158.779%0.79283%0.829SS**PPolyproline II helixtrans-71.4127.3-175.225.2-31.8000111.5S273P271-S273 PolarHBondContact O-N 3.46Å; P271-S273 VanDerWaalsContact O-N 3.12Å
272Q49.4Very low51.6Low189 Ų189161 Ų16188%0.88383%0.832SS**  trans-36.5108.6166.8-124.6174.3-40.700111.6S270 K274S270-Q272 PolarHBondContact O-N 3.34Å; Q272-K274 PolarHBondContact O-N 3.2Å; Q272-K274 VanDerWaalsContact O-N 3.07Å
273S50.6Low52.3Low99 Ų99155.8 Ų155.869%0.69283%0.828SS**  trans-68.8108.3171.759.60000108.8P271 L275P271-S273 PolarHBondContact O-N 3.46Å; P271-S273 VanDerWaalsContact O-N 3.12Å; S273-L275 PolarHBondContact O-N 3.25Å
274K55.5Low53Low209 Ų209152.7 Ų152.791%0.90982%0.822SS**  trans-65.184.2169.8-70.7174.8179.3175.30108.6Q272 G276Q272-K274 PolarHBondContact O-N 3.2Å; Q272-K274 VanDerWaalsContact O-N 3.07Å; K274-G276 PolarHBondContact O-N 2.65Å
275L51Low52.8Low157 Ų157154 Ų15482%0.82282%0.82SS**  trans-63.1103.5168.7-87.1155.4000108.3S273 R277S273-L275 PolarHBondContact O-N 3.25Å; L275-R277 PolarHBondContact O-N 3.28Å
276G53.5Low52.7Low67 Ų67148.1 Ų148.169%0.69181%0.814SS**  trans-52.5111.6173.400000110.3K274 R278K274-G276 PolarHBondContact O-N 2.65Å; G276-R278 PolarHBondContact O-N 3.03Å
277R51.7Low52.3Low244 Ų244149.7 Ų149.792%0.92181%0.81SS**  trans-54.4103.3174.8-153.7178.1-161.9-158.24.8108L275 R279L275-R277 PolarHBondContact O-N 3.28Å; R277-R279 PolarHBondContact O-N 3.22Å; R277-R279 VanDerWaalsContact O-N 3.08Å
278R60.7Low52.4Low243 Ų243147.8 Ų147.892%0.91781%0.806SS**  trans-56.6116.5175.1-77.8-178.1143.9-142.5-4.1108.2G276 S280G276-R278 PolarHBondContact O-N 3.03Å; R278-S280 PolarHBondContact O-N 3.44Å; R278-S280 VanDerWaalsContact O-N 3.14Å
279R60.7Low52.6Low242 Ų242154.6 Ų154.691%0.91382%0.818SS**  trans-55.3113.8173.2-68.4173.3127.9-171.5-3.7108.1R277R277-R279 PolarHBondContact O-N 3.22Å; R277-R279 VanDerWaalsContact O-N 3.08Å
280S66.2Low52.3Low112 Ų112153 Ų15378%0.78382%0.816SS**PPolyproline II helixtrans-60.3134.4167.8470000108.7R278R278-S280 PolarHBondContact O-N 3.44Å; R278-S280 VanDerWaalsContact O-N 3.14Å
281L58.8Low52.1Low157 Ų157156 Ų15682%0.82282%0.823SS**PPolyproline II helixtrans-60.1140176-68.3166000109.7T283L281-T283 PolarHBondContact O-N 3.24Å; L281-T283 VanDerWaalsContact O-N 3.16Å
282P59.5Low51.6Low117 Ų117153.7 Ų153.776%0.7682%0.822SS**PPolyproline II helixtrans-64.6116.3176.626-32000109.4V284P282-V284 PolarHBondContact O-N 3.34Å
283T55.6Low51.4Low137 Ų137154.5 Ų154.584%0.8483%0.825SS**PPolyproline II helixtrans-61.9120166.5-50.90000107.4L281 L285L281-T283 PolarHBondContact O-N 3.24Å; L281-T283 VanDerWaalsContact O-N 3.16Å; T283-L285 PolarHBondContact O-N 2.75Å; T283-L285 VanDerWaalsContact O-N 3.17Å
