A0A096NGP4_PAPAN Loading...

DENN domain containing 6A

AlphaFold DB , UniProt , Accession A0A096NGP4, Species PAPAN (Papio anubis, Olive baboon), Gene DENND6A, Length 608 aa.

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(Predicted Aligned Error values between residue pairs)

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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	35.5	Very low	34.2	Very low	253 Å²	253	135.2 Å²	135.2	100%	1.246	85%	0.849	S	S	*	*				0	160.6	0	-77.3	170.2	165.8	0	0	108.6
2	A	34.8	Very low	33.7	Very low	90 Å²	90	130.4 Å²	130.4	74%	0.744	85%	0.845	S	S	*	*			trans	-119.9	-170.5	-168.9	0	0	0	0	0	112.4
3	L	31.7	Very low	33.2	Very low	155 Å²	155	128.2 Å²	128.2	81%	0.812	84%	0.835	S	S	*	*			trans	83.2	142.8	178.9	-49.8	168.6	0	0	0	114.5
4	R	32.1	Very low	33.1	Very low	233 Å²	233	136.2 Å²	136.2	88%	0.879	84%	0.84	S	S	*	*			cis	-168.8	158.4	-27.6	-122.5	-177.8	-177.3	-178.5	-1.2	106.7
5	G	29.7	Very low	33	Very low	68 Å²	68	141.8 Å²	141.8	70%	0.701	84%	0.839	S	S	*	*			trans	-86.7	-148.5	170	0	0	0	0	0	112.8
6	P	50.1	Low	33.5	Very low	127 Å²	127	140.3 Å²	140.3	83%	0.825	83%	0.834	S	S	*	*			cis	-152.1	-175	4.1	45.4	-25.5	0	0	0	118.5
7	A	33.4	Very low	33.4	Very low	104 Å²	104	139.2 Å²	139.2	86%	0.86	82%	0.823	S	S	*	*			trans	76.3	150.4	138.1	0	0	0	0	0	125.3
8	G	27.7	Very low	33.2	Very low	66 Å²	66	139.2 Å²	139.2	68%	0.68	82%	0.818	S	S	*	*			trans	126.6	105.1	171.9	0	0	0	0	0	112.5
9	L	29.8	Very low	32.9	Very low	183 Å²	183	141.6 Å²	141.6	96%	0.958	82%	0.821	S	S	*	*			cis	58.6	123.3	49.8	-56.3	167.9	0	0	0	111.8
10	G	26.2	Very low	32.7	Very low	73 Å²	73	139.1 Å²	139.1	75%	0.753	82%	0.817	S	S	*	*			cis	137.6	179.1	14.6	0	0	0	0	0	108.3
11	P	45	Very low	32.6	Very low	135 Å²	135	139.6 Å²	139.6	88%	0.877	82%	0.822	S	S	*	*			cis	-136.9	179.5	-28.7	43.1	-26.2	0	0	0	115.5
12	G	28	Very low	32.2	Very low	78 Å²	78	132.5 Å²	132.5	80%	0.804	80%	0.803	S	S	*	*			trans	88.4	165.6	154.7	0	0	0	0	0	119.7
13	S	28.2	Very low	31.8	Very low	102 Å²	102	132 Å²	132	71%	0.713	81%	0.807	S	S	*	*			cis	-167	163.7	-17.2	76.4	0	0	0	0	114.1
14	R	30.8	Very low	31.5	Very low	240 Å²	240	129.2 Å²	129.2	91%	0.906	81%	0.806	S	S	*	*			trans	79.9	147.5	157.3	-66.9	174.7	177.4	-171.4	-1.7	122.3
15	R	32.1	Very low	31.3	Very low	220 Å²	220	125.4 Å²	125.4	83%	0.83	81%	0.809	S	S	*	*			trans	-110.1	174	163	-56.5	177	171	176.7	-5	109.2
16	P	41.6	Very low	31	Very low	117 Å²	117	126 Å²	126	76%	0.76	81%	0.814	S	S	*	*				-130.8	-176.8	73.2	33.8	-14	0	0	0	111.5
17	L	30.4	Very low	30	Very low	123 Å²	123	131.6 Å²	131.6	64%	0.644	82%	0.819	S	S	*	*			cis	68.6	137.5	32.8	-60	178.2	0	0	0	114.6
18	D	30.6	Very low	29.6	Very low	138 Å²	138	136.3 Å²	136.3	74%	0.738	82%	0.823	S	S	*	*			cis	-109.5	-135.1	-9.8	-78.6	-72.1	0	0	0	110.2
19	E	27.9	Very low	29.5	Very low	186 Å²	186	137.4 Å²	137.4	87%	0.869	83%	0.826	S	S	*	*			cis	-149.9	163	1.8	-71.5	-177.1	95.7	0	0	108.5
20	A	28.8	Very low	29.9	Very low	90 Å²	90	134.6 Å²	134.6	74%	0.744	82%	0.819	S	S	*	*			cis	122.6	58.8	-3	0	0	0	0	0	117.6
21	V	29.1	Very low	29.8	Very low	151 Å²	151	136 Å²	136	92%	0.915	82%	0.823	S	S	*	*			trans	-128.7	143.7	164.4	173.5	0	0	0	0	111.8
22	A	28.1	Very low	28.8	Very low	104 Å²	104	137.5 Å²	137.5	86%	0.86	82%	0.823	S	S	*	*			trans	-118	157.9	178.7	0	0	0	0	0	112.8
23	G	25.6	Very low	28.7	Very low	80 Å²	80	141.6 Å²	141.6	83%	0.825	83%	0.826	S	S	*	*			trans	-151.7	136.2	170.3	0	0	0	0	0	109.7
24	A	26.1	Very low	28.5	Very low	95 Å²	95	141 Å²	141	79%	0.785	83%	0.827	S	S	*	*			trans	-144.2	-179.1	-165.8	0	0	0	0	0	113
25	V	27.3	Very low	28.3	Very low	154 Å²	154	134.8 Å²	134.8	93%	0.933	83%	0.827	S	S	*	*			trans	84	131.2	175.7	-169.8	0	0	0	0	114.8
26	G	24.8	Very low	27.8	Very low	80 Å²	80	128.2 Å²	128.2	83%	0.825	83%	0.828	S	S	*	*			trans	159.1	56.7	-177.5	0	0	0	0	0	113
27	R	28.1	Very low	26.9	Very low	244 Å²	244	126.7 Å²	126.7	92%	0.921	83%	0.833	S	S	*	*			trans	-84.3	126.4	169.3	-94.9	-177	169.1	174.4	-4	108.7
28	E	24.6	Very low	26.7	Very low	203 Å²	203	125.1 Å²	125.1	95%	0.949	84%	0.838	S	S	*	*			trans	-159.2	144.9	147.1	-125.2	162.1	-141.4	0	0	114.2
29	A	26.6	Very low	26.6	Very low	90 Å²	90	124 Å²	124	74%	0.744	84%	0.838	S	S	*	*			trans	-166.3	159	171.1	0	0	0	0	0	105.5
30	P	37.4	Very low	26.6	Very low	123 Å²	123	124.1 Å²	124.1	80%	0.799	84%	0.839	S	S	*	*			cis	-133	-175.4	14.9	43.1	-27.5	0	0	0	114.5
31	A	24.1	Very low	26.6	Very low	103 Å²	103	127 Å²	127	85%	0.851	84%	0.842	S	S	*	*			trans	-146.9	141.9	152.8	0	0	0	0	0	110.6
32	L	25.4	Very low	26.6	Very low	166 Å²	166	127.6 Å²	127.6	87%	0.869	84%	0.84	S	S	*	*			trans	-117.9	150.3	174.9	-90.5	149.5	0	0	0	109.2
33	L	25	Very low	26.7	Very low	165 Å²	165	131.6 Å²	131.6	86%	0.864	84%	0.84	S	S	*	*			trans	163.3	116.6	154.6	-87.6	157.7	0	0	0	104.9
34	A	24.8	Very low	26.9	Very low	90 Å²	90	137.2 Å²	137.2	74%	0.744	85%	0.845	S	S	*	*				62.5	131.8	62.2	0	0	0	0	0	112.8
35	A	24.8	Very low	27.1	Very low	109 Å²	109	139.2 Å²	139.2	90%	0.901	84%	0.843	S	S	*	*			cis	-159.7	169	-11	0	0	0	0	0	109.1
36	G	23.1	Very low	27.2	Very low	82 Å²	82	139.2 Å²	139.2	85%	0.845	84%	0.837	S	S	*	*			trans	175.3	80.3	176.6	0	0	0	0	0	113.8
37	G	23.2	Very low	27.7	Very low	84 Å²	84	138.6 Å²	138.6	87%	0.866	83%	0.832	S	S	*	*			trans	-86.9	151.5	171.9	0	0	0	0	0	112.3
38	A	25.6	Very low	28.1	Very low	91 Å²	91	138.7 Å²	138.7	75%	0.752	83%	0.832	S	S	*	*			trans	-110.1	151.7	160.4	0	0	0	0	0	107.8
39	P	28.5	Very low	28.7	Very low	114 Å²	114	131.5 Å²	131.5	74%	0.74	81%	0.813	S	S	*	*			trans	-69.9	146.8	-172.4	29	-35.2	0	0	0	112.4
40	E	28.1	Very low	29.5	Very low	188 Å²	188	139.2 Å²	139.2	88%	0.879	82%	0.822	S	S	*	*			trans	-90.3	122.4	159.5	-65.4	174.8	133.9	0	0	106.5
41	D	28.2	Very low	29.9	Very low	152 Å²	152	136.8 Å²	136.8	81%	0.813	82%	0.82	S	S	*	*			trans	-86.9	108.2	172.1	-73.6	-47.8	0	0	0	108.5	E43	D41-E43 PolarHBondContact O-N 3.21Å
42	D	29.6	Very low	31.6	Very low	163 Å²	163	138.5 Å²	138.5	87%	0.872	81%	0.814	S	S	*	*			trans	-72.2	101.4	172.9	-79	-48.7	0	0	0	110.4
43	E	30.6	Very low	34	Very low	187 Å²	187	136.5 Å²	136.5	87%	0.874	80%	0.803	S	S	*	*			trans	-93.6	138.1	159.7	-73.9	-163.3	148.6	0	0	110.6	D41 D45	D41-E43 PolarHBondContact O-N 3.21Å; E43-D45 PolarHBondContact O-N 3.48Å
44	E	28.3	Very low	36.7	Very low	199 Å²	199	136.6 Å²	136.6	93%	0.93	79%	0.792	S	S	*	*			trans	-72.1	112.5	-170	-58.8	178.1	124	0	0	112.6	D46	E44-D46 PolarHBondContact O-N 3.12Å
45	D	30.3	Very low	39.7	Very low	137 Å²	137	133.2 Å²	133.2	73%	0.733	76%	0.76	S	S	*	*			trans	-72.5	103.5	177.7	178.9	31.3	0	0	0	112.4	E43 G47	E43-D45 PolarHBondContact O-N 3.48Å; D45-G47 PolarHBondContact O-N 2.81Å
46	D	30.6	Very low	42.7	Very low	153 Å²	153	129.9 Å²	129.9	82%	0.818	73%	0.727	S	S	*	*			trans	-73.9	62.4	177.2	-171.5	25.7	0	0	0	113.2	E44 R48	E44-D46 PolarHBondContact O-N 3.12Å; D46-R48 VanDerWaalsContact C-N 3.3Å; D46-R48 PolarHBondContact O-N 3.23Å
47	G	33.9	Very low	45.8	Very low	68 Å²	68	126.6 Å²	126.6	70%	0.701	69%	0.693	S	S	*	*	S	Bend	trans	64.9	13.3	147.5	0	0	0	0	0	118.4	D45	D45-G47 PolarHBondContact O-N 2.81Å
48	R	38.4	Very low	49.2	Very low	245 Å²	245	122.6 Å²	122.6	93%	0.925	65%	0.652	S	S	*	*			trans	-136	36.5	-173.1	-69.9	-164.5	175.7	-159.3	0.9	116.4	D46	D46-R48 VanDerWaalsContact C-N 3.3Å; D46-R48 PolarHBondContact O-N 3.23Å
49	G	36.7	Very low	52.3	Low	53 Å²	53	120.7 Å²	120.7	55%	0.546	63%	0.633	S	S	.	*			trans	-129.1	101.2	173.5	0	0	0	0	0	115.3	G51	G49-G51 PolarHBondContact O-N 3.1Å
50	R	42.5	Very low	55.2	Low	252 Å²	252	115.8 Å²	115.8	95%	0.951	60%	0.602	S	S	*	*			trans	-75.4	104.6	147.9	-102.8	-168.5	174.9	-134.9	-0.2	106	L52	R50-L52 PolarHBondContact O-N 3.46Å; R50-L52 VanDerWaalsContact O-N 3.13Å
51	G	47.1	Very low	58.3	Low	72 Å²	72	107 Å²	107	74%	0.742	56%	0.561	S	S	*	*			trans	-44.6	113.4	-165.5	0	0	0	0	0	114.4	G49	G49-G51 PolarHBondContact O-N 3.1Å
52	L	59.5	Low	61.5	Low	139 Å²	139	100.1 Å²	100.1	73%	0.728	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-74.3	131.4	166.9	-76	157.1	0	0	0	108.5	R50 D56	R50-L52 PolarHBondContact O-N 3.46Å; R50-L52 VanDerWaalsContact O-N 3.13Å; L52-D56 HydrophobicContact CD2-CB 3.78Å
53	L	76.1	Confident	64.5	Low	124 Å²	124	94.9 Å²	94.9	65%	0.649	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-78.1	152.4	170.8	-60	175.9	0	0	0	109.7	W55 D56	L53-W55 PolarHBondContact O-N 3.02Å; L53-D56 PolarHBondContact N-OD2 3.36Å; L53-D56 VanDerWaalsContact O-CB 3.3Å; L53-D56 WeakPolarHBondContact O-CB 3.2Å; L53-D56 PolarHBondContact O-N 3.22Å
54	R	80.9	Confident	67.6	Low	166 Å²	166	86 Å²	86	63%	0.626	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	129.7	171.3	-170.8	-174	177.6	177	0.8	109.3
55	W	88.7	Confident	70.9	Confident	20 Å²	20	76.5 Å²	76.5	8%	0.076	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	4.7	-172.5	-45.8	110.6	0	0	0	117.1	L53 F58 S59 Y82 P83 H85 C208 N209 D212	L53-W55 PolarHBondContact O-N 3.02Å; W55-F58 HydrophobicContact CE3-CB 3.84Å; W55-F58 HydrophobicContact CE3-CD2 4.36Å; W55-F58 HydrophobicContact CE3-CG 4.13Å; W55-F58 HydrophobicContact CZ3-CD2 4.49Å; W55-S59 WeakPolarHBondContact O-CB 3.33Å; W55-S59 PolarHBondContact O-N 3.03Å; W55-S59 PolarHBondContact O-OG 3.24Å; W55-Y82 AromaticContact CH2-CE1 3.46Å; W55-Y82 HydrophobicContact CH2-CE1 3.46Å; W55-Y82 VanDerWaalsContact CH2-CE1 3.46Å; W55-Y82 AromaticContact CH2-CZ 3.78Å; W55-Y82 WeakPolarHBondContact CH2-OH 3.39Å; W55-Y82 AromaticContact CZ2-CE1 3.89Å; W55-Y82 HydrophobicContact CZ2-CE1 3.89Å; W55-Y82 AromaticContact CZ2-CZ 3.93Å; W55-Y82 WeakPolarHBondContact CZ2-OH 3.02Å; W55-Y82 AromaticContact CZ3-CE1 3.92Å; W55-Y82 HydrophobicContact CZ3-CE1 3.92Å; W55-P83 HydrophobicContact CB-CG 4.48Å; W55-P83 HydrophobicContact CD2-CB 4.14Å; W55-P83 HydrophobicContact CD2-CG 3.58Å; W55-P83 HydrophobicContact CE3-CG 3.69Å; W55-P83 HydrophobicContact CG-CB 4.31Å; W55-P83 HydrophobicContact CG-CG 3.94Å; W55-P83 HydrophobicContact CZ3-CG 4.24Å; W55-H85 AromaticContact CD1-CE1 3.29Å; W55-H85 AromaticContact CD1-ND1 3.77Å; W55-H85 AromaticContact CG-CE1 3.57Å; W55-C208 HydrophobicContact CZ3-CB 4.21Å; W55-N209 WeakPolarHBondContact CH2-OD1 3.13Å; W55-D212 VanDerWaalsContact C-OD1 3.26Å; W55-D212 WeakPolarHBondContact CA-OD1 3.49Å; W55-D212 WeakPolarHBondContact CA-OD2 3.47Å; W55-D212 HydrophobicContact CE3-CB 3.87Å; W55-D212 HydrophobicContact CZ3-CB 3.89Å; W55-D212 PolarHBondContact N-OD1 2.99Å; W55-D212 PolarHBondContact N-OD2 3.01Å
56	D	86.1	Confident	74.1	Confident	38 Å²	38	70 Å²	70	20%	0.203	37%	0.374	C	S	.	.	H	α-helix	trans	-68.8	-40.2	172.2	-82.8	-15	0	0	0	112.2	L52 L53 S59 A60	L52-D56 HydrophobicContact CD2-CB 3.78Å; L53-D56 PolarHBondContact N-OD2 3.36Å; L53-D56 VanDerWaalsContact O-CB 3.3Å; L53-D56 WeakPolarHBondContact O-CB 3.2Å; L53-D56 PolarHBondContact O-N 3.22Å; D56-S59 PolarHBondContact O-N 3.3Å; D56-A60 PolarHBondContact O-N 2.69Å; D56-A60 VanDerWaalsContact O-N 3.08Å
57	G	89.9	Confident	77.3	Confident	13 Å²	13	62.7 Å²	62.7	13%	0.134	34%	0.335	C	S	.	.	H	α-helix	trans	-66.9	-41.6	177.3	0	0	0	0	0	111.5	A60 D212	G57-A60 VanDerWaalsContact O-CB 3.28Å; G57-A60 WeakPolarHBondContact O-CB 3.39Å; G57-A60 PolarHBondContact O-N 3.28Å; G57-D212 WeakPolarHBondContact CA-OD1 3.46Å; G57-D212 PolarHBondContact N-OD1 3.14Å; G57-D212 VanDerWaalsContact N-OD1 3.08Å
58	F	92.8	Very high	80.3	Confident	1 Å²	1	59.5 Å²	59.5	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-60.7	-47	171.9	-179.9	-81.7	0	0	0	110.8	W55 A60 W61 L62 V65 P83 C208 V211 D212	W55-F58 HydrophobicContact CE3-CB 3.84Å; W55-F58 HydrophobicContact CE3-CD2 4.36Å; W55-F58 HydrophobicContact CE3-CG 4.13Å; W55-F58 HydrophobicContact CZ3-CD2 4.49Å; F58-A60 PolarHBondContact O-N 3.33Å; F58-A60 VanDerWaalsContact O-N 3.16Å; F58-W61 PolarHBondContact O-N 3.03Å; F58-L62 HydrophobicContact CD1-CB 4.17Å; F58-L62 HydrophobicContact CE1-CB 3.58Å; F58-L62 HydrophobicContact CE2-CB 4.14Å; F58-L62 HydrophobicContact CE2-CD1 3.78Å; F58-L62 HydrophobicContact CZ-CB 3.56Å; F58-L62 HydrophobicContact CZ-CD1 3.83Å; F58-L62 HydrophobicContact CZ-CG 4.34Å; F58-L62 PolarHBondContact O-N 3.02Å; F58-V65 HydrophobicContact CE2-CG2 4.39Å; F58-V65 HydrophobicContact CZ-CG2 4.22Å; F58-P83 HydrophobicContact CD1-CG 4.21Å; F58-P83 VanDerWaalsContact CE1-CD 3.42Å; F58-P83 HydrophobicContact CE1-CG 4.16Å; F58-P83 HydrophobicContact CZ-CG 4.44Å; F58-C208 HydrophobicContact CD2-CB 4.29Å; F58-C208 HydrophobicContact CE2-CB 4.03Å; F58-V211 HydrophobicContact CD2-CB 4.08Å; F58-V211 HydrophobicContact CD2-CG1 3.66Å; F58-V211 HydrophobicContact CE2-CG1 4.24Å; F58-V211 HydrophobicContact CG-CG1 4.35Å; F58-D212 HydrophobicContact CB-CB 4.08Å; F58-D212 PolarHBondContact N-OD1 3.12Å
59	S	90.9	Very high	83	Confident	50 Å²	50	47.9 Å²	47.9	35%	0.35	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-21.5	178.5	-63.2	0	0	0	0	113.4	W55 D56 W61 L62	W55-S59 WeakPolarHBondContact O-CB 3.33Å; W55-S59 PolarHBondContact O-N 3.03Å; W55-S59 PolarHBondContact O-OG 3.24Å; D56-S59 PolarHBondContact O-N 3.3Å; S59-W61 VanDerWaalsContact C-N 3.26Å; S59-W61 PolarHBondContact O-N 2.83Å; S59-L62 WeakPolarHBondContact CA-O 3.22Å
60	A	90.3	Very high	85.5	Confident	12 Å²	12	48.4 Å²	48.4	10%	0.099	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-24.4	172.8	0	0	0	0	0	112.9	D56 G57 F58 L132 P217	D56-A60 PolarHBondContact O-N 2.69Å; D56-A60 VanDerWaalsContact O-N 3.08Å; G57-A60 VanDerWaalsContact O-CB 3.28Å; G57-A60 WeakPolarHBondContact O-CB 3.39Å; G57-A60 PolarHBondContact O-N 3.28Å; F58-A60 PolarHBondContact O-N 3.33Å; F58-A60 VanDerWaalsContact O-N 3.16Å; A60-L132 HydrophobicContact CB-CD2 4.3Å; A60-P217 WeakPolarHBondContact O-CG 3.06Å
61	W	93.4	Very high	87.7	Confident	3 Å²	3	39.6 Å²	39.6	1%	0.011	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-37.9	-175.1	-68.1	92.4	0	0	0	114.2	F58 S59 S177 L179 Y181 F184 F185 W214 P215 P217 L223 L225 I236	F58-W61 PolarHBondContact O-N 3.03Å; S59-W61 VanDerWaalsContact C-N 3.26Å; S59-W61 PolarHBondContact O-N 2.83Å; W61-S177 WeakPolarHBondContact O-CB 3.28Å; W61-S177 PolarHBondContact O-OG 2.94Å; W61-L179 HydrophobicContact CE3-CD1 4.21Å; W61-Y181 HydrophobicContact CZ3-CD2 4.15Å; W61-Y181 HydrophobicContact CZ3-CE2 4.18Å; W61-F184 HydrophobicContact CE3-CD1 4.35Å; W61-F184 AromaticContact CE3-CE1 3.58Å; W61-F184 HydrophobicContact CE3-CE1 3.58Å; W61-F184 HydrophobicContact CE3-CZ 4.13Å; W61-F184 HydrophobicContact CH2-CZ 4.44Å; W61-F184 HydrophobicContact CZ3-CD1 4.11Å; W61-F184 AromaticContact CZ3-CE1 3.53Å; W61-F184 HydrophobicContact CZ3-CE1 3.53Å; W61-F184 AromaticContact CZ3-CZ 3.84Å; W61-F184 HydrophobicContact CZ3-CZ 3.84Å; W61-F185 WeakPolarHBondContact O-CZ 3.48Å; W61-W214 HydrophobicContact CB-CE3 4.37Å; W61-W214 AromaticContact CD1-CE3 3.84Å; W61-W214 AromaticContact CD2-CE3 3.79Å; W61-W214 HydrophobicContact CD2-CE3 3.79Å; W61-W214 HydrophobicContact CD2-CZ3 4.23Å; W61-W214 AromaticContact CE2-CE3 3.89Å; W61-W214 HydrophobicContact CE3-CE3 4.38Å; W61-W214 HydrophobicContact CE3-CZ3 4.42Å; W61-W214 AromaticContact CG-CE3 3.77Å; W61-W214 HydrophobicContact CG-CE3 3.77Å; W61-W214 HydrophobicContact CG-CZ3 4.3Å; W61-W214 AromaticContact NE1-CE3 3.93Å; W61-P215 WeakPolarHBondContact CZ2-O 3.34Å; W61-P215 PolarHBondContact NE1-O 3.14Å; W61-P217 HydrophobicContact CD2-CB 4.2Å; W61-P217 HydrophobicContact CE3-CB 4.18Å; W61-P217 HydrophobicContact CH2-CB 3.8Å; W61-P217 HydrophobicContact CZ2-CB 3.78Å; W61-P217 HydrophobicContact CZ3-CB 3.99Å; W61-L223 HydrophobicContact CH2-CD1 3.87Å; W61-L223 HydrophobicContact CZ2-CD1 3.8Å; W61-L225 HydrophobicContact CH2-CD1 3.66Å; W61-L225 HydrophobicContact CZ2-CD1 3.88Å; W61-L225 HydrophobicContact CZ2-CD2 4Å; W61-L225 HydrophobicContact CZ3-CD1 4.29Å; W61-I236 HydrophobicContact CH2-CD1 4.1Å
62	L	94.9	Very high	89.4	Confident	8 Å²	8	40.9 Å²	40.9	4%	0.042	21%	0.207	C	C	.	.			trans	-135.1	146.5	-171.4	-65.9	-179.6	0	0	0	111.4	F58 S59 V65 L175 F185 V211	F58-L62 HydrophobicContact CD1-CB 4.17Å; F58-L62 HydrophobicContact CE1-CB 3.58Å; F58-L62 HydrophobicContact CE2-CB 4.14Å; F58-L62 HydrophobicContact CE2-CD1 3.78Å; F58-L62 HydrophobicContact CZ-CB 3.56Å; F58-L62 HydrophobicContact CZ-CD1 3.83Å; F58-L62 HydrophobicContact CZ-CG 4.34Å; F58-L62 PolarHBondContact O-N 3.02Å; S59-L62 WeakPolarHBondContact CA-O 3.22Å; L62-V65 HydrophobicContact CD1-CG2 4.1Å; L62-L175 HydrophobicContact CD1-CD2 4.22Å; L62-L175 HydrophobicContact CD2-CB 3.9Å; L62-F185 HydrophobicContact CD2-CD1 4.04Å; L62-F185 HydrophobicContact CD2-CE1 3.49Å; L62-F185 VanDerWaalsContact CD2-CE1 3.49Å; L62-F185 HydrophobicContact CD2-CZ 4.04Å; L62-F185 HydrophobicContact CG-CE1 4.29Å; L62-V211 HydrophobicContact CD1-CG1 4.31Å
63	H	92.9	Very high	90.6	Very high	52 Å²	52	43.1 Å²	43.1	24%	0.241	21%	0.214	C	C	.	.	S	Bend	trans	-85.2	-40.6	168.7	179.3	85.9	0	0	0	111.1	S86 K87 R124 F150 I176	H63-S86 WeakPolarHBondContact O-CB 3.47Å; H63-S86 PolarHBondContact O-OG 3.47Å; H63-K87 PolarHBondContact NE2-O 2.94Å; H63-R124 PolarHBondContact CE1-NH1 3.2Å; H63-F150 HydrophobicContact CB-CE1 3.77Å; H63-F150 HydrophobicContact CB-CZ 4.22Å; H63-F150 AromaticContact CG-CE1 3.75Å; H63-F150 AromaticContact CG-CZ 3.67Å; H63-F150 AromaticContact ND1-CE1 3.9Å; H63-F150 AromaticContact ND1-CZ 3.58Å; H63-I176 HydrophobicContact CB-CG2 4.25Å; H63-I176 PolarHBondContact N-O 3.01Å
64	C	95.8	Very high	91	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	167.6	168.7	58.8	0	0	0	0	110.8	I81 Y82 I176	C64-I81 HydrophobicContact CB-CG2 4.14Å; C64-Y82 CarbonylContact C-O 3.59Å; C64-Y82 VanDerWaalsContact CA-O 3.28Å; C64-Y82 WeakPolarHBondContact CA-O 3.4Å; C64-Y82 WeakPolarHBondContact CB-O 3.26Å; C64-I176 PolarHBondContact O-N 2.77Å
65	V	97.8	Very high	91.4	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.7	155.8	-172.3	0	0	0	0	108.4	F58 L62 I81 Y82 L173 V174 L175 L204	F58-V65 HydrophobicContact CE2-CG2 4.39Å; F58-V65 HydrophobicContact CZ-CG2 4.22Å; L62-V65 HydrophobicContact CD1-CG2 4.1Å; V65-I81 WeakPolarHBondContact O-CA 3.35Å; V65-Y82 PolarHBondContact N-O 3Å; V65-Y82 PolarHBondContact O-N 2.99Å; V65-L173 HydrophobicContact CG1-CD1 3.55Å; V65-L173 HydrophobicContact CG1-CG 4.19Å; V65-V174 CarbonylContact C-O 3.6Å; V65-V174 WeakPolarHBondContact CA-O 3.48Å; V65-L175 HydrophobicContact CB-CD2 4.33Å; V65-L175 HydrophobicContact CG1-CD2 3.96Å; V65-L175 HydrophobicContact CG2-CD2 3.62Å; V65-L204 HydrophobicContact CB-CD1 4.28Å; V65-L204 HydrophobicContact CG1-CD1 3.87Å; V65-L204 HydrophobicContact CG1-CD2 4.31Å; V65-L204 HydrophobicContact CG2-CD1 4.4Å
66	C	97.7	Very high	91.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.9	171.7	-64.6	0	0	0	0	110	V78 V80 I96 V174	C66-V78 HydrophobicContact CB-CG1 4.4Å; C66-V80 WeakPolarHBondContact CA-O 3.48Å; C66-I96 HydrophobicContact CB-CG2 4.19Å; C66-V174 HydrophobicContact CB-CB 4.29Å; C66-V174 PolarHBondContact N-O 3.08Å; C66-V174 WeakPolarHBondContact O-CB 3.31Å; C66-V174 PolarHBondContact O-N 3.28Å
67	V	97.3	Very high	91.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.1	168.2	178.6	0	0	0	0	107.6	V78 E79 V80 K171 S172 L173 Y196 L204	V67-V78 CarbonylContact O-C 2.98Å; V67-V78 WeakPolarHBondContact O-CA 3.47Å; V67-V78 WeakPolarHBondContact O-CG1 3.48Å; V67-E79 HydrophobicContact CB-CB 4.48Å; V67-E79 HydrophobicContact CG1-CB 4.24Å; V67-E79 PolarHBondContact O-N 3.3Å; V67-V80 HydrophobicContact CB-CB 3.89Å; V67-V80 HydrophobicContact CB-CG2 4.15Å; V67-V80 HydrophobicContact CG2-CB 3.87Å; V67-V80 HydrophobicContact CG2-CG2 4.23Å; V67-V80 PolarHBondContact N-O 3.02Å; V67-K171 HydrophobicContact CG1-CD 4.39Å; V67-K171 HydrophobicContact CG1-CG 4.32Å; V67-S172 WeakPolarHBondContact CA-O 3.45Å; V67-L173 HydrophobicContact CG2-CD1 3.76Å; V67-Y196 HydrophobicContact CG1-CE1 3.93Å; V67-Y196 WeakPolarHBondContact CG1-OH 3.48Å; V67-Y196 HydrophobicContact CG2-CE1 3.77Å; V67-Y196 HydrophobicContact CG2-CE2 4.41Å; V67-Y196 WeakPolarHBondContact CG2-OH 3.47Å; V67-L204 HydrophobicContact CG2-CD2 3.95Å
68	V	96.9	Very high	92.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.3	179.6	-168.7	0	0	0	0	109.5	Q76 A77 I96 C97 F101 S172 V174	V68-Q76 HydrophobicContact CG1-CB 4.41Å; V68-A77 CarbonylContact C-O 3.3Å; V68-A77 VanDerWaalsContact CA-O 3.3Å; V68-A77 WeakPolarHBondContact CA-O 3.39Å; V68-A77 WeakPolarHBondContact CG1-O 3.47Å; V68-I96 HydrophobicContact CG2-CG2 3.98Å; V68-C97 HydrophobicContact CG1-CB 4.43Å; V68-F101 HydrophobicContact CB-CE2 3.99Å; V68-F101 HydrophobicContact CG1-CD2 4.08Å; V68-F101 HydrophobicContact CG1-CE2 3.59Å; V68-S172 PolarHBondContact N-O 3.01Å; V68-S172 PolarHBondContact O-N 3.12Å; V68-V174 HydrophobicContact CG2-CG2 4.05Å
69	G	94.1	Very high	92.2	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	174.9	175.5	0	0	0	0	0	112.7	Q76 A77 E79	G69-Q76 WeakPolarHBondContact O-CA 3.31Å; G69-A77 PolarHBondContact N-O 3.22Å; G69-A77 PolarHBondContact O-N 2.89Å; G69-A77 VanDerWaalsContact O-N 3.08Å; G69-E79 VanDerWaalsContact CA-OE1 3.23Å; G69-E79 WeakPolarHBondContact CA-OE1 3.44Å
70	F	90.1	Very high	92.4	Very high	64 Å²	64	41.9 Å²	41.9	28%	0.281	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	101.1	165.3	-168.4	-81.6	0	0	0	109.6	Q76 F101 R166 Q170	F70-Q76 HydrophobicContact CD2-CG 4.35Å; F70-F101 HydrophobicContact CB-CE1 3.98Å; F70-F101 HydrophobicContact CB-CZ 4.22Å; F70-F101 HydrophobicContact CD2-CE1 4.24Å; F70-R166 VanDerWaalsContact CE1-NE 3.27Å; F70-Q170 HydrophobicContact CB-CB 4.43Å
71	D	88.1	Confident	92.6	Very high	67 Å²	67	43.2 Å²	43.2	36%	0.358	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	153.4	169.3	178.9	-106.3	0	0	0	111.2	E73 L74 G75	D71-E73 WeakPolarHBondContact OD1-CA 3.37Å; D71-E73 PolarHBondContact OD1-N 3.28Å; D71-L74 HydrophobicContact CB-CB 4.27Å; D71-L74 PolarHBondContact OD1-N 2.93Å; D71-G75 PolarHBondContact N-O 2.91Å; D71-G75 VanDerWaalsContact O-CA 3.32Å; D71-G75 WeakPolarHBondContact O-CA 3.35Å; D71-G75 PolarHBondContact O-N 3.32Å
72	L	84.1	Confident	92.6	Very high	99 Å²	99	44 Å²	44	52%	0.518	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-20.3	-175.7	-65.6	176.1	0	0	0	114.1	K165 R166	L72-K165 HydrophobicContact CD1-CB 4.2Å; L72-K165 HydrophobicContact CD1-CD 3.77Å; L72-R166 HydrophobicContact CD2-CB 4.35Å
73	E	84.4	Confident	92.5	Very high	186 Å²	186	43.7 Å²	43.7	87%	0.869	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-38.9	-178.1	-59.6	-176.3	-173.1	0	0	111.3	D71	D71-E73 WeakPolarHBondContact OD1-CA 3.37Å; D71-E73 PolarHBondContact OD1-N 3.28Å
74	L	83.6	Confident	92.2	Very high	139 Å²	139	49.4 Å²	49.4	73%	0.728	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-20.9	-177.8	-56.1	178.2	0	0	0	114	D71	D71-L74 HydrophobicContact CB-CB 4.27Å; D71-L74 PolarHBondContact OD1-N 2.93Å
75	G	89.2	Confident	91.6	Very high	13 Å²	13	54.4 Å²	54.4	13%	0.134	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	79.4	-135.8	-172.5	0	0	0	0	0	112.6	D71 A77	D71-G75 PolarHBondContact N-O 2.91Å; D71-G75 VanDerWaalsContact O-CA 3.32Å; D71-G75 WeakPolarHBondContact O-CA 3.35Å; D71-G75 PolarHBondContact O-N 3.32Å; G75-A77 PolarHBondContact O-N 2.99Å
76	Q	91.9	Very high	91.1	Very high	53 Å²	53	55.3 Å²	55.3	25%	0.248	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	114.8	179.4	-62.4	82.6	-2.2	0	0	110.9	V68 G69 F70 C97 F101	V68-Q76 HydrophobicContact CG1-CB 4.41Å; G69-Q76 WeakPolarHBondContact O-CA 3.31Å; F70-Q76 HydrophobicContact CD2-CG 4.35Å; Q76-C97 HydrophobicContact CB-CB 4.03Å; Q76-C97 WeakPolarHBondContact O-CB 3.5Å; Q76-C97 PolarHBondContact O-SG 2.94Å; Q76-C97 VanDerWaalsContact O-SG 3.36Å; Q76-F101 HydrophobicContact CB-CD2 4.39Å; Q76-F101 HydrophobicContact CG-CB 4.04Å; Q76-F101 HydrophobicContact CG-CD1 3.92Å; Q76-F101 HydrophobicContact CG-CD2 3.77Å; Q76-F101 HydrophobicContact CG-CE1 4.31Å; Q76-F101 HydrophobicContact CG-CE2 4.21Å; Q76-F101 HydrophobicContact CG-CG 3.63Å; Q76-F101 HydrophobicContact CG-CZ 4.46Å
77	A	94	Very high	90.5	Very high	26 Å²	26	63.4 Å²	63.4	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.9	-175.9	0	0	0	0	0	111.4	V68 G69 G75 E79	V68-A77 CarbonylContact C-O 3.3Å; V68-A77 VanDerWaalsContact CA-O 3.3Å; V68-A77 WeakPolarHBondContact CA-O 3.39Å; V68-A77 WeakPolarHBondContact CG1-O 3.47Å; G69-A77 PolarHBondContact N-O 3.22Å; G69-A77 PolarHBondContact O-N 2.89Å; G69-A77 VanDerWaalsContact O-N 3.08Å; G75-A77 PolarHBondContact O-N 2.99Å; A77-E79 PolarHBondContact O-N 3.28Å
78	V	95	Very high	90.2	Very high	38 Å²	38	64.2 Å²	64.2	23%	0.23	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	117.4	170.4	-170.9	0	0	0	0	108.3	C66 V67 V80 I81 K93 C97	C66-V78 HydrophobicContact CB-CG1 4.4Å; V67-V78 CarbonylContact O-C 2.98Å; V67-V78 WeakPolarHBondContact O-CA 3.47Å; V67-V78 WeakPolarHBondContact O-CG1 3.48Å; V78-V80 WeakPolarHBondContact CG1-O 3.49Å; V78-I81 HydrophobicContact CG1-CD1 4.22Å; V78-I81 HydrophobicContact CG1-CG1 3.63Å; V78-K93 HydrophobicContact CG2-CB 4.35Å; V78-C97 VanDerWaalsContact CG2-SG 3.51Å
79	E	94	Very high	89.9	Confident	100 Å²	100	66.3 Å²	66.3	47%	0.467	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-47	175.1	-62	177.6	-161.5	0	0	111.1	V67 G69 A77 K171	V67-E79 HydrophobicContact CB-CB 4.48Å; V67-E79 HydrophobicContact CG1-CB 4.24Å; V67-E79 PolarHBondContact O-N 3.3Å; G69-E79 VanDerWaalsContact CA-OE1 3.23Å; G69-E79 WeakPolarHBondContact CA-OE1 3.44Å; A77-E79 PolarHBondContact O-N 3.28Å; E79-K171 VanDerWaalsContact CD-NZ 3.32Å; E79-K171 VanDerWaalsContact OE1-CE 3.3Å; E79-K171 WeakPolarHBondContact OE1-CE 3.3Å; E79-K171 IonicContact OE1-NZ 3.8Å; E79-K171 PolarHBondContact OE1-NZ 3.14Å; E79-K171 WeakPolarHBondContact OE2-CE 3.46Å; E79-K171 IonicContact OE2-NZ 2.75Å; E79-K171 PolarHBondContact OE2-NZ 3.43Å
80	V	94.6	Very high	89.8	Confident	16 Å²	16	71.4 Å²	71.4	10%	0.097	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.9	-171.9	-169.9	0	0	0	0	109.9	C66 V67 V78 E201	C66-V80 WeakPolarHBondContact CA-O 3.48Å; V67-V80 HydrophobicContact CB-CB 3.89Å; V67-V80 HydrophobicContact CB-CG2 4.15Å; V67-V80 HydrophobicContact CG2-CB 3.87Å; V67-V80 HydrophobicContact CG2-CG2 4.23Å; V67-V80 PolarHBondContact N-O 3.02Å; V78-V80 WeakPolarHBondContact CG1-O 3.49Å; V80-E201 HydrophobicContact CG1-CG 4.42Å; V80-E201 HydrophobicContact CG2-CG 3.95Å
81	I	95.4	Very high	89.8	Confident	41 Å²	41	73.4 Å²	73.4	21%	0.21	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.7	166.7	-59	172.2	0	0	0	107.2	C64 V65 V78 L88	C64-I81 HydrophobicContact CB-CG2 4.14Å; V65-I81 WeakPolarHBondContact O-CA 3.35Å; V78-I81 HydrophobicContact CG1-CD1 4.22Å; V78-I81 HydrophobicContact CG1-CG1 3.63Å; I81-L88 HydrophobicContact CD1-CD1 4.23Å
