A0A061IC59_CRIGR Loading...

Zinc finger protein with KRAB and SCAN domains 5

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A061IC59, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Zkscan5, Length 819 aa.

						>A0A061IC59_CRIGR|A0A061IC59|Zkscan5
MIMTESRAVIHLEPPAETSSQEQADLLIVKVEEEDCSWMQGYNRPVFETFYQRFKHFQYHEAAGPRDALSQLRVLCCEWLRPELHTKEQILELLVLEQFLTILPEEFQAWVREHHPESGEEAVAVIESIQRELEERRQQITTCPEVLPQKTVPSGATQEPFSHQFLPVEAQSDQEPQNLLEGNALSVLQVPSIPPEDSQGLTAPLLATGSQKLVKIEDVADVAVSFILEEWGHLDQSQKSLSRDGREENCESITPVDYESREGNSELMVQQVSDGADSHWVAAESREKNGAQSQEFAEGSDLKDMAQRWQVYPTVGKSRQKRALNSGPHVSRKQKSNGERGHRCADCGKFFLQASNFIQHRRIHTGEKPFKCGECGKSYNQRVHLTQHQRVHTGEKPYKCQVCGKAFRVSSHLVQHHSVHSGERPYGCNECGKSFGRHSHLIEHLKRHFREKSQSCSDKRSKNTKLNIKKIPEFSEADMELSEEIQTNASQVQGYSEDYEHQDRAGRQQGTVMKEQPSSKSMNCNDFSYVHKKSSSERPHKCNECGKSFIQSAHLIQHRRIHTGEKPFRCEECGKSYNQRVHLTQHHRVHTGEKPYTCHLCGKAFRVRSHLVQHQSVHSRERPFKCNECGKGFGRRSHLAGHLRLHSREKSHQCHECGEIFFQYVSLLEHQVLHVGQKSEKNSVCDEAYSWNLTVIEDKKLELQEQPYQCDTCGKAFSYSSDLIQHYRTHTAEKPQKCDACRDSAGQCPHTKQHQKICTSGKSHQCNECGRGFSLKSHLSQHQRIHTGEKPFQCKECGMSFSWSCSLFKHLRSHERTDS
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	30.9	Very low	31	Very low	229 Å²	229	153.8 Å²	153.8	100%	1.128	80%	0.799	S	S	*	*				0	148.6	0	-83.5	165.6	153.3	0	0	108.1
2	I	31.5	Very low	30.8	Very low	149 Å²	149	153.4 Å²	153.4	76%	0.764	80%	0.797	S	S	*	*			trans	51.1	101	147.5	-56.2	165.1	0	0	0	114.5
3	M	30.4	Very low	30.7	Very low	160 Å²	160	155.3 Å²	155.3	79%	0.788	80%	0.8	S	S	*	*			cis	64.5	141.2	27.8	-88.9	-69.8	-72.1	0	0	115.5
4	T	31	Very low	31.7	Very low	104 Å²	104	152.7 Å²	152.7	64%	0.638	80%	0.798	S	S	*	*			trans	75.6	125	176.6	74.1	0	0	0	0	115
5	E	32.7	Very low	32.3	Very low	171 Å²	171	150.8 Å²	150.8	80%	0.799	80%	0.798	S	S	*	*				101.4	159.1	72.3	-80.9	-171.4	-152.4	0	0	111.6
6	S	33.9	Very low	32	Very low	89 Å²	89	146.9 Å²	146.9	62%	0.622	79%	0.794	S	S	*	*			cis	-168.3	157.7	-15	-102.1	0	0	0	0	110.7
7	R	31.8	Very low	31.8	Very low	241 Å²	241	149 Å²	149	91%	0.909	80%	0.798	S	S	*	*			trans	61.5	138.8	164.2	-70.7	174.8	163	149	-5.6	117.4
8	A	31.7	Very low	31.7	Very low	87 Å²	87	147.4 Å²	147.4	72%	0.719	80%	0.795	S	S	*	*			cis	86.1	126.4	24.3	0	0	0	0	0	116.3
9	V	29.8	Very low	31.5	Very low	141 Å²	141	145.4 Å²	145.4	86%	0.855	79%	0.793	S	S	*	*			trans	-134.6	145.4	170.9	176.3	0	0	0	0	107.6
10	I	32.2	Very low	31.3	Very low	153 Å²	153	143.2 Å²	143.2	79%	0.785	79%	0.788	S	S	*	*			trans	-133.6	131.1	-171.3	-59.7	169.7	0	0	0	110.4
11	H	25.6	Very low	31.3	Very low	168 Å²	168	145.1 Å²	145.1	78%	0.778	79%	0.792	S	S	*	*			trans	-162.6	149	158.4	-81.3	-86.2	0	0	0	107
12	L	28.2	Very low	31.3	Very low	149 Å²	149	141.2 Å²	141.2	78%	0.78	77%	0.771	S	S	*	*			cis	-161	144.9	-20	-111.7	175.9	0	0	0	107.5
13	E	30	Very low	31.2	Very low	178 Å²	178	141.7 Å²	141.7	83%	0.832	77%	0.77	S	S	*	*			trans	-109.1	164.7	162.4	-75.6	-172.9	158.2	0	0	107.9
14	P	44.2	Very low	31.2	Very low	119 Å²	119	139.2 Å²	139.2	77%	0.773	78%	0.775	S	S	*	*			cis	-142.6	-150.3	37.8	43	-19.1	0	0	0	111.9
15	P	40.4	Very low	31	Very low	124 Å²	124	142 Å²	142	81%	0.805	79%	0.786	S	S	*	*			cis	-133.7	-169.2	-2.8	42.3	-21.8	0	0	0	116.7
16	A	28.5	Very low	30.9	Very low	89 Å²	89	140.4 Å²	140.4	74%	0.736	78%	0.782	S	S	*	*			trans	-84.2	169.3	-169.7	0	0	0	0	0	116.1
17	E	28.5	Very low	30.5	Very low	182 Å²	182	144.3 Å²	144.3	85%	0.85	80%	0.795	S	S	*	*				-167.1	153.7	117.2	-106.8	174.9	-156.7	0	0	115.8
18	T	28.8	Very low	30.3	Very low	121 Å²	121	138.5 Å²	138.5	74%	0.742	78%	0.781	S	S	*	*			trans	31.2	114.7	159.3	61.7	0	0	0	0	124.8
19	S	28.1	Very low	29.9	Very low	109 Å²	109	140.5 Å²	140.5	76%	0.762	78%	0.784	S	S	*	*				73	144.9	118	-162.9	0	0	0	0	124.1
20	S	27.7	Very low	30.1	Very low	100 Å²	100	140.8 Å²	140.8	70%	0.699	77%	0.774	S	S	*	*			trans	65.8	93.2	151.4	35.3	0	0	0	0	120.3
21	Q	31.9	Very low	29.9	Very low	184 Å²	184	140 Å²	140	86%	0.86	78%	0.776	S	S	*	*				55.2	143.9	105.8	-167.4	168.8	-43.2	0	0	120.9
22	E	30.7	Very low	30	Very low	148 Å²	148	138.1 Å²	138.1	69%	0.692	77%	0.767	S	S	*	*			trans	105.6	130	168.8	-59.7	-139.7	94.9	0	0	117.9
23	Q	29.7	Very low	30.2	Very low	158 Å²	158	140.5 Å²	140.5	74%	0.738	77%	0.774	S	S	*	*			trans	40.6	104.2	145.5	-55.7	-179.6	49.1	0	0	118.1	D25	Q23-D25 PolarHBondContact O-N 3.04Å; Q23-D25 VanDerWaalsContact O-N 3.16Å
24	A	29.6	Very low	30.2	Very low	109 Å²	109	140 Å²	140	90%	0.901	77%	0.772	S	S	*	*			trans	-68.5	108.1	169.5	0	0	0	0	0	110.8
25	D	27.8	Very low	29.6	Very low	161 Å²	161	140.7 Å²	140.7	86%	0.861	77%	0.769	S	S	*	*			trans	-76.1	151.9	-172.3	-146.7	-14.7	0	0	0	113.6	Q23 L27	Q23-D25 PolarHBondContact O-N 3.04Å; Q23-D25 VanDerWaalsContact O-N 3.16Å; D25-L27 PolarHBondContact O-N 3.26Å
26	L	30.8	Very low	29.2	Very low	139 Å²	139	139.1 Å²	139.1	73%	0.728	76%	0.76	S	S	*	*			trans	-87.6	84.5	-169.3	-82.2	165.2	0	0	0	112.6	I28	L26-I28 HydrophobicContact CB-CD1 4.49Å; L26-I28 HydrophobicContact CB-CG1 4.33Å; L26-I28 HydrophobicContact CD2-CD1 4.37Å; L26-I28 HydrophobicContact CD2-CG1 4.17Å; L26-I28 PolarHBondContact O-N 2.77Å
27	L	25.1	Very low	29.3	Very low	170 Å²	170	138.9 Å²	138.9	89%	0.89	75%	0.753	S	S	*	*			trans	-77.5	71.8	159.3	-79.7	176.5	0	0	0	111.4	D25 V29	D25-L27 PolarHBondContact O-N 3.26Å; L27-V29 VanDerWaalsContact C-N 3.34Å; L27-V29 PolarHBondContact O-N 3.39Å
28	I	26.4	Very low	29.7	Very low	120 Å²	120	138 Å²	138	62%	0.615	74%	0.742	S	S	*	*			trans	-66.2	96.1	161.5	-60.7	169.3	0	0	0	107.3	L26 K30	L26-I28 HydrophobicContact CB-CD1 4.49Å; L26-I28 HydrophobicContact CB-CG1 4.33Å; L26-I28 HydrophobicContact CD2-CD1 4.37Å; L26-I28 HydrophobicContact CD2-CG1 4.17Å; L26-I28 PolarHBondContact O-N 2.77Å; I28-K30 VanDerWaalsContact C-N 3.27Å; I28-K30 HydrophobicContact CG2-CG 4.29Å; I28-K30 PolarHBondContact O-N 3.21Å
29	V	24.8	Very low	29.7	Very low	129 Å²	129	138.8 Å²	138.8	78%	0.782	74%	0.739	S	S	*	*			trans	-65.9	98.2	156.1	177.4	0	0	0	0	106.2	L27 V31	L27-V29 VanDerWaalsContact C-N 3.34Å; L27-V29 PolarHBondContact O-N 3.39Å; V29-V31 PolarHBondContact O-N 3.33Å
30	K	32.3	Very low	30.3	Very low	147 Å²	147	142.6 Å²	142.6	64%	0.639	75%	0.745	S	S	*	*			trans	-56.8	108.4	170.2	-82.8	-178.5	157.4	-158.5	0	109.1	I28 E32	I28-K30 VanDerWaalsContact C-N 3.27Å; I28-K30 HydrophobicContact CG2-CG 4.29Å; I28-K30 PolarHBondContact O-N 3.21Å; K30-E32 HydrophobicContact CB-CG 3.93Å; K30-E32 HydrophobicContact CD-CG 4.05Å; K30-E32 WeakPolarHBondContact CD-OE1 3.49Å; K30-E32 VanDerWaalsContact CE-OE1 3.3Å; K30-E32 WeakPolarHBondContact CE-OE1 3.43Å; K30-E32 HydrophobicContact CG-CG 4.25Å; K30-E32 IonicContact NZ-OE1 2.65Å; K30-E32 PolarHBondContact NZ-OE1 2.6Å
31	V	27.9	Very low	30.9	Very low	136 Å²	136	140.6 Å²	140.6	82%	0.824	74%	0.739	S	S	*	*			trans	-101.3	108	140.9	-178.7	0	0	0	0	104.1	V29	V29-V31 PolarHBondContact O-N 3.33Å
32	E	27.6	Very low	30.8	Very low	128 Å²	128	141.8 Å²	141.8	60%	0.598	74%	0.738	S	S	*	*			trans	-75	130.2	-172.2	-56	-172.7	112.2	0	0	108.9	K30 E34	K30-E32 HydrophobicContact CB-CG 3.93Å; K30-E32 HydrophobicContact CD-CG 4.05Å; K30-E32 WeakPolarHBondContact CD-OE1 3.49Å; K30-E32 VanDerWaalsContact CE-OE1 3.3Å; K30-E32 WeakPolarHBondContact CE-OE1 3.43Å; K30-E32 HydrophobicContact CG-CG 4.25Å; K30-E32 IonicContact NZ-OE1 2.65Å; K30-E32 PolarHBondContact NZ-OE1 2.6Å; E32-E34 PolarHBondContact O-N 3.39Å
33	E	33.2	Very low	31	Very low	199 Å²	199	142.1 Å²	142.1	93%	0.93	74%	0.744	S	S	*	*			trans	-68.8	90.3	162.3	-73.8	-171.7	135	0	0	106.9	D35	E33-D35 PolarHBondContact O-N 2.81Å
34	E	30.1	Very low	31.2	Very low	167 Å²	167	143.5 Å²	143.5	78%	0.78	74%	0.742	S	S	*	*			trans	-57.5	133.2	169.3	-76	-155.6	144.8	0	0	109.5	E32 C36	E32-E34 PolarHBondContact O-N 3.39Å; E34-C36 PolarHBondContact O-N 3.46Å; E34-C36 VanDerWaalsContact O-N 3.16Å
35	D	32	Very low	31.5	Very low	134 Å²	134	143.4 Å²	143.4	72%	0.717	73%	0.733	S	S	*	*			trans	-52	122.6	176.2	-79.1	-65.4	0	0	0	110.6	E33 S37	E33-D35 PolarHBondContact O-N 2.81Å; D35-S37 PolarHBondContact O-N 3.04Å; D35-S37 PolarHBondContact O-OG 3.49Å
36	C	32	Very low	32.1	Very low	91 Å²	91	140.2 Å²	140.2	62%	0.615	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-68.9	32.1	165.6	-75.3	0	0	0	0	113.2	E34 W38	E34-C36 PolarHBondContact O-N 3.46Å; E34-C36 VanDerWaalsContact O-N 3.16Å; C36-W38 PolarHBondContact O-N 3.02Å
37	S	31.3	Very low	32.5	Very low	84 Å²	84	137.5 Å²	137.5	59%	0.587	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-63.1	-22.5	166.3	64.8	0	0	0	0	112.5	D35 M39 Q40	D35-S37 PolarHBondContact O-N 3.04Å; D35-S37 PolarHBondContact O-OG 3.49Å; S37-M39 PolarHBondContact O-N 3.16Å; S37-M39 VanDerWaalsContact O-N 3.11Å; S37-Q40 PolarHBondContact O-N 3.43Å; S37-Q40 VanDerWaalsContact O-N 3.16Å
38	W	35.4	Very low	33.2	Very low	164 Å²	164	133.2 Å²	133.2	62%	0.621	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-63.8	-14.6	179.7	65.4	-96.4	0	0	0	114.6	C36 Q40	C36-W38 PolarHBondContact O-N 3.02Å; W38-Q40 VanDerWaalsContact C-N 3.31Å; W38-Q40 PolarHBondContact O-N 3.42Å
39	M	29.9	Very low	34.1	Very low	137 Å²	137	131.8 Å²	131.8	68%	0.675	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-85.9	15.8	173	-72.4	-155.9	-65.3	0	0	115	S37	S37-M39 PolarHBondContact O-N 3.16Å; S37-M39 VanDerWaalsContact O-N 3.11Å
40	Q	40.1	Very low	34.9	Very low	190 Å²	190	128.8 Å²	128.8	89%	0.888	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-91.9	5.9	167	-73.4	-165.3	-10.1	0	0	114.7	S37 W38	S37-Q40 PolarHBondContact O-N 3.43Å; S37-Q40 VanDerWaalsContact O-N 3.16Å; W38-Q40 VanDerWaalsContact C-N 3.31Å; W38-Q40 PolarHBondContact O-N 3.42Å
41	G	40	Very low	35.4	Very low	57 Å²	57	124.5 Å²	124.5	59%	0.588	63%	0.631	S	S	*	*	S	Bend	trans	-144.8	11.9	-168.3	0	0	0	0	0	119.1
42	Y	29.4	Very low	36.2	Very low	210 Å²	210	122 Å²	122	82%	0.824	61%	0.61	S	S	*	*	S	Bend	trans	-134.1	159.1	179.4	-76.5	-78.4	0	0	0	113.7
43	N	35.4	Very low	37.2	Very low	154 Å²	154	124.5 Å²	124.5	82%	0.824	61%	0.614	S	S	*	*			trans	-63.2	158.9	-164.3	-79.2	-60.1	0	0	0	115.6	P45	N43-P45 WeakPolarHBondContact O-CD 3.15Å; N43-P45 VanDerWaalsContact O-N 3.15Å
44	R	34.7	Very low	37.6	Very low	187 Å²	187	117.5 Å²	117.5	71%	0.706	58%	0.581	S	S	*	*			trans	-41.2	116.3	165.9	-172.2	-171.1	-158.4	-149.5	6.2	109.2	V46 E117	R44-V46 PolarHBondContact O-N 3.44Å; R44-E117 IonicContact CZ-OE1 3.92Å; R44-E117 VanDerWaalsContact CZ-OE1 3.22Å; R44-E117 IonicContact NH1-OE1 3.08Å; R44-E117 PolarHBondContact NH1-OE1 2.88Å; R44-E117 IonicContact NH2-OE1 3.93Å; R44-E117 PolarHBondContact NH2-OE1 2.87Å; R44-E117 IonicContact NH2-OE2 3.33Å; R44-E117 PolarHBondContact NH2-OE2 3.35Å
45	P	35.7	Very low	38.2	Very low	108 Å²	108	116.6 Å²	116.6	70%	0.701	57%	0.574	S	S	*	*			trans	-58.2	123.4	171.5	-23.6	34.2	0	0	0	108.8	N43	N43-P45 WeakPolarHBondContact O-CD 3.15Å; N43-P45 VanDerWaalsContact O-N 3.15Å
46	V	40.8	Very low	38.8	Very low	94 Å²	94	117.3 Å²	117.3	57%	0.57	57%	0.573	S	S	*	*			trans	-68.6	136.1	-179.7	-176.8	0	0	0	0	108.6	R44 E48 T49	R44-V46 PolarHBondContact O-N 3.44Å; V46-E48 HydrophobicContact CG1-CB 4.19Å; V46-E48 PolarHBondContact O-N 3.02Å; V46-T49 PolarHBondContact O-N 3.09Å; V46-T49 PolarHBondContact O-OG1 3.25Å
47	F	38.5	Very low	39.5	Very low	81 Å²	81	116.8 Å²	116.8	36%	0.355	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-43.5	-40.1	-176.5	-156.6	-99.6	0	0	0	112.9	T49 F50 Y51 L93 L96	F47-T49 VanDerWaalsContact C-N 3.3Å; F47-T49 PolarHBondContact O-N 3.42Å; F47-F50 WeakPolarHBondContact O-CB 3.39Å; F47-F50 PolarHBondContact O-N 3.16Å; F47-Y51 PolarHBondContact O-N 3.04Å; F47-L93 HydrophobicContact CE2-CD2 4.03Å; F47-L93 HydrophobicContact CZ-CD2 3.8Å; F47-L96 HydrophobicContact CZ-CD2 4.41Å
48	E	39.2	Very low	40.5	Very low	80 Å²	80	119.8 Å²	119.8	37%	0.374	57%	0.565	S	S	.	*	H	α-helix	trans	-45.7	-45.4	173.6	-166.5	56.5	-147.8	0	0	114.4	V46 F50 Y51 Q52	V46-E48 HydrophobicContact CG1-CB 4.19Å; V46-E48 PolarHBondContact O-N 3.02Å; E48-F50 PolarHBondContact O-N 3.33Å; E48-Y51 PolarHBondContact O-N 3.31Å; E48-Q52 VanDerWaalsContact O-CG 3.31Å; E48-Q52 WeakPolarHBondContact O-CG 3.37Å; E48-Q52 PolarHBondContact O-N 3.06Å; E48-Q52 VanDerWaalsContact O-N 3.1Å; E48-Q52 PolarHBondContact OE1-NE2 2.86Å
49	T	45.9	Very low	41.1	Very low	91 Å²	91	119.2 Å²	119.2	56%	0.558	56%	0.564	S	S	*	*	H	α-helix	trans	-68.7	-20.9	-177.5	61.2	0	0	0	0	113.7	V46 F47	V46-T49 PolarHBondContact O-N 3.09Å; V46-T49 PolarHBondContact O-OG1 3.25Å; F47-T49 VanDerWaalsContact C-N 3.3Å; F47-T49 PolarHBondContact O-N 3.42Å
50	F	42.3	Very low	42.3	Very low	65 Å²	65	118.7 Å²	118.7	29%	0.285	56%	0.559	S	S	.	*	H	α-helix	trans	-85	-45.2	176.8	-167.7	-100.9	0	0	0	110.4	F47 E48 R53 F54 W79	F47-F50 WeakPolarHBondContact O-CB 3.39Å; F47-F50 PolarHBondContact O-N 3.16Å; E48-F50 PolarHBondContact O-N 3.33Å; F50-R53 PolarHBondContact O-N 3.02Å; F50-F54 PolarHBondContact O-N 3.04Å; F50-W79 AromaticContact CZ-CD1 3.98Å; F50-W79 VanDerWaalsContact CZ-O 3.31Å; F50-W79 WeakPolarHBondContact CZ-O 3.48Å
51	Y	41.8	Very low	42.7	Very low	58 Å²	58	118.6 Å²	118.6	23%	0.227	56%	0.559	C	S	.	*	H	α-helix	trans	-62.8	-46.1	-179.2	-156.9	-96.7	0	0	0	112.6	F47 E48 R53 F54 K55 L100	F47-Y51 PolarHBondContact O-N 3.04Å; E48-Y51 PolarHBondContact O-N 3.31Å; Y51-R53 PolarHBondContact O-N 2.84Å; Y51-F54 PolarHBondContact O-N 3.2Å; Y51-K55 PolarHBondContact O-N 2.99Å; Y51-L100 HydrophobicContact CE2-CD1 4.2Å; Y51-L100 WeakPolarHBondContact OH-CD1 3.32Å
52	Q	44.3	Very low	43.9	Very low	84 Å²	84	117 Å²	117	39%	0.393	54%	0.54	S	S	.	.	H	α-helix	trans	-61.6	-27.4	177.8	-65.3	-67.4	-10.8	0	0	113.1	E48 H56	E48-Q52 VanDerWaalsContact O-CG 3.31Å; E48-Q52 WeakPolarHBondContact O-CG 3.37Å; E48-Q52 PolarHBondContact O-N 3.06Å; E48-Q52 VanDerWaalsContact O-N 3.1Å; E48-Q52 PolarHBondContact OE1-NE2 2.86Å; Q52-H56 PolarHBondContact O-ND1 3.5Å
53	R	49.6	Very low	45.5	Very low	179 Å²	179	112.1 Å²	112.1	68%	0.675	54%	0.543	S	S	*	.	H	α-helix	trans	-78.3	-32.2	-178.1	-161.1	169.2	-179.1	148.6	-2.9	112.4	F50 Y51	F50-R53 PolarHBondContact O-N 3.02Å; Y51-R53 PolarHBondContact O-N 2.84Å
54	F	41.8	Very low	46.9	Very low	52 Å²	52	106 Å²	106	23%	0.228	52%	0.516	C	S	.	.	H	α-helix	trans	-77.9	-34.1	174.4	-171.8	-94.9	0	0	0	112.8	F50 Y51 H56 F57 W79 E97	F50-F54 PolarHBondContact O-N 3.04Å; Y51-F54 PolarHBondContact O-N 3.2Å; F54-H56 PolarHBondContact O-N 3.11Å; F54-F57 HydrophobicContact CD2-CB 4.4Å; F54-F57 HydrophobicContact CE2-CD1 4.3Å; F54-F57 VanDerWaalsContact O-CB 3.28Å; F54-F57 WeakPolarHBondContact O-CB 3.43Å; F54-F57 PolarHBondContact O-N 3.37Å; F54-W79 AromaticContact CD2-CD1 3.51Å; F54-W79 AromaticContact CD2-CD2 3.81Å; F54-W79 HydrophobicContact CD2-CD2 3.81Å; F54-W79 AromaticContact CD2-CE2 3.49Å; F54-W79 VanDerWaalsContact CD2-CE2 3.49Å; F54-W79 AromaticContact CD2-CG 3.82Å; F54-W79 HydrophobicContact CD2-CG 3.82Å; F54-W79 HydrophobicContact CD2-CZ2 4.06Å; F54-W79 AromaticContact CD2-NE1 3.28Å; F54-W79 VanDerWaalsContact CD2-NE1 3.28Å; F54-W79 AromaticContact CE2-CD2 3.72Å; F54-W79 HydrophobicContact CE2-CD2 3.72Å; F54-W79 AromaticContact CE2-CE2 3.51Å; F54-W79 HydrophobicContact CE2-CE3 4.12Å; F54-W79 HydrophobicContact CE2-CG 4.18Å; F54-W79 HydrophobicContact CE2-CH2 4.1Å; F54-W79 AromaticContact CE2-CZ2 3.72Å; F54-W79 HydrophobicContact CE2-CZ2 3.72Å; F54-W79 HydrophobicContact CE2-CZ3 4.29Å; F54-W79 AromaticContact CE2-NE1 3.83Å; F54-W79 AromaticContact CG-NE1 3.69Å; F54-W79 HydrophobicContact CZ-CH2 4.23Å; F54-W79 AromaticContact CZ-CZ2 3.97Å; F54-W79 HydrophobicContact CZ-CZ2 3.97Å; F54-E97 WeakPolarHBondContact CD1-OE1 3.44Å; F54-E97 VanDerWaalsContact CE1-CD 3.44Å; F54-E97 VanDerWaalsContact CE1-OE1 3.29Å; F54-E97 WeakPolarHBondContact CE1-OE1 3.47Å; F54-E97 WeakPolarHBondContact CE1-OE2 3.48Å
55	K	42.9	Very low	47.6	Very low	149 Å²	149	102.3 Å²	102.3	65%	0.648	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.8	177.9	-166.9	175.8	180	-176.1	0	114.5	Y51	Y51-K55 PolarHBondContact O-N 2.99Å
56	H	44.3	Very low	48.6	Very low	148 Å²	148	107.8 Å²	107.8	69%	0.685	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-0.8	176.5	-63.4	90.1	0	0	0	113.9	Q52 F54 Q58	Q52-H56 PolarHBondContact O-ND1 3.5Å; F54-H56 PolarHBondContact O-N 3.11Å; H56-Q58 PolarHBondContact O-N 3.19Å
57	F	46.6	Very low	49.4	Very low	81 Å²	81	107 Å²	107	36%	0.355	52%	0.516	S	S	.	.			trans	-80.8	96.1	-180	-175.7	-96.6	0	0	0	111	F54 L75	F54-F57 HydrophobicContact CD2-CB 4.4Å; F54-F57 HydrophobicContact CE2-CD1 4.3Å; F54-F57 VanDerWaalsContact O-CB 3.28Å; F54-F57 WeakPolarHBondContact O-CB 3.43Å; F54-F57 PolarHBondContact O-N 3.37Å; F57-L75 HydrophobicContact CE1-CD1 4.08Å; F57-L75 HydrophobicContact CZ-CD1 4.33Å
58	Q	51.2	Low	50.5	Low	146 Å²	146	104.7 Å²	104.7	68%	0.682	51%	0.512	S	S	*	.			trans	-86.1	119.3	172.7	-63.9	-170.8	8.1	0	0	110.6	H56 H60	H56-Q58 PolarHBondContact O-N 3.19Å; Q58-H60 PolarHBondContact O-N 3.26Å
59	Y	48.6	Very low	51.2	Low	152 Å²	152	106.7 Å²	106.7	60%	0.596	53%	0.525	S	S	*	.			trans	-75.8	110.3	173.7	-175.5	-98.2	0	0	0	110.5
60	H	54.8	Low	52.1	Low	126 Å²	126	105.7 Å²	105.7	58%	0.583	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-95.7	134.1	174.7	-64.4	-57.9	0	0	0	111.3	Q58 A62 Q71	Q58-H60 PolarHBondContact O-N 3.26Å; H60-A62 PolarHBondContact O-N 3.02Å; H60-A62 VanDerWaalsContact O-N 3.14Å; H60-Q71 PolarHBondContact O-NE2 3.2Å; H60-Q71 PolarHBondContact O-OE1 3.4Å
61	E	49.3	Very low	53.1	Low	188 Å²	188	104.7 Å²	104.7	88%	0.879	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-58.2	117.2	-178.3	-171.9	172.9	-162.4	0	0	111.3	A63	E61-A63 PolarHBondContact O-N 3.46Å
62	A	65.6	Low	54.1	Low	23 Å²	23	106.9 Å²	106.9	19%	0.19	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-70.3	121.6	-170.4	0	0	0	0	0	112.4	H60 G64 D67 A68	H60-A62 PolarHBondContact O-N 3.02Å; H60-A62 VanDerWaalsContact O-N 3.14Å; A62-G64 PolarHBondContact O-N 2.88Å; A62-D67 HydrophobicContact CB-CB 4.43Å; A62-A68 HydrophobicContact CB-CB 3.69Å
63	A	62.5	Low	54.9	Low	108 Å²	108	111.6 Å²	111.6	89%	0.893	55%	0.547	S	S	*	.	S	Bend	trans	-64.3	-4.6	-177.1	0	0	0	0	0	115	E61	E61-A63 PolarHBondContact O-N 3.46Å
64	G	64.2	Low	55.5	Low	25 Å²	25	106.2 Å²	106.2	26%	0.258	53%	0.534	S	S	.	.	S	Bend	trans	-177	169.6	172.1	0	0	0	0	0	114	A62 R66 D67 A68	A62-G64 PolarHBondContact O-N 2.88Å; G64-R66 VanDerWaalsContact C-N 3.26Å; G64-R66 PolarHBondContact O-N 2.93Å; G64-D67 WeakPolarHBondContact O-CB 3.5Å; G64-D67 PolarHBondContact O-N 2.86Å; G64-A68 PolarHBondContact O-N 2.67Å
65	P	50.8	Low	56.4	Low	111 Å²	111	106 Å²	106	72%	0.721	54%	0.535	S	S	*	.	H	α-helix	trans	-67.9	-19.1	-171.9	26.6	-35.7	0	0	0	114.6	L69	P65-L69 WeakPolarHBondContact O-CD1 3.49Å; P65-L69 VanDerWaalsContact O-CG 3.27Å; P65-L69 WeakPolarHBondContact O-CG 3.46Å; P65-L69 PolarHBondContact O-N 3.19Å
66	R	54.7	Low	57.2	Low	222 Å²	222	100.9 Å²	100.9	84%	0.838	52%	0.517	S	S	*	.	H	α-helix	trans	-73	-42	169.5	-84.6	-178.5	167.8	-106.2	1.8	111.5	G64 L69 S70	G64-R66 VanDerWaalsContact C-N 3.26Å; G64-R66 PolarHBondContact O-N 2.93Å; R66-L69 PolarHBondContact O-N 3.06Å; R66-S70 PolarHBondContact O-N 3.33Å; R66-S70 PolarHBondContact O-OG 2.85Å
67	D	57.9	Low	57.8	Low	78 Å²	78	96.9 Å²	96.9	42%	0.417	51%	0.505	S	S	.	.	H	α-helix	trans	-71.5	-41.3	-175.7	-151.4	48.5	0	0	0	110.8	A62 G64 L69 S70 Q71	A62-D67 HydrophobicContact CB-CB 4.43Å; G64-D67 WeakPolarHBondContact O-CB 3.5Å; G64-D67 PolarHBondContact O-N 2.86Å; D67-L69 VanDerWaalsContact C-N 3.27Å; D67-L69 PolarHBondContact O-N 3.32Å; D67-S70 WeakPolarHBondContact O-CB 3.39Å; D67-S70 PolarHBondContact O-N 3.46Å; D67-Q71 WeakPolarHBondContact O-CG 3.31Å; D67-Q71 PolarHBondContact O-N 2.87Å
68	A	62.2	Low	58.2	Low	33 Å²	33	98.2 Å²	98.2	27%	0.273	51%	0.512	S	S	.	.	H	α-helix	trans	-55.6	-40.1	170.5	0	0	0	0	0	112.4	A62 G64 L72	A62-A68 HydrophobicContact CB-CB 3.69Å; G64-A68 PolarHBondContact O-N 2.67Å; A68-L72 WeakPolarHBondContact O-CB 3.4Å; A68-L72 PolarHBondContact O-N 2.77Å
69	L	53.6	Low	58.4	Low	122 Å²	122	93.4 Å²	93.4	64%	0.639	49%	0.488	S	S	*	.	H	α-helix	trans	-72.1	-32.8	176.6	-73.2	170.5	0	0	0	112.7	P65 R66 D67 R73	P65-L69 WeakPolarHBondContact O-CD1 3.49Å; P65-L69 VanDerWaalsContact O-CG 3.27Å; P65-L69 WeakPolarHBondContact O-CG 3.46Å; P65-L69 PolarHBondContact O-N 3.19Å; R66-L69 PolarHBondContact O-N 3.06Å; D67-L69 VanDerWaalsContact C-N 3.27Å; D67-L69 PolarHBondContact O-N 3.32Å; L69-R73 VanDerWaalsContact O-CB 3.31Å; L69-R73 WeakPolarHBondContact O-CB 3.44Å; L69-R73 PolarHBondContact O-N 3.35Å
70	S	64.5	Low	58.9	Low	69 Å²	69	88 Å²	88	48%	0.483	47%	0.469	S	S	.	.	H	α-helix	trans	-65.7	-51.6	172.4	-63.4	0	0	0	0	111.3	R66 D67 L72 R73 V74	R66-S70 PolarHBondContact O-N 3.33Å; R66-S70 PolarHBondContact O-OG 2.85Å; D67-S70 WeakPolarHBondContact O-CB 3.39Å; D67-S70 PolarHBondContact O-N 3.46Å; S70-L72 VanDerWaalsContact C-N 3.35Å; S70-L72 PolarHBondContact O-N 3.22Å; S70-R73 WeakPolarHBondContact O-CB 3.33Å; S70-R73 PolarHBondContact O-N 2.87Å; S70-R73 VanDerWaalsContact O-N 3.15Å; S70-V74 PolarHBondContact O-N 2.84Å
71	Q	64.3	Low	59	Low	45 Å²	45	86.8 Å²	86.8	21%	0.21	46%	0.46	C	S	.	.	H	α-helix	trans	-58.3	-45.1	176.8	-66.7	176.5	1.1	0	0	111.8	H60 D67 R73 V74 L75	H60-Q71 PolarHBondContact O-NE2 3.2Å; H60-Q71 PolarHBondContact O-OE1 3.4Å; D67-Q71 WeakPolarHBondContact O-CG 3.31Å; D67-Q71 PolarHBondContact O-N 2.87Å; Q71-R73 VanDerWaalsContact C-N 3.3Å; Q71-R73 PolarHBondContact O-N 3.25Å; Q71-V74 WeakPolarHBondContact O-CB 3.48Å; Q71-V74 PolarHBondContact O-N 3.14Å; Q71-L75 PolarHBondContact O-N 3.42Å
72	L	61.8	Low	59.3	Low	103 Å²	103	81.6 Å²	81.6	54%	0.539	44%	0.442	S	S	.	.	H	α-helix	trans	-67.7	-30.6	179	-161.3	154.4	0	0	0	111.6	A68 S70 C76	A68-L72 WeakPolarHBondContact O-CB 3.4Å; A68-L72 PolarHBondContact O-N 2.77Å; S70-L72 VanDerWaalsContact C-N 3.35Å; S70-L72 PolarHBondContact O-N 3.22Å; L72-C76 WeakPolarHBondContact O-CB 3.24Å; L72-C76 PolarHBondContact O-N 3.43Å; L72-C76 PolarHBondContact O-SG 3.36Å
73	R	62.7	Low	58.8	Low	184 Å²	184	88.6 Å²	88.6	69%	0.694	47%	0.471	S	S	*	.	H	α-helix	trans	-68.5	-41.1	170.2	-174	177.8	180	-130.2	-3.6	112.2	L69 S70 Q71 C76 C77	L69-R73 VanDerWaalsContact O-CB 3.31Å; L69-R73 WeakPolarHBondContact O-CB 3.44Å; L69-R73 PolarHBondContact O-N 3.35Å; S70-R73 WeakPolarHBondContact O-CB 3.33Å; S70-R73 PolarHBondContact O-N 2.87Å; S70-R73 VanDerWaalsContact O-N 3.15Å; Q71-R73 VanDerWaalsContact C-N 3.3Å; Q71-R73 PolarHBondContact O-N 3.25Å; R73-C76 PolarHBondContact O-N 3.29Å; R73-C77 WeakPolarHBondContact O-CB 3.41Å; R73-C77 PolarHBondContact O-N 3.04Å; R73-C77 PolarHBondContact O-SG 2.84Å
74	V	62.1	Low	58	Low	66 Å²	66	89.4 Å²	89.4	40%	0.4	46%	0.46	S	S	.	.	H	α-helix	trans	-60	-49	173.5	171.3	0	0	0	0	110.2	S70 Q71 C76 C77 E78	S70-V74 PolarHBondContact O-N 2.84Å; Q71-V74 WeakPolarHBondContact O-CB 3.48Å; Q71-V74 PolarHBondContact O-N 3.14Å; V74-C76 VanDerWaalsContact C-N 3.32Å; V74-C76 PolarHBondContact O-N 3.13Å; V74-C77 PolarHBondContact O-N 3.38Å; V74-E78 HydrophobicContact CG1-CG 4.09Å; V74-E78 WeakPolarHBondContact O-CB 3.48Å; V74-E78 PolarHBondContact O-N 2.86Å
75	L	60.6	Low	57.7	Low	47 Å²	47	91.1 Å²	91.1	25%	0.246	46%	0.461	C	S	.	.	I	π-helix	trans	-59.2	-39.7	176.8	-172.3	151.2	0	0	0	112.4	F57 Q71 W79 L80	F57-L75 HydrophobicContact CE1-CD1 4.08Å; F57-L75 HydrophobicContact CZ-CD1 4.33Å; Q71-L75 PolarHBondContact O-N 3.42Å; L75-W79 HydrophobicContact CD2-CE3 3.86Å; L75-W79 HydrophobicContact CD2-CZ3 4.16Å; L75-W79 HydrophobicContact CG-CE3 4.03Å; L75-W79 WeakPolarHBondContact O-CB 3.39Å; L75-W79 PolarHBondContact O-N 3.25Å; L75-L80 HydrophobicContact CD2-CD1 3.93Å; L75-L80 HydrophobicContact CD2-CG 4.04Å; L75-L80 PolarHBondContact O-N 3.13Å
76	C	59.6	Low	58.2	Low	42 Å²	42	89 Å²	89	28%	0.284	45%	0.446	S	S	.	.	I	π-helix	trans	-68	-42.4	174.7	-75.9	0	0	0	0	113.9	L72 R73 V74 R81 P82	L72-C76 WeakPolarHBondContact O-CB 3.24Å; L72-C76 PolarHBondContact O-N 3.43Å; L72-C76 PolarHBondContact O-SG 3.36Å; R73-C76 PolarHBondContact O-N 3.29Å; V74-C76 VanDerWaalsContact C-N 3.32Å; V74-C76 PolarHBondContact O-N 3.13Å; C76-R81 PolarHBondContact O-N 3.01Å; C76-R81 VanDerWaalsContact O-N 3.13Å; C76-P82 VanDerWaalsContact O-CD 3.24Å; C76-P82 WeakPolarHBondContact O-CD 3.36Å
77	C	56.9	Low	58.4	Low	64 Å²	64	85.5 Å²	85.5	43%	0.432	44%	0.437	S	S	.	.	I	π-helix	trans	-87.1	-40.6	-172.5	-69.7	0	0	0	0	113.4	R73 V74 R81	R73-C77 WeakPolarHBondContact O-CB 3.41Å; R73-C77 PolarHBondContact O-N 3.04Å; R73-C77 PolarHBondContact O-SG 2.84Å; V74-C77 PolarHBondContact O-N 3.38Å; C77-R81 WeakPolarHBondContact O-CG 3.27Å
78	E	55.1	Low	58.5	Low	108 Å²	108	86.9 Å²	86.9	51%	0.505	44%	0.441	S	S	.	.	I	π-helix	trans	-82	-40.4	-178.5	-63.6	-155.5	136.6	0	0	112.7	V74 R81	V74-E78 HydrophobicContact CG1-CG 4.09Å; V74-E78 WeakPolarHBondContact O-CB 3.48Å; V74-E78 PolarHBondContact O-N 2.86Å; E78-R81 PolarHBondContact O-NE 2.94Å
79	W	55.1	Low	58.1	Low	45 Å²	45	89.5 Å²	89.5	17%	0.17	45%	0.447	C	S	.	.	I	π-helix	trans	-101.6	-65.8	-173.5	-177.1	66	0	0	0	112.7	F50 F54 L75 R81 L94 E97	F50-W79 AromaticContact CZ-CD1 3.98Å; F50-W79 VanDerWaalsContact CZ-O 3.31Å; F50-W79 WeakPolarHBondContact CZ-O 3.48Å; F54-W79 AromaticContact CD2-CD1 3.51Å; F54-W79 AromaticContact CD2-CD2 3.81Å; F54-W79 HydrophobicContact CD2-CD2 3.81Å; F54-W79 AromaticContact CD2-CE2 3.49Å; F54-W79 VanDerWaalsContact CD2-CE2 3.49Å; F54-W79 AromaticContact CD2-CG 3.82Å; F54-W79 HydrophobicContact CD2-CG 3.82Å; F54-W79 HydrophobicContact CD2-CZ2 4.06Å; F54-W79 AromaticContact CD2-NE1 3.28Å; F54-W79 VanDerWaalsContact CD2-NE1 3.28Å; F54-W79 AromaticContact CE2-CD2 3.72Å; F54-W79 HydrophobicContact CE2-CD2 3.72Å; F54-W79 AromaticContact CE2-CE2 3.51Å; F54-W79 HydrophobicContact CE2-CE3 4.12Å; F54-W79 HydrophobicContact CE2-CG 4.18Å; F54-W79 HydrophobicContact CE2-CH2 4.1Å; F54-W79 AromaticContact CE2-CZ2 3.72Å; F54-W79 HydrophobicContact CE2-CZ2 3.72Å; F54-W79 HydrophobicContact CE2-CZ3 4.29Å; F54-W79 AromaticContact CE2-NE1 3.83Å; F54-W79 AromaticContact CG-NE1 3.69Å; F54-W79 HydrophobicContact CZ-CH2 4.23Å; F54-W79 AromaticContact CZ-CZ2 3.97Å; F54-W79 HydrophobicContact CZ-CZ2 3.97Å; L75-W79 HydrophobicContact CD2-CE3 3.86Å; L75-W79 HydrophobicContact CD2-CZ3 4.16Å; L75-W79 HydrophobicContact CG-CE3 4.03Å; L75-W79 WeakPolarHBondContact O-CB 3.39Å; L75-W79 PolarHBondContact O-N 3.25Å; W79-R81 PolarHBondContact O-N 2.82Å; W79-R81 VanDerWaalsContact O-N 3.11Å; W79-L94 HydrophobicContact CH2-CD2 3.59Å; W79-L94 HydrophobicContact CH2-CG 3.95Å; W79-L94 HydrophobicContact CZ3-CD2 4.15Å; W79-E97 WeakPolarHBondContact CZ2-OE2 3.49Å
80	L	59.4	Low	58.7	Low	38 Å²	38	84.9 Å²	84.9	20%	0.199	42%	0.423	C	S	.	.	I	π-helix	trans	-60	-31	-175	-63.8	177.2	0	0	0	113.4	L75 I90 L94	L75-L80 HydrophobicContact CD2-CD1 3.93Å; L75-L80 HydrophobicContact CD2-CG 4.04Å; L75-L80 PolarHBondContact O-N 3.13Å; L80-I90 HydrophobicContact CD2-CG2 3.75Å; L80-I90 WeakPolarHBondContact O-CD1 3.3Å; L80-L94 HydrophobicContact CD2-CD1 4.33Å
81	R	56.1	Low	58.7	Low	101 Å²	101	85.6 Å²	85.6	38%	0.381	42%	0.421	S	S	.	.			trans	39.8	57.8	177.9	-66.4	-178	179	-139.1	-7.1	113.2	C76 C77 E78 W79 E83 L84 H85	C76-R81 PolarHBondContact O-N 3.01Å; C76-R81 VanDerWaalsContact O-N 3.13Å; C77-R81 WeakPolarHBondContact O-CG 3.27Å; E78-R81 PolarHBondContact O-NE 2.94Å; W79-R81 PolarHBondContact O-N 2.82Å; W79-R81 VanDerWaalsContact O-N 3.11Å; R81-E83 PolarHBondContact O-N 2.98Å; R81-L84 PolarHBondContact O-N 3.02Å; R81-H85 PolarHBondContact O-N 3.22Å
82	P	55.4	Low	58.8	Low	80 Å²	80	87.8 Å²	87.8	52%	0.519	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	1	-175.1	31.6	-38.3	0	0	0	114.6	C76 I90	C76-P82 VanDerWaalsContact O-CD 3.24Å; C76-P82 WeakPolarHBondContact O-CD 3.36Å; P82-I90 HydrophobicContact CB-CD1 4.12Å
83	E	54.7	Low	58.9	Low	169 Å²	169	85.1 Å²	85.1	79%	0.79	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-16.9	171.1	-68.8	144.3	-157.9	0	0	112.4	R81	R81-E83 PolarHBondContact O-N 2.98Å
84	L	46.7	Very low	59	Low	125 Å²	125	79.6 Å²	79.6	65%	0.654	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-26.7	-175.5	-63.2	178.6	0	0	0	114.1	R81	R81-L84 PolarHBondContact O-N 3.02Å
85	H	57	Low	59.3	Low	61 Å²	61	80.9 Å²	80.9	28%	0.282	41%	0.409	S	S	.	.	S	Bend	trans	-116.5	144.2	-177.2	-54	118.3	0	0	0	111.3	R81 Q89 I90	R81-H85 PolarHBondContact O-N 3.22Å; H85-Q89 HydrophobicContact CB-CB 4.29Å; H85-I90 HydrophobicContact CB-CD1 4.08Å; H85-I90 HydrophobicContact CB-CG1 3.67Å
86	T	61.4	Low	59.5	Low	66 Å²	66	79.1 Å²	79.1	41%	0.405	40%	0.4	S	S	.	.			trans	-71.5	164.8	173	86.6	0	0	0	0	111.1	E88 Q89 I90	T86-E88 VanDerWaalsContact CB-OE2 3.23Å; T86-E88 WeakPolarHBondContact CB-OE2 3.18Å; T86-E88 PolarHBondContact O-N 3.33Å; T86-E88 PolarHBondContact OG1-N 3.45Å; T86-E88 PolarHBondContact OG1-OE2 3.49Å; T86-Q89 PolarHBondContact O-N 3.03Å; T86-Q89 PolarHBondContact OG1-N 3.18Å; T86-I90 VanDerWaalsContact O-CG1 3.31Å; T86-I90 WeakPolarHBondContact O-CG1 3.3Å; T86-I90 PolarHBondContact O-N 3.08Å
87	K	58.8	Low	59.7	Low	149 Å²	149	78.7 Å²	78.7	65%	0.648	39%	0.394	S	S	*	.	H	α-helix	trans	-61.7	-33.5	178.7	-171.1	-164.5	168	-129.7	0	111.7	L91	K87-L91 HydrophobicContact CG-CD1 4.32Å; K87-L91 WeakPolarHBondContact O-CB 3.42Å; K87-L91 WeakPolarHBondContact O-CD1 3.32Å; K87-L91 VanDerWaalsContact O-CG 3.25Å; K87-L91 WeakPolarHBondContact O-CG 3.46Å; K87-L91 PolarHBondContact O-N 3.47Å; K87-L91 VanDerWaalsContact O-N 3.13Å
88	E	60.2	Low	60.1	Low	107 Å²	107	81.1 Å²	81.1	50%	0.5	40%	0.399	S	S	.	.	H	α-helix	trans	-66.1	-54.2	176.8	-58.6	65.8	-141.5	0	0	109.4	T86 I90 L91 E92	T86-E88 VanDerWaalsContact CB-OE2 3.23Å; T86-E88 WeakPolarHBondContact CB-OE2 3.18Å; T86-E88 PolarHBondContact O-N 3.33Å; T86-E88 PolarHBondContact OG1-N 3.45Å; T86-E88 PolarHBondContact OG1-OE2 3.49Å; E88-I90 VanDerWaalsContact C-N 3.31Å; E88-I90 PolarHBondContact O-N 2.81Å; E88-L91 CarbonylContact O-C 3.52Å; E88-L91 WeakPolarHBondContact O-CA 3.29Å; E88-L91 WeakPolarHBondContact O-CB 3.32Å; E88-L91 PolarHBondContact O-N 2.79Å; E88-E92 PolarHBondContact O-N 3.22Å
89	Q	54.8	Low	60.5	Low	89 Å²	89	79 Å²	79	42%	0.416	39%	0.388	S	S	.	.	H	α-helix	trans	-56.9	-40.1	176.7	-67.1	174	-35.1	0	0	113.2	H85 T86 E92 L93	H85-Q89 HydrophobicContact CB-CB 4.29Å; T86-Q89 PolarHBondContact O-N 3.03Å; T86-Q89 PolarHBondContact OG1-N 3.18Å; Q89-E92 PolarHBondContact O-N 3.36Å; Q89-L93 WeakPolarHBondContact O-CG 3.23Å; Q89-L93 PolarHBondContact O-N 2.98Å
90	I	65.1	Low	60.9	Low	25 Å²	25	77.4 Å²	77.4	13%	0.128	38%	0.383	C	S	.	.	H	α-helix	trans	-64.9	-40	176.1	-70.7	167.6	0	0	0	111.4	L80 P82 H85 T86 E88 L94	L80-I90 HydrophobicContact CD2-CG2 3.75Å; L80-I90 WeakPolarHBondContact O-CD1 3.3Å; P82-I90 HydrophobicContact CB-CD1 4.12Å; H85-I90 HydrophobicContact CB-CD1 4.08Å; H85-I90 HydrophobicContact CB-CG1 3.67Å; T86-I90 VanDerWaalsContact O-CG1 3.31Å; T86-I90 WeakPolarHBondContact O-CG1 3.3Å; T86-I90 PolarHBondContact O-N 3.08Å; E88-I90 VanDerWaalsContact C-N 3.31Å; E88-I90 PolarHBondContact O-N 2.81Å; I90-L94 HydrophobicContact CG2-CD1 4.17Å; I90-L94 WeakPolarHBondContact O-CB 3.44Å; I90-L94 PolarHBondContact O-N 2.97Å; I90-L94 VanDerWaalsContact O-N 3.1Å
91	L	64.2	Low	61.1	Low	84 Å²	84	79.8 Å²	79.8	44%	0.44	40%	0.399	S	S	.	.	H	α-helix	trans	-71.1	-35.9	176.2	-72.6	168.9	0	0	0	111.7	K87 E88 L94 V95	K87-L91 HydrophobicContact CG-CD1 4.32Å; K87-L91 WeakPolarHBondContact O-CB 3.42Å; K87-L91 WeakPolarHBondContact O-CD1 3.32Å; K87-L91 VanDerWaalsContact O-CG 3.25Å; K87-L91 WeakPolarHBondContact O-CG 3.46Å; K87-L91 PolarHBondContact O-N 3.47Å; K87-L91 VanDerWaalsContact O-N 3.13Å; E88-L91 CarbonylContact O-C 3.52Å; E88-L91 WeakPolarHBondContact O-CA 3.29Å; E88-L91 WeakPolarHBondContact O-CB 3.32Å; E88-L91 PolarHBondContact O-N 2.79Å; L91-L94 PolarHBondContact O-N 3.09Å; L91-V95 WeakPolarHBondContact O-CB 3.38Å; L91-V95 VanDerWaalsContact O-CG2 3.22Å; L91-V95 WeakPolarHBondContact O-CG2 3.34Å; L91-V95 PolarHBondContact O-N 3.25Å
92	E	66.3	Low	61.5	Low	91 Å²	91	81 Å²	81	43%	0.425	41%	0.411	S	S	.	.	H	α-helix	trans	-66.4	-41.7	174.7	-75.3	169.3	-139.2	0	0	112	E88 Q89 V95 L96	E88-E92 PolarHBondContact O-N 3.22Å; Q89-E92 PolarHBondContact O-N 3.36Å; E92-V95 PolarHBondContact O-N 2.9Å; E92-L96 WeakPolarHBondContact O-CB 3.39Å; E92-L96 PolarHBondContact O-N 3.35Å
93	L	64	Low	62	Low	46 Å²	46	78.3 Å²	78.3	24%	0.241	39%	0.392	C	S	.	.	H	α-helix	trans	-61.8	-45.1	172.8	-72.4	168.6	0	0	0	112	F47 Q89 V95 L96 E97	F47-L93 HydrophobicContact CE2-CD2 4.03Å; F47-L93 HydrophobicContact CZ-CD2 3.8Å; Q89-L93 WeakPolarHBondContact O-CG 3.23Å; Q89-L93 PolarHBondContact O-N 2.98Å; L93-V95 PolarHBondContact O-N 2.79Å; L93-L96 PolarHBondContact O-N 3.32Å; L93-E97 WeakPolarHBondContact O-CB 3.45Å; L93-E97 PolarHBondContact O-N 3.36Å
94	L	66.1	Low	62.6	Low	69 Å²	69	73.9 Å²	73.9	36%	0.361	38%	0.379	S	S	.	.	H	α-helix	trans	-59.1	-42.4	174	-93	158.6	0	0	0	112.7	W79 L80 I90 L91 Q98	W79-L94 HydrophobicContact CH2-CD2 3.59Å; W79-L94 HydrophobicContact CH2-CG 3.95Å; W79-L94 HydrophobicContact CZ3-CD2 4.15Å; L80-L94 HydrophobicContact CD2-CD1 4.33Å; I90-L94 HydrophobicContact CG2-CD1 4.17Å; I90-L94 WeakPolarHBondContact O-CB 3.44Å; I90-L94 PolarHBondContact O-N 2.97Å; I90-L94 VanDerWaalsContact O-N 3.1Å; L91-L94 PolarHBondContact O-N 3.09Å; L94-Q98 WeakPolarHBondContact O-CB 3.44Å; L94-Q98 PolarHBondContact O-N 2.9Å
95	V	67.9	Low	63.3	Low	92 Å²	92	75.7 Å²	75.7	56%	0.558	38%	0.383	S	S	*	.	H	α-helix	trans	-73.1	-42	179.8	166.8	0	0	0	0	111.1	L91 E92 L93 E97 Q98 F99	L91-V95 WeakPolarHBondContact O-CB 3.38Å; L91-V95 VanDerWaalsContact O-CG2 3.22Å; L91-V95 WeakPolarHBondContact O-CG2 3.34Å; L91-V95 PolarHBondContact O-N 3.25Å; E92-V95 PolarHBondContact O-N 2.9Å; L93-V95 PolarHBondContact O-N 2.79Å; V95-E97 VanDerWaalsContact C-N 3.33Å; V95-E97 PolarHBondContact O-N 2.99Å; V95-Q98 PolarHBondContact O-N 3.24Å; V95-F99 WeakPolarHBondContact O-CB 3.48Å; V95-F99 PolarHBondContact O-N 3.06Å
96	L	65.3	Low	63.6	Low	10 Å²	10	80.1 Å²	80.1	5%	0.052	40%	0.404	C	S	.	.	H	α-helix	trans	-59.7	-43.2	176.4	178	60	0	0	0	111.2	F47 E92 L93 F99 L100 A122	F47-L96 HydrophobicContact CZ-CD2 4.41Å; E92-L96 WeakPolarHBondContact O-CB 3.39Å; E92-L96 PolarHBondContact O-N 3.35Å; L93-L96 PolarHBondContact O-N 3.32Å; L96-F99 PolarHBondContact O-N 2.83Å; L96-L100 HydrophobicContact CD1-CD1 4.08Å; L96-L100 HydrophobicContact CD1-CG 4.35Å; L96-L100 HydrophobicContact CG-CD1 4.02Å; L96-L100 WeakPolarHBondContact O-CB 3.4Å; L96-L100 WeakPolarHBondContact O-CD1 3.45Å; L96-L100 WeakPolarHBondContact O-CG 3.49Å; L96-L100 PolarHBondContact O-N 3.2Å; L96-A122 HydrophobicContact CD1-CB 3.5Å; L96-A122 VanDerWaalsContact CD1-CB 3.5Å
97	E	63.1	Low	63.7	Low	34 Å²	34	78.6 Å²	78.6	16%	0.159	39%	0.392	C	S	.	.	H	α-helix	trans	-68	-45.5	174.8	179.2	163	-112.9	0	0	113	F54 W79 L93 V95 F99 L100 T101	F54-E97 WeakPolarHBondContact CD1-OE1 3.44Å; F54-E97 VanDerWaalsContact CE1-CD 3.44Å; F54-E97 VanDerWaalsContact CE1-OE1 3.29Å; F54-E97 WeakPolarHBondContact CE1-OE1 3.47Å; F54-E97 WeakPolarHBondContact CE1-OE2 3.48Å; W79-E97 WeakPolarHBondContact CZ2-OE2 3.49Å; L93-E97 WeakPolarHBondContact O-CB 3.45Å; L93-E97 PolarHBondContact O-N 3.36Å; V95-E97 VanDerWaalsContact C-N 3.33Å; V95-E97 PolarHBondContact O-N 2.99Å; E97-F99 PolarHBondContact O-N 2.8Å; E97-L100 PolarHBondContact O-N 3.48Å; E97-T101 WeakPolarHBondContact O-CG2 3.3Å; E97-T101 PolarHBondContact O-N 2.87Å; E97-T101 PolarHBondContact O-OG1 2.9Å; E97-T101 VanDerWaalsContact O-OG1 3.05Å
98	Q	66.4	Low	64	Low	115 Å²	115	73.3 Å²	73.3	54%	0.537	37%	0.37	S	S	.	.	H	α-helix	trans	-64.1	-29.7	177	-175.1	58.7	92.9	0	0	112	L94 V95 T101 I102	L94-Q98 WeakPolarHBondContact O-CB 3.44Å; L94-Q98 PolarHBondContact O-N 2.9Å; V95-Q98 PolarHBondContact O-N 3.24Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.47Å; Q98-T101 PolarHBondContact NE2-OG1 3.33Å; Q98-T101 VanDerWaalsContact NE2-OG1 3.1Å; Q98-T101 PolarHBondContact O-OG1 3.31Å; Q98-I102 HydrophobicContact CG-CD1 4.4Å; Q98-I102 VanDerWaalsContact O-CD1 3.23Å; Q98-I102 WeakPolarHBondContact O-CD1 3.2Å; Q98-I102 VanDerWaalsContact O-CG1 3.27Å; Q98-I102 WeakPolarHBondContact O-CG1 3.39Å
99	F	63.7	Low	64.3	Low	64 Å²	64	70.7 Å²	70.7	28%	0.281	37%	0.366	S	S	.	.	H	α-helix	trans	-72.9	-48.6	173.2	-179.2	-119.1	0	0	0	111.6	V95 L96 E97 T101 I102 L103 A122 V123 I126	V95-F99 WeakPolarHBondContact O-CB 3.48Å; V95-F99 PolarHBondContact O-N 3.06Å; L96-F99 PolarHBondContact O-N 2.83Å; E97-F99 PolarHBondContact O-N 2.8Å; F99-T101 PolarHBondContact O-N 2.98Å; F99-I102 PolarHBondContact O-N 3.33Å; F99-L103 HydrophobicContact CD1-CD1 4.16Å; F99-L103 HydrophobicContact CE1-CD1 3.97Å; F99-L103 HydrophobicContact CE2-CD2 4.35Å; F99-L103 HydrophobicContact CZ-CD1 4.31Å; F99-L103 HydrophobicContact CZ-CD2 4.22Å; F99-L103 PolarHBondContact O-N 3.14Å; F99-A122 HydrophobicContact CD1-CB 4.5Å; F99-A122 HydrophobicContact CE1-CB 4.3Å; F99-V123 HydrophobicContact CE1-CG2 3.9Å; F99-V123 HydrophobicContact CE2-CG2 4.41Å; F99-V123 HydrophobicContact CZ-CG2 3.67Å; F99-I126 HydrophobicContact CE1-CD1 3.4Å; F99-I126 HydrophobicContact CZ-CD1 3.5Å
100	L	62.9	Low	64.7	Low	11 Å²	11	71.6 Å²	71.6	6%	0.058	37%	0.366	C	S	.	.	H	α-helix	trans	-58.6	-32.6	177.1	-77.3	166.5	0	0	0	113.4	Y51 L96 E97 I102 L103 Q108 V111	Y51-L100 HydrophobicContact CE2-CD1 4.2Å; Y51-L100 WeakPolarHBondContact OH-CD1 3.32Å; L96-L100 HydrophobicContact CD1-CD1 4.08Å; L96-L100 HydrophobicContact CD1-CG 4.35Å; L96-L100 HydrophobicContact CG-CD1 4.02Å; L96-L100 WeakPolarHBondContact O-CB 3.4Å; L96-L100 WeakPolarHBondContact O-CD1 3.45Å; L96-L100 WeakPolarHBondContact O-CG 3.49Å; L96-L100 PolarHBondContact O-N 3.2Å; E97-L100 PolarHBondContact O-N 3.48Å; L100-I102 VanDerWaalsContact C-N 3.32Å; L100-L103 HydrophobicContact CD2-CD1 4.33Å; L100-Q108 WeakPolarHBondContact O-CG 3.31Å; L100-Q108 PolarHBondContact O-NE2 2.92Å; L100-V111 HydrophobicContact CD2-CB 4.05Å; L100-V111 HydrophobicContact CD2-CG1 3.7Å
101	T	62.6	Low	64.7	Low	87 Å²	87	70.5 Å²	70.5	53%	0.534	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-14.5	175.5	49.4	0	0	0	0	114.5	E97 Q98 F99	E97-T101 WeakPolarHBondContact O-CG2 3.3Å; E97-T101 PolarHBondContact O-N 2.87Å; E97-T101 PolarHBondContact O-OG1 2.9Å; E97-T101 VanDerWaalsContact O-OG1 3.05Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.47Å; Q98-T101 PolarHBondContact NE2-OG1 3.33Å; Q98-T101 VanDerWaalsContact NE2-OG1 3.1Å; Q98-T101 PolarHBondContact O-OG1 3.31Å; F99-T101 PolarHBondContact O-N 2.98Å
102	I	65.4	Low	64.7	Low	126 Å²	126	71.9 Å²	71.9	65%	0.646	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-23	178.7	-67.9	169	0	0	0	111.7	Q98 F99 L100	Q98-I102 HydrophobicContact CG-CD1 4.4Å; Q98-I102 VanDerWaalsContact O-CD1 3.23Å; Q98-I102 WeakPolarHBondContact O-CD1 3.2Å; Q98-I102 VanDerWaalsContact O-CG1 3.27Å; Q98-I102 WeakPolarHBondContact O-CG1 3.39Å; F99-I102 PolarHBondContact O-N 3.33Å; L100-I102 VanDerWaalsContact C-N 3.32Å