284V54.2Low51Low135 Ų135153 Ų15382%0.81883%0.825SS**PPolyproline II helixtrans-53.2120.8176.5169.10000109P282 G286P282-V284 PolarHBondContact O-N 3.34Å; V284-G286 PolarHBondContact O-N 3.24Å; V284-G286 VanDerWaalsContact O-N 3.13Å
285L46Very low50.6Low135 Ų135152.2 Ų152.271%0.70783%0.827SS**  trans-47.7100.8175.1-16770.5000111.1T283 Y287T283-L285 PolarHBondContact O-N 2.75Å; T283-L285 VanDerWaalsContact O-N 3.17Å; L285-Y287 HydrophobicContact CD2-CE2 3.73Å; L285-Y287 HydrophobicContact CG-CD2 4.29Å; L285-Y287 HydrophobicContact CG-CE2 3.94Å
286G43.2Very low50.3Low70 Ų70154.9 Ų154.972%0.72283%0.832SS**  trans-103112.4159.900000107.7V284V284-G286 PolarHBondContact O-N 3.24Å; V284-G286 VanDerWaalsContact O-N 3.13Å
287Y41.9Very low49.6Very low195 Ų195155.8 Ų155.877%0.76584%0.841SS**  trans-63.1130.7171.4-75.3-103.3000109.3L285L285-Y287 HydrophobicContact CD2-CE2 3.73Å; L285-Y287 HydrophobicContact CG-CD2 4.29Å; L285-Y287 HydrophobicContact CG-CE2 3.94Å
288D42.7Very low49Very low168 Ų168147 Ų14790%0.89883%0.827SS**  -164.6131.3129.2-97.3-30.6000110.9
289K44.7Very low48.4Very low205 Ų205143.4 Ų143.489%0.89182%0.824SS**  trans-72.3129.4174.5-78.1171.1170.5178.40109.4
290A46.7Very low47.9Very low96 Ų96139.4 Ų139.479%0.79382%0.821SS**  trans-161.9119.5141.600000108.9
291D47.8Very low46.8Very low176 Ų176138.8 Ų138.894%0.94182%0.817SS**  trans-60.1131.8172.7-62.4-63.1000110.8
292G42.8Very low46.5Very low74 Ų74137.1 Ų137.176%0.76382%0.815SS**  trans-169.376.3-179.900000111
293Q44.9Very low46.2Very low206 Ų206136.9 Ų136.996%0.96382%0.817SS**  trans-54.9136160.6-76.9179.2-6.300109.8
294G43.6Very low46.2Very low67 Ų67141.9 Ų141.969%0.69182%0.82SS**  trans146.7111.7153.700000116.6
295M46.2Very low46Very low194 Ų194146.6 Ų146.696%0.95682%0.823SS**  trans80.398.9143.7-63.3-79.7154.100118.7
296K44.4Very low46.4Very low213 Ų213144.5 Ų144.593%0.92683%0.825SS**  trans-47143.9152.1-69.8168.3170.31740112.4
297G39.6Very low47.2Very low85 Ų85151.1 Ų151.188%0.87683%0.834SS**  trans11898.2148.600000114.8
298G39.8Very low48Very low61 Ų61151 Ų15163%0.62984%0.838SS**  trans-177.182.9172.400000111.6N300G298-N300 PolarHBondContact O-N 3.26Å
299I47.7Very low48.9Very low167 Ų167149 Ų14986%0.85683%0.834SS**  trans-7179.1175.2-50.3166000107.5S301I299-S301 PolarHBondContact O-N 3.34Å; I299-S301 VanDerWaalsContact O-N 3.16Å
300N49.7Very low49.3Very low157 Ų157142.5 Ų142.584%0.8483%0.825SS**  trans-82.199.5175.3-80.4-18.5000109.5G298G298-N300 PolarHBondContact O-N 3.26Å
301S43.3Very low49.7Very low100 Ų100148 Ų14870%0.69983%0.831SS**  trans-45.7144.1169.2-69.80000112.2I299 S303I299-S301 PolarHBondContact O-N 3.34Å; I299-S301 VanDerWaalsContact O-N 3.16Å; S301-S303 PolarHBondContact O-N 3.12Å
302P53.3Low50.4Low121 Ų121146 Ų14679%0.78683%0.825SS**  trans-65.5105.1-171.825.2-33.3000111.2R304P302-R304 PolarHBondContact O-N 3.39Å; P302-R304 VanDerWaalsContact O-N 3.1Å