82	Y	93.1	Very high	90	Very high	18 Å²	18	70.3 Å²	70.3	7%	0.071	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.8	179.1	-159.5	-78.9	0	0	0	111.7	W55 C64 V65 E205 C208	W55-Y82 AromaticContact CH2-CE1 3.46Å; W55-Y82 HydrophobicContact CH2-CE1 3.46Å; W55-Y82 VanDerWaalsContact CH2-CE1 3.46Å; W55-Y82 AromaticContact CH2-CZ 3.78Å; W55-Y82 WeakPolarHBondContact CH2-OH 3.39Å; W55-Y82 AromaticContact CZ2-CE1 3.89Å; W55-Y82 HydrophobicContact CZ2-CE1 3.89Å; W55-Y82 AromaticContact CZ2-CZ 3.93Å; W55-Y82 WeakPolarHBondContact CZ2-OH 3.02Å; W55-Y82 AromaticContact CZ3-CE1 3.92Å; W55-Y82 HydrophobicContact CZ3-CE1 3.92Å; C64-Y82 CarbonylContact C-O 3.59Å; C64-Y82 VanDerWaalsContact CA-O 3.28Å; C64-Y82 WeakPolarHBondContact CA-O 3.4Å; C64-Y82 WeakPolarHBondContact CB-O 3.26Å; V65-Y82 PolarHBondContact N-O 3Å; V65-Y82 PolarHBondContact O-N 2.99Å; Y82-E205 HydrophobicContact CE2-CB 3.93Å; Y82-E205 HydrophobicContact CE2-CG 4.14Å; Y82-E205 WeakPolarHBondContact OH-CG 3.3Å; Y82-E205 PolarHBondContact OH-OE1 1.95Å; Y82-C208 HydrophobicContact CD1-CB 3.43Å; Y82-C208 VanDerWaalsContact CD1-CB 3.43Å; Y82-C208 WeakPolarHBondContact CD1-SG 3.43Å; Y82-C208 HydrophobicContact CE1-CB 3.32Å
83	P	91.7	Very high	90.5	Very high	2 Å²	2	68.8 Å²	68.8	1%	0.013	34%	0.341	C	S	.	.	S	Bend	cis	-59.4	152.1	-12.2	-26.1	36.2	0	0	0	112.8	W55 F58 H85 S86	W55-P83 HydrophobicContact CB-CG 4.48Å; W55-P83 HydrophobicContact CD2-CB 4.14Å; W55-P83 HydrophobicContact CD2-CG 3.58Å; W55-P83 HydrophobicContact CE3-CG 3.69Å; W55-P83 HydrophobicContact CG-CB 4.31Å; W55-P83 HydrophobicContact CG-CG 3.94Å; W55-P83 HydrophobicContact CZ3-CG 4.24Å; F58-P83 HydrophobicContact CD1-CG 4.21Å; F58-P83 VanDerWaalsContact CE1-CD 3.42Å; F58-P83 HydrophobicContact CE1-CG 4.16Å; F58-P83 HydrophobicContact CZ-CG 4.44Å; P83-H85 VanDerWaalsContact CB-CE1 3.44Å; P83-H85 WeakPolarHBondContact CB-CE1 3.47Å; P83-H85 WeakPolarHBondContact CB-ND1 3.44Å; P83-H85 PolarHBondContact O-N 3.26Å; P83-S86 VanDerWaalsContact O-CB 3.32Å; P83-S86 WeakPolarHBondContact O-CB 3.43Å; P83-S86 PolarHBondContact O-N 3.44Å
84	Q	86.6	Confident	90.9	Very high	172 Å²	172	63.2 Å²	63.2	80%	0.804	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.8	-175.5	-65.2	177.8	-6.8	0	0	114.1
85	H	83.5	Confident	91.4	Very high	106 Å²	106	56.8 Å²	56.8	49%	0.491	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.8	177.9	74.8	-92.1	0	0	0	113.6	W55 P83 K87	W55-H85 AromaticContact CD1-CE1 3.29Å; W55-H85 AromaticContact CD1-ND1 3.77Å; W55-H85 AromaticContact CG-CE1 3.57Å; P83-H85 VanDerWaalsContact CB-CE1 3.44Å; P83-H85 WeakPolarHBondContact CB-CE1 3.47Å; P83-H85 WeakPolarHBondContact CB-ND1 3.44Å; P83-H85 PolarHBondContact O-N 3.26Å; H85-K87 PolarHBondContact O-N 3.5Å
86	S	87.1	Confident	91.7	Very high	20 Å²	20	56.1 Å²	56.1	14%	0.14	28%	0.279	C	S	.	.			trans	-67.7	119.6	-177.6	-76.8	0	0	0	0	111.7	H63 P83	H63-S86 WeakPolarHBondContact O-CB 3.47Å; H63-S86 PolarHBondContact O-OG 3.47Å; P83-S86 VanDerWaalsContact O-CB 3.32Å; P83-S86 WeakPolarHBondContact O-CB 3.43Å; P83-S86 PolarHBondContact O-N 3.44Å
87	K	85.8	Confident	91.9	Very high	170 Å²	170	54.1 Å²	54.1	74%	0.739	27%	0.271	S	S	*	.			trans	-86.6	125.5	-173.6	-59.5	-177.3	-177.2	176.3	0	111.1	H63 H85 R124	H63-K87 PolarHBondContact NE2-O 2.94Å; H85-K87 PolarHBondContact O-N 3.5Å; K87-R124 PolarHBondContact O-NH1 2.89Å; K87-R124 PolarHBondContact O-NH2 3.24Å; K87-R124 VanDerWaalsContact O-NH2 3.1Å
88	L	90.3	Very high	91.8	Very high	17 Å²	17	56.5 Å²	56.5	9%	0.089	28%	0.275	C	S	.	.			trans	-123.7	139.5	167.8	-70	177.4	0	0	0	108.7	I81 E92 K93 I96	I81-L88 HydrophobicContact CD1-CD1 4.23Å; L88-E92 WeakPolarHBondContact CA-OE2 3.32Å; L88-E92 HydrophobicContact CB-CB 4.49Å; L88-E92 HydrophobicContact CD2-CB 4.34Å; L88-K93 HydrophobicContact CB-CG 3.99Å; L88-I96 HydrophobicContact CD1-CD1 3.72Å; L88-I96 HydrophobicContact CD2-CD1 4.3Å
89	T	91.7	Very high	91.8	Very high	43 Å²	43	54.7 Å²	54.7	26%	0.264	26%	0.264	S	S	.	.			trans	-75.9	158.9	171.2	72.6	0	0	0	0	109.9	K91 E92 K93 S121	T89-K91 PolarHBondContact O-N 3.08Å; T89-E92 PolarHBondContact N-OE2 2.82Å; T89-E92 WeakPolarHBondContact O-CA 3.45Å; T89-E92 WeakPolarHBondContact O-CB 3.45Å; T89-E92 PolarHBondContact O-N 3.39Å; T89-E92 VanDerWaalsContact OG1-CG 3.3Å; T89-E92 WeakPolarHBondContact OG1-CG 3.29Å; T89-E92 PolarHBondContact OG1-N 2.85Å; T89-K93 WeakPolarHBondContact O-CG 3.45Å; T89-K93 PolarHBondContact O-N 3.4Å; T89-S121 VanDerWaalsContact CG2-OG 3.32Å; T89-S121 WeakPolarHBondContact CG2-OG 3.27Å; T89-S121 PolarHBondContact OG1-OG 3.22Å
90	D	90.9	Very high	92	Very high	110 Å²	110	50 Å²	50	59%	0.588	24%	0.242	S	C	*	.	H	α-helix	trans	-66.5	-27.4	-179.5	-50.6	-63.8	0	0	0	112.2	K93 T94	D90-K93 PolarHBondContact O-N 2.96Å; D90-K93 WeakPolarHBondContact OD1-CE 3.48Å; D90-K93 IonicContact OD1-NZ 3.48Å; D90-K93 PolarHBondContact OD1-NZ 2.98Å; D90-T94 WeakPolarHBondContact O-CB 3.49Å; D90-T94 PolarHBondContact O-N 3.29Å; D90-T94 PolarHBondContact O-OG1 2.87Å
91	K	90.6	Very high	91.9	Very high	106 Å²	106	49.5 Å²	49.5	46%	0.461	24%	0.238	S	C	.	.	H	α-helix	trans	-62	-43.1	167.7	-170.3	-172.3	178.7	-166.3	0	111.8	T89 N95 S334	T89-K91 PolarHBondContact O-N 3.08Å; K91-N95 WeakPolarHBondContact O-CB 3.4Å; K91-N95 PolarHBondContact O-N 3.42Å; K91-S334 WeakPolarHBondContact CE-OG 3.49Å; K91-S334 PolarHBondContact NZ-OG 2.97Å
92	E	92.7	Very high	91.8	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-68.3	-42.3	178.2	-69.3	160	-171	0	0	111.6	L88 T89 N95 I96 F118 S121 R124	L88-E92 WeakPolarHBondContact CA-OE2 3.32Å; L88-E92 HydrophobicContact CB-CB 4.49Å; L88-E92 HydrophobicContact CD2-CB 4.34Å; T89-E92 PolarHBondContact N-OE2 2.82Å; T89-E92 WeakPolarHBondContact O-CA 3.45Å; T89-E92 WeakPolarHBondContact O-CB 3.45Å; T89-E92 PolarHBondContact O-N 3.39Å; T89-E92 VanDerWaalsContact OG1-CG 3.3Å; T89-E92 WeakPolarHBondContact OG1-CG 3.29Å; T89-E92 PolarHBondContact OG1-N 2.85Å; E92-N95 PolarHBondContact O-N 2.93Å; E92-I96 WeakPolarHBondContact O-CB 3.12Å; E92-I96 WeakPolarHBondContact O-CD1 3.37Å; E92-I96 VanDerWaalsContact O-CG1 3.25Å; E92-I96 WeakPolarHBondContact O-CG1 3.3Å; E92-I96 PolarHBondContact O-N 3.35Å; E92-F118 HydrophobicContact CB-CE2 4.2Å; E92-F118 HydrophobicContact CG-CE2 4.12Å; E92-S121 VanDerWaalsContact CD-OG 3.3Å; E92-S121 WeakPolarHBondContact OE1-CB 3.48Å; E92-S121 PolarHBondContact OE1-N 3.37Å; E92-S121 PolarHBondContact OE1-OG 3.02Å; E92-R124 IonicContact OE1-CZ 3.94Å; E92-R124 IonicContact OE1-NH2 3.26Å; E92-R124 IonicContact OE2-CZ 3.05Å; E92-R124 IonicContact OE2-NH1 3.86Å; E92-R124 IonicContact OE2-NH2 2.69Å; E92-R124 PolarHBondContact OE2-NH2 2.97Å
93	K	93.8	Very high	91.5	Very high	68 Å²	68	48.6 Å²	48.6	30%	0.296	24%	0.236	S	C	.	.	H	α-helix	trans	-57	-50.6	173.2	-63.9	173.9	-164.5	163.2	0	111	V78 L88 T89 D90 N95 I96 C97	V78-K93 HydrophobicContact CG2-CB 4.35Å; L88-K93 HydrophobicContact CB-CG 3.99Å; T89-K93 WeakPolarHBondContact O-CG 3.45Å; T89-K93 PolarHBondContact O-N 3.4Å; D90-K93 PolarHBondContact O-N 2.96Å; D90-K93 WeakPolarHBondContact OD1-CE 3.48Å; D90-K93 IonicContact OD1-NZ 3.48Å; D90-K93 PolarHBondContact OD1-NZ 2.98Å; K93-N95 PolarHBondContact O-N 3.38Å; K93-I96 CarbonylContact O-C 3.55Å; K93-I96 WeakPolarHBondContact O-CB 3.37Å; K93-I96 PolarHBondContact O-N 3.28Å; K93-I96 VanDerWaalsContact O-N 3.13Å; K93-C97 PolarHBondContact O-N 2.97Å; K93-C97 PolarHBondContact O-SG 3.39Å; K93-C97 VanDerWaalsContact O-SG 3.37Å
94	T	92.9	Very high	90.8	Very high	68 Å²	68	49.8 Å²	49.8	42%	0.417	25%	0.245	S	C	.	.	H	α-helix	trans	-61.8	-41.4	178.9	-62.3	0	0	0	0	112.5	D90 C97 Y98	D90-T94 WeakPolarHBondContact O-CB 3.49Å; D90-T94 PolarHBondContact O-N 3.29Å; D90-T94 PolarHBondContact O-OG1 2.87Å; T94-C97 WeakPolarHBondContact O-CB 3.47Å; T94-C97 PolarHBondContact O-N 3.18Å; T94-Y98 HydrophobicContact CG2-CD2 3.79Å; T94-Y98 HydrophobicContact CG2-CE2 3.56Å; T94-Y98 WeakPolarHBondContact O-CD2 3.3Å; T94-Y98 PolarHBondContact O-N 3.45Å; T94-Y98 VanDerWaalsContact O-N 3.16Å
95	N	94	Very high	89.9	Confident	4 Å²	4	46 Å²	46	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-42.9	173.1	-79.4	-4.5	0	0	0	111.4	K91 E92 K93 L99 S334	K91-N95 WeakPolarHBondContact O-CB 3.4Å; K91-N95 PolarHBondContact O-N 3.42Å; E92-N95 PolarHBondContact O-N 2.93Å; K93-N95 PolarHBondContact O-N 3.38Å; N95-L99 HydrophobicContact CB-CD1 4.4Å; N95-L99 WeakPolarHBondContact O-CB 3.4Å; N95-L99 WeakPolarHBondContact O-CG 3.22Å; N95-L99 PolarHBondContact O-N 3.2Å; N95-S334 PolarHBondContact ND2-OG 3.27Å; N95-S334 WeakPolarHBondContact OD1-CB 3.45Å; N95-S334 PolarHBondContact OD1-OG 3.49Å
96	I	96.1	Very high	89	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-45.4	175.5	-70.5	162.2	0	0	0	110.7	C66 V68 L88 E92 K93 Y98 S100 F116 F118 I176	C66-I96 HydrophobicContact CB-CG2 4.19Å; V68-I96 HydrophobicContact CG2-CG2 3.98Å; L88-I96 HydrophobicContact CD1-CD1 3.72Å; L88-I96 HydrophobicContact CD2-CD1 4.3Å; E92-I96 WeakPolarHBondContact O-CB 3.12Å; E92-I96 WeakPolarHBondContact O-CD1 3.37Å; E92-I96 VanDerWaalsContact O-CG1 3.25Å; E92-I96 WeakPolarHBondContact O-CG1 3.3Å; E92-I96 PolarHBondContact O-N 3.35Å; K93-I96 CarbonylContact O-C 3.55Å; K93-I96 WeakPolarHBondContact O-CB 3.37Å; K93-I96 PolarHBondContact O-N 3.28Å; K93-I96 VanDerWaalsContact O-N 3.13Å; I96-Y98 PolarHBondContact O-N 3.4Å; I96-S100 WeakPolarHBondContact O-CB 3.41Å; I96-S100 PolarHBondContact O-N 3.42Å; I96-S100 PolarHBondContact O-OG 2.85Å; I96-F116 HydrophobicContact CB-CZ 4.47Å; I96-F116 HydrophobicContact CG1-CE2 4.31Å; I96-F116 HydrophobicContact CG1-CZ 4.19Å; I96-F118 HydrophobicContact CD1-CZ 4Å; I96-F118 HydrophobicContact CG1-CE1 4.37Å; I96-F118 HydrophobicContact CG1-CE2 4.43Å; I96-F118 HydrophobicContact CG1-CZ 3.93Å; I96-I176 HydrophobicContact CD1-CD1 3.75Å; I96-I176 HydrophobicContact CD1-CG1 4.09Å; I96-I176 HydrophobicContact CG1-CD1 3.93Å
97	C	95.1	Very high	88	Confident	11 Å²	11	47 Å²	47	7%	0.074	26%	0.262	C	S	.	.	H	α-helix	trans	-52.8	-55	176.8	-74.9	0	0	0	0	112.6	V68 Q76 V78 K93 T94	V68-C97 HydrophobicContact CG1-CB 4.43Å; Q76-C97 HydrophobicContact CB-CB 4.03Å; Q76-C97 WeakPolarHBondContact O-CB 3.5Å; Q76-C97 PolarHBondContact O-SG 2.94Å; Q76-C97 VanDerWaalsContact O-SG 3.36Å; V78-C97 VanDerWaalsContact CG2-SG 3.51Å; K93-C97 PolarHBondContact O-N 2.97Å; K93-C97 PolarHBondContact O-SG 3.39Å; K93-C97 VanDerWaalsContact O-SG 3.37Å; T94-C97 WeakPolarHBondContact O-CB 3.47Å; T94-C97 PolarHBondContact O-N 3.18Å
98	Y	93.2	Very high	87.5	Confident	75 Å²	75	39 Å²	39	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-79.1	-26	-175	-66.3	-51.6	0	0	0	114.6	T94 I96 H332	T94-Y98 HydrophobicContact CG2-CD2 3.79Å; T94-Y98 HydrophobicContact CG2-CE2 3.56Å; T94-Y98 WeakPolarHBondContact O-CD2 3.3Å; T94-Y98 PolarHBondContact O-N 3.45Å; T94-Y98 VanDerWaalsContact O-N 3.16Å; I96-Y98 PolarHBondContact O-N 3.4Å; Y98-H332 HydrophobicContact CD1-CB 3.98Å; Y98-H332 HydrophobicContact CD2-CB 3.77Å; Y98-H332 HydrophobicContact CE2-CB 4.36Å; Y98-H332 HydrophobicContact CG-CB 3.55Å
99	L	95.8	Very high	87.2	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-86	-13.2	176.7	-63.1	173.2	0	0	0	112.9	N95 F114 F116 F118 T330	N95-L99 HydrophobicContact CB-CD1 4.4Å; N95-L99 WeakPolarHBondContact O-CB 3.4Å; N95-L99 WeakPolarHBondContact O-CG 3.22Å; N95-L99 PolarHBondContact O-N 3.2Å; L99-F114 VanDerWaalsContact O-CE2 3.32Å; L99-F114 WeakPolarHBondContact O-CE2 3.47Å; L99-F116 HydrophobicContact CB-CB 4.09Å; L99-F116 HydrophobicContact CB-CD1 3.66Å; L99-F116 HydrophobicContact CB-CD2 3.66Å; L99-F116 HydrophobicContact CB-CE1 3.86Å; L99-F116 HydrophobicContact CB-CE2 3.87Å; L99-F116 HydrophobicContact CB-CG 3.56Å; L99-F116 HydrophobicContact CB-CZ 3.97Å; L99-F116 HydrophobicContact CD1-CB 4.29Å; L99-F116 HydrophobicContact CD1-CD2 3.51Å; L99-F116 HydrophobicContact CD1-CE2 3.99Å; L99-F116 HydrophobicContact CD1-CG 4.05Å; L99-F116 HydrophobicContact CG-CD2 4.23Å; L99-F116 HydrophobicContact CG-CG 4.38Å; L99-F116 WeakPolarHBondContact O-CD1 3.3Å; L99-F118 HydrophobicContact CD1-CB 4.27Å; L99-T330 HydrophobicContact CD2-CG2 4.08Å
100	S	96.4	Very high	87.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-89.1	1.4	177.9	-55.4	0	0	0	0	114.3	I96 F116 S172 V174	I96-S100 WeakPolarHBondContact O-CB 3.41Å; I96-S100 PolarHBondContact O-N 3.42Å; I96-S100 PolarHBondContact O-OG 2.85Å; S100-F116 WeakPolarHBondContact OG-CE1 3.38Å; S100-S172 PolarHBondContact O-OG 3.45Å; S100-V174 WeakPolarHBondContact OG-CG2 3.33Å
101	F	93.9	Very high	87.3	Confident	6 Å²	6	40.6 Å²	40.6	3%	0.026	24%	0.24	C	C	.	.	S	Bend	trans	-124.9	146.1	179.5	-86.7	-113.9	0	0	0	110.5	V68 F70 Q76 D103 F156 Q170	V68-F101 HydrophobicContact CB-CE2 3.99Å; V68-F101 HydrophobicContact CG1-CD2 4.08Å; V68-F101 HydrophobicContact CG1-CE2 3.59Å; F70-F101 HydrophobicContact CB-CE1 3.98Å; F70-F101 HydrophobicContact CB-CZ 4.22Å; F70-F101 HydrophobicContact CD2-CE1 4.24Å; Q76-F101 HydrophobicContact CB-CD2 4.39Å; Q76-F101 HydrophobicContact CG-CB 4.04Å; Q76-F101 HydrophobicContact CG-CD1 3.92Å; Q76-F101 HydrophobicContact CG-CD2 3.77Å; Q76-F101 HydrophobicContact CG-CE1 4.31Å; Q76-F101 HydrophobicContact CG-CE2 4.21Å; Q76-F101 HydrophobicContact CG-CG 3.63Å; Q76-F101 HydrophobicContact CG-CZ 4.46Å; F101-D103 PolarHBondContact O-N 3.48Å; F101-F156 HydrophobicContact CD1-CD2 4.49Å; F101-F156 AromaticContact CD1-CE2 3.77Å; F101-F156 HydrophobicContact CD1-CE2 3.77Å; F101-F156 HydrophobicContact CD1-CZ 4.48Å; F101-F156 AromaticContact CE1-CE2 3.82Å; F101-F156 HydrophobicContact CE1-CE2 3.82Å; F101-F156 HydrophobicContact CG-CE2 4.32Å; F101-F156 HydrophobicContact CZ-CE2 4.36Å; F101-Q170 HydrophobicContact CE1-CB 3.92Å
102	P	91.8	Very high	87.4	Confident	12 Å²	12	36.3 Å²	36.3	8%	0.078	22%	0.223	C	C	.	.			trans	-66.3	121.8	173.2	-20.8	33.1	0	0	0	113	S104 C108 F156 P302	P102-S104 WeakPolarHBondContact CB-O 3.3Å; P102-S104 PolarHBondContact O-N 3.45Å; P102-S104 VanDerWaalsContact O-N 3.1Å; P102-C108 HydrophobicContact CB-CB 4.33Å; P102-C108 HydrophobicContact CG-CB 3.99Å; P102-F156 HydrophobicContact CG-CD1 3.74Å; P102-F156 HydrophobicContact CG-CE1 3.57Å; P102-F156 HydrophobicContact CG-CG 4.44Å; P102-F156 HydrophobicContact CG-CZ 4.13Å; P102-P302 HydrophobicContact CB-CG 3.98Å; P102-P302 HydrophobicContact CG-CG 4.17Å
103	D	86.8	Confident	87.6	Confident	28 Å²	28	37.6 Å²	37.6	15%	0.15	23%	0.228	C	C	.	.	S	Bend	trans	-62.6	-8.6	170.6	-165.9	-1.8	0	0	0	112.8	F101 Y328 T330 I331 N355	F101-D103 PolarHBondContact O-N 3.48Å; D103-Y328 VanDerWaalsContact CB-OH 3.28Å; D103-Y328 WeakPolarHBondContact CB-OH 3.27Å; D103-Y328 PolarHBondContact N-OH 2.89Å; D103-T330 HydrophobicContact CB-CG2 3.79Å; D103-T330 WeakPolarHBondContact OD2-CA 3.47Å; D103-T330 WeakPolarHBondContact OD2-CB 3.29Å; D103-I331 PolarHBondContact OD2-N 2.79Å; D103-N355 HydrophobicContact CB-CB 4.17Å; D103-N355 VanDerWaalsContact CG-CB 3.49Å; D103-N355 PolarHBondContact O-ND2 2.62Å; D103-N355 PolarHBondContact OD1-ND2 3.04Å; D103-N355 WeakPolarHBondContact OD2-CB 3.47Å
104	S	78.3	Confident	87.7	Confident	28 Å²	28	34.3 Å²	34.3	20%	0.196	21%	0.214	C	C	.	.	S	Bend	trans	-142.1	128.1	165.6	-178.4	0	0	0	0	109.9	P102 S106	P102-S104 WeakPolarHBondContact CB-O 3.3Å; P102-S104 PolarHBondContact O-N 3.45Å; P102-S104 VanDerWaalsContact O-N 3.1Å; S104-S106 PolarHBondContact O-N 2.96Å; S104-S106 WeakPolarHBondContact OG-CB 3.29Å; S104-S106 PolarHBondContact OG-N 3.4Å; S104-S106 PolarHBondContact OG-OG 2.95Å
105	N	67.5	Low	87.9	Confident	93 Å²	93	31.1 Å²	31.1	50%	0.497	19%	0.194	S	C	.	.			trans	-72.3	-0.7	176	-63.6	-71.5	0	0	0	113.3	G107 Q170	N105-G107 PolarHBondContact O-N 3.25Å; N105-Q170 PolarHBondContact OD1-NE2 3.49Å; N105-Q170 VanDerWaalsContact OD1-NE2 3.15Å
106	S	64.8	Low	88	Confident	65 Å²	65	30.9 Å²	30.9	46%	0.455	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	118.8	176.6	52.9	0	0	0	0	111.2	S104 C108	S104-S106 PolarHBondContact O-N 2.96Å; S104-S106 WeakPolarHBondContact OG-CB 3.29Å; S104-S106 PolarHBondContact OG-N 3.4Å; S104-S106 PolarHBondContact OG-OG 2.95Å; S106-C108 PolarHBondContact O-N 2.85Å
107	G	65.5	Low	88.1	Confident	82 Å²	82	31.3 Å²	31.3	85%	0.845	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.2	-7	174.7	0	0	0	0	0	116.2	N105 L109	N105-G107 PolarHBondContact O-N 3.25Å; G107-L109 VanDerWaalsContact C-N 3.29Å; G107-L109 PolarHBondContact O-N 2.89Å; G107-L109 VanDerWaalsContact O-N 3.17Å
108	C	75.2	Confident	88	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.014	19%	0.191	C	C	.	.			trans	-89.6	38.8	-173.2	-59.4	0	0	0	0	113.8	P102 S106 F156 Q158	P102-C108 HydrophobicContact CB-CB 4.33Å; P102-C108 HydrophobicContact CG-CB 3.99Å; S106-C108 PolarHBondContact O-N 2.85Å; C108-F156 HydrophobicContact CB-CE1 4.34Å; C108-Q158 WeakPolarHBondContact O-CB 3.13Å; C108-Q158 PolarHBondContact O-OE1 3.22Å
109	L	84.1	Confident	87.9	Confident	103 Å²	103	30.7 Å²	30.7	54%	0.539	19%	0.191	S	C	.	.			trans	-90	134.6	174.5	-70.2	176.3	0	0	0	110.7	G107 Q158 Y168	G107-L109 VanDerWaalsContact C-N 3.29Å; G107-L109 PolarHBondContact O-N 2.89Å; G107-L109 VanDerWaalsContact O-N 3.17Å; L109-Q158 HydrophobicContact CD2-CG 4.23Å; L109-Y168 HydrophobicContact CD2-CD1 4.32Å; L109-Y168 HydrophobicContact CD2-CE1 3.72Å
110	G	90.9	Very high	87.6	Confident	26 Å²	26	32.6 Å²	32.6	27%	0.268	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	93.5	-146.1	-172	0	0	0	0	0	111.7	Q158	G110-Q158 PolarHBondContact N-O 3.34Å; G110-Q158 PolarHBondContact O-N 2.97Å
111	D	93.8	Very high	86.9	Confident	74 Å²	74	33.9 Å²	33.9	40%	0.396	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127.3	-175.9	-67.4	-37.2	0	0	0	111.1	Y155 F156 R157	D111-Y155 HydrophobicContact CB-CE1 3.7Å; D111-Y155 WeakPolarHBondContact CB-OH 3.23Å; D111-Y155 PolarHBondContact OD2-OH 3.17Å; D111-Y155 VanDerWaalsContact OD2-OH 3.09Å; D111-F156 WeakPolarHBondContact CA-O 3.12Å; D111-R157 WeakPolarHBondContact OD1-CA 3.49Å; D111-R157 WeakPolarHBondContact OD1-CB 3.16Å; D111-R157 VanDerWaalsContact OD1-CG 3.22Å; D111-R157 WeakPolarHBondContact OD1-CG 3.14Å; D111-R157 IonicContact OD1-CZ 3.36Å; D111-R157 IonicContact OD1-NE 2.91Å; D111-R157 PolarHBondContact OD1-NE 3.13Å; D111-R157 IonicContact OD1-NH2 2.83Å; D111-R157 IonicContact OD2-CZ 3.98Å; D111-R157 IonicContact OD2-NE 2.59Å; D111-R157 PolarHBondContact OD2-NE 2.82Å; D111-R157 IonicContact OD2-NH2 2.94Å; D111-R157 PolarHBondContact OD2-NH2 3.29Å
112	T	93.9	Very high	85.6	Confident	16 Å²	16	39.6 Å²	39.6	10%	0.098	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.1	-174.6	-53.4	0	0	0	0	110.3	F114 F156 S303	T112-F114 HydrophobicContact CG2-CD1 4.1Å; T112-F114 HydrophobicContact CG2-CE1 4.48Å; T112-F156 PolarHBondContact N-O 2.94Å; T112-F156 PolarHBondContact O-N 2.83Å; T112-S303 WeakPolarHBondContact CG2-OG 3.26Å
113	Q	95.4	Very high	84	Confident	27 Å²	27	43 Å²	43	13%	0.126	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.6	175	-69.7	-169.1	-69.4	0	0	112.3	V154 Y155 H186 K190 S303	Q113-V154 VanDerWaalsContact CA-O 3.3Å; Q113-V154 WeakPolarHBondContact CA-O 3.48Å; Q113-Y155 HydrophobicContact CG-CD2 3.64Å; Q113-Y155 HydrophobicContact CG-CE2 4.22Å; Q113-Y155 HydrophobicContact CG-CG 4.13Å; Q113-H186 PolarHBondContact NE2-O 3.01Å; Q113-K190 VanDerWaalsContact OE1-CG 3.29Å; Q113-S303 VanDerWaalsContact O-CB 3.29Å; Q113-S303 WeakPolarHBondContact O-CB 3.32Å; Q113-S303 PolarHBondContact O-OG 2.95Å
114	F	96.3	Very high	82.7	Confident	0 Å²	0	45 Å²	45	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	170.4	-178.9	59.4	-79.3	0	0	0	110.4	L99 T112 V154 F156 P302 S306 Y328	L99-F114 VanDerWaalsContact O-CE2 3.32Å; L99-F114 WeakPolarHBondContact O-CE2 3.47Å; T112-F114 HydrophobicContact CG2-CD1 4.1Å; T112-F114 HydrophobicContact CG2-CE1 4.48Å; F114-V154 HydrophobicContact CD1-CB 4.06Å; F114-V154 HydrophobicContact CD1-CG1 4.21Å; F114-V154 HydrophobicContact CD2-CB 4.3Å; F114-V154 HydrophobicContact CD2-CG2 4.25Å; F114-V154 HydrophobicContact CE1-CB 3.91Å; F114-V154 HydrophobicContact CE1-CG1 3.6Å; F114-V154 HydrophobicContact CE2-CB 4.16Å; F114-V154 HydrophobicContact CE2-CG1 4.33Å; F114-V154 HydrophobicContact CE2-CG2 3.98Å; F114-V154 HydrophobicContact CG-CB 4.26Å; F114-V154 HydrophobicContact CZ-CB 3.97Å; F114-V154 HydrophobicContact CZ-CG1 3.67Å; F114-V154 HydrophobicContact CZ-CG2 4.16Å; F114-V154 PolarHBondContact N-O 3.31Å; F114-V154 WeakPolarHBondContact O-CB 3.1Å; F114-V154 PolarHBondContact O-N 3.33Å; F114-F156 HydrophobicContact CE1-CB 4Å; F114-P302 HydrophobicContact CB-CB 3.89Å; F114-P302 WeakPolarHBondContact CB-O 3.25Å; F114-P302 HydrophobicContact CD1-CB 3.8Å; F114-P302 HydrophobicContact CD2-CB 3.56Å; F114-P302 HydrophobicContact CE1-CB 4.13Å; F114-P302 HydrophobicContact CE2-CB 3.89Å; F114-P302 HydrophobicContact CG-CB 3.5Å; F114-P302 HydrophobicContact CZ-CB 4.17Å; F114-S306 WeakPolarHBondContact CB-OG 3.48Å; F114-Y328 AromaticContact CD2-CD1 3.94Å; F114-Y328 HydrophobicContact CD2-CD1 3.94Å; F114-Y328 HydrophobicContact CD2-CG 4.26Å; F114-Y328 AromaticContact CE2-CD1 3.62Å; F114-Y328 HydrophobicContact CE2-CD1 3.62Å; F114-Y328 AromaticContact CE2-CE1 3.94Å; F114-Y328 HydrophobicContact CE2-CE1 3.94Å; F114-Y328 HydrophobicContact CE2-CG 4.39Å
115	C	97.1	Very high	81.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	153	174.2	70.8	0	0	0	0	113	G152 Y153 S306 L310	C115-G152 CarbonylContact C-O 3.5Å; C115-G152 WeakPolarHBondContact CA-O 3.47Å; C115-G152 WeakPolarHBondContact CB-O 3.35Å; C115-Y153 HydrophobicContact CB-CD1 3.72Å; C115-Y153 HydrophobicContact CB-CE1 3.97Å; C115-S306 PolarHBondContact N-OG 2.98Å; C115-S306 VanDerWaalsContact O-CB 3.24Å; C115-S306 WeakPolarHBondContact O-CB 3.3Å; C115-L310 VanDerWaalsContact SG-CD1 3.59Å
116	F	97.4	Very high	80.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	161.8	170.4	60.4	-95.3	0	0	0	111	I96 L99 S100 F118 Y151 G152 V154 V174	I96-F116 HydrophobicContact CB-CZ 4.47Å; I96-F116 HydrophobicContact CG1-CE2 4.31Å; I96-F116 HydrophobicContact CG1-CZ 4.19Å; L99-F116 HydrophobicContact CB-CB 4.09Å; L99-F116 HydrophobicContact CB-CD1 3.66Å; L99-F116 HydrophobicContact CB-CD2 3.66Å; L99-F116 HydrophobicContact CB-CE1 3.86Å; L99-F116 HydrophobicContact CB-CE2 3.87Å; L99-F116 HydrophobicContact CB-CG 3.56Å; L99-F116 HydrophobicContact CB-CZ 3.97Å; L99-F116 HydrophobicContact CD1-CB 4.29Å; L99-F116 HydrophobicContact CD1-CD2 3.51Å; L99-F116 HydrophobicContact CD1-CE2 3.99Å; L99-F116 HydrophobicContact CD1-CG 4.05Å; L99-F116 HydrophobicContact CG-CD2 4.23Å; L99-F116 HydrophobicContact CG-CG 4.38Å; L99-F116 WeakPolarHBondContact O-CD1 3.3Å; S100-F116 WeakPolarHBondContact OG-CE1 3.38Å; F116-F118 AromaticContact CD2-CD1 3.61Å; F116-F118 HydrophobicContact CD2-CD1 3.61Å; F116-F118 HydrophobicContact CD2-CE1 4.14Å; F116-F118 HydrophobicContact CD2-CG 4.47Å; F116-F118 AromaticContact CE2-CD1 3.46Å; F116-F118 HydrophobicContact CE2-CD1 3.46Å; F116-F118 VanDerWaalsContact CE2-CD1 3.46Å; F116-F118 AromaticContact CE2-CE1 3.56Å; F116-F118 HydrophobicContact CE2-CE1 3.56Å; F116-F118 HydrophobicContact CE2-CG 4.37Å; F116-Y151 WeakPolarHBondContact O-CA 3.32Å; F116-G152 PolarHBondContact N-O 3.36Å; F116-G152 PolarHBondContact O-N 3.38Å; F116-V154 HydrophobicContact CD1-CG2 3.67Å; F116-V154 HydrophobicContact CE1-CG2 3.46Å; F116-V154 VanDerWaalsContact CE1-CG2 3.46Å; F116-V174 HydrophobicContact CE1-CG1 4.2Å; F116-V174 HydrophobicContact CZ-CG1 4.2Å
117	R	96.2	Very high	79.3	Confident	8 Å²	8	56.5 Å²	56.5	3%	0.03	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.4	178.2	176.7	172.4	165.3	-88.4	1.6	108.7	D146 Y149 F150 Y151 D324 F325 R326 P327	R117-D146 IonicContact CZ-OD2 2.76Å; R117-D146 IonicContact NH2-OD2 1.95Å; R117-D146 PolarHBondContact NH2-OD2 3.33Å; R117-Y149 HydrophobicContact CG-CD1 3.79Å; R117-Y149 HydrophobicContact CG-CG 4.21Å; R117-F150 WeakPolarHBondContact CA-O 3.48Å; R117-Y151 HydrophobicContact CB-CD1 4.25Å; R117-Y151 HydrophobicContact CB-CE1 4.3Å; R117-Y151 HydrophobicContact CG-CD1 4.48Å; R117-Y151 HydrophobicContact CG-CE1 4.26Å; R117-D324 IonicContact CZ-OD1 2.75Å; R117-D324 IonicContact NH1-OD1 3.69Å; R117-D324 PolarHBondContact NH1-OD1 3.36Å; R117-D324 IonicContact NH2-OD1 3.97Å; R117-F325 PolarHBondContact NH1-O 3.08Å; R117-R326 VanDerWaalsContact O-CD 3.24Å; R117-R326 WeakPolarHBondContact O-CD 3.44Å; R117-P327 HydrophobicContact CB-CG 4.45Å
118	F	94.3	Very high	78.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148.4	-171.5	65.5	-76.8	0	0	0	111.6	E92 I96 L99 F116 Y149 F150 I176	E92-F118 HydrophobicContact CB-CE2 4.2Å; E92-F118 HydrophobicContact CG-CE2 4.12Å; I96-F118 HydrophobicContact CD1-CZ 4Å; I96-F118 HydrophobicContact CG1-CE1 4.37Å; I96-F118 HydrophobicContact CG1-CE2 4.43Å; I96-F118 HydrophobicContact CG1-CZ 3.93Å; L99-F118 HydrophobicContact CD1-CB 4.27Å; F116-F118 AromaticContact CD2-CD1 3.61Å; F116-F118 HydrophobicContact CD2-CD1 3.61Å; F116-F118 HydrophobicContact CD2-CE1 4.14Å; F116-F118 HydrophobicContact CD2-CG 4.47Å; F116-F118 AromaticContact CE2-CD1 3.46Å; F116-F118 HydrophobicContact CE2-CD1 3.46Å; F116-F118 VanDerWaalsContact CE2-CD1 3.46Å; F116-F118 AromaticContact CE2-CE1 3.56Å; F116-F118 HydrophobicContact CE2-CE1 3.56Å; F116-F118 HydrophobicContact CE2-CG 4.37Å; F118-Y149 VanDerWaalsContact O-CA 3.27Å; F118-Y149 WeakPolarHBondContact O-CA 3.49Å; F118-F150 HydrophobicContact CD1-CB 4.03Å; F118-F150 WeakPolarHBondContact CD1-O 3.49Å; F118-F150 HydrophobicContact CE1-CB 3.46Å; F118-F150 VanDerWaalsContact CE1-CB 3.46Å; F118-F150 HydrophobicContact CE2-CB 4.08Å; F118-F150 AromaticContact CE2-CD2 3.98Å; F118-F150 HydrophobicContact CE2-CD2 3.98Å; F118-F150 HydrophobicContact CZ-CB 3.5Å; F118-F150 VanDerWaalsContact CZ-CB 3.5Å; F118-F150 AromaticContact CZ-CD2 3.95Å; F118-F150 HydrophobicContact CZ-CD2 3.95Å; F118-F150 HydrophobicContact CZ-CG 4.12Å; F118-F150 PolarHBondContact N-O 3.22Å; F118-F150 PolarHBondContact O-N 3.02Å; F118-I176 HydrophobicContact CE1-CD1 4.34Å; F118-I176 HydrophobicContact CZ-CD1 4.41Å; F118-I176 HydrophobicContact CZ-CG2 4.24Å