103	L	65.8	Low	64.8	Low	24 Å²	24	74.4 Å²	74.4	13%	0.126	37%	0.372	C	S	.	.	S	Bend	trans	-69.1	146.6	-179.9	-69.7	169.3	0	0	0	112.8	F99 L100 Q108 I126	F99-L103 HydrophobicContact CD1-CD1 4.16Å; F99-L103 HydrophobicContact CE1-CD1 3.97Å; F99-L103 HydrophobicContact CE2-CD2 4.35Å; F99-L103 HydrophobicContact CZ-CD1 4.31Å; F99-L103 HydrophobicContact CZ-CD2 4.22Å; F99-L103 PolarHBondContact O-N 3.14Å; L100-L103 HydrophobicContact CD2-CD1 4.33Å; L103-Q108 HydrophobicContact CB-CG 3.99Å; L103-Q108 WeakPolarHBondContact O-CG 3.48Å; L103-Q108 PolarHBondContact O-NE2 3.32Å; L103-I126 HydrophobicContact CD1-CD1 3.46Å; L103-I126 VanDerWaalsContact CD1-CD1 3.46Å; L103-I126 HydrophobicContact CD1-CG1 4.48Å; L103-I126 HydrophobicContact CD2-CD1 3.88Å; L103-I126 HydrophobicContact CG-CD1 4.33Å
104	P	67.7	Low	64.8	Low	77 Å²	77	77.1 Å²	77.1	50%	0.5	38%	0.383	S	S	.	.			trans	-60.3	147.3	170.6	-19.6	31.3	0	0	0	112	E106 F107 Q108	P104-E106 PolarHBondContact O-N 3.34Å; P104-E106 VanDerWaalsContact O-N 3.11Å; P104-F107 HydrophobicContact CB-CD2 4.19Å; P104-F107 HydrophobicContact CG-CD2 4.11Å; P104-F107 PolarHBondContact O-N 3.08Å; P104-Q108 PolarHBondContact O-N 3.17Å
105	E	60.9	Low	64.5	Low	162 Å²	162	78.8 Å²	78.8	76%	0.757	39%	0.389	S	S	*	.	H	α-helix	trans	-55.1	-35.1	-172.1	-60.3	-170.4	145.8	0	0	113.8	F107 Q108 A109	E105-F107 PolarHBondContact O-N 2.84Å; E105-Q108 PolarHBondContact O-N 3.15Å; E105-A109 PolarHBondContact O-N 3.41Å
106	E	62.6	Low	64.2	Low	154 Å²	154	74.9 Å²	74.9	72%	0.72	37%	0.365	S	S	*	.	H	α-helix	trans	-56.6	-47.8	175.2	-63	175.3	-168.3	0	0	112.2	P104	P104-E106 PolarHBondContact O-N 3.34Å; P104-E106 VanDerWaalsContact O-N 3.11Å
107	F	63.6	Low	63.6	Low	34 Å²	34	79.8 Å²	79.8	15%	0.149	39%	0.388	C	S	.	.	H	α-helix	trans	-74.9	-34.3	177.9	-67.5	-79.6	0	0	0	111.8	P104 E105 A109 W110 V111 I126 I129 Q130 L133	P104-F107 HydrophobicContact CB-CD2 4.19Å; P104-F107 HydrophobicContact CG-CD2 4.11Å; P104-F107 PolarHBondContact O-N 3.08Å; E105-F107 PolarHBondContact O-N 2.84Å; F107-A109 PolarHBondContact O-N 3.24Å; F107-W110 PolarHBondContact O-N 3.5Å; F107-V111 WeakPolarHBondContact O-CG2 3.42Å; F107-V111 PolarHBondContact O-N 3.31Å; F107-I126 HydrophobicContact CD1-CG2 4.33Å; F107-I129 HydrophobicContact CD1-CG2 4.22Å; F107-I129 HydrophobicContact CE1-CB 4.45Å; F107-I129 HydrophobicContact CE1-CG2 3.9Å; F107-Q130 HydrophobicContact CE1-CG 4.06Å; F107-Q130 HydrophobicContact CZ-CG 4.26Å; F107-L133 HydrophobicContact CE1-CD1 3.98Å; F107-L133 HydrophobicContact CZ-CD1 3.86Å
108	Q	66.1	Low	63.5	Low	39 Å²	39	79.6 Å²	79.6	18%	0.182	39%	0.39	C	S	.	.	H	α-helix	trans	-60	-30.8	176.3	-63.8	-175.4	21	0	0	112.8	L100 L103 P104 E105 R112	L100-Q108 WeakPolarHBondContact O-CG 3.31Å; L100-Q108 PolarHBondContact O-NE2 2.92Å; L103-Q108 HydrophobicContact CB-CG 3.99Å; L103-Q108 WeakPolarHBondContact O-CG 3.48Å; L103-Q108 PolarHBondContact O-NE2 3.32Å; P104-Q108 PolarHBondContact O-N 3.17Å; E105-Q108 PolarHBondContact O-N 3.15Å; Q108-R112 WeakPolarHBondContact O-CB 3.38Å; Q108-R112 VanDerWaalsContact O-CG 3.27Å; Q108-R112 WeakPolarHBondContact O-CG 3.41Å; Q108-R112 PolarHBondContact O-N 2.81Å; Q108-R112 PolarHBondContact O-NE 2.87Å
109	A	65.2	Low	63.2	Low	51 Å²	51	75 Å²	75	42%	0.421	37%	0.374	S	S	.	.	H	α-helix	trans	-67.4	-50.9	176.1	0	0	0	0	0	111.4	E105 F107 R112 E113	E105-A109 PolarHBondContact O-N 3.41Å; F107-A109 PolarHBondContact O-N 3.24Å; A109-R112 PolarHBondContact O-N 3.46Å; A109-E113 PolarHBondContact O-N 3.05Å
110	W	63.1	Low	63.4	Low	108 Å²	108	80 Å²	80	41%	0.409	40%	0.398	S	S	.	.	H	α-helix	trans	-64.6	-41.7	179.7	-79.6	62	0	0	0	113.1	F107 R112 E113 H114 I129	F107-W110 PolarHBondContact O-N 3.5Å; W110-R112 VanDerWaalsContact C-N 3.26Å; W110-R112 PolarHBondContact O-N 2.9Å; W110-E113 WeakPolarHBondContact O-CB 3.41Å; W110-E113 PolarHBondContact O-N 3.19Å; W110-E113 VanDerWaalsContact O-N 3.07Å; W110-H114 PolarHBondContact O-CD2 2.97Å; W110-H114 VanDerWaalsContact O-CD2 3.31Å; W110-H114 PolarHBondContact O-N 3.44Å; W110-I129 HydrophobicContact CB-CD1 3.65Å; W110-I129 HydrophobicContact CD2-CD1 4.02Å; W110-I129 HydrophobicContact CD2-CG1 4.32Å; W110-I129 HydrophobicContact CD2-CG2 4.38Å; W110-I129 HydrophobicContact CE3-CD1 3.55Å; W110-I129 HydrophobicContact CE3-CG1 3.55Å; W110-I129 HydrophobicContact CE3-CG2 4.2Å; W110-I129 HydrophobicContact CG-CD1 4.12Å; W110-I129 HydrophobicContact CZ3-CD1 4.4Å; W110-I129 HydrophobicContact CZ3-CG1 3.9Å; W110-I129 HydrophobicContact CZ3-CG2 4.35Å
111	V	65.1	Low	63.6	Low	3 Å²	3	84 Å²	84	2%	0.018	42%	0.416	C	S	.	.	H	α-helix	trans	-67.3	-31	178.5	-177	0	0	0	0	111	L100 F107 H115 P116 A122 V125 I126	L100-V111 HydrophobicContact CD2-CB 4.05Å; L100-V111 HydrophobicContact CD2-CG1 3.7Å; F107-V111 WeakPolarHBondContact O-CG2 3.42Å; F107-V111 PolarHBondContact O-N 3.31Å; V111-H115 PolarHBondContact O-N 3.15Å; V111-P116 HydrophobicContact CG1-CG 3.88Å; V111-P116 WeakPolarHBondContact O-CD 3.34Å; V111-A122 HydrophobicContact CG1-CB 4.17Å; V111-V125 HydrophobicContact CG2-CG1 4.29Å; V111-I126 HydrophobicContact CG2-CD1 3.91Å; V111-I126 HydrophobicContact CG2-CG1 3.48Å; V111-I126 VanDerWaalsContact CG2-CG1 3.48Å
112	R	64	Low	63.9	Low	112 Å²	112	79.9 Å²	79.9	42%	0.423	39%	0.391	S	S	.	.	H	α-helix	trans	-69.8	-33.8	169.4	-78	-178.4	-103.8	145.3	-10.5	112.8	Q108 A109 W110 H115	Q108-R112 WeakPolarHBondContact O-CB 3.38Å; Q108-R112 VanDerWaalsContact O-CG 3.27Å; Q108-R112 WeakPolarHBondContact O-CG 3.41Å; Q108-R112 PolarHBondContact O-N 2.81Å; Q108-R112 PolarHBondContact O-NE 2.87Å; A109-R112 PolarHBondContact O-N 3.46Å; W110-R112 VanDerWaalsContact C-N 3.26Å; W110-R112 PolarHBondContact O-N 2.9Å; R112-H115 PolarHBondContact O-CE1 2.89Å; R112-H115 PolarHBondContact O-ND1 3.37Å
113	E	68.6	Low	64	Low	144 Å²	144	76.5 Å²	76.5	67%	0.673	38%	0.376	S	S	*	.	H	α-helix	trans	-68.3	-36.4	175	-169	166.6	-174.4	0	0	112.3	A109 W110 H115	A109-E113 PolarHBondContact O-N 3.05Å; W110-E113 WeakPolarHBondContact O-CB 3.41Å; W110-E113 PolarHBondContact O-N 3.19Å; W110-E113 VanDerWaalsContact O-N 3.07Å; E113-H115 PolarHBondContact O-ND1 2.74Å
114	H	64.1	Low	64.5	Low	104 Å²	104	77.9 Å²	77.9	48%	0.481	39%	0.391	S	S	.	.	H	α-helix	trans	-83	-10	-178.9	-76.9	-67.9	0	0	0	116.4	W110 V125	W110-H114 PolarHBondContact O-CD2 2.97Å; W110-H114 VanDerWaalsContact O-CD2 3.31Å; W110-H114 PolarHBondContact O-N 3.44Å; H114-V125 HydrophobicContact CB-CG1 4.08Å; H114-V125 HydrophobicContact CB-CG2 4.15Å
115	H	59.2	Low	64.8	Low	104 Å²	104	75.5 Å²	75.5	48%	0.481	38%	0.375	S	S	.	.			trans	49.6	51.3	173.1	-61.7	70.7	0	0	0	116.2	V111 R112 E113 E117	V111-H115 PolarHBondContact O-N 3.15Å; R112-H115 PolarHBondContact O-CE1 2.89Å; R112-H115 PolarHBondContact O-ND1 3.37Å; E113-H115 PolarHBondContact O-ND1 2.74Å; H115-E117 PolarHBondContact O-N 2.77Å
116	P	61.8	Low	65.3	Low	9 Å²	9	68.2 Å²	68.2	6%	0.058	34%	0.341	C	S	.	.			trans	-62.2	132.5	-179.3	27.6	-35.6	0	0	0	112.4	V111 S118 E121 A122	V111-P116 HydrophobicContact CG1-CG 3.88Å; V111-P116 WeakPolarHBondContact O-CD 3.34Å; P116-S118 VanDerWaalsContact C-N 3.34Å; P116-E121 WeakPolarHBondContact CA-OE2 3.42Å; P116-E121 HydrophobicContact CB-CB 3.9Å; P116-E121 HydrophobicContact CB-CG 3.85Å; P116-A122 HydrophobicContact CB-CB 4.03Å; P116-A122 HydrophobicContact CG-CB 3.72Å
117	E	53.2	Low	66	Low	114 Å²	114	66.2 Å²	66.2	53%	0.533	33%	0.332	S	S	.	.	S	Bend	trans	-82.7	-9.3	176.7	-67.6	-160.6	164	0	0	112.5	R44 H115 E121	R44-E117 IonicContact CZ-OE1 3.92Å; R44-E117 VanDerWaalsContact CZ-OE1 3.22Å; R44-E117 IonicContact NH1-OE1 3.08Å; R44-E117 PolarHBondContact NH1-OE1 2.88Å; R44-E117 IonicContact NH2-OE1 3.93Å; R44-E117 PolarHBondContact NH2-OE1 2.87Å; R44-E117 IonicContact NH2-OE2 3.33Å; R44-E117 PolarHBondContact NH2-OE2 3.35Å; H115-E117 PolarHBondContact O-N 2.77Å; E117-E121 PolarHBondContact N-OE2 3.1Å
118	S	60.7	Low	66.6	Low	30 Å²	30	67.1 Å²	67.1	21%	0.21	34%	0.342	C	S	.	.	S	Bend	trans	-139.2	164	174.8	89.2	0	0	0	0	114.4	P116 E120 E121 A122	P116-S118 VanDerWaalsContact C-N 3.34Å; S118-E120 VanDerWaalsContact C-N 3.34Å; S118-E120 PolarHBondContact OG-N 3.25Å; S118-E121 PolarHBondContact O-N 2.83Å; S118-E121 PolarHBondContact OG-N 3.34Å; S118-A122 PolarHBondContact O-N 3.19Å; S118-A122 VanDerWaalsContact O-N 3.08Å
119	G	60.6	Low	66.9	Low	18 Å²	18	65.9 Å²	65.9	19%	0.186	34%	0.337	C	S	.	.	H	α-helix	trans	-65.7	-32.4	174.2	0	0	0	0	0	113.9	A122 V123	G119-A122 PolarHBondContact O-N 3.26Å; G119-V123 WeakPolarHBondContact O-CG2 3.36Å; G119-V123 PolarHBondContact O-N 2.91Å; G119-V123 VanDerWaalsContact O-N 3.14Å
120	E	67.3	Low	67.2	Low	169 Å²	169	68.1 Å²	68.1	79%	0.79	34%	0.338	S	S	*	.	H	α-helix	trans	-69	-39.1	176	-62.3	-178	164	0	0	111	S118 V123 A124	S118-E120 VanDerWaalsContact C-N 3.34Å; S118-E120 PolarHBondContact OG-N 3.25Å; E120-V123 PolarHBondContact O-N 2.84Å; E120-A124 WeakPolarHBondContact O-CB 3.44Å; E120-A124 PolarHBondContact O-N 3.16Å
121	E	68.1	Low	67.8	Low	96 Å²	96	69 Å²	69	45%	0.449	34%	0.342	S	S	.	.	H	α-helix	trans	-67.1	-39.2	175.9	-169.6	171.5	-138.5	0	0	111.6	P116 E117 S118 V123 A124 V125	P116-E121 WeakPolarHBondContact CA-OE2 3.42Å; P116-E121 HydrophobicContact CB-CB 3.9Å; P116-E121 HydrophobicContact CB-CG 3.85Å; E117-E121 PolarHBondContact N-OE2 3.1Å; S118-E121 PolarHBondContact O-N 2.83Å; S118-E121 PolarHBondContact OG-N 3.34Å; E121-V123 PolarHBondContact O-N 2.75Å; E121-A124 PolarHBondContact O-N 2.99Å; E121-V125 WeakPolarHBondContact O-CG2 3.42Å; E121-V125 PolarHBondContact O-N 3.17Å
122	A	67.8	Low	68.3	Low	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-61.9	-40.6	174	0	0	0	0	0	112.8	L96 F99 V111 P116 S118 G119 I126	L96-A122 HydrophobicContact CD1-CB 3.5Å; L96-A122 VanDerWaalsContact CD1-CB 3.5Å; F99-A122 HydrophobicContact CD1-CB 4.5Å; F99-A122 HydrophobicContact CE1-CB 4.3Å; V111-A122 HydrophobicContact CG1-CB 4.17Å; P116-A122 HydrophobicContact CB-CB 4.03Å; P116-A122 HydrophobicContact CG-CB 3.72Å; S118-A122 PolarHBondContact O-N 3.19Å; S118-A122 VanDerWaalsContact O-N 3.08Å; G119-A122 PolarHBondContact O-N 3.26Å; A122-I126 VanDerWaalsContact O-CD1 3.28Å; A122-I126 WeakPolarHBondContact O-CD1 3.31Å; A122-I126 VanDerWaalsContact O-CG1 3.29Å; A122-I126 WeakPolarHBondContact O-CG1 3.42Å; A122-I126 PolarHBondContact O-N 3.25Å
123	V	69.1	Low	68.4	Low	55 Å²	55	71.1 Å²	71.1	33%	0.333	36%	0.358	S	S	.	.	H	α-helix	trans	-64.9	-47.8	174	171.6	0	0	0	0	110.8	F99 G119 E120 E121 V125 I126 E127	F99-V123 HydrophobicContact CE1-CG2 3.9Å; F99-V123 HydrophobicContact CE2-CG2 4.41Å; F99-V123 HydrophobicContact CZ-CG2 3.67Å; G119-V123 WeakPolarHBondContact O-CG2 3.36Å; G119-V123 PolarHBondContact O-N 2.91Å; G119-V123 VanDerWaalsContact O-N 3.14Å; E120-V123 PolarHBondContact O-N 2.84Å; E121-V123 PolarHBondContact O-N 2.75Å; V123-V125 VanDerWaalsContact C-N 3.29Å; V123-V125 PolarHBondContact O-N 3.24Å; V123-I126 PolarHBondContact O-N 3.44Å; V123-E127 HydrophobicContact CG1-CG 4.22Å; V123-E127 WeakPolarHBondContact O-CG 3.28Å; V123-E127 PolarHBondContact O-N 3Å
124	A	76.1	Confident	68.8	Low	53 Å²	53	67.2 Å²	67.2	44%	0.438	34%	0.34	S	S	.	.	H	α-helix	trans	-60.6	-35.6	179.8	0	0	0	0	0	113.2	E120 E121 S128	E120-A124 WeakPolarHBondContact O-CB 3.44Å; E120-A124 PolarHBondContact O-N 3.16Å; E121-A124 PolarHBondContact O-N 2.99Å; A124-S128 WeakPolarHBondContact O-CB 3.3Å; A124-S128 PolarHBondContact O-N 3.29Å; A124-S128 VanDerWaalsContact O-N 3.09Å
125	V	72.8	Confident	69.3	Low	26 Å²	26	66.8 Å²	66.8	16%	0.158	34%	0.338	C	S	.	.	H	α-helix	trans	-61.1	-49.1	170.9	167	0	0	0	0	110.6	V111 H114 E121 V123 S128 I129	V111-V125 HydrophobicContact CG2-CG1 4.29Å; H114-V125 HydrophobicContact CB-CG1 4.08Å; H114-V125 HydrophobicContact CB-CG2 4.15Å; E121-V125 WeakPolarHBondContact O-CG2 3.42Å; E121-V125 PolarHBondContact O-N 3.17Å; V123-V125 VanDerWaalsContact C-N 3.29Å; V123-V125 PolarHBondContact O-N 3.24Å; V125-S128 WeakPolarHBondContact O-CB 3.28Å; V125-S128 PolarHBondContact O-N 2.95Å; V125-I129 HydrophobicContact CG1-CD1 3.69Å; V125-I129 WeakPolarHBondContact O-CD1 3.18Å; V125-I129 VanDerWaalsContact O-CG1 3.27Å; V125-I129 WeakPolarHBondContact O-CG1 3.45Å; V125-I129 PolarHBondContact O-N 3.09Å
126	I	71.5	Confident	69.7	Low	10 Å²	10	68.5 Å²	68.5	5%	0.051	34%	0.341	C	S	.	.	H	α-helix	trans	-64.2	-44.4	-179.2	-64	157.5	0	0	0	111.6	F99 L103 F107 V111 A122 V123 S128 I129 Q130	F99-I126 HydrophobicContact CE1-CD1 3.4Å; F99-I126 HydrophobicContact CZ-CD1 3.5Å; L103-I126 HydrophobicContact CD1-CD1 3.46Å; L103-I126 VanDerWaalsContact CD1-CD1 3.46Å; L103-I126 HydrophobicContact CD1-CG1 4.48Å; L103-I126 HydrophobicContact CD2-CD1 3.88Å; L103-I126 HydrophobicContact CG-CD1 4.33Å; F107-I126 HydrophobicContact CD1-CG2 4.33Å; V111-I126 HydrophobicContact CG2-CD1 3.91Å; V111-I126 HydrophobicContact CG2-CG1 3.48Å; V111-I126 VanDerWaalsContact CG2-CG1 3.48Å; A122-I126 VanDerWaalsContact O-CD1 3.28Å; A122-I126 WeakPolarHBondContact O-CD1 3.31Å; A122-I126 VanDerWaalsContact O-CG1 3.29Å; A122-I126 WeakPolarHBondContact O-CG1 3.42Å; A122-I126 PolarHBondContact O-N 3.25Å; V123-I126 PolarHBondContact O-N 3.44Å; I126-S128 PolarHBondContact O-N 3.06Å; I126-I129 PolarHBondContact O-N 3.3Å; I126-I129 VanDerWaalsContact O-N 3.15Å; I126-Q130 HydrophobicContact CG2-CG 4.21Å; I126-Q130 WeakPolarHBondContact O-CB 3.43Å; I126-Q130 WeakPolarHBondContact O-CG 3.34Å; I126-Q130 PolarHBondContact O-N 3.14Å
127	E	77.9	Confident	70	Confident	111 Å²	111	74.4 Å²	74.4	52%	0.519	36%	0.362	S	S	.	.	H	α-helix	trans	-59	-36.7	175.2	-71.7	-179.8	176	0	0	111.9	V123 R131	V123-E127 HydrophobicContact CG1-CG 4.22Å; V123-E127 WeakPolarHBondContact O-CG 3.28Å; V123-E127 PolarHBondContact O-N 3Å; E127-R131 WeakPolarHBondContact O-CB 3.15Å; E127-R131 PolarHBondContact O-N 3.4Å
128	S	76.1	Confident	70.8	Confident	54 Å²	54	74 Å²	74	38%	0.378	36%	0.36	S	S	.	.	H	α-helix	trans	-68.3	-40.2	175.4	-162.9	0	0	0	0	112.7	A124 V125 I126 R131 E132	A124-S128 WeakPolarHBondContact O-CB 3.3Å; A124-S128 PolarHBondContact O-N 3.29Å; A124-S128 VanDerWaalsContact O-N 3.09Å; V125-S128 WeakPolarHBondContact O-CB 3.28Å; V125-S128 PolarHBondContact O-N 2.95Å; I126-S128 PolarHBondContact O-N 3.06Å; S128-R131 PolarHBondContact O-N 3.32Å; S128-R131 PolarHBondContact OG-NH2 3.2Å; S128-E132 PolarHBondContact O-N 2.96Å
129	I	71.6	Confident	70.8	Confident	12 Å²	12	78.6 Å²	78.6	6%	0.062	38%	0.378	C	S	.	.	H	α-helix	trans	-70.3	-42.2	177.8	-60.7	159.9	0	0	0	110.6	F107 W110 V125 I126 R131 E132 L133	F107-I129 HydrophobicContact CD1-CG2 4.22Å; F107-I129 HydrophobicContact CE1-CB 4.45Å; F107-I129 HydrophobicContact CE1-CG2 3.9Å; W110-I129 HydrophobicContact CB-CD1 3.65Å; W110-I129 HydrophobicContact CD2-CD1 4.02Å; W110-I129 HydrophobicContact CD2-CG1 4.32Å; W110-I129 HydrophobicContact CD2-CG2 4.38Å; W110-I129 HydrophobicContact CE3-CD1 3.55Å; W110-I129 HydrophobicContact CE3-CG1 3.55Å; W110-I129 HydrophobicContact CE3-CG2 4.2Å; W110-I129 HydrophobicContact CG-CD1 4.12Å; W110-I129 HydrophobicContact CZ3-CD1 4.4Å; W110-I129 HydrophobicContact CZ3-CG1 3.9Å; W110-I129 HydrophobicContact CZ3-CG2 4.35Å; V125-I129 HydrophobicContact CG1-CD1 3.69Å; V125-I129 WeakPolarHBondContact O-CD1 3.18Å; V125-I129 VanDerWaalsContact O-CG1 3.27Å; V125-I129 WeakPolarHBondContact O-CG1 3.45Å; V125-I129 PolarHBondContact O-N 3.09Å; I126-I129 PolarHBondContact O-N 3.3Å; I126-I129 VanDerWaalsContact O-N 3.15Å; I129-R131 VanDerWaalsContact C-N 3.31Å; I129-R131 PolarHBondContact O-N 2.98Å; I129-E132 PolarHBondContact O-N 2.55Å; I129-L133 HydrophobicContact CG2-CD1 4.06Å; I129-L133 HydrophobicContact CG2-CG 4.45Å; I129-L133 WeakPolarHBondContact O-CB 3.45Å; I129-L133 WeakPolarHBondContact O-CG 3.3Å; I129-L133 PolarHBondContact O-N 3.11Å
130	Q	71.8	Confident	70.7	Confident	98 Å²	98	83.8 Å²	83.8	46%	0.458	40%	0.4	S	S	.	.	H	α-helix	trans	-60.2	-41.1	174.6	-74.9	-178.9	-11.6	0	0	111.5	F107 I126 L133 E134	F107-Q130 HydrophobicContact CE1-CG 4.06Å; F107-Q130 HydrophobicContact CZ-CG 4.26Å; I126-Q130 HydrophobicContact CG2-CG 4.21Å; I126-Q130 WeakPolarHBondContact O-CB 3.43Å; I126-Q130 WeakPolarHBondContact O-CG 3.34Å; I126-Q130 PolarHBondContact O-N 3.14Å; Q130-L133 PolarHBondContact O-N 2.89Å; Q130-E134 VanDerWaalsContact O-CB 3.31Å; Q130-E134 WeakPolarHBondContact O-CB 3.49Å; Q130-E134 PolarHBondContact O-N 2.84Å
131	R	77.3	Confident	70	Confident	128 Å²	128	80.9 Å²	80.9	48%	0.483	39%	0.394	S	S	.	.	H	α-helix	trans	-62.6	-44.4	173	177.6	172.7	59.5	-103.5	-1.7	112.2	E127 S128 I129 L133 E134 E135	E127-R131 WeakPolarHBondContact O-CB 3.15Å; E127-R131 PolarHBondContact O-N 3.4Å; S128-R131 PolarHBondContact O-N 3.32Å; S128-R131 PolarHBondContact OG-NH2 3.2Å; I129-R131 VanDerWaalsContact C-N 3.31Å; I129-R131 PolarHBondContact O-N 2.98Å; R131-L133 PolarHBondContact O-N 3.38Å; R131-E134 WeakPolarHBondContact O-CB 3.29Å; R131-E134 PolarHBondContact O-N 2.87Å; R131-E135 HydrophobicContact CG-CG 4.48Å; R131-E135 VanDerWaalsContact CG-OE1 3.24Å; R131-E135 WeakPolarHBondContact CG-OE1 3.35Å; R131-E135 WeakPolarHBondContact O-CB 3.23Å; R131-E135 WeakPolarHBondContact O-CG 3.43Å; R131-E135 PolarHBondContact O-N 2.93Å
132	E	74.3	Confident	68.9	Low	72 Å²	72	81.5 Å²	81.5	34%	0.336	41%	0.405	S	S	.	.	H	α-helix	trans	-65	-38.7	177.2	-158	-164	140.1	0	0	112.2	S128 I129 E135 R136	S128-E132 PolarHBondContact O-N 2.96Å; I129-E132 PolarHBondContact O-N 2.55Å; E132-E135 PolarHBondContact O-N 3.25Å; E132-R136 WeakPolarHBondContact O-CB 3.2Å; E132-R136 VanDerWaalsContact O-CG 3.28Å; E132-R136 WeakPolarHBondContact O-CG 3.41Å; E132-R136 PolarHBondContact O-N 3.43Å; E132-R136 IonicContact OE1-CZ 3.1Å; E132-R136 IonicContact OE1-NE 3.97Å; E132-R136 PolarHBondContact OE1-NE 3.32Å; E132-R136 IonicContact OE1-NH2 3.69Å; E132-R136 PolarHBondContact OE1-NH2 3.07Å
133	L	67.4	Low	67.7	Low	86 Å²	86	86.2 Å²	86.2	45%	0.45	44%	0.436	S	S	.	.	H	α-helix	trans	-65.9	-36.6	174	-71.8	169.9	0	0	0	112.4	F107 I129 Q130 R131 R137	F107-L133 HydrophobicContact CE1-CD1 3.98Å; F107-L133 HydrophobicContact CZ-CD1 3.86Å; I129-L133 HydrophobicContact CG2-CD1 4.06Å; I129-L133 HydrophobicContact CG2-CG 4.45Å; I129-L133 WeakPolarHBondContact O-CB 3.45Å; I129-L133 WeakPolarHBondContact O-CG 3.3Å; I129-L133 PolarHBondContact O-N 3.11Å; Q130-L133 PolarHBondContact O-N 2.89Å; R131-L133 PolarHBondContact O-N 3.38Å; L133-R137 WeakPolarHBondContact O-CB 3.32Å; L133-R137 PolarHBondContact O-N 2.68Å
134	E	75.4	Confident	66.4	Low	63 Å²	63	89 Å²	89	29%	0.294	46%	0.456	S	S	.	.	H	α-helix	trans	-65.9	-48.3	173.5	-176.4	61.2	-131.4	0	0	111.1	Q130 R131 R137 Q138	Q130-E134 VanDerWaalsContact O-CB 3.31Å; Q130-E134 WeakPolarHBondContact O-CB 3.49Å; Q130-E134 PolarHBondContact O-N 2.84Å; R131-E134 WeakPolarHBondContact O-CB 3.29Å; R131-E134 PolarHBondContact O-N 2.87Å; E134-R137 PolarHBondContact O-N 2.9Å; E134-R137 VanDerWaalsContact O-N 3.14Å; E134-R137 IonicContact OE1-CZ 3.11Å; E134-R137 IonicContact OE1-NH1 2.69Å; E134-R137 IonicContact OE1-NH2 2.72Å; E134-R137 PolarHBondContact OE1-NH2 3.22Å; E134-R137 IonicContact OE2-CZ 3.3Å; E134-R137 IonicContact OE2-NH1 2.8Å; E134-R137 PolarHBondContact OE2-NH1 3.4Å; E134-R137 IonicContact OE2-NH2 3.44Å; E134-R137 PolarHBondContact OE2-NH2 3.15Å; E134-Q138 WeakPolarHBondContact O-CG 3.36Å; E134-Q138 PolarHBondContact O-N 2.94Å; E134-Q138 PolarHBondContact OE1-NE2 2.86Å
135	E	76.3	Confident	64.6	Low	94 Å²	94	94.9 Å²	94.9	44%	0.439	47%	0.474	S	S	.	.	H	α-helix	trans	-60.7	-46.1	176.3	-73.4	173	-160.5	0	0	111.8	R131 E132 R137 Q138 Q139	R131-E135 HydrophobicContact CG-CG 4.48Å; R131-E135 VanDerWaalsContact CG-OE1 3.24Å; R131-E135 WeakPolarHBondContact CG-OE1 3.35Å; R131-E135 WeakPolarHBondContact O-CB 3.23Å; R131-E135 WeakPolarHBondContact O-CG 3.43Å; R131-E135 PolarHBondContact O-N 2.93Å; E132-E135 PolarHBondContact O-N 3.25Å; E135-R137 VanDerWaalsContact C-N 3.33Å; E135-R137 PolarHBondContact O-N 3.28Å; E135-Q138 PolarHBondContact O-N 3.05Å; E135-Q139 WeakPolarHBondContact O-CG 3.25Å; E135-Q139 PolarHBondContact O-N 2.87Å
136	R	67.4	Low	63	Low	140 Å²	140	99.7 Å²	99.7	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-60	-40.3	172.7	-73.7	175.8	-177.4	-132.1	9.9	111.8	E132 Q139 I140	E132-R136 WeakPolarHBondContact O-CB 3.2Å; E132-R136 VanDerWaalsContact O-CG 3.28Å; E132-R136 WeakPolarHBondContact O-CG 3.41Å; E132-R136 PolarHBondContact O-N 3.43Å; E132-R136 IonicContact OE1-CZ 3.1Å; E132-R136 IonicContact OE1-NE 3.97Å; E132-R136 PolarHBondContact OE1-NE 3.32Å; E132-R136 IonicContact OE1-NH2 3.69Å; E132-R136 PolarHBondContact OE1-NH2 3.07Å; R136-Q139 PolarHBondContact O-N 3.18Å; R136-I140 WeakPolarHBondContact O-CG1 3.43Å; R136-I140 PolarHBondContact O-N 2.77Å
137	R	67.8	Low	61.5	Low	134 Å²	134	106.2 Å²	106.2	51%	0.506	54%	0.537	S	S	.	.	H	α-helix	trans	-66.6	-36.8	176.6	-163	176.5	77.8	-108.5	-0.9	111.9	L133 E134 E135 I140 T141	L133-R137 WeakPolarHBondContact O-CB 3.32Å; L133-R137 PolarHBondContact O-N 2.68Å; E134-R137 PolarHBondContact O-N 2.9Å; E134-R137 VanDerWaalsContact O-N 3.14Å; E134-R137 IonicContact OE1-CZ 3.11Å; E134-R137 IonicContact OE1-NH1 2.69Å; E134-R137 IonicContact OE1-NH2 2.72Å; E134-R137 PolarHBondContact OE1-NH2 3.22Å; E134-R137 IonicContact OE2-CZ 3.3Å; E134-R137 IonicContact OE2-NH1 2.8Å; E134-R137 PolarHBondContact OE2-NH1 3.4Å; E134-R137 IonicContact OE2-NH2 3.44Å; E134-R137 PolarHBondContact OE2-NH2 3.15Å; E135-R137 VanDerWaalsContact C-N 3.33Å; E135-R137 PolarHBondContact O-N 3.28Å; R137-I140 PolarHBondContact O-N 2.86Å; R137-T141 WeakPolarHBondContact O-CB 3.44Å; R137-T141 PolarHBondContact O-N 3.28Å; R137-T141 PolarHBondContact O-OG1 2.92Å
138	Q	69.8	Low	59.7	Low	106 Å²	106	106.3 Å²	106.3	50%	0.495	55%	0.548	S	S	.	.	H	α-helix	trans	-70.8	-35	175.7	-68.8	177.4	23.1	0	0	112.4	E134 E135 T141 T142	E134-Q138 WeakPolarHBondContact O-CG 3.36Å; E134-Q138 PolarHBondContact O-N 2.94Å; E134-Q138 PolarHBondContact OE1-NE2 2.86Å; E135-Q138 PolarHBondContact O-N 3.05Å; Q138-T141 PolarHBondContact O-N 2.62Å; Q138-T142 WeakPolarHBondContact O-CG2 3.41Å; Q138-T142 PolarHBondContact O-N 3.43Å; Q138-T142 VanDerWaalsContact O-N 3.07Å; Q138-T142 PolarHBondContact O-OG1 2.6Å
139	Q	61	Low	57.7	Low	125 Å²	125	112.3 Å²	112.3	58%	0.584	57%	0.57	S	S	*	*	H	α-helix	trans	-63.2	-39.4	169.7	-70.1	169.6	22.3	0	0	112.2	E135 R136 T142	E135-Q139 WeakPolarHBondContact O-CG 3.25Å; E135-Q139 PolarHBondContact O-N 2.87Å; R136-Q139 PolarHBondContact O-N 3.18Å; Q139-T142 WeakPolarHBondContact CA-OG1 3.29Å; Q139-T142 PolarHBondContact O-OG1 2.96Å; Q139-T142 VanDerWaalsContact O-OG1 3.11Å
140	I	58.4	Low	55.9	Low	128 Å²	128	120.8 Å²	120.8	66%	0.656	61%	0.606	S	S	*	*	H	α-helix	trans	-66.9	-41	172.7	-66.5	162.1	0	0	0	111.1	R136 R137 T142 C143	R136-I140 WeakPolarHBondContact O-CG1 3.43Å; R136-I140 PolarHBondContact O-N 2.77Å; R137-I140 PolarHBondContact O-N 2.86Å; I140-T142 VanDerWaalsContact C-N 3.26Å; I140-T142 PolarHBondContact O-N 3.36Å; I140-C143 PolarHBondContact O-N 3.15Å
141	T	52.4	Low	53.7	Low	108 Å²	108	123 Å²	123	66%	0.663	63%	0.626	S	S	*	*	H	α-helix	trans	-72.9	-15.2	-176.7	-50.7	0	0	0	0	113.2	R137 Q138	R137-T141 WeakPolarHBondContact O-CB 3.44Å; R137-T141 PolarHBondContact O-N 3.28Å; R137-T141 PolarHBondContact O-OG1 2.92Å; Q138-T141 PolarHBondContact O-N 2.62Å
142	T	44.3	Very low	51.4	Low	109 Å²	109	123.4 Å²	123.4	67%	0.669	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	0.1	179.1	39.2	0	0	0	0	114.3	Q138 Q139 I140 P144	Q138-T142 WeakPolarHBondContact O-CG2 3.41Å; Q138-T142 PolarHBondContact O-N 3.43Å; Q138-T142 VanDerWaalsContact O-N 3.07Å; Q138-T142 PolarHBondContact O-OG1 2.6Å; Q139-T142 WeakPolarHBondContact CA-OG1 3.29Å; Q139-T142 PolarHBondContact O-OG1 2.96Å; Q139-T142 VanDerWaalsContact O-OG1 3.11Å; I140-T142 VanDerWaalsContact C-N 3.26Å; I140-T142 PolarHBondContact O-N 3.36Å; T142-P144 VanDerWaalsContact O-CD 3.3Å; T142-P144 WeakPolarHBondContact O-CD 3.02Å
143	C	43.3	Very low	50.2	Low	98 Å²	98	125.4 Å²	125.4	66%	0.662	66%	0.662	S	S	*	*	S	Bend	trans	-96.9	105	170.7	-72.1	0	0	0	0	110.7	I140 E145	I140-C143 PolarHBondContact O-N 3.15Å; C143-E145 PolarHBondContact O-N 3.14Å
144	P	42.7	Very low	48.3	Very low	115 Å²	115	127.3 Å²	127.3	75%	0.747	68%	0.683	S	S	*	*			trans	-74.2	115	176.4	29.4	-33.5	0	0	0	110.9	T142 V146	T142-P144 VanDerWaalsContact O-CD 3.3Å; T142-P144 WeakPolarHBondContact O-CD 3.02Å; P144-V146 PolarHBondContact O-N 2.86Å; P144-V146 VanDerWaalsContact O-N 3.09Å
145	E	36.8	Very low	45.9	Very low	176 Å²	176	127.5 Å²	127.5	82%	0.822	70%	0.702	S	S	*	*			trans	-70.6	103.9	177.6	-170.6	175.3	-176.5	0	0	111.2	C143 L147	C143-E145 PolarHBondContact O-N 3.14Å; E145-L147 PolarHBondContact O-N 2.84Å
146	V	40.5	Very low	43.6	Very low	127 Å²	127	127.8 Å²	127.8	77%	0.77	72%	0.72	S	S	*	*			trans	-79	108.1	172.5	178	0	0	0	0	109.2	P144 P148	P144-V146 PolarHBondContact O-N 2.86Å; P144-V146 VanDerWaalsContact O-N 3.09Å; V146-P148 WeakPolarHBondContact O-CD 3.3Å
147	L	39.5	Very low	41.6	Very low	146 Å²	146	127.1 Å²	127.1	76%	0.764	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-80.9	120.5	167	-83.2	169	0	0	0	111.6	E145	E145-L147 PolarHBondContact O-N 2.84Å
148	P	40.8	Very low	39.6	Very low	114 Å²	114	129.5 Å²	129.5	74%	0.74	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-101.2	135.7	153.4	35.4	-30.3	0	0	0	110.6	V146	V146-P148 WeakPolarHBondContact O-CD 3.3Å
149	Q	33.5	Very low	37.4	Very low	180 Å²	180	132.3 Å²	132.3	84%	0.841	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-91.9	155.4	171.6	-68.7	-166.8	-2.9	0	0	112.5
150	K	32.7	Very low	36.5	Very low	190 Å²	190	130.9 Å²	130.9	83%	0.826	76%	0.763	S	S	*	*			trans	77.5	100.2	140.1	-170	-174.7	-173.6	178.9	0	119.2
151	T	25.9	Very low	34.9	Very low	143 Å²	143	132.9 Å²	132.9	88%	0.877	77%	0.767	S	S	*	*				-160.6	149.5	129.7	15.6	0	0	0	0	113.2
152	V	29.5	Very low	33.7	Very low	137 Å²	137	132.1 Å²	132.1	83%	0.83	77%	0.767	S	S	*	*			trans	-158	149.6	177.9	167.2	0	0	0	0	105.5
153	P	49	Very low	33	Very low	114 Å²	114	133.6 Å²	133.6	74%	0.74	77%	0.766	S	S	*	*			cis	-129.5	-178	1.8	34.6	-15.3	0	0	0	116
154	S	26.7	Very low	32.6	Very low	126 Å²	126	136 Å²	136	88%	0.881	77%	0.767	S	S	*	*				134.5	143.2	119.9	-155	0	0	0	0	117.7
155	G	25.8	Very low	31.7	Very low	68 Å²	68	139 Å²	139	70%	0.701	77%	0.769	S	S	*	*			trans	97.9	107.7	178	0	0	0	0	0	113.6
156	A	28.1	Very low	31.2	Very low	99 Å²	99	138.3 Å²	138.3	82%	0.818	77%	0.77	S	S	*	*				70.2	126.9	57	0	0	0	0	0	112.4
157	T	24.7	Very low	32	Very low	126 Å²	126	137.6 Å²	137.6	77%	0.773	77%	0.768	S	S	*	*			cis	-156.5	145.3	11.3	-38.1	0	0	0	0	107.9
158	Q	26	Very low	31.4	Very low	184 Å²	184	136.4 Å²	136.4	86%	0.86	77%	0.767	S	S	*	*				173.8	151.1	95.6	-85.2	-178	-2.3	0	0	112.6
159	E	24.1	Very low	30.7	Very low	166 Å²	166	138.7 Å²	138.7	78%	0.776	77%	0.767	S	S	*	*			trans	-107.7	179.4	166.8	-93.1	-82.3	134.7	0	0	108
160	P	42.3	Very low	30.4	Very low	94 Å²	94	133.9 Å²	133.9	61%	0.61	76%	0.758	S	S	*	*			cis	-149.5	-172.8	28.5	31.1	-3.2	0	0	0	120
161	F	23.6	Very low	30.2	Very low	170 Å²	170	133.9 Å²	133.9	75%	0.746	76%	0.761	S	S	*	*			trans	95.6	110.5	164.7	-63.4	-77.6	0	0	0	116.3
162	S	28.4	Very low	30	Very low	93 Å²	93	131.3 Å²	131.3	65%	0.65	75%	0.749	S	S	*	*			cis	79.5	138.5	48.1	-57	0	0	0	0	114
163	H	29.7	Very low	29.7	Very low	140 Å²	140	131 Å²	131	65%	0.648	74%	0.743	S	S	*	*			cis	-137	148.3	27.3	-81.3	-91	0	0	0	112.4
164	Q	35.5	Very low	28.5	Very low	148 Å²	148	134.3 Å²	134.3	69%	0.692	75%	0.748	S	S	*	*				60.4	140.3	84.7	-60.5	174.6	-23	0	0	115.4
165	F	22.3	Very low	28.4	Very low	178 Å²	178	136.4 Å²	136.4	78%	0.781	74%	0.744	S	S	*	*				-149.2	171.9	50.9	-87.7	-95.1	0	0	0	116.8
166	L	27	Very low	29.1	Very low	162 Å²	162	137.7 Å²	137.7	85%	0.848	74%	0.74	S	S	*	*			trans	-146.6	-162	164.9	-62.4	174.5	0	0	0	107
167	P	57.4	Low	29.1	Very low	111 Å²	111	140.1 Å²	140.1	72%	0.721	73%	0.734	S	S	*	*			cis	-126.9	-159.2	-32.9	34.6	-14.4	0	0	0	112.4
168	V	26.1	Very low	29	Very low	122 Å²	122	140.5 Å²	140.5	74%	0.739	73%	0.732	S	S	*	*				160.5	140	127.6	161.5	0	0	0	0	116.4
169	E	26.3	Very low	29	Very low	161 Å²	161	138.3 Å²	138.3	75%	0.752	73%	0.725	S	S	*	*			trans	-32.8	176.8	171.8	-72.9	102	-72.3	0	0	123.2
170	A	27.1	Very low	29	Very low	79 Å²	79	136.8 Å²	136.8	65%	0.653	72%	0.722	S	S	*	*			cis	176.5	167.9	-26.6	0	0	0	0	0	112.9
171	Q	27.8	Very low	28.3	Very low	191 Å²	191	140.3 Å²	140.3	89%	0.893	73%	0.73	S	S	*	*			trans	62.3	167.3	159.8	-72.6	174.5	-21.5	0	0	119.3
172	S	22.3	Very low	28.3	Very low	89 Å²	89	135 Å²	135	62%	0.622	72%	0.723	S	S	*	*			cis	-163.3	174.1	-36.5	65.6	0	0	0	0	112.4
173	D	24.4	Very low	28.3	Very low	129 Å²	129	138.4 Å²	138.4	69%	0.69	73%	0.734	S	S	*	*			trans	75.2	135.2	149.5	-72.2	-65.2	0	0	0	127.1
174	Q	24	Very low	28.1	Very low	184 Å²	184	136.7 Å²	136.7	86%	0.86	74%	0.744	S	S	*	*			trans	81.9	140.1	138.6	-72.9	175.4	21.2	0	0	126.3
175	E	22.6	Very low	27.5	Very low	171 Å²	171	137.9 Å²	137.9	80%	0.799	76%	0.755	S	S	*	*			trans	-103.8	-161.9	169.5	-135.5	-146.9	108.5	0	0	108.2
176	P	42.5	Very low	28	Very low	94 Å²	94	134.6 Å²	134.6	61%	0.61	75%	0.754	S	S	*	*			cis	-141.2	-162.5	7.1	32.6	-5.8	0	0	0	116.9
177	Q	26.3	Very low	27.9	Very low	150 Å²	150	133.5 Å²	133.5	70%	0.701	75%	0.753	S	S	*	*			trans	104.3	108.2	153.2	-53.2	-153.9	15.1	0	0	117.2
178	N	24.3	Very low	26.4	Very low	135 Å²	135	134.8 Å²	134.8	72%	0.722	75%	0.753	S	S	*	*				76.4	141.8	86	-66.9	-36.8	0	0	0	113.6
179	L	24.3	Very low	26.2	Very low	137 Å²	137	136.8 Å²	136.8	72%	0.717	76%	0.755	S	S	*	*			cis	-153.6	168.6	3.4	-144.9	71.7	0	0	0	106.4
180	L	25.5	Very low	26.5	Very low	134 Å²	134	135.5 Å²	135.5	70%	0.702	76%	0.758	S	S	*	*			cis	-148.6	179.4	5.5	-166.3	47.4	0	0	0	104.6
181	E	26.3	Very low	26.4	Very low	169 Å²	169	137.2 Å²	137.2	79%	0.79	76%	0.762	S	S	*	*			cis	-154.9	-159.1	16.7	-160.2	167.2	-81.2	0	0	108.2
182	G	24.5	Very low	26	Very low	58 Å²	58	133.3 Å²	133.3	60%	0.598	76%	0.756	S	S	*	*			trans	129.5	-6	134.9	0	0	0	0	0	120.2
183	N	27.6	Very low	26.6	Very low	164 Å²	164	137.1 Å²	137.1	88%	0.877	77%	0.767	S	S	*	*			trans	52.6	136.1	164.9	-60.7	-19.3	0	0	0	118.9
184	A	25.5	Very low	27.1	Very low	104 Å²	104	136.1 Å²	136.1	86%	0.86	77%	0.768	S	S	*	*			cis	-147.9	171	10.6	0	0	0	0	0	111.9
185	L	24.2	Very low	28.1	Very low	174 Å²	174	131.9 Å²	131.9	91%	0.911	76%	0.756	S	S	*	*			trans	-90.7	157.1	-163.9	-76.3	159.7	0	0	0	116
186	S	33	Very low	28.1	Very low	109 Å²	109	131.8 Å²	131.8	76%	0.762	76%	0.756	S	S	*	*			trans	-104.4	154.2	148	-62.3	0	0	0	0	108.7
187	V	24.3	Very low	27.3	Very low	138 Å²	138	134.2 Å²	134.2	84%	0.836	76%	0.764	S	S	*	*			trans	178.6	142.2	142.6	140.7	0	0	0	0	113.4
188	L	24.5	Very low	27.4	Very low	139 Å²	139	130.6 Å²	130.6	73%	0.728	76%	0.755	S	S	*	*			trans	10.8	148.9	159.4	-56	169.6	0	0	0	125.1
189	Q	22.7	Very low	27.6	Very low	164 Å²	164	133 Å²	133	77%	0.766	76%	0.762	S	S	*	*			trans	75.9	111	141.5	-82.8	163.3	-97.1	0	0	123.1
190	V	32.2	Very low	27.8	Very low	134 Å²	134	129.8 Å²	129.8	81%	0.812	76%	0.762	S	S	*	*			trans	-0.4	132.4	145.1	-166.1	0	0	0	0	118.6
191	P	24.9	Very low	27.9	Very low	114 Å²	114	131.2 Å²	131.2	74%	0.74	77%	0.769	S	S	*	*				-134.5	139.3	129.7	34.8	-22.9	0	0	0	115.6
192	S	20.8	Very low	27.8	Very low	110 Å²	110	129.5 Å²	129.5	77%	0.769	77%	0.771	S	S	*	*			trans	46.3	129	138.5	-49.7	0	0	0	0	123.7
193	I	33.9	Very low	28	Very low	169 Å²	169	131 Å²	131	87%	0.867	78%	0.777	S	S	*	*			trans	-96.3	138.8	152.9	-50.9	162.4	0	0	0	108.1
194	P	35	Very low	28.4	Very low	108 Å²	108	129.5 Å²	129.5	70%	0.701	78%	0.777	S	S	*	*				-152.2	177.2	124.4	36.9	-19.4	0	0	0	113.9
195	P	44.9	Very low	28.4	Very low	95 Å²	95	132 Å²	132	62%	0.617	77%	0.774	S	S	*	*			cis	-132.3	-168.5	-25	28.6	-5.7	0	0	0	113.9
196	E	23.9	Very low	28.5	Very low	169 Å²	169	131.5 Å²	131.5	79%	0.79	77%	0.772	S	S	*	*			trans	70.3	162.8	167.2	-33	-53.9	30.5	0	0	117.7
197	D	24.3	Very low	28.2	Very low	145 Å²	145	129.9 Å²	129.9	78%	0.775	77%	0.765	S	S	*	*				-156.6	173.5	-55.9	-153	29	0	0	0	105.8
198	S	29.8	Very low	28.3	Very low	73 Å²	73	129.9 Å²	129.9	51%	0.51	77%	0.765	S	S	.	*			cis	-155.2	167.3	9.7	81.2	0	0	0	0	112.3
199	Q	28	Very low	28.2	Very low	186 Å²	186	126.8 Å²	126.8	87%	0.869	77%	0.767	S	S	*	*			trans	45	127.5	149.7	-60.3	169.4	33.2	0	0	119.7
200	G	27.6	Very low	28.3	Very low	70 Å²	70	125.3 Å²	125.3	72%	0.722	78%	0.775	S	S	*	*			cis	168.3	-177.5	-1.8	0	0	0	0	0	113.7
201	L	27.1	Very low	28.3	Very low	163 Å²	163	128 Å²	128	85%	0.853	78%	0.779	S	S	*	*			trans	63.1	81.4	168	-52.2	-176.8	0	0	0	117.2
202	T	24.7	Very low	28.2	Very low	134 Å²	134	132 Å²	132	82%	0.822	79%	0.785	S	S	*	*				73.3	112	78.3	65.4	0	0	0	0	116.7
203	A	29.3	Very low	28.3	Very low	89 Å²	89	133.5 Å²	133.5	74%	0.736	78%	0.783	S	S	*	*			trans	-117.5	153.7	148.9	0	0	0	0	0	108.9
204	P	36.4	Very low	27.9	Very low	133 Å²	133	131 Å²	131	86%	0.864	78%	0.775	S	S	*	*			trans	-78.6	126.1	175.1	-13	29.9	0	0	0	112.3
205	L	25.1	Very low	27.3	Very low	155 Å²	155	135 Å²	135	81%	0.812	78%	0.782	S	S	*	*			trans	-78.1	161.1	157.3	-66.8	162.8	0	0	0	108.8
206	L	27	Very low	26.3	Very low	165 Å²	165	136.8 Å²	136.8	86%	0.864	79%	0.785	S	S	*	*				160.8	158.9	94.7	-83.2	179	0	0	0	107.3
207	A	26.6	Very low	26.5	Very low	74 Å²	74	137.6 Å²	137.6	61%	0.612	79%	0.789	S	S	*	*			cis	-159.3	159.2	-11.8	0	0	0	0	0	112.3
208	T	25.4	Very low	27	Very low	138 Å²	138	137.8 Å²	137.8	85%	0.847	79%	0.79	S	S	*	*			trans	20.1	113.7	149.4	59.1	0	0	0	0	121.4
209	G	23.3	Very low	27	Very low	74 Å²	74	141.3 Å²	141.3	76%	0.763	81%	0.808	S	S	*	*				98.3	115.6	94.7	0	0	0	0	0	119.8
210	S	25.3	Very low	27	Very low	133 Å²	133	136.2 Å²	136.2	93%	0.93	80%	0.797	S	S	*	*			trans	-163.1	163.8	149.2	-87.8	0	0	0	0	111.2
211	Q	30.5	Very low	26.9	Very low	192 Å²	192	140.7 Å²	140.7	90%	0.897	81%	0.805	S	S	*	*			trans	-99.5	137.4	-171.1	-55	165.6	-2.2	0	0	112.1
212	K	23.3	Very low	26.9	Very low	198 Å²	198	138.8 Å²	138.8	86%	0.861	80%	0.8	S	S	*	*			trans	-175.4	140.2	131.9	-111.6	-179.4	177.2	177.8	0	115.5
213	L	22.7	Very low	26.8	Very low	141 Å²	141	136.1 Å²	136.1	74%	0.738	79%	0.791	S	S	*	*			trans	47.4	113	134	-155.3	69	0	0	0	120.3
214	V	26.3	Very low	26.6	Very low	116 Å²	116	138.4 Å²	138.4	70%	0.703	80%	0.796	S	S	*	*			trans	-79.1	144.2	154.6	172	0	0	0	0	109.5	I216	V214-I216 HydrophobicContact CG1-CD1 4.47Å; V214-I216 HydrophobicContact CG1-CG1 4.01Å
215	K	21.8	Very low	26.2	Very low	192 Å²	192	137.8 Å²	137.8	84%	0.835	80%	0.795	S	S	*	*			trans	-127.4	149.4	149.6	-87.8	-156.5	168.6	-159.1	0	110.1
216	I	24.6	Very low	26.2	Very low	133 Å²	133	136.4 Å²	136.4	68%	0.682	78%	0.782	S	S	*	*			trans	-118.8	143.7	-178.6	-66.3	159.4	0	0	0	106.3	V214	V214-I216 HydrophobicContact CG1-CD1 4.47Å; V214-I216 HydrophobicContact CG1-CG1 4.01Å
217	E	27.6	Very low	26.6	Very low	185 Å²	185	134.3 Å²	134.3	86%	0.864	77%	0.771	S	S	*	*			trans	-177.6	107.6	133.4	-99.6	150.7	-160.1	0	0	110.6
218	D	34	Very low	27.1	Very low	149 Å²	149	138.1 Å²	138.1	80%	0.797	78%	0.78	S	S	*	*			trans	-75.9	165.1	146.9	-62.3	-74	0	0	0	108.7
219	V	30.1	Very low	27.9	Very low	148 Å²	148	139.3 Å²	139.3	90%	0.897	78%	0.776	S	S	*	*			trans	165.1	145.1	140.5	147	0	0	0	0	109.4
220	A	27.8	Very low	28.7	Very low	78 Å²	78	138.8 Å²	138.8	65%	0.645	75%	0.753	S	S	*	*			cis	-166.3	168.5	-34.8	0	0	0	0	0	107.3
221	D	27.1	Very low	29.4	Very low	164 Å²	164	138.4 Å²	138.4	88%	0.877	73%	0.732	S	S	*	*			trans	-151.8	155.3	140.5	-143.5	-23.5	0	0	0	111.8
222	V	25.6	Very low	29.9	Very low	124 Å²	124	132.4 Å²	132.4	75%	0.752	72%	0.722	S	S	*	*			trans	-115.3	135.9	-144.6	177.6	0	0	0	0	114.7
223	A	22.6	Very low	30.8	Very low	78 Å²	78	129.6 Å²	129.6	65%	0.645	71%	0.711	S	S	*	*			trans	-158.5	100.2	155.8	0	0	0	0	0	115
224	V	25.6	Very low	31.5	Very low	137 Å²	137	125.9 Å²	125.9	83%	0.83	69%	0.692	S	S	*	*			trans	65.8	120.4	159.3	-171.4	0	0	0	0	117.8
225	S	27.6	Very low	32.2	Very low	120 Å²	120	124.7 Å²	124.7	84%	0.839	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-66.5	125.7	-168.5	-40.2	0	0	0	0	115.9
226	F	24.6	Very low	33.1	Very low	126 Å²	126	122.7 Å²	122.7	55%	0.553	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-90.8	166	144.4	-81.3	-102.6	0	0	0	109.4	W231	F226-W231 VanDerWaalsContact CB-NE1 3.29Å; F226-W231 AromaticContact CD1-NE1 3.9Å; F226-W231 HydrophobicContact CD2-CZ2 4.3Å; F226-W231 AromaticContact CD2-NE1 3.68Å; F226-W231 HydrophobicContact CE2-CZ2 4.44Å; F226-W231 AromaticContact CG-NE1 3.35Å
227	I	35.7	Very low	33.8	Very low	120 Å²	120	119.5 Å²	119.5	62%	0.615	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-75.3	127	165.7	-56	174.1	0	0	0	107.4	E229 E230	I227-E229 VanDerWaalsContact C-N 3.25Å; I227-E229 PolarHBondContact O-N 3.49Å; I227-E230 PolarHBondContact O-N 3.19Å
228	L	38.4	Very low	34.6	Very low	155 Å²	155	112.7 Å²	112.7	81%	0.812	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-63.2	-25.5	-169.1	-80.8	162.9	0	0	0	114.3	E230	L228-E230 VanDerWaalsContact C-N 3.32Å; L228-E230 PolarHBondContact O-N 2.9Å
229	E	41.8	Very low	35.2	Very low	163 Å²	163	108.9 Å²	108.9	76%	0.762	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-62.8	-29.6	175.1	-85	-178.1	130.4	0	0	114.3	I227 W231	I227-E229 VanDerWaalsContact C-N 3.25Å; I227-E229 PolarHBondContact O-N 3.49Å; E229-W231 PolarHBondContact O-N 3.24Å
230	E	40.4	Very low	35.6	Very low	62 Å²	62	104.1 Å²	104.1	29%	0.29	58%	0.583	S	S	.	*	G	3₁₀ helix	trans	-78.4	-17.9	-174.8	-67	-161.5	139.6	0	0	113.7	I227 L228 H417	I227-E230 PolarHBondContact O-N 3.19Å; L228-E230 VanDerWaalsContact C-N 3.32Å; L228-E230 PolarHBondContact O-N 2.9Å; E230-H417 IonicContact OE1-CE1 2.77Å; E230-H417 PolarHBondContact OE1-CE1 2.95Å; E230-H417 VanDerWaalsContact OE1-CE1 3.28Å; E230-H417 IonicContact OE1-CG 2.74Å; E230-H417 IonicContact OE1-ND1 3.46Å; E230-H417 PolarHBondContact OE1-ND1 3.3Å
231	W	40.4	Very low	36.1	Very low	126 Å²	126	106.7 Å²	106.7	48%	0.477	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-77.4	-25.3	-176.2	-87.3	80.6	0	0	0	114.6	F226 E229 H233 K239	F226-W231 VanDerWaalsContact CB-NE1 3.29Å; F226-W231 AromaticContact CD1-NE1 3.9Å; F226-W231 HydrophobicContact CD2-CZ2 4.3Å; F226-W231 AromaticContact CD2-NE1 3.68Å; F226-W231 HydrophobicContact CE2-CZ2 4.44Å; F226-W231 AromaticContact CG-NE1 3.35Å; E229-W231 PolarHBondContact O-N 3.24Å; W231-H233 VanDerWaalsContact C-N 3.25Å; W231-H233 PolarHBondContact O-N 3.13Å; W231-K239 PolarHBondContact O-NZ 3.18Å
232	G	39.2	Very low	36.2	Very low	66 Å²	66	103.2 Å²	103.2	68%	0.68	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-67.2	-24.6	175.9	0	0	0	0	0	113.5
233	H	42.1	Very low	36.5	Very low	138 Å²	138	104.6 Å²	104.6	64%	0.639	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-97	12.7	-173.1	-62.3	-56.5	0	0	0	114.8	W231 Q401	W231-H233 VanDerWaalsContact C-N 3.25Å; W231-H233 PolarHBondContact O-N 3.13Å; H233-Q401 PolarHBondContact O-NE2 3.12Å
234	L	38	Very low	37.1	Very low	63 Å²	63	105.2 Å²	105.2	33%	0.33	56%	0.558	S	S	.	*			trans	-103	124.9	176.4	-71.4	172.8	0	0	0	111.5	Q238 K239	L234-Q238 HydrophobicContact CD2-CB 4.37Å; L234-K239 HydrophobicContact CB-CG 4.49Å; L234-K239 VanDerWaalsContact O-CE 3.26Å; L234-K239 WeakPolarHBondContact O-CE 3.3Å; L234-K239 PolarHBondContact O-NZ 3.41Å