303S52.4Low51.5Low113 Ų113148.7 Ų148.779%0.7983%0.827SS**  trans-56.9113.8168.4-178.90000109.1S301 R305S301-S303 PolarHBondContact O-N 3.12Å; S303-R305 VanDerWaalsContact C-N 3.28Å; S303-R305 PolarHBondContact O-N 3.07Å
304R55.3Low52Low242 Ų242143.5 Ų143.591%0.91381%0.813SS**  trans-63.789.1175.5-65.7-179-174.1-153.52.2108.2P302 A306P302-R304 PolarHBondContact O-N 3.39Å; P302-R304 VanDerWaalsContact O-N 3.1Å; R304-A306 PolarHBondContact O-N 3Å
305R50.4Low52.9Low233 Ų233146 Ų14688%0.87982%0.815SS**  trans-66.7101.7175-157.9176.6-175.1-154.13.1108.4S303 K307S303-R305 VanDerWaalsContact C-N 3.28Å; S303-R305 PolarHBondContact O-N 3.07Å; R305-K307 PolarHBondContact O-N 2.83Å; R305-K307 VanDerWaalsContact O-N 3.1Å
306A53.8Low53Low91 Ų91145.1 Ų145.175%0.75281%0.808SS**  trans-50.8113.5172.100000109.5R304 K308R304-A306 PolarHBondContact O-N 3Å; A306-K308 PolarHBondContact O-N 3.04Å
307K59.6Low53.9Low209 Ų209140.3 Ų140.391%0.90980%0.797SS**PPolyproline II helixtrans-71.4116.3172.4-86.1-177.9174.9176.90108.1R305R305-K307 PolarHBondContact O-N 2.83Å; R305-K307 VanDerWaalsContact O-N 3.1Å
308K60.3Low54.6Low194 Ų194141.6 Ų141.684%0.84379%0.79SS**PPolyproline II helixtrans-54.9143174.8-63.8-175.9174.8-174.30110.9A306 G310A306-K308 PolarHBondContact O-N 3.04Å; K308-G310 PolarHBondContact O-N 2.95Å
309P60.2Low55.2Low126 Ų126145.1 Ų145.182%0.81880%0.798SS**PPolyproline II helixtrans-60.9121.2175.524.6-32.1000109.5K311P309-K311 PolarHBondContact O-N 3.14Å
310G54.3Low55.5Low67 Ų67141.6 Ų141.669%0.69179%0.785SS**PPolyproline II helixtrans-62.1130.2178.600000110.5K308 T312K308-G310 PolarHBondContact O-N 2.95Å; G310-T312 PolarHBondContact O-N 3.08Å; G310-T312 VanDerWaalsContact O-N 3.11Å
311K54.8Low56Low212 Ų212143.9 Ų143.992%0.92279%0.787SS**  trans-56.1111.5173.7-69.2174.5175.4-176.60109.4P309 T313P309-K311 PolarHBondContact O-N 3.14Å; K311-T313 PolarHBondContact O-N 3.43Å
312T61.8Low56.8Low135 Ų135145.4 Ų145.483%0.82879%0.787SS**  trans-70.4110.6169.448.10000108.2G310 S314G310-T312 PolarHBondContact O-N 3.08Å; G310-T312 VanDerWaalsContact O-N 3.11Å; T312-S314 PolarHBondContact O-N 3.11Å
313T66.2Low56.9Low130 Ų130143.8 Ų143.880%0.79879%0.793SS**  trans-80.2105.4168.2-155.50000107.2K311 V315K311-T313 PolarHBondContact O-N 3.43Å; T313-V315 PolarHBondContact O-N 3.16Å
314S55.9Low57Low97 Ų97147.1 Ų147.168%0.67879%0.793SS**  trans-83.7105.8172.451.60000108T312 Q316T312-S314 PolarHBondContact O-N 3.11Å; S314-Q316 PolarHBondContact O-N 3.24Å
315V61.6Low57.3Low118 Ų118140.8 Ų140.872%0.71579%0.786SS**  trans-78.9101.1167.5-179.90000106.5T313 V317T313-V315 PolarHBondContact O-N 3.16Å; V315-V317 PolarHBondContact O-N 3.21Å; V315-V317 VanDerWaalsContact O-N 3.17Å