119	R	91.3	Very high	76.9	Confident	74 Å²	74	59.9 Å²	59.9	28%	0.279	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132.6	-179.4	-68.2	-174.5	-170.9	147	-1.2	110.9	A148 Y149 D324 E335 E338 Y339	R119-A148 CarbonylContact C-O 3.53Å; R119-A148 WeakPolarHBondContact CA-O 3.21Å; R119-Y149 HydrophobicContact CB-CE1 4.39Å; R119-Y149 HydrophobicContact CG-CD1 3.87Å; R119-Y149 HydrophobicContact CG-CE1 3.3Å; R119-Y149 HydrophobicContact CG-CE2 4.3Å; R119-Y149 PolarHBondContact NE-OH 3.15Å; R119-D324 IonicContact CZ-OD2 3.72Å; R119-D324 IonicContact NH2-OD2 2.79Å; R119-D324 PolarHBondContact NH2-OD2 3.4Å; R119-E335 WeakPolarHBondContact CD-OE1 3.45Å; R119-E335 IonicContact CZ-OE1 2.77Å; R119-E335 IonicContact NE-OE1 3.17Å; R119-E335 PolarHBondContact NE-OE1 3.07Å; R119-E335 VanDerWaalsContact NE-OE1 3.08Å; R119-E335 IonicContact NH1-OE1 3.47Å; R119-E335 PolarHBondContact NH1-OE1 2.93Å; R119-E335 IonicContact NH2-OE1 3.49Å; R119-E338 IonicContact CZ-OE1 3.73Å; R119-E338 IonicContact CZ-OE2 3.62Å; R119-E338 VanDerWaalsContact NH1-CD 3.34Å; R119-E338 IonicContact NH1-OE1 3.77Å; R119-E338 PolarHBondContact NH1-OE1 2.89Å; R119-E338 IonicContact NH1-OE2 3.8Å; R119-E338 PolarHBondContact NH1-OE2 3.27Å; R119-E338 IonicContact NH2-OE1 2.71Å; R119-E338 PolarHBondContact NH2-OE1 3.48Å; R119-Y339 PolarHBondContact NH2-OH 3.06Å
120	Q	88.1	Confident	75.1	Confident	41 Å²	41	59.4 Å²	59.4	19%	0.192	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-68	145.7	171.7	-166	-164.8	-92	0	0	109.7	A148 F150	Q120-A148 PolarHBondContact N-O 3.13Å; Q120-F150 HydrophobicContact CB-CD2 4.36Å; Q120-F150 HydrophobicContact CB-CE2 4.37Å; Q120-F150 HydrophobicContact CG-CD2 4.17Å; Q120-F150 HydrophobicContact CG-CE2 3.69Å; Q120-F150 HydrophobicContact CG-CZ 4.33Å
121	S	82.1	Confident	72.8	Confident	26 Å²	26	63.6 Å²	63.6	18%	0.182	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-67.2	136	175.1	-49.6	0	0	0	0	111.8	T89 E92	T89-S121 VanDerWaalsContact CG2-OG 3.32Å; T89-S121 WeakPolarHBondContact CG2-OG 3.27Å; T89-S121 PolarHBondContact OG1-OG 3.22Å; E92-S121 VanDerWaalsContact CD-OG 3.3Å; E92-S121 WeakPolarHBondContact OE1-CB 3.48Å; E92-S121 PolarHBondContact OE1-N 3.37Å; E92-S121 PolarHBondContact OE1-OG 3.02Å
122	S	67.1	Low	70.8	Confident	126 Å²	126	61.8 Å²	61.8	88%	0.881	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	147.6	173.3	-54.6	0	0	0	0	112.1
123	G	58.5	Low	69.1	Low	83 Å²	83	64.5 Å²	64.5	86%	0.856	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.2	-2.9	171.1	0	0	0	0	0	116.4	R125	G123-R125 PolarHBondContact O-N 2.85Å
124	R	58.3	Low	67.5	Low	71 Å²	71	67.5 Å²	67.5	27%	0.268	37%	0.374	S	S	.	.			trans	-68.3	129.6	168.2	-68.8	-167.7	175	169.8	7.9	110.7	H63 K87 E92	H63-R124 PolarHBondContact CE1-NH1 3.2Å; K87-R124 PolarHBondContact O-NH1 2.89Å; K87-R124 PolarHBondContact O-NH2 3.24Å; K87-R124 VanDerWaalsContact O-NH2 3.1Å; E92-R124 IonicContact OE1-CZ 3.94Å; E92-R124 IonicContact OE1-NH2 3.26Å; E92-R124 IonicContact OE2-CZ 3.05Å; E92-R124 IonicContact OE2-NH1 3.86Å; E92-R124 IonicContact OE2-NH2 2.69Å; E92-R124 PolarHBondContact OE2-NH2 2.97Å
125	R	47.2	Very low	66	Low	229 Å²	229	69.9 Å²	69.9	86%	0.864	39%	0.385	S	S	*	.			trans	-62.5	145.6	164.1	-74.1	-175	173.4	-176.3	-2.4	109.2	G123 S127	G123-R125 PolarHBondContact O-N 2.85Å; R125-S127 PolarHBondContact O-N 2.75Å
126	V	48.4	Very low	64.9	Low	112 Å²	112	71.5 Å²	71.5	68%	0.679	39%	0.393	S	S	*	.			trans	-82.8	48.2	177.8	-172.3	0	0	0	0	109.9	H129	V126-H129 HydrophobicContact CG1-CB 3.47Å; V126-H129 VanDerWaalsContact CG1-CB 3.47Å
127	S	43.6	Very low	63.9	Low	86 Å²	86	76.7 Å²	76.7	60%	0.601	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	143.3	177.8	44.2	0	0	0	0	111.1	R125 H129	R125-S127 PolarHBondContact O-N 2.75Å; S127-H129 PolarHBondContact O-N 3.22Å
128	L	44.1	Very low	63.3	Low	125 Å²	125	79.6 Å²	79.6	65%	0.654	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	-8.6	-173.3	-62.4	166	0	0	0	117.1	C130	L128-C130 VanDerWaalsContact C-N 3.34Å; L128-C130 PolarHBondContact O-N 3.04Å
129	H	47.9	Very low	62.9	Low	30 Å²	30	79.8 Å²	79.8	14%	0.139	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-19.3	-172.6	-119.3	-91.1	0	0	0	115.8	V126 S127 L131 L132 D133 K145	V126-H129 HydrophobicContact CG1-CB 3.47Å; V126-H129 VanDerWaalsContact CG1-CB 3.47Å; S127-H129 PolarHBondContact O-N 3.22Å; H129-L131 VanDerWaalsContact C-N 3.35Å; H129-L131 PolarHBondContact O-N 3.31Å; H129-L132 PolarHBondContact O-N 3.25Å; H129-L132 VanDerWaalsContact O-N 3.11Å; H129-D133 IonicContact CE1-OD1 3.57Å; H129-D133 PolarHBondContact CE1-OD1 3.48Å; H129-D133 IonicContact CE1-OD2 2.73Å; H129-D133 PolarHBondContact CE1-OD2 3.03Å; H129-D133 IonicContact CG-OD1 2.8Å; H129-D133 IonicContact ND1-OD1 2.68Å; H129-D133 PolarHBondContact ND1-OD1 2.8Å; H129-D133 IonicContact ND1-OD2 3.54Å; H129-D133 IonicContact NE2-OD1 3.36Å; H129-D133 PolarHBondContact O-N 3.17Å; H129-K145 VanDerWaalsContact CE1-CE 3.48Å; H129-K145 WeakPolarHBondContact CE1-CE 3.17Å; H129-K145 PolarHBondContact CE1-NZ 2.85Å; H129-K145 VanDerWaalsContact NE2-CD 3.29Å; H129-K145 WeakPolarHBondContact NE2-CD 3.43Å; H129-K145 WeakPolarHBondContact NE2-CE 3.43Å
130	C	44.8	Very low	62.8	Low	94 Å²	94	76.6 Å²	76.6	64%	0.635	42%	0.421	S	S	*	.	H	α-helix	trans	-57.3	-39	-169.2	-174.3	0	0	0	0	114.3	L128 D133	L128-C130 VanDerWaalsContact C-N 3.34Å; L128-C130 PolarHBondContact O-N 3.04Å; C130-D133 PolarHBondContact O-N 3.26Å
131	L	44	Very low	62.6	Low	114 Å²	114	77.7 Å²	77.7	60%	0.597	43%	0.431	S	S	*	.	H	α-helix	trans	-69	-39.2	178.7	-67	174.9	0	0	0	112.4	H129 F135	H129-L131 VanDerWaalsContact C-N 3.35Å; H129-L131 PolarHBondContact O-N 3.31Å; L131-F135 WeakPolarHBondContact O-CD2 3.45Å; L131-F135 WeakPolarHBondContact O-CE2 3.49Å
132	L	52	Low	62.6	Low	36 Å²	36	80 Å²	80	19%	0.188	44%	0.436	C	S	.	.	H	α-helix	trans	-75.1	-26.6	178.3	-70.1	173.4	0	0	0	112.7	A60 H129 Q134 F135 K145 P217	A60-L132 HydrophobicContact CB-CD2 4.3Å; H129-L132 PolarHBondContact O-N 3.25Å; H129-L132 VanDerWaalsContact O-N 3.11Å; L132-Q134 PolarHBondContact O-N 2.86Å; L132-F135 HydrophobicContact CD2-CD2 4.48Å; L132-F135 PolarHBondContact O-N 3.46Å; L132-K145 VanDerWaalsContact C-NZ 3.28Å; L132-K145 PolarHBondContact O-NZ 3.24Å; L132-P217 HydrophobicContact CD2-CG 4.02Å
133	D	58.4	Low	63.7	Low	72 Å²	72	74 Å²	74	39%	0.385	40%	0.395	S	S	.	.	H	α-helix	trans	-70.8	-19.9	179.3	-66.4	-12	0	0	0	112.7	H129 C130 K145	H129-D133 IonicContact CE1-OD1 3.57Å; H129-D133 PolarHBondContact CE1-OD1 3.48Å; H129-D133 IonicContact CE1-OD2 2.73Å; H129-D133 PolarHBondContact CE1-OD2 3.03Å; H129-D133 IonicContact CG-OD1 2.8Å; H129-D133 IonicContact ND1-OD1 2.68Å; H129-D133 PolarHBondContact ND1-OD1 2.8Å; H129-D133 IonicContact ND1-OD2 3.54Å; H129-D133 IonicContact NE2-OD1 3.36Å; H129-D133 PolarHBondContact O-N 3.17Å; C130-D133 PolarHBondContact O-N 3.26Å; D133-K145 WeakPolarHBondContact OD1-CE 3.44Å; D133-K145 IonicContact OD1-NZ 3.86Å; D133-K145 PolarHBondContact OD1-NZ 3.42Å
134	Q	60.6	Low	65	Low	90 Å²	90	73.1 Å²	73.1	42%	0.421	37%	0.367	S	S	.	.	H	α-helix	trans	-67.1	-42.7	172	-65.3	177.8	0.6	0	0	112	L132 D136 K137	L132-Q134 PolarHBondContact O-N 2.86Å; Q134-D136 VanDerWaalsContact C-N 3.3Å; Q134-D136 PolarHBondContact O-N 3.19Å; Q134-K137 PolarHBondContact O-N 3.43Å
135	F	65.9	Low	66.4	Low	51 Å²	51	70.6 Å²	70.6	22%	0.224	36%	0.358	C	S	.	.	H	α-helix	trans	-73.8	-18.6	-176.8	-54.7	-51.1	0	0	0	113.9	L131 L132 K137 D138 L139 A216 V218 P219	L131-F135 WeakPolarHBondContact O-CD2 3.45Å; L131-F135 WeakPolarHBondContact O-CE2 3.49Å; L132-F135 HydrophobicContact CD2-CD2 4.48Å; L132-F135 PolarHBondContact O-N 3.46Å; F135-K137 PolarHBondContact O-N 3.17Å; F135-D138 PolarHBondContact O-N 3.42Å; F135-L139 PolarHBondContact O-N 2.93Å; F135-A216 HydrophobicContact CE2-CB 4.29Å; F135-V218 HydrophobicContact CD1-CG1 4.16Å; F135-V218 HydrophobicContact CD1-CG2 4.28Å; F135-V218 HydrophobicContact CE1-CB 4.46Å; F135-V218 HydrophobicContact CE1-CG1 4.1Å; F135-V218 HydrophobicContact CE1-CG2 3.79Å; F135-V218 HydrophobicContact CE2-CG2 4.27Å; F135-V218 HydrophobicContact CZ-CG2 3.79Å; F135-P219 HydrophobicContact CB-CG 4.44Å
136	D	73.5	Confident	68.2	Low	34 Å²	34	61.7 Å²	61.7	18%	0.182	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19	175.4	-92.7	50.6	0	0	0	113.5	Q134 K144 K145	Q134-D136 VanDerWaalsContact C-N 3.3Å; Q134-D136 PolarHBondContact O-N 3.19Å; D136-K144 WeakPolarHBondContact O-CD 3.38Å; D136-K144 WeakPolarHBondContact O-CE 3.48Å; D136-K144 PolarHBondContact O-NZ 3.12Å; D136-K145 VanDerWaalsContact CG-CE 3.41Å; D136-K145 VanDerWaalsContact CG-NZ 3.32Å; D136-K145 VanDerWaalsContact OD1-CD 3.3Å; D136-K145 WeakPolarHBondContact OD1-CD 3.21Å; D136-K145 WeakPolarHBondContact OD1-CE 3.08Å; D136-K145 IonicContact OD1-NZ 3.61Å; D136-K145 PolarHBondContact OD1-NZ 2.86Å; D136-K145 VanDerWaalsContact OD2-CE 3.23Å; D136-K145 WeakPolarHBondContact OD2-CE 3.45Å; D136-K145 WeakPolarHBondContact OD2-CG 3.41Å; D136-K145 IonicContact OD2-NZ 2.63Å
137	K	75	Confident	69.9	Low	109 Å²	109	60.7 Å²	60.7	47%	0.474	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-51.1	176.2	-170.8	169.9	179	170	0	111	Q134 F135 K144 H572	Q134-K137 PolarHBondContact O-N 3.43Å; F135-K137 PolarHBondContact O-N 3.17Å; K137-K144 PolarHBondContact O-NZ 3.34Å; K137-H572 PolarHBondContact NZ-O 2.91Å
138	D	83.5	Confident	72	Confident	68 Å²	68	58.9 Å²	58.9	36%	0.364	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-6.2	-168.8	-56	-18.5	0	0	0	113.5	F135 P219 T238 C239	F135-D138 PolarHBondContact O-N 3.42Å; D138-P219 HydrophobicContact CB-CB 4.35Å; D138-P219 HydrophobicContact CB-CG 4.43Å; D138-T238 CarbonylContact O-C 3.59Å; D138-T238 VanDerWaalsContact O-CA 3.27Å; D138-T238 WeakPolarHBondContact O-CA 3.32Å; D138-C239 PolarHBondContact O-N 3.15Å; D138-C239 PolarHBondContact O-SG 3.41Å
139	L	87.9	Confident	74.3	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	29%	0.287	C	S	.	.	S	Bend	trans	-66.7	145.2	171.7	-81	175.7	0	0	0	112	F135 L143 K144 P219 I236	F135-L139 PolarHBondContact O-N 2.93Å; L139-L143 HydrophobicContact CB-CB 4.39Å; L139-L143 HydrophobicContact CD1-CB 4.48Å; L139-L143 HydrophobicContact CD2-CB 3.95Å; L139-L143 HydrophobicContact CD2-CD1 4.12Å; L139-K144 HydrophobicContact CB-CG 4.09Å; L139-K144 WeakPolarHBondContact O-CE 3.06Å; L139-P219 HydrophobicContact CD2-CB 4.43Å; L139-P219 HydrophobicContact CD2-CG 3.74Å; L139-P219 HydrophobicContact CG-CG 3.82Å; L139-I236 HydrophobicContact CD2-CG2 3.61Å
140	P	87.7	Confident	76.5	Confident	7 Å²	7	52.7 Å²	52.7	5%	0.045	28%	0.281	C	S	.	.			trans	-57	149.9	164.1	-17.9	26	0	0	0	111.8	Y142 L143 K144 P237	P140-Y142 HydrophobicContact CB-CD1 3.9Å; P140-Y142 HydrophobicContact CB-CD2 4.35Å; P140-Y142 HydrophobicContact CB-CE1 3.39Å; P140-Y142 HydrophobicContact CB-CE2 3.89Å; P140-Y142 HydrophobicContact CB-CG 4.34Å; P140-Y142 HydrophobicContact CG-CE1 4.27Å; P140-Y142 HydrophobicContact CG-CE2 4.22Å; P140-Y142 PolarHBondContact O-N 3.47Å; P140-Y142 VanDerWaalsContact O-N 3.08Å; P140-L143 HydrophobicContact CG-CD1 4.14Å; P140-L143 HydrophobicContact CG-CG 4.38Å; P140-L143 PolarHBondContact O-N 3.13Å; P140-K144 WeakPolarHBondContact O-CG 3.37Å; P140-K144 PolarHBondContact O-N 3.02Å; P140-P237 WeakPolarHBondContact CD-O 3.27Å; P140-P237 HydrophobicContact CG-CB 3.92Å
141	V	84.4	Confident	79	Confident	64 Å²	64	49 Å²	49	39%	0.388	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-34.1	-176.9	175.5	0	0	0	0	113.6	K320	V141-K320 HydrophobicContact CG1-CB 3.44Å; V141-K320 VanDerWaalsContact CG1-CB 3.44Å; V141-K320 HydrophobicContact CG1-CD 4.2Å; V141-K320 HydrophobicContact CG1-CG 3.76Å; V141-K320 WeakPolarHBondContact O-CE 3.5Å
142	Y	82.6	Confident	81.6	Confident	74 Å²	74	43.6 Å²	43.6	29%	0.29	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-10	178.3	57.3	-98	0	0	0	114.5	P140 H267 S317	P140-Y142 HydrophobicContact CB-CD1 3.9Å; P140-Y142 HydrophobicContact CB-CD2 4.35Å; P140-Y142 HydrophobicContact CB-CE1 3.39Å; P140-Y142 HydrophobicContact CB-CE2 3.89Å; P140-Y142 HydrophobicContact CB-CG 4.34Å; P140-Y142 HydrophobicContact CG-CE1 4.27Å; P140-Y142 HydrophobicContact CG-CE2 4.22Å; P140-Y142 PolarHBondContact O-N 3.47Å; P140-Y142 VanDerWaalsContact O-N 3.08Å; Y142-H267 AromaticContact CD2-NE2 3.94Å; Y142-H267 AromaticContact CE2-CD2 3.88Å; Y142-H267 AromaticContact CE2-CE1 3.5Å; Y142-H267 AromaticContact CE2-NE2 3.38Å; Y142-H267 WeakPolarHBondContact CE2-NE2 3.36Å; Y142-S317 WeakPolarHBondContact CD1-OG 3.43Å
143	L	88.9	Confident	83.8	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-14.5	173.6	-62.6	-172.2	0	0	0	113.9	L139 P140 K145 P180 Y181 P237 V266 H267	L139-L143 HydrophobicContact CB-CB 4.39Å; L139-L143 HydrophobicContact CD1-CB 4.48Å; L139-L143 HydrophobicContact CD2-CB 3.95Å; L139-L143 HydrophobicContact CD2-CD1 4.12Å; P140-L143 HydrophobicContact CG-CD1 4.14Å; P140-L143 HydrophobicContact CG-CG 4.38Å; P140-L143 PolarHBondContact O-N 3.13Å; L143-K145 PolarHBondContact O-N 2.97Å; L143-P180 HydrophobicContact CD2-CG 4.33Å; L143-P180 WeakPolarHBondContact O-CD 3.01Å; L143-P180 WeakPolarHBondContact O-CG 3.28Å; L143-Y181 HydrophobicContact CB-CE1 4.42Å; L143-Y181 HydrophobicContact CD1-CE1 4.22Å; L143-Y181 HydrophobicContact CD2-CD1 4.28Å; L143-Y181 HydrophobicContact CD2-CE1 4.26Å; L143-P237 HydrophobicContact CD1-CB 4.46Å; L143-P237 HydrophobicContact CD1-CG 4.27Å; L143-V266 HydrophobicContact CD1-CG2 4.01Å; L143-V266 HydrophobicContact CD2-CG2 4.44Å; L143-H267 HydrophobicContact CD2-CB 3.62Å
144	K	87.1	Confident	85.7	Confident	64 Å²	64	38.5 Å²	38.5	28%	0.278	20%	0.198	S	C	.	.	S	Bend	trans	-62.1	121.5	179.5	-57	-160.8	-179.2	-145.4	0	110.7	D136 K137 L139 P140 K320	D136-K144 WeakPolarHBondContact O-CD 3.38Å; D136-K144 WeakPolarHBondContact O-CE 3.48Å; D136-K144 PolarHBondContact O-NZ 3.12Å; K137-K144 PolarHBondContact O-NZ 3.34Å; L139-K144 HydrophobicContact CB-CG 4.09Å; L139-K144 WeakPolarHBondContact O-CE 3.06Å; P140-K144 WeakPolarHBondContact O-CG 3.37Å; P140-K144 PolarHBondContact O-N 3.02Å; K144-K320 PolarHBondContact O-NZ 2.88Å
145	K	86.2	Confident	87.5	Confident	17 Å²	17	35.1 Å²	35.1	7%	0.074	18%	0.182	C	C	.	.			trans	-57.7	158.9	-174.8	72.1	-149	172.9	-155.7	0	111.9	H129 L132 D133 D136 L143 K178	H129-K145 VanDerWaalsContact CE1-CE 3.48Å; H129-K145 WeakPolarHBondContact CE1-CE 3.17Å; H129-K145 PolarHBondContact CE1-NZ 2.85Å; H129-K145 VanDerWaalsContact NE2-CD 3.29Å; H129-K145 WeakPolarHBondContact NE2-CD 3.43Å; H129-K145 WeakPolarHBondContact NE2-CE 3.43Å; L132-K145 VanDerWaalsContact C-NZ 3.28Å; L132-K145 PolarHBondContact O-NZ 3.24Å; D133-K145 WeakPolarHBondContact OD1-CE 3.44Å; D133-K145 IonicContact OD1-NZ 3.86Å; D133-K145 PolarHBondContact OD1-NZ 3.42Å; D136-K145 VanDerWaalsContact CG-CE 3.41Å; D136-K145 VanDerWaalsContact CG-NZ 3.32Å; D136-K145 VanDerWaalsContact OD1-CD 3.3Å; D136-K145 WeakPolarHBondContact OD1-CD 3.21Å; D136-K145 WeakPolarHBondContact OD1-CE 3.08Å; D136-K145 IonicContact OD1-NZ 3.61Å; D136-K145 PolarHBondContact OD1-NZ 2.86Å; D136-K145 VanDerWaalsContact OD2-CE 3.23Å; D136-K145 WeakPolarHBondContact OD2-CE 3.45Å; D136-K145 WeakPolarHBondContact OD2-CG 3.41Å; D136-K145 IonicContact OD2-NZ 2.63Å; L143-K145 PolarHBondContact O-N 2.97Å; K145-K178 WeakPolarHBondContact CB-O 3.42Å
146	D	86.5	Confident	88.9	Confident	43 Å²	43	32.7 Å²	32.7	23%	0.23	17%	0.171	C	C	.	.			trans	-110.9	109.3	174.2	-174.7	-17.5	0	0	0	108.1	R117 A148 Y149	R117-D146 IonicContact CZ-OD2 2.76Å; R117-D146 IonicContact NH2-OD2 1.95Å; R117-D146 PolarHBondContact NH2-OD2 3.33Å; D146-A148 PolarHBondContact O-N 3.19Å; D146-A148 VanDerWaalsContact O-N 3.12Å; D146-A148 PolarHBondContact OD1-N 3.47Å; D146-A148 VanDerWaalsContact OD1-N 3.14Å; D146-Y149 HydrophobicContact CB-CD2 4.46Å; D146-Y149 VanDerWaalsContact CG-CD2 3.45Å; D146-Y149 PolarHBondContact O-N 3.09Å; D146-Y149 WeakPolarHBondContact OD2-CD2 3.45Å
147	P	83.1	Confident	89.9	Confident	90 Å²	90	32.6 Å²	32.6	58%	0.584	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.8	-173.8	28.3	-35.5	0	0	0	113.3
148	A	88.7	Confident	90.8	Very high	49 Å²	49	27.9 Å²	27.9	41%	0.405	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-5.6	179.1	0	0	0	0	0	113.9	R119 Q120 D146	R119-A148 CarbonylContact C-O 3.53Å; R119-A148 WeakPolarHBondContact CA-O 3.21Å; Q120-A148 PolarHBondContact N-O 3.13Å; D146-A148 PolarHBondContact O-N 3.19Å; D146-A148 VanDerWaalsContact O-N 3.12Å; D146-A148 PolarHBondContact OD1-N 3.47Å; D146-A148 VanDerWaalsContact OD1-N 3.14Å
149	Y	92.1	Very high	91.2	Very high	24 Å²	24	27.5 Å²	27.5	9%	0.094	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	152.7	-173.8	-66.1	-105.4	0	0	0	113.1	R117 F118 R119 D146 D324	R117-Y149 HydrophobicContact CG-CD1 3.79Å; R117-Y149 HydrophobicContact CG-CG 4.21Å; F118-Y149 VanDerWaalsContact O-CA 3.27Å; F118-Y149 WeakPolarHBondContact O-CA 3.49Å; R119-Y149 HydrophobicContact CB-CE1 4.39Å; R119-Y149 HydrophobicContact CG-CD1 3.87Å; R119-Y149 HydrophobicContact CG-CE1 3.3Å; R119-Y149 HydrophobicContact CG-CE2 4.3Å; R119-Y149 PolarHBondContact NE-OH 3.15Å; D146-Y149 HydrophobicContact CB-CD2 4.46Å; D146-Y149 VanDerWaalsContact CG-CD2 3.45Å; D146-Y149 PolarHBondContact O-N 3.09Å; D146-Y149 WeakPolarHBondContact OD2-CD2 3.45Å; Y149-D324 PolarHBondContact OH-OD1 2.94Å; Y149-D324 PolarHBondContact OH-OD2 3.27Å
150	F	94.4	Very high	91.3	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	152	163.1	-75.6	-62	0	0	0	110.3	H63 R117 F118 Q120 I176 K178	H63-F150 HydrophobicContact CB-CE1 3.77Å; H63-F150 HydrophobicContact CB-CZ 4.22Å; H63-F150 AromaticContact CG-CE1 3.75Å; H63-F150 AromaticContact CG-CZ 3.67Å; H63-F150 AromaticContact ND1-CE1 3.9Å; H63-F150 AromaticContact ND1-CZ 3.58Å; R117-F150 WeakPolarHBondContact CA-O 3.48Å; F118-F150 HydrophobicContact CD1-CB 4.03Å; F118-F150 WeakPolarHBondContact CD1-O 3.49Å; F118-F150 HydrophobicContact CE1-CB 3.46Å; F118-F150 VanDerWaalsContact CE1-CB 3.46Å; F118-F150 HydrophobicContact CE2-CB 4.08Å; F118-F150 AromaticContact CE2-CD2 3.98Å; F118-F150 HydrophobicContact CE2-CD2 3.98Å; F118-F150 HydrophobicContact CZ-CB 3.5Å; F118-F150 VanDerWaalsContact CZ-CB 3.5Å; F118-F150 AromaticContact CZ-CD2 3.95Å; F118-F150 HydrophobicContact CZ-CD2 3.95Å; F118-F150 HydrophobicContact CZ-CG 4.12Å; F118-F150 PolarHBondContact N-O 3.22Å; F118-F150 PolarHBondContact O-N 3.02Å; Q120-F150 HydrophobicContact CB-CD2 4.36Å; Q120-F150 HydrophobicContact CB-CE2 4.37Å; Q120-F150 HydrophobicContact CG-CD2 4.17Å; Q120-F150 HydrophobicContact CG-CE2 3.69Å; Q120-F150 HydrophobicContact CG-CZ 4.33Å; F150-I176 HydrophobicContact CB-CG2 4.04Å; F150-I176 HydrophobicContact CD1-CG2 3.94Å; F150-I176 HydrophobicContact CD2-CG2 4.46Å; F150-I176 HydrophobicContact CE1-CG2 4.46Å; F150-I176 HydrophobicContact CG-CG2 3.94Å; F150-K178 HydrophobicContact CD1-CG 3.69Å; F150-K178 HydrophobicContact CE1-CD 4.2Å; F150-K178 VanDerWaalsContact CE1-CE 3.42Å; F150-K178 HydrophobicContact CE1-CG 3.69Å
151	Y	96.9	Very high	91.4	Very high	17 Å²	17	38.1 Å²	38.1	7%	0.067	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132	163.9	-65.2	-93.7	0	0	0	109	F116 R117 Y153 I176 S177 P180 F325	F116-Y151 WeakPolarHBondContact O-CA 3.32Å; R117-Y151 HydrophobicContact CB-CD1 4.25Å; R117-Y151 HydrophobicContact CB-CE1 4.3Å; R117-Y151 HydrophobicContact CG-CD1 4.48Å; R117-Y151 HydrophobicContact CG-CE1 4.26Å; Y151-Y153 WeakPolarHBondContact CB-OH 3.11Å; Y151-I176 WeakPolarHBondContact O-CA 3.43Å; Y151-S177 PolarHBondContact N-O 3.05Å; Y151-S177 PolarHBondContact O-N 3.21Å; Y151-P180 HydrophobicContact CE1-CB 4.39Å; Y151-P180 HydrophobicContact CE2-CB 3.93Å; Y151-F325 HydrophobicContact CE1-CE2 4.46Å; Y151-F325 HydrophobicContact CE1-CZ 4.36Å
152	G	97.8	Very high	91.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120	166	0	0	0	0	0	109.6	C115 F116 L175	C115-G152 CarbonylContact C-O 3.5Å; C115-G152 WeakPolarHBondContact CA-O 3.47Å; C115-G152 WeakPolarHBondContact CB-O 3.35Å; F116-G152 PolarHBondContact N-O 3.36Å; F116-G152 PolarHBondContact O-N 3.38Å; G152-L175 WeakPolarHBondContact CA-O 3.39Å
153	Y	98.4	Very high	92.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.1	173.3	-58.5	-74.8	0	0	0	108.5	C115 Y151 V174 L175 L179 P180 Y181 I182 F185 H186 L189	C115-Y153 HydrophobicContact CB-CD1 3.72Å; C115-Y153 HydrophobicContact CB-CE1 3.97Å; Y151-Y153 WeakPolarHBondContact CB-OH 3.11Å; Y153-V174 CarbonylContact O-C 3.58Å; Y153-V174 WeakPolarHBondContact O-CA 3.28Å; Y153-L175 HydrophobicContact CD2-CB 4.46Å; Y153-L175 PolarHBondContact N-O 2.89Å; Y153-L175 PolarHBondContact O-N 3.1Å; Y153-L179 PolarHBondContact OH-O 3.1Å; Y153-L179 VanDerWaalsContact OH-O 3.05Å; Y153-P180 WeakPolarHBondContact OH-CA 3.41Å; Y153-Y181 PolarHBondContact OH-N 3.37Å; Y153-I182 HydrophobicContact CE1-CB 4.43Å; Y153-I182 HydrophobicContact CE1-CD1 3.75Å; Y153-I182 HydrophobicContact CE1-CG2 4.37Å; Y153-F185 HydrophobicContact CD1-CB 4.02Å; Y153-F185 HydrophobicContact CD2-CB 3.53Å; Y153-F185 AromaticContact CD2-CD2 3.67Å; Y153-F185 HydrophobicContact CD2-CD2 3.67Å; Y153-F185 AromaticContact CD2-CG 3.73Å; Y153-F185 HydrophobicContact CD2-CG 3.73Å; Y153-F185 HydrophobicContact CE1-CB 4.43Å; Y153-F185 HydrophobicContact CE2-CB 3.97Å; Y153-F185 AromaticContact CE2-CD2 3.25Å; Y153-F185 HydrophobicContact CE2-CD2 3.25Å; Y153-F185 AromaticContact CE2-CE2 3.93Å; Y153-F185 HydrophobicContact CE2-CE2 3.93Å; Y153-F185 AromaticContact CE2-CG 3.83Å; Y153-F185 HydrophobicContact CE2-CG 3.83Å; Y153-F185 HydrophobicContact CG-CB 3.55Å; Y153-F185 HydrophobicContact CG-CD2 4.44Å; Y153-F185 HydrophobicContact CG-CG 4.28Å; Y153-F185 AromaticContact CZ-CD2 3.74Å; Y153-H186 AromaticContact CD1-CD2 3.87Å; Y153-H186 AromaticContact CD1-NE2 3.88Å; Y153-L189 WeakPolarHBondContact O-CD1 3.43Å
154	V	98.2	Very high	91.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.9	-169.7	-173.1	0	0	0	0	110.4	Q113 F114 F116 F156 V174	Q113-V154 VanDerWaalsContact CA-O 3.3Å; Q113-V154 WeakPolarHBondContact CA-O 3.48Å; F114-V154 HydrophobicContact CD1-CB 4.06Å; F114-V154 HydrophobicContact CD1-CG1 4.21Å; F114-V154 HydrophobicContact CD2-CB 4.3Å; F114-V154 HydrophobicContact CD2-CG2 4.25Å; F114-V154 HydrophobicContact CE1-CB 3.91Å; F114-V154 HydrophobicContact CE1-CG1 3.6Å; F114-V154 HydrophobicContact CE2-CB 4.16Å; F114-V154 HydrophobicContact CE2-CG1 4.33Å; F114-V154 HydrophobicContact CE2-CG2 3.98Å; F114-V154 HydrophobicContact CG-CB 4.26Å; F114-V154 HydrophobicContact CZ-CB 3.97Å; F114-V154 HydrophobicContact CZ-CG1 3.67Å; F114-V154 HydrophobicContact CZ-CG2 4.16Å; F114-V154 PolarHBondContact N-O 3.31Å; F114-V154 WeakPolarHBondContact O-CB 3.1Å; F114-V154 PolarHBondContact O-N 3.33Å; F116-V154 HydrophobicContact CD1-CG2 3.67Å; F116-V154 HydrophobicContact CE1-CG2 3.46Å; F116-V154 VanDerWaalsContact CE1-CG2 3.46Å; V154-F156 HydrophobicContact CG1-CB 4.16Å; V154-V174 HydrophobicContact CG2-CG1 4.28Å
155	Y	97.9	Very high	91.8	Very high	20 Å²	20	57 Å²	57	8%	0.078	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	106.3	157.3	-168.2	-63.2	0	0	0	107.6	D111 Q113 S172 L173 L189 K190 A193 P194 F197	D111-Y155 HydrophobicContact CB-CE1 3.7Å; D111-Y155 WeakPolarHBondContact CB-OH 3.23Å; D111-Y155 PolarHBondContact OD2-OH 3.17Å; D111-Y155 VanDerWaalsContact OD2-OH 3.09Å; Q113-Y155 HydrophobicContact CG-CD2 3.64Å; Q113-Y155 HydrophobicContact CG-CE2 4.22Å; Q113-Y155 HydrophobicContact CG-CG 4.13Å; Y155-S172 VanDerWaalsContact O-CA 3.3Å; Y155-S172 WeakPolarHBondContact O-CA 3.18Å; Y155-L173 PolarHBondContact N-O 2.98Å; Y155-L173 PolarHBondContact O-N 3.2Å; Y155-L189 HydrophobicContact CD2-CB 4.29Å; Y155-K190 HydrophobicContact CE2-CG 4.41Å; Y155-A193 HydrophobicContact CD1-CB 3.6Å; Y155-A193 HydrophobicContact CD2-CB 3.7Å; Y155-A193 HydrophobicContact CE1-CB 4.1Å; Y155-A193 HydrophobicContact CE2-CB 4.2Å; Y155-A193 HydrophobicContact CG-CB 3.38Å; Y155-P194 HydrophobicContact CE2-CG 4.35Å; Y155-F197 AromaticContact CD1-CE2 3.76Å; Y155-F197 HydrophobicContact CD1-CE2 3.76Å; Y155-F197 HydrophobicContact CD1-CZ 4.3Å; Y155-F197 AromaticContact CE1-CE2 3.91Å; Y155-F197 HydrophobicContact CE1-CE2 3.91Å
156	F	96.6	Very high	91.6	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127	178.6	170.3	-109.8	0	0	0	110	F101 P102 C108 D111 T112 F114 V154 Q158 Q170 S172	F101-F156 HydrophobicContact CD1-CD2 4.49Å; F101-F156 AromaticContact CD1-CE2 3.77Å; F101-F156 HydrophobicContact CD1-CE2 3.77Å; F101-F156 HydrophobicContact CD1-CZ 4.48Å; F101-F156 AromaticContact CE1-CE2 3.82Å; F101-F156 HydrophobicContact CE1-CE2 3.82Å; F101-F156 HydrophobicContact CG-CE2 4.32Å; F101-F156 HydrophobicContact CZ-CE2 4.36Å; P102-F156 HydrophobicContact CG-CD1 3.74Å; P102-F156 HydrophobicContact CG-CE1 3.57Å; P102-F156 HydrophobicContact CG-CG 4.44Å; P102-F156 HydrophobicContact CG-CZ 4.13Å; C108-F156 HydrophobicContact CB-CE1 4.34Å; D111-F156 WeakPolarHBondContact CA-O 3.12Å; T112-F156 PolarHBondContact N-O 2.94Å; T112-F156 PolarHBondContact O-N 2.83Å; F114-F156 HydrophobicContact CE1-CB 4Å; V154-F156 HydrophobicContact CG1-CB 4.16Å; F156-Q158 HydrophobicContact CE1-CB 3.64Å; F156-Q158 HydrophobicContact CZ-CB 3.73Å; F156-Q170 HydrophobicContact CE2-CB 4.07Å; F156-Q170 HydrophobicContact CE2-CG 4.09Å; F156-Q170 HydrophobicContact CZ-CB 4.38Å; F156-Q170 HydrophobicContact CZ-CG 3.9Å; F156-S172 WeakPolarHBondContact CB-OG 3.43Å; F156-S172 VanDerWaalsContact CD2-OG 3.32Å; F156-S172 WeakPolarHBondContact CD2-OG 3.46Å
157	R	94.8	Very high	91.6	Very high	31 Å²	31	60 Å²	60	12%	0.117	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.5	173.2	174	165.5	-75.7	-180	-2.1	109.9	D111 V159 F169 Q170 K171 F197 E198	D111-R157 WeakPolarHBondContact OD1-CA 3.49Å; D111-R157 WeakPolarHBondContact OD1-CB 3.16Å; D111-R157 VanDerWaalsContact OD1-CG 3.22Å; D111-R157 WeakPolarHBondContact OD1-CG 3.14Å; D111-R157 IonicContact OD1-CZ 3.36Å; D111-R157 IonicContact OD1-NE 2.91Å; D111-R157 PolarHBondContact OD1-NE 3.13Å; D111-R157 IonicContact OD1-NH2 2.83Å; D111-R157 IonicContact OD2-CZ 3.98Å; D111-R157 IonicContact OD2-NE 2.59Å; D111-R157 PolarHBondContact OD2-NE 2.82Å; D111-R157 IonicContact OD2-NH2 2.94Å; D111-R157 PolarHBondContact OD2-NH2 3.29Å; R157-V159 HydrophobicContact CG-CG1 4.09Å; R157-F169 HydrophobicContact CB-CE1 4.15Å; R157-F169 HydrophobicContact CG-CD1 4Å; R157-F169 HydrophobicContact CG-CE1 3.89Å; R157-Q170 WeakPolarHBondContact O-CA 3.41Å; R157-K171 PolarHBondContact N-O 2.98Å; R157-K171 PolarHBondContact O-N 3.39Å; R157-K171 VanDerWaalsContact O-N 3.1Å; R157-F197 HydrophobicContact CB-CD2 3.95Å; R157-F197 HydrophobicContact CB-CE2 3.56Å; R157-F197 HydrophobicContact CB-CZ 4.16Å; R157-F197 HydrophobicContact CG-CD2 4.44Å; R157-E198 IonicContact NH1-OE1 3.89Å; R157-E198 PolarHBondContact NH1-OE1 3.39Å