235	D	42.2	Very low	37.5	Very low	92 Å²	92	102 Å²	102	49%	0.492	55%	0.551	S	S	.	*			trans	-66.7	157	175.4	173	57.2	0	0	0	112.8	S237 Q238 K239	D235-S237 PolarHBondContact O-N 3.13Å; D235-S237 VanDerWaalsContact OD2-CB 3.23Å; D235-S237 WeakPolarHBondContact OD2-CB 3.26Å; D235-S237 PolarHBondContact OD2-N 2.8Å; D235-S237 PolarHBondContact OD2-OG 3.19Å; D235-Q238 WeakPolarHBondContact O-CB 3.22Å; D235-Q238 PolarHBondContact O-N 3.33Å; D235-K239 PolarHBondContact O-N 3.28Å
236	Q	39.2	Very low	37.7	Very low	149 Å²	149	105.4 Å²	105.4	70%	0.696	55%	0.546	S	S	*	.	H	α-helix	trans	-53.9	-38.8	179.5	-154.2	74.5	-19.7	0	0	112.4	Q238 K239 S240	Q236-Q238 PolarHBondContact O-N 2.95Å; Q236-K239 PolarHBondContact O-N 2.86Å; Q236-K239 VanDerWaalsContact O-N 3.12Å; Q236-S240 PolarHBondContact O-N 3.01Å; Q236-S240 VanDerWaalsContact O-N 3.13Å
237	S	40.7	Very low	38.1	Very low	66 Å²	66	105.9 Å²	105.9	46%	0.462	55%	0.55	S	S	.	*	H	α-helix	trans	-67.8	-20.3	177.5	68.8	0	0	0	0	114.2	D235 S240	D235-S237 PolarHBondContact O-N 3.13Å; D235-S237 VanDerWaalsContact OD2-CB 3.23Å; D235-S237 WeakPolarHBondContact OD2-CB 3.26Å; D235-S237 PolarHBondContact OD2-N 2.8Å; D235-S237 PolarHBondContact OD2-OG 3.19Å; S237-S240 PolarHBondContact O-OG 2.94Å
238	Q	44.1	Very low	37.9	Very low	42 Å²	42	108.9 Å²	108.9	20%	0.196	56%	0.561	C	S	.	*	H	α-helix	trans	-87.6	-23.1	174.2	-55.9	-130.5	-110.1	0	0	111.8	L234 D235 Q236 P397	L234-Q238 HydrophobicContact CD2-CB 4.37Å; D235-Q238 WeakPolarHBondContact O-CB 3.22Å; D235-Q238 PolarHBondContact O-N 3.33Å; Q236-Q238 PolarHBondContact O-N 2.95Å; Q238-P397 PolarHBondContact NE2-O 3.43Å
239	K	46.7	Very low	37.7	Very low	69 Å²	69	107 Å²	107	30%	0.3	55%	0.552	S	S	.	*	H	α-helix	trans	-84.2	-22.7	178.4	-72.4	165.3	168.7	158.6	0	113	W231 L234 D235 Q236	W231-K239 PolarHBondContact O-NZ 3.18Å; L234-K239 HydrophobicContact CB-CG 4.49Å; L234-K239 VanDerWaalsContact O-CE 3.26Å; L234-K239 WeakPolarHBondContact O-CE 3.3Å; L234-K239 PolarHBondContact O-NZ 3.41Å; D235-K239 PolarHBondContact O-N 3.28Å; Q236-K239 PolarHBondContact O-N 2.86Å; Q236-K239 VanDerWaalsContact O-N 3.12Å
240	S	38.7	Very low	37.2	Very low	49 Å²	49	104.6 Å²	104.6	34%	0.343	55%	0.552	S	S	.	*	H	α-helix	trans	-75.2	-51.2	169.3	51.1	0	0	0	0	112.3	Q236 S237 S242 R243	Q236-S240 PolarHBondContact O-N 3.01Å; Q236-S240 VanDerWaalsContact O-N 3.13Å; S237-S240 PolarHBondContact O-OG 2.94Å; S240-S242 PolarHBondContact O-N 3Å; S240-R243 WeakPolarHBondContact O-CA 2.95Å; S240-R243 WeakPolarHBondContact O-CB 3.21Å; S240-R243 PolarHBondContact O-N 3.48Å
241	L	37.7	Very low	36.7	Very low	131 Å²	131	110 Å²	110	69%	0.686	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-8.6	-179.1	-75.4	169.9	0	0	0	115.6
242	S	29.3	Very low	36	Very low	92 Å²	92	109.2 Å²	109.2	64%	0.643	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	0.6	172.2	-166.8	0	0	0	0	113.8	S240	S240-S242 PolarHBondContact O-N 3Å
243	R	32.1	Very low	35.3	Very low	152 Å²	152	113.7 Å²	113.7	57%	0.574	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-52.4	-177.3	-161.5	-176.4	-50	-157.9	2.8	111.1	S240 G245 R246	S240-R243 WeakPolarHBondContact O-CA 2.95Å; S240-R243 WeakPolarHBondContact O-CB 3.21Å; S240-R243 PolarHBondContact O-N 3.48Å; R243-G245 VanDerWaalsContact C-N 3.25Å; R243-G245 PolarHBondContact O-N 3.32Å; R243-R246 WeakPolarHBondContact O-CA 3.3Å; R243-R246 VanDerWaalsContact O-CB 3.26Å; R243-R246 WeakPolarHBondContact O-CB 3.47Å; R243-R246 PolarHBondContact O-N 3.35Å
244	D	34.5	Very low	34.4	Very low	92 Å²	92	113.1 Å²	113.1	49%	0.492	60%	0.604	S	S	.	*	H	α-helix	trans	-51.7	-45.4	179.5	-44.8	-16.6	0	0	0	111.4	R246 E247	D244-R246 PolarHBondContact O-N 2.96Å; D244-E247 PolarHBondContact O-N 3.01Å; D244-E247 VanDerWaalsContact O-N 3.15Å
245	G	33.5	Very low	34.3	Very low	68 Å²	68	115.3 Å²	115.3	70%	0.701	62%	0.622	S	S	*	*	H	α-helix	trans	-68.9	9.4	176.3	0	0	0	0	0	116.2	R243	R243-G245 VanDerWaalsContact C-N 3.25Å; R243-G245 PolarHBondContact O-N 3.32Å
246	R	31.4	Very low	33.7	Very low	193 Å²	193	117.1 Å²	117.1	73%	0.728	64%	0.636	S	S	*	*	H	α-helix	trans	-112.4	-24.2	172.8	-161.5	176.3	-173.4	178.4	0.7	112.4	R243 D244	R243-R246 WeakPolarHBondContact O-CA 3.3Å; R243-R246 VanDerWaalsContact O-CB 3.26Å; R243-R246 WeakPolarHBondContact O-CB 3.47Å; R243-R246 PolarHBondContact O-N 3.35Å; D244-R246 PolarHBondContact O-N 2.96Å
247	E	33.7	Very low	33	Very low	136 Å²	136	117.6 Å²	117.6	64%	0.636	64%	0.644	S	S	*	*	H	α-helix	trans	-83.9	-35.3	-176.5	-71.8	170	-175.2	0	0	112	D244 N249 C250	D244-E247 PolarHBondContact O-N 3.01Å; D244-E247 VanDerWaalsContact O-N 3.15Å; E247-N249 PolarHBondContact O-N 2.93Å; E247-C250 PolarHBondContact O-N 3.45Å
248	E	32.1	Very low	32.1	Very low	182 Å²	182	124 Å²	124	85%	0.85	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	6.6	176.1	-63.8	-169.9	151.7	0	0	116.1
249	N	34.2	Very low	31.2	Very low	116 Å²	116	129.3 Å²	129.3	62%	0.62	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.4	16.2	-176.9	-165.5	103.5	0	0	0	112.8	E247	E247-N249 PolarHBondContact O-N 2.93Å
250	C	32.1	Very low	30.2	Very low	112 Å²	112	131.6 Å²	131.6	76%	0.757	71%	0.708	S	S	*	*	S	Bend	trans	-127	9.2	-179.8	-81.3	0	0	0	0	116.7	E247	E247-C250 PolarHBondContact O-N 3.45Å
251	E	28.8	Very low	29.5	Very low	177 Å²	177	139.9 Å²	139.9	83%	0.827	73%	0.732	S	S	*	*			trans	-126.9	137.2	162.6	-58.5	-176.6	172	0	0	107.1
252	S	26.2	Very low	28.9	Very low	109 Å²	109	142.7 Å²	142.7	76%	0.762	74%	0.742	S	S	*	*			cis	-155.4	146.2	22.9	-29.5	0	0	0	0	111.6
253	I	24.4	Very low	28.8	Very low	159 Å²	159	140.8 Å²	140.8	82%	0.815	74%	0.737	S	S	*	*			trans	-149	144.5	153	-45.4	179.7	0	0	0	109.3
254	T	22.8	Very low	28.4	Very low	127 Å²	127	141.1 Å²	141.1	78%	0.779	75%	0.75	S	S	*	*			trans	79.8	151.8	172.4	76.6	0	0	0	0	116.8
255	P	36.6	Very low	27.8	Very low	109 Å²	109	141.5 Å²	141.5	71%	0.708	76%	0.76	S	S	*	*			cis	-136.5	151.6	-46.7	36.8	-22.5	0	0	0	114.9
256	V	29.5	Very low	27.4	Very low	129 Å²	129	147.2 Å²	147.2	78%	0.782	77%	0.768	S	S	*	*			trans	33.2	117.7	146.1	-176.3	0	0	0	0	119.1
257	D	23.4	Very low	27	Very low	160 Å²	160	145.8 Å²	145.8	86%	0.856	77%	0.774	S	S	*	*				-160.4	-168.4	114.2	-121.5	-40.6	0	0	0	114.4
258	Y	23.2	Very low	26.5	Very low	199 Å²	199	147.2 Å²	147.2	78%	0.78	78%	0.783	S	S	*	*			trans	-92.6	169.7	-151.4	-164.8	-120	0	0	0	118
259	E	25.1	Very low	26.1	Very low	155 Å²	155	145 Å²	145	72%	0.724	78%	0.782	S	S	*	*			trans	94.8	129.2	149.8	-134.6	158.9	-119.5	0	0	122.6
260	S	24.4	Very low	25.7	Very low	116 Å²	116	147.3 Å²	147.3	81%	0.811	79%	0.789	S	S	*	*			trans	54.6	122.6	154.3	-69.2	0	0	0	0	123.7
261	R	25	Very low	25.4	Very low	224 Å²	224	151 Å²	151	85%	0.845	80%	0.795	S	S	*	*			trans	-135.7	119.8	151.1	175.6	-179.9	173.4	-175.2	-1.6	110.5	G263	R261-G263 PolarHBondContact NH2-O 3.27Å
262	E	25.1	Very low	25.1	Very low	189 Å²	189	148.4 Å²	148.4	88%	0.883	79%	0.791	S	S	*	*			trans	-98.2	-176.4	155.5	-67.9	-164.5	129.1	0	0	110.4
263	G	26.1	Very low	25.1	Very low	53 Å²	53	148.9 Å²	148.9	55%	0.546	79%	0.794	S	S	.	*			trans	95.4	96.6	161.1	0	0	0	0	0	116	R261	R261-G263 PolarHBondContact NH2-O 3.27Å
264	N	23.9	Very low	25.3	Very low	159 Å²	159	149 Å²	149	85%	0.85	80%	0.796	S	S	*	*			trans	-64.3	152.2	154.6	-75.3	-24.8	0	0	0	110.7
265	S	23.3	Very low	25.4	Very low	99 Å²	99	146.7 Å²	146.7	69%	0.692	80%	0.798	S	S	*	*				161.1	133.9	105.3	-86.4	0	0	0	0	114.5
266	E	23.2	Very low	25	Very low	188 Å²	188	146 Å²	146	88%	0.879	80%	0.801	S	S	*	*			trans	67.7	155.1	146.2	-69.6	-178.4	110.5	0	0	122.6
267	L	24	Very low	24.9	Very low	164 Å²	164	146.7 Å²	146.7	86%	0.859	80%	0.8	S	S	*	*			trans	-108.8	160.7	-176	-57.2	111.4	0	0	0	109.8
268	M	22.4	Very low	25.1	Very low	166 Å²	166	143.5 Å²	143.5	82%	0.818	79%	0.791	S	S	*	*				-154.3	136.1	121.8	-115	-169.8	-173	0	0	112.3	Q270	M268-Q270 HydrophobicContact SD-CG 4.36Å
269	V	24.1	Very low	25.2	Very low	136 Å²	136	142 Å²	142	82%	0.824	79%	0.791	S	S	*	*			trans	-115.6	123	157.8	172.9	0	0	0	0	106
270	Q	25.4	Very low	25	Very low	163 Å²	163	144.8 Å²	144.8	76%	0.762	80%	0.795	S	S	*	*			trans	-99.4	116.2	177.6	-71.1	178.7	-27.5	0	0	110.4	M268	M268-Q270 HydrophobicContact SD-CG 4.36Å
271	Q	25.5	Very low	24.9	Very low	189 Å²	189	144.7 Å²	144.7	88%	0.883	79%	0.789	S	S	*	*			trans	-140.2	139.1	151	-70.4	-163.3	-17.9	0	0	108.4
272	V	24	Very low	24.8	Very low	124 Å²	124	138.5 Å²	138.5	75%	0.752	79%	0.785	S	S	*	*			trans	-137.5	127.3	-172.1	173.5	0	0	0	0	109.6
273	S	26.2	Very low	24.8	Very low	118 Å²	118	133.3 Å²	133.3	83%	0.825	78%	0.775	S	S	*	*			trans	-173.4	138.5	139.5	43	0	0	0	0	110.3
274	D	27.5	Very low	24.6	Very low	162 Å²	162	139.4 Å²	139.4	87%	0.866	79%	0.789	S	S	*	*			trans	-89.5	169.5	-164.1	-48.8	-91	0	0	0	115.3
275	G	26.2	Very low	24.7	Very low	78 Å²	78	136.3 Å²	136.3	80%	0.804	78%	0.78	S	S	*	*			trans	174	81	172.4	0	0	0	0	0	115.3
276	A	28.1	Very low	24.8	Very low	94 Å²	94	141.6 Å²	141.6	78%	0.777	79%	0.785	S	S	*	*			trans	-66	171.6	-180	0	0	0	0	0	114.3
277	D	27.1	Very low	24.9	Very low	144 Å²	144	137.8 Å²	137.8	77%	0.77	77%	0.767	S	S	*	*			cis	-164.8	176.7	3.7	-142	-36.3	0	0	0	112.2
278	S	27.9	Very low	25.3	Very low	94 Å²	94	137.8 Å²	137.8	66%	0.657	76%	0.76	S	S	*	*			trans	64.1	120.8	158.9	60	0	0	0	0	119.3
279	H	24.3	Very low	25.5	Very low	168 Å²	168	137 Å²	137	78%	0.778	76%	0.759	S	S	*	*				73.4	138.8	69.4	-78.6	-131.8	0	0	0	115.2
280	W	20.3	Very low	25.5	Very low	212 Å²	212	134.1 Å²	134.1	80%	0.803	76%	0.757	S	S	*	*			cis	-174.2	166	-21	-127.5	105	0	0	0	108.3
281	V	23.4	Very low	25.6	Very low	115 Å²	115	130.6 Å²	130.6	70%	0.697	76%	0.756	S	S	*	*			trans	67.9	114.2	167.1	-177.8	0	0	0	0	114.9
282	A	23.5	Very low	25.6	Very low	93 Å²	93	129.7 Å²	129.7	77%	0.769	75%	0.752	S	S	*	*				69.3	152.3	70.7	0	0	0	0	0	114.6
283	A	23.3	Very low	25.7	Very low	80 Å²	80	127.7 Å²	127.7	66%	0.661	74%	0.743	S	S	*	*			cis	-155.4	165.2	13.1	0	0	0	0	0	113.4
284	E	23.4	Very low	25.7	Very low	181 Å²	181	128.8 Å²	128.8	85%	0.846	74%	0.735	S	S	*	*			trans	63.4	154	148.5	-74.8	-164.9	-134.3	0	0	121
285	S	26	Very low	25.6	Very low	95 Å²	95	127.7 Å²	127.7	66%	0.664	73%	0.725	S	S	*	*			cis	-161.1	163	-5.8	-117	0	0	0	0	110.2
286	R	24.7	Very low	25.5	Very low	210 Å²	210	132.9 Å²	132.9	79%	0.792	73%	0.726	S	S	*	*				151.7	111.2	126.1	-168.5	170.2	-180	142.5	11.5	116.5
287	E	25.3	Very low	25.3	Very low	108 Å²	108	132.3 Å²	132.3	51%	0.505	72%	0.721	S	S	.	*			trans	68.7	114.7	149.7	-67.2	-172.8	130.7	0	0	120.5
288	K	32.1	Very low	25.2	Very low	164 Å²	164	135.1 Å²	135.1	71%	0.713	73%	0.729	S	S	*	*				77.8	133.2	83.9	-73	174.7	-164.1	163.1	0	113.1
289	N	26.4	Very low	24.9	Very low	149 Å²	149	133.5 Å²	133.5	80%	0.797	73%	0.727	S	S	*	*			cis	-127.3	158.4	1.2	-59.1	-73.3	0	0	0	107.9
290	G	25.8	Very low	25.1	Very low	75 Å²	75	131.6 Å²	131.6	77%	0.773	73%	0.733	S	S	*	*			cis	91.7	136.9	43.6	0	0	0	0	0	109.4
291	A	25.5	Very low	25.8	Very low	90 Å²	90	128.2 Å²	128.2	74%	0.744	73%	0.731	S	S	*	*			cis	-163.8	167.9	4.4	0	0	0	0	0	107.4
292	Q	26	Very low	26.3	Very low	170 Å²	170	129.9 Å²	129.9	79%	0.794	74%	0.735	S	S	*	*			cis	-158.4	149.3	-6.1	-127.6	173.4	-52.3	0	0	108.5
293	S	26.7	Very low	26.6	Very low	82 Å²	82	135.2 Å²	135.2	57%	0.573	74%	0.741	S	S	*	*				42.7	148.3	128.6	-64.6	0	0	0	0	123.2
294	Q	26.1	Very low	26.8	Very low	141 Å²	141	138.7 Å²	138.7	66%	0.659	75%	0.748	S	S	*	*			cis	-154.6	149.3	-3.8	-112.9	167.1	-74.6	0	0	108.7
295	E	25.9	Very low	27.1	Very low	139 Å²	139	139.1 Å²	139.1	65%	0.65	75%	0.752	S	S	*	*				51	146.5	93.5	-54.5	-179	152.7	0	0	114.9
296	F	22.6	Very low	27.3	Very low	187 Å²	187	139 Å²	139	82%	0.82	76%	0.757	S	S	*	*			cis	-131.7	-158.5	21.2	-125.5	-82.5	0	0	0	113.3
297	A	24.5	Very low	27.6	Very low	81 Å²	81	137.9 Å²	137.9	67%	0.669	76%	0.761	S	S	*	*			trans	-104.4	-149.4	-165.4	0	0	0	0	0	114.2
298	E	24.6	Very low	27.6	Very low	203 Å²	203	142.4 Å²	142.4	95%	0.949	77%	0.774	S	S	*	*			trans	76.3	149.4	-177.4	-56.6	-179.8	-174.8	0	0	115.9
299	G	22.9	Very low	27.3	Very low	60 Å²	60	145.1 Å²	145.1	62%	0.619	78%	0.779	S	S	*	*			cis	157.6	85.1	-8	0	0	0	0	0	113.8
300	S	27.6	Very low	27.2	Very low	128 Å²	128	147.1 Å²	147.1	90%	0.895	78%	0.784	S	S	*	*			trans	58.1	165.6	-178.6	66.4	0	0	0	0	116.3
301	D	34.6	Very low	27.3	Very low	142 Å²	142	149.7 Å²	149.7	76%	0.759	79%	0.785	S	S	*	*			cis	159.6	161.1	-31.4	-145.2	-15.8	0	0	0	106
302	L	35.5	Very low	27.4	Very low	150 Å²	150	155.7 Å²	155.7	79%	0.785	79%	0.789	S	S	*	*			trans	40.4	85.2	168.8	-82.4	72.2	0	0	0	119.2
303	K	29.1	Very low	27.7	Very low	205 Å²	205	153.4 Å²	153.4	89%	0.891	79%	0.79	S	S	*	*			trans	-155.6	-23.8	142.7	-127.3	166.5	-173.3	171.1	0	117.8	M305	K303-M305 PolarHBondContact O-N 3.29Å
304	D	28.4	Very low	27.8	Very low	152 Å²	152	155.9 Å²	155.9	81%	0.813	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	40.3	-158.2	-155.4	38.9	0	0	0	116.6
305	M	28.1	Very low	28	Very low	190 Å²	190	156.5 Å²	156.5	94%	0.936	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.8	17.2	176.3	-68.7	-157.7	177.5	0	0	115.2	K303	K303-M305 PolarHBondContact O-N 3.29Å
306	A	31.1	Very low	28.1	Very low	93 Å²	93	152.5 Å²	152.5	77%	0.769	81%	0.811	S	S	*	*	S	Bend	trans	-95.7	-10.8	177.5	0	0	0	0	0	114.8
307	Q	31	Very low	28.4	Very low	186 Å²	186	153.8 Å²	153.8	87%	0.869	82%	0.816	S	S	*	*	S	Bend	trans	-128.1	46.2	-169.8	-64.2	-166.7	-1.7	0	0	114.8
308	R	24.5	Very low	28.4	Very low	203 Å²	203	154.9 Å²	154.9	77%	0.766	82%	0.819	S	S	*	*			trans	-154.7	131.3	163.4	-104.8	167.5	179	160	-0.6	106.5
309	W	26.2	Very low	28.6	Very low	221 Å²	221	155.4 Å²	155.4	84%	0.837	81%	0.812	S	S	*	*			cis	-141.5	133.7	27.8	-67.7	74.6	0	0	0	112.7
310	Q	24.9	Very low	29	Very low	191 Å²	191	160 Å²	160	89%	0.893	82%	0.817	S	S	*	*	S	Bend	trans	-113.7	119.1	151.9	-79.2	-168.2	0.8	0	0	109.7
311	V	28.3	Very low	29.1	Very low	130 Å²	130	163.4 Å²	163.4	79%	0.788	82%	0.816	S	S	*	*			trans	68.2	151	158.8	-170.2	0	0	0	0	117.5
312	Y	26.3	Very low	28.8	Very low	215 Å²	215	168.9 Å²	168.9	84%	0.843	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-84.4	163.5	-176.8	-91.1	-107.2	0	0	0	113
313	P	33.3	Very low	28.5	Very low	123 Å²	123	165.6 Å²	165.6	80%	0.799	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-75.6	159.6	-169.2	30.6	-37.2	0	0	0	115.5
314	T	29.1	Very low	28.5	Very low	134 Å²	134	163.2 Å²	163.2	82%	0.822	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-84.9	147.8	-173.9	53.4	0	0	0	0	115.1
315	V	29.7	Very low	28.5	Very low	153 Å²	153	163.4 Å²	163.4	93%	0.927	82%	0.818	S	S	*	*			trans	-126.3	142.8	143	-177.9	0	0	0	0	106.6
316	G	27.1	Very low	28.6	Very low	56 Å²	56	159.4 Å²	159.4	58%	0.577	81%	0.808	S	S	*	*			trans	-158	-157.5	-168.9	0	0	0	0	0	115.9
317	K	29.2	Very low	28.5	Very low	213 Å²	213	158.1 Å²	158.1	93%	0.926	80%	0.804	S	S	*	*			trans	79.4	143.1	-163.5	-49.6	169.7	-176	176.7	0	111.3
318	S	25.2	Very low	29.1	Very low	105 Å²	105	155.5 Å²	155.5	73%	0.734	80%	0.804	S	S	*	*			cis	-158	163.4	7.6	-148.1	0	0	0	0	114.6
319	R	29.4	Very low	29.3	Very low	214 Å²	214	153.6 Å²	153.6	81%	0.808	80%	0.803	S	S	*	*			trans	65.2	120.6	151.7	-82	178.4	162.5	174.4	-2.8	123.7
320	Q	29.6	Very low	29.5	Very low	156 Å²	156	150.3 Å²	150.3	73%	0.729	81%	0.807	S	S	*	*				79.4	111	128	-70.8	172.8	-84.8	0	0	123.6
321	K	31.3	Very low	30.1	Very low	200 Å²	200	145.3 Å²	145.3	87%	0.87	79%	0.793	S	S	*	*			trans	10.9	120.2	136.3	-57.6	-179.9	179.6	-176.2	0	119
322	R	28.1	Very low	30.2	Very low	257 Å²	257	151 Å²	151	97%	0.97	80%	0.8	S	S	*	*				-162.4	-172.9	101.2	-134.2	170.9	-79.3	-147	0.4	111.9
323	A	28.1	Very low	30.6	Very low	80 Å²	80	149.2 Å²	149.2	66%	0.661	80%	0.797	S	S	*	*			trans	-121.2	169.3	-157.2	0	0	0	0	0	114.3
324	L	30.6	Very low	30.8	Very low	156 Å²	156	150.3 Å²	150.3	82%	0.817	79%	0.792	S	S	*	*			trans	53.6	119.3	153.6	-67.6	163.9	0	0	0	119.3
325	N	28.2	Very low	31.2	Very low	155 Å²	155	152.9 Å²	152.9	83%	0.829	79%	0.791	S	S	*	*				-170.3	172.1	101.8	-103.8	-12.1	0	0	0	115.4
326	S	28.5	Very low	31.4	Very low	106 Å²	106	151.1 Å²	151.1	74%	0.741	79%	0.786	S	S	*	*			trans	-53.2	157.4	-175.7	50.6	0	0	0	0	118.7
327	G	29.6	Very low	31.9	Very low	66 Å²	66	156.5 Å²	156.5	68%	0.68	80%	0.801	S	S	*	*			trans	-75.7	-162.5	160.4	0	0	0	0	0	113.6
328	P	44	Very low	32.4	Very low	132 Å²	132	149.5 Å²	149.5	86%	0.857	79%	0.79	S	S	*	*				-146.6	174.2	76.7	40.9	-24.5	0	0	0	117.7
329	H	28.2	Very low	33.7	Very low	163 Å²	163	153 Å²	153	76%	0.755	80%	0.795	S	S	*	*			trans	-9.8	130.9	166.1	-88.4	-104.5	0	0	0	121	S331	H329-S331 PolarHBondContact CE1-OG 3.08Å; H329-S331 PolarHBondContact ND1-OG 3.4Å
330	V	31.7	Very low	35	Very low	151 Å²	151	153.7 Å²	153.7	92%	0.915	80%	0.797	S	S	*	*				-128.7	141.5	117.6	178	0	0	0	0	107.7
331	S	36.8	Very low	36.9	Very low	87 Å²	87	147.1 Å²	147.1	61%	0.608	77%	0.771	S	S	*	*			trans	-131.9	123.8	-179.8	-54.7	0	0	0	0	112	H329	H329-S331 PolarHBondContact CE1-OG 3.08Å; H329-S331 PolarHBondContact ND1-OG 3.4Å
332	R	31.2	Very low	38.9	Very low	248 Å²	248	140.8 Å²	140.8	94%	0.936	74%	0.744	S	S	*	*			trans	-146	136.4	156.7	-151.5	163.2	-177.1	148.6	-0.2	112.2
333	K	33.3	Very low	41.2	Very low	179 Å²	179	136.5 Å²	136.5	78%	0.778	73%	0.728	S	S	*	*			trans	-63.7	161	172.1	-65.2	171.7	178.6	-179.4	0	110.4
334	Q	37	Very low	43.7	Very low	146 Å²	146	132.8 Å²	132.8	68%	0.682	70%	0.697	S	S	*	*			cis	-165.8	168.1	-5.7	-118.9	168.1	-48.4	0	0	109.3
335	K	39.3	Very low	45.7	Very low	188 Å²	188	130 Å²	130	82%	0.817	70%	0.697	S	S	*	*			trans	46.2	118.1	154.2	-66.2	-178.1	177.6	-175.1	0	119.4
336	S	33.2	Very low	47.9	Very low	116 Å²	116	127.8 Å²	127.8	81%	0.811	69%	0.685	S	S	*	*			trans	-133.4	128.8	137	56.3	0	0	0	0	109.5	G338	S336-G338 PolarHBondContact O-N 3.3Å
337	N	38.5	Very low	50.2	Low	168 Å²	168	125.3 Å²	125.3	90%	0.898	67%	0.667	S	S	*	*			trans	-76.4	119.2	167.4	-81.6	0.5	0	0	0	107.3
338	G	38.4	Very low	52.3	Low	67 Å²	67	123.9 Å²	123.9	69%	0.691	65%	0.653	S	S	*	*			trans	-120.7	103.5	-179.9	0	0	0	0	0	111.3	S336 R340	S336-G338 PolarHBondContact O-N 3.3Å; G338-R340 PolarHBondContact O-N 3.2Å
339	E	52.3	Low	53.5	Low	178 Å²	178	123.5 Å²	123.5	83%	0.832	64%	0.637	S	S	*	*			trans	-65.7	97.8	177.2	-65.5	-161.6	128.9	0	0	111.5	G341	E339-G341 VanDerWaalsContact C-N 3.29Å; E339-G341 PolarHBondContact O-N 3.31Å
340	R	57.6	Low	55.7	Low	229 Å²	229	120.7 Å²	120.7	86%	0.864	62%	0.623	S	S	*	*			trans	-84.2	68.8	-177.8	-166.3	-177.5	-68.4	167.1	-1.2	111.8	G338	G338-R340 PolarHBondContact O-N 3.2Å
341	G	68.3	Low	58	Low	17 Å²	17	115.6 Å²	115.6	18%	0.175	59%	0.589	C	S	.	*	P	Polyproline II helix	trans	-61.5	160.5	171.6	0	0	0	0	0	113.2	E339 F350	E339-G341 VanDerWaalsContact C-N 3.29Å; E339-G341 PolarHBondContact O-N 3.31Å; G341-F350 VanDerWaalsContact CA-CZ 3.5Å; G341-F350 WeakPolarHBondContact O-CE2 3.16Å
342	H	74.9	Confident	59.8	Low	68 Å²	68	117.4 Å²	117.4	32%	0.315	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.6	124.8	-169.2	-56	-83.1	0	0	0	112.5	F350 F351 A354 F357	H342-F350 CarbonylContact O-C 3.39Å; H342-F350 WeakPolarHBondContact O-CA 3.4Å; H342-F351 PolarHBondContact N-O 2.75Å; H342-F351 PolarHBondContact O-N 3.3Å; H342-A354 WeakPolarHBondContact NE2-CB 3.42Å; H342-F357 HydrophobicContact CB-CB 3.71Å; H342-F357 HydrophobicContact CB-CD1 3.54Å; H342-F357 HydrophobicContact CB-CD2 4.02Å; H342-F357 HydrophobicContact CB-CE1 4.14Å; H342-F357 HydrophobicContact CB-CG 3.46Å; H342-F357 VanDerWaalsContact CB-CG 3.46Å; H342-F357 AromaticContact CG-CD1 3.86Å
343	R	75.7	Confident	61.9	Low	167 Å²	167	111 Å²	111	63%	0.63	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.9	133.4	173.7	-166.4	-178.8	-64.9	-81.2	6.3	111.4	G348 K349 F350	R343-G348 WeakPolarHBondContact CG-O 3.46Å; R343-G348 PolarHBondContact NH1-O 2.84Å; R343-K349 WeakPolarHBondContact CA-O 3.4Å; R343-F350 HydrophobicContact CB-CD2 4.35Å
344	C	79.6	Confident	63.9	Low	1 Å²	1	104.6 Å²	104.6	1%	0.007	55%	0.552	C	S	.	*	P	Polyproline II helix	trans	-77.8	123.3	167.1	171.1	0	0	0	0	110.4	D346 C347 G348 K349 F351 F357 H364	C344-D346 PolarHBondContact SG-N 2.78Å; C344-D346 VanDerWaalsContact SG-N 3.42Å; C344-D346 PolarHBondContact SG-OD2 3.22Å; C344-C347 PolarHBondContact SG-N 3.35Å; C344-G348 WeakPolarHBondContact O-CA 3.44Å; C344-G348 PolarHBondContact O-N 3.39Å; C344-K349 PolarHBondContact N-O 3.09Å; C344-F351 HydrophobicContact CB-CE2 4.49Å; C344-F357 HydrophobicContact CB-CE2 4.02Å; C344-H364 VanDerWaalsContact SG-CD2 3.58Å; C344-H364 PolarHBondContact SG-NE2 3.42Å
345	A	74.5	Confident	65.6	Low	99 Å²	99	100.9 Å²	100.9	82%	0.818	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-40	174.9	0	0	0	0	0	111.5	C347	A345-C347 VanDerWaalsContact C-N 3.31Å; A345-C347 PolarHBondContact O-N 3.32Å
346	D	73.1	Confident	67.2	Low	107 Å²	107	95.1 Å²	95.1	57%	0.572	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.9	-170.6	-33.9	-74.5	0	0	0	113.9	C344 H364	C344-D346 PolarHBondContact SG-N 2.78Å; C344-D346 VanDerWaalsContact SG-N 3.42Å; C344-D346 PolarHBondContact SG-OD2 3.22Å; D346-H364 HydrophobicContact CB-CB 4.39Å; D346-H364 IonicContact OD2-CD2 3.6Å; D346-H364 PolarHBondContact OD2-CD2 3.18Å; D346-H364 IonicContact OD2-CG 3.45Å
347	C	77.2	Confident	69.3	Low	54 Å²	54	91.3 Å²	91.3	37%	0.365	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.4	14.9	-179.7	76.9	0	0	0	0	115.4	C344 A345 K349 H360	C344-C347 PolarHBondContact SG-N 3.35Å; A345-C347 VanDerWaalsContact C-N 3.31Å; A345-C347 PolarHBondContact O-N 3.32Å; C347-K349 PolarHBondContact O-N 2.97Å; C347-H360 VanDerWaalsContact SG-CE1 3.59Å; C347-H360 PolarHBondContact SG-NE2 2.95Å
348	G	74.5	Confident	71.1	Confident	37 Å²	37	86.4 Å²	86.4	38%	0.381	46%	0.462	S	S	.	.			trans	70	-13.5	174.5	0	0	0	0	0	116.9	R343 C344	R343-G348 WeakPolarHBondContact CG-O 3.46Å; R343-G348 PolarHBondContact NH1-O 2.84Å; C344-G348 WeakPolarHBondContact O-CA 3.44Å; C344-G348 PolarHBondContact O-N 3.39Å
349	K	68.3	Low	72.9	Confident	123 Å²	123	86.9 Å²	86.9	54%	0.535	45%	0.447	S	S	.	.			trans	-59.5	139.4	-175.5	-70	-176.1	-178.9	-175.5	0	112.4	R343 C344 C347 F351	R343-K349 WeakPolarHBondContact CA-O 3.4Å; C344-K349 PolarHBondContact N-O 3.09Å; C347-K349 PolarHBondContact O-N 2.97Å; K349-F351 HydrophobicContact CB-CE2 3.6Å; K349-F351 HydrophobicContact CB-CZ 3.92Å; K349-F351 HydrophobicContact CD-CZ 4.4Å
350	F	75.4	Confident	74	Confident	105 Å²	105	79.1 Å²	79.1	46%	0.461	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	142.6	-179	-173.6	-107	0	0	0	110.7	G341 H342 R343 L352	G341-F350 VanDerWaalsContact CA-CZ 3.5Å; G341-F350 WeakPolarHBondContact O-CE2 3.16Å; H342-F350 CarbonylContact O-C 3.39Å; H342-F350 WeakPolarHBondContact O-CA 3.4Å; R343-F350 HydrophobicContact CB-CD2 4.35Å; F350-L352 HydrophobicContact CE1-CD2 3.85Å
351	F	79.1	Confident	74.7	Confident	44 Å²	44	72.4 Å²	72.4	19%	0.193	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	121.9	-176.8	-60.8	-90.6	0	0	0	109.3	H342 C344 K349 Q353 N356 F357 H360	H342-F351 PolarHBondContact N-O 2.75Å; H342-F351 PolarHBondContact O-N 3.3Å; C344-F351 HydrophobicContact CB-CE2 4.49Å; K349-F351 HydrophobicContact CB-CE2 3.6Å; K349-F351 HydrophobicContact CB-CZ 3.92Å; K349-F351 HydrophobicContact CD-CZ 4.4Å; F351-Q353 VanDerWaalsContact C-N 3.34Å; F351-Q353 PolarHBondContact O-N 2.84Å; F351-N356 HydrophobicContact CD1-CB 4.08Å; F351-F357 HydrophobicContact CB-CB 3.99Å; F351-F357 HydrophobicContact CD2-CB 4.35Å; F351-F357 HydrophobicContact CD2-CD2 4Å; F351-F357 HydrophobicContact CG-CB 4.29Å; F351-H360 HydrophobicContact CE1-CB 3.93Å; F351-H360 HydrophobicContact CE2-CB 3.96Å; F351-H360 AromaticContact CE2-CD2 3.29Å; F351-H360 WeakPolarHBondContact CE2-CD2 3.47Å; F351-H360 AromaticContact CE2-CG 3.6Å; F351-H360 AromaticContact CE2-NE2 3.99Å; F351-H360 HydrophobicContact CZ-CB 3.52Å; F351-H360 AromaticContact CZ-CD2 3.44Å; F351-H360 VanDerWaalsContact CZ-CD2 3.44Å; F351-H360 WeakPolarHBondContact CZ-CD2 3.18Å; F351-H360 AromaticContact CZ-CG 3.24Å; F351-H360 AromaticContact CZ-ND1 3.77Å
352	L	73.9	Confident	75.3	Confident	124 Å²	124	74.4 Å²	74.4	65%	0.649	39%	0.387	S	S	*	.	S	Bend	trans	-64.3	-39	177.6	-65.2	168.5	0	0	0	111.6	F350	F350-L352 HydrophobicContact CE1-CD2 3.85Å
353	Q	76.3	Confident	75.2	Confident	115 Å²	115	76.4 Å²	76.4	54%	0.537	40%	0.399	S	S	.	.	S	Bend	trans	-98.3	133.6	-179.2	-64.8	179.8	-12.3	0	0	113.2	F351 S355 N356 F357	F351-Q353 VanDerWaalsContact C-N 3.34Å; F351-Q353 PolarHBondContact O-N 2.84Å; Q353-S355 VanDerWaalsContact C-N 3.28Å; Q353-S355 PolarHBondContact O-N 3.02Å; Q353-N356 PolarHBondContact O-N 3.4Å; Q353-N356 PolarHBondContact OE1-ND2 2.99Å; Q353-F357 PolarHBondContact O-N 2.81Å; Q353-F357 VanDerWaalsContact O-N 3.08Å
354	A	74.6	Confident	75.1	Confident	44 Å²	44	72.2 Å²	72.2	36%	0.364	39%	0.387	S	S	.	.	H	α-helix	trans	-57.6	-36.8	175.1	0	0	0	0	0	113.4	H342 F357 I358	H342-A354 WeakPolarHBondContact NE2-CB 3.42Å; A354-F357 PolarHBondContact O-N 3.37Å; A354-I358 WeakPolarHBondContact O-CB 3.49Å; A354-I358 WeakPolarHBondContact O-CD1 3.23Å; A354-I358 VanDerWaalsContact O-CG1 3.23Å; A354-I358 WeakPolarHBondContact O-CG1 3.39Å; A354-I358 PolarHBondContact O-N 3.03Å
355	S	74	Confident	74.7	Confident	68 Å²	68	75.8 Å²	75.8	48%	0.476	41%	0.408	S	S	.	.	H	α-helix	trans	-56.6	-50.9	176.5	50.4	0	0	0	0	111.8	Q353 I358 Q359	Q353-S355 VanDerWaalsContact C-N 3.28Å; Q353-S355 PolarHBondContact O-N 3.02Å; S355-I358 PolarHBondContact O-N 3.08Å; S355-Q359 WeakPolarHBondContact O-CB 3.4Å; S355-Q359 PolarHBondContact O-N 3.12Å
356	N	72.6	Confident	74.6	Confident	67 Å²	67	73.2 Å²	73.2	36%	0.358	39%	0.392	S	S	.	.	H	α-helix	trans	-68.8	-36.9	179.5	-64.8	-30	0	0	0	111.4	F351 Q353 Q359 H360	F351-N356 HydrophobicContact CD1-CB 4.08Å; Q353-N356 PolarHBondContact O-N 3.4Å; Q353-N356 PolarHBondContact OE1-ND2 2.99Å; N356-Q359 PolarHBondContact O-N 2.8Å; N356-H360 VanDerWaalsContact O-CB 3.22Å; N356-H360 WeakPolarHBondContact O-CB 3.38Å; N356-H360 PolarHBondContact O-N 3.11Å
357	F	77.1	Confident	74.7	Confident	36 Å²	36	71.9 Å²	71.9	16%	0.158	38%	0.382	C	S	.	.	H	α-helix	trans	-61.7	-46.9	172.2	175.7	-126.3	0	0	0	112.8	H342 C344 F351 Q353 A354 H360 R361	H342-F357 HydrophobicContact CB-CB 3.71Å; H342-F357 HydrophobicContact CB-CD1 3.54Å; H342-F357 HydrophobicContact CB-CD2 4.02Å; H342-F357 HydrophobicContact CB-CE1 4.14Å; H342-F357 HydrophobicContact CB-CG 3.46Å; H342-F357 VanDerWaalsContact CB-CG 3.46Å; H342-F357 AromaticContact CG-CD1 3.86Å; C344-F357 HydrophobicContact CB-CE2 4.02Å; F351-F357 HydrophobicContact CB-CB 3.99Å; F351-F357 HydrophobicContact CD2-CB 4.35Å; F351-F357 HydrophobicContact CD2-CD2 4Å; F351-F357 HydrophobicContact CG-CB 4.29Å; Q353-F357 PolarHBondContact O-N 2.81Å; Q353-F357 VanDerWaalsContact O-N 3.08Å; A354-F357 PolarHBondContact O-N 3.37Å; F357-H360 PolarHBondContact O-N 3.01Å; F357-R361 WeakPolarHBondContact O-CB 3.46Å; F357-R361 PolarHBondContact O-N 3.38Å
358	I	76.6	Confident	74.8	Confident	64 Å²	64	75.1 Å²	75.1	33%	0.328	39%	0.39	S	S	.	.	H	α-helix	trans	-64.8	-45.7	178	-68.6	162	0	0	0	110.1	A354 S355 H360 R361 R362	A354-I358 WeakPolarHBondContact O-CB 3.49Å; A354-I358 WeakPolarHBondContact O-CD1 3.23Å; A354-I358 VanDerWaalsContact O-CG1 3.23Å; A354-I358 WeakPolarHBondContact O-CG1 3.39Å; A354-I358 PolarHBondContact O-N 3.03Å; S355-I358 PolarHBondContact O-N 3.08Å; I358-H360 VanDerWaalsContact C-N 3.28Å; I358-H360 PolarHBondContact O-N 2.9Å; I358-R361 PolarHBondContact O-N 2.72Å; I358-R362 WeakPolarHBondContact O-CG 3.41Å; I358-R362 PolarHBondContact O-N 3.15Å
359	Q	76.4	Confident	74.9	Confident	77 Å²	77	76.6 Å²	76.6	36%	0.36	39%	0.392	S	S	.	.	H	α-helix	trans	-58.8	-40.5	176.1	-167.8	-161.2	99.9	0	0	111.9	S355 N356 Q381	S355-Q359 WeakPolarHBondContact O-CB 3.4Å; S355-Q359 PolarHBondContact O-N 3.12Å; N356-Q359 PolarHBondContact O-N 2.8Å; Q359-Q381 HydrophobicContact CG-CG 4.01Å
360	H	75.2	Confident	75.8	Confident	16 Å²	16	73.4 Å²	73.4	7%	0.074	38%	0.379	C	S	.	.	H	α-helix	trans	-67.7	-42.4	174.9	173.3	64	0	0	0	112.5	C347 F351 N356 F357 I358 R362 I363 H364	C347-H360 VanDerWaalsContact SG-CE1 3.59Å; C347-H360 PolarHBondContact SG-NE2 2.95Å; F351-H360 HydrophobicContact CE1-CB 3.93Å; F351-H360 HydrophobicContact CE2-CB 3.96Å; F351-H360 AromaticContact CE2-CD2 3.29Å; F351-H360 WeakPolarHBondContact CE2-CD2 3.47Å; F351-H360 AromaticContact CE2-CG 3.6Å; F351-H360 AromaticContact CE2-NE2 3.99Å; F351-H360 HydrophobicContact CZ-CB 3.52Å; F351-H360 AromaticContact CZ-CD2 3.44Å; F351-H360 VanDerWaalsContact CZ-CD2 3.44Å; F351-H360 WeakPolarHBondContact CZ-CD2 3.18Å; F351-H360 AromaticContact CZ-CG 3.24Å; F351-H360 AromaticContact CZ-ND1 3.77Å; N356-H360 VanDerWaalsContact O-CB 3.22Å; N356-H360 WeakPolarHBondContact O-CB 3.38Å; N356-H360 PolarHBondContact O-N 3.11Å; F357-H360 PolarHBondContact O-N 3.01Å; I358-H360 VanDerWaalsContact C-N 3.28Å; I358-H360 PolarHBondContact O-N 2.9Å; H360-R362 PolarHBondContact O-N 3.46Å; H360-I363 WeakPolarHBondContact O-CB 3.13Å; H360-I363 VanDerWaalsContact O-CG1 3.29Å; H360-I363 WeakPolarHBondContact O-CG1 3.23Å; H360-I363 PolarHBondContact O-N 3.43Å; H360-H364 AromaticContact CE1-NE2 3.45Å; H360-H364 PolarHBondContact CE1-NE2 3.14Å; H360-H364 AromaticContact NE2-CD2 3.93Å; H360-H364 AromaticContact NE2-NE2 3.1Å; H360-H364 PolarHBondContact NE2-NE2 2.87Å; H360-H364 VanDerWaalsContact NE2-NE2 3.1Å
361	R	72.6	Confident	75.9	Confident	87 Å²	87	75.6 Å²	75.6	33%	0.328	39%	0.388	S	S	.	.	H	α-helix	trans	-59.5	-32.7	179.7	-169.2	174.3	68.4	-120.5	5.6	112.6	F357 I358 I363 H364 T365	F357-R361 WeakPolarHBondContact O-CB 3.46Å; F357-R361 PolarHBondContact O-N 3.38Å; I358-R361 PolarHBondContact O-N 2.72Å; R361-I363 PolarHBondContact O-N 2.8Å; R361-I363 VanDerWaalsContact O-N 3.11Å; R361-H364 PolarHBondContact O-N 2.69Å; R361-T365 HydrophobicContact CG-CG2 4.26Å; R361-T365 PolarHBondContact O-N 2.81Å; R361-T365 PolarHBondContact O-OG1 3.2Å
362	R	79.4	Confident	76.4	Confident	59 Å²	59	73.6 Å²	73.6	22%	0.223	38%	0.38	C	S	.	.	H	α-helix	trans	-60.5	-15.9	172.4	-63.6	-172.6	-179.1	144.6	7.4	114.7	I358 H360 T365 G366 E367 N380	I358-R362 WeakPolarHBondContact O-CG 3.41Å; I358-R362 PolarHBondContact O-N 3.15Å; H360-R362 PolarHBondContact O-N 3.46Å; R362-T365 WeakPolarHBondContact CA-OG1 3.47Å; R362-G366 WeakPolarHBondContact O-CA 3.33Å; R362-G366 PolarHBondContact O-N 2.68Å; R362-E367 HydrophobicContact CB-CB 4.05Å; R362-E367 HydrophobicContact CG-CB 3.79Å; R362-E367 IonicContact NE-OE2 3.68Å; R362-E367 PolarHBondContact O-N 3Å; R362-N380 HydrophobicContact CB-CB 4.47Å; R362-N380 PolarHBondContact NH1-O 3.37Å
363	I	72.7	Confident	76.7	Confident	110 Å²	110	71.8 Å²	71.8	56%	0.564	39%	0.391	S	S	*	.	H	α-helix	trans	-72.3	-36.2	172.8	-56.2	175.3	0	0	0	110.3	H360 R361	H360-I363 WeakPolarHBondContact O-CB 3.13Å; H360-I363 VanDerWaalsContact O-CG1 3.29Å; H360-I363 WeakPolarHBondContact O-CG1 3.23Å; H360-I363 PolarHBondContact O-N 3.43Å; R361-I363 PolarHBondContact O-N 2.8Å; R361-I363 VanDerWaalsContact O-N 3.11Å
364	H	73.3	Confident	76.8	Confident	79 Å²	79	71.8 Å²	71.8	37%	0.366	39%	0.391	S	S	.	.	H	α-helix	trans	-86.1	-43.3	-180	-52.6	-52.8	0	0	0	112.1	C344 D346 H360 R361 G366	C344-H364 VanDerWaalsContact SG-CD2 3.58Å; C344-H364 PolarHBondContact SG-NE2 3.42Å; D346-H364 HydrophobicContact CB-CB 4.39Å; D346-H364 IonicContact OD2-CD2 3.6Å; D346-H364 PolarHBondContact OD2-CD2 3.18Å; D346-H364 IonicContact OD2-CG 3.45Å; H360-H364 AromaticContact CE1-NE2 3.45Å; H360-H364 PolarHBondContact CE1-NE2 3.14Å; H360-H364 AromaticContact NE2-CD2 3.93Å; H360-H364 AromaticContact NE2-NE2 3.1Å; H360-H364 PolarHBondContact NE2-NE2 2.87Å; H360-H364 VanDerWaalsContact NE2-NE2 3.1Å; R361-H364 PolarHBondContact O-N 2.69Å; H364-G366 PolarHBondContact O-N 3.46Å
365	T	71.4	Confident	77	Confident	76 Å²	76	72 Å²	72	47%	0.466	39%	0.389	S	S	.	.	S	Bend	trans	-74.6	-11.3	177	62.4	0	0	0	0	113.4	R361 R362 E367	R361-T365 HydrophobicContact CG-CG2 4.26Å; R361-T365 PolarHBondContact O-N 2.81Å; R361-T365 PolarHBondContact O-OG1 3.2Å; R362-T365 WeakPolarHBondContact CA-OG1 3.47Å; T365-E367 WeakPolarHBondContact CB-OE1 3.4Å; T365-E367 PolarHBondContact O-N 2.86Å; T365-E367 VanDerWaalsContact O-N 3.16Å; T365-E367 VanDerWaalsContact OG1-CD 3.24Å; T365-E367 WeakPolarHBondContact OG1-CG 3.49Å; T365-E367 PolarHBondContact OG1-OE1 3.04Å
366	G	73.4	Confident	77.3	Confident	45 Å²	45	71.3 Å²	71.3	46%	0.464	39%	0.392	S	S	.	.			trans	70.3	3	-178.4	0	0	0	0	0	114.9	R362 H364 K368	R362-G366 WeakPolarHBondContact O-CA 3.33Å; R362-G366 PolarHBondContact O-N 2.68Å; H364-G366 PolarHBondContact O-N 3.46Å; G366-K368 PolarHBondContact O-N 3.5Å
367	E	73.9	Confident	77.7	Confident	79 Å²	79	72.8 Å²	72.8	37%	0.369	40%	0.396	S	S	.	.			trans	-52.1	125.3	-178.7	-83.3	167	-118	0	0	112.7	R362 T365	R362-E367 HydrophobicContact CB-CB 4.05Å; R362-E367 HydrophobicContact CG-CB 3.79Å; R362-E367 IonicContact NE-OE2 3.68Å; R362-E367 PolarHBondContact O-N 3Å; T365-E367 WeakPolarHBondContact CB-OE1 3.4Å; T365-E367 PolarHBondContact O-N 2.86Å; T365-E367 VanDerWaalsContact O-N 3.16Å; T365-E367 VanDerWaalsContact OG1-CD 3.24Å; T365-E367 WeakPolarHBondContact OG1-CG 3.49Å; T365-E367 PolarHBondContact OG1-OE1 3.04Å
368	K	80.9	Confident	77.9	Confident	123 Å²	123	73.2 Å²	73.2	54%	0.535	40%	0.403	S	S	.	.			trans	-130.5	77.2	177.6	-73.3	160	178.9	176.8	0	110.5	G366 F370 S378 Y379	G366-K368 PolarHBondContact O-N 3.5Å; K368-F370 VanDerWaalsContact C-N 3.27Å; K368-F370 PolarHBondContact O-N 3.41Å; K368-S378 VanDerWaalsContact CB-CB 3.47Å; K368-S378 WeakPolarHBondContact CD-O 3.49Å; K368-Y379 CarbonylContact C-O 3.58Å; K368-Y379 WeakPolarHBondContact CA-O 3.41Å
369	P	77	Confident	78.3	Confident	67 Å²	67	72.8 Å²	72.8	44%	0.435	40%	0.397	S	S	.	.			trans	-65.4	-27.7	-173.3	-22	34.7	0	0	0	113.9	K371 Y379	P369-K371 PolarHBondContact O-N 3.28Å; P369-Y379 WeakPolarHBondContact CD-O 3.44Å
370	F	85.6	Confident	78.3	Confident	56 Å²	56	71 Å²	71	25%	0.246	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	95.9	-169.2	-55.1	-78.8	0	0	0	110.5	K368 S378 Y379 R382 L385	K368-F370 VanDerWaalsContact C-N 3.27Å; K368-F370 PolarHBondContact O-N 3.41Å; F370-S378 CarbonylContact O-C 3.58Å; F370-S378 WeakPolarHBondContact O-CA 3.29Å; F370-Y379 WeakPolarHBondContact CD2-O 3.32Å; F370-Y379 PolarHBondContact N-O 3.22Å; F370-Y379 PolarHBondContact O-N 3.11Å; F370-R382 HydrophobicContact CD1-CB 3.95Å; F370-R382 HydrophobicContact CD1-CG 4.43Å; F370-R382 HydrophobicContact CE1-CB 3.83Å; F370-R382 HydrophobicContact CE1-CG 4.5Å; F370-R382 HydrophobicContact CG-CB 4.42Å; F370-R382 HydrophobicContact CZ-CB 4.2Å; F370-L385 HydrophobicContact CB-CB 4.03Å; F370-L385 HydrophobicContact CB-CD2 3.84Å
371	K	79.1	Confident	78.5	Confident	152 Å²	152	72 Å²	72	66%	0.661	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	138.4	179.9	-56.6	-175.6	-175.8	173.7	0	111.6	P369 L385	P369-K371 PolarHBondContact O-N 3.28Å; K371-L385 WeakPolarHBondContact O-CD2 3.39Å
372	C	87.9	Confident	78.9	Confident	2 Å²	2	75.3 Å²	75.3	1%	0.014	41%	0.408	C	S	.	.			trans	-81.5	121.2	168.5	173.9	0	0	0	0	109.9	E374 C375 G376 K377 L385 H392	C372-E374 PolarHBondContact O-N 3.44Å; C372-C375 VanDerWaalsContact SG-SG 3.69Å; C372-G376 VanDerWaalsContact O-CA 3.25Å; C372-G376 WeakPolarHBondContact O-CA 3.49Å; C372-G376 PolarHBondContact O-N 2.74Å; C372-K377 WeakPolarHBondContact CB-O 3.36Å; C372-K377 PolarHBondContact N-O 2.87Å; C372-L385 HydrophobicContact CB-CD1 3.52Å; C372-H392 PolarHBondContact SG-NE2 3.32Å
373	G	81.3	Confident	78.8	Confident	85 Å²	85	77 Å²	77	88%	0.876	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-41.6	178.2	0	0	0	0	0	113	C375	G373-C375 VanDerWaalsContact C-N 3.3Å; G373-C375 PolarHBondContact O-N 3.25Å
374	E	77.3	Confident	79.2	Confident	116 Å²	116	74.8 Å²	74.8	54%	0.542	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-20.1	-173.7	-58.3	160.7	109.4	0	0	114.3	C372 H392	C372-E374 PolarHBondContact O-N 3.44Å; E374-H392 WeakPolarHBondContact OE1-CB 3.46Å; E374-H392 IonicContact OE1-CG 3.48Å; E374-H392 IonicContact OE2-CD2 2.65Å; E374-H392 PolarHBondContact OE2-CD2 3.17Å; E374-H392 IonicContact OE2-CG 3.98Å
375	C	78.9	Confident	79.7	Confident	49 Å²	49	72 Å²	72	33%	0.331	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.7	16	-177.9	78.9	0	0	0	0	115.8	C372 G373 K377 H388 H392	C372-C375 VanDerWaalsContact SG-SG 3.69Å; G373-C375 VanDerWaalsContact C-N 3.3Å; G373-C375 PolarHBondContact O-N 3.25Å; C375-K377 PolarHBondContact O-N 3.1Å; C375-K377 PolarHBondContact SG-NZ 3.31Å; C375-H388 PolarHBondContact SG-NE2 3.22Å; C375-H392 PolarHBondContact SG-NE2 3.43Å; C375-H392 VanDerWaalsContact SG-NE2 3.36Å
376	G	80.1	Confident	80.2	Confident	52 Å²	52	71.6 Å²	71.6	54%	0.536	40%	0.396	S	S	.	.			trans	64.5	0.2	176.1	0	0	0	0	0	117.1	C372 S378	C372-G376 VanDerWaalsContact O-CA 3.25Å; C372-G376 WeakPolarHBondContact O-CA 3.49Å; C372-G376 PolarHBondContact O-N 2.74Å; G376-S378 PolarHBondContact O-N 3.32Å; G376-S378 PolarHBondContact O-OG 2.96Å
377	K	81.1	Confident	80.6	Confident	99 Å²	99	73.2 Å²	73.2	43%	0.43	39%	0.392	S	S	.	.			trans	-71.5	129.6	-175.6	-69	-167.3	-150.6	92.3	0	111	C372 C375 Y379 H388	C372-K377 WeakPolarHBondContact CB-O 3.36Å; C372-K377 PolarHBondContact N-O 2.87Å; C375-K377 PolarHBondContact O-N 3.1Å; C375-K377 PolarHBondContact SG-NZ 3.31Å; K377-Y379 HydrophobicContact CB-CE2 3.73Å; K377-Y379 WeakPolarHBondContact O-CD2 3.29Å; K377-Y379 WeakPolarHBondContact O-CE2 3.38Å; K377-H388 PolarHBondContact NZ-CE1 3.29Å; K377-H388 PolarHBondContact NZ-NE2 2.79Å; K377-H388 VanDerWaalsContact NZ-NE2 3.1Å
378	S	82.1	Confident	81	Confident	44 Å²	44	70.2 Å²	70.2	31%	0.308	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.7	-174.7	-38.8	0	0	0	0	112.5	K368 F370 G376	K368-S378 VanDerWaalsContact CB-CB 3.47Å; K368-S378 WeakPolarHBondContact CD-O 3.49Å; F370-S378 CarbonylContact O-C 3.58Å; F370-S378 WeakPolarHBondContact O-CA 3.29Å; G376-S378 PolarHBondContact O-N 3.32Å; G376-S378 PolarHBondContact O-OG 2.96Å
379	Y	84.7	Confident	80.9	Confident	55 Å²	55	68.1 Å²	68.1	22%	0.216	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	151.5	-176.2	-63	-90.1	0	0	0	111.7	K368 P369 F370 K377 H384 L385 H388	K368-Y379 CarbonylContact C-O 3.58Å; K368-Y379 WeakPolarHBondContact CA-O 3.41Å; P369-Y379 WeakPolarHBondContact CD-O 3.44Å; F370-Y379 WeakPolarHBondContact CD2-O 3.32Å; F370-Y379 PolarHBondContact N-O 3.22Å; F370-Y379 PolarHBondContact O-N 3.11Å; K377-Y379 HydrophobicContact CB-CE2 3.73Å; K377-Y379 WeakPolarHBondContact O-CD2 3.29Å; K377-Y379 WeakPolarHBondContact O-CE2 3.38Å; Y379-H384 HydrophobicContact CD1-CB 3.66Å; Y379-H384 HydrophobicContact CG-CB 4.14Å; Y379-L385 HydrophobicContact CD2-CB 4.17Å; Y379-L385 HydrophobicContact CD2-CD1 4.17Å; Y379-L385 HydrophobicContact CE2-CD1 4.5Å; Y379-L385 HydrophobicContact CG-CB 4.45Å; Y379-H388 HydrophobicContact CE1-CB 4.38Å; Y379-H388 HydrophobicContact CE2-CB 3.94Å; Y379-H388 AromaticContact CE2-CD2 3.49Å; Y379-H388 VanDerWaalsContact CE2-CD2 3.49Å; Y379-H388 WeakPolarHBondContact CE2-CD2 3.46Å; Y379-H388 AromaticContact CE2-CG 3.93Å; Y379-H388 AromaticContact CZ-CD2 3.58Å; Y379-H388 AromaticContact CZ-CG 3.7Å; Y379-H388 PolarHBondContact OH-CD2 2.98Å