316Q48.2Very low57.7Low176 Ų176135.6 Ų135.682%0.82278%0.782SS**  trans-67.2109.9168.8-74-177.44.500108.2S314 P318S314-Q316 PolarHBondContact O-N 3.24Å; Q316-P318 WeakPolarHBondContact O-CD 3.21Å
317V63.6Low58Low113 Ų113140.6 Ų140.669%0.68579%0.787SS**  trans-82.2117.9165.8-179.30000106.2V315 V319V315-V317 PolarHBondContact O-N 3.21Å; V315-V317 VanDerWaalsContact O-N 3.17Å; V317-V319 PolarHBondContact O-N 3.29Å
318P53.8Low58.3Low112 Ų112135.6 Ų135.673%0.72779%0.785SS**  trans-63.5113.3175.424.2-30.9000108.8Q316 T320Q316-P318 WeakPolarHBondContact O-CD 3.21Å; P318-T320 PolarHBondContact O-N 3.1Å
319V53.2Low58.3Low134 Ų134131.8 Ų131.881%0.81278%0.782SS**  trans-77.799.3169.7-178.60000106.3V317 K321V317-V319 PolarHBondContact O-N 3.29Å; V319-K321 PolarHBondContact O-N 2.84Å
320T54.6Low58.5Low93 Ų93135.5 Ų135.557%0.57179%0.786SS**  trans-66.1128.6166.849.50000108.1P318 D322P318-T320 PolarHBondContact O-N 3.1Å; T320-D322 PolarHBondContact O-N 3.17Å
321K59.6Low58.7Low206 Ų206141.8 Ų141.890%0.89679%0.794SS**SBendtrans-64.5-7.1-169.3-142.7172.9-176.1179.40114.5V319V319-K321 PolarHBondContact O-N 2.84Å
322D60.9Low58.9Low131 Ų131143.5 Ų143.570%0.70181%0.812SS**SBendtrans-112.8110.5171.8-54.7-53.7000107.9T320 K324T320-D322 PolarHBondContact O-N 3.17Å; D322-K324 PolarHBondContact O-N 3.13Å
323G54.2Low58.8Low87 Ų87144 Ų14490%0.89781%0.811SS**  trans-6349.9-172.100000116.6
324K54.9Low58.4Low183 Ų183144.7 Ų144.780%0.79681%0.812SS**  trans-108.6109.7169.6-103.5112176.6-172.40109.6D322D322-K324 PolarHBondContact O-N 3.13Å
325S61Low58.5Low109 Ų109147.3 Ų147.376%0.76282%0.819SS**PPolyproline II helixtrans-58.5135.3174.2-50.10000111K327S325-K327 PolarHBondContact O-N 2.94Å
326P59.4Low58.3Low124 Ų124149.1 Ų149.181%0.80583%0.826SS**PPolyproline II helixtrans-64.4121.1178.823.6-31000110A328P326-A328 PolarHBondContact O-N 3.1Å
327K60.8Low59Low197 Ų197147.4 Ų147.486%0.85783%0.826SS**PPolyproline II helixtrans-66.3120.7171.2-76.6-179176.3173.90108.1S325 S329S325-K327 PolarHBondContact O-N 2.94Å; K327-S329 PolarHBondContact O-N 3.16Å
328A65.3Low58.7Low103 Ų103149.7 Ų149.785%0.85184%0.835SS**  trans-59.7104.7175.900000110.1P326 K330P326-A328 PolarHBondContact O-N 3.1Å; A328-K330 PolarHBondContact O-N 2.97Å
329S59.9Low59Low114 Ų114152.4 Ų152.480%0.79784%0.843SS**  trans-70.9115.2171.1-75.90000109.4K327 K331K327-S329 PolarHBondContact O-N 3.16Å; S329-K331 PolarHBondContact O-N 2.88Å
330K64.9Low59.5Low205 Ų205153.8 Ų153.889%0.89185%0.845SS**  trans-71.298.6172.8-165.7175.4-174.5-178.60107.6A328A328-K330 PolarHBondContact O-N 2.97Å
331K58.6Low59.9Low198 Ų198158.8 Ų158.886%0.86187%0.868SS**  trans-76.2133.1168.8-79.2-170.9173.7-1730108.9S329S329-K331 PolarHBondContact O-N 2.88Å
332L59Low59.9Low249 Ų249154.5 Ų154.5100%1.30487%0.866SS**  trans-59.70-179.1-82.2131.1000112.8

Retrieved 332 of 332 residues in 207.3 ms (Link to these results)