158	Q	92.8	Very high	91.8	Very high	10 Å²	10	59 Å²	59	5%	0.047	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	104.7	167.5	178.2	171.2	-9.6	0	0	111.5	C108 L109 G110 F156 Y168 F169 Q170	C108-Q158 WeakPolarHBondContact O-CB 3.13Å; C108-Q158 PolarHBondContact O-OE1 3.22Å; L109-Q158 HydrophobicContact CD2-CG 4.23Å; G110-Q158 PolarHBondContact N-O 3.34Å; G110-Q158 PolarHBondContact O-N 2.97Å; F156-Q158 HydrophobicContact CE1-CB 3.64Å; F156-Q158 HydrophobicContact CZ-CB 3.73Å; Q158-Y168 HydrophobicContact CG-CD1 4.03Å; Q158-F169 WeakPolarHBondContact CA-O 3.46Å; Q158-Q170 HydrophobicContact CB-CG 4.02Å; Q158-Q170 HydrophobicContact CG-CG 3.76Å
159	V	92.2	Very high	91.8	Very high	61 Å²	61	59 Å²	59	37%	0.37	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	153.5	176.4	-63.4	0	0	0	0	110.8	R157 D161 Y168 F169	R157-V159 HydrophobicContact CG-CG1 4.09Å; V159-D161 PolarHBondContact O-N 3.27Å; V159-Y168 CarbonylContact O-C 3.55Å; V159-Y168 VanDerWaalsContact O-CA 3.24Å; V159-Y168 WeakPolarHBondContact O-CA 3.29Å; V159-F169 HydrophobicContact CG2-CB 3.84Å; V159-F169 HydrophobicContact CG2-CD1 4.2Å; V159-F169 HydrophobicContact CG2-CG 4.33Å; V159-F169 PolarHBondContact N-O 3.23Å; V159-F169 PolarHBondContact O-N 3.02Å
160	R	90.6	Very high	91.8	Very high	188 Å²	188	58.6 Å²	58.6	71%	0.709	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	124.7	174.2	-79.6	-179.7	176.4	163	2.1	109.5	Y168	R160-Y168 HydrophobicContact CB-CE1 4.42Å; R160-Y168 HydrophobicContact CG-CD1 3.82Å; R160-Y168 HydrophobicContact CG-CE1 3.29Å; R160-Y168 PolarHBondContact NE-OH 3.11Å; R160-Y168 VanDerWaalsContact NE-OH 3.13Å
161	D	89.5	Confident	91.8	Very high	46 Å²	46	60.2 Å²	60.2	25%	0.246	28%	0.28	C	S	.	.			trans	-134.4	120	175.4	-174.6	-11.4	0	0	0	108.8	V159 T163 L164 G167 F169	V159-D161 PolarHBondContact O-N 3.27Å; D161-T163 VanDerWaalsContact CG-OG1 3.26Å; D161-T163 WeakPolarHBondContact OD1-CB 3.3Å; D161-T163 WeakPolarHBondContact OD1-CG2 3.47Å; D161-T163 PolarHBondContact OD1-N 3.26Å; D161-T163 PolarHBondContact OD1-OG1 3.03Å; D161-T163 PolarHBondContact OD2-OG1 2.94Å; D161-L164 HydrophobicContact CB-CD1 4.1Å; D161-L164 HydrophobicContact CB-CG 4.26Å; D161-G167 PolarHBondContact N-O 2.69Å; D161-G167 VanDerWaalsContact N-O 3.08Å; D161-G167 CarbonylContact O-C 3.45Å; D161-G167 WeakPolarHBondContact O-CA 3.34Å; D161-F169 HydrophobicContact CB-CB 4.38Å
162	K	91.2	Very high	91.8	Very high	211 Å²	211	59.4 Å²	59.4	92%	0.917	28%	0.277	S	S	*	.	S	Bend	trans	-82.4	-13.5	-178.9	-63.8	-179	-178.9	177.2	0	113.2
163	T	89.7	Confident	91.9	Very high	119 Å²	119	59.4 Å²	59.4	73%	0.73	28%	0.277	S	S	*	.	S	Bend	trans	-77.6	-31.7	178.1	71.2	0	0	0	0	111.3	D161	D161-T163 VanDerWaalsContact CG-OG1 3.26Å; D161-T163 WeakPolarHBondContact OD1-CB 3.3Å; D161-T163 WeakPolarHBondContact OD1-CG2 3.47Å; D161-T163 PolarHBondContact OD1-N 3.26Å; D161-T163 PolarHBondContact OD1-OG1 3.03Å; D161-T163 PolarHBondContact OD2-OG1 2.94Å
164	L	86.2	Confident	91.9	Very high	73 Å²	73	59.4 Å²	59.4	38%	0.382	28%	0.277	S	S	.	.	S	Bend	trans	-79.3	134.7	177.2	-60	177.8	0	0	0	111.3	D161 R166 G167 F169	D161-L164 HydrophobicContact CB-CD1 4.1Å; D161-L164 HydrophobicContact CB-CG 4.26Å; L164-R166 PolarHBondContact O-N 3.31Å; L164-G167 PolarHBondContact O-N 3.28Å; L164-F169 HydrophobicContact CD1-CB 3.88Å; L164-F169 HydrophobicContact CD1-CD2 4.39Å
165	K	83.8	Confident	91.9	Very high	198 Å²	198	59.4 Å²	59.4	86%	0.861	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-24.4	-179.9	-65.6	178.6	-179.2	172.8	0	114.7	L72	L72-K165 HydrophobicContact CD1-CB 4.2Å; L72-K165 HydrophobicContact CD1-CD 3.77Å
166	R	82.9	Confident	91.8	Very high	91 Å²	91	58.4 Å²	58.4	34%	0.343	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-1.4	-176.2	-163.5	163.9	167	-84.7	22	114	F70 L72 L164 Y168 Q170	F70-R166 VanDerWaalsContact CE1-NE 3.27Å; L72-R166 HydrophobicContact CD2-CB 4.35Å; L164-R166 PolarHBondContact O-N 3.31Å; R166-Y168 PolarHBondContact O-N 3.28Å; R166-Q170 VanDerWaalsContact CZ-OE1 3.23Å
167	G	85.5	Confident	91.8	Very high	30 Å²	30	58.5 Å²	58.5	31%	0.309	27%	0.274	S	S	.	.	S	Bend	trans	73.4	0.4	179.2	0	0	0	0	0	115.7	D161 L164	D161-G167 PolarHBondContact N-O 2.69Å; D161-G167 VanDerWaalsContact N-O 3.08Å; D161-G167 CarbonylContact O-C 3.45Å; D161-G167 WeakPolarHBondContact O-CA 3.34Å; L164-G167 PolarHBondContact O-N 3.28Å
168	Y	87.3	Confident	91.6	Very high	70 Å²	70	58.9 Å²	58.9	28%	0.275	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	134.9	-177.9	-66.7	-91.5	0	0	0	110.6	L109 Q158 V159 R160 R166	L109-Y168 HydrophobicContact CD2-CD1 4.32Å; L109-Y168 HydrophobicContact CD2-CE1 3.72Å; Q158-Y168 HydrophobicContact CG-CD1 4.03Å; V159-Y168 CarbonylContact O-C 3.55Å; V159-Y168 VanDerWaalsContact O-CA 3.24Å; V159-Y168 WeakPolarHBondContact O-CA 3.29Å; R160-Y168 HydrophobicContact CB-CE1 4.42Å; R160-Y168 HydrophobicContact CG-CD1 3.82Å; R160-Y168 HydrophobicContact CG-CE1 3.29Å; R160-Y168 PolarHBondContact NE-OH 3.11Å; R160-Y168 VanDerWaalsContact NE-OH 3.13Å; R166-Y168 PolarHBondContact O-N 3.28Å
169	F	89.6	Confident	91.7	Very high	49 Å²	49	59 Å²	59	22%	0.215	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134	157	175.4	-84.8	0	0	0	107.9	R157 Q158 V159 D161 L164 K171 F197	R157-F169 HydrophobicContact CB-CE1 4.15Å; R157-F169 HydrophobicContact CG-CD1 4Å; R157-F169 HydrophobicContact CG-CE1 3.89Å; Q158-F169 WeakPolarHBondContact CA-O 3.46Å; V159-F169 HydrophobicContact CG2-CB 3.84Å; V159-F169 HydrophobicContact CG2-CD1 4.2Å; V159-F169 HydrophobicContact CG2-CG 4.33Å; V159-F169 PolarHBondContact N-O 3.23Å; V159-F169 PolarHBondContact O-N 3.02Å; D161-F169 HydrophobicContact CB-CB 4.38Å; L164-F169 HydrophobicContact CD1-CB 3.88Å; L164-F169 HydrophobicContact CD1-CD2 4.39Å; F169-K171 HydrophobicContact CD1-CB 4.38Å; F169-K171 HydrophobicContact CE1-CB 3.54Å; F169-K171 HydrophobicContact CE2-CB 4.41Å; F169-K171 HydrophobicContact CE2-CD 4.28Å; F169-K171 HydrophobicContact CZ-CB 3.57Å; F169-K171 HydrophobicContact CZ-CD 3.79Å; F169-K171 HydrophobicContact CZ-CG 4.31Å; F169-F197 HydrophobicContact CZ-CB 4.42Å; F169-F197 HydrophobicContact CZ-CD1 4.27Å; F169-F197 HydrophobicContact CZ-CG 4.41Å
170	Q	91.9	Very high	91.7	Very high	15 Å²	15	56.6 Å²	56.6	7%	0.07	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	117.6	172.6	-82.7	-172.7	-38.7	0	0	109	F70 F101 N105 F156 R157 Q158 R166	F70-Q170 HydrophobicContact CB-CB 4.43Å; F101-Q170 HydrophobicContact CE1-CB 3.92Å; N105-Q170 PolarHBondContact OD1-NE2 3.49Å; N105-Q170 VanDerWaalsContact OD1-NE2 3.15Å; F156-Q170 HydrophobicContact CE2-CB 4.07Å; F156-Q170 HydrophobicContact CE2-CG 4.09Å; F156-Q170 HydrophobicContact CZ-CB 4.38Å; F156-Q170 HydrophobicContact CZ-CG 3.9Å; R157-Q170 WeakPolarHBondContact O-CA 3.41Å; Q158-Q170 HydrophobicContact CB-CG 4.02Å; Q158-Q170 HydrophobicContact CG-CG 3.76Å; R166-Q170 VanDerWaalsContact CZ-OE1 3.23Å
171	K	94.7	Very high	91.9	Very high	35 Å²	35	47.7 Å²	47.7	15%	0.152	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	145.9	-178.5	-159.5	164.7	-174.1	155.4	0	111.4	V67 E79 R157 F169 F197	V67-K171 HydrophobicContact CG1-CD 4.39Å; V67-K171 HydrophobicContact CG1-CG 4.32Å; E79-K171 VanDerWaalsContact CD-NZ 3.32Å; E79-K171 VanDerWaalsContact OE1-CE 3.3Å; E79-K171 WeakPolarHBondContact OE1-CE 3.3Å; E79-K171 IonicContact OE1-NZ 3.8Å; E79-K171 PolarHBondContact OE1-NZ 3.14Å; E79-K171 WeakPolarHBondContact OE2-CE 3.46Å; E79-K171 IonicContact OE2-NZ 2.75Å; E79-K171 PolarHBondContact OE2-NZ 3.43Å; R157-K171 PolarHBondContact N-O 2.98Å; R157-K171 PolarHBondContact O-N 3.39Å; R157-K171 VanDerWaalsContact O-N 3.1Å; F169-K171 HydrophobicContact CD1-CB 4.38Å; F169-K171 HydrophobicContact CE1-CB 3.54Å; F169-K171 HydrophobicContact CE2-CB 4.41Å; F169-K171 HydrophobicContact CE2-CD 4.28Å; F169-K171 HydrophobicContact CZ-CB 3.57Å; F169-K171 HydrophobicContact CZ-CD 3.79Å; F169-K171 HydrophobicContact CZ-CG 4.31Å; K171-F197 HydrophobicContact CB-CD1 4.39Å; K171-F197 HydrophobicContact CB-CE1 3.98Å; K171-F197 HydrophobicContact CD-CD1 4.11Å; K171-F197 HydrophobicContact CD-CE1 4.19Å; K171-F197 HydrophobicContact CG-CD1 4.3Å; K171-F197 HydrophobicContact CG-CE1 3.89Å
172	S	97.2	Very high	92.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.6	176.7	-74.9	0	0	0	0	112	V67 V68 S100 Y155 F156	V67-S172 WeakPolarHBondContact CA-O 3.45Å; V68-S172 PolarHBondContact N-O 3.01Å; V68-S172 PolarHBondContact O-N 3.12Å; S100-S172 PolarHBondContact O-OG 3.45Å; Y155-S172 VanDerWaalsContact O-CA 3.3Å; Y155-S172 WeakPolarHBondContact O-CA 3.18Å; F156-S172 WeakPolarHBondContact CB-OG 3.43Å; F156-S172 VanDerWaalsContact CD2-OG 3.32Å; F156-S172 WeakPolarHBondContact CD2-OG 3.46Å
173	L	98.1	Very high	92.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.3	161.4	-172.3	67.5	0	0	0	108.6	V65 V67 Y155 L189 I192 A193 Y196 F197 L204	V65-L173 HydrophobicContact CG1-CD1 3.55Å; V65-L173 HydrophobicContact CG1-CG 4.19Å; V67-L173 HydrophobicContact CG2-CD1 3.76Å; Y155-L173 PolarHBondContact N-O 2.98Å; Y155-L173 PolarHBondContact O-N 3.2Å; L173-L189 HydrophobicContact CB-CD2 4.24Å; L173-L189 HydrophobicContact CD2-CD2 4Å; L173-L189 HydrophobicContact CG-CD2 4.01Å; L173-I192 HydrophobicContact CD2-CB 4Å; L173-I192 HydrophobicContact CD2-CG2 3.64Å; L173-A193 HydrophobicContact CB-CB 4.07Å; L173-A193 HydrophobicContact CD2-CB 3.85Å; L173-Y196 HydrophobicContact CD1-CD1 4.12Å; L173-Y196 HydrophobicContact CD1-CE1 4.38Å; L173-F197 HydrophobicContact CB-CE1 4.46Å; L173-F197 HydrophobicContact CB-CZ 4.32Å; L173-L204 HydrophobicContact CD1-CD1 4.32Å; L173-L204 HydrophobicContact CD1-CD2 4.31Å
174	V	98.4	Very high	92.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	117.9	-168.2	-166.7	0	0	0	0	111	V65 C66 V68 S100 F116 Y153 V154 I176	V65-V174 CarbonylContact C-O 3.6Å; V65-V174 WeakPolarHBondContact CA-O 3.48Å; C66-V174 HydrophobicContact CB-CB 4.29Å; C66-V174 PolarHBondContact N-O 3.08Å; C66-V174 WeakPolarHBondContact O-CB 3.31Å; C66-V174 PolarHBondContact O-N 3.28Å; V68-V174 HydrophobicContact CG2-CG2 4.05Å; S100-V174 WeakPolarHBondContact OG-CG2 3.33Å; F116-V174 HydrophobicContact CE1-CG1 4.2Å; F116-V174 HydrophobicContact CZ-CG1 4.2Å; Y153-V174 CarbonylContact O-C 3.58Å; Y153-V174 WeakPolarHBondContact O-CA 3.28Å; V154-V174 HydrophobicContact CG2-CG1 4.28Å; V174-I176 HydrophobicContact CG1-CD1 3.75Å
175	L	98.4	Very high	93	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125	171.6	-51.4	-177.5	0	0	0	109.5	L62 V65 G152 Y153 F185 V188 L189	L62-L175 HydrophobicContact CD1-CD2 4.22Å; L62-L175 HydrophobicContact CD2-CB 3.9Å; V65-L175 HydrophobicContact CB-CD2 4.33Å; V65-L175 HydrophobicContact CG1-CD2 3.96Å; V65-L175 HydrophobicContact CG2-CD2 3.62Å; G152-L175 WeakPolarHBondContact CA-O 3.39Å; Y153-L175 HydrophobicContact CD2-CB 4.46Å; Y153-L175 PolarHBondContact N-O 2.89Å; Y153-L175 PolarHBondContact O-N 3.1Å; L175-F185 HydrophobicContact CD1-CB 4.2Å; L175-F185 HydrophobicContact CD1-CD1 3.81Å; L175-F185 HydrophobicContact CD1-CG 4.42Å; L175-V188 HydrophobicContact CD1-CB 4.11Å; L175-V188 HydrophobicContact CD1-CG1 3.79Å; L175-L189 HydrophobicContact CD1-CD1 4.4Å; L175-L189 HydrophobicContact CD1-CD2 4.27Å; L175-L189 HydrophobicContact CD1-CG 3.81Å; L175-L189 HydrophobicContact CD2-CD2 4.25Å; L175-L189 HydrophobicContact CG-CD1 4.24Å; L175-L189 HydrophobicContact CG-CD2 3.82Å; L175-L189 HydrophobicContact CG-CG 3.82Å
176	I	97.6	Very high	93.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122	175.8	-51	-60.3	0	0	0	109.1	H63 C64 I96 F118 F150 Y151 V174	H63-I176 HydrophobicContact CB-CG2 4.25Å; H63-I176 PolarHBondContact N-O 3.01Å; C64-I176 PolarHBondContact O-N 2.77Å; I96-I176 HydrophobicContact CD1-CD1 3.75Å; I96-I176 HydrophobicContact CD1-CG1 4.09Å; I96-I176 HydrophobicContact CG1-CD1 3.93Å; F118-I176 HydrophobicContact CE1-CD1 4.34Å; F118-I176 HydrophobicContact CZ-CD1 4.41Å; F118-I176 HydrophobicContact CZ-CG2 4.24Å; F150-I176 HydrophobicContact CB-CG2 4.04Å; F150-I176 HydrophobicContact CD1-CG2 3.94Å; F150-I176 HydrophobicContact CD2-CG2 4.46Å; F150-I176 HydrophobicContact CE1-CG2 4.46Å; F150-I176 HydrophobicContact CG-CG2 3.94Å; Y151-I176 WeakPolarHBondContact O-CA 3.43Å; V174-I176 HydrophobicContact CG1-CD1 3.75Å
177	S	95.4	Very high	94.1	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.014	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	165.1	178.3	-169.7	0	0	0	0	112.9	W61 Y151 L179	W61-S177 WeakPolarHBondContact O-CB 3.28Å; W61-S177 PolarHBondContact O-OG 2.94Å; Y151-S177 PolarHBondContact N-O 3.05Å; Y151-S177 PolarHBondContact O-N 3.21Å; S177-L179 PolarHBondContact OG-N 3.36Å; S177-L179 VanDerWaalsContact OG-N 3.08Å
178	K	91.8	Very high	94.7	Very high	38 Å²	38	16.8 Å²	16.8	17%	0.165	8%	0.077	C	C	.	.	S	Bend	trans	-96.6	-13.2	166.3	-64.8	-170.5	175.6	-167.3	0	112.9	K145 F150	K145-K178 WeakPolarHBondContact CB-O 3.42Å; F150-K178 HydrophobicContact CD1-CG 3.69Å; F150-K178 HydrophobicContact CE1-CD 4.2Å; F150-K178 VanDerWaalsContact CE1-CE 3.42Å; F150-K178 HydrophobicContact CE1-CG 3.69Å
179	L	93	Very high	95.1	Very high	12 Å²	12	13.5 Å²	13.5	6%	0.063	6%	0.064	C	C	.	.	S	Bend	trans	-84.2	123.5	-179.4	-57.2	174.1	0	0	0	109.4	W61 Y153 S177 Y181 F185 P217	W61-L179 HydrophobicContact CE3-CD1 4.21Å; Y153-L179 PolarHBondContact OH-O 3.1Å; Y153-L179 VanDerWaalsContact OH-O 3.05Å; S177-L179 PolarHBondContact OG-N 3.36Å; S177-L179 VanDerWaalsContact OG-N 3.08Å; L179-Y181 HydrophobicContact CB-CD1 4.29Å; L179-Y181 HydrophobicContact CB-CD2 3.9Å; L179-Y181 HydrophobicContact CB-CE1 4.37Å; L179-Y181 HydrophobicContact CB-CE2 4.02Å; L179-Y181 HydrophobicContact CB-CG 4.04Å; L179-Y181 HydrophobicContact CD1-CD2 4.1Å; L179-Y181 HydrophobicContact CD1-CE2 3.79Å; L179-Y181 HydrophobicContact CD2-CE2 4.41Å; L179-Y181 HydrophobicContact CG-CE2 4.3Å; L179-Y181 PolarHBondContact O-N 3.18Å; L179-F185 HydrophobicContact CB-CE2 4.12Å; L179-P217 HydrophobicContact CD1-CB 4.23Å; L179-P217 HydrophobicContact CD1-CG 4.02Å
180	P	93	Very high	95.3	Very high	11 Å²	11	17.2 Å²	17.2	7%	0.071	8%	0.08	C	C	.	.			trans	-78.3	40.8	-176.9	33.9	-37.5	0	0	0	113	L143 Y151 Y153 I182	L143-P180 HydrophobicContact CD2-CG 4.33Å; L143-P180 WeakPolarHBondContact O-CD 3.01Å; L143-P180 WeakPolarHBondContact O-CG 3.28Å; Y151-P180 HydrophobicContact CE1-CB 4.39Å; Y151-P180 HydrophobicContact CE2-CB 3.93Å; Y153-P180 WeakPolarHBondContact OH-CA 3.41Å; P180-I182 VanDerWaalsContact C-N 3.31Å; P180-I182 PolarHBondContact O-N 2.88Å
181	Y	94.4	Very high	95.4	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	9%	0.091	C	C	.	.			trans	-88.8	65.9	-171.4	-59.4	-13	0	0	0	111.4	W61 L143 Y153 L179 H183 F184 F185 P217 I236 V266	W61-Y181 HydrophobicContact CZ3-CD2 4.15Å; W61-Y181 HydrophobicContact CZ3-CE2 4.18Å; L143-Y181 HydrophobicContact CB-CE1 4.42Å; L143-Y181 HydrophobicContact CD1-CE1 4.22Å; L143-Y181 HydrophobicContact CD2-CD1 4.28Å; L143-Y181 HydrophobicContact CD2-CE1 4.26Å; Y153-Y181 PolarHBondContact OH-N 3.37Å; L179-Y181 HydrophobicContact CB-CD1 4.29Å; L179-Y181 HydrophobicContact CB-CD2 3.9Å; L179-Y181 HydrophobicContact CB-CE1 4.37Å; L179-Y181 HydrophobicContact CB-CE2 4.02Å; L179-Y181 HydrophobicContact CB-CG 4.04Å; L179-Y181 HydrophobicContact CD1-CD2 4.1Å; L179-Y181 HydrophobicContact CD1-CE2 3.79Å; L179-Y181 HydrophobicContact CD2-CE2 4.41Å; L179-Y181 HydrophobicContact CG-CE2 4.3Å; L179-Y181 PolarHBondContact O-N 3.18Å; Y181-H183 PolarHBondContact O-N 2.87Å; Y181-F184 PolarHBondContact O-N 2.95Å; Y181-F185 VanDerWaalsContact O-CD2 3.29Å; Y181-F185 WeakPolarHBondContact O-CD2 3.49Å; Y181-F185 PolarHBondContact O-N 3.42Å; Y181-P217 HydrophobicContact CE2-CB 4.25Å; Y181-I236 HydrophobicContact CE2-CD1 3.87Å; Y181-I236 HydrophobicContact CE2-CG1 4.2Å; Y181-V266 CarbonylContact C-O 3.55Å; Y181-V266 VanDerWaalsContact CA-O 3.25Å; Y181-V266 WeakPolarHBondContact CA-O 3.25Å; Y181-V266 HydrophobicContact CD1-CB 4.2Å; Y181-V266 HydrophobicContact CD1-CG2 3.88Å; Y181-V266 HydrophobicContact CE1-CG2 4.22Å; Y181-V266 HydrophobicContact CG-CB 4.05Å; Y181-V266 HydrophobicContact CG-CG2 4.25Å
182	I	93.7	Very high	95.5	Very high	8 Å²	8	18 Å²	18	4%	0.041	9%	0.085	C	C	.	.	H	α-helix	trans	-52.3	-54.4	-171.5	-38.2	-59	0	0	0	112.9	Y153 P180 F184 H186 V266 V269 L310	Y153-I182 HydrophobicContact CE1-CB 4.43Å; Y153-I182 HydrophobicContact CE1-CD1 3.75Å; Y153-I182 HydrophobicContact CE1-CG2 4.37Å; P180-I182 VanDerWaalsContact C-N 3.31Å; P180-I182 PolarHBondContact O-N 2.88Å; I182-F184 VanDerWaalsContact C-N 3.33Å; I182-F184 PolarHBondContact O-N 3.26Å; I182-H186 WeakPolarHBondContact O-CB 3.07Å; I182-H186 VanDerWaalsContact O-CG 3.31Å; I182-H186 PolarHBondContact O-N 3.05Å; I182-V266 PolarHBondContact N-O 3.17Å; I182-V269 HydrophobicContact CG2-CG1 4.42Å; I182-L310 HydrophobicContact CB-CD1 4.41Å; I182-L310 HydrophobicContact CD1-CD1 3.89Å; I182-L310 HydrophobicContact CD1-CD2 4.11Å; I182-L310 HydrophobicContact CG1-CD1 3.82Å; I182-L310 HydrophobicContact CG1-CD2 4.42Å; I182-L310 HydrophobicContact CG2-CD1 3.77Å
183	H	93.1	Very high	95.4	Very high	64 Å²	64	18 Å²	18	30%	0.296	9%	0.085	S	C	.	.	H	α-helix	trans	-68.2	-35.8	-176.5	-173.9	10.1	0	0	0	111.5	Y181 T187 T265 V266	Y181-H183 PolarHBondContact O-N 2.87Å; H183-T187 WeakPolarHBondContact O-CB 3.25Å; H183-T187 PolarHBondContact O-N 2.7Å; H183-T187 VanDerWaalsContact O-N 3.07Å; H183-T187 PolarHBondContact O-OG1 2.86Å; H183-T265 PolarHBondContact CD2-O 3.35Å; H183-T265 VanDerWaalsContact CD2-O 3.24Å; H183-V266 PolarHBondContact N-O 3.33Å
184	F	95.9	Very high	95.3	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	9%	0.094	C	C	.	.	H	α-helix	trans	-63.2	-57.4	175.9	176.7	-110.4	0	0	0	111.6	W61 Y181 I182 H186 T187 V188 W214 L225 M232 V234 L263 V266	W61-F184 HydrophobicContact CE3-CD1 4.35Å; W61-F184 AromaticContact CE3-CE1 3.58Å; W61-F184 HydrophobicContact CE3-CE1 3.58Å; W61-F184 HydrophobicContact CE3-CZ 4.13Å; W61-F184 HydrophobicContact CH2-CZ 4.44Å; W61-F184 HydrophobicContact CZ3-CD1 4.11Å; W61-F184 AromaticContact CZ3-CE1 3.53Å; W61-F184 HydrophobicContact CZ3-CE1 3.53Å; W61-F184 AromaticContact CZ3-CZ 3.84Å; W61-F184 HydrophobicContact CZ3-CZ 3.84Å; Y181-F184 PolarHBondContact O-N 2.95Å; I182-F184 VanDerWaalsContact C-N 3.33Å; I182-F184 PolarHBondContact O-N 3.26Å; F184-H186 VanDerWaalsContact C-N 3.31Å; F184-H186 PolarHBondContact O-N 2.95Å; F184-T187 CarbonylContact O-C 3.56Å; F184-T187 WeakPolarHBondContact O-CA 3.47Å; F184-T187 WeakPolarHBondContact O-CB 3Å; F184-T187 PolarHBondContact O-N 3.48Å; F184-V188 HydrophobicContact CD1-CG2 4.27Å; F184-V188 HydrophobicContact CD2-CG2 4.33Å; F184-V188 HydrophobicContact CE1-CG2 3.9Å; F184-V188 HydrophobicContact CE2-CG2 3.96Å; F184-V188 HydrophobicContact CG-CG2 4.48Å; F184-V188 HydrophobicContact CZ-CG2 3.74Å; F184-V188 WeakPolarHBondContact O-CG2 3.12Å; F184-V188 PolarHBondContact O-N 3.21Å; F184-W214 HydrophobicContact CE1-CH2 4.27Å; F184-W214 AromaticContact CE1-CZ3 3.83Å; F184-W214 HydrophobicContact CE1-CZ3 3.83Å; F184-W214 HydrophobicContact CZ-CE3 4.3Å; F184-W214 AromaticContact CZ-CH2 3.65Å; F184-W214 HydrophobicContact CZ-CH2 3.65Å; F184-W214 AromaticContact CZ-CZ3 3.47Å; F184-W214 HydrophobicContact CZ-CZ3 3.47Å; F184-W214 VanDerWaalsContact CZ-CZ3 3.47Å; F184-L225 HydrophobicContact CE2-CD1 3.63Å; F184-L225 HydrophobicContact CZ-CD1 3.55Å; F184-M232 HydrophobicContact CE2-CE 3.98Å; F184-M232 HydrophobicContact CE2-SD 4.33Å; F184-M232 HydrophobicContact CZ-CE 4.3Å; F184-V234 HydrophobicContact CE2-CG1 4.43Å; F184-L263 HydrophobicContact CB-CD2 3.79Å; F184-L263 HydrophobicContact CD2-CD2 3.99Å; F184-L263 HydrophobicContact CG-CD2 4.41Å; F184-V266 HydrophobicContact CB-CB 4.44Å; F184-V266 PolarHBondContact N-O 2.84Å
185	F	97.2	Very high	95.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.8	-29.5	-176.5	-68.5	-60	0	0	0	113.1	W61 L62 Y153 L175 L179 Y181 V188 L189	W61-F185 WeakPolarHBondContact O-CZ 3.48Å; L62-F185 HydrophobicContact CD2-CD1 4.04Å; L62-F185 HydrophobicContact CD2-CE1 3.49Å; L62-F185 VanDerWaalsContact CD2-CE1 3.49Å; L62-F185 HydrophobicContact CD2-CZ 4.04Å; L62-F185 HydrophobicContact CG-CE1 4.29Å; Y153-F185 HydrophobicContact CD1-CB 4.02Å; Y153-F185 HydrophobicContact CD2-CB 3.53Å; Y153-F185 AromaticContact CD2-CD2 3.67Å; Y153-F185 HydrophobicContact CD2-CD2 3.67Å; Y153-F185 AromaticContact CD2-CG 3.73Å; Y153-F185 HydrophobicContact CD2-CG 3.73Å; Y153-F185 HydrophobicContact CE1-CB 4.43Å; Y153-F185 HydrophobicContact CE2-CB 3.97Å; Y153-F185 AromaticContact CE2-CD2 3.25Å; Y153-F185 HydrophobicContact CE2-CD2 3.25Å; Y153-F185 AromaticContact CE2-CE2 3.93Å; Y153-F185 HydrophobicContact CE2-CE2 3.93Å; Y153-F185 AromaticContact CE2-CG 3.83Å; Y153-F185 HydrophobicContact CE2-CG 3.83Å; Y153-F185 HydrophobicContact CG-CB 3.55Å; Y153-F185 HydrophobicContact CG-CD2 4.44Å; Y153-F185 HydrophobicContact CG-CG 4.28Å; Y153-F185 AromaticContact CZ-CD2 3.74Å; L175-F185 HydrophobicContact CD1-CB 4.2Å; L175-F185 HydrophobicContact CD1-CD1 3.81Å; L175-F185 HydrophobicContact CD1-CG 4.42Å; L179-F185 HydrophobicContact CB-CE2 4.12Å; Y181-F185 VanDerWaalsContact O-CD2 3.29Å; Y181-F185 WeakPolarHBondContact O-CD2 3.49Å; Y181-F185 PolarHBondContact O-N 3.42Å; F185-V188 PolarHBondContact O-N 2.78Å; F185-L189 WeakPolarHBondContact O-CB 3.49Å; F185-L189 WeakPolarHBondContact O-CG 3.43Å; F185-L189 PolarHBondContact O-N 3.32Å
186	H	95.7	Very high	94.9	Very high	26 Å²	26	23.4 Å²	23.4	12%	0.12	11%	0.112	C	C	.	.	H	α-helix	trans	-64.2	-38.7	167.7	-73.7	-169.1	0	0	0	112.1	Q113 Y153 I182 F184 K190	Q113-H186 PolarHBondContact NE2-O 3.01Å; Y153-H186 AromaticContact CD1-CD2 3.87Å; Y153-H186 AromaticContact CD1-NE2 3.88Å; I182-H186 WeakPolarHBondContact O-CB 3.07Å; I182-H186 VanDerWaalsContact O-CG 3.31Å; I182-H186 PolarHBondContact O-N 3.05Å; F184-H186 VanDerWaalsContact C-N 3.31Å; F184-H186 PolarHBondContact O-N 2.95Å; H186-K190 WeakPolarHBondContact O-CG 3.35Å; H186-K190 PolarHBondContact O-N 2.79Å; H186-K190 VanDerWaalsContact O-N 3.13Å
187	T	95.2	Very high	94.8	Very high	19 Å²	19	24.7 Å²	24.7	12%	0.117	12%	0.118	C	C	.	.	H	α-helix	trans	-67.3	-43.4	174.5	-62.1	0	0	0	0	111.9	H183 F184 L189 K190 Q191 M232 V261 L263	H183-T187 WeakPolarHBondContact O-CB 3.25Å; H183-T187 PolarHBondContact O-N 2.7Å; H183-T187 VanDerWaalsContact O-N 3.07Å; H183-T187 PolarHBondContact O-OG1 2.86Å; F184-T187 CarbonylContact O-C 3.56Å; F184-T187 WeakPolarHBondContact O-CA 3.47Å; F184-T187 WeakPolarHBondContact O-CB 3Å; F184-T187 PolarHBondContact O-N 3.48Å; T187-L189 PolarHBondContact O-N 2.63Å; T187-K190 PolarHBondContact O-N 2.97Å; T187-Q191 PolarHBondContact O-N 3.08Å; T187-M232 HydrophobicContact CG2-SD 4.3Å; T187-V261 HydrophobicContact CG2-CG1 4.43Å; T187-L263 HydrophobicContact CG2-CD1 4.34Å; T187-L263 WeakPolarHBondContact OG1-CD1 3.42Å
188	V	96.3	Very high	94.6	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-55.8	-50	173.6	176.3	0	0	0	0	110.5	L175 F184 F185 K190 Q191 I192 W214 I227 M232	L175-V188 HydrophobicContact CD1-CB 4.11Å; L175-V188 HydrophobicContact CD1-CG1 3.79Å; F184-V188 HydrophobicContact CD1-CG2 4.27Å; F184-V188 HydrophobicContact CD2-CG2 4.33Å; F184-V188 HydrophobicContact CE1-CG2 3.9Å; F184-V188 HydrophobicContact CE2-CG2 3.96Å; F184-V188 HydrophobicContact CG-CG2 4.48Å; F184-V188 HydrophobicContact CZ-CG2 3.74Å; F184-V188 WeakPolarHBondContact O-CG2 3.12Å; F184-V188 PolarHBondContact O-N 3.21Å; F185-V188 PolarHBondContact O-N 2.78Å; V188-K190 VanDerWaalsContact C-N 3.29Å; V188-K190 PolarHBondContact O-N 2.64Å; V188-Q191 PolarHBondContact O-N 2.85Å; V188-I192 HydrophobicContact CG1-CD1 3.63Å; V188-I192 HydrophobicContact CG1-CG1 4.25Å; V188-I192 PolarHBondContact O-N 2.91Å; V188-W214 HydrophobicContact CG1-CH2 4.48Å; V188-W214 HydrophobicContact CG2-CH2 3.99Å; V188-I227 HydrophobicContact CG1-CD1 4Å; V188-M232 HydrophobicContact CG2-CE 3.94Å; V188-M232 HydrophobicContact CG2-SD 4.19Å
189	L	96.6	Very high	94.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.8	-32.8	178.6	-83.3	167.6	0	0	0	113.8	Y153 Y155 L173 L175 F185 T187 Q191 A193	Y153-L189 WeakPolarHBondContact O-CD1 3.43Å; Y155-L189 HydrophobicContact CD2-CB 4.29Å; L173-L189 HydrophobicContact CB-CD2 4.24Å; L173-L189 HydrophobicContact CD2-CD2 4Å; L173-L189 HydrophobicContact CG-CD2 4.01Å; L175-L189 HydrophobicContact CD1-CD1 4.4Å; L175-L189 HydrophobicContact CD1-CD2 4.27Å; L175-L189 HydrophobicContact CD1-CG 3.81Å; L175-L189 HydrophobicContact CD2-CD2 4.25Å; L175-L189 HydrophobicContact CG-CD1 4.24Å; L175-L189 HydrophobicContact CG-CD2 3.82Å; L175-L189 HydrophobicContact CG-CG 3.82Å; F185-L189 WeakPolarHBondContact O-CB 3.49Å; F185-L189 WeakPolarHBondContact O-CG 3.43Å; F185-L189 PolarHBondContact O-N 3.32Å; T187-L189 PolarHBondContact O-N 2.63Å; L189-Q191 PolarHBondContact O-N 2.66Å; L189-A193 WeakPolarHBondContact O-CB 3.48Å; L189-A193 PolarHBondContact O-N 3.33Å
190	K	94.6	Very high	94.5	Very high	128 Å²	128	37.8 Å²	37.8	56%	0.557	19%	0.185	S	C	*	.	H	α-helix	trans	-65.6	-26	175	-75.6	-175.9	-176.8	-172.8	0	113.2	Q113 Y155 H186 T187 V188 P194	Q113-K190 VanDerWaalsContact OE1-CG 3.29Å; Y155-K190 HydrophobicContact CE2-CG 4.41Å; H186-K190 WeakPolarHBondContact O-CG 3.35Å; H186-K190 PolarHBondContact O-N 2.79Å; H186-K190 VanDerWaalsContact O-N 3.13Å; T187-K190 PolarHBondContact O-N 2.97Å; V188-K190 VanDerWaalsContact C-N 3.29Å; V188-K190 PolarHBondContact O-N 2.64Å; K190-P194 WeakPolarHBondContact O-CD 3.46Å; K190-P194 WeakPolarHBondContact O-CG 3.3Å
191	Q	93.9	Very high	94.5	Very high	64 Å²	64	42.2 Å²	42.2	30%	0.299	20%	0.204	S	C	.	.	H	α-helix	trans	-84.1	-48.3	175	-53.5	-59.9	-11.6	0	0	111.1	T187 V188 L189	T187-Q191 PolarHBondContact O-N 3.08Å; V188-Q191 PolarHBondContact O-N 2.85Å; L189-Q191 PolarHBondContact O-N 2.66Å
192	I	95.9	Very high	94.4	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-74.7	-47.9	-174.1	-50.4	173.6	0	0	0	112.4	L173 V188 Y196 Y203 L204 A207 I227	L173-I192 HydrophobicContact CD2-CB 4Å; L173-I192 HydrophobicContact CD2-CG2 3.64Å; V188-I192 HydrophobicContact CG1-CD1 3.63Å; V188-I192 HydrophobicContact CG1-CG1 4.25Å; V188-I192 PolarHBondContact O-N 2.91Å; I192-Y196 VanDerWaalsContact O-CB 3.26Å; I192-Y196 WeakPolarHBondContact O-CB 3.5Å; I192-Y196 PolarHBondContact O-N 3.2Å; I192-Y203 HydrophobicContact CG2-CE1 4.29Å; I192-L204 HydrophobicContact CG2-CD1 4.32Å; I192-A207 HydrophobicContact CD1-CB 4.14Å; I192-A207 HydrophobicContact CG1-CB 4.13Å; I192-A207 HydrophobicContact CG2-CB 4.04Å; I192-I227 HydrophobicContact CD1-CD1 3.84Å; I192-I227 HydrophobicContact CG1-CD1 3.78Å