380	N	76.4	Confident	81.2	Confident	39 Å²	39	67.8 Å²	67.8	21%	0.209	36%	0.36	C	S	.	.	S	Bend	trans	-82.2	-14.2	-179.6	60.9	-12.6	0	0	0	114	R362 H384	R362-N380 HydrophobicContact CB-CB 4.47Å; R362-N380 PolarHBondContact NH1-O 3.37Å; N380-H384 PolarHBondContact OD1-ND1 3.45Å
381	Q	79.9	Confident	81	Confident	38 Å²	38	68.1 Å²	68.1	18%	0.178	37%	0.367	C	S	.	.	S	Bend	trans	-139.5	145	-178.6	-56.4	176	14.7	0	0	110.5	Q359 V383 H384 L385	Q359-Q381 HydrophobicContact CG-CG 4.01Å; Q381-V383 HydrophobicContact CB-CG2 4.08Å; Q381-V383 PolarHBondContact O-N 3.33Å; Q381-H384 VanDerWaalsContact CD-CE1 3.48Å; Q381-H384 PolarHBondContact O-N 3.1Å; Q381-H384 PolarHBondContact OE1-CE1 3.28Å; Q381-H384 VanDerWaalsContact OE1-CE1 3.26Å; Q381-L385 PolarHBondContact O-N 3.07Å
382	R	79.6	Confident	81	Confident	157 Å²	157	64.2 Å²	64.2	59%	0.592	35%	0.35	S	S	*	.	H	α-helix	trans	-58.8	-43.7	178.1	-173.5	-176.2	-82.7	-175.9	-5.4	111.9	F370 H384 L385 T386	F370-R382 HydrophobicContact CD1-CB 3.95Å; F370-R382 HydrophobicContact CD1-CG 4.43Å; F370-R382 HydrophobicContact CE1-CB 3.83Å; F370-R382 HydrophobicContact CE1-CG 4.5Å; F370-R382 HydrophobicContact CG-CB 4.42Å; F370-R382 HydrophobicContact CZ-CB 4.2Å; R382-H384 VanDerWaalsContact C-N 3.26Å; R382-H384 PolarHBondContact O-N 3.43Å; R382-L385 WeakPolarHBondContact O-CA 3.2Å; R382-L385 WeakPolarHBondContact O-CB 3.26Å; R382-L385 PolarHBondContact O-N 3.24Å; R382-T386 PolarHBondContact O-N 2.81Å; R382-T386 PolarHBondContact O-OG1 2.91Å
383	V	78.6	Confident	80.4	Confident	94 Å²	94	67.8 Å²	67.8	57%	0.57	37%	0.373	S	S	*	.	H	α-helix	trans	-57.6	-34.7	-179.5	-63.6	0	0	0	0	113.6	Q381 Q387	Q381-V383 HydrophobicContact CB-CG2 4.08Å; Q381-V383 PolarHBondContact O-N 3.33Å; V383-Q387 WeakPolarHBondContact O-CB 3.42Å; V383-Q387 PolarHBondContact O-N 3.32Å
384	H	81.8	Confident	80.2	Confident	64 Å²	64	65.5 Å²	65.5	30%	0.296	35%	0.349	S	S	.	.	H	α-helix	trans	-73.5	-28.7	175.8	-63.6	143.9	0	0	0	112.7	Y379 N380 Q381 R382 H388	Y379-H384 HydrophobicContact CD1-CB 3.66Å; Y379-H384 HydrophobicContact CG-CB 4.14Å; N380-H384 PolarHBondContact OD1-ND1 3.45Å; Q381-H384 VanDerWaalsContact CD-CE1 3.48Å; Q381-H384 PolarHBondContact O-N 3.1Å; Q381-H384 PolarHBondContact OE1-CE1 3.28Å; Q381-H384 VanDerWaalsContact OE1-CE1 3.26Å; R382-H384 VanDerWaalsContact C-N 3.26Å; R382-H384 PolarHBondContact O-N 3.43Å; H384-H388 WeakPolarHBondContact O-CB 3.49Å; H384-H388 PolarHBondContact O-N 2.94Å
385	L	83.1	Confident	80.2	Confident	21 Å²	21	64.1 Å²	64.1	11%	0.11	34%	0.342	C	S	.	.	H	α-helix	trans	-71.1	-48.3	171.1	172.2	60	0	0	0	110.8	F370 K371 C372 Y379 Q381 R382 Q387 H388 Q389	F370-L385 HydrophobicContact CB-CB 4.03Å; F370-L385 HydrophobicContact CB-CD2 3.84Å; K371-L385 WeakPolarHBondContact O-CD2 3.39Å; C372-L385 HydrophobicContact CB-CD1 3.52Å; Y379-L385 HydrophobicContact CD2-CB 4.17Å; Y379-L385 HydrophobicContact CD2-CD1 4.17Å; Y379-L385 HydrophobicContact CE2-CD1 4.5Å; Y379-L385 HydrophobicContact CG-CB 4.45Å; Q381-L385 PolarHBondContact O-N 3.07Å; R382-L385 WeakPolarHBondContact O-CA 3.2Å; R382-L385 WeakPolarHBondContact O-CB 3.26Å; R382-L385 PolarHBondContact O-N 3.24Å; L385-Q387 VanDerWaalsContact C-N 3.33Å; L385-Q387 PolarHBondContact O-N 3.3Å; L385-H388 CarbonylContact O-C 3.14Å; L385-H388 VanDerWaalsContact O-CA 3.3Å; L385-H388 WeakPolarHBondContact O-CA 3.48Å; L385-H388 WeakPolarHBondContact O-CB 3.32Å; L385-H388 PolarHBondContact O-N 3.31Å; L385-Q389 HydrophobicContact CD1-CG 4.25Å; L385-Q389 PolarHBondContact O-N 3.48Å
386	T	81.7	Confident	80.4	Confident	66 Å²	66	66.9 Å²	66.9	41%	0.405	35%	0.348	S	S	.	.	H	α-helix	trans	-60.7	-42.6	177.5	-47.8	0	0	0	0	111.6	R382 H388 Q389	R382-T386 PolarHBondContact O-N 2.81Å; R382-T386 PolarHBondContact O-OG1 2.91Å; T386-H388 PolarHBondContact O-N 2.81Å; T386-Q389 PolarHBondContact O-N 3.01Å
387	Q	81.4	Confident	80.4	Confident	80 Å²	80	66.5 Å²	66.5	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-61.1	-30.8	170.7	-174.2	-171.5	61.1	0	0	112.6	V383 L385 V409	V383-Q387 WeakPolarHBondContact O-CB 3.42Å; V383-Q387 PolarHBondContact O-N 3.32Å; L385-Q387 VanDerWaalsContact C-N 3.33Å; L385-Q387 PolarHBondContact O-N 3.3Å; Q387-V409 HydrophobicContact CG-CG2 3.95Å
388	H	81.8	Confident	80.6	Confident	16 Å²	16	65.4 Å²	65.4	7%	0.074	33%	0.331	C	S	.	.	H	α-helix	trans	-77	-36.7	174.5	-175	27.7	0	0	0	113.1	C375 K377 Y379 H384 L385 T386 R390 V391 H392	C375-H388 PolarHBondContact SG-NE2 3.22Å; K377-H388 PolarHBondContact NZ-CE1 3.29Å; K377-H388 PolarHBondContact NZ-NE2 2.79Å; K377-H388 VanDerWaalsContact NZ-NE2 3.1Å; Y379-H388 HydrophobicContact CE1-CB 4.38Å; Y379-H388 HydrophobicContact CE2-CB 3.94Å; Y379-H388 AromaticContact CE2-CD2 3.49Å; Y379-H388 VanDerWaalsContact CE2-CD2 3.49Å; Y379-H388 WeakPolarHBondContact CE2-CD2 3.46Å; Y379-H388 AromaticContact CE2-CG 3.93Å; Y379-H388 AromaticContact CZ-CD2 3.58Å; Y379-H388 AromaticContact CZ-CG 3.7Å; Y379-H388 PolarHBondContact OH-CD2 2.98Å; H384-H388 WeakPolarHBondContact O-CB 3.49Å; H384-H388 PolarHBondContact O-N 2.94Å; L385-H388 CarbonylContact O-C 3.14Å; L385-H388 VanDerWaalsContact O-CA 3.3Å; L385-H388 WeakPolarHBondContact O-CA 3.48Å; L385-H388 WeakPolarHBondContact O-CB 3.32Å; L385-H388 PolarHBondContact O-N 3.31Å; T386-H388 PolarHBondContact O-N 2.81Å; H388-R390 PolarHBondContact O-N 3.41Å; H388-V391 VanDerWaalsContact ND1-CG2 3.33Å; H388-V391 WeakPolarHBondContact ND1-CG2 3.36Å; H388-V391 WeakPolarHBondContact O-CA 3.27Å; H388-V391 WeakPolarHBondContact O-CB 3.4Å; H388-V391 VanDerWaalsContact O-CG2 3.25Å; H388-V391 WeakPolarHBondContact O-CG2 3.38Å; H388-V391 PolarHBondContact O-N 2.9Å; H388-H392 AromaticContact CE1-NE2 3.66Å; H388-H392 AromaticContact NE2-NE2 3.53Å
389	Q	79.6	Confident	80.5	Confident	79 Å²	79	68.6 Å²	68.6	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-58.4	-34.8	179.9	-72.7	166.6	-80.7	0	0	111.8	L385 T386 V391 H392 T393	L385-Q389 HydrophobicContact CD1-CG 4.25Å; L385-Q389 PolarHBondContact O-N 3.48Å; T386-Q389 PolarHBondContact O-N 3.01Å; Q389-V391 PolarHBondContact O-N 3.3Å; Q389-H392 PolarHBondContact O-N 3.03Å; Q389-T393 PolarHBondContact O-N 3.08Å; Q389-T393 VanDerWaalsContact O-N 3.16Å
390	R	84	Confident	80.5	Confident	59 Å²	59	66 Å²	66	22%	0.223	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-14.4	168.5	-62.2	-175.2	177.7	152.3	5.2	115.1	H388 T393 E395 R408	H388-R390 PolarHBondContact O-N 3.41Å; R390-T393 WeakPolarHBondContact CA-OG1 3.35Å; R390-E395 HydrophobicContact CB-CB 4.21Å; R390-E395 HydrophobicContact CG-CB 4.09Å; R390-E395 IonicContact NE-OE2 3.53Å; R390-R408 PolarHBondContact NH1-O 2.95Å; R390-R408 WeakPolarHBondContact O-CD 3.3Å; R390-R408 PolarHBondContact O-NE 3.1Å; R390-R408 PolarHBondContact O-NH2 3.17Å
391	V	80.9	Confident	80.5	Confident	64 Å²	64	69.2 Å²	69.2	39%	0.388	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-38.5	171.6	178.8	0	0	0	0	111.5	H388 Q389 R408	H388-V391 VanDerWaalsContact ND1-CG2 3.33Å; H388-V391 WeakPolarHBondContact ND1-CG2 3.36Å; H388-V391 WeakPolarHBondContact O-CA 3.27Å; H388-V391 WeakPolarHBondContact O-CB 3.4Å; H388-V391 VanDerWaalsContact O-CG2 3.25Å; H388-V391 WeakPolarHBondContact O-CG2 3.38Å; H388-V391 PolarHBondContact O-N 2.9Å; Q389-V391 PolarHBondContact O-N 3.3Å; V391-R408 VanDerWaalsContact CA-CZ 3.48Å; V391-R408 PolarHBondContact O-NH2 2.91Å
392	H	78.4	Confident	80.3	Confident	69 Å²	69	72.3 Å²	72.3	32%	0.319	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-49.9	-176.1	-54.5	-61.5	0	0	0	111.4	C372 E374 C375 H388 Q389 G394	C372-H392 PolarHBondContact SG-NE2 3.32Å; E374-H392 WeakPolarHBondContact OE1-CB 3.46Å; E374-H392 IonicContact OE1-CG 3.48Å; E374-H392 IonicContact OE2-CD2 2.65Å; E374-H392 PolarHBondContact OE2-CD2 3.17Å; E374-H392 IonicContact OE2-CG 3.98Å; C375-H392 PolarHBondContact SG-NE2 3.43Å; C375-H392 VanDerWaalsContact SG-NE2 3.36Å; H388-H392 AromaticContact CE1-NE2 3.66Å; H388-H392 AromaticContact NE2-NE2 3.53Å; Q389-H392 PolarHBondContact O-N 3.03Å; H392-G394 PolarHBondContact O-N 3.31Å
393	T	76.1	Confident	80	Confident	78 Å²	78	67 Å²	67	48%	0.479	35%	0.35	S	S	.	.	S	Bend	trans	-65.5	-6.1	176.2	66.5	0	0	0	0	114.2	Q389 R390 E395	Q389-T393 PolarHBondContact O-N 3.08Å; Q389-T393 VanDerWaalsContact O-N 3.16Å; R390-T393 WeakPolarHBondContact CA-OG1 3.35Å; T393-E395 VanDerWaalsContact CB-OE1 3.27Å; T393-E395 WeakPolarHBondContact CB-OE1 3.5Å; T393-E395 PolarHBondContact O-N 3.11Å; T393-E395 VanDerWaalsContact OG1-CD 3.27Å; T393-E395 WeakPolarHBondContact OG1-CG 3.21Å; T393-E395 PolarHBondContact OG1-OE1 2.79Å
394	G	77.7	Confident	80	Confident	36 Å²	36	65.4 Å²	65.4	37%	0.371	35%	0.353	S	S	.	.			trans	80	-25.1	178.3	0	0	0	0	0	114.8	H392 R408	H392-G394 PolarHBondContact O-N 3.31Å; G394-R408 PolarHBondContact O-NH2 3.35Å
395	E	76.5	Confident	79.9	Confident	87 Å²	87	67.1 Å²	67.1	41%	0.407	36%	0.36	S	S	.	.			trans	-38.1	135.9	-174.5	-78.2	167	-114.7	0	0	115.5	R390 T393 R408	R390-E395 HydrophobicContact CB-CB 4.21Å; R390-E395 HydrophobicContact CG-CB 4.09Å; R390-E395 IonicContact NE-OE2 3.53Å; T393-E395 VanDerWaalsContact CB-OE1 3.27Å; T393-E395 WeakPolarHBondContact CB-OE1 3.5Å; T393-E395 PolarHBondContact O-N 3.11Å; T393-E395 VanDerWaalsContact OG1-CD 3.27Å; T393-E395 WeakPolarHBondContact OG1-CG 3.21Å; T393-E395 PolarHBondContact OG1-OE1 2.79Å; E395-R408 WeakPolarHBondContact O-CG 3.21Å; E395-R408 PolarHBondContact O-NE 2.88Å
396	K	83.4	Confident	79.9	Confident	107 Å²	107	67.9 Å²	67.9	47%	0.465	37%	0.369	S	S	.	.			trans	-141.4	78.3	173.7	-67.6	158.5	-171	165	0	109.8	Y398 A406 F407 R408	K396-Y398 VanDerWaalsContact C-N 3.27Å; K396-Y398 PolarHBondContact O-N 3.13Å; K396-A406 HydrophobicContact CB-CB 3.5Å; K396-A406 HydrophobicContact CD-CB 4.02Å; K396-A406 HydrophobicContact CG-CB 4.33Å; K396-F407 CarbonylContact C-O 3.49Å; K396-F407 VanDerWaalsContact C-O 3.24Å; K396-F407 VanDerWaalsContact CA-O 3.25Å; K396-F407 WeakPolarHBondContact CA-O 3.5Å; K396-R408 HydrophobicContact CG-CG 3.91Å
397	P	79.9	Confident	80	Confident	45 Å²	45	67.1 Å²	67.1	29%	0.292	36%	0.36	S	S	.	.			trans	-62.6	-32	-173.3	-24.2	35.2	0	0	0	113.9	Q238 K399	Q238-P397 PolarHBondContact NE2-O 3.43Å; P397-K399 PolarHBondContact O-N 2.99Å
398	Y	84.9	Confident	79.9	Confident	76 Å²	76	66.9 Å²	66.9	30%	0.298	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	95.5	-169.7	-52.7	-79.3	0	0	0	110.5	K396 A406 F407	K396-Y398 VanDerWaalsContact C-N 3.27Å; K396-Y398 PolarHBondContact O-N 3.13Å; Y398-A406 CarbonylContact O-C 3.46Å; Y398-A406 WeakPolarHBondContact O-CA 3.31Å; Y398-F407 PolarHBondContact N-O 3.39Å; Y398-F407 PolarHBondContact O-N 3.33Å
399	K	79.9	Confident	79.9	Confident	110 Å²	110	67 Å²	67	48%	0.478	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.3	179.8	-62.7	175.8	-176.9	169.2	0	110.9	P397 A406	P397-K399 PolarHBondContact O-N 2.99Å; K399-A406 HydrophobicContact CG-CB 4.02Å
400	C	84	Confident	79.8	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	109.6	172.2	-173.8	0	0	0	0	110.2	V402 C403 G404 K405 F407 L413 H417 H420	C400-V402 VanDerWaalsContact C-N 3.27Å; C400-V402 PolarHBondContact O-N 3.37Å; C400-C403 PolarHBondContact O-N 3.23Å; C400-G404 WeakPolarHBondContact O-CA 3.28Å; C400-G404 PolarHBondContact O-N 3.48Å; C400-K405 WeakPolarHBondContact CB-O 3.44Å; C400-K405 PolarHBondContact N-O 3.14Å; C400-F407 HydrophobicContact CB-CE2 4.42Å; C400-L413 HydrophobicContact CB-CD1 3.42Å; C400-L413 VanDerWaalsContact CB-CD1 3.42Å; C400-H417 VanDerWaalsContact SG-CD2 3.54Å; C400-H420 VanDerWaalsContact SG-CD2 3.53Å; C400-H420 PolarHBondContact SG-NE2 2.99Å
401	Q	77.8	Confident	79.4	Confident	107 Å²	107	65.8 Å²	65.8	50%	0.5	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-35.6	-175	-50.1	-58.7	33.4	0	0	112.6	H233 C403	H233-Q401 PolarHBondContact O-NE2 3.12Å; Q401-C403 PolarHBondContact O-N 3.5Å; Q401-C403 VanDerWaalsContact O-N 3.14Å
402	V	75.4	Confident	79.4	Confident	104 Å²	104	67.3 Å²	67.3	63%	0.63	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.3	-178.7	-170.7	0	0	0	0	113.4	C400 H420	C400-V402 VanDerWaalsContact C-N 3.27Å; C400-V402 PolarHBondContact O-N 3.37Å; V402-H420 HydrophobicContact CB-CB 4.5Å; V402-H420 HydrophobicContact CG1-CB 4.09Å
403	C	73.9	Confident	79.5	Confident	45 Å²	45	64.9 Å²	64.9	30%	0.304	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.3	21	-179.4	70.8	0	0	0	0	116.2	C400 Q401 K405 H416 H420	C400-C403 PolarHBondContact O-N 3.23Å; Q401-C403 PolarHBondContact O-N 3.5Å; Q401-C403 VanDerWaalsContact O-N 3.14Å; C403-K405 PolarHBondContact O-N 3.45Å; C403-K405 PolarHBondContact SG-NZ 3.15Å; C403-H416 PolarHBondContact SG-NE2 3.16Å; C403-H420 WeakPolarHBondContact CB-CE1 3.45Å; C403-H420 PolarHBondContact SG-CE1 3.47Å; C403-H420 PolarHBondContact SG-NE2 3.42Å
404	G	77.1	Confident	79.4	Confident	61 Å²	61	64.8 Å²	64.8	63%	0.629	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	6.4	177.8	0	0	0	0	0	117.1	C400 A406	C400-G404 WeakPolarHBondContact O-CA 3.28Å; C400-G404 PolarHBondContact O-N 3.48Å; G404-A406 PolarHBondContact O-N 3.09Å
405	K	80	Confident	79.3	Confident	100 Å²	100	66.8 Å²	66.8	44%	0.435	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	123	-174.7	-68.8	-167.8	-151.3	80.3	0	110.6	C400 C403 F407 H416	C400-K405 WeakPolarHBondContact CB-O 3.44Å; C400-K405 PolarHBondContact N-O 3.14Å; C403-K405 PolarHBondContact O-N 3.45Å; C403-K405 PolarHBondContact SG-NZ 3.15Å; K405-F407 HydrophobicContact CB-CE2 3.83Å; K405-F407 HydrophobicContact CB-CZ 4.13Å; K405-F407 WeakPolarHBondContact O-CD2 3.46Å; K405-F407 VanDerWaalsContact O-CE2 3.27Å; K405-F407 WeakPolarHBondContact O-CE2 3.48Å; K405-H416 PolarHBondContact NZ-NE2 3.38Å; K405-H416 VanDerWaalsContact NZ-NE2 3.13Å
406	A	83.4	Confident	79.4	Confident	37 Å²	37	63.4 Å²	63.4	31%	0.306	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.4	-177.8	0	0	0	0	0	112.6	K396 Y398 K399 G404	K396-A406 HydrophobicContact CB-CB 3.5Å; K396-A406 HydrophobicContact CD-CB 4.02Å; K396-A406 HydrophobicContact CG-CB 4.33Å; Y398-A406 CarbonylContact O-C 3.46Å; Y398-A406 WeakPolarHBondContact O-CA 3.31Å; K399-A406 HydrophobicContact CG-CB 4.02Å; G404-A406 PolarHBondContact O-N 3.09Å
407	F	83.6	Confident	78.8	Confident	50 Å²	50	60.8 Å²	60.8	22%	0.219	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	153.3	-177	-60	-94.3	0	0	0	111.5	K396 Y398 C400 K405 V409 H412 L413 H416	K396-F407 CarbonylContact C-O 3.49Å; K396-F407 VanDerWaalsContact C-O 3.24Å; K396-F407 VanDerWaalsContact CA-O 3.25Å; K396-F407 WeakPolarHBondContact CA-O 3.5Å; Y398-F407 PolarHBondContact N-O 3.39Å; Y398-F407 PolarHBondContact O-N 3.33Å; C400-F407 HydrophobicContact CB-CE2 4.42Å; K405-F407 HydrophobicContact CB-CE2 3.83Å; K405-F407 HydrophobicContact CB-CZ 4.13Å; K405-F407 WeakPolarHBondContact O-CD2 3.46Å; K405-F407 VanDerWaalsContact O-CE2 3.27Å; K405-F407 WeakPolarHBondContact O-CE2 3.48Å; F407-V409 VanDerWaalsContact C-N 3.32Å; F407-H412 HydrophobicContact CB-CB 4.32Å; F407-H412 HydrophobicContact CD1-CB 3.88Å; F407-H412 HydrophobicContact CG-CB 4.36Å; F407-L413 HydrophobicContact CD2-CB 4.2Å; F407-L413 HydrophobicContact CD2-CD1 3.9Å; F407-L413 HydrophobicContact CE2-CD1 4.1Å; F407-H416 HydrophobicContact CE1-CB 4.38Å; F407-H416 HydrophobicContact CE2-CB 4.01Å; F407-H416 AromaticContact CE2-CD2 3.51Å; F407-H416 HydrophobicContact CZ-CB 3.69Å; F407-H416 AromaticContact CZ-CD2 3.38Å; F407-H416 WeakPolarHBondContact CZ-CD2 3.46Å; F407-H416 AromaticContact CZ-CG 3.63Å
408	R	80.2	Confident	78.4	Confident	74 Å²	74	59.9 Å²	59.9	28%	0.279	33%	0.326	S	S	.	.	S	Bend	trans	-81.8	-10.4	179.2	-53.9	-166.1	152.8	150.6	-21.4	113.8	R390 V391 G394 E395 K396	R390-R408 PolarHBondContact NH1-O 2.95Å; R390-R408 WeakPolarHBondContact O-CD 3.3Å; R390-R408 PolarHBondContact O-NE 3.1Å; R390-R408 PolarHBondContact O-NH2 3.17Å; V391-R408 VanDerWaalsContact CA-CZ 3.48Å; V391-R408 PolarHBondContact O-NH2 2.91Å; G394-R408 PolarHBondContact O-NH2 3.35Å; E395-R408 WeakPolarHBondContact O-CG 3.21Å; E395-R408 PolarHBondContact O-NE 2.88Å; K396-R408 HydrophobicContact CG-CG 3.91Å
409	V	81.6	Confident	77.8	Confident	18 Å²	18	60.6 Å²	60.6	11%	0.109	34%	0.338	C	S	.	.	S	Bend	trans	-146	135.6	-169.8	-164.5	0	0	0	0	109.6	Q387 F407 S411 H412 L413	Q387-V409 HydrophobicContact CG-CG2 3.95Å; F407-V409 VanDerWaalsContact C-N 3.32Å; V409-S411 WeakPolarHBondContact CG1-OG 3.3Å; V409-H412 HydrophobicContact CB-CB 4.45Å; V409-H412 PolarHBondContact O-N 3.07Å; V409-L413 PolarHBondContact O-N 3.1Å
410	S	76.9	Confident	77.3	Confident	44 Å²	44	59 Å²	59	31%	0.308	33%	0.332	S	S	.	.	H	α-helix	trans	-58.2	-45.7	177.3	49.7	0	0	0	0	113	H412 L413 V414	S410-H412 PolarHBondContact O-N 2.77Å; S410-H412 VanDerWaalsContact O-N 3.11Å; S410-L413 WeakPolarHBondContact O-CA 3.31Å; S410-L413 VanDerWaalsContact O-CB 3.32Å; S410-L413 WeakPolarHBondContact O-CB 3.44Å; S410-L413 PolarHBondContact O-N 2.95Å; S410-V414 PolarHBondContact O-N 3.44Å
411	S	76.7	Confident	76.4	Confident	69 Å²	69	62 Å²	62	48%	0.483	35%	0.353	S	S	.	.	H	α-helix	trans	-61.3	-23.3	179.2	61	0	0	0	0	114.1	V409 Q415	V409-S411 WeakPolarHBondContact CG1-OG 3.3Å; S411-Q415 WeakPolarHBondContact O-CB 3.36Å; S411-Q415 PolarHBondContact O-N 2.99Å; S411-Q415 VanDerWaalsContact O-N 3.13Å
412	H	80.6	Confident	75.7	Confident	96 Å²	96	59.4 Å²	59.4	44%	0.444	36%	0.355	S	S	.	.	H	α-helix	trans	-80.9	-25.7	171.5	-65.1	155.9	0	0	0	113.1	F407 V409 S410 H416	F407-H412 HydrophobicContact CB-CB 4.32Å; F407-H412 HydrophobicContact CD1-CB 3.88Å; F407-H412 HydrophobicContact CG-CB 4.36Å; V409-H412 HydrophobicContact CB-CB 4.45Å; V409-H412 PolarHBondContact O-N 3.07Å; S410-H412 PolarHBondContact O-N 2.77Å; S410-H412 VanDerWaalsContact O-N 3.11Å; H412-H416 PolarHBondContact O-N 2.9Å; H412-H416 VanDerWaalsContact O-N 3.17Å
413	L	79.3	Confident	75	Confident	19 Å²	19	60 Å²	60	10%	0.099	35%	0.351	C	S	.	.	H	α-helix	trans	-73.4	-48.8	171.3	176.3	62.6	0	0	0	110.9	C400 F407 V409 S410 Q415 H416 H417	C400-L413 HydrophobicContact CB-CD1 3.42Å; C400-L413 VanDerWaalsContact CB-CD1 3.42Å; F407-L413 HydrophobicContact CD2-CB 4.2Å; F407-L413 HydrophobicContact CD2-CD1 3.9Å; F407-L413 HydrophobicContact CE2-CD1 4.1Å; V409-L413 PolarHBondContact O-N 3.1Å; S410-L413 WeakPolarHBondContact O-CA 3.31Å; S410-L413 VanDerWaalsContact O-CB 3.32Å; S410-L413 WeakPolarHBondContact O-CB 3.44Å; S410-L413 PolarHBondContact O-N 2.95Å; L413-Q415 VanDerWaalsContact C-N 3.31Å; L413-Q415 PolarHBondContact O-N 3.09Å; L413-H416 CarbonylContact O-C 3.55Å; L413-H416 VanDerWaalsContact O-CA 3.26Å; L413-H416 WeakPolarHBondContact O-CA 3.49Å; L413-H416 VanDerWaalsContact O-CB 3.26Å; L413-H416 WeakPolarHBondContact O-CB 3.32Å; L413-H416 PolarHBondContact O-N 2.87Å; L413-H417 VanDerWaalsContact CD1-NE2 3.29Å; L413-H417 WeakPolarHBondContact CD1-NE2 3.13Å; L413-H417 PolarHBondContact O-CD2 3.39Å; L413-H417 PolarHBondContact O-N 2.8Å
414	V	75.3	Confident	74.7	Confident	75 Å²	75	64.8 Å²	64.8	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-59.7	-42.4	175.2	-179.2	0	0	0	0	110.6	S410 H416 H417	S410-V414 PolarHBondContact O-N 3.44Å; V414-H416 PolarHBondContact O-N 3.34Å; V414-H417 PolarHBondContact O-N 3.12Å; V414-H417 VanDerWaalsContact O-N 3.1Å
415	Q	74.6	Confident	74.2	Confident	78 Å²	78	66.3 Å²	66.3	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-68.1	-10.8	171.4	-168.8	-178.2	96.4	0	0	114	S411 L413 S418 R437	S411-Q415 WeakPolarHBondContact O-CB 3.36Å; S411-Q415 PolarHBondContact O-N 2.99Å; S411-Q415 VanDerWaalsContact O-N 3.13Å; L413-Q415 VanDerWaalsContact C-N 3.31Å; L413-Q415 PolarHBondContact O-N 3.09Å; Q415-S418 PolarHBondContact O-OG 2.87Å; Q415-R437 HydrophobicContact CG-CG 4.29Å; Q415-R437 VanDerWaalsContact OE1-NH1 3.16Å; Q415-R437 VanDerWaalsContact OE1-NH2 3.15Å
416	H	78.1	Confident	74	Confident	16 Å²	16	66.2 Å²	66.2	7%	0.074	36%	0.359	C	S	.	.	H	α-helix	trans	-89.3	-30.8	168.1	-170.4	19.5	0	0	0	112.3	C403 K405 F407 H412 L413 V414 S418 V419 H420	C403-H416 PolarHBondContact SG-NE2 3.16Å; K405-H416 PolarHBondContact NZ-NE2 3.38Å; K405-H416 VanDerWaalsContact NZ-NE2 3.13Å; F407-H416 HydrophobicContact CE1-CB 4.38Å; F407-H416 HydrophobicContact CE2-CB 4.01Å; F407-H416 AromaticContact CE2-CD2 3.51Å; F407-H416 HydrophobicContact CZ-CB 3.69Å; F407-H416 AromaticContact CZ-CD2 3.38Å; F407-H416 WeakPolarHBondContact CZ-CD2 3.46Å; F407-H416 AromaticContact CZ-CG 3.63Å; H412-H416 PolarHBondContact O-N 2.9Å; H412-H416 VanDerWaalsContact O-N 3.17Å; L413-H416 CarbonylContact O-C 3.55Å; L413-H416 VanDerWaalsContact O-CA 3.26Å; L413-H416 WeakPolarHBondContact O-CA 3.49Å; L413-H416 VanDerWaalsContact O-CB 3.26Å; L413-H416 WeakPolarHBondContact O-CB 3.32Å; L413-H416 PolarHBondContact O-N 2.87Å; V414-H416 PolarHBondContact O-N 3.34Å; H416-S418 PolarHBondContact O-N 3.11Å; H416-V419 WeakPolarHBondContact ND1-CG2 3.44Å; H416-V419 WeakPolarHBondContact O-CB 3.25Å; H416-V419 WeakPolarHBondContact O-CG2 3.47Å; H416-V419 PolarHBondContact O-N 3.44Å; H416-H420 AromaticContact CD2-NE2 3.36Å; H416-H420 PolarHBondContact CD2-NE2 2.9Å; H416-H420 AromaticContact CE1-NE2 3.43Å; H416-H420 PolarHBondContact CE1-NE2 3.45Å; H416-H420 AromaticContact NE2-NE2 2.92Å; H416-H420 PolarHBondContact NE2-NE2 2.83Å
417	H	70.6	Confident	72.9	Confident	52 Å²	52	65.8 Å²	65.8	24%	0.241	36%	0.358	C	S	.	.	H	α-helix	trans	-59.9	-32.3	-179.2	-68.8	177.1	0	0	0	112.8	E230 C400 L413 V414 V419 H420 S421	E230-H417 IonicContact OE1-CE1 2.77Å; E230-H417 PolarHBondContact OE1-CE1 2.95Å; E230-H417 VanDerWaalsContact OE1-CE1 3.28Å; E230-H417 IonicContact OE1-CG 2.74Å; E230-H417 IonicContact OE1-ND1 3.46Å; E230-H417 PolarHBondContact OE1-ND1 3.3Å; C400-H417 VanDerWaalsContact SG-CD2 3.54Å; L413-H417 VanDerWaalsContact CD1-NE2 3.29Å; L413-H417 WeakPolarHBondContact CD1-NE2 3.13Å; L413-H417 PolarHBondContact O-CD2 3.39Å; L413-H417 PolarHBondContact O-N 2.8Å; V414-H417 PolarHBondContact O-N 3.12Å; V414-H417 VanDerWaalsContact O-N 3.1Å; H417-V419 PolarHBondContact O-N 2.79Å; H417-H420 PolarHBondContact O-N 3.04Å; H417-S421 PolarHBondContact O-N 2.86Å; H417-S421 PolarHBondContact O-OG 2.89Å
418	S	71.8	Confident	72.5	Confident	26 Å²	26	63.5 Å²	63.5	18%	0.182	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-4.9	170.2	66.2	0	0	0	0	115.9	Q415 H416 S421	Q415-S418 PolarHBondContact O-OG 2.87Å; H416-S418 PolarHBondContact O-N 3.11Å; S418-S421 WeakPolarHBondContact CA-OG 3.24Å
419	V	72.4	Confident	72	Confident	92 Å²	92	67.8 Å²	67.8	56%	0.558	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-18.9	169.1	-173.6	0	0	0	0	111.5	H416 H417	H416-V419 WeakPolarHBondContact ND1-CG2 3.44Å; H416-V419 WeakPolarHBondContact O-CB 3.25Å; H416-V419 WeakPolarHBondContact O-CG2 3.47Å; H416-V419 PolarHBondContact O-N 3.44Å; H417-V419 PolarHBondContact O-N 2.79Å
420	H	71.1	Confident	71	Confident	75 Å²	75	70.3 Å²	70.3	35%	0.347	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-44.2	-179.3	-60.4	-57.4	0	0	0	112.4	C400 V402 C403 H416 H417 G422	C400-H420 VanDerWaalsContact SG-CD2 3.53Å; C400-H420 PolarHBondContact SG-NE2 2.99Å; V402-H420 HydrophobicContact CB-CB 4.5Å; V402-H420 HydrophobicContact CG1-CB 4.09Å; C403-H420 WeakPolarHBondContact CB-CE1 3.45Å; C403-H420 PolarHBondContact SG-CE1 3.47Å; C403-H420 PolarHBondContact SG-NE2 3.42Å; H416-H420 AromaticContact CD2-NE2 3.36Å; H416-H420 PolarHBondContact CD2-NE2 2.9Å; H416-H420 AromaticContact CE1-NE2 3.43Å; H416-H420 PolarHBondContact CE1-NE2 3.45Å; H416-H420 AromaticContact NE2-NE2 2.92Å; H416-H420 PolarHBondContact NE2-NE2 2.83Å; H417-H420 PolarHBondContact O-N 3.04Å; H420-G422 PolarHBondContact O-N 3.22Å
421	S	64.1	Low	70.6	Confident	65 Å²	65	70.5 Å²	70.5	46%	0.455	39%	0.388	S	S	.	.	S	Bend	trans	-66	-16	171.1	63.4	0	0	0	0	112.6	H417 S418 E423	H417-S421 PolarHBondContact O-N 2.86Å; H417-S421 PolarHBondContact O-OG 2.89Å; S418-S421 WeakPolarHBondContact CA-OG 3.24Å; S421-E423 WeakPolarHBondContact CB-OE2 3.42Å; S421-E423 PolarHBondContact O-N 3.25Å; S421-E423 VanDerWaalsContact O-N 3.15Å; S421-E423 WeakPolarHBondContact OG-CB 3.48Å; S421-E423 VanDerWaalsContact OG-CD 3.24Å; S421-E423 VanDerWaalsContact OG-CG 3.29Å; S421-E423 WeakPolarHBondContact OG-CG 3.07Å; S421-E423 PolarHBondContact OG-N 3.07Å; S421-E423 PolarHBondContact OG-OE2 3.36Å
422	G	62.3	Low	70	Confident	51 Å²	51	70.3 Å²	70.3	53%	0.526	40%	0.396	S	S	.	.			trans	70.1	2.5	-176.3	0	0	0	0	0	113.7	H420 R424	H420-G422 PolarHBondContact O-N 3.22Å; G422-R424 WeakPolarHBondContact O-CG 3.48Å
423	E	61.2	Low	69.3	Low	118 Å²	118	71.4 Å²	71.4	55%	0.551	40%	0.4	S	S	*	.			trans	-63.8	140.8	-173.5	-71.5	167.2	140.7	0	0	113	S421	S421-E423 WeakPolarHBondContact CB-OE2 3.42Å; S421-E423 PolarHBondContact O-N 3.25Å; S421-E423 VanDerWaalsContact O-N 3.15Å; S421-E423 WeakPolarHBondContact OG-CB 3.48Å; S421-E423 VanDerWaalsContact OG-CD 3.24Å; S421-E423 VanDerWaalsContact OG-CG 3.29Å; S421-E423 WeakPolarHBondContact OG-CG 3.07Å; S421-E423 PolarHBondContact OG-N 3.07Å; S421-E423 PolarHBondContact OG-OE2 3.36Å
424	R	67.6	Low	68.8	Low	145 Å²	145	72.6 Å²	72.6	55%	0.547	41%	0.41	S	S	.	.			trans	-135.7	68.4	-178.3	-62	173.3	80.3	106.4	1.3	109.5	G422 Y426 S434 F435	G422-R424 WeakPolarHBondContact O-CG 3.48Å; R424-Y426 PolarHBondContact O-N 2.81Å; R424-S434 VanDerWaalsContact CZ-O 3.23Å; R424-S434 PolarHBondContact NE-O 2.84Å; R424-S434 PolarHBondContact NH2-O 3.47Å; R424-S434 WeakPolarHBondContact O-CB 3.46Å; R424-F435 CarbonylContact C-O 3.56Å; R424-F435 VanDerWaalsContact C-O 3.25Å; R424-F435 WeakPolarHBondContact CA-O 3.34Å
425	P	67.4	Low	68.8	Low	93 Å²	93	70.6 Å²	70.6	60%	0.604	40%	0.395	S	S	*	.			trans	-61.4	-23.4	-171.7	-23.4	35.2	0	0	0	113.9	G427	P425-G427 PolarHBondContact O-N 2.79Å
426	Y	74.4	Confident	68.6	Low	98 Å²	98	68 Å²	68	38%	0.384	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-92.4	80.1	-173.4	-54.4	-72.5	0	0	0	110.8	R424 S434 F435 H438	R424-Y426 PolarHBondContact O-N 2.81Å; Y426-S434 CarbonylContact O-C 3.19Å; Y426-S434 WeakPolarHBondContact O-CA 3.48Å; Y426-F435 WeakPolarHBondContact CB-O 3.35Å; Y426-F435 WeakPolarHBondContact CD2-O 3.48Å; Y426-F435 PolarHBondContact N-O 2.94Å; Y426-F435 VanDerWaalsContact N-O 3.08Å; Y426-F435 PolarHBondContact O-N 2.8Å; Y426-H438 HydrophobicContact CD1-CB 3.78Å; Y426-H438 AromaticContact CD1-CD2 3.94Å; Y426-H438 HydrophobicContact CD2-CB 4.31Å; Y426-H438 HydrophobicContact CE1-CB 3.7Å; Y426-H438 HydrophobicContact CE2-CB 4.22Å; Y426-H438 HydrophobicContact CG-CB 4.09Å
427	G	60.4	Low	68.4	Low	27 Å²	27	71.3 Å²	71.3	28%	0.278	40%	0.401	S	S	.	.			trans	-64.6	149	176.2	0	0	0	0	0	114.5	P425 L441	P425-G427 PolarHBondContact O-N 2.79Å; G427-L441 WeakPolarHBondContact O-CD1 3.49Å; G427-L441 WeakPolarHBondContact O-CD2 3.48Å
428	C	77	Confident	68.3	Low	3 Å²	3	73.8 Å²	73.8	2%	0.02	41%	0.413	C	S	.	.			trans	-110.6	103	171.8	176.1	0	0	0	0	111.3	E430 C431 G432 K433 L441 H444 L445 H448	C428-E430 PolarHBondContact O-N 3.49Å; C428-E430 VanDerWaalsContact O-N 3.09Å; C428-C431 PolarHBondContact O-N 3.48Å; C428-C431 VanDerWaalsContact O-N 3.09Å; C428-G432 WeakPolarHBondContact O-CA 3.42Å; C428-G432 PolarHBondContact O-N 3.41Å; C428-K433 WeakPolarHBondContact CB-O 3.33Å; C428-K433 PolarHBondContact N-O 3.38Å; C428-L441 HydrophobicContact CB-CD1 3.63Å; C428-H444 PolarHBondContact SG-CD2 3.2Å; C428-H444 PolarHBondContact SG-NE2 3.17Å; C428-H444 VanDerWaalsContact SG-NE2 3.4Å; C428-L445 VanDerWaalsContact SG-CD2 3.52Å; C428-H448 PolarHBondContact SG-NE2 3.13Å
429	N	69.5	Low	68.4	Low	164 Å²	164	76 Å²	76	88%	0.877	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.2	-176	-55.6	17.3	0	0	0	113.4
430	E	60.1	Low	68.7	Low	71 Å²	71	75.6 Å²	75.6	33%	0.332	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-12.4	178.4	-68.5	-172	106.8	0	0	115	C428 H448 K452	C428-E430 PolarHBondContact O-N 3.49Å; C428-E430 VanDerWaalsContact O-N 3.09Å; E430-H448 VanDerWaalsContact OE2-CB 3.22Å; E430-H448 WeakPolarHBondContact OE2-CB 3.32Å; E430-H448 IonicContact OE2-CD2 2.8Å; E430-H448 PolarHBondContact OE2-CD2 2.87Å; E430-H448 VanDerWaalsContact OE2-CD2 3.29Å; E430-H448 IonicContact OE2-CG 3.79Å; E430-K452 IonicContact OE1-NZ 3.62Å; E430-K452 PolarHBondContact OE1-NZ 3.11Å
431	C	69.1	Low	68.8	Low	48 Å²	48	72.8 Å²	72.8	32%	0.324	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.5	19.3	176.9	80.6	0	0	0	0	116.3	C428 K433 H444 H448	C428-C431 PolarHBondContact O-N 3.48Å; C428-C431 VanDerWaalsContact O-N 3.09Å; C431-K433 PolarHBondContact O-N 3.23Å; C431-H444 PolarHBondContact SG-NE2 3.14Å; C431-H448 PolarHBondContact SG-CE1 2.99Å; C431-H448 PolarHBondContact SG-NE2 2.86Å; C431-H448 VanDerWaalsContact SG-NE2 3.42Å
432	G	63.5	Low	69.4	Low	64 Å²	64	72.7 Å²	72.7	66%	0.66	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	6.2	178.5	0	0	0	0	0	116.3	C428 S434	C428-G432 WeakPolarHBondContact O-CA 3.42Å; C428-G432 PolarHBondContact O-N 3.41Å; G432-S434 PolarHBondContact O-N 3.11Å
433	K	66.2	Low	70	Confident	120 Å²	120	77 Å²	77	52%	0.522	41%	0.408	S	S	.	.			trans	-88.2	105.6	-175.3	-75.3	173.2	-175.4	151.2	0	111.1	C428 C431 F435	C428-K433 WeakPolarHBondContact CB-O 3.33Å; C428-K433 PolarHBondContact N-O 3.38Å; C431-K433 PolarHBondContact O-N 3.23Å; K433-F435 HydrophobicContact CB-CE2 4.23Å; K433-F435 HydrophobicContact CB-CZ 4.34Å; K433-F435 WeakPolarHBondContact O-CD2 3.28Å; K433-F435 WeakPolarHBondContact O-CE2 3.36Å
434	S	69.1	Low	70.6	Confident	43 Å²	43	72.3 Å²	72.3	30%	0.301	39%	0.386	S	S	.	.			trans	-84.4	160.3	178	-38.5	0	0	0	0	112.7	R424 Y426 G432	R424-S434 VanDerWaalsContact CZ-O 3.23Å; R424-S434 PolarHBondContact NE-O 2.84Å; R424-S434 PolarHBondContact NH2-O 3.47Å; R424-S434 WeakPolarHBondContact O-CB 3.46Å; Y426-S434 CarbonylContact O-C 3.19Å; Y426-S434 WeakPolarHBondContact O-CA 3.48Å; G432-S434 PolarHBondContact O-N 3.11Å
435	F	75.2	Confident	70.6	Confident	34 Å²	34	67.4 Å²	67.4	15%	0.149	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-136.3	144.2	-179.9	-63.5	-87.2	0	0	0	112	R424 Y426 K433 R437 H440 L441 H444	R424-F435 CarbonylContact C-O 3.56Å; R424-F435 VanDerWaalsContact C-O 3.25Å; R424-F435 WeakPolarHBondContact CA-O 3.34Å; Y426-F435 WeakPolarHBondContact CB-O 3.35Å; Y426-F435 WeakPolarHBondContact CD2-O 3.48Å; Y426-F435 PolarHBondContact N-O 2.94Å; Y426-F435 VanDerWaalsContact N-O 3.08Å; Y426-F435 PolarHBondContact O-N 2.8Å; K433-F435 HydrophobicContact CB-CE2 4.23Å; K433-F435 HydrophobicContact CB-CZ 4.34Å; K433-F435 WeakPolarHBondContact O-CD2 3.28Å; K433-F435 WeakPolarHBondContact O-CE2 3.36Å; F435-R437 PolarHBondContact O-N 2.92Å; F435-H440 HydrophobicContact CB-CB 4.25Å; F435-H440 HydrophobicContact CD1-CB 3.85Å; F435-H440 HydrophobicContact CG-CB 4.2Å; F435-L441 HydrophobicContact CB-CB 4.37Å; F435-L441 HydrophobicContact CD2-CB 3.92Å; F435-L441 HydrophobicContact CD2-CD1 3.99Å; F435-L441 HydrophobicContact CE2-CD1 4.31Å; F435-L441 HydrophobicContact CG-CB 4.4Å; F435-H444 HydrophobicContact CD2-CB 4.42Å; F435-H444 HydrophobicContact CE1-CB 4.3Å; F435-H444 HydrophobicContact CE2-CB 3.54Å; F435-H444 AromaticContact CE2-CD2 3.66Å; F435-H444 AromaticContact CE2-CG 3.4Å; F435-H444 VanDerWaalsContact CE2-CG 3.4Å; F435-H444 AromaticContact CE2-ND1 3.84Å; F435-H444 HydrophobicContact CZ-CB 3.5Å; F435-H444 AromaticContact CZ-CE1 4Å; F435-H444 AromaticContact CZ-CG 3.36Å; F435-H444 AromaticContact CZ-ND1 3.38Å; F435-H444 WeakPolarHBondContact CZ-ND1 3.35Å
436	G	68.8	Low	70.7	Confident	24 Å²	24	67 Å²	67	25%	0.247	36%	0.359	C	S	.	.	S	Bend	trans	-77.5	6.4	172.2	0	0	0	0	0	114.7
437	R	73.8	Confident	70.3	Confident	84 Å²	84	66.8 Å²	66.8	32%	0.317	36%	0.357	S	S	.	.	S	Bend	trans	-148.4	130.6	176.7	-61.3	-174.3	-173.6	-171.8	-9.6	111.3	Q415 F435 S439 H440 L441	Q415-R437 HydrophobicContact CG-CG 4.29Å; Q415-R437 VanDerWaalsContact OE1-NH1 3.16Å; Q415-R437 VanDerWaalsContact OE1-NH2 3.15Å; F435-R437 PolarHBondContact O-N 2.92Å; R437-S439 VanDerWaalsContact C-N 3.29Å; R437-S439 PolarHBondContact O-N 3.03Å; R437-H440 HydrophobicContact CB-CB 4.45Å; R437-H440 PolarHBondContact O-N 3.08Å; R437-L441 PolarHBondContact O-N 3.2Å
438	H	69.3	Low	70.5	Confident	104 Å²	104	66.5 Å²	66.5	48%	0.481	35%	0.349	S	S	.	.	H	α-helix	trans	-56.4	-40.2	178.1	-176.9	-130.8	0	0	0	112.9	Y426 H440 L441 I442	Y426-H438 HydrophobicContact CD1-CB 3.78Å; Y426-H438 AromaticContact CD1-CD2 3.94Å; Y426-H438 HydrophobicContact CD2-CB 4.31Å; Y426-H438 HydrophobicContact CE1-CB 3.7Å; Y426-H438 HydrophobicContact CE2-CB 4.22Å; Y426-H438 HydrophobicContact CG-CB 4.09Å; H438-H440 VanDerWaalsContact C-N 3.26Å; H438-H440 PolarHBondContact O-N 3.16Å; H438-L441 PolarHBondContact O-N 2.84Å; H438-I442 WeakPolarHBondContact NE2-CG1 3.47Å; H438-I442 WeakPolarHBondContact O-CB 3.36Å; H438-I442 WeakPolarHBondContact O-CG1 3.48Å; H438-I442 PolarHBondContact O-N 2.85Å
439	S	74.1	Confident	69.3	Low	73 Å²	73	72.9 Å²	72.9	51%	0.51	38%	0.376	S	S	.	.	H	α-helix	trans	-58.8	-35.6	177.2	53.2	0	0	0	0	113.3	R437 E443	R437-S439 VanDerWaalsContact C-N 3.29Å; R437-S439 PolarHBondContact O-N 3.03Å; S439-E443 PolarHBondContact O-N 3.18Å
440	H	78	Confident	68.5	Low	84 Å²	84	73.4 Å²	73.4	39%	0.389	37%	0.366	S	S	.	.	H	α-helix	trans	-76.1	-35.2	178.3	-61.5	177.9	0	0	0	111.8	F435 R437 H438 E443 H444	F435-H440 HydrophobicContact CB-CB 4.25Å; F435-H440 HydrophobicContact CD1-CB 3.85Å; F435-H440 HydrophobicContact CG-CB 4.2Å; R437-H440 HydrophobicContact CB-CB 4.45Å; R437-H440 PolarHBondContact O-N 3.08Å; H438-H440 VanDerWaalsContact C-N 3.26Å; H438-H440 PolarHBondContact O-N 3.16Å; H440-E443 PolarHBondContact O-N 3.12Å; H440-H444 VanDerWaalsContact O-CB 3.25Å; H440-H444 WeakPolarHBondContact O-CB 3.48Å; H440-H444 PolarHBondContact O-N 2.8Å
441	L	74.3	Confident	67.8	Low	16 Å²	16	74.6 Å²	74.6	8%	0.084	37%	0.372	C	S	.	.	H	α-helix	trans	-61.1	-47	169	172.1	63.8	0	0	0	110.8	G427 C428 F435 R437 H438 E443 H444 L445	G427-L441 WeakPolarHBondContact O-CD1 3.49Å; G427-L441 WeakPolarHBondContact O-CD2 3.48Å; C428-L441 HydrophobicContact CB-CD1 3.63Å; F435-L441 HydrophobicContact CB-CB 4.37Å; F435-L441 HydrophobicContact CD2-CB 3.92Å; F435-L441 HydrophobicContact CD2-CD1 3.99Å; F435-L441 HydrophobicContact CE2-CD1 4.31Å; F435-L441 HydrophobicContact CG-CB 4.4Å; R437-L441 PolarHBondContact O-N 3.2Å; H438-L441 PolarHBondContact O-N 2.84Å; L441-E443 VanDerWaalsContact C-N 3.27Å; L441-E443 PolarHBondContact O-N 3.46Å; L441-H444 WeakPolarHBondContact O-CB 3.31Å; L441-H444 PolarHBondContact O-N 2.89Å; L441-L445 HydrophobicContact CD1-CD1 3.87Å; L441-L445 HydrophobicContact CD1-CD2 4.45Å; L441-L445 HydrophobicContact CD1-CG 3.86Å; L441-L445 HydrophobicContact CD2-CD1 4.38Å; L441-L445 HydrophobicContact CG-CD1 3.81Å; L441-L445 HydrophobicContact CG-CG 4.28Å; L441-L445 WeakPolarHBondContact O-CG 3.36Å; L441-L445 PolarHBondContact O-N 3.47Å
442	I	75.8	Confident	66.4	Low	62 Å²	62	78.3 Å²	78.3	32%	0.318	38%	0.382	S	S	.	.	H	α-helix	trans	-65.8	-26.6	179.4	-70.1	-65.4	0	0	0	112.4	H438 L445 K446	H438-I442 WeakPolarHBondContact NE2-CG1 3.47Å; H438-I442 WeakPolarHBondContact O-CB 3.36Å; H438-I442 WeakPolarHBondContact O-CG1 3.48Å; H438-I442 PolarHBondContact O-N 2.85Å; I442-L445 HydrophobicContact CD1-CD1 4.48Å; I442-K446 WeakPolarHBondContact O-CD 3.26Å; I442-K446 WeakPolarHBondContact O-CE 3.17Å; I442-K446 VanDerWaalsContact O-CG 3.28Å; I442-K446 WeakPolarHBondContact O-CG 3.15Å; I442-K446 PolarHBondContact O-NZ 3.43Å
443	E	74.7	Confident	65.3	Low	142 Å²	142	79 Å²	79	66%	0.664	38%	0.377	S	S	*	.	H	α-helix	trans	-74.7	-43.6	166.8	-174.6	177.7	178.6	0	0	111.8	S439 H440 L441 K446	S439-E443 PolarHBondContact O-N 3.18Å; H440-E443 PolarHBondContact O-N 3.12Å; L441-E443 VanDerWaalsContact C-N 3.27Å; L441-E443 PolarHBondContact O-N 3.46Å; E443-K446 WeakPolarHBondContact O-CB 3.44Å; E443-K446 PolarHBondContact O-N 2.8Å
444	H	73.5	Confident	64.1	Low	20 Å²	20	79.3 Å²	79.3	9%	0.093	38%	0.38	C	S	.	.	H	α-helix	trans	-63.2	-47.1	-177.9	173.5	87.6	0	0	0	113.3	C428 C431 F435 H440 L441 K446 R447 H448	C428-H444 PolarHBondContact SG-CD2 3.2Å; C428-H444 PolarHBondContact SG-NE2 3.17Å; C428-H444 VanDerWaalsContact SG-NE2 3.4Å; C431-H444 PolarHBondContact SG-NE2 3.14Å; F435-H444 HydrophobicContact CD2-CB 4.42Å; F435-H444 HydrophobicContact CE1-CB 4.3Å; F435-H444 HydrophobicContact CE2-CB 3.54Å; F435-H444 AromaticContact CE2-CD2 3.66Å; F435-H444 AromaticContact CE2-CG 3.4Å; F435-H444 VanDerWaalsContact CE2-CG 3.4Å; F435-H444 AromaticContact CE2-ND1 3.84Å; F435-H444 HydrophobicContact CZ-CB 3.5Å; F435-H444 AromaticContact CZ-CE1 4Å; F435-H444 AromaticContact CZ-CG 3.36Å; F435-H444 AromaticContact CZ-ND1 3.38Å; F435-H444 WeakPolarHBondContact CZ-ND1 3.35Å; H440-H444 VanDerWaalsContact O-CB 3.25Å; H440-H444 WeakPolarHBondContact O-CB 3.48Å; H440-H444 PolarHBondContact O-N 2.8Å; L441-H444 WeakPolarHBondContact O-CB 3.31Å; L441-H444 PolarHBondContact O-N 2.89Å; H444-K446 PolarHBondContact O-N 3.36Å; H444-R447 PolarHBondContact CE1-NH2 2.88Å; H444-R447 VanDerWaalsContact O-CB 3.27Å; H444-R447 WeakPolarHBondContact O-CB 3.19Å; H444-R447 PolarHBondContact O-N 2.77Å; H444-H448 AromaticContact CD2-NE2 3.64Å; H444-H448 AromaticContact CE1-NE2 3.94Å; H444-H448 AromaticContact NE2-CE1 3.66Å; H444-H448 AromaticContact NE2-NE2 3.07Å; H444-H448 PolarHBondContact NE2-NE2 2.94Å
445	L	68.4	Low	62.1	Low	42 Å²	42	80.8 Å²	80.8	22%	0.22	39%	0.39	C	S	.	.	H	α-helix	trans	-55.6	-39	177.6	-73.8	164.5	0	0	0	111.2	C428 L441 I442 R447 H448 F449	C428-L445 VanDerWaalsContact SG-CD2 3.52Å; L441-L445 HydrophobicContact CD1-CD1 3.87Å; L441-L445 HydrophobicContact CD1-CD2 4.45Å; L441-L445 HydrophobicContact CD1-CG 3.86Å; L441-L445 HydrophobicContact CD2-CD1 4.38Å; L441-L445 HydrophobicContact CG-CD1 3.81Å; L441-L445 HydrophobicContact CG-CG 4.28Å; L441-L445 WeakPolarHBondContact O-CG 3.36Å; L441-L445 PolarHBondContact O-N 3.47Å; I442-L445 HydrophobicContact CD1-CD1 4.48Å; L445-R447 PolarHBondContact O-N 2.85Å; L445-H448 PolarHBondContact O-N 2.9Å; L445-F449 VanDerWaalsContact O-CD2 3.27Å; L445-F449 WeakPolarHBondContact O-CD2 3.39Å
446	K	68.5	Low	60	Low	83 Å²	83	84 Å²	84	36%	0.361	42%	0.416	S	S	.	.	H	α-helix	trans	-63.9	-8.9	177.6	-66.6	167	-169.5	160.6	0	114	I442 E443 H444	I442-K446 WeakPolarHBondContact O-CD 3.26Å; I442-K446 WeakPolarHBondContact O-CE 3.17Å; I442-K446 VanDerWaalsContact O-CG 3.28Å; I442-K446 WeakPolarHBondContact O-CG 3.15Å; I442-K446 PolarHBondContact O-NZ 3.43Å; E443-K446 WeakPolarHBondContact O-CB 3.44Å; E443-K446 PolarHBondContact O-N 2.8Å; H444-K446 PolarHBondContact O-N 3.36Å