193	A	96.1	Very high	94.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.2	-45	-162.6	0	0	0	0	0	115.2	Y155 L173 L189 E195 Y196 F197	Y155-A193 HydrophobicContact CD1-CB 3.6Å; Y155-A193 HydrophobicContact CD2-CB 3.7Å; Y155-A193 HydrophobicContact CE1-CB 4.1Å; Y155-A193 HydrophobicContact CE2-CB 4.2Å; Y155-A193 HydrophobicContact CG-CB 3.38Å; L173-A193 HydrophobicContact CB-CB 4.07Å; L173-A193 HydrophobicContact CD2-CB 3.85Å; L189-A193 WeakPolarHBondContact O-CB 3.48Å; L189-A193 PolarHBondContact O-N 3.33Å; A193-E195 VanDerWaalsContact C-N 3.34Å; A193-E195 PolarHBondContact O-N 3.08Å; A193-Y196 PolarHBondContact O-N 3.16Å; A193-F197 HydrophobicContact CB-CE2 4.1Å; A193-F197 HydrophobicContact CB-CZ 4.37Å; A193-F197 WeakPolarHBondContact O-CD2 3.41Å; A193-F197 VanDerWaalsContact O-CG 3.27Å; A193-F197 WeakPolarHBondContact O-CG 3.28Å; A193-F197 PolarHBondContact O-N 3.37Å; A193-F197 VanDerWaalsContact O-N 3.09Å
194	P	94.4	Very high	94.6	Very high	30 Å²	30	44.9 Å²	44.9	20%	0.195	22%	0.224	C	C	.	.	H	α-helix	trans	-60.3	-46.3	-179.3	-20.9	32.6	0	0	0	111.6	Y155 K190 F197	Y155-P194 HydrophobicContact CE2-CG 4.35Å; K190-P194 WeakPolarHBondContact O-CD 3.46Å; K190-P194 WeakPolarHBondContact O-CG 3.3Å; P194-F197 PolarHBondContact O-N 2.89Å
195	E	94.8	Very high	94.5	Very high	76 Å²	76	49 Å²	49	36%	0.355	24%	0.242	S	C	.	.	H	α-helix	trans	-69.8	-38.5	-179.3	-67.2	-69.7	131.2	0	0	111.9	A193 F197 E198 K199 Y203	A193-E195 VanDerWaalsContact C-N 3.34Å; A193-E195 PolarHBondContact O-N 3.08Å; E195-F197 VanDerWaalsContact C-N 3.31Å; E195-F197 PolarHBondContact O-N 2.87Å; E195-E198 PolarHBondContact O-N 3.45Å; E195-K199 VanDerWaalsContact O-CB 3.29Å; E195-K199 WeakPolarHBondContact O-CB 3.39Å; E195-K199 PolarHBondContact O-N 3.02Å; E195-K199 VanDerWaalsContact OE2-CE 3.25Å; E195-K199 WeakPolarHBondContact OE2-CE 3.48Å; E195-K199 IonicContact OE2-NZ 3.72Å; E195-K199 PolarHBondContact OE2-NZ 3.39Å; E195-Y203 HydrophobicContact CB-CD1 4Å; E195-Y203 HydrophobicContact CB-CE1 3.35Å; E195-Y203 HydrophobicContact CB-CE2 3.96Å; E195-Y203 WeakPolarHBondContact CB-OH 3.45Å; E195-Y203 HydrophobicContact CG-CE1 4.39Å
196	Y	95.1	Very high	94.4	Very high	7 Å²	7	50.9 Å²	50.9	3%	0.027	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-38.6	173.3	168.9	-102.8	0	0	0	112.5	V67 L173 I192 A193 E198 K199 S200 L204	V67-Y196 HydrophobicContact CG1-CE1 3.93Å; V67-Y196 WeakPolarHBondContact CG1-OH 3.48Å; V67-Y196 HydrophobicContact CG2-CE1 3.77Å; V67-Y196 HydrophobicContact CG2-CE2 4.41Å; V67-Y196 WeakPolarHBondContact CG2-OH 3.47Å; L173-Y196 HydrophobicContact CD1-CD1 4.12Å; L173-Y196 HydrophobicContact CD1-CE1 4.38Å; I192-Y196 VanDerWaalsContact O-CB 3.26Å; I192-Y196 WeakPolarHBondContact O-CB 3.5Å; I192-Y196 PolarHBondContact O-N 3.2Å; A193-Y196 PolarHBondContact O-N 3.16Å; Y196-E198 PolarHBondContact O-N 3.42Å; Y196-K199 PolarHBondContact O-N 3.45Å; Y196-S200 VanDerWaalsContact CD2-O 3.31Å; Y196-S200 WeakPolarHBondContact CD2-O 3.39Å; Y196-S200 VanDerWaalsContact CE2-C 3.45Å; Y196-S200 WeakPolarHBondContact O-CA 3.43Å; Y196-S200 PolarHBondContact O-N 2.88Å; Y196-L204 HydrophobicContact CD2-CB 3.67Å; Y196-L204 HydrophobicContact CD2-CD2 4.48Å; Y196-L204 HydrophobicContact CE2-CB 3.97Å; Y196-L204 HydrophobicContact CE2-CD2 4.22Å
197	F	94.1	Very high	94.4	Very high	27 Å²	27	49.7 Å²	49.7	12%	0.118	25%	0.253	C	S	.	.	H	α-helix	trans	-67.2	-24.9	179.5	-62.4	-41	0	0	0	113.4	Y155 R157 F169 K171 L173 A193 P194 E195	Y155-F197 AromaticContact CD1-CE2 3.76Å; Y155-F197 HydrophobicContact CD1-CE2 3.76Å; Y155-F197 HydrophobicContact CD1-CZ 4.3Å; Y155-F197 AromaticContact CE1-CE2 3.91Å; Y155-F197 HydrophobicContact CE1-CE2 3.91Å; R157-F197 HydrophobicContact CB-CD2 3.95Å; R157-F197 HydrophobicContact CB-CE2 3.56Å; R157-F197 HydrophobicContact CB-CZ 4.16Å; R157-F197 HydrophobicContact CG-CD2 4.44Å; F169-F197 HydrophobicContact CZ-CB 4.42Å; F169-F197 HydrophobicContact CZ-CD1 4.27Å; F169-F197 HydrophobicContact CZ-CG 4.41Å; K171-F197 HydrophobicContact CB-CD1 4.39Å; K171-F197 HydrophobicContact CB-CE1 3.98Å; K171-F197 HydrophobicContact CD-CD1 4.11Å; K171-F197 HydrophobicContact CD-CE1 4.19Å; K171-F197 HydrophobicContact CG-CD1 4.3Å; K171-F197 HydrophobicContact CG-CE1 3.89Å; L173-F197 HydrophobicContact CB-CE1 4.46Å; L173-F197 HydrophobicContact CB-CZ 4.32Å; A193-F197 HydrophobicContact CB-CE2 4.1Å; A193-F197 HydrophobicContact CB-CZ 4.37Å; A193-F197 WeakPolarHBondContact O-CD2 3.41Å; A193-F197 VanDerWaalsContact O-CG 3.27Å; A193-F197 WeakPolarHBondContact O-CG 3.28Å; A193-F197 PolarHBondContact O-N 3.37Å; A193-F197 VanDerWaalsContact O-N 3.09Å; P194-F197 PolarHBondContact O-N 2.89Å; E195-F197 VanDerWaalsContact C-N 3.31Å; E195-F197 PolarHBondContact O-N 2.87Å
198	E	91.8	Very high	94.5	Very high	145 Å²	145	48.8 Å²	48.8	68%	0.678	25%	0.248	S	C	*	.	H	α-helix	trans	-92.4	-35.2	174.5	-47.4	-55.2	138.4	0	0	112.8	R157 E195 Y196	R157-E198 IonicContact NH1-OE1 3.89Å; R157-E198 PolarHBondContact NH1-OE1 3.39Å; E195-E198 PolarHBondContact O-N 3.45Å; Y196-E198 PolarHBondContact O-N 3.42Å
199	K	90.9	Very high	94.4	Very high	114 Å²	114	50.8 Å²	50.8	50%	0.496	26%	0.258	S	S	.	.	H	α-helix	trans	-104	-9.6	-170.1	-65.5	172.7	174.8	168.9	0	115.2	E195 Y196 Y203	E195-K199 VanDerWaalsContact O-CB 3.29Å; E195-K199 WeakPolarHBondContact O-CB 3.39Å; E195-K199 PolarHBondContact O-N 3.02Å; E195-K199 VanDerWaalsContact OE2-CE 3.25Å; E195-K199 WeakPolarHBondContact OE2-CE 3.48Å; E195-K199 IonicContact OE2-NZ 3.72Å; E195-K199 PolarHBondContact OE2-NZ 3.39Å; Y196-K199 PolarHBondContact O-N 3.45Å; K199-Y203 HydrophobicContact CB-CD2 4.47Å; K199-Y203 HydrophobicContact CB-CG 4.19Å; K199-Y203 HydrophobicContact CD-CD2 3.75Å; K199-Y203 HydrophobicContact CD-CE2 4.23Å; K199-Y203 HydrophobicContact CD-CG 4.25Å
200	S	91.8	Very high	94.4	Very high	67 Å²	67	52.2 Å²	52.2	47%	0.469	27%	0.266	S	S	.	.			trans	59.7	-159.5	177.6	79	0	0	0	0	115.2	Y196 P202 Y203	Y196-S200 VanDerWaalsContact CD2-O 3.31Å; Y196-S200 WeakPolarHBondContact CD2-O 3.39Å; Y196-S200 VanDerWaalsContact CE2-C 3.45Å; Y196-S200 WeakPolarHBondContact O-CA 3.43Å; Y196-S200 PolarHBondContact O-N 2.88Å; S200-P202 VanDerWaalsContact C-CD 3.48Å; S200-Y203 PolarHBondContact O-N 3.11Å
201	E	92.6	Very high	94.5	Very high	104 Å²	104	46.2 Å²	46.2	49%	0.486	24%	0.24	S	C	.	.	H	α-helix	trans	-55.6	-39.4	-165.9	-70.9	179.8	-126.9	0	0	116.5	V80 Y203 L204 E205	V80-E201 HydrophobicContact CG1-CG 4.42Å; V80-E201 HydrophobicContact CG2-CG 3.95Å; E201-Y203 PolarHBondContact O-N 2.68Å; E201-Y203 VanDerWaalsContact O-N 3.16Å; E201-L204 WeakPolarHBondContact O-CB 3.28Å; E201-L204 PolarHBondContact O-N 2.94Å; E201-E205 PolarHBondContact O-N 2.72Å
202	P	93.9	Very high	94.5	Very high	91 Å²	91	44.7 Å²	44.7	59%	0.591	23%	0.234	S	C	*	.	H	α-helix	trans	-59.2	-31	179.2	-26	36	0	0	0	113.5	S200 A206	S200-P202 VanDerWaalsContact C-CD 3.48Å; P202-A206 WeakPolarHBondContact O-CB 3.36Å; P202-A206 PolarHBondContact O-N 2.96Å
203	Y	94.6	Very high	94.4	Very high	37 Å²	37	53.5 Å²	53.5	15%	0.145	27%	0.267	C	S	.	.	H	α-helix	trans	-73.5	-36.5	175.3	-174.7	-92	0	0	0	112	I192 E195 K199 S200 E201 A206 A207 M228	I192-Y203 HydrophobicContact CG2-CE1 4.29Å; E195-Y203 HydrophobicContact CB-CD1 4Å; E195-Y203 HydrophobicContact CB-CE1 3.35Å; E195-Y203 HydrophobicContact CB-CE2 3.96Å; E195-Y203 WeakPolarHBondContact CB-OH 3.45Å; E195-Y203 HydrophobicContact CG-CE1 4.39Å; K199-Y203 HydrophobicContact CB-CD2 4.47Å; K199-Y203 HydrophobicContact CB-CG 4.19Å; K199-Y203 HydrophobicContact CD-CD2 3.75Å; K199-Y203 HydrophobicContact CD-CE2 4.23Å; K199-Y203 HydrophobicContact CD-CG 4.25Å; S200-Y203 PolarHBondContact O-N 3.11Å; E201-Y203 PolarHBondContact O-N 2.68Å; E201-Y203 VanDerWaalsContact O-N 3.16Å; Y203-A206 PolarHBondContact O-N 3.01Å; Y203-A207 WeakPolarHBondContact O-CB 3.42Å; Y203-A207 PolarHBondContact O-N 3.45Å; Y203-M228 HydrophobicContact CD2-SD 4.07Å; Y203-M228 HydrophobicContact CE1-CG 4.27Å; Y203-M228 HydrophobicContact CE1-SD 4.02Å; Y203-M228 HydrophobicContact CE2-CG 4.27Å; Y203-M228 HydrophobicContact CE2-SD 3.51Å; Y203-M228 VanDerWaalsContact CE2-SD 3.51Å; Y203-M228 WeakPolarHBondContact OH-CB 3.39Å; Y203-M228 VanDerWaalsContact OH-CG 3.31Å; Y203-M228 WeakPolarHBondContact OH-CG 3.49Å
204	L	95	Very high	94.3	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-68	-40.1	174.1	176.2	59.6	0	0	0	111.7	V65 V67 L173 I192 Y196 E201 A207 C208	V65-L204 HydrophobicContact CB-CD1 4.28Å; V65-L204 HydrophobicContact CG1-CD1 3.87Å; V65-L204 HydrophobicContact CG1-CD2 4.31Å; V65-L204 HydrophobicContact CG2-CD1 4.4Å; V67-L204 HydrophobicContact CG2-CD2 3.95Å; L173-L204 HydrophobicContact CD1-CD1 4.32Å; L173-L204 HydrophobicContact CD1-CD2 4.31Å; I192-L204 HydrophobicContact CG2-CD1 4.32Å; Y196-L204 HydrophobicContact CD2-CB 3.67Å; Y196-L204 HydrophobicContact CD2-CD2 4.48Å; Y196-L204 HydrophobicContact CE2-CB 3.97Å; Y196-L204 HydrophobicContact CE2-CD2 4.22Å; E201-L204 WeakPolarHBondContact O-CB 3.28Å; E201-L204 PolarHBondContact O-N 2.94Å; L204-A207 PolarHBondContact O-N 3.45Å; L204-C208 WeakPolarHBondContact O-CB 3.41Å; L204-C208 PolarHBondContact O-N 2.89Å; L204-C208 PolarHBondContact O-SG 3.38Å
205	E	94.4	Very high	94.3	Very high	86 Å²	86	55.2 Å²	55.2	40%	0.402	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-48.6	172.6	170.6	146.9	-119.5	0	0	111	Y82 E201 A207 C208 N209	Y82-E205 HydrophobicContact CE2-CB 3.93Å; Y82-E205 HydrophobicContact CE2-CG 4.14Å; Y82-E205 WeakPolarHBondContact OH-CG 3.3Å; Y82-E205 PolarHBondContact OH-OE1 1.95Å; E201-E205 PolarHBondContact O-N 2.72Å; E205-A207 VanDerWaalsContact C-N 3.35Å; E205-A207 PolarHBondContact O-N 2.69Å; E205-C208 PolarHBondContact O-N 3.49Å; E205-N209 VanDerWaalsContact CG-ND2 3.35Å; E205-N209 WeakPolarHBondContact CG-ND2 3.44Å; E205-N209 PolarHBondContact O-N 2.62Å; E205-N209 PolarHBondContact O-ND2 3.37Å
206	A	95.5	Very high	94.1	Very high	41 Å²	41	53.5 Å²	53.5	34%	0.339	28%	0.275	S	S	.	.	H	α-helix	trans	-57.6	-46.3	175.8	0	0	0	0	0	111.9	P202 Y203 C208 N209 D210 M228	P202-A206 WeakPolarHBondContact O-CB 3.36Å; P202-A206 PolarHBondContact O-N 2.96Å; Y203-A206 PolarHBondContact O-N 3.01Å; A206-C208 VanDerWaalsContact C-N 3.31Å; A206-C208 PolarHBondContact O-N 3.28Å; A206-N209 PolarHBondContact O-N 3.03Å; A206-D210 PolarHBondContact O-N 3.3Å; A206-M228 VanDerWaalsContact C-CE 3.49Å; A206-M228 HydrophobicContact CB-CE 3.87Å; A206-M228 HydrophobicContact CB-SD 4.43Å
207	A	96	Very high	93.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.1	-36.2	176.6	0	0	0	0	0	113.1	I192 Y203 L204 E205 V211 M228	I192-A207 HydrophobicContact CD1-CB 4.14Å; I192-A207 HydrophobicContact CG1-CB 4.13Å; I192-A207 HydrophobicContact CG2-CB 4.04Å; Y203-A207 WeakPolarHBondContact O-CB 3.42Å; Y203-A207 PolarHBondContact O-N 3.45Å; L204-A207 PolarHBondContact O-N 3.45Å; E205-A207 VanDerWaalsContact C-N 3.35Å; E205-A207 PolarHBondContact O-N 2.69Å; A207-V211 VanDerWaalsContact O-CG2 3.31Å; A207-V211 WeakPolarHBondContact O-CG2 3.3Å; A207-V211 PolarHBondContact O-N 2.92Å; A207-V211 VanDerWaalsContact O-N 3.17Å; A207-M228 HydrophobicContact CB-CE 4.28Å; A207-M228 HydrophobicContact CB-CG 4.12Å; A207-M228 HydrophobicContact CB-SD 3.9Å
208	C	95.8	Very high	93.6	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-75.4	-34.1	177.3	-64.8	0	0	0	0	112.6	W55 F58 Y82 L204 E205 A206 D210 V211 D212	W55-C208 HydrophobicContact CZ3-CB 4.21Å; F58-C208 HydrophobicContact CD2-CB 4.29Å; F58-C208 HydrophobicContact CE2-CB 4.03Å; Y82-C208 HydrophobicContact CD1-CB 3.43Å; Y82-C208 VanDerWaalsContact CD1-CB 3.43Å; Y82-C208 WeakPolarHBondContact CD1-SG 3.43Å; Y82-C208 HydrophobicContact CE1-CB 3.32Å; L204-C208 WeakPolarHBondContact O-CB 3.41Å; L204-C208 PolarHBondContact O-N 2.89Å; L204-C208 PolarHBondContact O-SG 3.38Å; E205-C208 PolarHBondContact O-N 3.49Å; A206-C208 VanDerWaalsContact C-N 3.31Å; A206-C208 PolarHBondContact O-N 3.28Å; C208-D210 VanDerWaalsContact C-N 3.32Å; C208-V211 PolarHBondContact O-N 2.96Å; C208-D212 PolarHBondContact O-N 2.88Å
209	N	95.1	Very high	93.5	Very high	44 Å²	44	47.3 Å²	47.3	24%	0.235	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-33.5	172.4	-73.1	-74.8	0	0	0	112	W55 E205 A206 D212 R213	W55-N209 WeakPolarHBondContact CH2-OD1 3.13Å; E205-N209 VanDerWaalsContact CG-ND2 3.35Å; E205-N209 WeakPolarHBondContact CG-ND2 3.44Å; E205-N209 PolarHBondContact O-N 2.62Å; E205-N209 PolarHBondContact O-ND2 3.37Å; A206-N209 PolarHBondContact O-N 3.03Å; N209-D212 PolarHBondContact O-N 3.3Å; N209-R213 WeakPolarHBondContact O-CD 3.47Å; N209-R213 WeakPolarHBondContact O-CG 3.25Å; N209-R213 PolarHBondContact O-N 2.98Å
210	D	95.9	Very high	93.4	Very high	29 Å²	29	43.1 Å²	43.1	16%	0.155	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-42.3	169.6	-85.8	-4.3	0	0	0	111.6	A206 C208 D212 R213 W214 I227 M228	A206-D210 PolarHBondContact O-N 3.3Å; C208-D210 VanDerWaalsContact C-N 3.32Å; D210-D212 VanDerWaalsContact C-N 3.33Å; D210-D212 PolarHBondContact O-N 3.14Å; D210-R213 PolarHBondContact O-N 2.97Å; D210-R213 IonicContact OD1-NH1 2.69Å; D210-W214 PolarHBondContact O-NE1 2.83Å; D210-I227 WeakPolarHBondContact OD2-CA 3.37Å; D210-M228 WeakPolarHBondContact OD2-CE 3.46Å; D210-M228 PolarHBondContact OD2-N 2.92Å
211	V	96	Very high	93.1	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-34	175.4	173.4	0	0	0	0	112.3	F58 L62 A207 C208 R213 W214 I227	F58-V211 HydrophobicContact CD2-CB 4.08Å; F58-V211 HydrophobicContact CD2-CG1 3.66Å; F58-V211 HydrophobicContact CE2-CG1 4.24Å; F58-V211 HydrophobicContact CG-CG1 4.35Å; L62-V211 HydrophobicContact CD1-CG1 4.31Å; A207-V211 VanDerWaalsContact O-CG2 3.31Å; A207-V211 WeakPolarHBondContact O-CG2 3.3Å; A207-V211 PolarHBondContact O-N 2.92Å; A207-V211 VanDerWaalsContact O-N 3.17Å; C208-V211 PolarHBondContact O-N 2.96Å; V211-R213 PolarHBondContact O-N 2.97Å; V211-W214 HydrophobicContact CB-CD2 4.35Å; V211-W214 HydrophobicContact CB-CE3 4.42Å; V211-W214 HydrophobicContact CG1-CD2 4.28Å; V211-W214 HydrophobicContact CG1-CE3 3.92Å; V211-W214 HydrophobicContact CG1-CZ3 4.07Å; V211-W214 HydrophobicContact CG2-CD2 4.33Å; V211-W214 HydrophobicContact CG2-CE3 4.33Å; V211-W214 HydrophobicContact CG2-CH2 3.72Å; V211-W214 HydrophobicContact CG2-CZ2 3.7Å; V211-W214 HydrophobicContact CG2-CZ3 4.02Å; V211-W214 VanDerWaalsContact O-CB 3.3Å; V211-W214 WeakPolarHBondContact O-CB 3.34Å; V211-W214 PolarHBondContact O-N 2.95Å; V211-W214 VanDerWaalsContact O-N 3.15Å; V211-I227 HydrophobicContact CG2-CD1 4.42Å
212	D	94.8	Very high	93	Very high	33 Å²	33	44.2 Å²	44.2	18%	0.176	24%	0.24	C	C	.	.	H	α-helix	trans	-68.7	-21.3	176.7	-159.5	33.8	0	0	0	113.2	W55 G57 F58 C208 N209 D210 W214	W55-D212 VanDerWaalsContact C-OD1 3.26Å; W55-D212 WeakPolarHBondContact CA-OD1 3.49Å; W55-D212 WeakPolarHBondContact CA-OD2 3.47Å; W55-D212 HydrophobicContact CE3-CB 3.87Å; W55-D212 HydrophobicContact CZ3-CB 3.89Å; W55-D212 PolarHBondContact N-OD1 2.99Å; W55-D212 PolarHBondContact N-OD2 3.01Å; G57-D212 WeakPolarHBondContact CA-OD1 3.46Å; G57-D212 PolarHBondContact N-OD1 3.14Å; G57-D212 VanDerWaalsContact N-OD1 3.08Å; F58-D212 HydrophobicContact CB-CB 4.08Å; F58-D212 PolarHBondContact N-OD1 3.12Å; C208-D212 PolarHBondContact O-N 2.88Å; N209-D212 PolarHBondContact O-N 3.3Å; D210-D212 VanDerWaalsContact C-N 3.33Å; D210-D212 PolarHBondContact O-N 3.14Å; D212-W214 VanDerWaalsContact C-N 3.31Å
213	R	94.2	Very high	92.9	Very high	187 Å²	187	40.4 Å²	40.4	71%	0.706	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	0.3	174.5	-65.7	162.8	172.8	168.4	-5.6	113.2	N209 D210 V211	N209-R213 WeakPolarHBondContact O-CD 3.47Å; N209-R213 WeakPolarHBondContact O-CG 3.25Å; N209-R213 PolarHBondContact O-N 2.98Å; D210-R213 PolarHBondContact O-N 2.97Å; D210-R213 IonicContact OD1-NH1 2.69Å; V211-R213 PolarHBondContact O-N 2.97Å
214	W	94.6	Very high	92.9	Very high	9 Å²	9	43.6 Å²	43.6	3%	0.034	23%	0.231	C	C	.	.	S	Bend	trans	-73.4	139.2	-179.7	-71.8	1.1	0	0	0	111.9	W61 F184 V188 D210 V211 D212 L225 P226 I227 M232	W61-W214 HydrophobicContact CB-CE3 4.37Å; W61-W214 AromaticContact CD1-CE3 3.84Å; W61-W214 AromaticContact CD2-CE3 3.79Å; W61-W214 HydrophobicContact CD2-CE3 3.79Å; W61-W214 HydrophobicContact CD2-CZ3 4.23Å; W61-W214 AromaticContact CE2-CE3 3.89Å; W61-W214 HydrophobicContact CE3-CE3 4.38Å; W61-W214 HydrophobicContact CE3-CZ3 4.42Å; W61-W214 AromaticContact CG-CE3 3.77Å; W61-W214 HydrophobicContact CG-CE3 3.77Å; W61-W214 HydrophobicContact CG-CZ3 4.3Å; W61-W214 AromaticContact NE1-CE3 3.93Å; F184-W214 HydrophobicContact CE1-CH2 4.27Å; F184-W214 AromaticContact CE1-CZ3 3.83Å; F184-W214 HydrophobicContact CE1-CZ3 3.83Å; F184-W214 HydrophobicContact CZ-CE3 4.3Å; F184-W214 AromaticContact CZ-CH2 3.65Å; F184-W214 HydrophobicContact CZ-CH2 3.65Å; F184-W214 AromaticContact CZ-CZ3 3.47Å; F184-W214 HydrophobicContact CZ-CZ3 3.47Å; F184-W214 VanDerWaalsContact CZ-CZ3 3.47Å; V188-W214 HydrophobicContact CG1-CH2 4.48Å; V188-W214 HydrophobicContact CG2-CH2 3.99Å; D210-W214 PolarHBondContact O-NE1 2.83Å; V211-W214 HydrophobicContact CB-CD2 4.35Å; V211-W214 HydrophobicContact CB-CE3 4.42Å; V211-W214 HydrophobicContact CG1-CD2 4.28Å; V211-W214 HydrophobicContact CG1-CE3 3.92Å; V211-W214 HydrophobicContact CG1-CZ3 4.07Å; V211-W214 HydrophobicContact CG2-CD2 4.33Å; V211-W214 HydrophobicContact CG2-CE3 4.33Å; V211-W214 HydrophobicContact CG2-CH2 3.72Å; V211-W214 HydrophobicContact CG2-CZ2 3.7Å; V211-W214 HydrophobicContact CG2-CZ3 4.02Å; V211-W214 VanDerWaalsContact O-CB 3.3Å; V211-W214 WeakPolarHBondContact O-CB 3.34Å; V211-W214 PolarHBondContact O-N 2.95Å; V211-W214 VanDerWaalsContact O-N 3.15Å; D212-W214 VanDerWaalsContact C-N 3.31Å; W214-L225 HydrophobicContact CB-CD2 3.96Å; W214-L225 HydrophobicContact CD2-CB 4.07Å; W214-L225 HydrophobicContact CD2-CD1 4.36Å; W214-L225 HydrophobicContact CD2-CD2 4.11Å; W214-L225 HydrophobicContact CD2-CG 4.41Å; W214-L225 HydrophobicContact CE3-CD1 4.26Å; W214-L225 HydrophobicContact CG-CB 4.3Å; W214-L225 HydrophobicContact CG-CD2 3.84Å; W214-L225 HydrophobicContact CZ2-CB 4.2Å; W214-P226 PolarHBondContact NE1-O 2.82Å; W214-I227 HydrophobicContact CZ2-CB 4.21Å; W214-I227 HydrophobicContact CZ2-CD1 4.1Å; W214-M232 HydrophobicContact CH2-CE 3.82Å; W214-M232 HydrophobicContact CZ2-CE 3.59Å
215	P	92.6	Very high	92.9	Very high	58 Å²	58	43.5 Å²	43.5	38%	0.377	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-59.8	150.9	166.8	28.2	-36	0	0	0	110.4	W61 L223 L225	W61-P215 WeakPolarHBondContact CZ2-O 3.34Å; W61-P215 PolarHBondContact NE1-O 3.14Å; P215-L223 HydrophobicContact CG-CB 4.43Å; P215-L223 HydrophobicContact CG-CD2 4.22Å; P215-L225 HydrophobicContact CG-CD2 3.9Å
216	A	90.4	Very high	92.9	Very high	39 Å²	39	42.1 Å²	42.1	32%	0.322	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-54.4	150.5	175.9	0	0	0	0	0	112.1	F135 V218	F135-A216 HydrophobicContact CE2-CB 4.29Å; A216-V218 HydrophobicContact CB-CG2 4.25Å; A216-V218 PolarHBondContact O-N 3.01Å
217	P	91.1	Very high	92.9	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.032	21%	0.213	C	C	.	.			trans	-75	61	-176	33	-39.1	0	0	0	113	A60 W61 L132 L179 Y181 I236	A60-P217 WeakPolarHBondContact O-CG 3.06Å; W61-P217 HydrophobicContact CD2-CB 4.2Å; W61-P217 HydrophobicContact CE3-CB 4.18Å; W61-P217 HydrophobicContact CH2-CB 3.8Å; W61-P217 HydrophobicContact CZ2-CB 3.78Å; W61-P217 HydrophobicContact CZ3-CB 3.99Å; L132-P217 HydrophobicContact CD2-CG 4.02Å; L179-P217 HydrophobicContact CD1-CB 4.23Å; L179-P217 HydrophobicContact CD1-CG 4.02Å; Y181-P217 HydrophobicContact CE2-CB 4.25Å; P217-I236 VanDerWaalsContact CA-CD1 3.45Å; P217-I236 HydrophobicContact CB-CD1 3.5Å; P217-I236 WeakPolarHBondContact O-CD1 3.19Å
218	V	89.1	Confident	92.6	Very high	31 Å²	31	42.7 Å²	42.7	19%	0.188	23%	0.225	C	C	.	.			trans	-74	126.6	-176.2	-174.4	0	0	0	0	111.2	F135 A216 K221	F135-V218 HydrophobicContact CD1-CG1 4.16Å; F135-V218 HydrophobicContact CD1-CG2 4.28Å; F135-V218 HydrophobicContact CE1-CB 4.46Å; F135-V218 HydrophobicContact CE1-CG1 4.1Å; F135-V218 HydrophobicContact CE1-CG2 3.79Å; F135-V218 HydrophobicContact CE2-CG2 4.27Å; F135-V218 HydrophobicContact CZ-CG2 3.79Å; A216-V218 HydrophobicContact CB-CG2 4.25Å; A216-V218 PolarHBondContact O-N 3.01Å; V218-K221 HydrophobicContact CB-CD 4.41Å; V218-K221 HydrophobicContact CG1-CD 4.12Å
219	P	90.1	Very high	92.2	Very high	14 Å²	14	45.9 Å²	45.9	9%	0.091	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	150.2	174.2	-26.3	35.6	0	0	0	113.7	F135 D138 L139 K221 I236 T238	F135-P219 HydrophobicContact CB-CG 4.44Å; D138-P219 HydrophobicContact CB-CB 4.35Å; D138-P219 HydrophobicContact CB-CG 4.43Å; L139-P219 HydrophobicContact CD2-CB 4.43Å; L139-P219 HydrophobicContact CD2-CG 3.74Å; L139-P219 HydrophobicContact CG-CG 3.82Å; P219-K221 PolarHBondContact O-N 3.01Å; P219-I236 HydrophobicContact CB-CG2 4.34Å; P219-I236 HydrophobicContact CG-CG2 4.36Å; P219-T238 HydrophobicContact CB-CG2 4.02Å
220	G	87.3	Confident	92	Very high	26 Å²	26	45.1 Å²	45.1	27%	0.268	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-24.3	170.6	0	0	0	0	0	115.8	R235 I236 T238	G220-R235 PolarHBondContact O-NE 2.9Å; G220-I236 PolarHBondContact N-O 3.09Å; G220-T238 VanDerWaalsContact N-CG2 3.3Å
221	K	86.9	Confident	91.9	Very high	132 Å²	132	45.8 Å²	45.8	57%	0.574	26%	0.26	S	S	*	.	S	Bend	trans	-84.6	145.4	176.4	-63.7	-177.3	-179.4	179.4	0	111.2	V218 P219 L223	V218-K221 HydrophobicContact CB-CD 4.41Å; V218-K221 HydrophobicContact CG1-CD 4.12Å; P219-K221 PolarHBondContact O-N 3.01Å; K221-L223 HydrophobicContact CB-CD2 4.21Å
222	T	90.1	Very high	91.8	Very high	61 Å²	61	45.9 Å²	45.9	37%	0.374	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123	165	-55.3	0	0	0	0	108.1	V234	T222-V234 CarbonylContact C-O 2.97Å
223	L	92.2	Very high	91.7	Very high	12 Å²	12	46.9 Å²	46.9	6%	0.063	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	142.4	-179.9	-52.7	178.5	0	0	0	109.2	W61 P215 K221 L225 K233 V234 I236	W61-L223 HydrophobicContact CH2-CD1 3.87Å; W61-L223 HydrophobicContact CZ2-CD1 3.8Å; P215-L223 HydrophobicContact CG-CB 4.43Å; P215-L223 HydrophobicContact CG-CD2 4.22Å; K221-L223 HydrophobicContact CB-CD2 4.21Å; L223-L225 HydrophobicContact CB-CD2 3.96Å; L223-L225 HydrophobicContact CB-CG 4.23Å; L223-K233 WeakPolarHBondContact O-CA 3.39Å; L223-V234 HydrophobicContact CB-CG1 4.27Å; L223-V234 PolarHBondContact N-O 3.48Å; L223-V234 PolarHBondContact O-N 3.46Å; L223-I236 HydrophobicContact CD1-CD1 3.86Å
224	H	93.5	Very high	91.6	Very high	104 Å²	104	38 Å²	38	48%	0.481	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	108.7	178.5	-71.5	-130.8	0	0	0	106.9	P226 V231	H224-P226 WeakPolarHBondContact O-CD 3.35Å; H224-V231 HydrophobicContact CB-CG1 4.15Å
225	L	95.1	Very high	91.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	95.4	-167.2	-54.1	-177.3	0	0	0	108.8	W61 F184 W214 P215 L223 M232 V234	W61-L225 HydrophobicContact CH2-CD1 3.66Å; W61-L225 HydrophobicContact CZ2-CD1 3.88Å; W61-L225 HydrophobicContact CZ2-CD2 4Å; W61-L225 HydrophobicContact CZ3-CD1 4.29Å; F184-L225 HydrophobicContact CE2-CD1 3.63Å; F184-L225 HydrophobicContact CZ-CD1 3.55Å; W214-L225 HydrophobicContact CB-CD2 3.96Å; W214-L225 HydrophobicContact CD2-CB 4.07Å; W214-L225 HydrophobicContact CD2-CD1 4.36Å; W214-L225 HydrophobicContact CD2-CD2 4.11Å; W214-L225 HydrophobicContact CD2-CG 4.41Å; W214-L225 HydrophobicContact CE3-CD1 4.26Å; W214-L225 HydrophobicContact CG-CB 4.3Å; W214-L225 HydrophobicContact CG-CD2 3.84Å; W214-L225 HydrophobicContact CZ2-CB 4.2Å; P215-L225 HydrophobicContact CG-CD2 3.9Å; L223-L225 HydrophobicContact CB-CD2 3.96Å; L223-L225 HydrophobicContact CB-CG 4.23Å; L225-M232 HydrophobicContact CB-CB 4.3Å; L225-M232 HydrophobicContact CB-CE 4.21Å; L225-M232 PolarHBondContact N-O 2.83Å; L225-M232 PolarHBondContact O-N 2.68Å; L225-V234 HydrophobicContact CD1-CG1 3.57Å; L225-V234 HydrophobicContact CG-CG1 4.16Å
226	P	94.7	Very high	91.3	Very high	56 Å²	56	36.6 Å²	36.6	36%	0.364	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	136.6	177.4	29.9	-34.4	0	0	0	110.4	W214 H224 V230	W214-P226 PolarHBondContact NE1-O 2.82Å; H224-P226 WeakPolarHBondContact O-CD 3.35Å; P226-V230 CarbonylContact C-O 3.55Å; P226-V230 WeakPolarHBondContact CA-O 3.5Å
227	I	94.4	Very high	91.3	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	122.8	173.5	-171.4	166	0	0	0	110.1	V188 I192 D210 V211 W214 G229 V230 M232	V188-I227 HydrophobicContact CG1-CD1 4Å; I192-I227 HydrophobicContact CD1-CD1 3.84Å; I192-I227 HydrophobicContact CG1-CD1 3.78Å; D210-I227 WeakPolarHBondContact OD2-CA 3.37Å; V211-I227 HydrophobicContact CG2-CD1 4.42Å; W214-I227 HydrophobicContact CZ2-CB 4.21Å; W214-I227 HydrophobicContact CZ2-CD1 4.1Å; I227-G229 PolarHBondContact O-N 2.88Å; I227-G229 VanDerWaalsContact O-N 3.07Å; I227-V230 PolarHBondContact N-O 3.05Å; I227-V230 PolarHBondContact O-N 3.29Å; I227-M232 HydrophobicContact CB-CE 4.36Å; I227-M232 HydrophobicContact CG2-CE 3.53Å; I227-M232 HydrophobicContact CG2-CG 4.38Å; I227-M232 HydrophobicContact CG2-SD 4.16Å
228	M	91	Very high	91.2	Very high	51 Å²	51	36 Å²	36	25%	0.251	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	38.7	170	-57.1	-67.9	86.1	0	0	114.1	Y203 A206 A207 D210	Y203-M228 HydrophobicContact CD2-SD 4.07Å; Y203-M228 HydrophobicContact CE1-CG 4.27Å; Y203-M228 HydrophobicContact CE1-SD 4.02Å; Y203-M228 HydrophobicContact CE2-CG 4.27Å; Y203-M228 HydrophobicContact CE2-SD 3.51Å; Y203-M228 VanDerWaalsContact CE2-SD 3.51Å; Y203-M228 WeakPolarHBondContact OH-CB 3.39Å; Y203-M228 VanDerWaalsContact OH-CG 3.31Å; Y203-M228 WeakPolarHBondContact OH-CG 3.49Å; A206-M228 VanDerWaalsContact C-CE 3.49Å; A206-M228 HydrophobicContact CB-CE 3.87Å; A206-M228 HydrophobicContact CB-SD 4.43Å; A207-M228 HydrophobicContact CB-CE 4.28Å; A207-M228 HydrophobicContact CB-CG 4.12Å; A207-M228 HydrophobicContact CB-SD 3.9Å; D210-M228 WeakPolarHBondContact OD2-CE 3.46Å; D210-M228 PolarHBondContact OD2-N 2.92Å
229	G	87.3	Confident	91	Very high	68 Å²	68	37.6 Å²	37.6	70%	0.701	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.9	-0.3	-179.6	0	0	0	0	0	115.9	I227	I227-G229 PolarHBondContact O-N 2.88Å; I227-G229 VanDerWaalsContact O-N 3.07Å
230	V	91.4	Very high	90.7	Very high	29 Å²	29	44.2 Å²	44.2	18%	0.176	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.9	178.4	178.2	0	0	0	0	110.5	P226 I227 I259 V261	P226-V230 CarbonylContact C-O 3.55Å; P226-V230 WeakPolarHBondContact CA-O 3.5Å; I227-V230 PolarHBondContact N-O 3.05Å; I227-V230 PolarHBondContact O-N 3.29Å; V230-I259 CarbonylContact C-O 3.59Å; V230-I259 WeakPolarHBondContact CA-O 3.39Å; V230-V261 HydrophobicContact CG1-CB 4.2Å; V230-V261 HydrophobicContact CG1-CG2 3.66Å
231	V	93	Very high	90.6	Very high	43 Å²	43	44.2 Å²	44.2	26%	0.261	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110.1	174.6	-176.3	0	0	0	0	110.5	H224 I259 S260 V261	H224-V231 HydrophobicContact CB-CG1 4.15Å; V231-I259 PolarHBondContact N-O 2.88Å; V231-S260 CarbonylContact O-C 3.6Å; V231-S260 VanDerWaalsContact O-CA 3.23Å; V231-S260 WeakPolarHBondContact O-CA 3.21Å; V231-S260 WeakPolarHBondContact O-CB 3.48Å; V231-V261 PolarHBondContact O-N 2.89Å
232	M	93	Very high	90.2	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.02	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	118.3	172.1	-64.5	177.8	-60.2	0	0	110.3	F184 T187 V188 W214 L225 I227 V261	F184-M232 HydrophobicContact CE2-CE 3.98Å; F184-M232 HydrophobicContact CE2-SD 4.33Å; F184-M232 HydrophobicContact CZ-CE 4.3Å; T187-M232 HydrophobicContact CG2-SD 4.3Å; V188-M232 HydrophobicContact CG2-CE 3.94Å; V188-M232 HydrophobicContact CG2-SD 4.19Å; W214-M232 HydrophobicContact CH2-CE 3.82Å; W214-M232 HydrophobicContact CZ2-CE 3.59Å; L225-M232 HydrophobicContact CB-CB 4.3Å; L225-M232 HydrophobicContact CB-CE 4.21Å; L225-M232 PolarHBondContact N-O 2.83Å; L225-M232 PolarHBondContact O-N 2.68Å; I227-M232 HydrophobicContact CB-CE 4.36Å; I227-M232 HydrophobicContact CG2-CE 3.53Å; I227-M232 HydrophobicContact CG2-CG 4.38Å; I227-M232 HydrophobicContact CG2-SD 4.16Å; M232-V261 CarbonylContact C-O 3.55Å; M232-V261 WeakPolarHBondContact CA-O 3.18Å; M232-V261 HydrophobicContact CG-CB 4.43Å
233	K	92.8	Very high	89.3	Confident	54 Å²	54	46.2 Å²	46.2	24%	0.235	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118	173.5	-65.3	166.3	180	162.3	0	108.5	L223 S260 V261 I262 L263	L223-K233 WeakPolarHBondContact O-CA 3.39Å; K233-S260 PolarHBondContact NZ-OG 2.78Å; K233-V261 PolarHBondContact N-O 2.82Å; K233-I262 HydrophobicContact CB-CG1 4.31Å; K233-I262 HydrophobicContact CB-CG2 4.45Å; K233-I262 HydrophobicContact CD-CD1 4.25Å; K233-I262 HydrophobicContact CD-CG1 4.2Å; K233-L263 PolarHBondContact O-N 3.06Å
234	V	92.3	Very high	87.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	140.4	-173.7	62.8	0	0	0	0	111.6	F184 T222 L223 L225 L263 V266	F184-V234 HydrophobicContact CE2-CG1 4.43Å; T222-V234 CarbonylContact C-O 2.97Å; L223-V234 HydrophobicContact CB-CG1 4.27Å; L223-V234 PolarHBondContact N-O 3.48Å; L223-V234 PolarHBondContact O-N 3.46Å; L225-V234 HydrophobicContact CD1-CG1 3.57Å; L225-V234 HydrophobicContact CG-CG1 4.16Å; V234-L263 HydrophobicContact CB-CB 4.23Å; V234-L263 HydrophobicContact CG2-CB 4.07Å; V234-L263 HydrophobicContact CG2-CD2 3.95Å; V234-V266 HydrophobicContact CG2-CG1 3.45Å; V234-V266 VanDerWaalsContact CG2-CG1 3.45Å
235	R	90.9	Very high	86.5	Confident	38 Å²	38	47.6 Å²	47.6	14%	0.143	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.3	171	-179.2	177	176.6	-82	5.4	110	G220 D241 Q247	G220-R235 PolarHBondContact O-NE 2.9Å; R235-D241 IonicContact CZ-OD1 3.8Å; R235-D241 IonicContact CZ-OD2 2.96Å; R235-D241 IonicContact NH1-OD1 3.2Å; R235-D241 IonicContact NH1-OD2 3.79Å; R235-D241 PolarHBondContact NH1-OD2 3.05Å; R235-D241 IonicContact NH2-OD1 3.08Å; R235-D241 PolarHBondContact NH2-OD1 2.78Å; R235-D241 IonicContact NH2-OD2 2.68Å; R235-D241 PolarHBondContact NH2-OD2 2.94Å; R235-Q247 VanDerWaalsContact CZ-OE1 3.23Å
236	I	91.3	Very high	85	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.302	C	S	.	.			trans	-80.8	124.6	172.3	-66.2	167.1	0	0	0	107.9	W61 L139 Y181 P217 P219 G220 L223 V266	W61-I236 HydrophobicContact CH2-CD1 4.1Å; L139-I236 HydrophobicContact CD2-CG2 3.61Å; Y181-I236 HydrophobicContact CE2-CD1 3.87Å; Y181-I236 HydrophobicContact CE2-CG1 4.2Å; P217-I236 VanDerWaalsContact CA-CD1 3.45Å; P217-I236 HydrophobicContact CB-CD1 3.5Å; P217-I236 WeakPolarHBondContact O-CD1 3.19Å; P219-I236 HydrophobicContact CB-CG2 4.34Å; P219-I236 HydrophobicContact CG-CG2 4.36Å; G220-I236 PolarHBondContact N-O 3.09Å; L223-I236 HydrophobicContact CD1-CD1 3.86Å; I236-V266 HydrophobicContact CG1-CG1 4.17Å
237	P	90	Very high	83.1	Confident	15 Å²	15	52.6 Å²	52.6	10%	0.097	31%	0.308	C	S	.	.			trans	-63.4	157.9	180	-23.7	34.1	0	0	0	113.7	P140 L143 D241	P140-P237 WeakPolarHBondContact CD-O 3.27Å; P140-P237 HydrophobicContact CG-CB 3.92Å; L143-P237 HydrophobicContact CD1-CB 4.46Å; L143-P237 HydrophobicContact CD1-CG 4.27Å; P237-D241 WeakPolarHBondContact CA-OD2 3.19Å; P237-D241 WeakPolarHBondContact CB-OD2 3.35Å
238	T	89.4	Confident	81.1	Confident	17 Å²	17	58.3 Å²	58.3	10%	0.104	34%	0.337	C	S	.	.			trans	-112.7	161.7	174.5	78.3	0	0	0	0	112.5	D138 P219 G220 H240 D241	D138-T238 CarbonylContact O-C 3.59Å; D138-T238 VanDerWaalsContact O-CA 3.27Å; D138-T238 WeakPolarHBondContact O-CA 3.32Å; P219-T238 HydrophobicContact CB-CG2 4.02Å; G220-T238 VanDerWaalsContact N-CG2 3.3Å; T238-H240 PolarHBondContact O-N 3.26Å; T238-H240 PolarHBondContact OG1-N 3.22Å; T238-D241 VanDerWaalsContact N-CG 3.32Å; T238-D241 PolarHBondContact N-OD2 2.92Å; T238-D241 WeakPolarHBondContact O-CB 3.12Å; T238-D241 PolarHBondContact O-N 2.92Å; T238-D241 VanDerWaalsContact OG1-CG 3.32Å; T238-D241 PolarHBondContact OG1-N 3.17Å; T238-D241 PolarHBondContact OG1-OD1 3.37Å
239	C	85.1	Confident	79.1	Confident	64 Å²	64	58 Å²	58	43%	0.432	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-10.8	167.7	63.4	0	0	0	0	113.9	D138	D138-C239 PolarHBondContact O-N 3.15Å; D138-C239 PolarHBondContact O-SG 3.41Å
240	H	83	Confident	77	Confident	152 Å²	152	63.8 Å²	63.8	70%	0.704	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-10.8	174.4	-56.3	-57.6	0	0	0	113	T238	T238-H240 PolarHBondContact O-N 3.26Å; T238-H240 PolarHBondContact OG1-N 3.22Å
241	D	85	Confident	74.8	Confident	27 Å²	27	66.7 Å²	66.7	14%	0.144	36%	0.361	C	S	.	.	S	Bend	trans	-66.4	140.2	174.8	-62.8	-6.2	0	0	0	109.7	R235 P237 T238 P243	R235-D241 IonicContact CZ-OD1 3.8Å; R235-D241 IonicContact CZ-OD2 2.96Å; R235-D241 IonicContact NH1-OD1 3.2Å; R235-D241 IonicContact NH1-OD2 3.79Å; R235-D241 PolarHBondContact NH1-OD2 3.05Å; R235-D241 IonicContact NH2-OD1 3.08Å; R235-D241 PolarHBondContact NH2-OD1 2.78Å; R235-D241 IonicContact NH2-OD2 2.68Å; R235-D241 PolarHBondContact NH2-OD2 2.94Å; P237-D241 WeakPolarHBondContact CA-OD2 3.19Å; P237-D241 WeakPolarHBondContact CB-OD2 3.35Å; T238-D241 VanDerWaalsContact N-CG 3.32Å; T238-D241 PolarHBondContact N-OD2 2.92Å; T238-D241 WeakPolarHBondContact O-CB 3.12Å; T238-D241 PolarHBondContact O-N 2.92Å; T238-D241 VanDerWaalsContact OG1-CG 3.32Å; T238-D241 PolarHBondContact OG1-N 3.17Å; T238-D241 PolarHBondContact OG1-OD1 3.37Å; D241-P243 WeakPolarHBondContact O-CD 3.48Å
242	K	78.9	Confident	72.2	Confident	159 Å²	159	70.4 Å²	70.4	69%	0.691	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-63.8	123	177.4	-73.4	177.4	-179.5	176.2	0	109.7	G244 T245	K242-G244 PolarHBondContact O-N 3.41Å; K242-T245 HydrophobicContact CB-CG2 4.44Å; K242-T245 WeakPolarHBondContact CB-OG1 3.48Å; K242-T245 PolarHBondContact O-N 3.34Å; K242-T245 VanDerWaalsContact O-N 3.15Å; K242-T245 PolarHBondContact O-OG1 3.21Å
243	P	70.6	Confident	69.7	Low	76 Å²	76	79.6 Å²	79.6	49%	0.494	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	136.9	179.8	-28.3	36.7	0	0	0	112.1	D241 T245 L441	D241-P243 WeakPolarHBondContact O-CD 3.48Å; P243-T245 PolarHBondContact O-N 3.42Å; P243-L441 HydrophobicContact CB-CD1 3.69Å; P243-L441 HydrophobicContact CB-CD2 3.87Å; P243-L441 HydrophobicContact CB-CG 4.4Å; P243-L441 WeakPolarHBondContact O-CD2 3.39Å
244	G	63.2	Low	67.3	Low	66 Å²	66	85.3 Å²	85.3	68%	0.68	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-6.4	-179.6	0	0	0	0	0	115.7	K242	K242-G244 PolarHBondContact O-N 3.41Å
245	T	64.8	Low	64.7	Low	79 Å²	79	89.7 Å²	89.7	49%	0.485	49%	0.49	S	S	.	.			trans	-100.2	105.1	168.4	63.6	0	0	0	0	110.6	K242 P243 Q247	K242-T245 HydrophobicContact CB-CG2 4.44Å; K242-T245 WeakPolarHBondContact CB-OG1 3.48Å; K242-T245 PolarHBondContact O-N 3.34Å; K242-T245 VanDerWaalsContact O-N 3.15Å; K242-T245 PolarHBondContact O-OG1 3.21Å; P243-T245 PolarHBondContact O-N 3.42Å; T245-Q247 PolarHBondContact O-N 3.42Å
246	T	62.3	Low	62.5	Low	57 Å²	57	93.4 Å²	93.4	35%	0.35	51%	0.513	S	S	.	.			trans	-62.8	116.1	159.7	-53.5	0	0	0	0	107.9	I248 P264 T265	T246-I248 HydrophobicContact CG2-CG1 4.14Å; T246-I248 PolarHBondContact O-N 3.47Å; T246-P264 HydrophobicContact CG2-CB 4.44Å; T246-P264 VanDerWaalsContact CG2-O 3.23Å; T246-P264 WeakPolarHBondContact CG2-O 3.29Å; T246-T265 HydrophobicContact CG2-CG2 3.68Å
247	Q	54.7	Low	60.8	Low	103 Å²	103	99.2 Å²	99.2	48%	0.481	55%	0.548	S	S	.	.			trans	-70.1	81	162.1	-72	-174.2	1.1	0	0	107.7	R235 T245 V249	R235-Q247 VanDerWaalsContact CZ-OE1 3.23Å; T245-Q247 PolarHBondContact O-N 3.42Å; Q247-V249 PolarHBondContact O-N 3.15Å
248	I	54	Low	59.2	Low	123 Å²	123	105.3 Å²	105.3	63%	0.631	58%	0.58	S	S	*	*			trans	-54	123.1	166	-59	174.7	0	0	0	105.5	T246 Q250	T246-I248 HydrophobicContact CG2-CG1 4.14Å; T246-I248 PolarHBondContact O-N 3.47Å; I248-Q250 PolarHBondContact O-N 3.17Å
249	V	49.1	Very low	58.3	Low	43 Å²	43	109.2 Å²	109.2	26%	0.261	60%	0.599	S	S	.	*			trans	-51.8	116.6	177.3	-178.5	0	0	0	0	107.1	Q247 L251	Q247-V249 PolarHBondContact O-N 3.15Å; V249-L251 HydrophobicContact CB-CG 4.44Å; V249-L251 HydrophobicContact CG1-CD2 4.5Å; V249-L251 HydrophobicContact CG1-CG 4.2Å; V249-L251 WeakPolarHBondContact O-CG 3.47Å; V249-L251 PolarHBondContact O-N 2.88Å
250	Q	41.3	Very low	58.1	Low	191 Å²	191	107.4 Å²	107.4	89%	0.893	59%	0.588	S	S	*	*			trans	-70.3	85.7	179.8	-79.8	-172.2	-39.5	0	0	108.6	I248 T252	I248-Q250 PolarHBondContact O-N 3.17Å; Q250-T252 PolarHBondContact O-N 2.98Å; Q250-T252 VanDerWaalsContact O-N 3.1Å
251	L	45.3	Very low	58.2	Low	89 Å²	89	102.5 Å²	102.5	47%	0.466	57%	0.568	S	S	.	*			trans	-74.6	101.6	179.4	-71.8	144	0	0	0	108.6	V249 Q253 I262	V249-L251 HydrophobicContact CB-CG 4.44Å; V249-L251 HydrophobicContact CG1-CD2 4.5Å; V249-L251 HydrophobicContact CG1-CG 4.2Å; V249-L251 WeakPolarHBondContact O-CG 3.47Å; V249-L251 PolarHBondContact O-N 2.88Å; L251-Q253 PolarHBondContact O-N 3.16Å; L251-I262 HydrophobicContact CD1-CD1 3.42Å; L251-I262 VanDerWaalsContact CD1-CD1 3.42Å; L251-I262 HydrophobicContact CD1-CG2 4.27Å; L251-I262 HydrophobicContact CD2-CD1 3.56Å; L251-I262 HydrophobicContact CG-CD1 4.11Å
252	T	39.5	Very low	58.2	Low	121 Å²	121	104.3 Å²	104.3	74%	0.742	58%	0.577	S	S	*	*			trans	-40.6	122.7	141.6	-1.3	0	0	0	0	108.1	Q250 Q254	Q250-T252 PolarHBondContact O-N 2.98Å; Q250-T252 VanDerWaalsContact O-N 3.1Å; T252-Q254 PolarHBondContact O-N 2.85Å
253	Q	41.1	Very low	58.5	Low	197 Å²	197	97.3 Å²	97.3	92%	0.921	55%	0.547	S	S	*	.			trans	-70.8	93.1	178.9	-70.5	175.4	-22.2	0	0	109.3	L251	L251-Q253 PolarHBondContact O-N 3.16Å
254	Q	40.9	Very low	59	Low	174 Å²	174	97.1 Å²	97.1	81%	0.813	55%	0.546	S	S	*	.			trans	-116.8	126.7	162.7	-74	-175.5	-34.8	0	0	108.3	T252 D256	T252-Q254 PolarHBondContact O-N 2.85Å; Q254-D256 PolarHBondContact O-N 2.93Å
255	A	39.2	Very low	60.1	Low	92 Å²	92	94.4 Å²	94.4	76%	0.76	52%	0.516	S	S	*	.			trans	-91.7	92	-161.4	0	0	0	0	0	112.2
256	D	44.3	Very low	61.3	Low	117 Å²	117	90.7 Å²	90.7	63%	0.626	49%	0.494	S	S	*	.			trans	-131.6	63.2	164	-84.1	-53	0	0	0	109.5	Q254 N258	Q254-D256 PolarHBondContact O-N 2.93Å; D256-N258 PolarHBondContact O-N 2.77Å
257	T	55.1	Low	62.4	Low	121 Å²	121	89 Å²	89	74%	0.742	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-15	-169.6	49.4	0	0	0	0	114.8
258	N	55.7	Low	63.7	Low	144 Å²	144	86.1 Å²	86.1	77%	0.77	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-14.9	-169.8	-61.6	8	0	0	0	113.3	D256	D256-N258 PolarHBondContact O-N 2.77Å
259	I	72.4	Confident	65.3	Low	98 Å²	98	81 Å²	81	50%	0.503	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-15.8	-171.6	-60.1	175.5	0	0	0	112.2	V230 V231	V230-I259 CarbonylContact C-O 3.59Å; V230-I259 WeakPolarHBondContact CA-O 3.39Å; V231-I259 PolarHBondContact N-O 2.88Å
260	S	79.9	Confident	67.2	Low	27 Å²	27	80.9 Å²	80.9	19%	0.189	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.4	179.5	68.8	0	0	0	0	114.8	V231 K233	V231-S260 CarbonylContact O-C 3.6Å; V231-S260 VanDerWaalsContact O-CA 3.23Å; V231-S260 WeakPolarHBondContact O-CA 3.21Å; V231-S260 WeakPolarHBondContact O-CB 3.48Å; K233-S260 PolarHBondContact NZ-OG 2.78Å
261	V	84.6	Confident	69.6	Low	49 Å²	49	72 Å²	72	30%	0.297	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137	176.1	170.4	0	0	0	0	108.4	T187 V230 V231 M232 K233	T187-V261 HydrophobicContact CG2-CG1 4.43Å; V230-V261 HydrophobicContact CG1-CB 4.2Å; V230-V261 HydrophobicContact CG1-CG2 3.66Å; V231-V261 PolarHBondContact O-N 2.89Å; M232-V261 CarbonylContact C-O 3.55Å; M232-V261 WeakPolarHBondContact CA-O 3.18Å; M232-V261 HydrophobicContact CG-CB 4.43Å; K233-V261 PolarHBondContact N-O 2.82Å
262	I	85.7	Confident	71.8	Confident	64 Å²	64	68.4 Å²	68.4	33%	0.328	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116.7	-173.8	-48.9	-171.6	0	0	0	109.2	K233 L251	K233-I262 HydrophobicContact CB-CG1 4.31Å; K233-I262 HydrophobicContact CB-CG2 4.45Å; K233-I262 HydrophobicContact CD-CD1 4.25Å; K233-I262 HydrophobicContact CD-CG1 4.2Å; L251-I262 HydrophobicContact CD1-CD1 3.42Å; L251-I262 VanDerWaalsContact CD1-CD1 3.42Å; L251-I262 HydrophobicContact CD1-CG2 4.27Å; L251-I262 HydrophobicContact CD2-CD1 3.56Å; L251-I262 HydrophobicContact CG-CD1 4.11Å
263	L	85.8	Confident	74.3	Confident	12 Å²	12	66.9 Å²	66.9	6%	0.063	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	114.2	-175.7	-160.7	79.8	0	0	0	110.1	F184 T187 K233 V234 T265	F184-L263 HydrophobicContact CB-CD2 3.79Å; F184-L263 HydrophobicContact CD2-CD2 3.99Å; F184-L263 HydrophobicContact CG-CD2 4.41Å; T187-L263 HydrophobicContact CG2-CD1 4.34Å; T187-L263 WeakPolarHBondContact OG1-CD1 3.42Å; K233-L263 PolarHBondContact O-N 3.06Å; V234-L263 HydrophobicContact CB-CB 4.23Å; V234-L263 HydrophobicContact CG2-CB 4.07Å; V234-L263 HydrophobicContact CG2-CD2 3.95Å; L263-T265 WeakPolarHBondContact CD2-O 3.47Å; L263-T265 WeakPolarHBondContact CG-O 3.44Å; L263-T265 PolarHBondContact O-N 2.66Å
264	P	81.2	Confident	76.7	Confident	73 Å²	73	57.8 Å²	57.8	47%	0.474	32%	0.319	S	S	.	.	S	Bend	trans	-70.9	-32.5	-174.5	27.7	-34.3	0	0	0	112.8	T246	T246-P264 HydrophobicContact CG2-CB 4.44Å; T246-P264 VanDerWaalsContact CG2-O 3.23Å; T246-P264 WeakPolarHBondContact CG2-O 3.29Å
265	T	85.2	Confident	79	Confident	8 Å²	8	49.6 Å²	49.6	5%	0.049	28%	0.28	C	S	.	.			trans	-146.4	146.3	176.4	56.3	0	0	0	0	111.2	H183 T246 L263 E268	H183-T265 PolarHBondContact CD2-O 3.35Å; H183-T265 VanDerWaalsContact CD2-O 3.24Å; T246-T265 HydrophobicContact CG2-CG2 3.68Å; L263-T265 WeakPolarHBondContact CD2-O 3.47Å; L263-T265 WeakPolarHBondContact CG-O 3.44Å; L263-T265 PolarHBondContact O-N 2.66Å; T265-E268 HydrophobicContact CG2-CG 4.05Å; T265-E268 VanDerWaalsContact CG2-OE2 3.26Å; T265-E268 WeakPolarHBondContact CG2-OE2 3.25Å; T265-E268 WeakPolarHBondContact OG1-CB 3.33Å; T265-E268 WeakPolarHBondContact OG1-CG 3.32Å; T265-E268 PolarHBondContact OG1-OE2 3.44Å
266	V	89.7	Confident	81.4	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	25%	0.252	C	S	.	.	S	Bend	trans	-78.3	-21.2	-177.6	-68	0	0	0	0	114.8	L143 Y181 I182 H183 F184 V234 I236	L143-V266 HydrophobicContact CD1-CG2 4.01Å; L143-V266 HydrophobicContact CD2-CG2 4.44Å; Y181-V266 CarbonylContact C-O 3.55Å; Y181-V266 VanDerWaalsContact CA-O 3.25Å; Y181-V266 WeakPolarHBondContact CA-O 3.25Å; Y181-V266 HydrophobicContact CD1-CB 4.2Å; Y181-V266 HydrophobicContact CD1-CG2 3.88Å; Y181-V266 HydrophobicContact CE1-CG2 4.22Å; Y181-V266 HydrophobicContact CG-CB 4.05Å; Y181-V266 HydrophobicContact CG-CG2 4.25Å; I182-V266 PolarHBondContact N-O 3.17Å; H183-V266 PolarHBondContact N-O 3.33Å; F184-V266 HydrophobicContact CB-CB 4.44Å; F184-V266 PolarHBondContact N-O 2.84Å; V234-V266 HydrophobicContact CG2-CG1 3.45Å; V234-V266 VanDerWaalsContact CG2-CG1 3.45Å; I236-V266 HydrophobicContact CG1-CG1 4.17Å
267	H	85.9	Confident	83.3	Confident	21 Å²	21	42.1 Å²	42.1	10%	0.097	23%	0.23	C	C	.	.	S	Bend	trans	-134.4	-14.3	-159.2	66.1	-82.9	0	0	0	115.2	Y142 L143	Y142-H267 AromaticContact CD2-NE2 3.94Å; Y142-H267 AromaticContact CE2-CD2 3.88Å; Y142-H267 AromaticContact CE2-CE1 3.5Å; Y142-H267 AromaticContact CE2-NE2 3.38Å; Y142-H267 WeakPolarHBondContact CE2-NE2 3.36Å; L143-H267 HydrophobicContact CD2-CB 3.62Å
268	E	82.6	Confident	84.9	Confident	44 Å²	44	36.6 Å²	36.6	21%	0.206	20%	0.197	C	C	.	.			trans	-74.1	137.4	-170.1	-64.9	-174.2	127.4	0	0	112.1	T265 R437	T265-E268 HydrophobicContact CG2-CG 4.05Å; T265-E268 VanDerWaalsContact CG2-OE2 3.26Å; T265-E268 WeakPolarHBondContact CG2-OE2 3.25Å; T265-E268 WeakPolarHBondContact OG1-CB 3.33Å; T265-E268 WeakPolarHBondContact OG1-CG 3.32Å; T265-E268 PolarHBondContact OG1-OE2 3.44Å; E268-R437 WeakPolarHBondContact OE1-CD 3.22Å; E268-R437 IonicContact OE1-CZ 3.59Å; E268-R437 IonicContact OE1-NE 3.76Å; E268-R437 PolarHBondContact OE1-NE 3.44Å; E268-R437 IonicContact OE1-NH1 2.68Å; E268-R437 PolarHBondContact OE1-NH1 3.31Å; E268-R437 IonicContact OE2-CZ 3.24Å; E268-R437 IonicContact OE2-NH1 3.68Å; E268-R437 PolarHBondContact OE2-NH1 2.98Å; E268-R437 IonicContact OE2-NH2 2.79Å
269	V	87.6	Confident	86.4	Confident	15 Å²	15	30 Å²	30	9%	0.091	16%	0.161	C	C	.	.			trans	-96.9	162.4	164.8	-63.7	0	0	0	0	110.2	I182 I271 E307 L310 A311 R437	I182-V269 HydrophobicContact CG2-CG1 4.42Å; V269-I271 VanDerWaalsContact C-N 3.27Å; V269-I271 PolarHBondContact O-N 2.71Å; V269-E307 HydrophobicContact CG1-CG 4.46Å; V269-L310 HydrophobicContact CG1-CB 4.11Å; V269-L310 HydrophobicContact CG1-CD1 4.08Å; V269-L310 HydrophobicContact CG2-CB 4.36Å; V269-A311 HydrophobicContact CG2-CB 3.83Å; V269-R437 PolarHBondContact O-NH2 3.13Å
270	D	89.5	Confident	87.2	Confident	40 Å²	40	26 Å²	26	21%	0.214	14%	0.141	C	C	.	.			trans	-74.6	83.9	170.7	-173	2.4	0	0	0	110.3	F272 R273 C274 S429 S433	D270-F272 PolarHBondContact O-N 3.4Å; D270-F272 PolarHBondContact OD1-N 2.84Å; D270-R273 HydrophobicContact CB-CB 3.96Å; D270-R273 PolarHBondContact O-N 2.83Å; D270-R273 PolarHBondContact OD1-N 2.85Å; D270-R273 VanDerWaalsContact OD2-CB 3.25Å; D270-R273 WeakPolarHBondContact OD2-CB 3.17Å; D270-C274 PolarHBondContact O-N 2.98Å; D270-C274 VanDerWaalsContact O-N 3.11Å; D270-C274 PolarHBondContact O-SG 3.08Å; D270-S429 VanDerWaalsContact CG-OG 3.26Å; D270-S429 PolarHBondContact OD1-OG 2.65Å; D270-S429 WeakPolarHBondContact OD2-CB 3.49Å; D270-S429 PolarHBondContact OD2-OG 2.81Å; D270-S433 PolarHBondContact OD1-OG 3.23Å
271	I	91.6	Very high	87.7	Confident	6 Å²	6	25 Å²	25	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-59.7	-31.1	-179.6	-172.5	162.5	0	0	0	111.8	V269 F275 A311 S433 L436 R437 F440	V269-I271 VanDerWaalsContact C-N 3.27Å; V269-I271 PolarHBondContact O-N 2.71Å; I271-F275 HydrophobicContact CD1-CD2 4.4Å; I271-F275 HydrophobicContact CD1-CE2 4.09Å; I271-F275 HydrophobicContact CG1-CD2 3.58Å; I271-F275 HydrophobicContact CG1-CE2 3.73Å; I271-F275 HydrophobicContact CG1-CG 4.48Å; I271-F275 WeakPolarHBondContact O-CB 3.39Å; I271-F275 VanDerWaalsContact O-CD2 3.31Å; I271-F275 WeakPolarHBondContact O-CD2 3.31Å; I271-F275 PolarHBondContact O-N 3.37Å; I271-A311 HydrophobicContact CB-CB 4.42Å; I271-A311 HydrophobicContact CG1-CB 4.13Å; I271-S433 VanDerWaalsContact CG2-OG 3.31Å; I271-S433 WeakPolarHBondContact CG2-OG 3.15Å; I271-S433 PolarHBondContact N-OG 2.8Å; I271-L436 HydrophobicContact CG1-CD2 4Å; I271-L436 HydrophobicContact CG1-CG 4.44Å; I271-L436 HydrophobicContact CG2-CD2 4.45Å; I271-R437 HydrophobicContact CG2-CG 3.74Å; I271-F440 HydrophobicContact CD1-CD2 3.83Å; I271-F440 HydrophobicContact CD1-CE2 3.78Å; I271-F440 HydrophobicContact CG1-CE2 4.47Å
272	F	91.6	Very high	88.1	Confident	12 Å²	12	23 Å²	23	5%	0.053	12%	0.121	C	C	.	.	H	α-helix	trans	-69.3	-46.8	175.2	-178.6	-101	0	0	0	111.9	D270 C274 F275 C276 L419 V423 Q432 S433	D270-F272 PolarHBondContact O-N 3.4Å; D270-F272 PolarHBondContact OD1-N 2.84Å; F272-C274 VanDerWaalsContact C-N 3.27Å; F272-C274 PolarHBondContact O-N 3.36Å; F272-F275 CarbonylContact O-C 3.37Å; F272-F275 PolarHBondContact O-N 3.08Å; F272-C276 HydrophobicContact CE1-CB 4.27Å; F272-C276 HydrophobicContact CZ-CB 4.25Å; F272-C276 WeakPolarHBondContact O-CA 3.44Å; F272-C276 VanDerWaalsContact O-CB 3.22Å; F272-C276 WeakPolarHBondContact O-CB 3.4Å; F272-C276 PolarHBondContact O-N 2.84Å; F272-L419 HydrophobicContact CD2-CD2 4.09Å; F272-L419 HydrophobicContact CE2-CD2 4.04Å; F272-V423 HydrophobicContact CZ-CG2 3.77Å; F272-Q432 HydrophobicContact CB-CB 4Å; F272-Q432 HydrophobicContact CD1-CB 3.75Å; F272-Q432 HydrophobicContact CD2-CB 3.54Å; F272-Q432 HydrophobicContact CE1-CB 4.16Å; F272-Q432 HydrophobicContact CE1-CG 4.49Å; F272-Q432 HydrophobicContact CE2-CB 3.96Å; F272-Q432 HydrophobicContact CG-CB 3.43Å; F272-Q432 VanDerWaalsContact CG-CB 3.43Å; F272-Q432 HydrophobicContact CZ-CB 4.26Å; F272-S433 WeakPolarHBondContact CB-OG 3.44Å; F272-S433 PolarHBondContact N-OG 3.21Å
273	R	90.6	Very high	88.6	Confident	90 Å²	90	20.2 Å²	20.2	34%	0.34	11%	0.107	S	C	.	.	H	α-helix	trans	-52.5	-47.6	172.4	175.8	-173.2	179.2	-148.9	2.6	111.4	D270 C276 E307 L374	D270-R273 HydrophobicContact CB-CB 3.96Å; D270-R273 PolarHBondContact O-N 2.83Å; D270-R273 PolarHBondContact OD1-N 2.85Å; D270-R273 VanDerWaalsContact OD2-CB 3.25Å; D270-R273 WeakPolarHBondContact OD2-CB 3.17Å; R273-C276 PolarHBondContact O-N 3.38Å; R273-E307 IonicContact CZ-OE1 2.74Å; R273-E307 IonicContact CZ-OE2 3.18Å; R273-E307 IonicContact NH1-OE1 2.74Å; R273-E307 PolarHBondContact NH1-OE1 3.49Å; R273-E307 IonicContact NH1-OE2 3.77Å; R273-E307 PolarHBondContact NH1-OE2 3.05Å; R273-L374 HydrophobicContact CG-CD1 3.79Å
274	C	91.2	Very high	89	Confident	6 Å²	6	19.8 Å²	19.8	4%	0.041	11%	0.105	C	C	.	.	H	α-helix	trans	-64.7	-44.7	-179.8	-59.7	0	0	0	0	113	D270 F272 E307 A311	D270-C274 PolarHBondContact O-N 2.98Å; D270-C274 VanDerWaalsContact O-N 3.11Å; D270-C274 PolarHBondContact O-SG 3.08Å; F272-C274 VanDerWaalsContact C-N 3.27Å; F272-C274 PolarHBondContact O-N 3.36Å; C274-E307 VanDerWaalsContact SG-C 3.56Å; C274-A311 HydrophobicContact CB-CB 3.67Å
275	F	90.3	Very high	89.8	Confident	2 Å²	2	16.4 Å²	16.4	1%	0.009	8%	0.082	C	C	.	.	H	α-helix	trans	-84	-12	-179.3	-82.2	-110.3	0	0	0	113.4	I271 F272 P277 V278 F279 S282 L285 A311 L312 C315 L436 F440	I271-F275 HydrophobicContact CD1-CD2 4.4Å; I271-F275 HydrophobicContact CD1-CE2 4.09Å; I271-F275 HydrophobicContact CG1-CD2 3.58Å; I271-F275 HydrophobicContact CG1-CE2 3.73Å; I271-F275 HydrophobicContact CG1-CG 4.48Å; I271-F275 WeakPolarHBondContact O-CB 3.39Å; I271-F275 VanDerWaalsContact O-CD2 3.31Å; I271-F275 WeakPolarHBondContact O-CD2 3.31Å; I271-F275 PolarHBondContact O-N 3.37Å; F272-F275 CarbonylContact O-C 3.37Å; F272-F275 PolarHBondContact O-N 3.08Å; F275-P277 VanDerWaalsContact C-N 3.34Å; F275-V278 HydrophobicContact CD1-CG2 4.43Å; F275-V278 CarbonylContact O-C 3.59Å; F275-V278 WeakPolarHBondContact O-CA 3.31Å; F275-V278 WeakPolarHBondContact O-CG2 3.07Å; F275-V278 PolarHBondContact O-N 3.13Å; F275-F279 PolarHBondContact O-N 3.22Å; F275-S282 WeakPolarHBondContact CD1-OG 3.29Å; F275-L285 HydrophobicContact CD1-CD1 4.08Å; F275-L285 HydrophobicContact CE1-CB 4.15Å; F275-L285 HydrophobicContact CE1-CD1 3.76Å; F275-A311 HydrophobicContact CD2-CB 4.27Å; F275-A311 HydrophobicContact CE2-CB 3.93Å; F275-L312 HydrophobicContact CZ-CD2 3.91Å; F275-L312 HydrophobicContact CZ-CG 4.44Å; F275-C315 HydrophobicContact CZ-CB 4.14Å; F275-L436 HydrophobicContact CB-CD2 3.75Å; F275-L436 HydrophobicContact CD2-CD2 4.46Å; F275-L436 HydrophobicContact CG-CD2 4.02Å; F275-F440 HydrophobicContact CD1-CE2 4.46Å; F275-F440 HydrophobicContact CD1-CZ 4.16Å; F275-F440 HydrophobicContact CE1-CE2 4.04Å; F275-F440 AromaticContact CE1-CZ 3.6Å; F275-F440 HydrophobicContact CE1-CZ 3.6Å; F275-F440 HydrophobicContact CZ-CE2 4.06Å; F275-F440 AromaticContact CZ-CZ 3.95Å; F275-F440 HydrophobicContact CZ-CZ 3.95Å
276	C	88.2	Confident	90.4	Very high	24 Å²	24	16 Å²	16	16%	0.162	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-42.5	-175.8	-176.4	0	0	0	0	113.1	F272 R273 V278 F279 P381	F272-C276 HydrophobicContact CE1-CB 4.27Å; F272-C276 HydrophobicContact CZ-CB 4.25Å; F272-C276 WeakPolarHBondContact O-CA 3.44Å; F272-C276 VanDerWaalsContact O-CB 3.22Å; F272-C276 WeakPolarHBondContact O-CB 3.4Å; F272-C276 PolarHBondContact O-N 2.84Å; R273-C276 PolarHBondContact O-N 3.38Å; C276-V278 PolarHBondContact O-N 2.87Å; C276-F279 VanDerWaalsContact O-CD1 3.31Å; C276-F279 WeakPolarHBondContact O-CD1 3.45Å; C276-P381 WeakPolarHBondContact O-CG 3.38Å
277	P	85.4	Confident	90.7	Very high	27 Å²	27	16 Å²	16	18%	0.175	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.5	175.7	-21.4	35.1	0	0	0	115.1	F275 I371 L374	F275-P277 VanDerWaalsContact C-N 3.34Å; P277-I371 HydrophobicContact CG-CD1 4.42Å; P277-L374 HydrophobicContact CG-CD2 4.04Å
278	V	88	Confident	91.3	Very high	6 Å²	6	15 Å²	15	4%	0.036	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.4	3.3	-166.4	-64.7	0	0	0	0	115.7	F275 C276 L280 H281 L285 I369 V401	F275-V278 HydrophobicContact CD1-CG2 4.43Å; F275-V278 CarbonylContact O-C 3.59Å; F275-V278 WeakPolarHBondContact O-CA 3.31Å; F275-V278 WeakPolarHBondContact O-CG2 3.07Å; F275-V278 PolarHBondContact O-N 3.13Å; C276-V278 PolarHBondContact O-N 2.87Å; V278-L280 PolarHBondContact O-N 3.45Å; V278-H281 WeakPolarHBondContact O-CA 3.34Å; V278-H281 WeakPolarHBondContact O-CB 3.33Å; V278-H281 PolarHBondContact O-N 3.36Å; V278-L285 HydrophobicContact CB-CD1 4.19Å; V278-L285 HydrophobicContact CG2-CD1 3.73Å; V278-I369 HydrophobicContact CG1-CG2 4.32Å; V278-V401 HydrophobicContact CB-CG2 4.14Å; V278-V401 HydrophobicContact CG1-CG2 3.77Å