447	R	66.5	Low	58.3	Low	95 Å²	95	86 Å²	86	36%	0.358	43%	0.426	S	S	.	.	H	α-helix	trans	-85.3	-36.9	171.7	-171.6	174	54.9	73.1	22.5	112.5	H444 L445 F449 R450 E451	H444-R447 PolarHBondContact CE1-NH2 2.88Å; H444-R447 VanDerWaalsContact O-CB 3.27Å; H444-R447 WeakPolarHBondContact O-CB 3.19Å; H444-R447 PolarHBondContact O-N 2.77Å; L445-R447 PolarHBondContact O-N 2.85Å; R447-F449 VanDerWaalsContact C-N 3.32Å; R447-F449 PolarHBondContact O-N 3.3Å; R447-R450 WeakPolarHBondContact O-CA 3.49Å; R447-R450 WeakPolarHBondContact O-CB 3.38Å; R447-R450 PolarHBondContact O-N 2.59Å; R447-E451 WeakPolarHBondContact CD-OE1 3.26Å; R447-E451 HydrophobicContact CG-CG 4.41Å; R447-E451 VanDerWaalsContact CG-OE1 3.22Å; R447-E451 WeakPolarHBondContact CG-OE1 3.45Å; R447-E451 IonicContact CZ-OE1 3.53Å; R447-E451 IonicContact CZ-OE2 3.68Å; R447-E451 IonicContact NE-OE1 3.13Å; R447-E451 IonicContact NH1-OE1 4Å; R447-E451 PolarHBondContact NH1-OE1 3.16Å; R447-E451 IonicContact NH1-OE2 2.63Å; R447-E451 PolarHBondContact NH1-OE2 2.93Å; R447-E451 PolarHBondContact O-N 2.99Å
448	H	65.5	Low	56.3	Low	20 Å²	20	87.8 Å²	87.8	9%	0.093	44%	0.442	C	S	.	.	H	α-helix	trans	-62.4	-40.7	175.3	-60.8	-46.6	0	0	0	111.7	C428 E430 C431 H444 L445 R450 E451 K452	C428-H448 PolarHBondContact SG-NE2 3.13Å; E430-H448 VanDerWaalsContact OE2-CB 3.22Å; E430-H448 WeakPolarHBondContact OE2-CB 3.32Å; E430-H448 IonicContact OE2-CD2 2.8Å; E430-H448 PolarHBondContact OE2-CD2 2.87Å; E430-H448 VanDerWaalsContact OE2-CD2 3.29Å; E430-H448 IonicContact OE2-CG 3.79Å; C431-H448 PolarHBondContact SG-CE1 2.99Å; C431-H448 PolarHBondContact SG-NE2 2.86Å; C431-H448 VanDerWaalsContact SG-NE2 3.42Å; H444-H448 AromaticContact CD2-NE2 3.64Å; H444-H448 AromaticContact CE1-NE2 3.94Å; H444-H448 AromaticContact NE2-CE1 3.66Å; H444-H448 AromaticContact NE2-NE2 3.07Å; H444-H448 PolarHBondContact NE2-NE2 2.94Å; L445-H448 PolarHBondContact O-N 2.9Å; H448-R450 PolarHBondContact O-N 3.02Å; H448-E451 PolarHBondContact O-N 3.15Å; H448-K452 WeakPolarHBondContact O-CB 3.47Å; H448-K452 PolarHBondContact O-N 2.88Å
449	F	51.9	Low	54.8	Low	138 Å²	138	91.3 Å²	91.3	61%	0.605	46%	0.456	S	S	*	.	H	α-helix	trans	-61.7	-24.2	172.3	-69.1	-74.5	0	0	0	113.8	L445 R447	L445-F449 VanDerWaalsContact O-CD2 3.27Å; L445-F449 WeakPolarHBondContact O-CD2 3.39Å; R447-F449 VanDerWaalsContact C-N 3.32Å; R447-F449 PolarHBondContact O-N 3.3Å
450	R	52.5	Low	53	Low	175 Å²	175	99 Å²	99	66%	0.66	47%	0.474	S	S	*	.	H	α-helix	trans	-80.6	-47.8	170.5	-78.9	-176.3	169	173.7	-2.5	111.8	R447 H448 K452 S453 Q454	R447-R450 WeakPolarHBondContact O-CA 3.49Å; R447-R450 WeakPolarHBondContact O-CB 3.38Å; R447-R450 PolarHBondContact O-N 2.59Å; H448-R450 PolarHBondContact O-N 3.02Å; R450-K452 VanDerWaalsContact C-N 3.31Å; R450-K452 PolarHBondContact O-N 2.88Å; R450-S453 WeakPolarHBondContact O-CB 3.32Å; R450-S453 PolarHBondContact O-N 3.25Å; R450-S453 PolarHBondContact O-OG 2.75Å; R450-Q454 PolarHBondContact O-N 3.29Å
451	E	44.6	Very low	50.9	Low	96 Å²	96	100.2 Å²	100.2	45%	0.449	49%	0.492	S	S	.	.	H	α-helix	trans	-62.2	-38.6	-178	-71.6	166.9	-173.3	0	0	110.8	R447 H448 S453 Q454	R447-E451 WeakPolarHBondContact CD-OE1 3.26Å; R447-E451 HydrophobicContact CG-CG 4.41Å; R447-E451 VanDerWaalsContact CG-OE1 3.22Å; R447-E451 WeakPolarHBondContact CG-OE1 3.45Å; R447-E451 IonicContact CZ-OE1 3.53Å; R447-E451 IonicContact CZ-OE2 3.68Å; R447-E451 IonicContact NE-OE1 3.13Å; R447-E451 IonicContact NH1-OE1 4Å; R447-E451 PolarHBondContact NH1-OE1 3.16Å; R447-E451 IonicContact NH1-OE2 2.63Å; R447-E451 PolarHBondContact NH1-OE2 2.93Å; R447-E451 PolarHBondContact O-N 2.99Å; H448-E451 PolarHBondContact O-N 3.15Å; E451-S453 PolarHBondContact O-N 2.63Å; E451-Q454 PolarHBondContact O-N 2.69Å
452	K	40	Very low	49.1	Very low	126 Å²	126	108 Å²	108	55%	0.548	53%	0.525	S	S	.	.	H	α-helix	trans	-63.1	-37.2	169.1	-76.8	175.8	174.2	171.5	0	113.6	E430 H448 R450 Q454 S455	E430-K452 IonicContact OE1-NZ 3.62Å; E430-K452 PolarHBondContact OE1-NZ 3.11Å; H448-K452 WeakPolarHBondContact O-CB 3.47Å; H448-K452 PolarHBondContact O-N 2.88Å; R450-K452 VanDerWaalsContact C-N 3.31Å; R450-K452 PolarHBondContact O-N 2.88Å; K452-Q454 VanDerWaalsContact C-N 3.28Å; K452-Q454 PolarHBondContact O-N 2.94Å; K452-S455 WeakPolarHBondContact O-CB 3.25Å; K452-S455 PolarHBondContact O-N 2.92Å
453	S	41.2	Very low	46.7	Very low	77 Å²	77	113.1 Å²	113.1	54%	0.538	55%	0.553	S	S	.	*	H	α-helix	trans	-67.7	-24.2	-178.6	72.3	0	0	0	0	114.1	R450 E451	R450-S453 WeakPolarHBondContact O-CB 3.32Å; R450-S453 PolarHBondContact O-N 3.25Å; R450-S453 PolarHBondContact O-OG 2.75Å; E451-S453 PolarHBondContact O-N 2.63Å
454	Q	40	Very low	44.5	Very low	128 Å²	128	113 Å²	113	60%	0.598	56%	0.562	S	S	*	*	H	α-helix	trans	-84	-24.1	176.7	-62.7	-177.9	-98.6	0	0	112.3	R450 E451 K452 C456 S457	R450-Q454 PolarHBondContact O-N 3.29Å; E451-Q454 PolarHBondContact O-N 2.69Å; K452-Q454 VanDerWaalsContact C-N 3.28Å; K452-Q454 PolarHBondContact O-N 2.94Å; Q454-C456 PolarHBondContact O-N 3.2Å; Q454-S457 PolarHBondContact O-N 2.78Å; Q454-S457 PolarHBondContact O-OG 3.25Å
455	S	27.7	Very low	42.6	Very low	73 Å²	73	121.7 Å²	121.7	51%	0.51	60%	0.6	S	S	.	*	H	α-helix	trans	-63.7	-20.5	174.8	-167.7	0	0	0	0	113.5	K452	K452-S455 WeakPolarHBondContact O-CB 3.25Å; K452-S455 PolarHBondContact O-N 2.92Å
456	C	31.3	Very low	40.5	Very low	103 Å²	103	127.4 Å²	127.4	70%	0.696	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-13.7	-179.9	-67.6	0	0	0	0	114.9	Q454	Q454-C456 PolarHBondContact O-N 3.2Å
457	S	32.8	Very low	38.3	Very low	66 Å²	66	130.8 Å²	130.8	46%	0.462	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.8	-41.5	172.6	46.5	0	0	0	0	111.5	Q454 K459 R460	Q454-S457 PolarHBondContact O-N 2.78Å; Q454-S457 PolarHBondContact O-OG 3.25Å; S457-K459 PolarHBondContact O-N 3.21Å; S457-K459 VanDerWaalsContact O-N 3.15Å; S457-R460 PolarHBondContact O-N 2.93Å
458	D	32.1	Very low	36.7	Very low	121 Å²	121	133.5 Å²	133.5	65%	0.647	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-10.3	-164	-59.1	1.7	0	0	0	113.1
459	K	37.4	Very low	34.7	Very low	178 Å²	178	142.1 Å²	142.1	77%	0.774	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-6.6	176.6	-66.2	-168.9	177.6	-172.8	0	114.6	S457	S457-K459 PolarHBondContact O-N 3.21Å; S457-K459 VanDerWaalsContact O-N 3.15Å
460	R	35.9	Very low	33.3	Very low	234 Å²	234	144.7 Å²	144.7	88%	0.883	72%	0.72	S	S	*	*	S	Bend	trans	-98.1	0.3	-178.4	-152.2	175.6	-178.3	-178.5	0.8	114.8	S457	S457-R460 PolarHBondContact O-N 2.93Å
461	S	33.4	Very low	32.2	Very low	110 Å²	110	143.2 Å²	143.2	77%	0.769	72%	0.724	S	S	*	*	S	Bend	trans	-123.3	19.7	-173.9	-58.8	0	0	0	0	115
462	K	36.5	Very low	31.4	Very low	179 Å²	179	143.6 Å²	143.6	78%	0.778	73%	0.734	S	S	*	*			trans	-138.2	94.9	172.7	-68	-174.4	-178.7	179.2	0	111.3
463	N	26.4	Very low	30.6	Very low	169 Å²	169	144.6 Å²	144.6	90%	0.904	74%	0.741	S	S	*	*			trans	173	69.6	140.9	-88.5	-1.5	0	0	0	110.7	K465	N463-K465 PolarHBondContact O-N 3.28Å
464	T	27.9	Very low	29.6	Very low	139 Å²	139	148.4 Å²	148.4	85%	0.853	75%	0.748	S	S	*	*			trans	-79.5	111.8	162.1	43.5	0	0	0	0	109.7
465	K	33.3	Very low	28.9	Very low	204 Å²	204	146.9 Å²	146.9	89%	0.887	75%	0.752	S	S	*	*			trans	37.5	126.5	160.5	-66.9	-177.7	175.1	-178.7	0	118.9	N463	N463-K465 PolarHBondContact O-N 3.28Å
466	L	24.7	Very low	28.8	Very low	161 Å²	161	150.7 Å²	150.7	84%	0.843	76%	0.761	S	S	*	*				-157.5	116.5	122.3	-112.3	173.6	0	0	0	113.5
467	N	23.2	Very low	28.4	Very low	154 Å²	154	150.5 Å²	150.5	82%	0.824	77%	0.767	S	S	*	*			trans	45.8	146.7	157.6	-93	-18.6	0	0	0	125.3
468	I	31.3	Very low	28.1	Very low	152 Å²	152	153.9 Å²	153.9	78%	0.779	78%	0.78	S	S	*	*			trans	-87.6	152.6	179.3	-63.6	153.7	0	0	0	110.7
469	K	23.6	Very low	27.9	Very low	201 Å²	201	155.6 Å²	155.6	87%	0.874	79%	0.786	S	S	*	*			trans	-155.8	116.8	144.5	-116.5	170.1	-173.3	-180	0	114.3
470	K	22.9	Very low	27.5	Very low	192 Å²	192	154.4 Å²	154.4	84%	0.835	78%	0.783	S	S	*	*			trans	56.2	117.9	154.6	-67.6	-160.9	168.2	-157	0	121.4
471	I	30.5	Very low	26.8	Very low	145 Å²	145	150.2 Å²	150.2	74%	0.744	78%	0.777	S	S	*	*			trans	-78.8	151.9	142.6	-64.7	161.6	0	0	0	108.2
472	P	27.8	Very low	26.4	Very low	103 Å²	103	149.2 Å²	149.2	67%	0.669	77%	0.77	S	S	*	*				-118	137.6	117.8	-4.6	25.4	0	0	0	110.8
473	E	23.2	Very low	25.9	Very low	147 Å²	147	149.3 Å²	149.3	69%	0.687	77%	0.773	S	S	*	*				73.3	135.7	67.6	-68.5	166.5	-171.4	0	0	112
474	F	20.5	Very low	26.1	Very low	157 Å²	157	148.7 Å²	148.7	69%	0.689	77%	0.765	S	S	*	*			cis	-138.4	-173	-6.7	-95.4	-64.4	0	0	0	107.7	E476	F474-E476 HydrophobicContact CD1-CG 4.47Å
475	S	24.2	Very low	26.1	Very low	97 Å²	97	146.8 Å²	146.8	68%	0.678	75%	0.749	S	S	*	*			cis	-145.7	153.6	12.9	-27.9	0	0	0	0	109.8
476	E	25.5	Very low	26	Very low	153 Å²	153	144.4 Å²	144.4	72%	0.715	74%	0.741	S	S	*	*				74.4	115	77.3	-57	175.2	144.3	0	0	116.9	F474	F474-E476 HydrophobicContact CD1-CG 4.47Å
477	A	24.2	Very low	26	Very low	98 Å²	98	141.5 Å²	141.5	81%	0.81	73%	0.73	S	S	*	*				157.7	151.7	129.7	0	0	0	0	0	112.1
478	D	25.3	Very low	26.1	Very low	138 Å²	138	141.2 Å²	141.2	74%	0.738	73%	0.728	S	S	*	*				-162.3	170	-69.2	-113.7	-43.8	0	0	0	110.4
479	M	28.8	Very low	25.9	Very low	157 Å²	157	137.8 Å²	137.8	77%	0.773	72%	0.722	S	S	*	*			trans	65.9	146.7	161.4	-79.8	169.4	64.3	0	0	118.6
480	E	27.4	Very low	26.1	Very low	153 Å²	153	133.4 Å²	133.4	72%	0.715	72%	0.717	S	S	*	*			cis	-162.8	-173.9	-14.2	-140.5	175.1	-166.6	0	0	111.5
481	L	22.9	Very low	26.3	Very low	145 Å²	145	132.8 Å²	132.8	76%	0.759	72%	0.717	S	S	*	*			trans	81.8	82.6	157.9	-116.4	69.1	0	0	0	121.2
482	S	24.1	Very low	26.1	Very low	89 Å²	89	131.5 Å²	131.5	62%	0.622	72%	0.716	S	S	*	*				43	144.9	108.5	-48.8	0	0	0	0	124
483	E	27	Very low	26	Very low	181 Å²	181	134.6 Å²	134.6	85%	0.846	72%	0.722	S	S	*	*			trans	70.1	148.8	150.2	-69	159.5	-146.3	0	0	117.4
484	E	30.3	Very low	26.1	Very low	157 Å²	157	130.8 Å²	130.8	73%	0.734	72%	0.721	S	S	*	*			cis	-157.9	165.2	-6.2	-119.4	-144.6	162.5	0	0	107.9
485	I	27.4	Very low	26.2	Very low	99 Å²	99	133.4 Å²	133.4	51%	0.508	73%	0.728	S	S	.	*			cis	-160.4	145.4	-5.3	-155.6	-168.6	0	0	0	110.6
486	Q	31.2	Very low	26.1	Very low	154 Å²	154	133.1 Å²	133.1	72%	0.72	73%	0.726	S	S	*	*			trans	51.9	169.1	146.8	-81.1	167.4	40.3	0	0	121.8
487	T	24.8	Very low	26.2	Very low	99 Å²	99	132.8 Å²	132.8	61%	0.607	73%	0.725	S	S	*	*			cis	-148.1	141.7	0.9	-3.3	0	0	0	0	112.7
488	N	25.8	Very low	26.1	Very low	149 Å²	149	135.7 Å²	135.7	80%	0.797	73%	0.727	S	S	*	*				36.4	152	129.3	-60.7	-3.8	0	0	0	123.9
489	A	26.7	Very low	26.1	Very low	79 Å²	79	138.1 Å²	138.1	65%	0.653	73%	0.727	S	S	*	*			cis	-177.4	168.6	-18.7	0	0	0	0	0	112
490	S	27.5	Very low	25.8	Very low	109 Å²	109	138.3 Å²	138.3	76%	0.762	73%	0.726	S	S	*	*			trans	77.5	159.2	141	-71.6	0	0	0	0	123.9
491	Q	28.1	Very low	25.8	Very low	179 Å²	179	138.4 Å²	138.4	84%	0.836	73%	0.726	S	S	*	*			trans	68.1	120.1	164.4	-92.8	150.5	-25.7	0	0	118.5
492	V	26	Very low	25.8	Very low	119 Å²	119	138.2 Å²	138.2	72%	0.721	72%	0.721	S	S	*	*			cis	99.6	112.9	31	171.7	0	0	0	0	113.7
493	Q	24.8	Very low	25.8	Very low	168 Å²	168	140.2 Å²	140.2	79%	0.785	73%	0.725	S	S	*	*			trans	41.8	111.3	150.5	-61.6	175.2	-73.4	0	0	121.7
494	G	25.2	Very low	25.8	Very low	66 Å²	66	143.4 Å²	143.4	68%	0.68	73%	0.729	S	S	*	*			trans	-144.7	143.4	137.8	0	0	0	0	0	107.1
495	Y	22.9	Very low	25.5	Very low	212 Å²	212	140.8 Å²	140.8	83%	0.831	73%	0.734	S	S	*	*			cis	55	121.1	37.8	-63.5	-75.7	0	0	0	112.5
496	S	23.2	Very low	25.4	Very low	91 Å²	91	139.6 Å²	139.6	64%	0.636	75%	0.747	S	S	*	*			cis	-152	-159.2	-8.9	-146.3	0	0	0	0	111.1
497	E	25.8	Very low	25.3	Very low	146 Å²	146	142.2 Å²	142.2	68%	0.682	75%	0.75	S	S	*	*			trans	-38.5	149.1	178.9	-61.8	111	134.9	0	0	116.9
498	D	24	Very low	25.4	Very low	160 Å²	160	144 Å²	144	86%	0.856	75%	0.751	S	S	*	*				-158.6	173	108.2	-114.8	-31.9	0	0	0	114.2
499	Y	24.9	Very low	25.4	Very low	188 Å²	188	145.2 Å²	145.2	74%	0.737	75%	0.752	S	S	*	*			trans	-101.5	170.4	-154.1	-94.8	-104.9	0	0	0	117.7
500	E	22.9	Very low	25.3	Very low	161 Å²	161	145.2 Å²	145.2	75%	0.752	76%	0.76	S	S	*	*			trans	73.7	126.7	151.9	-82.3	178.4	-177.4	0	0	118.8
501	H	26.2	Very low	25.2	Very low	156 Å²	156	146.6 Å²	146.6	72%	0.722	76%	0.764	S	S	*	*				66	135.8	83.8	-80.8	-11.9	0	0	0	113.8
502	Q	24.1	Very low	24.9	Very low	141 Å²	141	145.1 Å²	145.1	66%	0.659	77%	0.766	S	S	*	*			cis	-158.6	176.2	-5.4	-140.7	-179.8	-55.9	0	0	110.8
503	D	23.7	Very low	24.8	Very low	131 Å²	131	148 Å²	148	70%	0.701	77%	0.774	S	S	*	*			trans	6.4	126.2	158.9	-70	-61.4	0	0	0	120.5
504	R	25.6	Very low	24.7	Very low	247 Å²	247	148.2 Å²	148.2	93%	0.932	77%	0.773	S	S	*	*				-162.1	151.7	98.7	-129.1	168.9	177.9	137.8	-0.5	114.8
505	A	25.3	Very low	24.4	Very low	102 Å²	102	152 Å²	152	84%	0.843	77%	0.773	S	S	*	*			trans	-90.2	153.6	174.6	0	0	0	0	0	112.7
506	G	24.8	Very low	24.6	Very low	74 Å²	74	150.7 Å²	150.7	76%	0.763	77%	0.774	S	S	*	*			trans	172.9	87.2	161.3	0	0	0	0	0	120.9
507	R	28.6	Very low	24.7	Very low	210 Å²	210	152.1 Å²	152.1	79%	0.792	78%	0.781	S	S	*	*				73	106.1	120.1	-163.4	-179.4	-145.5	-132.9	5.5	120.9
508	Q	27.1	Very low	24.5	Very low	135 Å²	135	149.9 Å²	149.9	63%	0.631	78%	0.782	S	S	*	*			trans	71.4	162.6	145.1	-64.3	172.7	3.5	0	0	115.9
509	Q	25.5	Very low	24.6	Very low	176 Å²	176	147 Å²	147	82%	0.822	77%	0.774	S	S	*	*			cis	-152.7	174.8	4.3	-137.6	167.6	85.4	0	0	109.1
510	G	25.7	Very low	24.6	Very low	78 Å²	78	148.5 Å²	148.5	80%	0.804	79%	0.785	S	S	*	*			trans	121.6	104.6	160.8	0	0	0	0	0	116.3
511	T	24	Very low	24.7	Very low	139 Å²	139	146.1 Å²	146.1	85%	0.853	79%	0.786	S	S	*	*			trans	-93.9	139.9	172.9	47.7	0	0	0	0	112.2
512	V	22.7	Very low	24.6	Very low	147 Å²	147	148 Å²	148	89%	0.891	80%	0.797	S	S	*	*			trans	-135	134.7	149.8	-179.5	0	0	0	0	108.4
513	M	23.2	Very low	24.6	Very low	179 Å²	179	148.4 Å²	148.4	88%	0.882	80%	0.804	S	S	*	*			trans	-108.4	146	167.1	-78	-174.1	162.4	0	0	109.5
514	K	22.3	Very low	24.6	Very low	173 Å²	173	146.2 Å²	146.2	75%	0.752	80%	0.798	S	S	*	*			trans	-160.7	145.5	145.9	-118.4	176.2	175.1	-115	0	113.4
515	E	20.9	Very low	24.5	Very low	146 Å²	146	141.6 Å²	141.6	68%	0.682	79%	0.792	S	S	*	*			trans	55.3	111.7	152.2	-79	137.9	-144.4	0	0	121.4
516	Q	27.1	Very low	24.3	Very low	184 Å²	184	144 Å²	144	86%	0.86	79%	0.79	S	S	*	*			trans	-76.6	159.9	131.5	-68.7	-174.1	-23.8	0	0	109.2
517	P	23.9	Very low	24.5	Very low	122 Å²	122	149.7 Å²	149.7	79%	0.792	79%	0.794	S	S	*	*				-140.1	142.7	110.6	37	-25.9	0	0	0	116.2
518	S	21.7	Very low	24.3	Very low	99 Å²	99	144.3 Å²	144.3	69%	0.692	79%	0.789	S	S	*	*			trans	29	128.4	141.8	-156.5	0	0	0	0	122.7
519	S	26.3	Very low	24.2	Very low	99 Å²	99	148.5 Å²	148.5	69%	0.692	80%	0.8	S	S	*	*			trans	60.1	116.5	136	63.6	0	0	0	0	121.4
520	K	24.9	Very low	24.3	Very low	220 Å²	220	145.4 Å²	145.4	96%	0.957	79%	0.793	S	S	*	*				-152.8	149.9	114.5	-106.9	163.8	-173.1	178	0	110.1
521	S	25.1	Very low	24.4	Very low	111 Å²	111	149.4 Å²	149.4	78%	0.776	79%	0.791	S	S	*	*			trans	-113.1	134.8	177.9	179.9	0	0	0	0	109.5
522	M	23.6	Very low	24.6	Very low	195 Å²	195	152.8 Å²	152.8	96%	0.961	79%	0.794	S	S	*	*			trans	-146.1	159.5	156.5	-91.9	-163.4	162.2	0	0	109.2
523	N	23.6	Very low	25	Very low	149 Å²	149	155 Å²	155	80%	0.797	79%	0.791	S	S	*	*			trans	-105.5	174.7	-147.3	-154.3	13.1	0	0	0	115.2
524	C	25.2	Very low	25.2	Very low	85 Å²	85	151.8 Å²	151.8	57%	0.574	79%	0.786	S	S	*	*			trans	-52.5	153.7	175.4	58.7	0	0	0	0	114.2
525	N	23.7	Very low	25.5	Very low	151 Å²	151	147.5 Å²	147.5	81%	0.807	78%	0.778	S	S	*	*				-156.2	142.8	61.9	-85.6	-41.2	0	0	0	114.5
526	D	21.2	Very low	26.7	Very low	152 Å²	152	145.4 Å²	145.4	81%	0.813	78%	0.78	S	S	*	*			trans	-155.3	166.6	140.8	-155.9	-3.4	0	0	0	110.9
527	F	28.9	Very low	27.7	Very low	194 Å²	194	142.8 Å²	142.8	85%	0.851	77%	0.767	S	S	*	*			trans	-75.5	134	-166.7	-81.2	-110.5	0	0	0	114.9
528	S	24.7	Very low	28.9	Very low	97 Å²	97	142 Å²	142	68%	0.678	75%	0.749	S	S	*	*				174.1	120.4	115.8	45.8	0	0	0	0	112.6	V530	S528-V530 VanDerWaalsContact C-N 3.26Å; S528-V530 PolarHBondContact O-N 3.13Å
529	Y	24.8	Very low	31	Very low	222 Å²	222	141 Å²	141	87%	0.871	74%	0.74	S	S	*	*			trans	-81.3	73.1	175.6	-145.8	-82.8	0	0	0	111.7	H531	Y529-H531 PolarHBondContact O-N 3.17Å
530	V	26	Very low	33.2	Very low	111 Å²	111	139.1 Å²	139.1	67%	0.673	72%	0.72	S	S	*	*			trans	-56.1	106	177.6	177.8	0	0	0	0	109.7	S528 K532	S528-V530 VanDerWaalsContact C-N 3.26Å; S528-V530 PolarHBondContact O-N 3.13Å; V530-K532 PolarHBondContact O-N 3.32Å
531	H	29.2	Very low	35.4	Very low	163 Å²	163	134.6 Å²	134.6	76%	0.755	70%	0.7	S	S	*	*			trans	-55.4	116	170.1	-84.8	34.7	0	0	0	109.2	Y529 K533	Y529-H531 PolarHBondContact O-N 3.17Å; H531-K533 PolarHBondContact O-N 3.34Å
532	K	27.8	Very low	38	Very low	209 Å²	209	129.4 Å²	129.4	91%	0.909	66%	0.664	S	S	*	*			trans	-60.2	98.6	174.7	-80.1	178.7	177.5	170.2	0	109	V530 S534	V530-K532 PolarHBondContact O-N 3.32Å; K532-S534 PolarHBondContact O-N 3.07Å
533	K	29.9	Very low	40.6	Very low	194 Å²	194	127.1 Å²	127.1	84%	0.843	66%	0.655	S	S	*	*			trans	-50.6	112.7	166.7	-73.5	169.4	178.1	163	0	107.8	H531 S535	H531-K533 PolarHBondContact O-N 3.34Å; K533-S535 PolarHBondContact O-N 3.29Å
534	S	29.1	Very low	42.9	Very low	111 Å²	111	124.4 Å²	124.4	78%	0.776	64%	0.638	S	S	*	*			trans	-55.7	115.7	153.7	56.5	0	0	0	0	106	K532 S536	K532-S534 PolarHBondContact O-N 3.07Å; S534-S536 PolarHBondContact O-N 2.9Å
535	S	28.2	Very low	45.2	Very low	84 Å²	84	122.8 Å²	122.8	59%	0.587	63%	0.627	S	S	*	*			trans	-62.7	109.7	-169.4	54	0	0	0	0	109.4	K533 E537	K533-S535 PolarHBondContact O-N 3.29Å; S535-E537 VanDerWaalsContact CB-OE1 3.31Å; S535-E537 WeakPolarHBondContact CB-OE1 3.39Å; S535-E537 PolarHBondContact O-N 3.47Å; S535-E537 PolarHBondContact OG-OE1 3.1Å
536	S	46.7	Very low	47.4	Very low	101 Å²	101	117.5 Å²	117.5	71%	0.706	61%	0.608	S	S	*	*			trans	-76.7	47.8	170	71.2	0	0	0	0	109.7	S534 R538	S534-S536 PolarHBondContact O-N 2.9Å; S536-R538 PolarHBondContact O-N 3.36Å; S536-R538 VanDerWaalsContact O-N 3.12Å
537	E	46.2	Very low	49.7	Very low	129 Å²	129	115.9 Å²	115.9	60%	0.603	59%	0.594	S	S	*	*			trans	-55.8	118.3	169.7	-86.3	167.4	-122.4	0	0	107.7	S535 P539	S535-E537 VanDerWaalsContact CB-OE1 3.31Å; S535-E537 WeakPolarHBondContact CB-OE1 3.39Å; S535-E537 PolarHBondContact O-N 3.47Å; S535-E537 PolarHBondContact OG-OE1 3.1Å; E537-P539 HydrophobicContact CB-CG 4.19Å; E537-P539 WeakPolarHBondContact O-CD 3.43Å
538	R	50.9	Low	51.6	Low	107 Å²	107	108.7 Å²	108.7	40%	0.404	57%	0.568	S	S	.	*			trans	-102.8	80.4	158.8	-70.2	163.8	159.3	116.9	-9.7	103	S536 H540 S548 F549 I550	S536-R538 PolarHBondContact O-N 3.36Å; S536-R538 VanDerWaalsContact O-N 3.12Å; R538-H540 PolarHBondContact O-N 2.65Å; R538-S548 VanDerWaalsContact CB-CB 3.4Å; R538-S548 WeakPolarHBondContact CD-O 3.35Å; R538-F549 CarbonylContact C-O 3.56Å; R538-F549 VanDerWaalsContact C-O 3.31Å; R538-F549 VanDerWaalsContact CA-O 3.29Å; R538-F549 WeakPolarHBondContact CA-O 3.38Å; R538-I550 HydrophobicContact CG-CG1 4.23Å
539	P	64.4	Low	54.1	Low	78 Å²	78	106.3 Å²	106.3	51%	0.506	55%	0.545	S	S	.	.			trans	-62.3	-24.2	-162.8	-15.1	28	0	0	0	111.3	E537 K541	E537-P539 HydrophobicContact CB-CG 4.19Å; E537-P539 WeakPolarHBondContact O-CD 3.43Å; P539-K541 PolarHBondContact O-N 3.24Å
540	H	72.8	Confident	56.2	Low	59 Å²	59	100.9 Å²	100.9	27%	0.273	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	75.7	-175	-48.8	-60.1	0	0	0	109.5	R538 F549 S552 L555	R538-H540 PolarHBondContact O-N 2.65Å; H540-F549 HydrophobicContact CB-CB 4.44Å; H540-F549 PolarHBondContact O-N 3.01Å; H540-S552 PolarHBondContact CD2-N 2.8Å; H540-S552 PolarHBondContact NE2-N 3.18Å; H540-L555 HydrophobicContact CB-CB 3.72Å; H540-L555 HydrophobicContact CB-CD2 3.67Å; H540-L555 HydrophobicContact CB-CG 4.29Å
541	K	71.4	Confident	58.6	Low	125 Å²	125	100.6 Å²	100.6	54%	0.543	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	137.2	169.1	-176.3	176.4	177.2	-169.9	0	110.5	P539 S548 L555	P539-K541 PolarHBondContact O-N 3.24Å; K541-S548 WeakPolarHBondContact CG-OG 3.39Å; K541-L555 WeakPolarHBondContact O-CD2 3.42Å
542	C	80.7	Confident	60.7	Low	1 Å²	1	95.8 Å²	95.8	1%	0.007	51%	0.506	C	S	.	.			trans	-81.8	123.4	165	168	0	0	0	0	109.4	E544 C545 G546 K547 F549 L555 H562	C542-E544 PolarHBondContact SG-OE2 3.29Å; C542-C545 PolarHBondContact SG-N 3.49Å; C542-G546 VanDerWaalsContact O-CA 3.24Å; C542-G546 WeakPolarHBondContact O-CA 3.38Å; C542-G546 PolarHBondContact O-N 2.98Å; C542-K547 VanDerWaalsContact CB-O 3.26Å; C542-K547 WeakPolarHBondContact CB-O 3.49Å; C542-K547 PolarHBondContact N-O 3.34Å; C542-F549 HydrophobicContact CB-CE2 4.47Å; C542-L555 HydrophobicContact CB-CD1 3.58Å; C542-H562 VanDerWaalsContact SG-CD2 3.58Å; C542-H562 PolarHBondContact SG-NE2 3.21Å
543	N	76.8	Confident	62.9	Low	147 Å²	147	88.6 Å²	88.6	79%	0.786	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-35.2	-179.8	-64.7	-9	0	0	0	111.2	C545	N543-C545 PolarHBondContact O-N 3.44Å
544	E	72.4	Confident	65.2	Low	92 Å²	92	83.5 Å²	83.5	43%	0.43	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-23.4	-176.6	-55.2	106.3	155.5	0	0	114.3	C542 R559 H562	C542-E544 PolarHBondContact SG-OE2 3.29Å; E544-R559 IonicContact OE1-CZ 3.93Å; E544-R559 IonicContact OE1-NE 2.65Å; E544-R559 PolarHBondContact OE1-NE 3.07Å; E544-R559 IonicContact OE1-NH2 3.29Å; E544-R559 IonicContact OE2-NE 3.58Å; E544-H562 HydrophobicContact CB-CB 4.33Å; E544-H562 HydrophobicContact CG-CB 4.27Å; E544-H562 IonicContact OE2-CD2 2.68Å; E544-H562 PolarHBondContact OE2-CD2 3.18Å
545	C	74.6	Confident	67.5	Low	52 Å²	52	79.4 Å²	79.4	35%	0.351	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.7	14.5	-178.8	76.2	0	0	0	0	116.1	C542 N543 K547 H558 H562	C542-C545 PolarHBondContact SG-N 3.49Å; N543-C545 PolarHBondContact O-N 3.44Å; C545-K547 PolarHBondContact O-N 3.06Å; C545-K547 VanDerWaalsContact SG-CD 3.57Å; C545-H558 PolarHBondContact SG-NE2 3.08Å; C545-H562 PolarHBondContact SG-CE1 2.85Å; C545-H562 PolarHBondContact SG-NE2 2.68Å; C545-H562 VanDerWaalsContact SG-NE2 3.36Å
546	G	69.5	Low	69.7	Low	40 Å²	40	80 Å²	80	41%	0.412	43%	0.43	S	S	.	.			trans	68.3	-5.7	175	0	0	0	0	0	116.8	C542 S548	C542-G546 VanDerWaalsContact O-CA 3.24Å; C542-G546 WeakPolarHBondContact O-CA 3.38Å; C542-G546 PolarHBondContact O-N 2.98Å; G546-S548 PolarHBondContact O-N 3.23Å; G546-S548 PolarHBondContact O-OG 2.99Å
547	K	69.1	Low	71.1	Confident	118 Å²	118	78.6 Å²	78.6	51%	0.513	41%	0.412	S	S	.	.			trans	-66	122.7	178.8	-68.7	172.5	-168.1	153.6	0	110.1	C542 C545 F549	C542-K547 VanDerWaalsContact CB-O 3.26Å; C542-K547 WeakPolarHBondContact CB-O 3.49Å; C542-K547 PolarHBondContact N-O 3.34Å; C545-K547 PolarHBondContact O-N 3.06Å; C545-K547 VanDerWaalsContact SG-CD 3.57Å; K547-F549 HydrophobicContact CB-CE2 3.78Å; K547-F549 HydrophobicContact CB-CZ 4Å; K547-F549 WeakPolarHBondContact O-CD2 3.29Å; K547-F549 VanDerWaalsContact O-CE2 3.22Å; K547-F549 WeakPolarHBondContact O-CE2 3.27Å
548	S	68.9	Low	72.5	Confident	42 Å²	42	73.2 Å²	73.2	29%	0.294	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.9	-178.9	-49.3	0	0	0	0	112.7	R538 K541 G546	R538-S548 VanDerWaalsContact CB-CB 3.4Å; R538-S548 WeakPolarHBondContact CD-O 3.35Å; K541-S548 WeakPolarHBondContact CG-OG 3.39Å; G546-S548 PolarHBondContact O-N 3.23Å; G546-S548 PolarHBondContact O-OG 2.99Å
549	F	76.4	Confident	73.5	Confident	47 Å²	47	73.3 Å²	73.3	21%	0.206	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.4	-171.8	-61.3	-92.9	0	0	0	111.7	R538 H540 C542 K547 Q551 H554 L555 H558	R538-F549 CarbonylContact C-O 3.56Å; R538-F549 VanDerWaalsContact C-O 3.31Å; R538-F549 VanDerWaalsContact CA-O 3.29Å; R538-F549 WeakPolarHBondContact CA-O 3.38Å; H540-F549 HydrophobicContact CB-CB 4.44Å; H540-F549 PolarHBondContact O-N 3.01Å; C542-F549 HydrophobicContact CB-CE2 4.47Å; K547-F549 HydrophobicContact CB-CE2 3.78Å; K547-F549 HydrophobicContact CB-CZ 4Å; K547-F549 WeakPolarHBondContact O-CD2 3.29Å; K547-F549 VanDerWaalsContact O-CE2 3.22Å; K547-F549 WeakPolarHBondContact O-CE2 3.27Å; F549-Q551 VanDerWaalsContact C-N 3.3Å; F549-H554 HydrophobicContact CB-CB 4.23Å; F549-H554 HydrophobicContact CD1-CB 3.83Å; F549-H554 HydrophobicContact CG-CB 4.3Å; F549-L555 HydrophobicContact CB-CB 4.3Å; F549-L555 HydrophobicContact CD2-CB 4.04Å; F549-L555 HydrophobicContact CD2-CD1 3.95Å; F549-L555 HydrophobicContact CE2-CD1 4.22Å; F549-L555 HydrophobicContact CG-CB 4.35Å; F549-H558 HydrophobicContact CE1-CB 4.06Å; F549-H558 HydrophobicContact CE2-CB 3.85Å; F549-H558 AromaticContact CE2-CD2 3.27Å; F549-H558 WeakPolarHBondContact CE2-CD2 3.45Å; F549-H558 AromaticContact CE2-CG 3.63Å; F549-H558 HydrophobicContact CZ-CB 3.51Å; F549-H558 AromaticContact CZ-CD2 3.4Å; F549-H558 WeakPolarHBondContact CZ-CD2 3.29Å; F549-H558 AromaticContact CZ-CG 3.3Å
550	I	70	Confident	74.1	Confident	108 Å²	108	72.3 Å²	72.3	55%	0.554	37%	0.373	S	S	*	.	S	Bend	trans	-76.7	-20.3	179.8	-57	173.6	0	0	0	111.3	R538	R538-I550 HydrophobicContact CG-CG1 4.23Å
551	Q	75.6	Confident	74.1	Confident	106 Å²	106	74.8 Å²	74.8	50%	0.495	39%	0.387	S	S	.	.	S	Bend	trans	-135.8	140.4	-179.1	-66.5	175.4	-15.2	0	0	110.6	F549 A553 H554 L555	F549-Q551 VanDerWaalsContact C-N 3.3Å; Q551-A553 VanDerWaalsContact C-N 3.28Å; Q551-A553 PolarHBondContact O-N 3.24Å; Q551-H554 PolarHBondContact O-N 3.03Å; Q551-H554 VanDerWaalsContact O-N 3.1Å; Q551-H554 PolarHBondContact OE1-CE1 2.82Å; Q551-H554 PolarHBondContact OE1-ND1 3.02Å; Q551-L555 PolarHBondContact O-N 3.47Å
552	S	73.1	Confident	74	Confident	61 Å²	61	72.3 Å²	72.3	43%	0.427	38%	0.377	S	S	.	.	H	α-helix	trans	-58	-39.2	178.1	54.6	0	0	0	0	112.3	H540 H554 L555 I556	H540-S552 PolarHBondContact CD2-N 2.8Å; H540-S552 PolarHBondContact NE2-N 3.18Å; S552-H554 VanDerWaalsContact C-N 3.27Å; S552-H554 PolarHBondContact O-N 3.19Å; S552-L555 WeakPolarHBondContact O-CB 3.45Å; S552-L555 PolarHBondContact O-N 3.15Å; S552-L555 VanDerWaalsContact O-N 3.08Å; S552-I556 VanDerWaalsContact O-CG1 3.31Å; S552-I556 WeakPolarHBondContact O-CG1 3.27Å; S552-I556 PolarHBondContact O-N 3.03Å
553	A	74.9	Confident	73.5	Confident	59 Å²	59	75.1 Å²	75.1	49%	0.488	40%	0.395	S	S	.	.	H	α-helix	trans	-56.4	-38.7	175.8	0	0	0	0	0	113	Q551 Q557	Q551-A553 VanDerWaalsContact C-N 3.28Å; Q551-A553 PolarHBondContact O-N 3.24Å; A553-Q557 VanDerWaalsContact O-CB 3.28Å; A553-Q557 WeakPolarHBondContact O-CB 3.35Å; A553-Q557 PolarHBondContact O-N 3.33Å
554	H	77.3	Confident	73.3	Confident	87 Å²	87	70.3 Å²	70.3	40%	0.403	38%	0.38	S	S	.	.	H	α-helix	trans	-74.5	-33.6	176.1	-66.2	131.2	0	0	0	112.4	F549 Q551 S552 H558	F549-H554 HydrophobicContact CB-CB 4.23Å; F549-H554 HydrophobicContact CD1-CB 3.83Å; F549-H554 HydrophobicContact CG-CB 4.3Å; Q551-H554 PolarHBondContact O-N 3.03Å; Q551-H554 VanDerWaalsContact O-N 3.1Å; Q551-H554 PolarHBondContact OE1-CE1 2.82Å; Q551-H554 PolarHBondContact OE1-ND1 3.02Å; S552-H554 VanDerWaalsContact C-N 3.27Å; S552-H554 PolarHBondContact O-N 3.19Å; H554-H558 WeakPolarHBondContact O-CB 3.34Å; H554-H558 PolarHBondContact O-N 3.01Å
555	L	77.8	Confident	73.2	Confident	25 Å²	25	69.9 Å²	69.9	13%	0.131	38%	0.378	C	S	.	.	H	α-helix	trans	-64.4	-46.5	169.5	172.9	63.2	0	0	0	111.2	H540 K541 C542 F549 Q551 S552 Q557 H558 R559	H540-L555 HydrophobicContact CB-CB 3.72Å; H540-L555 HydrophobicContact CB-CD2 3.67Å; H540-L555 HydrophobicContact CB-CG 4.29Å; K541-L555 WeakPolarHBondContact O-CD2 3.42Å; C542-L555 HydrophobicContact CB-CD1 3.58Å; F549-L555 HydrophobicContact CB-CB 4.3Å; F549-L555 HydrophobicContact CD2-CB 4.04Å; F549-L555 HydrophobicContact CD2-CD1 3.95Å; F549-L555 HydrophobicContact CE2-CD1 4.22Å; F549-L555 HydrophobicContact CG-CB 4.35Å; Q551-L555 PolarHBondContact O-N 3.47Å; S552-L555 WeakPolarHBondContact O-CB 3.45Å; S552-L555 PolarHBondContact O-N 3.15Å; S552-L555 VanDerWaalsContact O-N 3.08Å; L555-Q557 PolarHBondContact O-N 3.09Å; L555-H558 CarbonylContact O-C 3.52Å; L555-H558 WeakPolarHBondContact O-CA 3.32Å; L555-H558 WeakPolarHBondContact O-CB 3.5Å; L555-H558 PolarHBondContact O-N 3.1Å; L555-R559 HydrophobicContact CD1-CG 4.06Å; L555-R559 HydrophobicContact CG-CG 4.37Å; L555-R559 WeakPolarHBondContact O-CG 3.35Å; L555-R559 PolarHBondContact O-N 2.89Å
556	I	75.3	Confident	73.4	Confident	95 Å²	95	73.6 Å²	73.6	49%	0.487	39%	0.388	S	S	.	.	H	α-helix	trans	-61.1	-46.6	179.6	-67.8	160.9	0	0	0	110	S552 H558 R559	S552-I556 VanDerWaalsContact O-CG1 3.31Å; S552-I556 WeakPolarHBondContact O-CG1 3.27Å; S552-I556 PolarHBondContact O-N 3.03Å; I556-H558 PolarHBondContact O-N 3.05Å; I556-R559 PolarHBondContact O-N 2.97Å
557	Q	74.9	Confident	73.8	Confident	72 Å²	72	74.9 Å²	74.9	34%	0.336	39%	0.389	S	S	.	.	H	α-helix	trans	-60.4	-33.4	173.3	-175.7	-176.4	75.7	0	0	112.6	A553 L555 Q579	A553-Q557 VanDerWaalsContact O-CB 3.28Å; A553-Q557 WeakPolarHBondContact O-CB 3.35Å; A553-Q557 PolarHBondContact O-N 3.33Å; L555-Q557 PolarHBondContact O-N 3.09Å; Q557-Q579 HydrophobicContact CG-CG 4.25Å; Q557-Q579 VanDerWaalsContact NE2-CD 3.27Å
558	H	75.5	Confident	74.5	Confident	16 Å²	16	71.5 Å²	71.5	7%	0.074	37%	0.374	C	S	.	.	H	α-helix	trans	-76.1	-37.7	177	175.2	52.3	0	0	0	113.5	C545 F549 H554 L555 I556 R560 I561 H562	C545-H558 PolarHBondContact SG-NE2 3.08Å; F549-H558 HydrophobicContact CE1-CB 4.06Å; F549-H558 HydrophobicContact CE2-CB 3.85Å; F549-H558 AromaticContact CE2-CD2 3.27Å; F549-H558 WeakPolarHBondContact CE2-CD2 3.45Å; F549-H558 AromaticContact CE2-CG 3.63Å; F549-H558 HydrophobicContact CZ-CB 3.51Å; F549-H558 AromaticContact CZ-CD2 3.4Å; F549-H558 WeakPolarHBondContact CZ-CD2 3.29Å; F549-H558 AromaticContact CZ-CG 3.3Å; H554-H558 WeakPolarHBondContact O-CB 3.34Å; H554-H558 PolarHBondContact O-N 3.01Å; L555-H558 CarbonylContact O-C 3.52Å; L555-H558 WeakPolarHBondContact O-CA 3.32Å; L555-H558 WeakPolarHBondContact O-CB 3.5Å; L555-H558 PolarHBondContact O-N 3.1Å; I556-H558 PolarHBondContact O-N 3.05Å; H558-R560 PolarHBondContact O-N 3.09Å; H558-I561 VanDerWaalsContact O-CB 3.24Å; H558-I561 WeakPolarHBondContact O-CB 3.32Å; H558-I561 WeakPolarHBondContact O-CG1 3.39Å; H558-I561 PolarHBondContact O-N 3.4Å; H558-H562 AromaticContact CD2-NE2 3.86Å; H558-H562 AromaticContact CE1-CE1 3.82Å; H558-H562 AromaticContact CE1-NE2 3.39Å; H558-H562 PolarHBondContact CE1-NE2 2.83Å; H558-H562 AromaticContact NE2-CE1 3.81Å; H558-H562 AromaticContact NE2-NE2 3.05Å; H558-H562 PolarHBondContact NE2-NE2 3.19Å
559	R	71.4	Confident	75	Confident	109 Å²	109	77.1 Å²	77.1	41%	0.411	39%	0.389	S	S	.	.	H	α-helix	trans	-58.5	-31.7	178	-76.4	-168.8	67.5	-125.2	-7.8	112.6	E544 L555 I556 I561 H562 T563	E544-R559 IonicContact OE1-CZ 3.93Å; E544-R559 IonicContact OE1-NE 2.65Å; E544-R559 PolarHBondContact OE1-NE 3.07Å; E544-R559 IonicContact OE1-NH2 3.29Å; E544-R559 IonicContact OE2-NE 3.58Å; L555-R559 HydrophobicContact CD1-CG 4.06Å; L555-R559 HydrophobicContact CG-CG 4.37Å; L555-R559 WeakPolarHBondContact O-CG 3.35Å; L555-R559 PolarHBondContact O-N 2.89Å; I556-R559 PolarHBondContact O-N 2.97Å; R559-I561 PolarHBondContact O-N 3.25Å; R559-H562 PolarHBondContact O-N 3.29Å; R559-T563 PolarHBondContact O-N 3.22Å; R559-T563 PolarHBondContact O-OG1 2.84Å
560	R	78.5	Confident	75.5	Confident	58 Å²	58	74.9 Å²	74.9	22%	0.219	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-13	171.1	-60.8	-171	177.7	152.3	4.6	115.4	H558 T563 G564 E565 N578	H558-R560 PolarHBondContact O-N 3.09Å; R560-T563 WeakPolarHBondContact CA-OG1 3.37Å; R560-G564 CarbonylContact O-C 3.31Å; R560-G564 PolarHBondContact O-N 3.42Å; R560-E565 HydrophobicContact CB-CB 4Å; R560-E565 HydrophobicContact CG-CB 3.79Å; R560-E565 IonicContact NE-OE2 2.85Å; R560-E565 PolarHBondContact O-N 3.15Å; R560-N578 HydrophobicContact CB-CB 4.47Å; R560-N578 PolarHBondContact NH1-O 3.37Å
561	I	71.4	Confident	76.1	Confident	110 Å²	110	78.4 Å²	78.4	56%	0.564	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-31.1	171.9	-55.5	-176.8	0	0	0	110.7	H558 R559	H558-I561 VanDerWaalsContact O-CB 3.24Å; H558-I561 WeakPolarHBondContact O-CB 3.32Å; H558-I561 WeakPolarHBondContact O-CG1 3.39Å; H558-I561 PolarHBondContact O-N 3.4Å; R559-I561 PolarHBondContact O-N 3.25Å
562	H	70	Confident	76.4	Confident	73 Å²	73	78.9 Å²	78.9	34%	0.338	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-43.1	178.6	-49.6	-54.9	0	0	0	111.9	C542 E544 C545 H558 R559 G564	C542-H562 VanDerWaalsContact SG-CD2 3.58Å; C542-H562 PolarHBondContact SG-NE2 3.21Å; E544-H562 HydrophobicContact CB-CB 4.33Å; E544-H562 HydrophobicContact CG-CB 4.27Å; E544-H562 IonicContact OE2-CD2 2.68Å; E544-H562 PolarHBondContact OE2-CD2 3.18Å; C545-H562 PolarHBondContact SG-CE1 2.85Å; C545-H562 PolarHBondContact SG-NE2 2.68Å; C545-H562 VanDerWaalsContact SG-NE2 3.36Å; H558-H562 AromaticContact CD2-NE2 3.86Å; H558-H562 AromaticContact CE1-CE1 3.82Å; H558-H562 AromaticContact CE1-NE2 3.39Å; H558-H562 PolarHBondContact CE1-NE2 2.83Å; H558-H562 AromaticContact NE2-CE1 3.81Å; H558-H562 AromaticContact NE2-NE2 3.05Å; H558-H562 PolarHBondContact NE2-NE2 3.19Å; R559-H562 PolarHBondContact O-N 3.29Å; H562-G564 PolarHBondContact O-N 3.29Å
563	T	70.3	Confident	76.8	Confident	61 Å²	61	78 Å²	78	37%	0.374	39%	0.389	S	S	.	.	S	Bend	trans	-76.4	-5.2	176.5	61.2	0	0	0	0	113.5	R559 R560 E565	R559-T563 PolarHBondContact O-N 3.22Å; R559-T563 PolarHBondContact O-OG1 2.84Å; R560-T563 WeakPolarHBondContact CA-OG1 3.37Å; T563-E565 WeakPolarHBondContact CB-OE1 3.26Å; T563-E565 PolarHBondContact O-N 2.95Å; T563-E565 VanDerWaalsContact OG1-CD 3.26Å; T563-E565 WeakPolarHBondContact OG1-CG 3.42Å; T563-E565 PolarHBondContact OG1-OE1 3.4Å
564	G	71.6	Confident	77	Confident	45 Å²	45	76.1 Å²	76.1	46%	0.464	38%	0.375	S	S	.	.			trans	67.7	-2.4	-177.5	0	0	0	0	0	115.3	R560 H562 K566	R560-G564 CarbonylContact O-C 3.31Å; R560-G564 PolarHBondContact O-N 3.42Å; H562-G564 PolarHBondContact O-N 3.29Å; G564-K566 WeakPolarHBondContact O-CG 3.34Å; G564-K566 PolarHBondContact O-N 3.07Å
565	E	72.1	Confident	77.2	Confident	84 Å²	84	77.7 Å²	77.7	39%	0.393	38%	0.381	S	S	.	.			trans	-50.4	123.9	-176.1	-82.6	168.3	-116	0	0	113.2	R560 T563	R560-E565 HydrophobicContact CB-CB 4Å; R560-E565 HydrophobicContact CG-CB 3.79Å; R560-E565 IonicContact NE-OE2 2.85Å; R560-E565 PolarHBondContact O-N 3.15Å; T563-E565 WeakPolarHBondContact CB-OE1 3.26Å; T563-E565 PolarHBondContact O-N 2.95Å; T563-E565 VanDerWaalsContact OG1-CD 3.26Å; T563-E565 WeakPolarHBondContact OG1-CG 3.42Å; T563-E565 PolarHBondContact OG1-OE1 3.4Å
566	K	78.3	Confident	77.2	Confident	130 Å²	130	78.4 Å²	78.4	57%	0.565	39%	0.388	S	S	*	.			trans	-126.6	74.4	175.9	-72.2	156.7	176.5	176.1	0	110.3	G564 F568 S576 Y577	G564-K566 WeakPolarHBondContact O-CG 3.34Å; G564-K566 PolarHBondContact O-N 3.07Å; K566-F568 PolarHBondContact O-N 2.8Å; K566-S576 WeakPolarHBondContact CD-O 3.28Å; K566-S576 WeakPolarHBondContact O-CB 3.27Å; K566-Y577 CarbonylContact C-O 3.59Å; K566-Y577 VanDerWaalsContact CA-O 3.26Å; K566-Y577 WeakPolarHBondContact CA-O 3.29Å
567	P	76.6	Confident	77.6	Confident	67 Å²	67	76.7 Å²	76.7	44%	0.435	38%	0.376	S	S	.	.			trans	-70.4	-3.8	-169.7	-20.4	35	0	0	0	115.5
568	F	84.2	Confident	77.6	Confident	47 Å²	47	75.3 Å²	75.3	21%	0.206	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	85.4	-176.6	-55	-75.3	0	0	0	109.3	K566 S576 Y577 R580 L583	K566-F568 PolarHBondContact O-N 2.8Å; F568-S576 WeakPolarHBondContact O-CA 3.39Å; F568-Y577 WeakPolarHBondContact CD2-O 3.49Å; F568-Y577 PolarHBondContact N-O 2.85Å; F568-Y577 PolarHBondContact O-N 3.33Å; F568-R580 HydrophobicContact CD1-CB 3.85Å; F568-R580 HydrophobicContact CD1-CG 4.35Å; F568-R580 VanDerWaalsContact CD2-N 3.28Å; F568-R580 HydrophobicContact CE1-CB 3.79Å; F568-R580 HydrophobicContact CE1-CG 4.47Å; F568-R580 HydrophobicContact CE2-CB 4.48Å; F568-R580 HydrophobicContact CG-CB 4.24Å; F568-R580 HydrophobicContact CZ-CB 4.11Å; F568-L583 HydrophobicContact CB-CB 4.03Å; F568-L583 HydrophobicContact CB-CD2 3.84Å
569	R	80.3	Confident	77.7	Confident	159 Å²	159	77 Å²	77	60%	0.6	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	139.9	175.5	-179.5	169.4	170.4	103.5	-15.7	110.7	G574 L583	R569-G574 VanDerWaalsContact CZ-CA 3.42Å; R569-G574 PolarHBondContact NH1-O 3.27Å; R569-L583 WeakPolarHBondContact O-CD2 3.5Å
570	C	86.8	Confident	78.1	Confident	0 Å²	0	80 Å²	80	0%	0	39%	0.39	C	S	.	.			trans	-80.8	125.9	164.7	-166.3	0	0	0	0	108.8	G574 K575 L583 H590	C570-G574 WeakPolarHBondContact O-CA 3.34Å; C570-G574 PolarHBondContact O-N 2.88Å; C570-K575 VanDerWaalsContact CB-O 3.32Å; C570-K575 WeakPolarHBondContact CB-O 3.24Å; C570-K575 PolarHBondContact N-O 3.07Å; C570-L583 HydrophobicContact CB-CD1 3.62Å; C570-H590 PolarHBondContact SG-NE2 2.98Å
571	E	81.9	Confident	78.1	Confident	182 Å²	182	82.1 Å²	82.1	85%	0.85	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-42.5	179.9	-73.2	155.5	-163.2	0	0	110.6	C573	E571-C573 VanDerWaalsContact C-N 3.3Å; E571-C573 PolarHBondContact O-N 2.94Å
572	E	82	Confident	78.5	Confident	117 Å²	117	80.2 Å²	80.2	55%	0.547	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.6	-178	-61.7	165.5	116.2	0	0	115.2	H587 H590	E572-H587 IonicContact OE2-ND1 3.64Å; E572-H590 IonicContact OE2-CD2 3.24Å; E572-H590 PolarHBondContact OE2-CD2 3.23Å; E572-H590 IonicContact OE2-CG 3.73Å
573	C	81.6	Confident	79.1	Confident	43 Å²	43	77.7 Å²	77.7	29%	0.291	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149	15.4	-178.1	81.6	0	0	0	0	115.2	E571 K575 H586 H590	E571-C573 VanDerWaalsContact C-N 3.3Å; E571-C573 PolarHBondContact O-N 2.94Å; C573-K575 PolarHBondContact O-N 3.41Å; C573-H586 PolarHBondContact SG-NE2 2.87Å; C573-H590 WeakPolarHBondContact CB-CE1 3.25Å; C573-H590 WeakPolarHBondContact CB-NE2 3.08Å; C573-H590 PolarHBondContact SG-CE1 3.26Å; C573-H590 PolarHBondContact SG-NE2 3.27Å
574	G	79.8	Confident	79.6	Confident	18 Å²	18	78.7 Å²	78.7	19%	0.186	39%	0.392	C	S	.	.			trans	65.9	-4	176.6	0	0	0	0	0	117.8	R569 C570 S576	R569-G574 VanDerWaalsContact CZ-CA 3.42Å; R569-G574 PolarHBondContact NH1-O 3.27Å; C570-G574 WeakPolarHBondContact O-CA 3.34Å; C570-G574 PolarHBondContact O-N 2.88Å; G574-S576 PolarHBondContact O-N 3.22Å; G574-S576 PolarHBondContact O-OG 2.94Å
575	K	80.1	Confident	80	Confident	120 Å²	120	80.1 Å²	80.1	52%	0.522	39%	0.387	S	S	.	.			trans	-70.2	124.2	-175.2	-72.1	172.5	-173.2	164.1	0	110.6	C570 C573 Y577	C570-K575 VanDerWaalsContact CB-O 3.32Å; C570-K575 WeakPolarHBondContact CB-O 3.24Å; C570-K575 PolarHBondContact N-O 3.07Å; C573-K575 PolarHBondContact O-N 3.41Å; K575-Y577 HydrophobicContact CB-CE2 3.97Å; K575-Y577 WeakPolarHBondContact O-CD2 3.23Å; K575-Y577 VanDerWaalsContact O-CE2 3.28Å; K575-Y577 WeakPolarHBondContact O-CE2 3.27Å
576	S	79.4	Confident	80.4	Confident	41 Å²	41	76.9 Å²	76.9	29%	0.287	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.7	-173.3	-53.9	0	0	0	0	113.6	K566 F568 G574	K566-S576 WeakPolarHBondContact CD-O 3.28Å; K566-S576 WeakPolarHBondContact O-CB 3.27Å; F568-S576 WeakPolarHBondContact O-CA 3.39Å; G574-S576 PolarHBondContact O-N 3.22Å; G574-S576 PolarHBondContact O-OG 2.94Å
577	Y	83.2	Confident	80.4	Confident	58 Å²	58	73.8 Å²	73.8	23%	0.227	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150.3	-174.3	-61.8	-89.7	0	0	0	112.4	K566 F568 K575 Q579 H582 L583 H586	K566-Y577 CarbonylContact C-O 3.59Å; K566-Y577 VanDerWaalsContact CA-O 3.26Å; K566-Y577 WeakPolarHBondContact CA-O 3.29Å; F568-Y577 WeakPolarHBondContact CD2-O 3.49Å; F568-Y577 PolarHBondContact N-O 2.85Å; F568-Y577 PolarHBondContact O-N 3.33Å; K575-Y577 HydrophobicContact CB-CE2 3.97Å; K575-Y577 WeakPolarHBondContact O-CD2 3.23Å; K575-Y577 VanDerWaalsContact O-CE2 3.28Å; K575-Y577 WeakPolarHBondContact O-CE2 3.27Å; Y577-Q579 VanDerWaalsContact C-N 3.33Å; Y577-H582 HydrophobicContact CD1-CB 3.64Å; Y577-H582 HydrophobicContact CG-CB 4.07Å; Y577-L583 HydrophobicContact CD2-CB 4.17Å; Y577-L583 HydrophobicContact CD2-CD1 3.84Å; Y577-L583 HydrophobicContact CE2-CD1 4.21Å; Y577-H586 HydrophobicContact CE1-CB 4.44Å; Y577-H586 HydrophobicContact CE2-CB 3.91Å; Y577-H586 AromaticContact CE2-CD2 3.37Å; Y577-H586 WeakPolarHBondContact CE2-CD2 3.36Å; Y577-H586 AromaticContact CE2-CG 3.79Å; Y577-H586 AromaticContact CZ-CD2 3.64Å; Y577-H586 AromaticContact CZ-CG 3.66Å; Y577-H586 PolarHBondContact OH-CD2 2.77Å; Y577-H586 VanDerWaalsContact OH-CD2 3.25Å
578	N	74.4	Confident	80.8	Confident	43 Å²	43	73.2 Å²	73.2	23%	0.23	35%	0.348	C	S	.	.	S	Bend	trans	-78.5	-13.8	177.6	58.6	0.8	0	0	0	114.1	R560 H582	R560-N578 HydrophobicContact CB-CB 4.47Å; R560-N578 PolarHBondContact NH1-O 3.37Å; N578-H582 PolarHBondContact OD1-ND1 3.36Å
579	Q	78.5	Confident	80.6	Confident	51 Å²	51	74 Å²	74	24%	0.238	36%	0.357	C	S	.	.	S	Bend	trans	-140.3	138.4	-179.4	-55.2	-176.7	29.2	0	0	111.5	Q557 Y577 V581 H582 L583	Q557-Q579 HydrophobicContact CG-CG 4.25Å; Q557-Q579 VanDerWaalsContact NE2-CD 3.27Å; Y577-Q579 VanDerWaalsContact C-N 3.33Å; Q579-V581 PolarHBondContact O-N 3.2Å; Q579-H582 PolarHBondContact O-N 3.36Å; Q579-H582 VanDerWaalsContact O-N 3.1Å; Q579-L583 PolarHBondContact O-N 3.47Å
580	R	79.7	Confident	80.5	Confident	174 Å²	174	70 Å²	70	66%	0.657	35%	0.345	S	S	*	.	H	α-helix	trans	-56.5	-35.9	177.4	-172.7	177.1	-75.7	-166.1	-4.5	112.9	F568 H582 L583 T584	F568-R580 HydrophobicContact CD1-CB 3.85Å; F568-R580 HydrophobicContact CD1-CG 4.35Å; F568-R580 VanDerWaalsContact CD2-N 3.28Å; F568-R580 HydrophobicContact CE1-CB 3.79Å; F568-R580 HydrophobicContact CE1-CG 4.47Å; F568-R580 HydrophobicContact CE2-CB 4.48Å; F568-R580 HydrophobicContact CG-CB 4.24Å; F568-R580 HydrophobicContact CZ-CB 4.11Å; R580-H582 VanDerWaalsContact C-N 3.29Å; R580-H582 PolarHBondContact O-N 3.08Å; R580-L583 WeakPolarHBondContact O-CB 3.48Å; R580-L583 PolarHBondContact O-N 3.24Å; R580-L583 VanDerWaalsContact O-N 3.11Å; R580-T584 PolarHBondContact O-N 2.85Å; R580-T584 PolarHBondContact O-OG1 2.82Å
581	V	76.9	Confident	80.1	Confident	101 Å²	101	73.7 Å²	73.7	61%	0.612	37%	0.367	S	S	*	.	H	α-helix	trans	-60.9	-38.2	178.7	-177	0	0	0	0	111.8	Q579 Q585	Q579-V581 PolarHBondContact O-N 3.2Å; V581-Q585 VanDerWaalsContact O-CB 3.29Å; V581-Q585 WeakPolarHBondContact O-CB 3.49Å; V581-Q585 PolarHBondContact O-N 3.1Å
582	H	79.9	Confident	79.9	Confident	70 Å²	70	66.6 Å²	66.6	32%	0.324	34%	0.344	S	S	.	.	H	α-helix	trans	-70	-35.3	176.2	-59.6	150.4	0	0	0	111.8	Y577 N578 Q579 R580 H586	Y577-H582 HydrophobicContact CD1-CB 3.64Å; Y577-H582 HydrophobicContact CG-CB 4.07Å; N578-H582 PolarHBondContact OD1-ND1 3.36Å; Q579-H582 PolarHBondContact O-N 3.36Å; Q579-H582 VanDerWaalsContact O-N 3.1Å; R580-H582 VanDerWaalsContact C-N 3.29Å; R580-H582 PolarHBondContact O-N 3.08Å; H582-H586 WeakPolarHBondContact O-CB 3.05Å; H582-H586 PolarHBondContact O-N 2.83Å
583	L	83.1	Confident	79.6	Confident	21 Å²	21	65.4 Å²	65.4	11%	0.11	34%	0.338	C	S	.	.	H	α-helix	trans	-65.3	-50.5	172.7	-179.5	65.2	0	0	0	111.5	F568 R569 C570 Y577 Q579 R580 Q585 H586 H587	F568-L583 HydrophobicContact CB-CB 4.03Å; F568-L583 HydrophobicContact CB-CD2 3.84Å; R569-L583 WeakPolarHBondContact O-CD2 3.5Å; C570-L583 HydrophobicContact CB-CD1 3.62Å; Y577-L583 HydrophobicContact CD2-CB 4.17Å; Y577-L583 HydrophobicContact CD2-CD1 3.84Å; Y577-L583 HydrophobicContact CE2-CD1 4.21Å; Q579-L583 PolarHBondContact O-N 3.47Å; R580-L583 WeakPolarHBondContact O-CB 3.48Å; R580-L583 PolarHBondContact O-N 3.24Å; R580-L583 VanDerWaalsContact O-N 3.11Å; L583-Q585 VanDerWaalsContact C-N 3.26Å; L583-Q585 PolarHBondContact O-N 3.4Å; L583-H586 CarbonylContact O-C 3.58Å; L583-H586 WeakPolarHBondContact O-CA 3.37Å; L583-H586 WeakPolarHBondContact O-CB 3.03Å; L583-H586 PolarHBondContact O-N 3.47Å; L583-H587 VanDerWaalsContact CD1-NE2 3.32Å; L583-H587 WeakPolarHBondContact CD1-NE2 3.38Å; L583-H587 WeakPolarHBondContact CG-NE2 3.38Å; L583-H587 PolarHBondContact O-CD2 3.36Å; L583-H587 PolarHBondContact O-N 3.11Å
584	T	80.6	Confident	79.7	Confident	81 Å²	81	68.9 Å²	68.9	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-61.4	-33.9	176.9	-51.4	0	0	0	0	112.4	R580 H586	R580-T584 PolarHBondContact O-N 2.85Å; R580-T584 PolarHBondContact O-OG1 2.82Å; T584-H586 VanDerWaalsContact C-N 3.33Å
585	Q	79.9	Confident	79.5	Confident	76 Å²	76	71.1 Å²	71.1	36%	0.355	36%	0.36	S	S	.	.	H	α-helix	trans	-68.2	-32.5	170.7	-176.7	-176.8	-49.9	0	0	112.3	V581 L583 V607	V581-Q585 VanDerWaalsContact O-CB 3.29Å; V581-Q585 WeakPolarHBondContact O-CB 3.49Å; V581-Q585 PolarHBondContact O-N 3.1Å; L583-Q585 VanDerWaalsContact C-N 3.26Å; L583-Q585 PolarHBondContact O-N 3.4Å; Q585-V607 HydrophobicContact CG-CG2 3.94Å
586	H	81.8	Confident	79.7	Confident	15 Å²	15	68.5 Å²	68.5	7%	0.069	35%	0.347	C	S	.	.	H	α-helix	trans	-75.1	-34.9	177.8	176.4	40.2	0	0	0	113.2	C573 Y577 H582 L583 T584 R588 V589 H590	C573-H586 PolarHBondContact SG-NE2 2.87Å; Y577-H586 HydrophobicContact CE1-CB 4.44Å; Y577-H586 HydrophobicContact CE2-CB 3.91Å; Y577-H586 AromaticContact CE2-CD2 3.37Å; Y577-H586 WeakPolarHBondContact CE2-CD2 3.36Å; Y577-H586 AromaticContact CE2-CG 3.79Å; Y577-H586 AromaticContact CZ-CD2 3.64Å; Y577-H586 AromaticContact CZ-CG 3.66Å; Y577-H586 PolarHBondContact OH-CD2 2.77Å; Y577-H586 VanDerWaalsContact OH-CD2 3.25Å; H582-H586 WeakPolarHBondContact O-CB 3.05Å; H582-H586 PolarHBondContact O-N 2.83Å; L583-H586 CarbonylContact O-C 3.58Å; L583-H586 WeakPolarHBondContact O-CA 3.37Å; L583-H586 WeakPolarHBondContact O-CB 3.03Å; L583-H586 PolarHBondContact O-N 3.47Å; T584-H586 VanDerWaalsContact C-N 3.33Å; H586-R588 PolarHBondContact O-N 2.91Å; H586-R588 VanDerWaalsContact O-N 3.1Å; H586-V589 WeakPolarHBondContact ND1-CG2 3.18Å; H586-V589 WeakPolarHBondContact O-CA 3.41Å; H586-V589 WeakPolarHBondContact O-CB 3.34Å; H586-V589 VanDerWaalsContact O-CG2 3.25Å; H586-V589 WeakPolarHBondContact O-CG2 3.3Å; H586-V589 PolarHBondContact O-N 3.14Å; H586-H590 AromaticContact CD2-NE2 3.59Å; H586-H590 AromaticContact CE1-NE2 3.25Å; H586-H590 PolarHBondContact CE1-NE2 3.06Å; H586-H590 VanDerWaalsContact CE1-NE2 3.25Å; H586-H590 AromaticContact NE2-NE2 2.78Å; H586-H590 PolarHBondContact NE2-NE2 3.25Å
587	H	78.6	Confident	79.2	Confident	66 Å²	66	71 Å²	71	31%	0.306	36%	0.36	S	S	.	.	H	α-helix	trans	-57.1	-29.4	177.6	-75.2	-141.3	0	0	0	112.2	E572 L583 V589 H590 T591	E572-H587 IonicContact OE2-ND1 3.64Å; L583-H587 VanDerWaalsContact CD1-NE2 3.32Å; L583-H587 WeakPolarHBondContact CD1-NE2 3.38Å; L583-H587 WeakPolarHBondContact CG-NE2 3.38Å; L583-H587 PolarHBondContact O-CD2 3.36Å; L583-H587 PolarHBondContact O-N 3.11Å; H587-V589 PolarHBondContact O-N 3.45Å; H587-H590 PolarHBondContact O-N 3.04Å; H587-T591 PolarHBondContact O-N 3.3Å
588	R	83.7	Confident	79	Confident	54 Å²	54	68.2 Å²	68.2	20%	0.204	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-10.3	170.7	-60.3	-169.2	179.9	130.3	10.7	115.2	H586 E593 R606	H586-R588 PolarHBondContact O-N 2.91Å; H586-R588 VanDerWaalsContact O-N 3.1Å; R588-E593 HydrophobicContact CB-CB 4.14Å; R588-E593 HydrophobicContact CG-CB 3.94Å; R588-E593 IonicContact NE-OE2 3.22Å; R588-E593 PolarHBondContact NE-OE2 3.39Å; R588-R606 HydrophobicContact CB-CB 4.46Å; R588-R606 PolarHBondContact NH1-O 3.21Å; R588-R606 VanDerWaalsContact NH1-O 3.17Å; R588-R606 WeakPolarHBondContact O-CD 3.13Å; R588-R606 VanDerWaalsContact O-CZ 3.27Å; R588-R606 PolarHBondContact O-NE 3.3Å; R588-R606 PolarHBondContact O-NH2 2.92Å
589	V	79.5	Confident	79.1	Confident	64 Å²	64	73.3 Å²	73.3	39%	0.388	37%	0.371	S	S	.	.	H	α-helix	trans	-69	-42.4	168.1	178.9	0	0	0	0	109.9	H586 H587 R606	H586-V589 WeakPolarHBondContact ND1-CG2 3.18Å; H586-V589 WeakPolarHBondContact O-CA 3.41Å; H586-V589 WeakPolarHBondContact O-CB 3.34Å; H586-V589 VanDerWaalsContact O-CG2 3.25Å; H586-V589 WeakPolarHBondContact O-CG2 3.3Å; H586-V589 PolarHBondContact O-N 3.14Å; H587-V589 PolarHBondContact O-N 3.45Å; V589-R606 PolarHBondContact O-NH2 3.47Å
590	H	79.6	Confident	78.8	Confident	76 Å²	76	75.8 Å²	75.8	35%	0.352	39%	0.386	S	S	.	.	H	α-helix	trans	-84.1	-49.8	-178.1	-51.3	-50.9	0	0	0	111.4	C570 E572 C573 H586 H587 G592	C570-H590 PolarHBondContact SG-NE2 2.98Å; E572-H590 IonicContact OE2-CD2 3.24Å; E572-H590 PolarHBondContact OE2-CD2 3.23Å; E572-H590 IonicContact OE2-CG 3.73Å; C573-H590 WeakPolarHBondContact CB-CE1 3.25Å; C573-H590 WeakPolarHBondContact CB-NE2 3.08Å; C573-H590 PolarHBondContact SG-CE1 3.26Å; C573-H590 PolarHBondContact SG-NE2 3.27Å; H586-H590 AromaticContact CD2-NE2 3.59Å; H586-H590 AromaticContact CE1-NE2 3.25Å; H586-H590 PolarHBondContact CE1-NE2 3.06Å; H586-H590 VanDerWaalsContact CE1-NE2 3.25Å; H586-H590 AromaticContact NE2-NE2 2.78Å; H586-H590 PolarHBondContact NE2-NE2 3.25Å; H587-H590 PolarHBondContact O-N 3.04Å; H590-G592 PolarHBondContact O-N 3.31Å
591	T	77.4	Confident	78.6	Confident	76 Å²	76	70 Å²	70	47%	0.466	37%	0.371	S	S	.	.	S	Bend	trans	-69.4	-0	177.6	71.9	0	0	0	0	114.5	H587 E593	H587-T591 PolarHBondContact O-N 3.3Å; T591-E593 PolarHBondContact O-N 2.99Å; T591-E593 VanDerWaalsContact OG1-CD 3.32Å; T591-E593 WeakPolarHBondContact OG1-CG 3.42Å; T591-E593 PolarHBondContact OG1-OE1 3.34Å
592	G	77.3	Confident	78.4	Confident	34 Å²	34	67.9 Å²	67.9	35%	0.351	37%	0.37	S	S	.	.			trans	70.7	-23.1	-179.6	0	0	0	0	0	115.8	H590	H590-G592 PolarHBondContact O-N 3.31Å
593	E	77.6	Confident	78.1	Confident	92 Å²	92	70 Å²	70	43%	0.43	38%	0.378	S	S	.	.			trans	-40.1	127.1	-172	-83.6	172.3	-118.7	0	0	115.3	R588 T591 P595 R606	R588-E593 HydrophobicContact CB-CB 4.14Å; R588-E593 HydrophobicContact CG-CB 3.94Å; R588-E593 IonicContact NE-OE2 3.22Å; R588-E593 PolarHBondContact NE-OE2 3.39Å; T591-E593 PolarHBondContact O-N 2.99Å; T591-E593 VanDerWaalsContact OG1-CD 3.32Å; T591-E593 WeakPolarHBondContact OG1-CG 3.42Å; T591-E593 PolarHBondContact OG1-OE1 3.34Å; E593-P595 HydrophobicContact CB-CG 4.3Å; E593-R606 WeakPolarHBondContact O-CG 3.4Å
594	K	81.9	Confident	78	Confident	115 Å²	115	70.9 Å²	70.9	50%	0.5	39%	0.389	S	S	.	.			trans	-126	69.3	173.1	-67.9	158.9	-169	166.8	0	111.2	Y596 A604 F605 R606	K594-Y596 PolarHBondContact O-N 3.4Å; K594-A604 HydrophobicContact CB-CB 3.53Å; K594-A604 HydrophobicContact CD-CB 4.16Å; K594-A604 HydrophobicContact CG-CB 4.38Å; K594-F605 CarbonylContact C-O 3.54Å; K594-F605 VanDerWaalsContact C-O 3.24Å; K594-F605 WeakPolarHBondContact CA-O 3.47Å; K594-R606 HydrophobicContact CG-CG 3.99Å
595	P	77.1	Confident	78	Confident	66 Å²	66	69.1 Å²	69.1	43%	0.429	37%	0.374	S	S	.	.			trans	-69.5	1.6	-168.2	-19.1	34.1	0	0	0	115.7	E593	E593-P595 HydrophobicContact CB-CG 4.3Å
596	Y	83.6	Confident	78	Confident	65 Å²	65	69.6 Å²	69.6	26%	0.255	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	86.6	-175.7	-55.4	-71	0	0	0	110	K594 F605 R608	K594-Y596 PolarHBondContact O-N 3.4Å; Y596-F605 WeakPolarHBondContact CD2-O 3.33Å; Y596-F605 PolarHBondContact N-O 3.23Å; Y596-F605 PolarHBondContact O-N 3.14Å; Y596-R608 HydrophobicContact CD1-CB 3.82Å; Y596-R608 HydrophobicContact CD1-CG 4.17Å; Y596-R608 HydrophobicContact CD2-CB 4.3Å; Y596-R608 HydrophobicContact CE1-CB 3.73Å; Y596-R608 HydrophobicContact CE1-CG 4.25Å; Y596-R608 HydrophobicContact CE2-CB 4.19Å; Y596-R608 HydrophobicContact CG-CB 4.1Å
597	T	68.4	Low	77.8	Confident	92 Å²	92	69.7 Å²	69.7	56%	0.564	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	147	177.1	48.2	0	0	0	0	112.4	A604 L611	T597-A604 HydrophobicContact CG2-CB 3.91Å; T597-L611 WeakPolarHBondContact O-CD2 3.33Å
598	C	80.3	Confident	77.8	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.389	C	S	.	.			trans	-96.8	110.8	173	-167.1	0	0	0	0	110.5	L600 C601 G602 K603 F605 L611	C598-L600 PolarHBondContact O-N 2.92Å; C598-L600 VanDerWaalsContact O-N 3.1Å; C598-C601 PolarHBondContact O-N 3.01Å; C598-C601 VanDerWaalsContact O-N 3.16Å; C598-G602 WeakPolarHBondContact O-CA 3.44Å; C598-G602 PolarHBondContact O-N 3.3Å; C598-K603 WeakPolarHBondContact CB-O 3.44Å; C598-K603 PolarHBondContact N-O 3.28Å; C598-F605 HydrophobicContact CB-CE2 4.48Å; C598-L611 HydrophobicContact CB-CD1 3.53Å
599	H	75.1	Confident	77.4	Confident	150 Å²	150	75 Å²	75	69%	0.694	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.7	-179.7	57.8	-96.7	0	0	0	114.1
600	L	73.6	Confident	77.3	Confident	104 Å²	104	76.2 Å²	76.2	55%	0.545	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-8.9	179.8	-58.6	176.4	0	0	0	114.5	C598 H618	C598-L600 PolarHBondContact O-N 2.92Å; C598-L600 VanDerWaalsContact O-N 3.1Å; L600-H618 HydrophobicContact CB-CB 4.47Å; L600-H618 HydrophobicContact CD1-CB 3.49Å; L600-H618 VanDerWaalsContact CD1-CB 3.49Å
601	C	74.4	Confident	77.2	Confident	51 Å²	51	73.2 Å²	73.2	35%	0.345	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.8	12.2	-177.1	67.6	0	0	0	0	116	C598 K603 H614 H618	C598-C601 PolarHBondContact O-N 3.01Å; C598-C601 VanDerWaalsContact O-N 3.16Å; C601-K603 PolarHBondContact O-N 3.03Å; C601-H614 PolarHBondContact SG-NE2 2.97Å; C601-H618 VanDerWaalsContact SG-CE1 3.59Å; C601-H618 PolarHBondContact SG-NE2 3.18Å
602	G	72.8	Confident	77	Confident	57 Å²	57	73.2 Å²	73.2	59%	0.588	39%	0.39	S	S	*	.			trans	69.5	-19.6	-176.9	0	0	0	0	0	116.2	C598 A604	C598-G602 WeakPolarHBondContact O-CA 3.44Å; C598-G602 PolarHBondContact O-N 3.3Å; G602-A604 PolarHBondContact O-N 3.23Å
603	K	74.8	Confident	76.6	Confident	115 Å²	115	75.3 Å²	75.3	50%	0.5	39%	0.391	S	S	.	.			trans	-59	124.9	-170.7	-66.3	-172.1	178.5	-170.4	0	112.4	C598 C601 F605	C598-K603 WeakPolarHBondContact CB-O 3.44Å; C598-K603 PolarHBondContact N-O 3.28Å; C601-K603 PolarHBondContact O-N 3.03Å; K603-F605 HydrophobicContact CB-CE2 3.94Å; K603-F605 HydrophobicContact CB-CZ 4.14Å; K603-F605 WeakPolarHBondContact O-CD2 3.28Å; K603-F605 VanDerWaalsContact O-CE2 3.25Å; K603-F605 WeakPolarHBondContact O-CE2 3.47Å
604	A	79.4	Confident	76.4	Confident	39 Å²	39	72.2 Å²	72.2	32%	0.322	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.9	-173.4	0	0	0	0	0	112.2	K594 T597 G602	K594-A604 HydrophobicContact CB-CB 3.53Å; K594-A604 HydrophobicContact CD-CB 4.16Å; K594-A604 HydrophobicContact CG-CB 4.38Å; T597-A604 HydrophobicContact CG2-CB 3.91Å; G602-A604 PolarHBondContact O-N 3.23Å
605	F	81.4	Confident	75.8	Confident	45 Å²	45	69.3 Å²	69.3	20%	0.197	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.9	-174.7	-61.3	-89.6	0	0	0	112.2	K594 Y596 C598 K603 V607 H610 L611 H614	K594-F605 CarbonylContact C-O 3.54Å; K594-F605 VanDerWaalsContact C-O 3.24Å; K594-F605 WeakPolarHBondContact CA-O 3.47Å; Y596-F605 WeakPolarHBondContact CD2-O 3.33Å; Y596-F605 PolarHBondContact N-O 3.23Å; Y596-F605 PolarHBondContact O-N 3.14Å; C598-F605 HydrophobicContact CB-CE2 4.48Å; K603-F605 HydrophobicContact CB-CE2 3.94Å; K603-F605 HydrophobicContact CB-CZ 4.14Å; K603-F605 WeakPolarHBondContact O-CD2 3.28Å; K603-F605 VanDerWaalsContact O-CE2 3.25Å; K603-F605 WeakPolarHBondContact O-CE2 3.47Å; F605-V607 PolarHBondContact O-N 2.88Å; F605-H610 HydrophobicContact CB-CB 4.28Å; F605-H610 HydrophobicContact CD1-CB 3.84Å; F605-H610 HydrophobicContact CG-CB 4.31Å; F605-L611 HydrophobicContact CB-CB 4.35Å; F605-L611 HydrophobicContact CD2-CB 3.98Å; F605-L611 HydrophobicContact CD2-CD1 3.98Å; F605-L611 HydrophobicContact CE2-CD1 4.21Å; F605-L611 HydrophobicContact CG-CB 4.34Å; F605-H614 HydrophobicContact CE1-CB 4.11Å; F605-H614 HydrophobicContact CE2-CB 3.89Å; F605-H614 AromaticContact CE2-CD2 3.41Å; F605-H614 VanDerWaalsContact CE2-CD2 3.41Å; F605-H614 WeakPolarHBondContact CE2-CD2 3.45Å; F605-H614 AromaticContact CE2-CG 3.75Å; F605-H614 HydrophobicContact CZ-CB 3.51Å; F605-H614 AromaticContact CZ-CD2 3.43Å; F605-H614 VanDerWaalsContact CZ-CD2 3.43Å; F605-H614 WeakPolarHBondContact CZ-CD2 3.14Å; F605-H614 AromaticContact CZ-CG 3.34Å
606	R	79	Confident	75.3	Confident	86 Å²	86	68 Å²	68	33%	0.325	36%	0.357	S	S	.	.	S	Bend	trans	-67.3	-18.2	174.9	-58.3	-173.9	154.3	148.8	-11.4	113.5	R588 V589 E593 K594	R588-R606 HydrophobicContact CB-CB 4.46Å; R588-R606 PolarHBondContact NH1-O 3.21Å; R588-R606 VanDerWaalsContact NH1-O 3.17Å; R588-R606 WeakPolarHBondContact O-CD 3.13Å; R588-R606 VanDerWaalsContact O-CZ 3.27Å; R588-R606 PolarHBondContact O-NE 3.3Å; R588-R606 PolarHBondContact O-NH2 2.92Å; V589-R606 PolarHBondContact O-NH2 3.47Å; E593-R606 WeakPolarHBondContact O-CG 3.4Å; K594-R606 HydrophobicContact CG-CG 3.99Å
607	V	78.3	Confident	74.5	Confident	17 Å²	17	69.2 Å²	69.2	10%	0.103	37%	0.371	C	S	.	.	S	Bend	trans	-141	133.6	-170.5	-156.9	0	0	0	0	111.3	Q585 F605 S609 H610 L611	Q585-V607 HydrophobicContact CG-CG2 3.94Å; F605-V607 PolarHBondContact O-N 2.88Å; V607-S609 VanDerWaalsContact C-N 3.28Å; V607-S609 VanDerWaalsContact CG1-OG 3.28Å; V607-S609 WeakPolarHBondContact CG1-OG 3.27Å; V607-S609 PolarHBondContact O-N 2.81Å; V607-H610 PolarHBondContact O-N 3.45Å; V607-H610 VanDerWaalsContact O-N 3.08Å; V607-L611 PolarHBondContact O-N 2.79Å
608	R	78.3	Confident	74.4	Confident	161 Å²	161	67.8 Å²	67.8	61%	0.608	36%	0.357	S	S	*	.	H	α-helix	trans	-59.4	-36.3	-179.9	-172.6	177.8	174.2	86.9	3.3	113.1	Y596 H610 L611 V612	Y596-R608 HydrophobicContact CD1-CB 3.82Å; Y596-R608 HydrophobicContact CD1-CG 4.17Å; Y596-R608 HydrophobicContact CD2-CB 4.3Å; Y596-R608 HydrophobicContact CE1-CB 3.73Å; Y596-R608 HydrophobicContact CE1-CG 4.25Å; Y596-R608 HydrophobicContact CE2-CB 4.19Å; Y596-R608 HydrophobicContact CG-CB 4.1Å; R608-H610 VanDerWaalsContact C-N 3.28Å; R608-H610 PolarHBondContact O-N 3.02Å; R608-L611 PolarHBondContact O-N 3.46Å; R608-V612 HydrophobicContact CG-CG2 4.49Å; R608-V612 WeakPolarHBondContact O-CG2 3.47Å; R608-V612 PolarHBondContact O-N 2.99Å
609	S	75.5	Confident	73.3	Confident	69 Å²	69	71.2 Å²	71.2	48%	0.483	38%	0.381	S	S	.	.	H	α-helix	trans	-59.9	-38.5	176.4	52.9	0	0	0	0	112	V607 V612 Q613	V607-S609 VanDerWaalsContact C-N 3.28Å; V607-S609 VanDerWaalsContact CG1-OG 3.28Å; V607-S609 WeakPolarHBondContact CG1-OG 3.27Å; V607-S609 PolarHBondContact O-N 2.81Å; S609-V612 PolarHBondContact O-N 3.38Å; S609-Q613 WeakPolarHBondContact O-CB 3.49Å; S609-Q613 PolarHBondContact O-N 3.14Å
610	H	78	Confident	72.3	Confident	90 Å²	90	74.6 Å²	74.6	42%	0.417	39%	0.388	S	S	.	.	H	α-helix	trans	-72.3	-35.6	178.6	-61.6	178.4	0	0	0	111.8	F605 V607 R608 Q613 H614	F605-H610 HydrophobicContact CB-CB 4.28Å; F605-H610 HydrophobicContact CD1-CB 3.84Å; F605-H610 HydrophobicContact CG-CB 4.31Å; V607-H610 PolarHBondContact O-N 3.45Å; V607-H610 VanDerWaalsContact O-N 3.08Å; R608-H610 VanDerWaalsContact C-N 3.28Å; R608-H610 PolarHBondContact O-N 3.02Å; H610-Q613 CarbonylContact O-C 3.55Å; H610-Q613 PolarHBondContact O-N 3.09Å; H610-H614 VanDerWaalsContact O-CB 3.29Å; H610-H614 WeakPolarHBondContact O-CB 3.21Å; H610-H614 PolarHBondContact O-N 3.39Å
611	L	77.8	Confident	71.4	Confident	13 Å²	13	76.1 Å²	76.1	7%	0.068	39%	0.392	C	S	.	.	H	α-helix	trans	-61	-50.9	170.2	171.8	61.3	0	0	0	111.3	T597 C598 F605 V607 R608 Q613 H614 Q615	T597-L611 WeakPolarHBondContact O-CD2 3.33Å; C598-L611 HydrophobicContact CB-CD1 3.53Å; F605-L611 HydrophobicContact CB-CB 4.35Å; F605-L611 HydrophobicContact CD2-CB 3.98Å; F605-L611 HydrophobicContact CD2-CD1 3.98Å; F605-L611 HydrophobicContact CE2-CD1 4.21Å; F605-L611 HydrophobicContact CG-CB 4.34Å; V607-L611 PolarHBondContact O-N 2.79Å; R608-L611 PolarHBondContact O-N 3.46Å; L611-Q613 VanDerWaalsContact C-N 3.28Å; L611-Q613 PolarHBondContact O-N 3.32Å; L611-H614 CarbonylContact O-C 3.24Å; L611-H614 WeakPolarHBondContact O-CA 3.48Å; L611-H614 WeakPolarHBondContact O-CB 3.36Å; L611-H614 PolarHBondContact O-N 3.04Å; L611-Q615 HydrophobicContact CD1-CG 4.07Å; L611-Q615 HydrophobicContact CG-CG 4.43Å; L611-Q615 WeakPolarHBondContact O-CG 3.36Å; L611-Q615 PolarHBondContact O-N 3.07Å
612	V	72.6	Confident	70.8	Confident	77 Å²	77	81.2 Å²	81.2	47%	0.467	40%	0.404	S	S	.	.	H	α-helix	trans	-61.9	-38.1	179	175.2	0	0	0	0	111.3	R608 S609 H614 Q615	R608-V612 HydrophobicContact CG-CG2 4.49Å; R608-V612 WeakPolarHBondContact O-CG2 3.47Å; R608-V612 PolarHBondContact O-N 2.99Å; S609-V612 PolarHBondContact O-N 3.38Å; V612-H614 PolarHBondContact O-N 3.26Å; V612-Q615 PolarHBondContact O-N 3.29Å
613	Q	68.9	Low	70.2	Confident	78 Å²	78	82.6 Å²	82.6	36%	0.364	40%	0.403	S	S	.	.	H	α-helix	trans	-75	-4.9	174.7	-157.9	-156.6	54.1	0	0	114	S609 H610 L611 R635	S609-Q613 WeakPolarHBondContact O-CB 3.49Å; S609-Q613 PolarHBondContact O-N 3.14Å; H610-Q613 CarbonylContact O-C 3.55Å; H610-Q613 PolarHBondContact O-N 3.09Å; L611-Q613 VanDerWaalsContact C-N 3.28Å; L611-Q613 PolarHBondContact O-N 3.32Å; Q613-R635 HydrophobicContact CG-CG 4.34Å; Q613-R635 PolarHBondContact O-NH2 3.4Å
614	H	74.2	Confident	70	Confident	27 Å²	27	80.6 Å²	80.6	13%	0.125	39%	0.394	C	S	.	.	H	α-helix	trans	-101.9	-33	170.3	175.7	58.1	0	0	0	111.8	C601 F605 H610 L611 V612 S616 V617 H618	C601-H614 PolarHBondContact SG-NE2 2.97Å; F605-H614 HydrophobicContact CE1-CB 4.11Å; F605-H614 HydrophobicContact CE2-CB 3.89Å; F605-H614 AromaticContact CE2-CD2 3.41Å; F605-H614 VanDerWaalsContact CE2-CD2 3.41Å; F605-H614 WeakPolarHBondContact CE2-CD2 3.45Å; F605-H614 AromaticContact CE2-CG 3.75Å; F605-H614 HydrophobicContact CZ-CB 3.51Å; F605-H614 AromaticContact CZ-CD2 3.43Å; F605-H614 VanDerWaalsContact CZ-CD2 3.43Å; F605-H614 WeakPolarHBondContact CZ-CD2 3.14Å; F605-H614 AromaticContact CZ-CG 3.34Å; H610-H614 VanDerWaalsContact O-CB 3.29Å; H610-H614 WeakPolarHBondContact O-CB 3.21Å; H610-H614 PolarHBondContact O-N 3.39Å; L611-H614 CarbonylContact O-C 3.24Å; L611-H614 WeakPolarHBondContact O-CA 3.48Å; L611-H614 WeakPolarHBondContact O-CB 3.36Å; L611-H614 PolarHBondContact O-N 3.04Å; V612-H614 PolarHBondContact O-N 3.26Å; H614-S616 PolarHBondContact O-N 3.34Å; H614-V617 WeakPolarHBondContact O-CB 3.34Å; H614-V617 WeakPolarHBondContact O-CG2 3.46Å; H614-V617 PolarHBondContact O-N 3.06Å; H614-H618 AromaticContact CD2-NE2 3.89Å; H614-H618 AromaticContact CE1-NE2 3.73Å; H614-H618 AromaticContact NE2-CE1 3.99Å; H614-H618 AromaticContact NE2-NE2 3.19Å; H614-H618 PolarHBondContact NE2-NE2 3.26Å; H614-H618 VanDerWaalsContact NE2-NE2 3.19Å
615	Q	68.3	Low	69.2	Low	54 Å²	54	85.7 Å²	85.7	25%	0.252	41%	0.409	S	S	.	.	H	α-helix	trans	-58.2	-34.4	176.4	-74.4	173.2	-56.2	0	0	112.1	L611 V612 V617 H618 S619	L611-Q615 HydrophobicContact CD1-CG 4.07Å; L611-Q615 HydrophobicContact CG-CG 4.43Å; L611-Q615 WeakPolarHBondContact O-CG 3.36Å; L611-Q615 PolarHBondContact O-N 3.07Å; V612-Q615 PolarHBondContact O-N 3.29Å; Q615-V617 PolarHBondContact O-N 2.91Å; Q615-V617 VanDerWaalsContact O-N 3.11Å; Q615-H618 PolarHBondContact O-N 2.86Å; Q615-S619 PolarHBondContact O-N 3.28Å; Q615-S619 PolarHBondContact O-OG 2.96Å
616	S	67.3	Low	68.5	Low	39 Å²	39	83.7 Å²	83.7	27%	0.273	40%	0.4	S	S	.	.	H	α-helix	trans	-67	-5.5	172.7	65.4	0	0	0	0	115.4	H614	H614-S616 PolarHBondContact O-N 3.34Å
617	V	65.5	Low	68	Low	90 Å²	90	87.2 Å²	87.2	55%	0.545	43%	0.426	S	S	.	.	H	α-helix	trans	-76.6	-34.4	167.2	-176.9	0	0	0	0	110.7	H614 Q615	H614-V617 WeakPolarHBondContact O-CB 3.34Å; H614-V617 WeakPolarHBondContact O-CG2 3.46Å; H614-V617 PolarHBondContact O-N 3.06Å; Q615-V617 PolarHBondContact O-N 2.91Å; Q615-V617 VanDerWaalsContact O-N 3.11Å
618	H	66.5	Low	67.1	Low	62 Å²	62	92.1 Å²	92.1	29%	0.287	45%	0.448	S	S	.	.	H	α-helix	trans	-79.6	-39.3	-178.7	-61.3	-59.2	0	0	0	112.4	L600 C601 H614 Q615 R620	L600-H618 HydrophobicContact CB-CB 4.47Å; L600-H618 HydrophobicContact CD1-CB 3.49Å; L600-H618 VanDerWaalsContact CD1-CB 3.49Å; C601-H618 VanDerWaalsContact SG-CE1 3.59Å; C601-H618 PolarHBondContact SG-NE2 3.18Å; H614-H618 AromaticContact CD2-NE2 3.89Å; H614-H618 AromaticContact CE1-NE2 3.73Å; H614-H618 AromaticContact NE2-CE1 3.99Å; H614-H618 AromaticContact NE2-NE2 3.19Å; H614-H618 PolarHBondContact NE2-NE2 3.26Å; H614-H618 VanDerWaalsContact NE2-NE2 3.19Å; Q615-H618 PolarHBondContact O-N 2.86Å; H618-R620 PolarHBondContact O-N 3.05Å
619	S	58.8	Low	66.2	Low	71 Å²	71	87 Å²	87	50%	0.497	44%	0.436	S	S	.	.	S	Bend	trans	-58.8	-16.6	179.2	-50.2	0	0	0	0	114.3	Q615 E621	Q615-S619 PolarHBondContact O-N 3.28Å; Q615-S619 PolarHBondContact O-OG 2.96Å; S619-E621 PolarHBondContact O-N 3.26Å
620	R	53.8	Low	65.1	Low	221 Å²	221	86.3 Å²	86.3	83%	0.834	44%	0.44	S	S	*	.			trans	56.4	-19.6	-169.7	-66.8	-170.3	176.4	-160.3	2.2	116.3	H618	H618-R620 PolarHBondContact O-N 3.05Å
621	E	53.2	Low	64.1	Low	136 Å²	136	87.9 Å²	87.9	64%	0.636	45%	0.446	S	S	*	.			trans	-47.8	139.6	170.7	-72.5	-179	-162.5	0	0	112.2	S619 P623	S619-E621 PolarHBondContact O-N 3.26Å; E621-P623 HydrophobicContact CB-CG 4.49Å
622	R	62.8	Low	63	Low	159 Å²	159	87.8 Å²	87.8	60%	0.6	45%	0.447	S	S	*	.			trans	-129.3	74.2	178.1	-76.9	165.6	170.2	-135.7	12.8	108.7	F624 G632 F633	R622-F624 PolarHBondContact O-N 2.93Å; R622-F624 VanDerWaalsContact O-N 3.15Å; R622-G632 VanDerWaalsContact CD-O 3.29Å; R622-G632 WeakPolarHBondContact CD-O 3.47Å; R622-G632 PolarHBondContact NH1-O 3.2Å; R622-F633 CarbonylContact C-O 3.57Å
623	P	60.9	Low	62.7	Low	85 Å²	85	86.2 Å²	86.2	55%	0.552	43%	0.434	S	S	*	.			trans	-63.5	-24.9	-169.5	-23	35.1	0	0	0	113.3	E621 K625	E621-P623 HydrophobicContact CB-CG 4.49Å; P623-K625 PolarHBondContact O-N 3.44Å
624	F	70.3	Confident	62.4	Low	74 Å²	74	83.8 Å²	83.8	33%	0.325	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	78.8	-178.7	-52.5	-74.3	0	0	0	109.6	R622 F633 R635 R636 L639	R622-F624 PolarHBondContact O-N 2.93Å; R622-F624 VanDerWaalsContact O-N 3.15Å; F624-F633 HydrophobicContact CB-CB 4.39Å; F624-F633 WeakPolarHBondContact CB-O 3.5Å; F624-F633 PolarHBondContact N-O 2.99Å; F624-F633 VanDerWaalsContact N-O 3.14Å; F624-F633 PolarHBondContact O-N 3.5Å; F624-R635 VanDerWaalsContact CD2-C 3.48Å; F624-R636 HydrophobicContact CD1-CB 3.76Å; F624-R636 HydrophobicContact CD1-CG 4.06Å; F624-R636 HydrophobicContact CD2-CB 4.49Å; F624-R636 HydrophobicContact CE1-CB 3.72Å; F624-R636 HydrophobicContact CE1-CG 4.19Å; F624-R636 HydrophobicContact CE2-CB 4.44Å; F624-R636 HydrophobicContact CG-CB 4.16Å; F624-R636 HydrophobicContact CZ-CB 4.07Å; F624-L639 HydrophobicContact CB-CB 3.95Å; F624-L639 HydrophobicContact CB-CD2 3.77Å; F624-L639 HydrophobicContact CB-CG 4.47Å
625	K	61.7	Low	62	Low	145 Å²	145	86 Å²	86	63%	0.63	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	146.4	172.7	-62.5	-177.9	-176.5	177.7	0	111.2	P623 L639	P623-K625 PolarHBondContact O-N 3.44Å; K625-L639 WeakPolarHBondContact O-CD2 3.22Å
626	C	67.9	Low	61.8	Low	3 Å²	3	92.5 Å²	92.5	2%	0.02	46%	0.46	C	S	.	.			trans	-85.7	127.8	166.2	175	0	0	0	0	110	E628 G630 K631 F633 L639 H642 H646	C626-E628 VanDerWaalsContact C-N 3.32Å; C626-E628 PolarHBondContact O-N 3.39Å; C626-E628 PolarHBondContact SG-N 2.99Å; C626-E628 VanDerWaalsContact SG-N 3.41Å; C626-G630 WeakPolarHBondContact O-CA 3.34Å; C626-G630 PolarHBondContact O-N 2.97Å; C626-K631 PolarHBondContact N-O 2.93Å; C626-F633 HydrophobicContact CB-CE2 4.49Å; C626-L639 HydrophobicContact CB-CD1 3.77Å; C626-H642 WeakPolarHBondContact CB-NE2 3.25Å; C626-H642 PolarHBondContact SG-NE2 3.21Å; C626-H646 PolarHBondContact SG-NE2 3Å
627	N	68.3	Low	61.7	Low	161 Å²	161	94.3 Å²	94.3	86%	0.861	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-28.4	179.7	-62.6	4.5	0	0	0	112.3
628	E	58.9	Low	61.7	Low	119 Å²	119	94.7 Å²	94.7	56%	0.556	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-20.6	-172.2	-62.8	167	-89.4	0	0	113.9	C626 L643 H646	C626-E628 VanDerWaalsContact C-N 3.32Å; C626-E628 PolarHBondContact O-N 3.39Å; C626-E628 PolarHBondContact SG-N 2.99Å; C626-E628 VanDerWaalsContact SG-N 3.41Å; E628-L643 WeakPolarHBondContact OE1-CD2 3.4Å; E628-H646 IonicContact OE1-CD2 3.71Å; E628-H646 PolarHBondContact OE1-CD2 3.28Å; E628-H646 VanDerWaalsContact OE1-CD2 3.24Å; E628-H646 IonicContact OE1-CG 3.28Å; E628-H646 WeakPolarHBondContact OE2-CB 3.41Å; E628-H646 IonicContact OE2-CD2 3.65Å; E628-H646 IonicContact OE2-CG 3.99Å
629	C	59.6	Low	61.6	Low	53 Å²	53	92.8 Å²	92.8	36%	0.358	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.4	16.8	176.9	74.9	0	0	0	0	115	K631 H642	C629-K631 PolarHBondContact O-N 2.88Å; C629-H642 PolarHBondContact SG-CE1 3.29Å; C629-H642 PolarHBondContact SG-NE2 3.25Å
630	G	52.9	Low	61.8	Low	55 Å²	55	91.6 Å²	91.6	57%	0.567	45%	0.454	S	S	*	.			trans	68	-13.3	175.7	0	0	0	0	0	116.6	C626 G632	C626-G630 WeakPolarHBondContact O-CA 3.34Å; C626-G630 PolarHBondContact O-N 2.97Å; G630-G632 PolarHBondContact O-N 3.44Å; G630-G632 VanDerWaalsContact O-N 3.15Å
631	K	56	Low	62	Low	124 Å²	124	82.1 Å²	82.1	54%	0.539	43%	0.426	S	S	.	.			trans	-58.9	118.3	-174.6	-71.2	175.7	-172	165.1	0	111.3	C626 C629 F633	C626-K631 PolarHBondContact N-O 2.93Å; C629-K631 PolarHBondContact O-N 2.88Å; K631-F633 HydrophobicContact CB-CE2 3.83Å; K631-F633 HydrophobicContact CB-CZ 4.11Å; K631-F633 VanDerWaalsContact O-CD2 3.3Å; K631-F633 WeakPolarHBondContact O-CD2 3.22Å; K631-F633 WeakPolarHBondContact O-CE2 3.21Å
632	G	54.6	Low	62.4	Low	10 Å²	10	76.4 Å²	76.4	10%	0.103	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	137.9	175.7	0	0	0	0	0	113.1	R622 G630	R622-G632 VanDerWaalsContact CD-O 3.29Å; R622-G632 WeakPolarHBondContact CD-O 3.47Å; R622-G632 PolarHBondContact NH1-O 3.2Å; G630-G632 PolarHBondContact O-N 3.44Å; G630-G632 VanDerWaalsContact O-N 3.15Å
633	F	67.4	Low	61.9	Low	45 Å²	45	71.5 Å²	71.5	20%	0.197	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.6	175	-59.6	-92.9	0	0	0	111.5	R622 F624 C626 K631 R635 H638 L639 H642	R622-F633 CarbonylContact C-O 3.57Å; F624-F633 HydrophobicContact CB-CB 4.39Å; F624-F633 WeakPolarHBondContact CB-O 3.5Å; F624-F633 PolarHBondContact N-O 2.99Å; F624-F633 VanDerWaalsContact N-O 3.14Å; F624-F633 PolarHBondContact O-N 3.5Å; C626-F633 HydrophobicContact CB-CE2 4.49Å; K631-F633 HydrophobicContact CB-CE2 3.83Å; K631-F633 HydrophobicContact CB-CZ 4.11Å; K631-F633 VanDerWaalsContact O-CD2 3.3Å; K631-F633 WeakPolarHBondContact O-CD2 3.22Å; K631-F633 WeakPolarHBondContact O-CE2 3.21Å; F633-R635 VanDerWaalsContact C-N 3.27Å; F633-R635 PolarHBondContact O-N 3.32Å; F633-H638 HydrophobicContact CB-CB 4.38Å; F633-H638 HydrophobicContact CD1-CB 3.92Å; F633-H638 HydrophobicContact CG-CB 4.45Å; F633-L639 HydrophobicContact CB-CB 4.31Å; F633-L639 HydrophobicContact CD2-CB 4.11Å; F633-L639 HydrophobicContact CD2-CD1 3.9Å; F633-L639 HydrophobicContact CE2-CD1 4.16Å; F633-L639 HydrophobicContact CG-CB 4.35Å; F633-H642 HydrophobicContact CE1-CB 4.02Å; F633-H642 HydrophobicContact CE2-CB 3.85Å; F633-H642 AromaticContact CE2-CD2 3.32Å; F633-H642 WeakPolarHBondContact CE2-CD2 3.27Å; F633-H642 AromaticContact CE2-CG 3.54Å; F633-H642 HydrophobicContact CZ-CB 3.46Å; F633-H642 VanDerWaalsContact CZ-CB 3.46Å; F633-H642 AromaticContact CZ-CD2 3.56Å; F633-H642 AromaticContact CZ-CG 3.27Å; F633-H642 AromaticContact CZ-ND1 3.81Å
634	G	61.5	Low	61.8	Low	27 Å²	27	74 Å²	74	28%	0.278	38%	0.382	S	S	.	.	S	Bend	trans	-80.6	0.9	174.4	0	0	0	0	0	114.7
635	R	65.8	Low	60.8	Low	73 Å²	73	74.3 Å²	74.3	28%	0.275	39%	0.387	S	S	.	.	S	Bend	trans	-146	131.2	-176.9	-63.1	175.7	-177	-168.3	-8.3	111.2	Q613 F624 F633 S637 H638 L639	Q613-R635 HydrophobicContact CG-CG 4.34Å; Q613-R635 PolarHBondContact O-NH2 3.4Å; F624-R635 VanDerWaalsContact CD2-C 3.48Å; F633-R635 VanDerWaalsContact C-N 3.27Å; F633-R635 PolarHBondContact O-N 3.32Å; R635-S637 VanDerWaalsContact C-N 3.26Å; R635-S637 PolarHBondContact O-N 3.25Å; R635-H638 HydrophobicContact CB-CB 4.26Å; R635-H638 WeakPolarHBondContact CD-NE2 3.21Å; R635-H638 PolarHBondContact O-N 3.1Å; R635-H638 VanDerWaalsContact O-N 3.07Å; R635-L639 PolarHBondContact O-N 3.18Å; R635-L639 VanDerWaalsContact O-N 3.1Å
636	R	64.9	Low	60.4	Low	191 Å²	191	70.1 Å²	70.1	72%	0.721	37%	0.37	S	S	*	.	H	α-helix	trans	-60.7	-31.5	177	-166	176	-179.5	-178.9	1	113.2	F624 L639 A640	F624-R636 HydrophobicContact CD1-CB 3.76Å; F624-R636 HydrophobicContact CD1-CG 4.06Å; F624-R636 HydrophobicContact CD2-CB 4.49Å; F624-R636 HydrophobicContact CE1-CB 3.72Å; F624-R636 HydrophobicContact CE1-CG 4.19Å; F624-R636 HydrophobicContact CE2-CB 4.44Å; F624-R636 HydrophobicContact CG-CB 4.16Å; F624-R636 HydrophobicContact CZ-CB 4.07Å; R636-L639 PolarHBondContact O-N 3.27Å; R636-A640 WeakPolarHBondContact O-CB 3.44Å; R636-A640 PolarHBondContact O-N 2.85Å
637	S	63.8	Low	59.6	Low	76 Å²	76	73.2 Å²	73.2	53%	0.531	39%	0.392	S	S	.	.	H	α-helix	trans	-66.3	-35.7	174.6	50.7	0	0	0	0	112.9	R635 A640 G641	R635-S637 VanDerWaalsContact C-N 3.26Å; R635-S637 PolarHBondContact O-N 3.25Å; S637-A640 PolarHBondContact O-N 2.95Å; S637-G641 PolarHBondContact O-N 3.06Å
638	H	66.6	Low	58.7	Low	98 Å²	98	76.3 Å²	76.3	45%	0.454	39%	0.391	S	S	.	.	H	α-helix	trans	-74.1	-38.8	176.8	-65.7	-156.9	0	0	0	110.3	F633 R635 G641 H642	F633-H638 HydrophobicContact CB-CB 4.38Å; F633-H638 HydrophobicContact CD1-CB 3.92Å; F633-H638 HydrophobicContact CG-CB 4.45Å; R635-H638 HydrophobicContact CB-CB 4.26Å; R635-H638 WeakPolarHBondContact CD-NE2 3.21Å; R635-H638 PolarHBondContact O-N 3.1Å; R635-H638 VanDerWaalsContact O-N 3.07Å; H638-G641 PolarHBondContact O-N 3.04Å; H638-H642 WeakPolarHBondContact O-CB 3.35Å; H638-H642 PolarHBondContact O-N 3.05Å
639	L	64.8	Low	58.1	Low	22 Å²	22	79 Å²	79	12%	0.115	40%	0.404	C	S	.	.	H	α-helix	trans	-60.2	-46.8	169	176	62	0	0	0	111.3	F624 K625 C626 F633 R635 R636 G641 H642 L643	F624-L639 HydrophobicContact CB-CB 3.95Å; F624-L639 HydrophobicContact CB-CD2 3.77Å; F624-L639 HydrophobicContact CB-CG 4.47Å; K625-L639 WeakPolarHBondContact O-CD2 3.22Å; C626-L639 HydrophobicContact CB-CD1 3.77Å; F633-L639 HydrophobicContact CB-CB 4.31Å; F633-L639 HydrophobicContact CD2-CB 4.11Å; F633-L639 HydrophobicContact CD2-CD1 3.9Å; F633-L639 HydrophobicContact CE2-CD1 4.16Å; F633-L639 HydrophobicContact CG-CB 4.35Å; R635-L639 PolarHBondContact O-N 3.18Å; R635-L639 VanDerWaalsContact O-N 3.1Å; R636-L639 PolarHBondContact O-N 3.27Å; L639-G641 VanDerWaalsContact C-N 3.26Å; L639-G641 PolarHBondContact O-N 3.5Å; L639-H642 CarbonylContact O-C 3.53Å; L639-H642 WeakPolarHBondContact O-CA 3.46Å; L639-H642 WeakPolarHBondContact O-CB 3.46Å; L639-H642 PolarHBondContact O-N 3.38Å; L639-L643 HydrophobicContact CD1-CD1 4.22Å; L639-L643 HydrophobicContact CD1-CD2 4.15Å; L639-L643 HydrophobicContact CD1-CG 3.92Å; L639-L643 HydrophobicContact CG-CD1 4.01Å; L639-L643 HydrophobicContact CG-CG 4.18Å; L639-L643 WeakPolarHBondContact O-CG 3.47Å; L639-L643 PolarHBondContact O-N 3.07Å
640	A	63.1	Low	57.4	Low	46 Å²	46	84.3 Å²	84.3	38%	0.38	42%	0.421	S	S	.	.	H	α-helix	trans	-65.8	-26.3	178.1	0	0	0	0	0	113.4	R636 S637 R644	R636-A640 WeakPolarHBondContact O-CB 3.44Å; R636-A640 PolarHBondContact O-N 2.85Å; S637-A640 PolarHBondContact O-N 2.95Å; A640-R644 PolarHBondContact O-NH1 3.24Å
641	G	56.4	Low	57.3	Low	23 Å²	23	83.6 Å²	83.6	24%	0.237	41%	0.407	C	S	.	.	H	α-helix	trans	-71.2	-38.6	167.3	0	0	0	0	0	112.7	S637 H638 L639	S637-G641 PolarHBondContact O-N 3.06Å; H638-G641 PolarHBondContact O-N 3.04Å; L639-G641 VanDerWaalsContact C-N 3.26Å; L639-G641 PolarHBondContact O-N 3.5Å
642	H	63.3	Low	57.2	Low	15 Å²	15	81.5 Å²	81.5	7%	0.069	40%	0.399	C	S	.	.	H	α-helix	trans	-74	-34.9	178.9	170.1	64.3	0	0	0	114	C626 C629 F633 H638 L639 R644 L645 H646	C626-H642 WeakPolarHBondContact CB-NE2 3.25Å; C626-H642 PolarHBondContact SG-NE2 3.21Å; C629-H642 PolarHBondContact SG-CE1 3.29Å; C629-H642 PolarHBondContact SG-NE2 3.25Å; F633-H642 HydrophobicContact CE1-CB 4.02Å; F633-H642 HydrophobicContact CE2-CB 3.85Å; F633-H642 AromaticContact CE2-CD2 3.32Å; F633-H642 WeakPolarHBondContact CE2-CD2 3.27Å; F633-H642 AromaticContact CE2-CG 3.54Å; F633-H642 HydrophobicContact CZ-CB 3.46Å; F633-H642 VanDerWaalsContact CZ-CB 3.46Å; F633-H642 AromaticContact CZ-CD2 3.56Å; F633-H642 AromaticContact CZ-CG 3.27Å; F633-H642 AromaticContact CZ-ND1 3.81Å; H638-H642 WeakPolarHBondContact O-CB 3.35Å; H638-H642 PolarHBondContact O-N 3.05Å; L639-H642 CarbonylContact O-C 3.53Å; L639-H642 WeakPolarHBondContact O-CA 3.46Å; L639-H642 WeakPolarHBondContact O-CB 3.46Å; L639-H642 PolarHBondContact O-N 3.38Å; H642-R644 PolarHBondContact O-N 2.76Å; H642-L645 WeakPolarHBondContact O-CB 3.22Å; H642-L645 WeakPolarHBondContact O-CG 3.47Å; H642-L645 PolarHBondContact O-N 2.84Å; H642-H646 AromaticContact CD2-NE2 3.91Å; H642-H646 AromaticContact CE1-CE1 3.75Å; H642-H646 AromaticContact CE1-NE2 3.43Å; H642-H646 PolarHBondContact CE1-NE2 3.42Å; H642-H646 AromaticContact NE2-CE1 3.82Å; H642-H646 AromaticContact NE2-NE2 3.11Å; H642-H646 PolarHBondContact NE2-NE2 2.83Å; H642-H646 VanDerWaalsContact NE2-NE2 3.11Å
643	L	51.7	Low	56.9	Low	57 Å²	57	86.8 Å²	86.8	30%	0.298	42%	0.421	S	S	.	.	H	α-helix	trans	-64.4	-26.9	176.2	-67.9	172.8	0	0	0	112.1	E628 L639 L645 H646 S647	E628-L643 WeakPolarHBondContact OE1-CD2 3.4Å; L639-L643 HydrophobicContact CD1-CD1 4.22Å; L639-L643 HydrophobicContact CD1-CD2 4.15Å; L639-L643 HydrophobicContact CD1-CG 3.92Å; L639-L643 HydrophobicContact CG-CD1 4.01Å; L639-L643 HydrophobicContact CG-CG 4.18Å; L639-L643 WeakPolarHBondContact O-CG 3.47Å; L639-L643 PolarHBondContact O-N 3.07Å; L643-L645 PolarHBondContact O-N 3.36Å; L643-L645 VanDerWaalsContact O-N 3.16Å; L643-H646 PolarHBondContact O-N 3.18Å; L643-H646 VanDerWaalsContact O-N 3.08Å; L643-S647 PolarHBondContact O-N 3.1Å; L643-S647 VanDerWaalsContact O-N 3.14Å; L643-S647 PolarHBondContact O-OG 2.85Å
644	R	58.8	Low	56.3	Low	136 Å²	136	84.7 Å²	84.7	51%	0.513	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-4.1	169.6	-63.5	-168.3	-58.7	-94.3	13.2	114.4	A640 H642 F662	A640-R644 PolarHBondContact O-NH1 3.24Å; H642-R644 PolarHBondContact O-N 2.76Å; R644-F662 WeakPolarHBondContact O-CD1 3.35Å
645	L	49.6	Very low	55.7	Low	82 Å²	82	92.1 Å²	92.1	43%	0.429	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-19.1	170.7	-52.5	-179.4	0	0	0	112.3	H642 L643 F662	H642-L645 WeakPolarHBondContact O-CB 3.22Å; H642-L645 WeakPolarHBondContact O-CG 3.47Å; H642-L645 PolarHBondContact O-N 2.84Å; L643-L645 PolarHBondContact O-N 3.36Å; L643-L645 VanDerWaalsContact O-N 3.16Å; L645-F662 HydrophobicContact CD2-CB 3.8Å; L645-F662 HydrophobicContact CD2-CD1 3.77Å; L645-F662 HydrophobicContact CD2-CD2 3.68Å; L645-F662 HydrophobicContact CD2-CE1 4.27Å; L645-F662 HydrophobicContact CD2-CE2 4.21Å; L645-F662 HydrophobicContact CD2-CG 3.44Å; L645-F662 VanDerWaalsContact CD2-CG 3.44Å; L645-F662 HydrophobicContact CD2-CZ 4.48Å