279	F	87.6	Confident	92.1	Very high	4 Å²	4	13 Å²	13	2%	0.018	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-61.5	-20.6	-168.8	73.2	-98.8	0	0	0	115	F275 C276 H281 S282 P381 L419 Q420	F275-F279 PolarHBondContact O-N 3.22Å; C276-F279 VanDerWaalsContact O-CD1 3.31Å; C276-F279 WeakPolarHBondContact O-CD1 3.45Å; F279-H281 PolarHBondContact O-N 3.02Å; F279-S282 WeakPolarHBondContact CA-OG 3.27Å; F279-S282 WeakPolarHBondContact O-CB 3.3Å; F279-S282 PolarHBondContact O-N 3.31Å; F279-S282 VanDerWaalsContact O-N 3.08Å; F279-S282 PolarHBondContact O-OG 2.75Å; F279-S282 VanDerWaalsContact O-OG 3.1Å; F279-P381 HydrophobicContact CE1-CG 4.03Å; F279-L419 HydrophobicContact CB-CD1 4.32Å; F279-L419 HydrophobicContact CD2-CB 4.14Å; F279-L419 HydrophobicContact CD2-CD1 4.07Å; F279-L419 HydrophobicContact CE2-CB 4.08Å; F279-L419 HydrophobicContact CG-CD1 4.34Å; F279-Q420 HydrophobicContact CE2-CG 3.9Å; F279-Q420 HydrophobicContact CZ-CG 3.77Å
280	L	88.9	Confident	92.6	Very high	14 Å²	14	12.2 Å²	12.2	7%	0.073	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-62.2	-3.9	168.9	-56.3	177.8	0	0	0	113.6	V278 Q383 R411 I416	V278-L280 PolarHBondContact O-N 3.45Å; L280-Q383 HydrophobicContact CD1-CB 4.36Å; L280-Q383 HydrophobicContact CD1-CG 4.14Å; L280-R411 PolarHBondContact O-NE 2.94Å; L280-I416 HydrophobicContact CD2-CG2 3.74Å
281	H	91.1	Very high	92.9	Very high	8 Å²	8	10.6 Å²	10.6	4%	0.037	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-126.6	6.4	179.1	-51.5	-35.5	0	0	0	112.6	V278 F279 Q283 M284 L285 A384 V401 R411	V278-H281 WeakPolarHBondContact O-CA 3.34Å; V278-H281 WeakPolarHBondContact O-CB 3.33Å; V278-H281 PolarHBondContact O-N 3.36Å; F279-H281 PolarHBondContact O-N 3.02Å; H281-Q283 PolarHBondContact O-N 2.73Å; H281-Q283 VanDerWaalsContact O-N 3.12Å; H281-M284 HydrophobicContact CB-CE 4.08Å; H281-M284 WeakPolarHBondContact O-CA 3.23Å; H281-M284 WeakPolarHBondContact O-CB 3.46Å; H281-M284 PolarHBondContact O-N 3.12Å; H281-L285 HydrophobicContact CB-CG 4.41Å; H281-L285 WeakPolarHBondContact O-CG 3.3Å; H281-L285 PolarHBondContact O-N 2.82Å; H281-A384 PolarHBondContact NE2-O 3.16Å; H281-V401 HydrophobicContact CB-CG2 4.41Å; H281-R411 PolarHBondContact CE1-NH1 2.71Å; H281-R411 PolarHBondContact CE1-NH2 2.94Å; H281-R411 PolarHBondContact ND1-NH2 3.2Å
282	S	93.1	Very high	93.2	Very high	6 Å²	6	10.4 Å²	10.4	4%	0.042	5%	0.052	C	C	.	.	H	α-helix	trans	-49.2	-42.8	-175.7	-70.3	0	0	0	0	113.5	F275 F279 L285 W286	F275-S282 WeakPolarHBondContact CD1-OG 3.29Å; F279-S282 WeakPolarHBondContact CA-OG 3.27Å; F279-S282 WeakPolarHBondContact O-CB 3.3Å; F279-S282 PolarHBondContact O-N 3.31Å; F279-S282 VanDerWaalsContact O-N 3.08Å; F279-S282 PolarHBondContact O-OG 2.75Å; F279-S282 VanDerWaalsContact O-OG 3.1Å; S282-L285 PolarHBondContact O-N 3.18Å; S282-W286 WeakPolarHBondContact O-CB 3.32Å; S282-W286 PolarHBondContact O-N 3.25Å
283	Q	94.7	Very high	93.4	Very high	6 Å²	6	11.9 Å²	11.9	3%	0.028	6%	0.059	C	C	.	.	H	α-helix	trans	-64.2	-39.5	176.3	168.5	-86.7	-32.9	0	0	113.3	H281 E287 P407 L409	H281-Q283 PolarHBondContact O-N 2.73Å; H281-Q283 VanDerWaalsContact O-N 3.12Å; Q283-E287 PolarHBondContact NE2-OE1 3.28Å; Q283-E287 PolarHBondContact O-N 2.95Å; Q283-E287 VanDerWaalsContact O-N 3.1Å; Q283-P407 VanDerWaalsContact NE2-CB 3.33Å; Q283-L409 PolarHBondContact NE2-O 3.38Å
284	M	95.6	Very high	93.7	Very high	3 Å²	3	8.2 Å²	8.2	2%	0.015	5%	0.047	C	C	.	.	H	α-helix	trans	-69	-39.8	174.6	177.9	174.3	72.5	0	0	111.2	H281 W286 E287 L288 V386 V401 T403 Y405 P407	H281-M284 HydrophobicContact CB-CE 4.08Å; H281-M284 WeakPolarHBondContact O-CA 3.23Å; H281-M284 WeakPolarHBondContact O-CB 3.46Å; H281-M284 PolarHBondContact O-N 3.12Å; M284-W286 VanDerWaalsContact C-N 3.33Å; M284-E287 PolarHBondContact O-N 3.3Å; M284-L288 WeakPolarHBondContact O-CG 3.49Å; M284-L288 PolarHBondContact O-N 2.96Å; M284-V386 HydrophobicContact CE-CG1 4.28Å; M284-V386 HydrophobicContact CE-CG2 3.89Å; M284-V401 HydrophobicContact CE-CB 4.37Å; M284-V401 HydrophobicContact CE-CG1 3.83Å; M284-T403 HydrophobicContact CE-CG2 3.78Å; M284-T403 HydrophobicContact SD-CG2 3.9Å; M284-Y405 HydrophobicContact CG-CD1 3.95Å; M284-Y405 HydrophobicContact CG-CE1 4.38Å; M284-Y405 HydrophobicContact SD-CD1 4.31Å; M284-P407 HydrophobicContact CB-CG 3.86Å; M284-P407 HydrophobicContact CG-CG 3.82Å; M284-P407 HydrophobicContact SD-CG 4.01Å
285	L	96.6	Very high	93.9	Very high	1 Å²	1	8 Å²	8	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-64.3	-40	176.8	-63.9	179.9	0	0	0	111.2	F275 V278 H281 S282 L288 V289 L312 I369 V401	F275-L285 HydrophobicContact CD1-CD1 4.08Å; F275-L285 HydrophobicContact CE1-CB 4.15Å; F275-L285 HydrophobicContact CE1-CD1 3.76Å; V278-L285 HydrophobicContact CB-CD1 4.19Å; V278-L285 HydrophobicContact CG2-CD1 3.73Å; H281-L285 HydrophobicContact CB-CG 4.41Å; H281-L285 WeakPolarHBondContact O-CG 3.3Å; H281-L285 PolarHBondContact O-N 2.82Å; S282-L285 PolarHBondContact O-N 3.18Å; L285-L288 PolarHBondContact O-N 2.86Å; L285-V289 WeakPolarHBondContact O-CG2 3.48Å; L285-V289 PolarHBondContact O-N 3.46Å; L285-L312 HydrophobicContact CB-CD2 4.14Å; L285-L312 HydrophobicContact CD1-CD2 4.42Å; L285-I369 HydrophobicContact CD2-CD1 3.75Å; L285-I369 HydrophobicContact CD2-CG1 4.2Å; L285-V401 HydrophobicContact CD2-CG1 4.46Å; L285-V401 HydrophobicContact CD2-CG2 4.31Å
286	W	97.7	Very high	94.2	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-59.1	-45.6	171.8	175.1	86.8	0	0	0	112.4	S282 M284 L288 V289 L290 C315 L409 F440 L443 T444 F447 W501 L504	S282-W286 WeakPolarHBondContact O-CB 3.32Å; S282-W286 PolarHBondContact O-N 3.25Å; M284-W286 VanDerWaalsContact C-N 3.33Å; W286-L288 PolarHBondContact O-N 3.49Å; W286-V289 PolarHBondContact O-N 2.99Å; W286-L290 HydrophobicContact CE3-CD2 4.43Å; W286-L290 HydrophobicContact CH2-CD2 3.51Å; W286-L290 HydrophobicContact CZ2-CD2 3.74Å; W286-L290 HydrophobicContact CZ3-CD2 3.88Å; W286-L290 WeakPolarHBondContact O-CB 3.47Å; W286-L290 PolarHBondContact O-N 2.68Å; W286-C315 VanDerWaalsContact CD1-O 3.26Å; W286-L409 HydrophobicContact CH2-CD1 4.45Å; W286-L409 HydrophobicContact CZ3-CD1 3.85Å; W286-F440 HydrophobicContact CB-CD1 4.23Å; W286-F440 HydrophobicContact CB-CE1 3.92Å; W286-F440 AromaticContact CD1-CD1 3.92Å; W286-F440 HydrophobicContact CG-CD1 4.33Å; W286-F440 HydrophobicContact CG-CE1 4.49Å; W286-L443 HydrophobicContact CD2-CD2 3.63Å; W286-L443 HydrophobicContact CD2-CG 4.08Å; W286-L443 HydrophobicContact CE3-CD2 3.8Å; W286-L443 HydrophobicContact CE3-CG 4.29Å; W286-L443 HydrophobicContact CG-CD2 4.06Å; W286-L443 HydrophobicContact CH2-CD1 4.16Å; W286-L443 HydrophobicContact CH2-CD2 4.36Å; W286-L443 HydrophobicContact CH2-CG 3.95Å; W286-L443 HydrophobicContact CZ2-CD1 4.36Å; W286-L443 HydrophobicContact CZ2-CD2 4.21Å; W286-L443 HydrophobicContact CZ2-CG 3.71Å; W286-L443 HydrophobicContact CZ3-CD1 4.42Å; W286-L443 HydrophobicContact CZ3-CD2 4.17Å; W286-L443 HydrophobicContact CZ3-CG 4.24Å; W286-T444 PolarHBondContact NE1-OG1 2.77Å; W286-F447 HydrophobicContact CH2-CB 4.17Å; W286-F447 HydrophobicContact CH2-CD2 4.38Å; W286-F447 HydrophobicContact CH2-CG 4.31Å; W286-F447 HydrophobicContact CZ2-CB 4.17Å; W286-F447 HydrophobicContact CZ2-CG 4.5Å; W286-W501 HydrophobicContact CH2-CZ3 4.49Å; W286-L504 HydrophobicContact CH2-CD2 4.12Å; W286-L504 HydrophobicContact CZ3-CD2 3.89Å
287	E	97.8	Very high	94.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-61.4	-44.2	175.3	-74.2	-173.5	-163	0	0	112.6	Q283 M284 V289 L290 L291 Y405 P407 Y408 L409 L504	Q283-E287 PolarHBondContact NE2-OE1 3.28Å; Q283-E287 PolarHBondContact O-N 2.95Å; Q283-E287 VanDerWaalsContact O-N 3.1Å; M284-E287 PolarHBondContact O-N 3.3Å; E287-V289 PolarHBondContact O-N 3.26Å; E287-L290 PolarHBondContact O-N 3.08Å; E287-L291 WeakPolarHBondContact O-CB 3.49Å; E287-L291 VanDerWaalsContact O-CG 3.24Å; E287-L291 WeakPolarHBondContact O-CG 3.47Å; E287-L291 PolarHBondContact O-N 2.9Å; E287-Y405 HydrophobicContact CB-CE1 4.17Å; E287-Y405 WeakPolarHBondContact OE2-CE1 3.27Å; E287-Y405 PolarHBondContact OE2-OH 3.25Å; E287-P407 VanDerWaalsContact OE2-CA 3.22Å; E287-P407 WeakPolarHBondContact OE2-CA 3.18Å; E287-Y408 PolarHBondContact OE1-N 3.41Å; E287-Y408 PolarHBondContact OE2-N 2.82Å; E287-L409 VanDerWaalsContact OE1-CB 3.31Å; E287-L409 WeakPolarHBondContact OE1-CB 3.21Å; E287-L409 WeakPolarHBondContact OE1-CG 3.42Å; E287-L409 PolarHBondContact OE1-N 2.81Å; E287-L504 HydrophobicContact CB-CD1 4.47Å; E287-L504 HydrophobicContact CG-CD1 3.98Å
288	L	97.9	Very high	95	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-61.3	-42.9	178.5	-66.8	-179.9	0	0	0	112.1	M284 L285 W286 G292 E293 H367 Y405	M284-L288 WeakPolarHBondContact O-CG 3.49Å; M284-L288 PolarHBondContact O-N 2.96Å; L285-L288 PolarHBondContact O-N 2.86Å; W286-L288 PolarHBondContact O-N 3.49Å; L288-G292 PolarHBondContact O-N 3.2Å; L288-E293 HydrophobicContact CB-CB 4.37Å; L288-E293 HydrophobicContact CD2-CB 4.02Å; L288-E293 HydrophobicContact CD2-CG 3.96Å; L288-E293 PolarHBondContact O-N 2.69Å; L288-H367 HydrophobicContact CD1-CB 4.21Å; L288-H367 WeakPolarHBondContact CD2-NE2 3.32Å; L288-Y405 HydrophobicContact CD2-CD1 3.86Å; L288-Y405 HydrophobicContact CD2-CD2 3.67Å; L288-Y405 HydrophobicContact CD2-CE1 4.1Å; L288-Y405 HydrophobicContact CD2-CE2 3.95Å; L288-Y405 HydrophobicContact CD2-CG 3.65Å; L288-Y405 HydrophobicContact CG-CD1 4.46Å
289	V	98.2	Very high	95.2	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.006	4%	0.035	C	C	.	.	H	α-helix	trans	-68.3	-43.6	175.9	176.9	0	0	0	0	110.9	L285 W286 E287 L291 G292 L312 I316 Y321 I350 N513	L285-V289 WeakPolarHBondContact O-CG2 3.48Å; L285-V289 PolarHBondContact O-N 3.46Å; W286-V289 PolarHBondContact O-N 2.99Å; E287-V289 PolarHBondContact O-N 3.26Å; V289-L291 VanDerWaalsContact C-N 3.3Å; V289-L291 PolarHBondContact O-N 2.75Å; V289-G292 PolarHBondContact O-N 2.79Å; V289-G292 VanDerWaalsContact O-N 3.13Å; V289-L312 WeakPolarHBondContact CG1-O 3.4Å; V289-L312 HydrophobicContact CG2-CB 4.05Å; V289-L312 HydrophobicContact CG2-CD2 4.1Å; V289-I316 HydrophobicContact CB-CG2 4.06Å; V289-I316 HydrophobicContact CG1-CB 4.47Å; V289-I316 HydrophobicContact CG1-CD1 4.09Å; V289-I316 HydrophobicContact CG1-CG1 3.97Å; V289-I316 HydrophobicContact CG1-CG2 3.72Å; V289-Y321 HydrophobicContact CG1-CD2 3.65Å; V289-Y321 HydrophobicContact CG1-CE2 3.74Å; V289-Y321 VanDerWaalsContact O-CE2 3.28Å; V289-Y321 WeakPolarHBondContact O-CE2 3.38Å; V289-I350 HydrophobicContact CG2-CD1 4.07Å; V289-N513 PolarHBondContact O-ND2 3.26Å
290	L	98.1	Very high	95.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-58.9	-42	179.2	178.5	65	0	0	0	112	W286 E287 G292 I316 L319 F447 L504 F508 N513	W286-L290 HydrophobicContact CE3-CD2 4.43Å; W286-L290 HydrophobicContact CH2-CD2 3.51Å; W286-L290 HydrophobicContact CZ2-CD2 3.74Å; W286-L290 HydrophobicContact CZ3-CD2 3.88Å; W286-L290 WeakPolarHBondContact O-CB 3.47Å; W286-L290 PolarHBondContact O-N 2.68Å; E287-L290 PolarHBondContact O-N 3.08Å; L290-G292 VanDerWaalsContact C-N 3.33Å; L290-I316 HydrophobicContact CB-CG2 4.07Å; L290-L319 HydrophobicContact CD1-CD2 3.52Å; L290-F447 HydrophobicContact CD1-CD1 4.01Å; L290-F447 HydrophobicContact CD1-CE1 3.8Å; L290-F447 HydrophobicContact CD1-CZ 4.48Å; L290-F447 HydrophobicContact CD2-CD1 4.05Å; L290-F447 HydrophobicContact CD2-CD2 4.2Å; L290-F447 HydrophobicContact CD2-CE1 3.91Å; L290-F447 HydrophobicContact CD2-CE2 4.04Å; L290-F447 HydrophobicContact CD2-CG 4.2Å; L290-F447 HydrophobicContact CD2-CZ 3.9Å; L290-F447 HydrophobicContact CG-CE1 4.26Å; L290-F447 HydrophobicContact CG-CZ 4.48Å; L290-L504 HydrophobicContact CD2-CD1 4.41Å; L290-L504 HydrophobicContact CD2-CD2 4.24Å; L290-L504 HydrophobicContact CD2-CG 4.47Å; L290-F508 HydrophobicContact CD1-CD2 3.94Å; L290-F508 HydrophobicContact CD1-CE2 3.72Å; L290-F508 HydrophobicContact CG-CD2 3.94Å; L290-F508 HydrophobicContact CG-CE2 4.22Å; L290-F508 WeakPolarHBondContact O-CD2 3.43Å; L290-N513 PolarHBondContact O-ND2 3.3Å
291	L	97.8	Very high	95.4	Very high	6 Å²	6	8.1 Å²	8.1	3%	0.031	5%	0.047	C	C	.	.	H	α-helix	trans	-79.1	-11.8	179.7	-65.5	172.9	0	0	0	113.8	E287 V289 E293 Y405 Y408 L504 H507 F508 S511	E287-L291 WeakPolarHBondContact O-CB 3.49Å; E287-L291 VanDerWaalsContact O-CG 3.24Å; E287-L291 WeakPolarHBondContact O-CG 3.47Å; E287-L291 PolarHBondContact O-N 2.9Å; V289-L291 VanDerWaalsContact C-N 3.3Å; V289-L291 PolarHBondContact O-N 2.75Å; L291-E293 HydrophobicContact CB-CG 3.97Å; L291-Y405 HydrophobicContact CD1-CE2 4.17Å; L291-Y405 VanDerWaalsContact CD1-OH 3.26Å; L291-Y405 WeakPolarHBondContact CD1-OH 3.35Å; L291-Y408 HydrophobicContact CD1-CE2 4.28Å; L291-L504 HydrophobicContact CD1-CD1 4.23Å; L291-L504 HydrophobicContact CD2-CD1 4.22Å; L291-L504 HydrophobicContact CG-CD1 4.31Å; L291-H507 HydrophobicContact CD2-CB 3.74Å; L291-F508 HydrophobicContact CD2-CB 4Å; L291-S511 WeakPolarHBondContact O-CB 3.5Å
292	G	96.7	Very high	95.6	Very high	2 Å²	2	7.8 Å²	7.8	2%	0.021	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	31.6	-176.7	0	0	0	0	0	113.2	L288 V289 L290 S348	L288-G292 PolarHBondContact O-N 3.2Å; V289-G292 PolarHBondContact O-N 2.79Å; V289-G292 VanDerWaalsContact O-N 3.13Å; L290-G292 VanDerWaalsContact C-N 3.33Å; G292-S348 WeakPolarHBondContact O-CB 3.26Å; G292-S348 PolarHBondContact O-OG 2.78Å
293	E	96.5	Very high	95.6	Very high	43 Å²	43	8.2 Å²	8.2	20%	0.201	5%	0.049	C	C	.	.			trans	-71	142.2	-177.7	-71.8	-84	-157.2	0	0	112	L288 L291 L295 H367 H507	L288-E293 HydrophobicContact CB-CB 4.37Å; L288-E293 HydrophobicContact CD2-CB 4.02Å; L288-E293 HydrophobicContact CD2-CG 3.96Å; L288-E293 PolarHBondContact O-N 2.69Å; L291-E293 HydrophobicContact CB-CG 3.97Å; E293-L295 PolarHBondContact O-N 3.48Å; E293-H367 IonicContact OE2-NE2 2.76Å; E293-H507 IonicContact OE1-CE1 3.67Å; E293-H507 PolarHBondContact OE1-CE1 3.38Å
294	P	96.3	Very high	95.5	Very high	13 Å²	13	9 Å²	9	8%	0.084	5%	0.053	C	C	.	.			trans	-64.1	121.8	-179.6	-20.5	32.2	0	0	0	112.6	P346 P347 W365 P366 H367	P294-P346 HydrophobicContact CB-CB 3.75Å; P294-P346 HydrophobicContact CG-CB 3.97Å; P294-P346 WeakPolarHBondContact CG-O 3.31Å; P294-P347 WeakPolarHBondContact CB-O 3.43Å; P294-P347 WeakPolarHBondContact CG-O 3.48Å; P294-W365 HydrophobicContact CB-CE3 3.81Å; P294-W365 HydrophobicContact CB-CZ3 3.83Å; P294-P366 HydrophobicContact CB-CG 4.16Å; P294-P366 HydrophobicContact CG-CG 4.34Å; P294-H367 PolarHBondContact O-CD2 3.22Å
295	L	96.6	Very high	95.5	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129.2	-167.2	-178	61.6	0	0	0	112.6	E293 L312 V349 I350 L351 H367 I369	E293-L295 PolarHBondContact O-N 3.48Å; L295-L312 HydrophobicContact CD2-CD1 3.97Å; L295-L312 HydrophobicContact CD2-CD2 4.4Å; L295-V349 PolarHBondContact N-O 3.26Å; L295-I350 HydrophobicContact CB-CG1 4.39Å; L295-I350 HydrophobicContact CB-CG2 4.32Å; L295-I350 HydrophobicContact CD2-CD1 4.41Å; L295-I350 HydrophobicContact CD2-CG2 4.2Å; L295-I350 HydrophobicContact CG-CG2 4.27Å; L295-I350 CarbonylContact O-C 3.57Å; L295-I350 WeakPolarHBondContact O-CA 3.42Å; L295-L351 PolarHBondContact O-N 3.07Å; L295-H367 HydrophobicContact CD1-CB 3.52Å; L295-I369 HydrophobicContact CD1-CD1 3.9Å; L295-I369 HydrophobicContact CD1-CG1 4.04Å; L295-I369 HydrophobicContact CD2-CD1 4.04Å; L295-I369 HydrophobicContact CG-CD1 4.29Å
296	V	96.5	Very high	95.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.5	173.8	-168.1	0	0	0	0	110.5	M298 L351 V353 L362 W365 H367 I368 I369	V296-M298 HydrophobicContact CG1-CE 3.99Å; V296-M298 HydrophobicContact CG1-CG 4.16Å; V296-L351 CarbonylContact C-O 3.55Å; V296-L351 WeakPolarHBondContact CA-O 3.27Å; V296-V353 HydrophobicContact CG1-CG2 3.85Å; V296-L362 HydrophobicContact CB-CD1 4.49Å; V296-L362 HydrophobicContact CG1-CD1 3.85Å; V296-L362 HydrophobicContact CG2-CB 4.21Å; V296-L362 HydrophobicContact CG2-CD1 3.76Å; V296-W365 HydrophobicContact CG2-CB 4.17Å; V296-W365 HydrophobicContact CG2-CD2 3.81Å; V296-W365 HydrophobicContact CG2-CE3 3.48Å; V296-W365 VanDerWaalsContact CG2-CE3 3.48Å; V296-W365 HydrophobicContact CG2-CG 4.12Å; V296-W365 HydrophobicContact CG2-CZ3 4.17Å; V296-H367 PolarHBondContact N-O 3.24Å; V296-I368 HydrophobicContact CB-CG1 4.22Å; V296-I368 HydrophobicContact CG2-CG1 4.39Å; V296-I368 CarbonylContact O-C 3.5Å; V296-I368 WeakPolarHBondContact O-CA 3.41Å; V296-I369 PolarHBondContact O-N 3.2Å
297	V	95.9	Very high	95.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111.4	167.5	-178.7	0	0	0	0	108.3	T308 V309 L312 I350 L351 V353 I369 I371	V297-T308 HydrophobicContact CG1-CG2 3.77Å; V297-T308 HydrophobicContact CG2-CG2 4.26Å; V297-V309 HydrophobicContact CB-CG2 4.14Å; V297-V309 HydrophobicContact CG2-CG2 3.96Å; V297-L312 HydrophobicContact CG2-CD1 3.53Å; V297-I350 HydrophobicContact CG2-CG2 4.31Å; V297-L351 PolarHBondContact N-O 3.25Å; V297-V353 PolarHBondContact O-N 2.6Å; V297-I369 HydrophobicContact CG2-CB 4.5Å; V297-I369 HydrophobicContact CG2-CD1 4.27Å; V297-I371 HydrophobicContact CG1-CG1 4.1Å
298	M	93.5	Very high	95.3	Very high	17 Å²	17	10.6 Å²	10.6	8%	0.084	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	123.2	169.1	-60.9	173.1	-172.9	0	0	108.2	V296 V353 A359 I368 I369 R370 I371	V296-M298 HydrophobicContact CG1-CE 3.99Å; V296-M298 HydrophobicContact CG1-CG 4.16Å; M298-V353 WeakPolarHBondContact CA-O 3.16Å; M298-V353 HydrophobicContact CB-CG2 4.47Å; M298-V353 HydrophobicContact CG-CG2 3.84Å; M298-A359 HydrophobicContact CE-CB 4.38Å; M298-A359 HydrophobicContact SD-CB 4.17Å; M298-I368 HydrophobicContact CE-CD1 4.06Å; M298-I368 HydrophobicContact CE-CG1 4.49Å; M298-I368 HydrophobicContact CE-CG2 3.65Å; M298-I368 HydrophobicContact CG-CG2 4.3Å; M298-I368 HydrophobicContact SD-CG2 3.77Å; M298-I369 PolarHBondContact N-O 3.41Å; M298-R370 HydrophobicContact CB-CG 4.23Å; M298-R370 HydrophobicContact SD-CG 4.3Å; M298-I371 PolarHBondContact O-N 3.41Å
299	A	92	Very high	95.3	Very high	9 Å²	9	10.6 Å²	10.6	7%	0.074	6%	0.061	C	C	.	.			trans	-132.4	161.4	-176.6	0	0	0	0	0	112.6	E304 V353 T354 I371	A299-E304 HydrophobicContact CB-CB 4.03Å; A299-V353 PolarHBondContact N-O 3.49Å; A299-T354 WeakPolarHBondContact O-CA 3.41Å; A299-I371 HydrophobicContact CB-CB 4.11Å
300	P	89.4	Confident	95.2	Very high	31 Å²	31	11 Å²	11	20%	0.201	6%	0.063	C	C	.	.	S	Bend	trans	-67.3	-41.3	177.7	-17.8	30.6	0	0	0	113	E304 D373	P300-E304 WeakPolarHBondContact CD-OE2 3.17Å; P300-D373 WeakPolarHBondContact CB-OD1 3.37Å; P300-D373 WeakPolarHBondContact CG-OD1 3.3Å
301	S	91.9	Very high	95	Very high	22 Å²	22	11 Å²	11	15%	0.154	6%	0.063	C	C	.	.	S	Bend	trans	-124.2	154.8	-172.5	66.3	0	0	0	0	113	S303 E304 S305 T354	S301-S303 PolarHBondContact O-N 2.94Å; S301-E304 WeakPolarHBondContact CB-OE2 3.41Å; S301-E304 PolarHBondContact N-OE2 2.79Å; S301-E304 PolarHBondContact O-N 2.97Å; S301-E304 WeakPolarHBondContact OG-CB 3.32Å; S301-E304 WeakPolarHBondContact OG-CG 3.42Å; S301-E304 PolarHBondContact OG-N 2.92Å; S301-E304 VanDerWaalsContact OG-N 3.12Å; S301-E304 PolarHBondContact OG-OE2 3.04Å; S301-S305 WeakPolarHBondContact O-CB 3.45Å; S301-S305 PolarHBondContact O-N 3.29Å; S301-T354 WeakPolarHBondContact O-CG2 2.92Å
302	P	94.4	Very high	95	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.006	6%	0.061	C	C	.	.	H	α-helix	trans	-61.2	-29.7	173.6	-24.7	35.9	0	0	0	112.7	P102 F114 S306 Y328 T354	P102-P302 HydrophobicContact CB-CG 3.98Å; P102-P302 HydrophobicContact CG-CG 4.17Å; F114-P302 HydrophobicContact CB-CB 3.89Å; F114-P302 WeakPolarHBondContact CB-O 3.25Å; F114-P302 HydrophobicContact CD1-CB 3.8Å; F114-P302 HydrophobicContact CD2-CB 3.56Å; F114-P302 HydrophobicContact CE1-CB 4.13Å; F114-P302 HydrophobicContact CE2-CB 3.89Å; F114-P302 HydrophobicContact CG-CB 3.5Å; F114-P302 HydrophobicContact CZ-CB 4.17Å; P302-S306 WeakPolarHBondContact O-CB 3.43Å; P302-S306 PolarHBondContact O-N 2.83Å; P302-S306 PolarHBondContact O-OG 2.91Å; P302-Y328 HydrophobicContact CB-CD1 4.35Å; P302-Y328 HydrophobicContact CB-CD2 3.99Å; P302-Y328 HydrophobicContact CB-CE1 4.2Å; P302-Y328 HydrophobicContact CB-CE2 3.87Å; P302-Y328 HydrophobicContact CB-CG 4.24Å; P302-Y328 HydrophobicContact CG-CE1 4.32Å; P302-Y328 HydrophobicContact CG-CE2 4.01Å; P302-T354 HydrophobicContact CG-CG2 4.27Å
303	S	93.7	Very high	95	Very high	16 Å²	16	11.6 Å²	11.6	11%	0.112	7%	0.066	C	C	.	.	H	α-helix	trans	-61	-57	172.7	-51.3	0	0	0	0	111.3	T112 Q113 S301 S305 S306 E307	T112-S303 WeakPolarHBondContact CG2-OG 3.26Å; Q113-S303 VanDerWaalsContact O-CB 3.29Å; Q113-S303 WeakPolarHBondContact O-CB 3.32Å; Q113-S303 PolarHBondContact O-OG 2.95Å; S301-S303 PolarHBondContact O-N 2.94Å; S303-S305 VanDerWaalsContact C-N 3.29Å; S303-S305 PolarHBondContact O-N 2.91Å; S303-S306 PolarHBondContact O-N 3.48Å; S303-S306 PolarHBondContact O-OG 3.49Å; S303-E307 WeakPolarHBondContact O-CB 3.45Å; S303-E307 WeakPolarHBondContact O-CG 3.16Å; S303-E307 PolarHBondContact O-N 2.89Å
304	E	92.4	Very high	94.8	Very high	23 Å²	23	11.6 Å²	11.6	11%	0.107	7%	0.068	C	C	.	.	H	α-helix	trans	-64.9	-33.8	179.9	-70.3	163.9	111.6	0	0	112.2	A299 P300 S301 T308	A299-E304 HydrophobicContact CB-CB 4.03Å; P300-E304 WeakPolarHBondContact CD-OE2 3.17Å; S301-E304 WeakPolarHBondContact CB-OE2 3.41Å; S301-E304 PolarHBondContact N-OE2 2.79Å; S301-E304 PolarHBondContact O-N 2.97Å; S301-E304 WeakPolarHBondContact OG-CB 3.32Å; S301-E304 WeakPolarHBondContact OG-CG 3.42Å; S301-E304 PolarHBondContact OG-N 2.92Å; S301-E304 VanDerWaalsContact OG-N 3.12Å; S301-E304 PolarHBondContact OG-OE2 3.04Å; E304-T308 WeakPolarHBondContact O-CB 3.33Å; E304-T308 PolarHBondContact O-N 2.91Å; E304-T308 PolarHBondContact O-OG1 3.19Å
305	S	95.1	Very high	94.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-57.2	-58.5	171.4	177.3	0	0	0	0	111	S301 S303 T308 V309 P327 G352 V353	S301-S305 WeakPolarHBondContact O-CB 3.45Å; S301-S305 PolarHBondContact O-N 3.29Å; S303-S305 VanDerWaalsContact C-N 3.29Å; S303-S305 PolarHBondContact O-N 2.91Å; S305-T308 PolarHBondContact O-N 3.36Å; S305-V309 WeakPolarHBondContact O-CG2 3.48Å; S305-V309 PolarHBondContact O-N 3.33Å; S305-P327 CarbonylContact C-O 3.6Å; S305-P327 VanDerWaalsContact C-O 3.3Å; S305-P327 PolarHBondContact OG-O 2.6Å; S305-G352 WeakPolarHBondContact OG-CA 3.24Å; S305-G352 PolarHBondContact OG-O 2.69Å; S305-V353 PolarHBondContact OG-N 3.05Å
306	S	96.3	Very high	94.7	Very high	1 Å²	1	11 Å²	11	1%	0.007	6%	0.063	C	C	.	.	H	α-helix	trans	-71	-42.2	-172.8	56.7	0	0	0	0	112.8	F114 C115 P302 S303 T308 L310 P327	F114-S306 WeakPolarHBondContact CB-OG 3.48Å; C115-S306 PolarHBondContact N-OG 2.98Å; C115-S306 VanDerWaalsContact O-CB 3.24Å; C115-S306 WeakPolarHBondContact O-CB 3.3Å; P302-S306 WeakPolarHBondContact O-CB 3.43Å; P302-S306 PolarHBondContact O-N 2.83Å; P302-S306 PolarHBondContact O-OG 2.91Å; S303-S306 PolarHBondContact O-N 3.48Å; S303-S306 PolarHBondContact O-OG 3.49Å; S306-T308 PolarHBondContact O-N 3.28Å; S306-L310 WeakPolarHBondContact O-CB 3.38Å; S306-L310 WeakPolarHBondContact O-CD1 3.33Å; S306-L310 VanDerWaalsContact O-CG 3.26Å; S306-L310 WeakPolarHBondContact O-CG 3.33Å; S306-L310 PolarHBondContact O-N 3.37Å; S306-P327 WeakPolarHBondContact CA-O 3.35Å; S306-P327 PolarHBondContact N-O 3Å
307	E	95.4	Very high	94.5	Very high	30 Å²	30	12.4 Å²	12.4	14%	0.14	7%	0.073	C	C	.	.	H	α-helix	trans	-59.2	-44.1	172.2	-69.8	177.9	-136.2	0	0	111.5	V269 R273 C274 S303 L310 A311	V269-E307 HydrophobicContact CG1-CG 4.46Å; R273-E307 IonicContact CZ-OE1 2.74Å; R273-E307 IonicContact CZ-OE2 3.18Å; R273-E307 IonicContact NH1-OE1 2.74Å; R273-E307 PolarHBondContact NH1-OE1 3.49Å; R273-E307 IonicContact NH1-OE2 3.77Å; R273-E307 PolarHBondContact NH1-OE2 3.05Å; C274-E307 VanDerWaalsContact SG-C 3.56Å; S303-E307 WeakPolarHBondContact O-CB 3.45Å; S303-E307 WeakPolarHBondContact O-CG 3.16Å; S303-E307 PolarHBondContact O-N 2.89Å; E307-L310 PolarHBondContact O-N 2.79Å; E307-A311 WeakPolarHBondContact O-CB 3.34Å; E307-A311 PolarHBondContact O-N 3.36Å
308	T	96.4	Very high	94.3	Very high	6 Å²	6	14.4 Å²	14.4	4%	0.037	9%	0.087	C	C	.	.	H	α-helix	trans	-69.4	-40	-178.2	-58.9	0	0	0	0	112.7	V297 E304 S305 S306 A311 L312 I371	V297-T308 HydrophobicContact CG1-CG2 3.77Å; V297-T308 HydrophobicContact CG2-CG2 4.26Å; E304-T308 WeakPolarHBondContact O-CB 3.33Å; E304-T308 PolarHBondContact O-N 2.91Å; E304-T308 PolarHBondContact O-OG1 3.19Å; S305-T308 PolarHBondContact O-N 3.36Å; S306-T308 PolarHBondContact O-N 3.28Å; T308-A311 PolarHBondContact O-N 2.84Å; T308-L312 HydrophobicContact CG2-CD1 4.16Å; T308-L312 WeakPolarHBondContact O-CG 3.18Å; T308-L312 PolarHBondContact O-N 2.85Å; T308-I371 HydrophobicContact CG2-CD1 4.22Å; T308-I371 HydrophobicContact CG2-CG1 4.19Å
309	V	97.8	Very high	94.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.6	-43	175.4	172	0	0	0	0	111	V297 S305 A311 L312 V313 F325 P327 I350	V297-V309 HydrophobicContact CB-CG2 4.14Å; V297-V309 HydrophobicContact CG2-CG2 3.96Å; S305-V309 WeakPolarHBondContact O-CG2 3.48Å; S305-V309 PolarHBondContact O-N 3.33Å; V309-A311 VanDerWaalsContact C-N 3.34Å; V309-L312 PolarHBondContact O-N 3.16Å; V309-V313 WeakPolarHBondContact O-CG2 3.46Å; V309-V313 PolarHBondContact O-N 2.95Å; V309-F325 HydrophobicContact CG1-CB 4.2Å; V309-F325 HydrophobicContact CG1-CD2 4.17Å; V309-P327 HydrophobicContact CB-CB 4.38Å; V309-P327 HydrophobicContact CG1-CB 4.41Å; V309-P327 HydrophobicContact CG1-CG 4.46Å; V309-I350 HydrophobicContact CB-CG2 4.42Å; V309-I350 HydrophobicContact CG1-CB 4.18Å; V309-I350 HydrophobicContact CG1-CG2 3.93Å; V309-I350 HydrophobicContact CG2-CG2 4Å
310	L	95.9	Very high	94.3	Very high	9 Å²	9	16.2 Å²	16.2	5%	0.047	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-38.1	174.4	-70.5	169.3	0	0	0	112.1	C115 I182 V269 S306 E307 L312 V313 N314 F325 P327	C115-L310 VanDerWaalsContact SG-CD1 3.59Å; I182-L310 HydrophobicContact CB-CD1 4.41Å; I182-L310 HydrophobicContact CD1-CD1 3.89Å; I182-L310 HydrophobicContact CD1-CD2 4.11Å; I182-L310 HydrophobicContact CG1-CD1 3.82Å; I182-L310 HydrophobicContact CG1-CD2 4.42Å; I182-L310 HydrophobicContact CG2-CD1 3.77Å; V269-L310 HydrophobicContact CG1-CB 4.11Å; V269-L310 HydrophobicContact CG1-CD1 4.08Å; V269-L310 HydrophobicContact CG2-CB 4.36Å; S306-L310 WeakPolarHBondContact O-CB 3.38Å; S306-L310 WeakPolarHBondContact O-CD1 3.33Å; S306-L310 VanDerWaalsContact O-CG 3.26Å; S306-L310 WeakPolarHBondContact O-CG 3.33Å; S306-L310 PolarHBondContact O-N 3.37Å; E307-L310 PolarHBondContact O-N 2.79Å; L310-L312 VanDerWaalsContact C-N 3.33Å; L310-V313 PolarHBondContact O-N 3.24Å; L310-N314 WeakPolarHBondContact O-CB 3.25Å; L310-N314 PolarHBondContact O-N 2.78Å; L310-N314 PolarHBondContact O-ND2 2.9Å; L310-F325 HydrophobicContact CD2-CE2 4.05Å; L310-P327 HydrophobicContact CD2-CG 4.28Å; L310-P327 HydrophobicContact CG-CB 4.42Å; L310-P327 HydrophobicContact CG-CG 4.35Å