646	H	53	Low	55	Low	57 Å²	57	93 Å²	93	26%	0.264	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-44.2	175.5	-49.8	-55.1	0	0	0	110.7	C626 E628 H642 L643 R648	C626-H646 PolarHBondContact SG-NE2 3Å; E628-H646 IonicContact OE1-CD2 3.71Å; E628-H646 PolarHBondContact OE1-CD2 3.28Å; E628-H646 VanDerWaalsContact OE1-CD2 3.24Å; E628-H646 IonicContact OE1-CG 3.28Å; E628-H646 WeakPolarHBondContact OE2-CB 3.41Å; E628-H646 IonicContact OE2-CD2 3.65Å; E628-H646 IonicContact OE2-CG 3.99Å; H642-H646 AromaticContact CD2-NE2 3.91Å; H642-H646 AromaticContact CE1-CE1 3.75Å; H642-H646 AromaticContact CE1-NE2 3.43Å; H642-H646 PolarHBondContact CE1-NE2 3.42Å; H642-H646 AromaticContact NE2-CE1 3.82Å; H642-H646 AromaticContact NE2-NE2 3.11Å; H642-H646 PolarHBondContact NE2-NE2 2.83Å; H642-H646 VanDerWaalsContact NE2-NE2 3.11Å; L643-H646 PolarHBondContact O-N 3.18Å; L643-H646 VanDerWaalsContact O-N 3.08Å; H646-R648 PolarHBondContact O-N 3.23Å
647	S	51.1	Low	54.7	Low	68 Å²	68	87 Å²	87	48%	0.476	43%	0.433	S	S	.	.	S	Bend	trans	-71.2	92.7	170.7	-46.7	0	0	0	0	110.7	L643 E649	L643-S647 PolarHBondContact O-N 3.1Å; L643-S647 VanDerWaalsContact O-N 3.14Å; L643-S647 PolarHBondContact O-OG 2.85Å; S647-E649 PolarHBondContact O-N 3.19Å
648	R	48.5	Very low	54.1	Low	226 Å²	226	84.8 Å²	84.8	85%	0.853	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	10.1	178.8	-73.5	-174.8	171	-172.7	-3.1	116.2	H646	H646-R648 PolarHBondContact O-N 3.23Å
649	E	47.3	Very low	53.1	Low	176 Å²	176	85.6 Å²	85.6	82%	0.822	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.6	-169	-113.7	178.8	-176.6	0	0	115	S647	S647-E649 PolarHBondContact O-N 3.19Å
650	K	45.3	Very low	52.2	Low	164 Å²	164	88.3 Å²	88.3	71%	0.713	44%	0.44	S	S	*	.	S	Bend	trans	-139.4	71.1	-179.6	-65.6	-164.5	179.4	-168	0	112.2
651	S	49.8	Very low	51.7	Low	39 Å²	39	88 Å²	88	27%	0.273	43%	0.43	S	S	.	.			trans	-127.8	131.9	173.5	55.7	0	0	0	0	110.9	Q653 I660 F661	S651-Q653 PolarHBondContact O-N 2.96Å; S651-I660 WeakPolarHBondContact OG-CG2 3.37Å; S651-F661 CarbonylContact C-O 3.55Å
652	H	54.1	Low	51.2	Low	80 Å²	80	90.8 Å²	90.8	37%	0.37	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	106.8	176.7	-54.2	-88.1	0	0	0	109	F661 L667	H652-F661 PolarHBondContact N-O 3.32Å; H652-F661 WeakPolarHBondContact O-CB 3.38Å; H652-F661 PolarHBondContact O-N 3.08Å; H652-L667 HydrophobicContact CB-CB 4.17Å; H652-L667 HydrophobicContact CB-CD2 3.68Å; H652-L667 HydrophobicContact CB-CG 4.48Å
653	Q	47.9	Very low	50.4	Low	121 Å²	121	96.3 Å²	96.3	57%	0.565	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	136.1	177	-168.5	170.2	26.3	0	0	110.6	S651 H655 G658 E659 I660	S651-Q653 PolarHBondContact O-N 2.96Å; Q653-H655 PolarHBondContact O-N 3.37Å; Q653-G658 WeakPolarHBondContact CG-O 3.46Å; Q653-G658 PolarHBondContact NE2-O 3Å; Q653-E659 CarbonylContact C-O 3.58Å; Q653-E659 WeakPolarHBondContact CA-O 3.33Å; Q653-I660 HydrophobicContact CG-CG1 4.25Å
654	C	55.3	Low	49.9	Very low	1 Å²	1	100.1 Å²	100.1	1%	0.007	47%	0.473	C	S	.	.			trans	-72.5	120.8	169.3	-177.1	0	0	0	0	109.8	E656 G658 E659 F661 L667 H670 H674	C654-E656 PolarHBondContact O-N 3.03Å; C654-G658 VanDerWaalsContact O-CA 3.29Å; C654-G658 WeakPolarHBondContact O-CA 3.35Å; C654-G658 PolarHBondContact O-N 2.89Å; C654-E659 PolarHBondContact N-O 3.49Å; C654-F661 HydrophobicContact CB-CE2 4.19Å; C654-L667 HydrophobicContact CB-CD1 3.68Å; C654-H670 PolarHBondContact SG-NE2 3.27Å; C654-H674 PolarHBondContact SG-NE2 3.39Å; C654-H674 VanDerWaalsContact SG-NE2 3.37Å
655	H	49.4	Very low	49.2	Very low	184 Å²	184	97.6 Å²	97.6	85%	0.852	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.2	-178.7	-169.2	60.2	0	0	0	113.3	Q653	Q653-H655 PolarHBondContact O-N 3.37Å
656	E	50	Low	49.2	Very low	91 Å²	91	95.5 Å²	95.5	43%	0.425	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-17.7	-173.2	-61.7	-173.6	101.3	0	0	114.6	C654 H674 K678	C654-E656 PolarHBondContact O-N 3.03Å; E656-H674 VanDerWaalsContact OE2-CB 3.27Å; E656-H674 WeakPolarHBondContact OE2-CB 3.43Å; E656-H674 IonicContact OE2-CD2 2.74Å; E656-H674 IonicContact OE2-CG 3.99Å; E656-K678 IonicContact OE1-NZ 3.64Å; E656-K678 PolarHBondContact OE1-NZ 3.22Å
657	C	58.1	Low	49.1	Very low	65 Å²	65	93.4 Å²	93.4	44%	0.439	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.8	-0.7	179.1	69.3	0	0	0	0	115.3	E659 H670 H674	C657-E659 VanDerWaalsContact C-N 3.27Å; C657-E659 PolarHBondContact O-N 3.18Å; C657-H670 PolarHBondContact SG-NE2 3.06Å; C657-H674 VanDerWaalsContact SG-CE1 3.54Å; C657-H674 PolarHBondContact SG-NE2 3.29Å; C657-H674 VanDerWaalsContact SG-NE2 3.41Å
658	G	51.7	Low	49	Very low	30 Å²	30	93.6 Å²	93.6	31%	0.309	45%	0.451	S	S	.	.			trans	77.6	-2.6	178.1	0	0	0	0	0	116.2	Q653 C654 I660	Q653-G658 WeakPolarHBondContact CG-O 3.46Å; Q653-G658 PolarHBondContact NE2-O 3Å; C654-G658 VanDerWaalsContact O-CA 3.29Å; C654-G658 WeakPolarHBondContact O-CA 3.35Å; C654-G658 PolarHBondContact O-N 2.89Å; G658-I660 WeakPolarHBondContact O-CG1 3.49Å
659	E	45.9	Very low	49	Very low	115 Å²	115	88.6 Å²	88.6	54%	0.537	44%	0.437	S	S	.	.			trans	-63	147.2	178.8	-82.3	-66.5	169.6	0	0	113.3	Q653 C654 C657 F661	Q653-E659 CarbonylContact C-O 3.58Å; Q653-E659 WeakPolarHBondContact CA-O 3.33Å; C654-E659 PolarHBondContact N-O 3.49Å; C657-E659 VanDerWaalsContact C-N 3.27Å; C657-E659 PolarHBondContact O-N 3.18Å; E659-F661 HydrophobicContact CB-CE2 3.53Å; E659-F661 HydrophobicContact CB-CZ 3.86Å
660	I	46.3	Very low	49.4	Very low	79 Å²	79	81.6 Å²	81.6	41%	0.405	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	110.7	-161.1	-60.3	-174.3	0	0	0	111.9	S651 Q653 G658 F662	S651-I660 WeakPolarHBondContact OG-CG2 3.37Å; Q653-I660 HydrophobicContact CG-CG1 4.25Å; G658-I660 WeakPolarHBondContact O-CG1 3.49Å; I660-F662 HydrophobicContact CG2-CE2 4.33Å; I660-F662 HydrophobicContact CG2-CZ 4.03Å
661	F	52.7	Low	49.6	Very low	39 Å²	39	76.8 Å²	76.8	17%	0.171	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.7	-172.4	-61.6	-87	0	0	0	113.2	S651 H652 C654 E659 S666 L667 H670	S651-F661 CarbonylContact C-O 3.55Å; H652-F661 PolarHBondContact N-O 3.32Å; H652-F661 WeakPolarHBondContact O-CB 3.38Å; H652-F661 PolarHBondContact O-N 3.08Å; C654-F661 HydrophobicContact CB-CE2 4.19Å; E659-F661 HydrophobicContact CB-CE2 3.53Å; E659-F661 HydrophobicContact CB-CZ 3.86Å; F661-S666 VanDerWaalsContact CD1-O 3.31Å; F661-S666 WeakPolarHBondContact CD1-O 3.25Å; F661-L667 HydrophobicContact CB-CB 4Å; F661-L667 HydrophobicContact CD2-CB 4.29Å; F661-L667 HydrophobicContact CD2-CD1 3.74Å; F661-L667 HydrophobicContact CE2-CD1 4.23Å; F661-L667 HydrophobicContact CG-CB 4.22Å; F661-L667 HydrophobicContact CG-CD1 4.5Å; F661-H670 HydrophobicContact CD1-CB 4.49Å; F661-H670 HydrophobicContact CE1-CB 3.76Å; F661-H670 AromaticContact CE1-CG 3.96Å; F661-H670 HydrophobicContact CE2-CB 3.97Å; F661-H670 AromaticContact CE2-CD2 3.3Å; F661-H670 WeakPolarHBondContact CE2-CD2 3.48Å; F661-H670 AromaticContact CE2-CG 3.52Å; F661-H670 AromaticContact CE2-NE2 3.74Å; F661-H670 HydrophobicContact CZ-CB 3.49Å; F661-H670 VanDerWaalsContact CZ-CB 3.49Å; F661-H670 AromaticContact CZ-CD2 3.48Å; F661-H670 VanDerWaalsContact CZ-CD2 3.48Å; F661-H670 WeakPolarHBondContact CZ-CD2 3.26Å; F661-H670 AromaticContact CZ-CE1 3.87Å; F661-H670 AromaticContact CZ-CG 3.17Å; F661-H670 AromaticContact CZ-ND1 3.46Å; F661-H670 WeakPolarHBondContact CZ-ND1 3.48Å; F661-H670 AromaticContact CZ-NE2 3.9Å
662	F	46.1	Very low	49.9	Very low	81 Å²	81	79.6 Å²	79.6	36%	0.355	40%	0.4	S	S	.	.	S	Bend	trans	-94	5.7	-176.6	-58.2	-86.8	0	0	0	114	R644 L645 I660	R644-F662 WeakPolarHBondContact O-CD1 3.35Å; L645-F662 HydrophobicContact CD2-CB 3.8Å; L645-F662 HydrophobicContact CD2-CD1 3.77Å; L645-F662 HydrophobicContact CD2-CD2 3.68Å; L645-F662 HydrophobicContact CD2-CE1 4.27Å; L645-F662 HydrophobicContact CD2-CE2 4.21Å; L645-F662 HydrophobicContact CD2-CG 3.44Å; L645-F662 VanDerWaalsContact CD2-CG 3.44Å; L645-F662 HydrophobicContact CD2-CZ 4.48Å; I660-F662 HydrophobicContact CG2-CE2 4.33Å; I660-F662 HydrophobicContact CG2-CZ 4.03Å
663	Q	45.1	Very low	49.7	Very low	131 Å²	131	81.3 Å²	81.3	61%	0.612	41%	0.411	S	S	*	.	S	Bend	trans	-140.2	134.2	170.3	-63.5	-171.8	58.7	0	0	108.5	V665 S666 L667	Q663-V665 VanDerWaalsContact C-N 3.3Å; Q663-V665 PolarHBondContact O-N 3.47Å; Q663-S666 PolarHBondContact O-N 3.39Å; Q663-S666 VanDerWaalsContact O-N 3.12Å; Q663-L667 PolarHBondContact O-N 3.45Å
664	Y	42.5	Very low	50	Low	137 Å²	137	77 Å²	77	54%	0.537	39%	0.391	S	S	.	.	H	α-helix	trans	-58.9	-39.3	179.9	-180	-120	0	0	0	112.7	S666 L667 L668	Y664-S666 VanDerWaalsContact C-N 3.3Å; Y664-S666 PolarHBondContact O-N 2.97Å; Y664-L667 WeakPolarHBondContact O-CB 3.28Å; Y664-L667 PolarHBondContact O-N 3.33Å; Y664-L667 VanDerWaalsContact O-N 3.08Å; Y664-L668 HydrophobicContact CD1-CD1 4.11Å; Y664-L668 HydrophobicContact CE1-CD1 3.73Å; Y664-L668 HydrophobicContact CE1-CG 4.27Å; Y664-L668 HydrophobicContact CE2-CD2 4.27Å; Y664-L668 HydrophobicContact CE2-CG 4.38Å; Y664-L668 PolarHBondContact O-N 3.31Å
665	V	44.6	Very low	49.8	Very low	84 Å²	84	80.6 Å²	80.6	51%	0.509	41%	0.413	S	S	.	.	H	α-helix	trans	-57.4	-42.9	175.4	-177	0	0	0	0	111.4	Q663 L667 L668 E669	Q663-V665 VanDerWaalsContact C-N 3.3Å; Q663-V665 PolarHBondContact O-N 3.47Å; V665-L667 VanDerWaalsContact C-N 3.32Å; V665-L667 PolarHBondContact O-N 2.92Å; V665-L668 WeakPolarHBondContact O-CB 3.49Å; V665-L668 PolarHBondContact O-N 3.1Å; V665-L668 VanDerWaalsContact O-N 3.11Å; V665-E669 HydrophobicContact CG1-CG 4.37Å; V665-E669 WeakPolarHBondContact O-CG 3.31Å; V665-E669 PolarHBondContact O-N 3.48Å
666	S	49.5	Very low	49.7	Very low	38 Å²	38	75.2 Å²	75.2	27%	0.266	41%	0.407	S	S	.	.	H	α-helix	trans	-74.3	-19.3	178.5	-54.9	0	0	0	0	114.2	F661 Q663 Y664 E669 H670	F661-S666 VanDerWaalsContact CD1-O 3.31Å; F661-S666 WeakPolarHBondContact CD1-O 3.25Å; Q663-S666 PolarHBondContact O-N 3.39Å; Q663-S666 VanDerWaalsContact O-N 3.12Å; Y664-S666 VanDerWaalsContact C-N 3.3Å; Y664-S666 PolarHBondContact O-N 2.97Å; S666-E669 VanDerWaalsContact CA-OE2 3.3Å; S666-E669 WeakPolarHBondContact CA-OE2 3.38Å; S666-E669 PolarHBondContact OG-OE2 3.17Å; S666-H670 VanDerWaalsContact O-CB 3.31Å; S666-H670 WeakPolarHBondContact O-CB 3.47Å; S666-H670 PolarHBondContact O-N 3.5Å
667	L	49.9	Very low	49.4	Very low	13 Å²	13	78.5 Å²	78.5	7%	0.068	42%	0.422	C	S	.	.	H	α-helix	trans	-70.7	-45.4	163.9	174.9	61.9	0	0	0	110.3	H652 C654 F661 Q663 Y664 V665 H670 Q671	H652-L667 HydrophobicContact CB-CB 4.17Å; H652-L667 HydrophobicContact CB-CD2 3.68Å; H652-L667 HydrophobicContact CB-CG 4.48Å; C654-L667 HydrophobicContact CB-CD1 3.68Å; F661-L667 HydrophobicContact CB-CB 4Å; F661-L667 HydrophobicContact CD2-CB 4.29Å; F661-L667 HydrophobicContact CD2-CD1 3.74Å; F661-L667 HydrophobicContact CE2-CD1 4.23Å; F661-L667 HydrophobicContact CG-CB 4.22Å; F661-L667 HydrophobicContact CG-CD1 4.5Å; Q663-L667 PolarHBondContact O-N 3.45Å; Y664-L667 WeakPolarHBondContact O-CB 3.28Å; Y664-L667 PolarHBondContact O-N 3.33Å; Y664-L667 VanDerWaalsContact O-N 3.08Å; V665-L667 VanDerWaalsContact C-N 3.32Å; V665-L667 PolarHBondContact O-N 2.92Å; L667-H670 CarbonylContact O-C 3.12Å; L667-H670 PolarHBondContact O-N 3.36Å; L667-H670 VanDerWaalsContact O-N 3.14Å; L667-Q671 HydrophobicContact CD1-CG 3.83Å; L667-Q671 HydrophobicContact CG-CG 4.13Å; L667-Q671 WeakPolarHBondContact O-CG 3.22Å; L667-Q671 PolarHBondContact O-N 3.34Å
668	L	48.8	Very low	48.3	Very low	72 Å²	72	82.2 Å²	82.2	38%	0.377	43%	0.431	S	S	.	.	H	α-helix	trans	-60.7	-47.9	178.7	-64.5	174	0	0	0	111.6	Y664 V665 H670 Q671 V672	Y664-L668 HydrophobicContact CD1-CD1 4.11Å; Y664-L668 HydrophobicContact CE1-CD1 3.73Å; Y664-L668 HydrophobicContact CE1-CG 4.27Å; Y664-L668 HydrophobicContact CE2-CD2 4.27Å; Y664-L668 HydrophobicContact CE2-CG 4.38Å; Y664-L668 PolarHBondContact O-N 3.31Å; V665-L668 WeakPolarHBondContact O-CB 3.49Å; V665-L668 PolarHBondContact O-N 3.1Å; V665-L668 VanDerWaalsContact O-N 3.11Å; L668-H670 PolarHBondContact O-N 2.83Å; L668-Q671 PolarHBondContact O-N 3.33Å; L668-Q671 VanDerWaalsContact O-N 3.13Å; L668-V672 WeakPolarHBondContact O-CG2 3.15Å; L668-V672 PolarHBondContact O-N 2.65Å; L668-V672 VanDerWaalsContact O-N 3.16Å
669	E	49.5	Very low	47.6	Very low	121 Å²	121	86.2 Å²	86.2	57%	0.565	45%	0.454	S	S	*	.	H	α-helix	trans	-54.7	-36.3	174.2	-70.5	168.3	154	0	0	112.1	V665 S666	V665-E669 HydrophobicContact CG1-CG 4.37Å; V665-E669 WeakPolarHBondContact O-CG 3.31Å; V665-E669 PolarHBondContact O-N 3.48Å; S666-E669 VanDerWaalsContact CA-OE2 3.3Å; S666-E669 WeakPolarHBondContact CA-OE2 3.38Å; S666-E669 PolarHBondContact OG-OE2 3.17Å
670	H	55.6	Low	47.5	Very low	28 Å²	28	87.7 Å²	87.7	13%	0.13	46%	0.461	C	S	.	.	H	α-helix	trans	-79.3	-36.5	176.7	168.9	80.2	0	0	0	113.4	C654 C657 F661 S666 L667 L668 V672 L673 H674	C654-H670 PolarHBondContact SG-NE2 3.27Å; C657-H670 PolarHBondContact SG-NE2 3.06Å; F661-H670 HydrophobicContact CD1-CB 4.49Å; F661-H670 HydrophobicContact CE1-CB 3.76Å; F661-H670 AromaticContact CE1-CG 3.96Å; F661-H670 HydrophobicContact CE2-CB 3.97Å; F661-H670 AromaticContact CE2-CD2 3.3Å; F661-H670 WeakPolarHBondContact CE2-CD2 3.48Å; F661-H670 AromaticContact CE2-CG 3.52Å; F661-H670 AromaticContact CE2-NE2 3.74Å; F661-H670 HydrophobicContact CZ-CB 3.49Å; F661-H670 VanDerWaalsContact CZ-CB 3.49Å; F661-H670 AromaticContact CZ-CD2 3.48Å; F661-H670 VanDerWaalsContact CZ-CD2 3.48Å; F661-H670 WeakPolarHBondContact CZ-CD2 3.26Å; F661-H670 AromaticContact CZ-CE1 3.87Å; F661-H670 AromaticContact CZ-CG 3.17Å; F661-H670 AromaticContact CZ-ND1 3.46Å; F661-H670 WeakPolarHBondContact CZ-ND1 3.48Å; F661-H670 AromaticContact CZ-NE2 3.9Å; S666-H670 VanDerWaalsContact O-CB 3.31Å; S666-H670 WeakPolarHBondContact O-CB 3.47Å; S666-H670 PolarHBondContact O-N 3.5Å; L667-H670 CarbonylContact O-C 3.12Å; L667-H670 PolarHBondContact O-N 3.36Å; L667-H670 VanDerWaalsContact O-N 3.14Å; L668-H670 PolarHBondContact O-N 2.83Å; H670-V672 VanDerWaalsContact C-N 3.28Å; H670-V672 PolarHBondContact O-N 2.88Å; H670-L673 VanDerWaalsContact O-CB 3.23Å; H670-L673 WeakPolarHBondContact O-CB 3Å; H670-L673 PolarHBondContact O-N 2.65Å; H670-H674 AromaticContact CD2-NE2 3.74Å; H670-H674 AromaticContact CE1-NE2 3.5Å; H670-H674 PolarHBondContact CE1-NE2 2.87Å; H670-H674 AromaticContact NE2-CD2 3.94Å; H670-H674 AromaticContact NE2-CE1 3.87Å; H670-H674 AromaticContact NE2-NE2 2.99Å; H670-H674 PolarHBondContact NE2-NE2 3.23Å
671	Q	48.9	Very low	47.4	Very low	63 Å²	63	91.9 Å²	91.9	29%	0.294	48%	0.476	S	S	.	.	H	α-helix	trans	-64.2	-33.3	178.3	-77.1	176.6	-55.2	0	0	112.1	L667 L668 L673 H674 V675	L667-Q671 HydrophobicContact CD1-CG 3.83Å; L667-Q671 HydrophobicContact CG-CG 4.13Å; L667-Q671 WeakPolarHBondContact O-CG 3.22Å; L667-Q671 PolarHBondContact O-N 3.34Å; L668-Q671 PolarHBondContact O-N 3.33Å; L668-Q671 VanDerWaalsContact O-N 3.13Å; Q671-L673 PolarHBondContact O-N 2.99Å; Q671-L673 VanDerWaalsContact O-N 3.15Å; Q671-H674 PolarHBondContact O-N 3.5Å; Q671-H674 VanDerWaalsContact O-N 3.09Å; Q671-V675 PolarHBondContact O-N 3.31Å
672	V	55.4	Low	46.5	Very low	99 Å²	99	97.5 Å²	97.5	60%	0.6	51%	0.508	S	S	*	.	H	α-helix	trans	-57.2	-26.3	170.8	172.6	0	0	0	0	112.4	L668 H670 G676	L668-V672 WeakPolarHBondContact O-CG2 3.15Å; L668-V672 PolarHBondContact O-N 2.65Å; L668-V672 VanDerWaalsContact O-N 3.16Å; H670-V672 VanDerWaalsContact C-N 3.28Å; H670-V672 PolarHBondContact O-N 2.88Å; V672-G676 PolarHBondContact O-N 3.24Å
673	L	51.5	Low	46	Very low	115 Å²	115	98.7 Å²	98.7	60%	0.602	53%	0.526	S	S	*	.	H	α-helix	trans	-73.4	-26.7	178.1	-53.8	175.8	0	0	0	113.3	H670 Q671	H670-L673 VanDerWaalsContact O-CB 3.23Å; H670-L673 WeakPolarHBondContact O-CB 3Å; H670-L673 PolarHBondContact O-N 2.65Å; Q671-L673 PolarHBondContact O-N 2.99Å; Q671-L673 VanDerWaalsContact O-N 3.15Å
674	H	53.4	Low	45.6	Very low	30 Å²	30	98.4 Å²	98.4	14%	0.139	53%	0.533	C	S	.	.	H	α-helix	trans	-77.6	-35.2	175.4	-62.9	-56.2	0	0	0	111.9	C654 E656 C657 H670 Q671 G676 Q677 K678	C654-H674 PolarHBondContact SG-NE2 3.39Å; C654-H674 VanDerWaalsContact SG-NE2 3.37Å; E656-H674 VanDerWaalsContact OE2-CB 3.27Å; E656-H674 WeakPolarHBondContact OE2-CB 3.43Å; E656-H674 IonicContact OE2-CD2 2.74Å; E656-H674 IonicContact OE2-CG 3.99Å; C657-H674 VanDerWaalsContact SG-CE1 3.54Å; C657-H674 PolarHBondContact SG-NE2 3.29Å; C657-H674 VanDerWaalsContact SG-NE2 3.41Å; H670-H674 AromaticContact CD2-NE2 3.74Å; H670-H674 AromaticContact CE1-NE2 3.5Å; H670-H674 PolarHBondContact CE1-NE2 2.87Å; H670-H674 AromaticContact NE2-CD2 3.94Å; H670-H674 AromaticContact NE2-CE1 3.87Å; H670-H674 AromaticContact NE2-NE2 2.99Å; H670-H674 PolarHBondContact NE2-NE2 3.23Å; Q671-H674 PolarHBondContact O-N 3.5Å; Q671-H674 VanDerWaalsContact O-N 3.09Å; H674-G676 PolarHBondContact O-N 3.32Å; H674-Q677 PolarHBondContact O-N 2.89Å; H674-K678 PolarHBondContact O-N 3.26Å
675	V	51.9	Low	45.3	Very low	78 Å²	78	95 Å²	95	47%	0.473	53%	0.529	S	S	.	.	H	α-helix	trans	-58.2	-37.3	171.3	-176.5	0	0	0	0	110.5	Q671 Q677 K678	Q671-V675 PolarHBondContact O-N 3.31Å; V675-Q677 PolarHBondContact O-N 3.47Å; V675-Q677 VanDerWaalsContact O-N 3.09Å; V675-K678 PolarHBondContact O-N 3.3Å
676	G	45.3	Very low	44.7	Very low	70 Å²	70	96.8 Å²	96.8	72%	0.722	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-2.5	173.3	0	0	0	0	0	116.3	V672 H674	V672-G676 PolarHBondContact O-N 3.24Å; H674-G676 PolarHBondContact O-N 3.32Å
677	Q	43.9	Very low	44	Very low	160 Å²	160	103.7 Å²	103.7	75%	0.748	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	-12.2	175.2	-66.5	-164.9	-26.2	0	0	114.4	H674 V675 S679	H674-Q677 PolarHBondContact O-N 2.89Å; V675-Q677 PolarHBondContact O-N 3.47Å; V675-Q677 VanDerWaalsContact O-N 3.09Å; Q677-S679 PolarHBondContact O-N 3.38Å
678	K	35.9	Very low	43.3	Very low	143 Å²	143	106 Å²	106	62%	0.622	59%	0.585	S	S	*	*			trans	-100	59.7	-177.9	-73.3	-178.7	175.9	173.9	0	112.5	E656 H674 V675 E680	E656-K678 IonicContact OE1-NZ 3.64Å; E656-K678 PolarHBondContact OE1-NZ 3.22Å; H674-K678 PolarHBondContact O-N 3.26Å; V675-K678 PolarHBondContact O-N 3.3Å; K678-E680 PolarHBondContact O-N 3.05Å
679	S	36.8	Very low	42.8	Very low	115 Å²	115	108.3 Å²	108.3	80%	0.804	59%	0.589	S	S	*	*			trans	-76.2	70.6	168.4	60.6	0	0	0	0	111.4	Q677	Q677-S679 PolarHBondContact O-N 3.38Å
680	E	43.7	Very low	41.9	Very low	145 Å²	145	106 Å²	106	68%	0.678	59%	0.587	S	S	*	*	S	Bend	trans	176.8	137.6	142.6	-102.8	-177.7	-143.6	0	0	112.1	K678	K678-E680 PolarHBondContact O-N 3.05Å
681	K	45	Very low	40.8	Very low	168 Å²	168	114 Å²	114	73%	0.73	62%	0.616	S	S	*	*			trans	57.6	95.5	158.8	-62.6	155.3	-176	150.8	0	117.6
682	N	34	Very low	40.3	Very low	157 Å²	157	116 Å²	116	84%	0.84	63%	0.628	S	S	*	*				-166.6	118.1	129.2	-95.9	-30.4	0	0	0	110.7	V684	N682-V684 PolarHBondContact O-N 3.29Å
683	S	34.3	Very low	39.7	Very low	105 Å²	105	115.6 Å²	115.6	73%	0.734	62%	0.622	S	S	*	*			trans	-103.1	52.9	-168.6	59	0	0	0	0	113.1
684	V	36.2	Very low	39	Very low	125 Å²	125	113.1 Å²	113.1	76%	0.758	61%	0.612	S	S	*	*	S	Bend	trans	-140.6	30.7	-170.9	-155.1	0	0	0	0	112.2	N682	N682-V684 PolarHBondContact O-N 3.29Å
685	C	36.5	Very low	38.4	Very low	67 Å²	67	114.3 Å²	114.3	45%	0.453	62%	0.621	S	S	.	*			trans	-138	-7.3	-174.1	-74.4	0	0	0	0	115.5	E687 A688 Y689	C685-E687 PolarHBondContact O-N 2.95Å; C685-A688 PolarHBondContact O-N 2.94Å; C685-Y689 HydrophobicContact CB-CD2 3.88Å; C685-Y689 HydrophobicContact CB-CE2 3.89Å; C685-Y689 WeakPolarHBondContact O-CD2 3.29Å; C685-Y689 PolarHBondContact O-N 3.33Å; C685-Y689 VanDerWaalsContact O-N 3.14Å
686	D	32.2	Very low	38	Very low	120 Å²	120	115.6 Å²	115.6	64%	0.642	62%	0.624	S	S	*	*	H	α-helix	trans	-62.5	-36.7	-162.9	-57.9	-61.4	0	0	0	114	A688 Y689 S690	D686-A688 PolarHBondContact O-N 3.05Å; D686-Y689 PolarHBondContact O-N 3.39Å; D686-S690 PolarHBondContact O-N 2.86Å
687	E	35.5	Very low	37.6	Very low	183 Å²	183	117 Å²	117	86%	0.855	61%	0.612	S	S	*	*	H	α-helix	trans	-68.7	-30.8	177.2	-69.1	178.2	115.6	0	0	113.2	C685	C685-E687 PolarHBondContact O-N 2.95Å
688	A	34.6	Very low	37.4	Very low	62 Å²	62	114.3 Å²	114.3	51%	0.512	60%	0.603	S	S	.	*	H	α-helix	trans	-76.2	-27.2	173.4	0	0	0	0	0	112.4	C685 D686 N692	C685-A688 PolarHBondContact O-N 2.94Å; D686-A688 PolarHBondContact O-N 3.05Å; A688-N692 PolarHBondContact O-ND2 2.91Å
689	Y	37.8	Very low	37.6	Very low	121 Å²	121	113.2 Å²	113.2	48%	0.475	60%	0.598	S	S	.	*	H	α-helix	trans	-79.1	-37.8	176.6	-87.1	-111	0	0	0	112.1	C685 D686 W691 N692 L693	C685-Y689 HydrophobicContact CB-CD2 3.88Å; C685-Y689 HydrophobicContact CB-CE2 3.89Å; C685-Y689 WeakPolarHBondContact O-CD2 3.29Å; C685-Y689 PolarHBondContact O-N 3.33Å; C685-Y689 VanDerWaalsContact O-N 3.14Å; D686-Y689 PolarHBondContact O-N 3.39Å; Y689-W691 PolarHBondContact O-N 2.8Å; Y689-N692 PolarHBondContact O-N 3.4Å; Y689-N692 VanDerWaalsContact O-N 3.1Å; Y689-L693 PolarHBondContact O-N 3.03Å
690	S	32.5	Very low	37.6	Very low	73 Å²	73	114.3 Å²	114.3	51%	0.51	59%	0.588	S	S	.	*	H	α-helix	trans	-50.4	-52.3	177.1	-179.9	0	0	0	0	112.6	D686 N692 L693 T694	D686-S690 PolarHBondContact O-N 2.86Å; S690-N692 VanDerWaalsContact C-N 3.28Å; S690-N692 PolarHBondContact O-N 3.44Å; S690-L693 PolarHBondContact O-N 3.21Å; S690-T694 PolarHBondContact O-N 3.45Å; S690-T694 VanDerWaalsContact O-N 3.07Å; S690-T694 PolarHBondContact O-OG1 3.02Å
691	W	32.3	Very low	37.3	Very low	195 Å²	195	112.7 Å²	112.7	74%	0.739	58%	0.584	S	S	*	*	H	α-helix	trans	-67.8	-24.6	-178.6	-158.6	-77.9	0	0	0	114.1	Y689 T694 V695	Y689-W691 PolarHBondContact O-N 2.8Å; W691-T694 PolarHBondContact O-OG1 3.32Å; W691-V695 VanDerWaalsContact O-CG2 3.26Å; W691-V695 WeakPolarHBondContact O-CG2 3.41Å
692	N	37.1	Very low	36.9	Very low	105 Å²	105	112.3 Å²	112.3	56%	0.561	59%	0.585	S	S	*	*	H	α-helix	trans	-86.2	-34.1	177.7	-76	-76.1	0	0	0	112	A688 Y689 S690 I696	A688-N692 PolarHBondContact O-ND2 2.91Å; Y689-N692 PolarHBondContact O-N 3.4Å; Y689-N692 VanDerWaalsContact O-N 3.1Å; S690-N692 VanDerWaalsContact C-N 3.28Å; S690-N692 PolarHBondContact O-N 3.44Å; N692-I696 WeakPolarHBondContact O-CB 3.49Å; N692-I696 WeakPolarHBondContact O-CD1 3.18Å; N692-I696 VanDerWaalsContact O-CG1 3.24Å; N692-I696 WeakPolarHBondContact O-CG1 3.37Å; N692-I696 PolarHBondContact O-N 3.39Å; N692-I696 VanDerWaalsContact O-N 3.13Å
693	L	42.6	Very low	37.2	Very low	91 Å²	91	111 Å²	111	48%	0.476	58%	0.577	S	S	.	*	H	α-helix	trans	-66.1	-48	173.4	-76.7	167.9	0	0	0	111.2	Y689 S690 V695 I696 E697	Y689-L693 PolarHBondContact O-N 3.03Å; S690-L693 PolarHBondContact O-N 3.21Å; L693-V695 PolarHBondContact O-N 2.86Å; L693-I696 CarbonylContact O-C 3.57Å; L693-I696 WeakPolarHBondContact O-CA 3.42Å; L693-I696 WeakPolarHBondContact O-CB 3.36Å; L693-I696 PolarHBondContact O-N 3.44Å; L693-E697 WeakPolarHBondContact O-CB 3.15Å; L693-E697 WeakPolarHBondContact O-CG 3.42Å; L693-E697 PolarHBondContact O-N 3.34Å
694	T	37.3	Very low	37.4	Very low	63 Å²	63	112.6 Å²	112.6	39%	0.387	57%	0.573	S	S	.	*	H	α-helix	trans	-59.9	-43.2	177.4	52.1	0	0	0	0	112.5	S690 W691 I696 E697 D698	S690-T694 PolarHBondContact O-N 3.45Å; S690-T694 VanDerWaalsContact O-N 3.07Å; S690-T694 PolarHBondContact O-OG1 3.02Å; W691-T694 PolarHBondContact O-OG1 3.32Å; T694-I696 PolarHBondContact O-N 3.33Å; T694-E697 PolarHBondContact O-N 3.19Å; T694-E697 VanDerWaalsContact O-N 3.12Å; T694-D698 WeakPolarHBondContact O-CB 3.48Å; T694-D698 PolarHBondContact O-N 3.25Å
695	V	41.9	Very low	37.6	Very low	55 Å²	55	114.2 Å²	114.2	33%	0.333	57%	0.572	S	S	.	*	H	α-helix	trans	-68.2	-20.6	176.6	170.8	0	0	0	0	113.3	W691 L693 K699	W691-V695 VanDerWaalsContact O-CG2 3.26Å; W691-V695 WeakPolarHBondContact O-CG2 3.41Å; L693-V695 PolarHBondContact O-N 2.86Å; V695-K699 WeakPolarHBondContact O-CD 3.25Å; V695-K699 WeakPolarHBondContact O-CG 3.48Å
696	I	43.1	Very low	38.3	Very low	104 Å²	104	115.5 Å²	115.5	53%	0.533	57%	0.572	S	S	.	*	H	α-helix	trans	-82.6	-40.1	169.7	-72.4	167.7	0	0	0	110.4	N692 L693 T694 K699 K700	N692-I696 WeakPolarHBondContact O-CB 3.49Å; N692-I696 WeakPolarHBondContact O-CD1 3.18Å; N692-I696 VanDerWaalsContact O-CG1 3.24Å; N692-I696 WeakPolarHBondContact O-CG1 3.37Å; N692-I696 PolarHBondContact O-N 3.39Å; N692-I696 VanDerWaalsContact O-N 3.13Å; L693-I696 CarbonylContact O-C 3.57Å; L693-I696 WeakPolarHBondContact O-CA 3.42Å; L693-I696 WeakPolarHBondContact O-CB 3.36Å; L693-I696 PolarHBondContact O-N 3.44Å; T694-I696 PolarHBondContact O-N 3.33Å; I696-K699 PolarHBondContact O-N 3.01Å; I696-K700 WeakPolarHBondContact O-CB 3.42Å; I696-K700 PolarHBondContact O-N 2.9Å
697	E	37.3	Very low	39.1	Very low	101 Å²	101	113.5 Å²	113.5	47%	0.472	57%	0.565	S	S	.	*	H	α-helix	trans	-73.6	-41.4	-177.8	-70.9	-173.6	141.2	0	0	112.7	L693 T694 K699 K700 L701	L693-E697 WeakPolarHBondContact O-CB 3.15Å; L693-E697 WeakPolarHBondContact O-CG 3.42Å; L693-E697 PolarHBondContact O-N 3.34Å; T694-E697 PolarHBondContact O-N 3.19Å; T694-E697 VanDerWaalsContact O-N 3.12Å; E697-K699 VanDerWaalsContact C-N 3.28Å; E697-K699 PolarHBondContact O-N 3.22Å; E697-K700 CarbonylContact O-C 3.57Å; E697-K700 WeakPolarHBondContact O-CA 3.49Å; E697-K700 WeakPolarHBondContact O-CB 3.48Å; E697-K700 PolarHBondContact O-N 3.02Å; E697-L701 WeakPolarHBondContact O-CB 3.38Å; E697-L701 WeakPolarHBondContact O-CG 3.27Å; E697-L701 PolarHBondContact O-N 3.44Å
698	D	38.5	Very low	39.6	Very low	103 Å²	103	109.1 Å²	109.1	55%	0.551	54%	0.541	S	S	*	.	H	α-helix	trans	-54.2	-45.9	169.2	-76.7	-16.2	0	0	0	111	T694 K700 L701 E702	T694-D698 WeakPolarHBondContact O-CB 3.48Å; T694-D698 PolarHBondContact O-N 3.25Å; D698-K700 VanDerWaalsContact C-N 3.31Å; D698-K700 PolarHBondContact O-N 3.23Å; D698-L701 PolarHBondContact O-N 3.4Å; D698-E702 PolarHBondContact O-N 2.92Å
699	K	40.5	Very low	40.4	Very low	120 Å²	120	111.9 Å²	111.9	52%	0.522	54%	0.544	S	S	.	.	H	α-helix	trans	-70.2	-25.4	176.1	-77.8	177.6	-174	141.7	0	113.6	V695 I696 E697 L703	V695-K699 WeakPolarHBondContact O-CD 3.25Å; V695-K699 WeakPolarHBondContact O-CG 3.48Å; I696-K699 PolarHBondContact O-N 3.01Å; E697-K699 VanDerWaalsContact C-N 3.28Å; E697-K699 PolarHBondContact O-N 3.22Å; K699-L703 VanDerWaalsContact O-CB 3.23Å; K699-L703 WeakPolarHBondContact O-CB 3.43Å; K699-L703 WeakPolarHBondContact O-CD1 3.48Å; K699-L703 WeakPolarHBondContact O-CG 3.27Å; K699-L703 PolarHBondContact O-N 2.81Å; K699-L703 VanDerWaalsContact O-N 3.12Å
700	K	37.4	Very low	41.5	Very low	137 Å²	137	106.2 Å²	106.2	60%	0.596	52%	0.522	S	S	*	.	H	α-helix	trans	-83.1	-25.9	178.7	-170.8	179.3	175.8	-167.6	0	111.1	I696 E697 D698 L703 Q704	I696-K700 WeakPolarHBondContact O-CB 3.42Å; I696-K700 PolarHBondContact O-N 2.9Å; E697-K700 CarbonylContact O-C 3.57Å; E697-K700 WeakPolarHBondContact O-CA 3.49Å; E697-K700 WeakPolarHBondContact O-CB 3.48Å; E697-K700 PolarHBondContact O-N 3.02Å; D698-K700 VanDerWaalsContact C-N 3.31Å; D698-K700 PolarHBondContact O-N 3.23Å; K700-L703 CarbonylContact O-C 3.25Å; K700-Q704 PolarHBondContact O-N 3.34Å
701	L	37.8	Very low	42.7	Very low	111 Å²	111	109.9 Å²	109.9	58%	0.581	54%	0.535	S	S	*	.	H	α-helix	trans	-75.4	-46.9	167.3	-70	164.4	0	0	0	110.8	E697 D698 L703 Q704	E697-L701 WeakPolarHBondContact O-CB 3.38Å; E697-L701 WeakPolarHBondContact O-CG 3.27Å; E697-L701 PolarHBondContact O-N 3.44Å; D698-L701 PolarHBondContact O-N 3.4Å; L701-L703 PolarHBondContact O-N 3.21Å; L701-L703 VanDerWaalsContact O-N 3.08Å; L701-Q704 PolarHBondContact O-N 3.19Å
702	E	36.6	Very low	43.9	Very low	161 Å²	161	104.8 Å²	104.8	75%	0.752	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.5	168.6	-80.5	-162.4	133.1	0	0	113.2	D698	D698-E702 PolarHBondContact O-N 2.92Å
703	L	39.8	Very low	45.2	Very low	129 Å²	129	102.5 Å²	102.5	68%	0.675	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	13.6	176.5	-65.6	173.2	0	0	0	113.6	K699 K700 L701 E705	K699-L703 VanDerWaalsContact O-CB 3.23Å; K699-L703 WeakPolarHBondContact O-CB 3.43Å; K699-L703 WeakPolarHBondContact O-CD1 3.48Å; K699-L703 WeakPolarHBondContact O-CG 3.27Å; K699-L703 PolarHBondContact O-N 2.81Å; K699-L703 VanDerWaalsContact O-N 3.12Å; K700-L703 CarbonylContact O-C 3.25Å; L701-L703 PolarHBondContact O-N 3.21Å; L701-L703 VanDerWaalsContact O-N 3.08Å; L703-E705 VanDerWaalsContact C-N 3.33Å
704	Q	37.9	Very low	45.6	Very low	138 Å²	138	101 Å²	101	65%	0.645	52%	0.524	S	S	*	.			trans	-81	-18	172.6	-161.7	165.5	0.1	0	0	111.9	K700 L701 Q706	K700-Q704 PolarHBondContact O-N 3.34Å; L701-Q704 PolarHBondContact O-N 3.19Å; Q704-Q706 PolarHBondContact O-N 2.96Å
705	E	41.4	Very low	46.5	Very low	159 Å²	159	104 Å²	104	74%	0.743	53%	0.532	S	S	*	.	S	Bend	trans	-61.3	103.9	154.1	-70.9	-165.6	172.9	0	0	109.1	L703 P707	L703-E705 VanDerWaalsContact C-N 3.33Å; E705-P707 WeakPolarHBondContact O-CD 3.09Å; E705-P707 VanDerWaalsContact O-CG 3.3Å; E705-P707 WeakPolarHBondContact O-CG 3.06Å
706	Q	50.6	Low	46.8	Very low	95 Å²	95	103 Å²	103	44%	0.444	53%	0.529	S	S	.	.			trans	-79.7	96.9	170.2	-65.2	-171.9	17.3	0	0	108.4	Q704 Y708 A716	Q704-Q706 PolarHBondContact O-N 2.96Å; Q706-Y708 PolarHBondContact O-N 3.42Å; Q706-A716 HydrophobicContact CB-CB 3.74Å; Q706-A716 PolarHBondContact OE1-O 3.28Å
707	P	49	Very low	47.5	Very low	78 Å²	78	100.1 Å²	100.1	51%	0.506	51%	0.513	S	S	.	.			trans	-80.3	0.2	-158.1	-9.4	28	0	0	0	113.5	E705	E705-P707 WeakPolarHBondContact O-CD 3.09Å; E705-P707 VanDerWaalsContact O-CG 3.3Å; E705-P707 WeakPolarHBondContact O-CG 3.06Å
708	Y	45.9	Very low	47.7	Very low	91 Å²	91	98.6 Å²	98.6	36%	0.357	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	78.7	-169.1	-56.2	-64.5	0	0	0	108.4	Q706 F717	Q706-Y708 PolarHBondContact O-N 3.42Å; Y708-F717 PolarHBondContact O-N 3.15Å
709	Q	50.4	Low	48.1	Very low	120 Å²	120	100.9 Å²	100.9	56%	0.561	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	152.3	173.3	-57.1	-164.8	-4.8	0	0	111.3	K715 A716 L723	Q709-K715 CarbonylContact C-O 3.53Å; Q709-A716 HydrophobicContact CG-CB 3.93Å; Q709-L723 WeakPolarHBondContact O-CD1 3.43Å; Q709-L723 VanDerWaalsContact O-CD2 3.3Å; Q709-L723 WeakPolarHBondContact O-CD2 3.45Å
710	C	62	Low	48.1	Very low	1 Å²	1	97.7 Å²	97.7	1%	0.007	51%	0.508	C	S	.	.			trans	-98.4	104.4	175.8	-175	0	0	0	0	110.5	T712 C713 G714 K715 F717 L723 H726 Y727 H730	C710-T712 PolarHBondContact O-N 3.27Å; C710-C713 PolarHBondContact O-N 3.43Å; C710-G714 PolarHBondContact O-N 3.28Å; C710-K715 HydrophobicContact CB-CB 4.48Å; C710-K715 VanDerWaalsContact CB-O 3.31Å; C710-K715 WeakPolarHBondContact CB-O 3.28Å; C710-K715 PolarHBondContact N-O 3.03Å; C710-F717 HydrophobicContact CB-CE2 4.43Å; C710-L723 HydrophobicContact CB-CD1 3.58Å; C710-H726 VanDerWaalsContact SG-CD2 3.53Å; C710-Y727 WeakPolarHBondContact SG-CE1 3.34Å; C710-H730 PolarHBondContact SG-CD2 2.84Å; C710-H730 PolarHBondContact SG-NE2 2.95Å
711	D	58.3	Low	48.3	Very low	150 Å²	150	94.4 Å²	94.4	80%	0.802	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-23.8	-177.8	-48.3	-41.1	0	0	0	112.6	Y727	D711-Y727 WeakPolarHBondContact CB-OH 3.31Å; D711-Y727 PolarHBondContact N-OH 3.35Å; D711-Y727 PolarHBondContact OD2-OH 3.04Å
712	T	56.1	Low	49.1	Very low	88 Å²	88	92.1 Å²	92.1	54%	0.54	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-21.6	178.3	-38.5	0	0	0	0	114.9	C710 H730	C710-T712 PolarHBondContact O-N 3.27Å; T712-H730 HydrophobicContact CG2-CB 4.09Å
713	C	65.4	Low	50	Low	58 Å²	58	85.3 Å²	85.3	39%	0.392	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.7	20.2	-179	82.7	0	0	0	0	116.2	C710 K715 H726 H730	C710-C713 PolarHBondContact O-N 3.43Å; C713-K715 PolarHBondContact O-N 2.78Å; C713-H726 PolarHBondContact SG-NE2 3.15Å; C713-H730 VanDerWaalsContact SG-CE1 3.56Å
714	G	51.4	Low	50.5	Low	59 Å²	59	83 Å²	83	61%	0.608	45%	0.447	S	S	*	.			trans	67.3	-1.2	174.7	0	0	0	0	0	116.7	C710 A716	C710-G714 PolarHBondContact O-N 3.28Å; G714-A716 PolarHBondContact O-N 3.11Å
715	K	56.3	Low	51.2	Low	125 Å²	125	81 Å²	81	54%	0.543	44%	0.438	S	S	.	.			trans	-70.8	124.7	-178.7	-74	-179.6	-178.1	174.9	0	110.5	Q709 C710 C713 F717	Q709-K715 CarbonylContact C-O 3.53Å; C710-K715 HydrophobicContact CB-CB 4.48Å; C710-K715 VanDerWaalsContact CB-O 3.31Å; C710-K715 WeakPolarHBondContact CB-O 3.28Å; C710-K715 PolarHBondContact N-O 3.03Å; C713-K715 PolarHBondContact O-N 2.78Å; K715-F717 HydrophobicContact CB-CE2 3.75Å; K715-F717 HydrophobicContact CB-CZ 4.07Å; K715-F717 WeakPolarHBondContact O-CD2 3.49Å; K715-F717 VanDerWaalsContact O-CE2 3.28Å; K715-F717 WeakPolarHBondContact O-CE2 3.4Å
716	A	46.8	Very low	52.2	Low	34 Å²	34	74.6 Å²	74.6	28%	0.281	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	149.7	180	0	0	0	0	0	111.5	Q706 Q709 G714	Q706-A716 HydrophobicContact CB-CB 3.74Å; Q706-A716 PolarHBondContact OE1-O 3.28Å; Q709-A716 HydrophobicContact CG-CB 3.93Å; G714-A716 PolarHBondContact O-N 3.11Å
717	F	58	Low	52.2	Low	45 Å²	45	72.8 Å²	72.8	20%	0.197	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	143.9	-175.1	-62	-94.3	0	0	0	110.7	Y708 C710 K715 D722 L723 H726	Y708-F717 PolarHBondContact O-N 3.15Å; C710-F717 HydrophobicContact CB-CE2 4.43Å; K715-F717 HydrophobicContact CB-CE2 3.75Å; K715-F717 HydrophobicContact CB-CZ 4.07Å; K715-F717 WeakPolarHBondContact O-CD2 3.49Å; K715-F717 VanDerWaalsContact O-CE2 3.28Å; K715-F717 WeakPolarHBondContact O-CE2 3.4Å; F717-D722 HydrophobicContact CB-CB 4.46Å; F717-D722 HydrophobicContact CD1-CB 3.81Å; F717-D722 HydrophobicContact CG-CB 4.43Å; F717-L723 HydrophobicContact CB-CB 4.3Å; F717-L723 HydrophobicContact CD2-CB 4.01Å; F717-L723 HydrophobicContact CD2-CD1 3.94Å; F717-L723 HydrophobicContact CE2-CD1 4.17Å; F717-L723 HydrophobicContact CG-CB 4.26Å; F717-H726 HydrophobicContact CE1-CB 4.15Å; F717-H726 HydrophobicContact CE2-CB 4.02Å; F717-H726 AromaticContact CE2-CD2 3.34Å; F717-H726 WeakPolarHBondContact CE2-CD2 3.24Å; F717-H726 AromaticContact CE2-CG 3.89Å; F717-H726 HydrophobicContact CZ-CB 3.55Å; F717-H726 AromaticContact CZ-CD2 3.38Å; F717-H726 WeakPolarHBondContact CZ-CD2 3.46Å; F717-H726 AromaticContact CZ-CG 3.49Å; F717-H726 VanDerWaalsContact CZ-CG 3.49Å
718	S	41.8	Very low	52.4	Low	69 Å²	69	76.9 Å²	76.9	48%	0.483	40%	0.403	S	S	.	.	S	Bend	trans	-71.8	-28.1	173.8	47.3	0	0	0	0	113
719	Y	47.8	Very low	52.9	Low	151 Å²	151	75.9 Å²	75.9	59%	0.592	41%	0.406	S	S	*	.	S	Bend	trans	-127.1	138.1	-178.7	-55.9	-70.3	0	0	0	113.2	S721 D722 L723	Y719-S721 WeakPolarHBondContact CB-OG 3.2Å; Y719-S721 PolarHBondContact O-N 2.98Å; Y719-D722 WeakPolarHBondContact O-CB 3.28Å; Y719-D722 PolarHBondContact O-N 3.48Å; Y719-L723 PolarHBondContact O-N 2.92Å
720	S	40.3	Very low	53.1	Low	53 Å²	53	73.4 Å²	73.4	37%	0.371	39%	0.394	S	S	.	.	H	α-helix	trans	-66.2	-19.7	177.6	53.9	0	0	0	0	114.3	D722 I724	S720-D722 PolarHBondContact O-N 3.35Å; S720-I724 VanDerWaalsContact O-CB 3.31Å; S720-I724 WeakPolarHBondContact O-CB 3.49Å; S720-I724 WeakPolarHBondContact O-CD1 3.47Å; S720-I724 WeakPolarHBondContact O-CG1 3.44Å; S720-I724 PolarHBondContact O-N 2.99Å
721	S	41.5	Very low	52.4	Low	68 Å²	68	77 Å²	77	48%	0.476	42%	0.416	S	S	.	.	H	α-helix	trans	-58.2	-39.7	168	42.3	0	0	0	0	111.7	Y719 I724 Q725	Y719-S721 WeakPolarHBondContact CB-OG 3.2Å; Y719-S721 PolarHBondContact O-N 2.98Å; S721-I724 PolarHBondContact O-N 3.3Å; S721-Q725 WeakPolarHBondContact O-CB 3.45Å; S721-Q725 PolarHBondContact O-N 3.35Å
722	D	55	Low	51.8	Low	63 Å²	63	74.6 Å²	74.6	34%	0.337	42%	0.417	S	S	.	.	H	α-helix	trans	-86.9	-38.6	-165.9	-50.2	-7.3	0	0	0	108.9	F717 Y719 S720 Q725 H726	F717-D722 HydrophobicContact CB-CB 4.46Å; F717-D722 HydrophobicContact CD1-CB 3.81Å; F717-D722 HydrophobicContact CG-CB 4.43Å; Y719-D722 WeakPolarHBondContact O-CB 3.28Å; Y719-D722 PolarHBondContact O-N 3.48Å; S720-D722 PolarHBondContact O-N 3.35Å; D722-Q725 CarbonylContact O-C 3.5Å; D722-Q725 PolarHBondContact O-N 3.01Å; D722-H726 WeakPolarHBondContact O-CB 3.35Å; D722-H726 PolarHBondContact O-N 3.13Å
723	L	53.6	Low	50.9	Low	17 Å²	17	78.2 Å²	78.2	9%	0.089	43%	0.428	C	S	.	.	H	α-helix	trans	-57.7	-45.9	164.4	176.5	62.8	0	0	0	112	Q709 C710 F717 Y719 Q725 H726 Y727	Q709-L723 WeakPolarHBondContact O-CD1 3.43Å; Q709-L723 VanDerWaalsContact O-CD2 3.3Å; Q709-L723 WeakPolarHBondContact O-CD2 3.45Å; C710-L723 HydrophobicContact CB-CD1 3.58Å; F717-L723 HydrophobicContact CB-CB 4.3Å; F717-L723 HydrophobicContact CD2-CB 4.01Å; F717-L723 HydrophobicContact CD2-CD1 3.94Å; F717-L723 HydrophobicContact CE2-CD1 4.17Å; F717-L723 HydrophobicContact CG-CB 4.26Å; Y719-L723 PolarHBondContact O-N 2.92Å; L723-Q725 VanDerWaalsContact C-N 3.28Å; L723-Q725 PolarHBondContact O-N 3.28Å; L723-H726 CarbonylContact O-C 3.51Å; L723-H726 PolarHBondContact O-N 2.96Å; L723-H726 VanDerWaalsContact O-N 3.17Å; L723-Y727 HydrophobicContact CD1-CD2 3.84Å; L723-Y727 HydrophobicContact CD1-CE2 3.55Å; L723-Y727 HydrophobicContact CD2-CD2 4.47Å; L723-Y727 HydrophobicContact CD2-CE2 3.89Å; L723-Y727 HydrophobicContact CG-CD2 3.8Å; L723-Y727 HydrophobicContact CG-CE2 3.64Å; L723-Y727 PolarHBondContact O-N 3.25Å
724	I	51.3	Low	49.6	Very low	81 Å²	81	85.1 Å²	85.1	42%	0.415	45%	0.451	S	S	.	.	H	α-helix	trans	-66.3	-32.5	177.8	-71.7	167.7	0	0	0	111.4	S720 S721	S720-I724 VanDerWaalsContact O-CB 3.31Å; S720-I724 WeakPolarHBondContact O-CB 3.49Å; S720-I724 WeakPolarHBondContact O-CD1 3.47Å; S720-I724 WeakPolarHBondContact O-CG1 3.44Å; S720-I724 PolarHBondContact O-N 2.99Å; S721-I724 PolarHBondContact O-N 3.3Å
725	Q	52.5	Low	49.2	Very low	96 Å²	96	88 Å²	88	45%	0.449	46%	0.46	S	S	.	.	H	α-helix	trans	-72.3	-32.4	173.7	-171.8	132.6	32.5	0	0	112	S721 D722 L723	S721-Q725 WeakPolarHBondContact O-CB 3.45Å; S721-Q725 PolarHBondContact O-N 3.35Å; D722-Q725 CarbonylContact O-C 3.5Å; D722-Q725 PolarHBondContact O-N 3.01Å; L723-Q725 VanDerWaalsContact C-N 3.28Å; L723-Q725 PolarHBondContact O-N 3.28Å
726	H	61.4	Low	48.5	Very low	24 Å²	24	91.5 Å²	91.5	11%	0.111	48%	0.478	C	S	.	.	H	α-helix	trans	-76.1	-35.4	174.4	177	43.1	0	0	0	113.4	C710 C713 F717 D722 L723 R728 T729 H730	C710-H726 VanDerWaalsContact SG-CD2 3.53Å; C713-H726 PolarHBondContact SG-NE2 3.15Å; F717-H726 HydrophobicContact CE1-CB 4.15Å; F717-H726 HydrophobicContact CE2-CB 4.02Å; F717-H726 AromaticContact CE2-CD2 3.34Å; F717-H726 WeakPolarHBondContact CE2-CD2 3.24Å; F717-H726 AromaticContact CE2-CG 3.89Å; F717-H726 HydrophobicContact CZ-CB 3.55Å; F717-H726 AromaticContact CZ-CD2 3.38Å; F717-H726 WeakPolarHBondContact CZ-CD2 3.46Å; F717-H726 AromaticContact CZ-CG 3.49Å; F717-H726 VanDerWaalsContact CZ-CG 3.49Å; D722-H726 WeakPolarHBondContact O-CB 3.35Å; D722-H726 PolarHBondContact O-N 3.13Å; L723-H726 CarbonylContact O-C 3.51Å; L723-H726 PolarHBondContact O-N 2.96Å; L723-H726 VanDerWaalsContact O-N 3.17Å; H726-R728 PolarHBondContact O-N 3.1Å; H726-R728 VanDerWaalsContact O-N 3.13Å; H726-T729 PolarHBondContact CE1-OG1 3.32Å; H726-T729 PolarHBondContact ND1-OG1 2.87Å; H726-T729 PolarHBondContact O-N 3.24Å; H726-T729 PolarHBondContact O-OG1 3.36Å; H726-H730 AromaticContact CD2-NE2 3.91Å; H726-H730 AromaticContact CE1-CE1 3.67Å; H726-H730 AromaticContact CE1-NE2 3.18Å; H726-H730 PolarHBondContact CE1-NE2 3.17Å; H726-H730 AromaticContact NE2-CE1 3.9Å; H726-H730 AromaticContact NE2-NE2 3.09Å; H726-H730 PolarHBondContact NE2-NE2 3.4Å
727	Y	50.7	Low	47.9	Very low	58 Å²	58	97.1 Å²	97.1	23%	0.227	50%	0.496	C	S	.	.	H	α-helix	trans	-58	-29.7	173.4	-89.3	-54.3	0	0	0	112.5	C710 D711 L723 T729 H730 T731	C710-Y727 WeakPolarHBondContact SG-CE1 3.34Å; D711-Y727 WeakPolarHBondContact CB-OH 3.31Å; D711-Y727 PolarHBondContact N-OH 3.35Å; D711-Y727 PolarHBondContact OD2-OH 3.04Å; L723-Y727 HydrophobicContact CD1-CD2 3.84Å; L723-Y727 HydrophobicContact CD1-CE2 3.55Å; L723-Y727 HydrophobicContact CD2-CD2 4.47Å; L723-Y727 HydrophobicContact CD2-CE2 3.89Å; L723-Y727 HydrophobicContact CG-CD2 3.8Å; L723-Y727 HydrophobicContact CG-CE2 3.64Å; L723-Y727 PolarHBondContact O-N 3.25Å; Y727-T729 PolarHBondContact O-N 3.06Å; Y727-H730 PolarHBondContact O-N 3.02Å; Y727-T731 PolarHBondContact O-N 3.18Å; Y727-T731 PolarHBondContact O-OG1 3.05Å
728	R	54.1	Low	47.1	Very low	164 Å²	164	96.9 Å²	96.9	62%	0.619	50%	0.499	S	S	*	.	H	α-helix	trans	-72.7	0.1	172	-63	169.7	176.8	160.7	-1.4	114.9	H726	H726-R728 PolarHBondContact O-N 3.1Å; H726-R728 VanDerWaalsContact O-N 3.13Å
729	T	55.4	Low	47	Very low	70 Å²	70	100.9 Å²	100.9	43%	0.429	52%	0.515	S	S	.	.	H	α-helix	trans	-94.1	-14.9	164.6	67.4	0	0	0	0	112.3	H726 Y727	H726-T729 PolarHBondContact CE1-OG1 3.32Å; H726-T729 PolarHBondContact ND1-OG1 2.87Å; H726-T729 PolarHBondContact O-N 3.24Å; H726-T729 PolarHBondContact O-OG1 3.36Å; Y727-T729 PolarHBondContact O-N 3.06Å
730	H	56.4	Low	46.8	Very low	68 Å²	68	97.6 Å²	97.6	32%	0.315	52%	0.52	S	S	.	.	H	α-helix	trans	-94.7	-39.7	174.7	-60.1	-54.3	0	0	0	111.9	C710 T712 C713 H726 Y727 A732	C710-H730 PolarHBondContact SG-CD2 2.84Å; C710-H730 PolarHBondContact SG-NE2 2.95Å; T712-H730 HydrophobicContact CG2-CB 4.09Å; C713-H730 VanDerWaalsContact SG-CE1 3.56Å; H726-H730 AromaticContact CD2-NE2 3.91Å; H726-H730 AromaticContact CE1-CE1 3.67Å; H726-H730 AromaticContact CE1-NE2 3.18Å; H726-H730 PolarHBondContact CE1-NE2 3.17Å; H726-H730 AromaticContact NE2-CE1 3.9Å; H726-H730 AromaticContact NE2-NE2 3.09Å; H726-H730 PolarHBondContact NE2-NE2 3.4Å; Y727-H730 PolarHBondContact O-N 3.02Å; H730-A732 PolarHBondContact O-N 2.82Å
731	T	46.9	Very low	47	Very low	76 Å²	76	97.7 Å²	97.7	47%	0.466	52%	0.52	S	S	.	.	S	Bend	trans	-79.1	116	171	54.3	0	0	0	0	110.6	Y727 E733	Y727-T731 PolarHBondContact O-N 3.18Å; Y727-T731 PolarHBondContact O-OG1 3.05Å; T731-E733 PolarHBondContact O-N 3.48Å
732	A	44.3	Very low	47.1	Very low	99 Å²	99	104.4 Å²	104.4	82%	0.818	53%	0.534	S	S	*	.			trans	-74.2	27.5	-174.7	0	0	0	0	0	115.2	H730 K734	H730-A732 PolarHBondContact O-N 2.82Å; A732-K734 PolarHBondContact O-N 3.08Å
733	E	38.2	Very low	46	Very low	164 Å²	164	108 Å²	108	77%	0.766	55%	0.554	S	S	*	*			trans	-77.1	101.7	177.8	-66.8	-169.8	149.4	0	0	110.8	T731 P735	T731-E733 PolarHBondContact O-N 3.48Å; E733-P735 WeakPolarHBondContact O-CD 3.43Å
734	K	38.9	Very low	45.5	Very low	204 Å²	204	112 Å²	112	89%	0.887	58%	0.583	S	S	*	*			trans	-63	115.1	-179.6	-66.6	176.6	-179.9	174.3	0	112	A732	A732-K734 PolarHBondContact O-N 3.08Å
735	P	41.5	Very low	44.5	Very low	120 Å²	120	112.6 Å²	112.6	78%	0.779	60%	0.6	S	S	*	*			trans	-73.7	154.2	169.2	-13	31.7	0	0	0	110.9	E733	E733-P735 WeakPolarHBondContact O-CD 3.43Å
736	Q	42.8	Very low	43.7	Very low	198 Å²	198	111.3 Å²	111.3	93%	0.925	61%	0.612	S	S	*	*			trans	-43.5	145.1	-167.3	-62	-177.3	-61.8	0	0	117.3
737	K	34.2	Very low	42.9	Very low	152 Å²	152	118.2 Å²	118.2	66%	0.661	65%	0.645	S	S	*	*			trans	-62.6	155.4	169.1	-61.5	-177.9	179.9	-177.5	0	111.3
738	C	39.9	Very low	42.1	Very low	40 Å²	40	119.6 Å²	119.6	27%	0.27	66%	0.662	S	S	.	*			trans	-91.3	116.1	165.4	-178	0	0	0	0	109.6	A740 C741 R742	C738-A740 PolarHBondContact O-N 3.05Å; C738-A740 VanDerWaalsContact O-N 3.16Å; C738-C741 PolarHBondContact O-N 2.8Å; C738-R742 PolarHBondContact O-N 3.11Å
739	D	40	Very low	41.2	Very low	152 Å²	152	115.7 Å²	115.7	81%	0.813	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-22.2	-175.7	-61.4	-57	0	0	0	113.7
740	A	43.5	Very low	40.4	Very low	83 Å²	83	117.3 Å²	117.3	69%	0.686	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-16.3	-179.2	0	0	0	0	0	114.8	C738	C738-A740 PolarHBondContact O-N 3.05Å; C738-A740 VanDerWaalsContact O-N 3.16Å
741	C	44.8	Very low	39.9	Very low	55 Å²	55	119 Å²	119	37%	0.372	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-133.8	-14.9	-178.2	58	0	0	0	0	115.4	C738 D743	C738-C741 PolarHBondContact O-N 2.8Å; C741-D743 PolarHBondContact O-N 3.22Å
742	R	43.4	Very low	39.7	Very low	209 Å²	209	123.7 Å²	123.7	79%	0.789	69%	0.689	S	S	*	*			trans	57.3	-15.8	177.7	-79.4	-173.7	168.5	-171.2	-2.9	118.2	C738	C738-R742 PolarHBondContact O-N 3.11Å
743	D	32.4	Very low	39.7	Very low	139 Å²	139	121.6 Å²	121.6	74%	0.743	66%	0.663	S	S	*	*			trans	-71.4	148.7	-178.6	-102.7	-39.9	0	0	0	114.2	C741 A745	C741-D743 PolarHBondContact O-N 3.22Å; D743-A745 PolarHBondContact O-N 3.47Å
744	S	41.9	Very low	40.1	Very low	100 Å²	100	117.7 Å²	117.7	70%	0.699	64%	0.644	S	S	*	*			trans	-99.5	53.4	-174.2	-61.7	0	0	0	0	112.8	G746	S744-G746 PolarHBondContact O-N 3.25Å
745	A	30.7	Very low	40.4	Very low	93 Å²	93	114 Å²	114	77%	0.769	63%	0.63	S	S	*	*			trans	-66.5	119.8	175.6	0	0	0	0	0	111.2	D743	D743-A745 PolarHBondContact O-N 3.47Å
746	G	36.9	Very low	40.6	Very low	69 Å²	69	114.9 Å²	114.9	71%	0.711	62%	0.622	S	S	*	*			trans	-74.5	152.7	-171.9	0	0	0	0	0	115.4	S744	S744-G746 PolarHBondContact O-N 3.25Å
747	Q	44.6	Very low	40.8	Very low	169 Å²	169	109.7 Å²	109.7	79%	0.79	60%	0.599	S	S	*	*			trans	44.9	79	156.3	-62.7	-177.9	-8.8	0	0	117.2
748	C	33.5	Very low	41.2	Very low	87 Å²	87	105.1 Å²	105.1	59%	0.588	59%	0.586	S	S	*	*			trans	-146	132.3	160.6	-162.5	0	0	0	0	111.9	H750	C748-H750 PolarHBondContact O-N 3.36Å; C748-H750 VanDerWaalsContact O-N 3.14Å
749	P	34.9	Very low	41.3	Very low	83 Å²	83	108.6 Å²	108.6	54%	0.539	61%	0.606	S	S	.	*	S	Bend	trans	-72.8	-2.2	-179	29.6	-35.3	0	0	0	114.2	T751	P749-T751 VanDerWaalsContact C-N 3.33Å; P749-T751 PolarHBondContact O-N 3.36Å
750	H	38.9	Very low	41.4	Very low	104 Å²	104	104.6 Å²	104.6	48%	0.481	59%	0.59	S	S	.	*			trans	-88	33.4	-171.1	-75.4	-98.2	0	0	0	114.6	C748 K752 Q753 H754	C748-H750 PolarHBondContact O-N 3.36Å; C748-H750 VanDerWaalsContact O-N 3.14Å; H750-K752 VanDerWaalsContact C-N 3.33Å; H750-K752 PolarHBondContact O-N 3.48Å; H750-Q753 HydrophobicContact CB-CB 4.17Å; H750-Q753 PolarHBondContact ND1-OE1 3.29Å; H750-Q753 CarbonylContact O-C 3.24Å; H750-Q753 WeakPolarHBondContact O-CA 3.43Å; H750-Q753 WeakPolarHBondContact O-CB 3.49Å; H750-Q753 PolarHBondContact O-N 3.32Å; H750-H754 PolarHBondContact O-N 2.95Å
751	T	45	Very low	41.9	Very low	102 Å²	102	103.9 Å²	103.9	63%	0.626	59%	0.59	S	S	*	*	H	α-helix	trans	-56.1	-41.4	-176.7	52.8	0	0	0	0	113.6	P749 Q753 H754 Q755	P749-T751 VanDerWaalsContact C-N 3.33Å; P749-T751 PolarHBondContact O-N 3.36Å; T751-Q753 PolarHBondContact O-N 3.32Å; T751-H754 PolarHBondContact O-N 3.45Å; T751-Q755 WeakPolarHBondContact O-CB 3.49Å; T751-Q755 PolarHBondContact O-N 3.18Å
752	K	43.6	Very low	42.1	Very low	175 Å²	175	109.1 Å²	109.1	76%	0.761	61%	0.607	S	S	*	*	H	α-helix	trans	-60.9	-23.8	173.3	-72.3	-176.1	176.7	177.7	0	114.2	H750 K756	H750-K752 VanDerWaalsContact C-N 3.33Å; H750-K752 PolarHBondContact O-N 3.48Å; K752-K756 PolarHBondContact O-N 2.92Å
753	Q	43.4	Very low	42.6	Very low	56 Å²	56	102.9 Å²	102.9	26%	0.262	60%	0.595	S	S	.	*	H	α-helix	trans	-94.2	-35.1	179.9	-169.1	171.6	-5	0	0	111.4	H750 T751 Q755 K756 I757 L775	H750-Q753 HydrophobicContact CB-CB 4.17Å; H750-Q753 PolarHBondContact ND1-OE1 3.29Å; H750-Q753 CarbonylContact O-C 3.24Å; H750-Q753 WeakPolarHBondContact O-CA 3.43Å; H750-Q753 WeakPolarHBondContact O-CB 3.49Å; H750-Q753 PolarHBondContact O-N 3.32Å; T751-Q753 PolarHBondContact O-N 3.32Å; Q753-Q755 VanDerWaalsContact C-N 3.26Å; Q753-Q755 PolarHBondContact O-N 2.77Å; Q753-K756 WeakPolarHBondContact O-CB 3.31Å; Q753-K756 PolarHBondContact O-N 2.94Å; Q753-I757 HydrophobicContact CG-CD1 4.47Å; Q753-I757 WeakPolarHBondContact O-CD1 3.34Å; Q753-I757 VanDerWaalsContact O-CG1 3.24Å; Q753-I757 WeakPolarHBondContact O-CG1 3.48Å; Q753-I757 PolarHBondContact O-N 3.29Å; Q753-L775 VanDerWaalsContact NE2-CD2 3.35Å; Q753-L775 VanDerWaalsContact NE2-CG 3.31Å
754	H	48.1	Very low	44	Very low	81 Å²	81	99.4 Å²	99.4	38%	0.375	58%	0.575	S	S	.	*	H	α-helix	trans	-58.2	-41.3	164.4	-174.4	-15.3	0	0	0	110.8	H750 T751 K756 I757 C758	H750-H754 PolarHBondContact O-N 2.95Å; T751-H754 PolarHBondContact O-N 3.45Å; H754-K756 PolarHBondContact O-N 3.28Å; H754-I757 CarbonylContact O-C 3.59Å; H754-I757 WeakPolarHBondContact O-CA 3.41Å; H754-I757 WeakPolarHBondContact O-CB 3.31Å; H754-I757 PolarHBondContact O-N 2.64Å; H754-C758 PolarHBondContact CE1-SG 3.01Å; H754-C758 PolarHBondContact ND1-SG 2.83Å; H754-C758 VanDerWaalsContact ND1-SG 3.42Å; H754-C758 PolarHBondContact O-N 2.78Å
755	Q	44.4	Very low	45	Very low	126 Å²	126	100.4 Å²	100.4	59%	0.589	57%	0.568	S	S	*	*	H	α-helix	trans	-61.8	-44.5	175.9	-160.6	169.1	24.1	0	0	111.3	T751 Q753 I757 C758 T759	T751-Q755 WeakPolarHBondContact O-CB 3.49Å; T751-Q755 PolarHBondContact O-N 3.18Å; Q753-Q755 VanDerWaalsContact C-N 3.26Å; Q753-Q755 PolarHBondContact O-N 2.77Å; Q755-I757 VanDerWaalsContact C-N 3.32Å; Q755-I757 PolarHBondContact O-N 2.85Å; Q755-C758 PolarHBondContact O-N 3.46Å; Q755-T759 PolarHBondContact O-N 2.74Å; Q755-T759 PolarHBondContact O-OG1 3.06Å
756	K	45.3	Very low	46.6	Very low	140 Å²	140	96 Å²	96	61%	0.609	53%	0.532	S	S	*	.	H	α-helix	trans	-58.4	-39.3	169	-81.4	-170	170.2	-167	0	113.2	K752 Q753 H754 C758 T759 S760	K752-K756 PolarHBondContact O-N 2.92Å; Q753-K756 WeakPolarHBondContact O-CB 3.31Å; Q753-K756 PolarHBondContact O-N 2.94Å; H754-K756 PolarHBondContact O-N 3.28Å; K756-C758 VanDerWaalsContact C-N 3.29Å; K756-C758 PolarHBondContact O-N 2.73Å; K756-T759 PolarHBondContact O-N 3.49Å; K756-S760 PolarHBondContact O-N 2.91Å; K756-S760 PolarHBondContact O-OG 3.13Å
757	I	46.6	Very low	47.8	Very low	89 Å²	89	100 Å²	100	46%	0.456	54%	0.537	S	S	.	.	H	α-helix	trans	-66.6	-31.1	178.5	-71.3	162.1	0	0	0	111.6	Q753 H754 Q755	Q753-I757 HydrophobicContact CG-CD1 4.47Å; Q753-I757 WeakPolarHBondContact O-CD1 3.34Å; Q753-I757 VanDerWaalsContact O-CG1 3.24Å; Q753-I757 WeakPolarHBondContact O-CG1 3.48Å; Q753-I757 PolarHBondContact O-N 3.29Å; H754-I757 CarbonylContact O-C 3.59Å; H754-I757 WeakPolarHBondContact O-CA 3.41Å; H754-I757 WeakPolarHBondContact O-CB 3.31Å; H754-I757 PolarHBondContact O-N 2.64Å; Q755-I757 VanDerWaalsContact C-N 3.32Å; Q755-I757 PolarHBondContact O-N 2.85Å
758	C	42.2	Very low	48.8	Very low	56 Å²	56	97.1 Å²	97.1	38%	0.378	52%	0.523	S	S	.	.	H	α-helix	trans	-80.2	-27.6	173.8	-71.1	0	0	0	0	114	H754 Q755 K756	H754-C758 PolarHBondContact CE1-SG 3.01Å; H754-C758 PolarHBondContact ND1-SG 2.83Å; H754-C758 VanDerWaalsContact ND1-SG 3.42Å; H754-C758 PolarHBondContact O-N 2.78Å; Q755-C758 PolarHBondContact O-N 3.46Å; K756-C758 VanDerWaalsContact C-N 3.29Å; K756-C758 PolarHBondContact O-N 2.73Å
759	T	42.6	Very low	50.5	Low	113 Å²	113	96 Å²	96	69%	0.693	52%	0.516	S	S	*	.	H	α-helix	trans	-118.2	7.2	-172	73.5	0	0	0	0	115.2	Q755 K756	Q755-T759 PolarHBondContact O-N 2.74Å; Q755-T759 PolarHBondContact O-OG1 3.06Å; K756-T759 PolarHBondContact O-N 3.49Å
760	S	43.1	Very low	51.5	Low	68 Å²	68	93.9 Å²	93.9	48%	0.476	51%	0.509	S	S	.	.	S	Bend	trans	-148.9	141.1	175.2	60	0	0	0	0	112	K756	K756-S760 PolarHBondContact O-N 2.91Å; K756-S760 PolarHBondContact O-OG 3.13Å
761	G	52.8	Low	52.5	Low	67 Å²	67	96.7 Å²	96.7	69%	0.691	52%	0.515	S	S	*	.			trans	-65.6	166.9	-173.5	0	0	0	0	0	114.7	S763	G761-S763 PolarHBondContact O-N 3.48Å
762	K	49.6	Very low	52.9	Low	165 Å²	165	92.9 Å²	92.9	72%	0.717	50%	0.496	S	S	*	.			trans	-57.6	96.3	-179.5	-63.3	165.3	-177.4	168.7	0	110.8	H764	K762-H764 VanDerWaalsContact C-N 3.32Å; K762-H764 PolarHBondContact O-N 2.82Å
763	S	53.5	Low	53.9	Low	79 Å²	79	86.2 Å²	86.2	55%	0.552	47%	0.467	S	S	*	.			trans	-78.2	-7.9	-167	61.5	0	0	0	0	115.7	G761 F773	G761-S763 PolarHBondContact O-N 3.48Å; S763-F773 PolarHBondContact N-O 3.34Å
764	H	61.4	Low	54.2	Low	66 Å²	66	86 Å²	86	31%	0.306	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	110.5	-179	-56.4	-57.1	0	0	0	110.4	K762 F773 K776 L779	K762-H764 VanDerWaalsContact C-N 3.32Å; K762-H764 PolarHBondContact O-N 2.82Å; H764-F773 PolarHBondContact N-O 2.87Å; H764-F773 VanDerWaalsContact N-O 3.14Å; H764-F773 PolarHBondContact O-N 2.86Å; H764-K776 PolarHBondContact CD2-N 3.01Å; H764-K776 VanDerWaalsContact CD2-N 3.32Å; H764-L779 HydrophobicContact CB-CB 4.29Å; H764-L779 HydrophobicContact CB-CD2 3.82Å
765	Q	62.8	Low	54.7	Low	121 Å²	121	84.7 Å²	84.7	57%	0.565	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	144.8	-178.6	-160.8	169.6	10.4	0	0	111.1	G770 L779	Q765-G770 VanDerWaalsContact CG-O 3.3Å; Q765-G770 WeakPolarHBondContact CG-O 3.22Å; Q765-G770 PolarHBondContact NE2-O 3.27Å; Q765-L779 WeakPolarHBondContact O-CD2 3.33Å
766	C	64.8	Low	55.3	Low	0 Å²	0	85.6 Å²	85.6	0%	0	47%	0.47	C	S	.	.			trans	-81.3	118.8	168.9	175.7	0	0	0	0	109.5	E768 G770 R771 F773 L779 H786	C766-E768 PolarHBondContact O-N 3.12Å; C766-G770 VanDerWaalsContact O-CA 3.27Å; C766-G770 WeakPolarHBondContact O-CA 3.44Å; C766-G770 PolarHBondContact O-N 3.08Å; C766-R771 PolarHBondContact N-O 3.38Å; C766-F773 HydrophobicContact CB-CE2 4.39Å; C766-L779 HydrophobicContact CB-CD1 3.56Å; C766-H786 PolarHBondContact SG-NE2 3.32Å; C766-H786 VanDerWaalsContact SG-NE2 3.43Å
767	N	63.4	Low	55.9	Low	154 Å²	154	82.2 Å²	82.2	82%	0.824	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.4	-177	-61.8	-1.6	0	0	0	112.7
768	E	64.1	Low	56.7	Low	108 Å²	108	82.2 Å²	82.2	51%	0.505	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-22.2	-173.9	-62.9	150.7	121	0	0	113.5	C766 H786	C766-E768 PolarHBondContact O-N 3.12Å; E768-H786 IonicContact OE2-CD2 3.33Å; E768-H786 PolarHBondContact OE2-CD2 3.48Å; E768-H786 IonicContact OE2-CG 3.98Å
769	C	69.1	Low	58	Low	63 Å²	63	80.3 Å²	80.3	43%	0.426	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.3	8.6	-177.5	72.5	0	0	0	0	114.9	R771 H782 H786	C769-R771 PolarHBondContact O-N 2.9Å; C769-H782 PolarHBondContact SG-NE2 3.27Å; C769-H786 PolarHBondContact SG-NE2 3.33Å; C769-H786 VanDerWaalsContact SG-NE2 3.42Å
770	G	57.8	Low	58.9	Low	39 Å²	39	77.5 Å²	77.5	40%	0.402	43%	0.432	S	S	.	.			trans	67.2	1	179.4	0	0	0	0	0	115.9	Q765 C766 G772	Q765-G770 VanDerWaalsContact CG-O 3.3Å; Q765-G770 WeakPolarHBondContact CG-O 3.22Å; Q765-G770 PolarHBondContact NE2-O 3.27Å; C766-G770 VanDerWaalsContact O-CA 3.27Å; C766-G770 WeakPolarHBondContact O-CA 3.44Å; C766-G770 PolarHBondContact O-N 3.08Å; G770-G772 PolarHBondContact O-N 2.86Å
771	R	59.9	Low	59.9	Low	162 Å²	162	78 Å²	78	61%	0.611	43%	0.427	S	S	*	.			trans	-71.6	122.4	-174.7	-162.9	168.4	-172.8	163.1	3.8	111.4	C766 C769 F773	C766-R771 PolarHBondContact N-O 3.38Å; C769-R771 PolarHBondContact O-N 2.9Å; R771-F773 HydrophobicContact CB-CE2 3.93Å; R771-F773 HydrophobicContact CB-CZ 4.19Å; R771-F773 HydrophobicContact CG-CE2 3.91Å; R771-F773 HydrophobicContact CG-CZ 3.75Å; R771-F773 VanDerWaalsContact O-CD2 3.3Å; R771-F773 WeakPolarHBondContact O-CD2 3.27Å; R771-F773 WeakPolarHBondContact O-CE2 3.26Å
772	G	52.3	Low	60.7	Low	22 Å²	22	75.8 Å²	75.8	23%	0.227	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136	-177.2	0	0	0	0	0	114.3	G770	G770-G772 PolarHBondContact O-N 2.86Å
773	F	65.4	Low	61.6	Low	35 Å²	35	70.9 Å²	70.9	15%	0.154	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	153.1	-176.1	-60.4	-89.7	0	0	0	111.8	S763 H764 C766 R771 H778 L779 H782	S763-F773 PolarHBondContact N-O 3.34Å; H764-F773 PolarHBondContact N-O 2.87Å; H764-F773 VanDerWaalsContact N-O 3.14Å; H764-F773 PolarHBondContact O-N 2.86Å; C766-F773 HydrophobicContact CB-CE2 4.39Å; R771-F773 HydrophobicContact CB-CE2 3.93Å; R771-F773 HydrophobicContact CB-CZ 4.19Å; R771-F773 HydrophobicContact CG-CE2 3.91Å; R771-F773 HydrophobicContact CG-CZ 3.75Å; R771-F773 VanDerWaalsContact O-CD2 3.3Å; R771-F773 WeakPolarHBondContact O-CD2 3.27Å; R771-F773 WeakPolarHBondContact O-CE2 3.26Å; F773-H778 HydrophobicContact CB-CB 4.4Å; F773-H778 HydrophobicContact CD1-CB 3.91Å; F773-H778 HydrophobicContact CG-CB 4.43Å; F773-L779 HydrophobicContact CB-CB 4.34Å; F773-L779 HydrophobicContact CD2-CB 4.04Å; F773-L779 HydrophobicContact CD2-CD1 3.99Å; F773-L779 HydrophobicContact CE2-CD1 4.2Å; F773-L779 HydrophobicContact CG-CB 4.33Å; F773-H782 HydrophobicContact CE1-CB 4.01Å; F773-H782 HydrophobicContact CE2-CB 3.96Å; F773-H782 AromaticContact CE2-CD2 3.32Å; F773-H782 WeakPolarHBondContact CE2-CD2 3.5Å; F773-H782 AromaticContact CE2-CG 3.73Å; F773-H782 HydrophobicContact CZ-CB 3.47Å; F773-H782 VanDerWaalsContact CZ-CB 3.47Å; F773-H782 AromaticContact CZ-CD2 3.36Å; F773-H782 WeakPolarHBondContact CZ-CD2 3.2Å; F773-H782 AromaticContact CZ-CG 3.29Å; F773-H782 AromaticContact CZ-ND1 3.99Å
774	S	49	Very low	62.4	Low	51 Å²	51	70.7 Å²	70.7	36%	0.357	37%	0.365	S	S	.	.	S	Bend	trans	-88.7	-0.9	176	52.9	0	0	0	0	114.3
775	L	57.5	Low	62.4	Low	54 Å²	54	72.3 Å²	72.3	28%	0.283	38%	0.375	S	S	.	.			trans	-146.5	132.6	-175.9	-98.1	173.7	0	0	0	110.3	Q753 S777 H778 L779	Q753-L775 VanDerWaalsContact NE2-CD2 3.35Å; Q753-L775 VanDerWaalsContact NE2-CG 3.31Å; L775-S777 PolarHBondContact O-N 3.5Å; L775-H778 HydrophobicContact CB-CB 4.17Å; L775-H778 PolarHBondContact O-N 3.1Å; L775-H778 VanDerWaalsContact O-N 3.15Å; L775-L779 PolarHBondContact O-N 3.18Å; L775-L779 VanDerWaalsContact O-N 3.08Å
776	K	58.8	Low	62.7	Low	146 Å²	146	70.2 Å²	70.2	64%	0.635	37%	0.366	S	S	*	.	H	α-helix	trans	-60.6	-34.9	175.3	-169.9	176.7	-179.6	-178.4	0	111.9	H764 H778 L779 S780	H764-K776 PolarHBondContact CD2-N 3.01Å; H764-K776 VanDerWaalsContact CD2-N 3.32Å; K776-H778 PolarHBondContact O-N 3.23Å; K776-L779 PolarHBondContact O-N 3.41Å; K776-S780 PolarHBondContact O-N 2.97Å; K776-S780 PolarHBondContact O-OG 3.45Å
777	S	57	Low	62.6	Low	68 Å²	68	73.7 Å²	73.7	48%	0.476	39%	0.387	S	S	.	.	H	α-helix	trans	-62.3	-40	174.2	50.9	0	0	0	0	113.3	L775 S780 Q781	L775-S777 PolarHBondContact O-N 3.5Å; S777-S780 PolarHBondContact O-N 3.01Å; S777-Q781 WeakPolarHBondContact O-CB 3.31Å; S777-Q781 PolarHBondContact O-N 3.24Å
778	H	62.8	Low	62.6	Low	89 Å²	89	68.7 Å²	68.7	41%	0.412	37%	0.372	S	S	.	.	H	α-helix	trans	-71.2	-35.3	176.2	-65.6	174.8	0	0	0	111.8	F773 L775 K776 H782	F773-H778 HydrophobicContact CB-CB 4.4Å; F773-H778 HydrophobicContact CD1-CB 3.91Å; F773-H778 HydrophobicContact CG-CB 4.43Å; L775-H778 HydrophobicContact CB-CB 4.17Å; L775-H778 PolarHBondContact O-N 3.1Å; L775-H778 VanDerWaalsContact O-N 3.15Å; K776-H778 PolarHBondContact O-N 3.23Å; H778-H782 VanDerWaalsContact O-CB 3.29Å; H778-H782 WeakPolarHBondContact O-CB 3.36Å; H778-H782 PolarHBondContact O-N 3.2Å
779	L	69.5	Low	62.5	Low	17 Å²	17	68 Å²	68	9%	0.089	37%	0.368	C	S	.	.	H	α-helix	trans	-60.7	-51.5	169.6	171.1	58.5	0	0	0	110.7	H764 Q765 C766 F773 L775 K776 Q781 H782 Q783	H764-L779 HydrophobicContact CB-CB 4.29Å; H764-L779 HydrophobicContact CB-CD2 3.82Å; Q765-L779 WeakPolarHBondContact O-CD2 3.33Å; C766-L779 HydrophobicContact CB-CD1 3.56Å; F773-L779 HydrophobicContact CB-CB 4.34Å; F773-L779 HydrophobicContact CD2-CB 4.04Å; F773-L779 HydrophobicContact CD2-CD1 3.99Å; F773-L779 HydrophobicContact CE2-CD1 4.2Å; F773-L779 HydrophobicContact CG-CB 4.33Å; L775-L779 PolarHBondContact O-N 3.18Å; L775-L779 VanDerWaalsContact O-N 3.08Å; K776-L779 PolarHBondContact O-N 3.41Å; L779-Q781 VanDerWaalsContact C-N 3.33Å; L779-Q781 PolarHBondContact O-N 3.11Å; L779-H782 CarbonylContact O-C 3.39Å; L779-H782 WeakPolarHBondContact O-CA 3.49Å; L779-H782 WeakPolarHBondContact O-CB 3.35Å; L779-H782 PolarHBondContact O-N 2.92Å; L779-Q783 HydrophobicContact CD1-CG 3.92Å; L779-Q783 HydrophobicContact CG-CG 4.43Å; L779-Q783 WeakPolarHBondContact O-CG 3.5Å; L779-Q783 PolarHBondContact O-N 3.04Å
780	S	62.7	Low	62.3	Low	53 Å²	53	71.4 Å²	71.4	37%	0.371	38%	0.376	S	S	.	.	H	α-helix	trans	-64.3	-33.7	179.6	-59.2	0	0	0	0	113.3	K776 S777 H782	K776-S780 PolarHBondContact O-N 2.97Å; K776-S780 PolarHBondContact O-OG 3.45Å; S777-S780 PolarHBondContact O-N 3.01Å; S780-H782 VanDerWaalsContact C-N 3.32Å
781	Q	63.2	Low	62.5	Low	80 Å²	80	72.9 Å²	72.9	37%	0.374	38%	0.378	S	S	.	.	H	α-helix	trans	-67.3	-33.4	171.1	-175.8	179.1	3.1	0	0	112.3	S777 L779	S777-Q781 WeakPolarHBondContact O-CB 3.31Å; S777-Q781 PolarHBondContact O-N 3.24Å; L779-Q781 VanDerWaalsContact C-N 3.33Å; L779-Q781 PolarHBondContact O-N 3.11Å
782	H	70.5	Confident	62.7	Low	19 Å²	19	68.2 Å²	68.2	9%	0.088	36%	0.363	C	S	.	.	H	α-helix	trans	-75.2	-36.8	177	169.9	60.2	0	0	0	112.8	C769 F773 H778 L779 S780 R784 I785 H786	C769-H782 PolarHBondContact SG-NE2 3.27Å; F773-H782 HydrophobicContact CE1-CB 4.01Å; F773-H782 HydrophobicContact CE2-CB 3.96Å; F773-H782 AromaticContact CE2-CD2 3.32Å; F773-H782 WeakPolarHBondContact CE2-CD2 3.5Å; F773-H782 AromaticContact CE2-CG 3.73Å; F773-H782 HydrophobicContact CZ-CB 3.47Å; F773-H782 VanDerWaalsContact CZ-CB 3.47Å; F773-H782 AromaticContact CZ-CD2 3.36Å; F773-H782 WeakPolarHBondContact CZ-CD2 3.2Å; F773-H782 AromaticContact CZ-CG 3.29Å; F773-H782 AromaticContact CZ-ND1 3.99Å; H778-H782 VanDerWaalsContact O-CB 3.29Å; H778-H782 WeakPolarHBondContact O-CB 3.36Å; H778-H782 PolarHBondContact O-N 3.2Å; L779-H782 CarbonylContact O-C 3.39Å; L779-H782 WeakPolarHBondContact O-CA 3.49Å; L779-H782 WeakPolarHBondContact O-CB 3.35Å; L779-H782 PolarHBondContact O-N 2.92Å; S780-H782 VanDerWaalsContact C-N 3.32Å; H782-R784 PolarHBondContact O-N 3.37Å; H782-I785 VanDerWaalsContact O-CB 3.23Å; H782-I785 WeakPolarHBondContact O-CB 3.44Å; H782-I785 WeakPolarHBondContact O-CG1 3.39Å; H782-I785 PolarHBondContact O-N 3.4Å; H782-H786 AromaticContact CE1-NE2 3.69Å; H782-H786 AromaticContact NE2-NE2 3.38Å; H782-H786 PolarHBondContact NE2-NE2 2.89Å
783	Q	67.8	Low	63.3	Low	63 Å²	63	72.8 Å²	72.8	29%	0.294	38%	0.378	S	S	.	.	H	α-helix	trans	-60.4	-28.4	177.5	-72.4	175.5	-75.7	0	0	112.6	L779 I785 H786 T787	L779-Q783 HydrophobicContact CD1-CG 3.92Å; L779-Q783 HydrophobicContact CG-CG 4.43Å; L779-Q783 WeakPolarHBondContact O-CG 3.5Å; L779-Q783 PolarHBondContact O-N 3.04Å; Q783-I785 PolarHBondContact O-N 3.35Å; Q783-I785 VanDerWaalsContact O-N 3.08Å; Q783-H786 PolarHBondContact O-N 3.41Å; Q783-T787 PolarHBondContact O-N 3.16Å
784	R	70.5	Confident	63.6	Low	74 Å²	74	71.2 Å²	71.2	28%	0.279	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.4	171.1	-63.8	-177.6	176	168.4	2.4	114.9	H782 G788 E789	H782-R784 PolarHBondContact O-N 3.37Å; R784-G788 PolarHBondContact O-N 3.47Å; R784-E789 HydrophobicContact CB-CB 4.2Å; R784-E789 HydrophobicContact CG-CB 3.98Å; R784-E789 IonicContact NE-OE2 3.57Å; R784-E789 PolarHBondContact O-N 3.17Å
785	I	61.8	Low	64.5	Low	100 Å²	100	78.7 Å²	78.7	51%	0.513	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-32.6	171.6	-56	180	0	0	0	110.3	H782 Q783 W803	H782-I785 VanDerWaalsContact O-CB 3.23Å; H782-I785 WeakPolarHBondContact O-CB 3.44Å; H782-I785 WeakPolarHBondContact O-CG1 3.39Å; H782-I785 PolarHBondContact O-N 3.4Å; Q783-I785 PolarHBondContact O-N 3.35Å; Q783-I785 VanDerWaalsContact O-N 3.08Å; I785-W803 HydrophobicContact CD1-CZ2 4.47Å
786	H	68.8	Low	64.9	Low	78 Å²	78	82.2 Å²	82.2	36%	0.361	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-42.5	177.4	-52.3	-50.4	0	0	0	111.8	C766 E768 C769 H782 Q783 G788	C766-H786 PolarHBondContact SG-NE2 3.32Å; C766-H786 VanDerWaalsContact SG-NE2 3.43Å; E768-H786 IonicContact OE2-CD2 3.33Å; E768-H786 PolarHBondContact OE2-CD2 3.48Å; E768-H786 IonicContact OE2-CG 3.98Å; C769-H786 PolarHBondContact SG-NE2 3.33Å; C769-H786 VanDerWaalsContact SG-NE2 3.42Å; H782-H786 AromaticContact CE1-NE2 3.69Å; H782-H786 AromaticContact NE2-NE2 3.38Å; H782-H786 PolarHBondContact NE2-NE2 2.89Å; Q783-H786 PolarHBondContact O-N 3.41Å; H786-G788 PolarHBondContact O-N 2.94Å
787	T	62.9	Low	65.8	Low	72 Å²	72	77.9 Å²	77.9	44%	0.442	40%	0.4	S	S	.	.	S	Bend	trans	-76.2	-9.5	177.3	67.8	0	0	0	0	113.8	Q783 E789	Q783-T787 PolarHBondContact O-N 3.16Å; T787-E789 WeakPolarHBondContact CB-OE1 3.24Å; T787-E789 PolarHBondContact O-N 3.45Å; T787-E789 VanDerWaalsContact O-N 3.15Å; T787-E789 VanDerWaalsContact OG1-CD 3.24Å; T787-E789 WeakPolarHBondContact OG1-CG 3.41Å; T787-E789 PolarHBondContact OG1-OE1 3.05Å
788	G	62.3	Low	66.4	Low	49 Å²	49	76.4 Å²	76.4	51%	0.505	40%	0.395	S	S	.	.			trans	68.9	5.1	-179.7	0	0	0	0	0	115.2	R784 H786 K790	R784-G788 PolarHBondContact O-N 3.47Å; H786-G788 PolarHBondContact O-N 2.94Å; G788-K790 PolarHBondContact O-N 2.9Å
789	E	62.1	Low	66.7	Low	94 Å²	94	77.5 Å²	77.5	44%	0.439	40%	0.402	S	S	.	.			trans	-56.4	125.7	-175	-83.7	166.8	-126.5	0	0	113.4	R784 T787 P791 S802	R784-E789 HydrophobicContact CB-CB 4.2Å; R784-E789 HydrophobicContact CG-CB 3.98Å; R784-E789 IonicContact NE-OE2 3.57Å; R784-E789 PolarHBondContact O-N 3.17Å; T787-E789 WeakPolarHBondContact CB-OE1 3.24Å; T787-E789 PolarHBondContact O-N 3.45Å; T787-E789 VanDerWaalsContact O-N 3.15Å; T787-E789 VanDerWaalsContact OG1-CD 3.24Å; T787-E789 WeakPolarHBondContact OG1-CG 3.41Å; T787-E789 PolarHBondContact OG1-OE1 3.05Å; E789-P791 VanDerWaalsContact C-CD 3.41Å; E789-P791 VanDerWaalsContact O-CD 3.3Å; E789-P791 WeakPolarHBondContact O-CD 3.31Å; E789-S802 WeakPolarHBondContact O-CA 3.29Å; E789-S802 WeakPolarHBondContact O-CB 3.19Å
790	K	66	Low	66.6	Low	134 Å²	134	78.9 Å²	78.9	58%	0.583	41%	0.413	S	S	*	.			trans	-119.7	67.1	177.5	-71.7	166.2	169.3	-173.4	0	111.8	G788 F792 S800 F801	G788-K790 PolarHBondContact O-N 2.9Å; K790-F792 VanDerWaalsContact C-N 3.25Å; K790-F792 PolarHBondContact O-N 2.8Å; K790-S800 WeakPolarHBondContact CD-O 3.29Å; K790-S800 WeakPolarHBondContact O-CB 3.44Å; K790-F801 CarbonylContact C-O 3.59Å; K790-F801 VanDerWaalsContact CA-O 3.28Å; K790-F801 WeakPolarHBondContact CA-O 3.23Å
791	P	62.6	Low	66.7	Low	70 Å²	70	78.4 Å²	78.4	46%	0.455	40%	0.404	S	S	.	.			trans	-77.3	-2.5	-171	32.4	-36.6	0	0	0	114.7	E789	E789-P791 VanDerWaalsContact C-CD 3.41Å; E789-P791 VanDerWaalsContact O-CD 3.3Å; E789-P791 WeakPolarHBondContact O-CD 3.31Å
792	F	64.1	Low	66	Low	65 Å²	65	76.5 Å²	76.5	29%	0.285	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	91	-179.8	-58	-73.5	0	0	0	110.1	K790 F801 S802 W803 S804 L807	K790-F792 VanDerWaalsContact C-N 3.25Å; K790-F792 PolarHBondContact O-N 2.8Å; F792-F801 HydrophobicContact CB-CB 4.44Å; F792-F801 WeakPolarHBondContact CB-O 3.22Å; F792-F801 PolarHBondContact N-O 3.42Å; F792-F801 WeakPolarHBondContact O-CD2 3.45Å; F792-F801 PolarHBondContact O-N 3.31Å; F792-S802 WeakPolarHBondContact CD2-O 3.49Å; F792-S802 WeakPolarHBondContact CE2-O 3.48Å; F792-W803 VanDerWaalsContact CD2-C 3.46Å; F792-S804 VanDerWaalsContact CD2-N 3.32Å; F792-L807 HydrophobicContact CB-CB 4.22Å; F792-L807 HydrophobicContact CB-CD2 3.92Å
793	Q	63.6	Low	65.5	Low	117 Å²	117	80.3 Å²	80.3	55%	0.547	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.9	-179.7	-166.1	172.8	25.3	0	0	112.4	G798 M799 S800	Q793-G798 WeakPolarHBondContact CG-O 3.45Å; Q793-G798 PolarHBondContact NE2-O 2.82Å; Q793-M799 CarbonylContact C-O 3.55Å; Q793-M799 WeakPolarHBondContact CA-O 3.45Å; Q793-S800 WeakPolarHBondContact CG-OG 3.33Å
794	C	71.3	Confident	64.5	Low	2 Å²	2	80 Å²	80	1%	0.014	42%	0.419	C	S	.	.			trans	-73.6	127.4	167.7	-176.5	0	0	0	0	110	C797 G798 M799 F801 L807	C794-C797 VanDerWaalsContact SG-SG 3.65Å; C794-G798 WeakPolarHBondContact O-CA 3.23Å; C794-G798 PolarHBondContact O-N 2.84Å; C794-M799 PolarHBondContact N-O 3.32Å; C794-F801 HydrophobicContact CB-CE2 4.37Å; C794-L807 HydrophobicContact CB-CD1 3.65Å
795	K	68.4	Low	63.4	Low	208 Å²	208	79.7 Å²	79.7	90%	0.904	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-23.3	-179.7	-67.8	-172.1	175.9	-173.8	0	113.4
796	E	67.1	Low	63.3	Low	129 Å²	129	76.8 Å²	76.8	60%	0.603	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-36.8	-177.1	-71.2	131.3	-150.5	0	0	112.8	L811 H814	E796-L811 VanDerWaalsContact OE2-CD2 3.32Å; E796-L811 WeakPolarHBondContact OE2-CD2 3.4Å; E796-H814 IonicContact OE2-CD2 3.11Å; E796-H814 PolarHBondContact OE2-CD2 3.34Å; E796-H814 IonicContact OE2-CG 3.7Å
797	C	76.6	Confident	62.7	Low	54 Å²	54	74.2 Å²	74.2	37%	0.365	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	0.7	-176.6	74	0	0	0	0	114.9	C794 M799 H810 H814	C794-C797 VanDerWaalsContact SG-SG 3.65Å; C797-M799 PolarHBondContact O-N 2.92Å; C797-H810 PolarHBondContact SG-NE2 3.19Å; C797-H814 VanDerWaalsContact CB-NE2 3.31Å; C797-H814 WeakPolarHBondContact CB-NE2 3.41Å
798	G	70.7	Confident	62.1	Low	37 Å²	37	77.7 Å²	77.7	38%	0.381	41%	0.414	S	S	.	.			trans	73.3	-1.4	-179.8	0	0	0	0	0	116.2	Q793 C794 S800	Q793-G798 WeakPolarHBondContact CG-O 3.45Å; Q793-G798 PolarHBondContact NE2-O 2.82Å; C794-G798 WeakPolarHBondContact O-CA 3.23Å; C794-G798 PolarHBondContact O-N 2.84Å; G798-S800 PolarHBondContact O-N 3.46Å
799	M	67.7	Low	62.2	Low	113 Å²	113	83.3 Å²	83.3	56%	0.557	42%	0.424	S	S	*	.			trans	-66.6	130.9	-179.2	-77.8	-161	166.5	0	0	113.1	Q793 C794 C797 F801	Q793-M799 CarbonylContact C-O 3.55Å; Q793-M799 WeakPolarHBondContact CA-O 3.45Å; C794-M799 PolarHBondContact N-O 3.32Å; C797-M799 PolarHBondContact O-N 2.92Å; M799-F801 HydrophobicContact CB-CE2 3.71Å; M799-F801 HydrophobicContact CB-CZ 3.88Å; M799-F801 WeakPolarHBondContact O-CD2 3.38Å; M799-F801 VanDerWaalsContact O-CE2 3.3Å; M799-F801 WeakPolarHBondContact O-CE2 3.29Å; M799-F801 HydrophobicContact SD-CZ 4.38Å
800	S	67.8	Low	62.5	Low	46 Å²	46	80 Å²	80	32%	0.322	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.3	-178.4	-57.6	0	0	0	0	113.2	K790 Q793 G798	K790-S800 WeakPolarHBondContact CD-O 3.29Å; K790-S800 WeakPolarHBondContact O-CB 3.44Å; Q793-S800 WeakPolarHBondContact CG-OG 3.33Å; G798-S800 PolarHBondContact O-N 3.46Å
801	F	64.1	Low	62.1	Low	42 Å²	42	75.8 Å²	75.8	18%	0.184	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.6	-176.5	-58.5	-89.2	0	0	0	112	K790 F792 C794 M799 L807 H810	K790-F801 CarbonylContact C-O 3.59Å; K790-F801 VanDerWaalsContact CA-O 3.28Å; K790-F801 WeakPolarHBondContact CA-O 3.23Å; F792-F801 HydrophobicContact CB-CB 4.44Å; F792-F801 WeakPolarHBondContact CB-O 3.22Å; F792-F801 PolarHBondContact N-O 3.42Å; F792-F801 WeakPolarHBondContact O-CD2 3.45Å; F792-F801 PolarHBondContact O-N 3.31Å; C794-F801 HydrophobicContact CB-CE2 4.37Å; M799-F801 HydrophobicContact CB-CE2 3.71Å; M799-F801 HydrophobicContact CB-CZ 3.88Å; M799-F801 WeakPolarHBondContact O-CD2 3.38Å; M799-F801 VanDerWaalsContact O-CE2 3.3Å; M799-F801 WeakPolarHBondContact O-CE2 3.29Å; M799-F801 HydrophobicContact SD-CZ 4.38Å; F801-L807 HydrophobicContact CB-CB 4.37Å; F801-L807 HydrophobicContact CD2-CB 3.98Å; F801-L807 HydrophobicContact CD2-CD1 3.92Å; F801-L807 HydrophobicContact CE2-CD1 4.08Å; F801-L807 HydrophobicContact CG-CB 4.33Å; F801-H810 HydrophobicContact CE1-CB 4.16Å; F801-H810 HydrophobicContact CE2-CB 4.09Å; F801-H810 AromaticContact CE2-CD2 3.33Å; F801-H810 WeakPolarHBondContact CE2-CD2 3.36Å; F801-H810 AromaticContact CE2-CG 3.81Å; F801-H810 HydrophobicContact CZ-CB 3.62Å; F801-H810 AromaticContact CZ-CD2 3.39Å; F801-H810 WeakPolarHBondContact CZ-CD2 3.43Å; F801-H810 AromaticContact CZ-CG 3.4Å
802	S	49.5	Very low	61.9	Low	40 Å²	40	80.3 Å²	80.3	28%	0.28	40%	0.4	S	S	.	.	S	Bend	trans	-75	-29.3	177.3	51	0	0	0	0	113.3	E789 F792	E789-S802 WeakPolarHBondContact O-CA 3.29Å; E789-S802 WeakPolarHBondContact O-CB 3.19Å; F792-S802 WeakPolarHBondContact CD2-O 3.49Å; F792-S802 WeakPolarHBondContact CE2-O 3.48Å
803	W	60.2	Low	61.8	Low	99 Å²	99	79.7 Å²	79.7	38%	0.375	40%	0.404	S	S	.	.	S	Bend	trans	-124.7	140.3	179.9	-56.2	-18.1	0	0	0	111.8	I785 F792 C805 S806 L807	I785-W803 HydrophobicContact CD1-CZ2 4.47Å; F792-W803 VanDerWaalsContact CD2-C 3.46Å; W803-C805 VanDerWaalsContact C-N 3.31Å; W803-C805 PolarHBondContact O-N 3.33Å; W803-S806 WeakPolarHBondContact O-CB 3.24Å; W803-S806 PolarHBondContact O-N 2.64Å; W803-S806 VanDerWaalsContact O-N 3.09Å; W803-L807 PolarHBondContact O-N 3.25Å
804	S	45.6	Very low	62	Low	57 Å²	57	77.2 Å²	77.2	40%	0.399	39%	0.392	S	S	.	.	H	α-helix	trans	-63.5	-31.6	179.8	53.4	0	0	0	0	113.7	F792 S806 L807 F808	F792-S804 VanDerWaalsContact CD2-N 3.32Å; S804-S806 VanDerWaalsContact C-N 3.27Å; S804-S806 PolarHBondContact O-N 2.97Å; S804-L807 PolarHBondContact O-N 3.01Å; S804-F808 PolarHBondContact O-N 2.9Å
805	C	48.4	Very low	61.1	Low	68 Å²	68	83.8 Å²	83.8	46%	0.459	42%	0.423	S	S	.	.	H	α-helix	trans	-68.4	-25.3	175.2	59.9	0	0	0	0	113.1	W803 K809	W803-C805 VanDerWaalsContact C-N 3.31Å; W803-C805 PolarHBondContact O-N 3.33Å; C805-K809 WeakPolarHBondContact O-CG 3.48Å; C805-K809 PolarHBondContact O-N 3.02Å; C805-K809 VanDerWaalsContact O-N 3.16Å
806	S	58.9	Low	60.2	Low	39 Å²	39	83.8 Å²	83.8	27%	0.273	42%	0.417	S	S	.	.	H	α-helix	trans	-74.3	-42.7	172	-55.6	0	0	0	0	110.8	W803 S804 K809 H810	W803-S806 WeakPolarHBondContact O-CB 3.24Å; W803-S806 PolarHBondContact O-N 2.64Å; W803-S806 VanDerWaalsContact O-N 3.09Å; S804-S806 VanDerWaalsContact C-N 3.27Å; S804-S806 PolarHBondContact O-N 2.97Å; S806-K809 PolarHBondContact O-N 2.96Å; S806-H810 WeakPolarHBondContact O-CB 3.33Å; S806-H810 PolarHBondContact O-N 2.98Å
807	L	56.5	Low	59.4	Low	24 Å²	24	82.3 Å²	82.3	13%	0.126	42%	0.417	C	S	.	.	H	α-helix	trans	-58.5	-47.3	171.4	174.3	59.3	0	0	0	111.3	F792 C794 F801 W803 S804 K809 H810 L811	F792-L807 HydrophobicContact CB-CB 4.22Å; F792-L807 HydrophobicContact CB-CD2 3.92Å; C794-L807 HydrophobicContact CB-CD1 3.65Å; F801-L807 HydrophobicContact CB-CB 4.37Å; F801-L807 HydrophobicContact CD2-CB 3.98Å; F801-L807 HydrophobicContact CD2-CD1 3.92Å; F801-L807 HydrophobicContact CE2-CD1 4.08Å; F801-L807 HydrophobicContact CG-CB 4.33Å; W803-L807 PolarHBondContact O-N 3.25Å; S804-L807 PolarHBondContact O-N 3.01Å; L807-K809 VanDerWaalsContact C-N 3.31Å; L807-K809 PolarHBondContact O-N 3Å; L807-H810 CarbonylContact O-C 3.51Å; L807-H810 WeakPolarHBondContact O-CA 3.45Å; L807-H810 WeakPolarHBondContact O-CB 3.45Å; L807-H810 PolarHBondContact O-N 2.94Å; L807-L811 HydrophobicContact CD1-CD1 4.16Å; L807-L811 HydrophobicContact CD1-CD2 4.32Å; L807-L811 HydrophobicContact CD1-CG 3.99Å; L807-L811 HydrophobicContact CG-CD1 4.05Å; L807-L811 HydrophobicContact CG-CG 4.35Å; L807-L811 WeakPolarHBondContact O-CG 3.46Å; L807-L811 PolarHBondContact O-N 2.93Å
808	F	51.5	Low	57.9	Low	144 Å²	144	86.6 Å²	86.6	63%	0.632	44%	0.437	S	S	*	.	H	α-helix	trans	-61.6	-33.5	176.8	-96.9	-73.5	0	0	0	114	S804 H810 R812	S804-F808 PolarHBondContact O-N 2.9Å; F808-H810 VanDerWaalsContact C-N 3.33Å; F808-R812 WeakPolarHBondContact O-CG 3.35Å
809	K	64.2	Low	56.4	Low	168 Å²	168	93.2 Å²	93.2	73%	0.73	48%	0.477	S	S	*	.	H	α-helix	trans	-69.7	-31.6	172.4	-78	179.7	177.5	-173.3	0	112.5	C805 S806 L807	C805-K809 WeakPolarHBondContact O-CG 3.48Å; C805-K809 PolarHBondContact O-N 3.02Å; C805-K809 VanDerWaalsContact O-N 3.16Å; S806-K809 PolarHBondContact O-N 2.96Å; L807-K809 VanDerWaalsContact C-N 3.31Å; L807-K809 PolarHBondContact O-N 3Å
810	H	67.5	Low	55.8	Low	25 Å²	25	92.2 Å²	92.2	12%	0.116	47%	0.473	C	S	.	.	H	α-helix	trans	-80	-37	179.6	167.9	62.4	0	0	0	113	C797 F801 S806 L807 F808 R812 S813 H814	C797-H810 PolarHBondContact SG-NE2 3.19Å; F801-H810 HydrophobicContact CE1-CB 4.16Å; F801-H810 HydrophobicContact CE2-CB 4.09Å; F801-H810 AromaticContact CE2-CD2 3.33Å; F801-H810 WeakPolarHBondContact CE2-CD2 3.36Å; F801-H810 AromaticContact CE2-CG 3.81Å; F801-H810 HydrophobicContact CZ-CB 3.62Å; F801-H810 AromaticContact CZ-CD2 3.39Å; F801-H810 WeakPolarHBondContact CZ-CD2 3.43Å; F801-H810 AromaticContact CZ-CG 3.4Å; S806-H810 WeakPolarHBondContact O-CB 3.33Å; S806-H810 PolarHBondContact O-N 2.98Å; L807-H810 CarbonylContact O-C 3.51Å; L807-H810 WeakPolarHBondContact O-CA 3.45Å; L807-H810 WeakPolarHBondContact O-CB 3.45Å; L807-H810 PolarHBondContact O-N 2.94Å; F808-H810 VanDerWaalsContact C-N 3.33Å; H810-R812 PolarHBondContact O-N 3.16Å; H810-S813 PolarHBondContact ND1-OG 3.16Å; H810-S813 WeakPolarHBondContact O-CA 3.38Å; H810-S813 WeakPolarHBondContact O-CB 3.2Å; H810-S813 PolarHBondContact O-N 3.11Å; H810-S813 PolarHBondContact O-OG 2.75Å; H810-H814 AromaticContact CE1-NE2 3.86Å
811	L	58.2	Low	55.2	Low	45 Å²	45	94.6 Å²	94.6	24%	0.236	48%	0.481	C	S	.	.	H	α-helix	trans	-57.8	-39.3	171.2	-67.3	168.3	0	0	0	110.9	E796 L807 S813 H814 E815	E796-L811 VanDerWaalsContact OE2-CD2 3.32Å; E796-L811 WeakPolarHBondContact OE2-CD2 3.4Å; L807-L811 HydrophobicContact CD1-CD1 4.16Å; L807-L811 HydrophobicContact CD1-CD2 4.32Å; L807-L811 HydrophobicContact CD1-CG 3.99Å; L807-L811 HydrophobicContact CG-CD1 4.05Å; L807-L811 HydrophobicContact CG-CG 4.35Å; L807-L811 WeakPolarHBondContact O-CG 3.46Å; L807-L811 PolarHBondContact O-N 2.93Å; L811-S813 PolarHBondContact O-N 3.41Å; L811-H814 PolarHBondContact O-N 3.43Å; L811-E815 PolarHBondContact O-N 3.39Å
812	R	57.5	Low	54.7	Low	165 Å²	165	97.6 Å²	97.6	62%	0.623	50%	0.497	S	S	*	.	H	α-helix	trans	-64.9	-4.1	170.6	-67.2	-171.6	176.4	178.8	1.4	115.9	F808 H810 E815 R816	F808-R812 WeakPolarHBondContact O-CG 3.35Å; H810-R812 PolarHBondContact O-N 3.16Å; R812-E815 WeakPolarHBondContact CG-OE2 3.3Å; R812-R816 WeakPolarHBondContact O-CG 3.43Å
813	S	62.7	Low	55	Low	52 Å²	52	100.9 Å²	100.9	36%	0.364	51%	0.51	S	S	.	.	H	α-helix	trans	-92.5	-23.8	168.9	62.3	0	0	0	0	112.8	H810 L811 R816	H810-S813 PolarHBondContact ND1-OG 3.16Å; H810-S813 WeakPolarHBondContact O-CA 3.38Å; H810-S813 WeakPolarHBondContact O-CB 3.2Å; H810-S813 PolarHBondContact O-N 3.11Å; H810-S813 PolarHBondContact O-OG 2.75Å; L811-S813 PolarHBondContact O-N 3.41Å; S813-R816 PolarHBondContact O-N 3.48Å
814	H	66.8	Low	54.7	Low	64 Å²	64	101.1 Å²	101.1	30%	0.296	52%	0.518	S	S	.	.	H	α-helix	trans	-74.2	-40.9	167.3	-60.1	-52.9	0	0	0	110.9	E796 C797 H810 L811 R816 T817	E796-H814 IonicContact OE2-CD2 3.11Å; E796-H814 PolarHBondContact OE2-CD2 3.34Å; E796-H814 IonicContact OE2-CG 3.7Å; C797-H814 VanDerWaalsContact CB-NE2 3.31Å; C797-H814 WeakPolarHBondContact CB-NE2 3.41Å; H810-H814 AromaticContact CE1-NE2 3.86Å; L811-H814 PolarHBondContact O-N 3.43Å; H814-R816 PolarHBondContact O-N 2.65Å; H814-T817 PolarHBondContact O-N 3.16Å; H814-T817 PolarHBondContact O-OG1 2.89Å
815	E	54.1	Low	55.3	Low	140 Å²	140	104 Å²	104	65%	0.654	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	1.8	169.8	-62.5	178.8	162.8	0	0	114.8	L811 R812	L811-E815 PolarHBondContact O-N 3.39Å; R812-E815 WeakPolarHBondContact CG-OE2 3.3Å
816	R	48.1	Very low	55.8	Low	208 Å²	208	106.6 Å²	106.6	79%	0.785	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	2.4	178.9	-75.6	-178.4	166	-161.5	-6.9	114.1	R812 S813 H814	R812-R816 WeakPolarHBondContact O-CG 3.43Å; S813-R816 PolarHBondContact O-N 3.48Å; H814-R816 PolarHBondContact O-N 2.65Å
817	T	51.8	Low	55.5	Low	98 Å²	98	111.8 Å²	111.8	60%	0.601	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-14.2	175.6	46.1	0	0	0	0	113.4	H814 S819	H814-T817 PolarHBondContact O-N 3.16Å; H814-T817 PolarHBondContact O-OG1 2.89Å; T817-S819 PolarHBondContact O-N 3.33Å
818	D	45.1	Very low	55.4	Low	145 Å²	145	119.1 Å²	119.1	78%	0.775	59%	0.586	S	S	*	*			trans	-96.8	66.2	171.3	-64.4	-39.2	0	0	0	110.3
819	S	37.9	Very low	55.8	Low	175 Å²	175	116.8 Å²	116.8	100%	1.224	58%	0.582	S	S	*	*			trans	-155.3	0	178.3	-66.9	0	0	0	0	112.2	T817	T817-S819 PolarHBondContact O-N 3.33Å

Retrieved 819 of 819 residues in 399.6 ms (Link to these results)

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