311	A	95.8	Very high	94.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64	-38	175.6	0	0	0	0	0	112	V269 I271 C274 F275 E307 T308 V309 C315	V269-A311 HydrophobicContact CG2-CB 3.83Å; I271-A311 HydrophobicContact CB-CB 4.42Å; I271-A311 HydrophobicContact CG1-CB 4.13Å; C274-A311 HydrophobicContact CB-CB 3.67Å; F275-A311 HydrophobicContact CD2-CB 4.27Å; F275-A311 HydrophobicContact CE2-CB 3.93Å; E307-A311 WeakPolarHBondContact O-CB 3.34Å; E307-A311 PolarHBondContact O-N 3.36Å; T308-A311 PolarHBondContact O-N 2.84Å; V309-A311 VanDerWaalsContact C-N 3.34Å; A311-C315 PolarHBondContact O-N 3.03Å
312	L	97.1	Very high	94.7	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-66.1	-51.8	172.8	-74.8	161.1	0	0	0	111.2	F275 L285 V289 L295 V297 T308 V309 L310 N314 C315 I350 I369	F275-L312 HydrophobicContact CZ-CD2 3.91Å; F275-L312 HydrophobicContact CZ-CG 4.44Å; L285-L312 HydrophobicContact CB-CD2 4.14Å; L285-L312 HydrophobicContact CD1-CD2 4.42Å; V289-L312 WeakPolarHBondContact CG1-O 3.4Å; V289-L312 HydrophobicContact CG2-CB 4.05Å; V289-L312 HydrophobicContact CG2-CD2 4.1Å; L295-L312 HydrophobicContact CD2-CD1 3.97Å; L295-L312 HydrophobicContact CD2-CD2 4.4Å; V297-L312 HydrophobicContact CG2-CD1 3.53Å; T308-L312 HydrophobicContact CG2-CD1 4.16Å; T308-L312 WeakPolarHBondContact O-CG 3.18Å; T308-L312 PolarHBondContact O-N 2.85Å; V309-L312 PolarHBondContact O-N 3.16Å; L310-L312 VanDerWaalsContact C-N 3.33Å; L312-N314 VanDerWaalsContact C-N 3.26Å; L312-N314 PolarHBondContact O-N 3.46Å; L312-C315 WeakPolarHBondContact O-CB 3.18Å; L312-C315 PolarHBondContact O-N 2.81Å; L312-C315 PolarHBondContact O-SG 2.59Å; L312-I350 HydrophobicContact CB-CD1 4.13Å; L312-I350 HydrophobicContact CD1-CG2 4.35Å; L312-I369 HydrophobicContact CD1-CD1 3.85Å; L312-I369 HydrophobicContact CD2-CD1 4.25Å
313	V	95.6	Very high	94.7	Very high	20 Å²	20	18.4 Å²	18.4	12%	0.121	10%	0.097	C	C	.	.	H	α-helix	trans	-55.4	-42.1	177.8	167.8	0	0	0	0	111.5	V309 L310 C315 Y321 F325 I350	V309-V313 WeakPolarHBondContact O-CG2 3.46Å; V309-V313 PolarHBondContact O-N 2.95Å; L310-V313 PolarHBondContact O-N 3.24Å; V313-C315 VanDerWaalsContact C-N 3.31Å; V313-C315 PolarHBondContact O-N 2.85Å; V313-Y321 HydrophobicContact CG1-CD1 4.49Å; V313-Y321 HydrophobicContact CG1-CG 4.38Å; V313-Y321 HydrophobicContact CG2-CD1 4.05Å; V313-Y321 HydrophobicContact CG2-CE1 4.4Å; V313-Y321 HydrophobicContact CG2-CG 4.41Å; V313-F325 HydrophobicContact CG2-CB 4.03Å; V313-F325 HydrophobicContact CG2-CD1 4.13Å; V313-F325 HydrophobicContact CG2-CD2 4.01Å; V313-F325 HydrophobicContact CG2-CG 3.79Å; V313-I350 HydrophobicContact CG2-CD1 4.08Å
314	N	92.6	Very high	94.7	Very high	44 Å²	44	18.5 Å²	18.5	24%	0.235	10%	0.097	C	C	.	.	H	α-helix	trans	-74	-13.8	178.8	-74.2	-48.7	0	0	0	114.6	L310 L312 I316 S317	L310-N314 WeakPolarHBondContact O-CB 3.25Å; L310-N314 PolarHBondContact O-N 2.78Å; L310-N314 PolarHBondContact O-ND2 2.9Å; L312-N314 VanDerWaalsContact C-N 3.26Å; L312-N314 PolarHBondContact O-N 3.46Å; N314-I316 PolarHBondContact O-N 2.89Å; N314-S317 VanDerWaalsContact O-CB 3.32Å; N314-S317 WeakPolarHBondContact O-CB 3.45Å; N314-S317 PolarHBondContact O-N 2.83Å; N314-S317 VanDerWaalsContact O-N 3.12Å
315	C	95.3	Very high	94.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-13.8	-176.9	85.4	0	0	0	0	113.9	F275 W286 A311 L312 V313 F440	F275-C315 HydrophobicContact CZ-CB 4.14Å; W286-C315 VanDerWaalsContact CD1-O 3.26Å; A311-C315 PolarHBondContact O-N 3.03Å; L312-C315 WeakPolarHBondContact O-CB 3.18Å; L312-C315 PolarHBondContact O-N 2.81Å; L312-C315 PolarHBondContact O-SG 2.59Å; V313-C315 VanDerWaalsContact C-N 3.31Å; V313-C315 PolarHBondContact O-N 2.85Å; C315-F440 HydrophobicContact CB-CD1 4.13Å; C315-F440 HydrophobicContact CB-CD2 3.77Å; C315-F440 HydrophobicContact CB-CE1 4.12Å; C315-F440 HydrophobicContact CB-CE2 3.72Å; C315-F440 HydrophobicContact CB-CG 3.98Å; C315-F440 HydrophobicContact CB-CZ 3.91Å; C315-F440 WeakPolarHBondContact O-CB 3.24Å
316	I	95.9	Very high	95	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	11.1	172.7	63.1	162.2	0	0	0	113.5	V289 L290 N314 L319 Y321 T444	V289-I316 HydrophobicContact CB-CG2 4.06Å; V289-I316 HydrophobicContact CG1-CB 4.47Å; V289-I316 HydrophobicContact CG1-CD1 4.09Å; V289-I316 HydrophobicContact CG1-CG1 3.97Å; V289-I316 HydrophobicContact CG1-CG2 3.72Å; L290-I316 HydrophobicContact CB-CG2 4.07Å; N314-I316 PolarHBondContact O-N 2.89Å; I316-L319 HydrophobicContact CD1-CB 4.32Å; I316-L319 HydrophobicContact CD1-CD2 4.24Å; I316-L319 HydrophobicContact CD1-CG 4.47Å; I316-L319 WeakPolarHBondContact O-CA 3.47Å; I316-L319 WeakPolarHBondContact O-CB 3.15Å; I316-L319 PolarHBondContact O-N 2.89Å; I316-Y321 HydrophobicContact CD1-CD2 3.92Å; I316-T444 WeakPolarHBondContact O-CG2 3.42Å
317	S	92.1	Very high	95	Very high	30 Å²	30	18.2 Å²	18.2	21%	0.21	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	132.1	175.6	-169.6	0	0	0	0	110.5	Y142 N314	Y142-S317 WeakPolarHBondContact CD1-OG 3.43Å; N314-S317 VanDerWaalsContact O-CB 3.32Å; N314-S317 WeakPolarHBondContact O-CB 3.45Å; N314-S317 PolarHBondContact O-N 2.83Å; N314-S317 VanDerWaalsContact O-N 3.12Å
318	P	91.5	Very high	95.1	Very high	43 Å²	43	16.8 Å²	16.8	28%	0.279	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.7	5.9	19.5	37.6	-37.2	0	0	0	115.9	Q445 I448	P318-Q445 HydrophobicContact CG-CG 4.36Å; P318-I448 HydrophobicContact CG-CD1 3.98Å
319	L	93.7	Very high	95.1	Very high	10 Å²	10	16.5 Å²	16.5	5%	0.052	9%	0.086	C	C	.	.	S	Bend	trans	-67	140.9	174.2	-164.1	65.3	0	0	0	109.9	L290 I316 T444 I448 F508 W517	L290-L319 HydrophobicContact CD1-CD2 3.52Å; I316-L319 HydrophobicContact CD1-CB 4.32Å; I316-L319 HydrophobicContact CD1-CD2 4.24Å; I316-L319 HydrophobicContact CD1-CG 4.47Å; I316-L319 WeakPolarHBondContact O-CA 3.47Å; I316-L319 WeakPolarHBondContact O-CB 3.15Å; I316-L319 PolarHBondContact O-N 2.89Å; L319-T444 HydrophobicContact CB-CG2 4.1Å; L319-I448 HydrophobicContact CB-CD1 4.09Å; L319-I448 HydrophobicContact CD1-CD1 4.33Å; L319-I448 HydrophobicContact CD1-CG1 4.46Å; L319-F508 HydrophobicContact CD2-CE2 3.88Å; L319-F508 HydrophobicContact CD2-CZ 3.87Å; L319-W517 HydrophobicContact CD1-CB 4.14Å; L319-W517 VanDerWaalsContact CD1-CD1 3.46Å; L319-W517 HydrophobicContact CD1-CG 3.86Å
320	K	93	Very high	94.9	Very high	54 Å²	54	16.6 Å²	16.6	24%	0.235	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-74.7	135.3	168.1	-143.9	-179	-176.8	174.9	0	109.5	V141 K144 F322	V141-K320 HydrophobicContact CG1-CB 3.44Å; V141-K320 VanDerWaalsContact CG1-CB 3.44Å; V141-K320 HydrophobicContact CG1-CD 4.2Å; V141-K320 HydrophobicContact CG1-CG 3.76Å; V141-K320 WeakPolarHBondContact O-CE 3.5Å; K144-K320 PolarHBondContact O-NZ 2.88Å; K320-F322 HydrophobicContact CB-CD2 3.88Å; K320-F322 HydrophobicContact CB-CE2 3.49Å; K320-F322 VanDerWaalsContact CB-CE2 3.49Å; K320-F322 HydrophobicContact CB-CZ 3.85Å; K320-F322 HydrophobicContact CD-CD1 4.47Å; K320-F322 HydrophobicContact CD-CE1 4.02Å; K320-F322 HydrophobicContact CD-CE2 4.49Å; K320-F322 HydrophobicContact CD-CZ 4.02Å; K320-F322 HydrophobicContact CG-CE2 4.48Å; K320-F322 HydrophobicContact CG-CZ 4.49Å; K320-F322 WeakPolarHBondContact O-CD2 3.37Å
321	Y	95.1	Very high	94.7	Very high	15 Å²	15	18.8 Å²	18.8	6%	0.059	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-73.8	120.5	157.6	-164.2	-107	0	0	0	108.2	V289 V313 I316 S323 D324 F325 I350	V289-Y321 HydrophobicContact CG1-CD2 3.65Å; V289-Y321 HydrophobicContact CG1-CE2 3.74Å; V289-Y321 VanDerWaalsContact O-CE2 3.28Å; V289-Y321 WeakPolarHBondContact O-CE2 3.38Å; V313-Y321 HydrophobicContact CG1-CD1 4.49Å; V313-Y321 HydrophobicContact CG1-CG 4.38Å; V313-Y321 HydrophobicContact CG2-CD1 4.05Å; V313-Y321 HydrophobicContact CG2-CE1 4.4Å; V313-Y321 HydrophobicContact CG2-CG 4.41Å; I316-Y321 HydrophobicContact CD1-CD2 3.92Å; Y321-S323 VanDerWaalsContact CD1-O 3.24Å; Y321-S323 WeakPolarHBondContact CD1-O 3.1Å; Y321-S323 VanDerWaalsContact CE1-O 3.25Å; Y321-S323 WeakPolarHBondContact CE1-O 3.46Å; Y321-S323 WeakPolarHBondContact OH-CB 3.48Å; Y321-D324 WeakPolarHBondContact CE1-O 3.3Å; Y321-F325 HydrophobicContact CD1-CD1 4.14Å; Y321-F325 HydrophobicContact CE1-CB 4.32Å; Y321-I350 HydrophobicContact CE1-CD1 4.27Å; Y321-I350 HydrophobicContact CE1-CG1 4.19Å; Y321-I350 HydrophobicContact CE2-CD1 4.27Å; Y321-I350 VanDerWaalsContact OH-CG1 3.29Å; Y321-I350 WeakPolarHBondContact OH-CG1 3.05Å
322	F	93.4	Very high	94.5	Very high	76 Å²	76	23.3 Å²	23.3	33%	0.333	12%	0.119	S	C	.	.			trans	-107.6	-10.2	-179.8	-77.1	-82.8	0	0	0	113.3	K320 N513 G516 W517 T520	K320-F322 HydrophobicContact CB-CD2 3.88Å; K320-F322 HydrophobicContact CB-CE2 3.49Å; K320-F322 VanDerWaalsContact CB-CE2 3.49Å; K320-F322 HydrophobicContact CB-CZ 3.85Å; K320-F322 HydrophobicContact CD-CD1 4.47Å; K320-F322 HydrophobicContact CD-CE1 4.02Å; K320-F322 HydrophobicContact CD-CE2 4.49Å; K320-F322 HydrophobicContact CD-CZ 4.02Å; K320-F322 HydrophobicContact CG-CE2 4.48Å; K320-F322 HydrophobicContact CG-CZ 4.49Å; K320-F322 WeakPolarHBondContact O-CD2 3.37Å; F322-N513 PolarHBondContact N-OD1 3.3Å; F322-G516 WeakPolarHBondContact CZ-O 3.35Å; F322-W517 HydrophobicContact CE2-CB 4.19Å; F322-T520 WeakPolarHBondContact CZ-OG1 3.3Å
323	S	94.1	Very high	94.2	Very high	9 Å²	9	23.5 Å²	23.5	6%	0.063	12%	0.12	C	C	.	.	S	Bend	trans	-74.1	163.6	169.3	-54.6	0	0	0	0	110.3	Y321 S348 N513	Y321-S323 VanDerWaalsContact CD1-O 3.24Å; Y321-S323 WeakPolarHBondContact CD1-O 3.1Å; Y321-S323 VanDerWaalsContact CE1-O 3.25Å; Y321-S323 WeakPolarHBondContact CE1-O 3.46Å; Y321-S323 WeakPolarHBondContact OH-CB 3.48Å; S323-S348 WeakPolarHBondContact CB-O 3.11Å; S323-N513 PolarHBondContact N-OD1 3.26Å
324	D	94.6	Very high	93.9	Very high	18 Å²	18	25.2 Å²	25.2	10%	0.096	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	157.7	-177.6	-164	7.3	0	0	0	111.2	R117 R119 Y149 Y321 R326 Y339 S348 V349 I350	R117-D324 IonicContact CZ-OD1 2.75Å; R117-D324 IonicContact NH1-OD1 3.69Å; R117-D324 PolarHBondContact NH1-OD1 3.36Å; R117-D324 IonicContact NH2-OD1 3.97Å; R119-D324 IonicContact CZ-OD2 3.72Å; R119-D324 IonicContact NH2-OD2 2.79Å; R119-D324 PolarHBondContact NH2-OD2 3.4Å; Y149-D324 PolarHBondContact OH-OD1 2.94Å; Y149-D324 PolarHBondContact OH-OD2 3.27Å; Y321-D324 WeakPolarHBondContact CE1-O 3.3Å; D324-R326 IonicContact OD1-NE 2.79Å; D324-R326 IonicContact OD2-CZ 2.96Å; D324-R326 IonicContact OD2-NE 2.71Å; D324-R326 PolarHBondContact OD2-NE 2.86Å; D324-R326 IonicContact OD2-NH2 2.68Å; D324-R326 PolarHBondContact OD2-NH2 3.18Å; D324-Y339 PolarHBondContact OD2-OH 3.4Å; D324-S348 PolarHBondContact N-O 3.05Å; D324-V349 HydrophobicContact CB-CB 4.19Å; D324-V349 HydrophobicContact CB-CG2 3.91Å; D324-V349 WeakPolarHBondContact O-CA 3.12Å; D324-V349 WeakPolarHBondContact O-CG2 3.32Å; D324-I350 PolarHBondContact O-N 2.86Å; D324-I350 VanDerWaalsContact O-N 3.14Å
325	F	96.8	Very high	93.8	Very high	17 Å²	17	23.6 Å²	23.6	8%	0.075	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	139.2	170.8	67.7	-81.6	0	0	0	111.8	R117 Y151 V309 L310 V313 Y321 P327 I350	R117-F325 PolarHBondContact NH1-O 3.08Å; Y151-F325 HydrophobicContact CE1-CE2 4.46Å; Y151-F325 HydrophobicContact CE1-CZ 4.36Å; V309-F325 HydrophobicContact CG1-CB 4.2Å; V309-F325 HydrophobicContact CG1-CD2 4.17Å; L310-F325 HydrophobicContact CD2-CE2 4.05Å; V313-F325 HydrophobicContact CG2-CB 4.03Å; V313-F325 HydrophobicContact CG2-CD1 4.13Å; V313-F325 HydrophobicContact CG2-CD2 4.01Å; V313-F325 HydrophobicContact CG2-CG 3.79Å; Y321-F325 HydrophobicContact CD1-CD1 4.14Å; Y321-F325 HydrophobicContact CE1-CB 4.32Å; F325-P327 HydrophobicContact CD2-CG 3.84Å; F325-P327 HydrophobicContact CE2-CG 3.93Å; F325-I350 CarbonylContact C-O 3.59Å; F325-I350 WeakPolarHBondContact CA-O 3.34Å; F325-I350 HydrophobicContact CB-CB 4.26Å
326	R	96.9	Very high	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	99.1	177.9	-54.2	-61.3	174	115.3	-1.5	107.9	R117 D324 Y328 F329 D333 E335 Y339 I350 L351 G352	R117-R326 VanDerWaalsContact O-CD 3.24Å; R117-R326 WeakPolarHBondContact O-CD 3.44Å; D324-R326 IonicContact OD1-NE 2.79Å; D324-R326 IonicContact OD2-CZ 2.96Å; D324-R326 IonicContact OD2-NE 2.71Å; D324-R326 PolarHBondContact OD2-NE 2.86Å; D324-R326 IonicContact OD2-NH2 2.68Å; D324-R326 PolarHBondContact OD2-NH2 3.18Å; R326-Y328 PolarHBondContact O-N 3.45Å; R326-F329 HydrophobicContact CB-CB 3.99Å; R326-F329 HydrophobicContact CB-CD2 4.19Å; R326-F329 HydrophobicContact CB-CG 4.43Å; R326-F329 HydrophobicContact CG-CD2 4.09Å; R326-D333 IonicContact NH1-OD2 2.83Å; R326-E335 IonicContact CZ-OE1 3.6Å; R326-E335 IonicContact CZ-OE2 3.53Å; R326-E335 IonicContact NH1-OE1 2.82Å; R326-E335 IonicContact NH1-OE2 3.62Å; R326-E335 PolarHBondContact NH1-OE2 3.27Å; R326-E335 VanDerWaalsContact NH2-CD 3.28Å; R326-E335 IonicContact NH2-OE1 3.55Å; R326-E335 PolarHBondContact NH2-OE1 3.14Å; R326-E335 IonicContact NH2-OE2 3.2Å; R326-E335 PolarHBondContact NH2-OE2 3.44Å; R326-Y339 PolarHBondContact NE-OH 2.91Å; R326-Y339 PolarHBondContact NH2-OH 2.82Å; R326-I350 PolarHBondContact N-O 3.21Å; R326-L351 HydrophobicContact CB-CD2 3.89Å; R326-L351 HydrophobicContact CG-CD2 3.71Å; R326-G352 PolarHBondContact O-N 2.67Å
327	P	97	Very high	93.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-60.8	-35	-177.6	-23.1	32.9	0	0	0	113	R117 S305 S306 V309 L310 F325	R117-P327 HydrophobicContact CB-CG 4.45Å; S305-P327 CarbonylContact C-O 3.6Å; S305-P327 VanDerWaalsContact C-O 3.3Å; S305-P327 PolarHBondContact OG-O 2.6Å; S306-P327 WeakPolarHBondContact CA-O 3.35Å; S306-P327 PolarHBondContact N-O 3Å; V309-P327 HydrophobicContact CB-CB 4.38Å; V309-P327 HydrophobicContact CG1-CB 4.41Å; V309-P327 HydrophobicContact CG1-CG 4.46Å; L310-P327 HydrophobicContact CD2-CG 4.28Å; L310-P327 HydrophobicContact CG-CB 4.42Å; L310-P327 HydrophobicContact CG-CG 4.35Å; F325-P327 HydrophobicContact CD2-CG 3.84Å; F325-P327 HydrophobicContact CE2-CG 3.93Å
328	Y	96.8	Very high	93.2	Very high	1 Å²	1	37 Å²	37	0%	0.004	18%	0.18	C	C	.	.	S	Bend	trans	-132.9	136.9	165.4	-168.8	-125.6	0	0	0	109.7	D103 F114 P302 R326 T330 G352 T354	D103-Y328 VanDerWaalsContact CB-OH 3.28Å; D103-Y328 WeakPolarHBondContact CB-OH 3.27Å; D103-Y328 PolarHBondContact N-OH 2.89Å; F114-Y328 AromaticContact CD2-CD1 3.94Å; F114-Y328 HydrophobicContact CD2-CD1 3.94Å; F114-Y328 HydrophobicContact CD2-CG 4.26Å; F114-Y328 AromaticContact CE2-CD1 3.62Å; F114-Y328 HydrophobicContact CE2-CD1 3.62Å; F114-Y328 AromaticContact CE2-CE1 3.94Å; F114-Y328 HydrophobicContact CE2-CE1 3.94Å; F114-Y328 HydrophobicContact CE2-CG 4.39Å; P302-Y328 HydrophobicContact CB-CD1 4.35Å; P302-Y328 HydrophobicContact CB-CD2 3.99Å; P302-Y328 HydrophobicContact CB-CE1 4.2Å; P302-Y328 HydrophobicContact CB-CE2 3.87Å; P302-Y328 HydrophobicContact CB-CG 4.24Å; P302-Y328 HydrophobicContact CG-CE1 4.32Å; P302-Y328 HydrophobicContact CG-CE2 4.01Å; R326-Y328 PolarHBondContact O-N 3.45Å; Y328-T330 HydrophobicContact CD1-CG2 4.08Å; Y328-T330 HydrophobicContact CE1-CG2 3.45Å; Y328-T330 VanDerWaalsContact CE1-CG2 3.45Å; Y328-G352 CarbonylContact C-O 3.59Å; Y328-T354 HydrophobicContact CE2-CG2 3.8Å; Y328-T354 WeakPolarHBondContact CE2-OG1 3.36Å; Y328-T354 PolarHBondContact OH-OG1 2.89Å
329	F	95.8	Very high	93.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.167	C	C	.	.			trans	-146	135.8	-174.5	-174.5	-105.4	0	0	0	109	R326 D333 F336 Y339 L351 G352 V353 F358	R326-F329 HydrophobicContact CB-CB 3.99Å; R326-F329 HydrophobicContact CB-CD2 4.19Å; R326-F329 HydrophobicContact CB-CG 4.43Å; R326-F329 HydrophobicContact CG-CD2 4.09Å; F329-D333 HydrophobicContact CD2-CB 3.91Å; F329-D333 WeakPolarHBondContact CD2-OD2 3.35Å; F329-D333 HydrophobicContact CE2-CB 3.56Å; F329-D333 VanDerWaalsContact CE2-CG 3.49Å; F329-D333 WeakPolarHBondContact CE2-OD2 3.4Å; F329-D333 HydrophobicContact CZ-CB 4.18Å; F329-F336 HydrophobicContact CE1-CD2 4.32Å; F329-Y339 HydrophobicContact CE1-CD2 4.5Å; F329-Y339 AromaticContact CE2-CD2 3.74Å; F329-Y339 HydrophobicContact CE2-CD2 3.74Å; F329-Y339 HydrophobicContact CE2-CE2 4.01Å; F329-Y339 AromaticContact CZ-CD2 3.53Å; F329-Y339 HydrophobicContact CZ-CD2 3.53Å; F329-Y339 HydrophobicContact CZ-CE2 4.28Å; F329-Y339 HydrophobicContact CZ-CG 4.28Å; F329-L351 HydrophobicContact CD1-CD2 4.45Å; F329-L351 HydrophobicContact CD2-CD2 4.46Å; F329-L351 HydrophobicContact CG-CD2 4.3Å; F329-G352 WeakPolarHBondContact CB-O 3.36Å; F329-G352 PolarHBondContact N-O 3.19Å; F329-V353 HydrophobicContact CB-CG1 4.19Å; F329-V353 HydrophobicContact CD1-CG1 4.04Å; F329-F358 AromaticContact CD1-CE1 3.94Å; F329-F358 HydrophobicContact CD1-CE1 3.94Å; F329-F358 AromaticContact CD1-CZ 3.78Å; F329-F358 HydrophobicContact CD1-CZ 3.78Å; F329-F358 AromaticContact CE1-CE1 3.84Å; F329-F358 HydrophobicContact CE1-CE1 3.84Å; F329-F358 AromaticContact CE1-CZ 3.98Å; F329-F358 HydrophobicContact CE1-CZ 3.98Å
330	T	94.2	Very high	92.9	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	17%	0.171	C	C	.	.			trans	-126.4	165.5	-171.4	68.3	0	0	0	0	111.6	L99 D103 Y328 H332 D333	L99-T330 HydrophobicContact CD2-CG2 4.08Å; D103-T330 HydrophobicContact CB-CG2 3.79Å; D103-T330 WeakPolarHBondContact OD2-CA 3.47Å; D103-T330 WeakPolarHBondContact OD2-CB 3.29Å; Y328-T330 HydrophobicContact CD1-CG2 4.08Å; Y328-T330 HydrophobicContact CE1-CG2 3.45Å; Y328-T330 VanDerWaalsContact CE1-CG2 3.45Å; T330-H332 PolarHBondContact O-N 2.85Å; T330-H332 VanDerWaalsContact O-N 3.07Å; T330-H332 PolarHBondContact OG1-N 2.68Å; T330-D333 PolarHBondContact O-N 2.82Å
331	I	92.3	Very high	92.6	Very high	55 Å²	55	35.3 Å²	35.3	28%	0.282	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.9	175.9	68.1	177.1	0	0	0	113.8	D103 F336 F357 F358	D103-I331 PolarHBondContact OD2-N 2.79Å; I331-F336 HydrophobicContact CB-CE2 4.22Å; I331-F336 HydrophobicContact CG2-CE2 4.23Å; I331-F357 HydrophobicContact CG2-CD1 3.72Å; I331-F357 HydrophobicContact CG2-CE1 4.33Å; I331-F358 HydrophobicContact CG2-CD2 4.44Å; I331-F358 HydrophobicContact CG2-CE2 3.75Å; I331-F358 HydrophobicContact CG2-CZ 3.92Å
332	H	90.9	Very high	92.1	Very high	95 Å²	95	41.6 Å²	41.6	44%	0.44	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-2	-176.6	-62.7	-75.1	0	0	0	113.9	Y98 T330 S334	Y98-H332 HydrophobicContact CD1-CB 3.98Å; Y98-H332 HydrophobicContact CD2-CB 3.77Å; Y98-H332 HydrophobicContact CE2-CB 4.36Å; Y98-H332 HydrophobicContact CG-CB 3.55Å; T330-H332 PolarHBondContact O-N 2.85Å; T330-H332 VanDerWaalsContact O-N 3.07Å; T330-H332 PolarHBondContact OG1-N 2.68Å; H332-S334 PolarHBondContact O-N 3.33Å
333	D	91.2	Very high	91.6	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.032	22%	0.217	C	C	.	.			trans	-59.1	134.4	176.2	-170.6	-46	0	0	0	110.4	R326 F329 T330 E335 F336	R326-D333 IonicContact NH1-OD2 2.83Å; F329-D333 HydrophobicContact CD2-CB 3.91Å; F329-D333 WeakPolarHBondContact CD2-OD2 3.35Å; F329-D333 HydrophobicContact CE2-CB 3.56Å; F329-D333 VanDerWaalsContact CE2-CG 3.49Å; F329-D333 WeakPolarHBondContact CE2-OD2 3.4Å; F329-D333 HydrophobicContact CZ-CB 4.18Å; T330-D333 PolarHBondContact O-N 2.82Å; D333-E335 PolarHBondContact O-N 3.45Å; D333-E335 WeakPolarHBondContact OD1-CB 3.42Å; D333-E335 PolarHBondContact OD1-N 3.48Å; D333-F336 WeakPolarHBondContact O-CB 3.38Å; D333-F336 PolarHBondContact O-N 2.89Å
334	S	88.1	Confident	91.1	Very high	55 Å²	55	50.3 Å²	50.3	39%	0.385	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-22	175.5	66.8	0	0	0	0	115.2	K91 N95 H332	K91-S334 WeakPolarHBondContact CE-OG 3.49Å; K91-S334 PolarHBondContact NZ-OG 2.97Å; N95-S334 PolarHBondContact ND2-OG 3.27Å; N95-S334 WeakPolarHBondContact OD1-CB 3.45Å; N95-S334 PolarHBondContact OD1-OG 3.49Å; H332-S334 PolarHBondContact O-N 3.33Å
335	E	90.3	Very high	90.6	Very high	11 Å²	11	53.6 Å²	53.6	5%	0.051	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	7	-177.6	-61.3	165.6	87.4	0	0	112	R119 R326 D333 K337 E338 Y339	R119-E335 WeakPolarHBondContact CD-OE1 3.45Å; R119-E335 IonicContact CZ-OE1 2.77Å; R119-E335 IonicContact NE-OE1 3.17Å; R119-E335 PolarHBondContact NE-OE1 3.07Å; R119-E335 VanDerWaalsContact NE-OE1 3.08Å; R119-E335 IonicContact NH1-OE1 3.47Å; R119-E335 PolarHBondContact NH1-OE1 2.93Å; R119-E335 IonicContact NH2-OE1 3.49Å; R326-E335 IonicContact CZ-OE1 3.6Å; R326-E335 IonicContact CZ-OE2 3.53Å; R326-E335 IonicContact NH1-OE1 2.82Å; R326-E335 IonicContact NH1-OE2 3.62Å; R326-E335 PolarHBondContact NH1-OE2 3.27Å; R326-E335 VanDerWaalsContact NH2-CD 3.28Å; R326-E335 IonicContact NH2-OE1 3.55Å; R326-E335 PolarHBondContact NH2-OE1 3.14Å; R326-E335 IonicContact NH2-OE2 3.2Å; R326-E335 PolarHBondContact NH2-OE2 3.44Å; D333-E335 PolarHBondContact O-N 3.45Å; D333-E335 WeakPolarHBondContact OD1-CB 3.42Å; D333-E335 PolarHBondContact OD1-N 3.48Å; E335-K337 PolarHBondContact O-N 3.3Å; E335-E338 VanDerWaalsContact O-CB 3.25Å; E335-E338 WeakPolarHBondContact O-CB 3.27Å; E335-E338 PolarHBondContact O-N 3.28Å; E335-Y339 HydrophobicContact CB-CD2 4.27Å; E335-Y339 HydrophobicContact CB-CE2 3.78Å; E335-Y339 VanDerWaalsContact O-CD2 3.32Å; E335-Y339 WeakPolarHBondContact O-CD2 3.48Å; E335-Y339 PolarHBondContact O-N 3.48Å
336	F	91.6	Very high	90.2	Very high	41 Å²	41	54.6 Å²	54.6	18%	0.18	28%	0.284	C	S	.	.	H	α-helix	trans	-47.7	-39.1	178.3	-178.3	-92.1	0	0	0	113.8	F329 I331 D333 T340 F357 F358 T361	F329-F336 HydrophobicContact CE1-CD2 4.32Å; I331-F336 HydrophobicContact CB-CE2 4.22Å; I331-F336 HydrophobicContact CG2-CE2 4.23Å; D333-F336 WeakPolarHBondContact O-CB 3.38Å; D333-F336 PolarHBondContact O-N 2.89Å; F336-T340 HydrophobicContact CD1-CG2 4.25Å; F336-T340 HydrophobicContact CD2-CG2 4.01Å; F336-T340 HydrophobicContact CE1-CG2 3.85Å; F336-T340 WeakPolarHBondContact CE1-OG1 3.48Å; F336-T340 HydrophobicContact CE2-CG2 3.6Å; F336-T340 HydrophobicContact CG-CG2 4.31Å; F336-T340 HydrophobicContact CZ-CG2 3.49Å; F336-T340 VanDerWaalsContact CZ-CG2 3.49Å; F336-T340 WeakPolarHBondContact O-CB 3.29Å; F336-T340 VanDerWaalsContact O-CG2 3.27Å; F336-T340 WeakPolarHBondContact O-CG2 3.43Å; F336-T340 PolarHBondContact O-N 3.43Å; F336-T340 VanDerWaalsContact O-N 3.13Å; F336-T340 PolarHBondContact O-OG1 3.02Å; F336-F357 AromaticContact CZ-CE1 3.96Å; F336-F357 HydrophobicContact CZ-CE1 3.96Å; F336-F358 HydrophobicContact CD2-CE1 4.15Å; F336-F358 HydrophobicContact CD2-CZ 4.23Å; F336-F358 AromaticContact CE2-CE1 3.59Å; F336-F358 HydrophobicContact CE2-CE1 3.59Å; F336-F358 AromaticContact CE2-CZ 3.86Å; F336-F358 HydrophobicContact CE2-CZ 3.86Å; F336-T361 HydrophobicContact CZ-CG2 4.41Å
337	K	90.3	Very high	90	Very high	181 Å²	181	56.9 Å²	56.9	79%	0.787	30%	0.299	S	S	*	.	H	α-helix	trans	-73	-26.4	179.1	-63.1	-179.4	-176.8	174.6	0	113.9	E335	E335-K337 PolarHBondContact O-N 3.3Å
338	E	89.8	Confident	89.8	Confident	89 Å²	89	59 Å²	59	42%	0.416	31%	0.313	S	S	.	.	H	α-helix	trans	-64.6	-46.4	175.7	-172.7	175.1	134.9	0	0	109.9	R119 E335	R119-E338 IonicContact CZ-OE1 3.73Å; R119-E338 IonicContact CZ-OE2 3.62Å; R119-E338 VanDerWaalsContact NH1-CD 3.34Å; R119-E338 IonicContact NH1-OE1 3.77Å; R119-E338 PolarHBondContact NH1-OE1 2.89Å; R119-E338 IonicContact NH1-OE2 3.8Å; R119-E338 PolarHBondContact NH1-OE2 3.27Å; R119-E338 IonicContact NH2-OE1 2.71Å; R119-E338 PolarHBondContact NH2-OE1 3.48Å; E335-E338 VanDerWaalsContact O-CB 3.25Å; E335-E338 WeakPolarHBondContact O-CB 3.27Å; E335-E338 PolarHBondContact O-N 3.28Å
339	Y	90.1	Very high	89.8	Confident	4 Å²	4	59 Å²	59	2%	0.016	31%	0.314	C	S	.	.	H	α-helix	trans	-89.9	-16.2	-174.4	-56.6	-70.7	0	0	0	115.2	R119 D324 R326 F329 E335 P347 V349 L351 W365	R119-Y339 PolarHBondContact NH2-OH 3.06Å; D324-Y339 PolarHBondContact OD2-OH 3.4Å; R326-Y339 PolarHBondContact NE-OH 2.91Å; R326-Y339 PolarHBondContact NH2-OH 2.82Å; F329-Y339 HydrophobicContact CE1-CD2 4.5Å; F329-Y339 AromaticContact CE2-CD2 3.74Å; F329-Y339 HydrophobicContact CE2-CD2 3.74Å; F329-Y339 HydrophobicContact CE2-CE2 4.01Å; F329-Y339 AromaticContact CZ-CD2 3.53Å; F329-Y339 HydrophobicContact CZ-CD2 3.53Å; F329-Y339 HydrophobicContact CZ-CE2 4.28Å; F329-Y339 HydrophobicContact CZ-CG 4.28Å; E335-Y339 HydrophobicContact CB-CD2 4.27Å; E335-Y339 HydrophobicContact CB-CE2 3.78Å; E335-Y339 VanDerWaalsContact O-CD2 3.32Å; E335-Y339 WeakPolarHBondContact O-CD2 3.48Å; E335-Y339 PolarHBondContact O-N 3.48Å; Y339-P347 HydrophobicContact CD1-CG 3.76Å; Y339-P347 HydrophobicContact CE1-CG 4.08Å; Y339-V349 HydrophobicContact CD1-CG1 3.76Å; Y339-V349 HydrophobicContact CE1-CB 4.13Å; Y339-V349 HydrophobicContact CE1-CG1 3.79Å; Y339-V349 HydrophobicContact CE1-CG2 3.98Å; Y339-L351 HydrophobicContact CD1-CD1 4.4Å; Y339-L351 HydrophobicContact CD1-CD2 4.37Å; Y339-L351 HydrophobicContact CG-CD1 4.22Å; Y339-L351 HydrophobicContact CG-CD2 4.38Å; Y339-W365 VanDerWaalsContact O-CZ2 3.29Å; Y339-W365 WeakPolarHBondContact O-CZ2 3.25Å
340	T	88.5	Confident	89.9	Confident	21 Å²	21	59 Å²	59	13%	0.129	31%	0.314	C	S	.	.	H	α-helix	trans	-104.6	-2.6	-176.8	63.5	0	0	0	0	114.9	F336 T361 L362	F336-T340 HydrophobicContact CD1-CG2 4.25Å; F336-T340 HydrophobicContact CD2-CG2 4.01Å; F336-T340 HydrophobicContact CE1-CG2 3.85Å; F336-T340 WeakPolarHBondContact CE1-OG1 3.48Å; F336-T340 HydrophobicContact CE2-CG2 3.6Å; F336-T340 HydrophobicContact CG-CG2 4.31Å; F336-T340 HydrophobicContact CZ-CG2 3.49Å; F336-T340 VanDerWaalsContact CZ-CG2 3.49Å; F336-T340 WeakPolarHBondContact O-CB 3.29Å; F336-T340 VanDerWaalsContact O-CG2 3.27Å; F336-T340 WeakPolarHBondContact O-CG2 3.43Å; F336-T340 PolarHBondContact O-N 3.43Å; F336-T340 VanDerWaalsContact O-N 3.13Å; F336-T340 PolarHBondContact O-OG1 3.02Å; T340-T361 HydrophobicContact CG2-CG2 3.7Å; T340-L362 HydrophobicContact CG2-CD2 4Å
341	T	86.6	Confident	90.1	Very high	47 Å²	47	58.9 Å²	58.9	29%	0.288	31%	0.313	S	S	.	.			trans	-62.5	150.2	174.9	-171	0	0	0	0	112.2	T343	T341-T343 PolarHBondContact OG1-N 2.68Å; T341-T343 PolarHBondContact OG1-OG1 2.9Å
342	R	84.9	Confident	90.3	Very high	146 Å²	146	56.3 Å²	56.3	55%	0.551	30%	0.3	S	S	*	.	S	Bend	trans	-113.1	4.6	175.1	-63.8	-178.9	178.7	-175.2	-3	113	K360 T361	R342-K360 PolarHBondContact NH2-O 3.19Å; R342-K360 VanDerWaalsContact NH2-O 3.13Å; R342-T361 PolarHBondContact NH2-O 2.69Å
343	T	83.3	Confident	90.5	Very high	124 Å²	124	51.8 Å²	51.8	76%	0.761	28%	0.279	S	S	*	.	S	Bend	trans	-85.8	-12.3	-179.8	57.7	0	0	0	0	113.5	T341	T341-T343 PolarHBondContact OG1-N 2.68Å; T341-T343 PolarHBondContact OG1-OG1 2.9Å
344	Q	82.4	Confident	90.6	Very high	145 Å²	145	52.1 Å²	52.1	68%	0.678	28%	0.281	S	S	*	.	S	Bend	trans	-130.9	164.2	-178.7	-64.6	-179.3	-2.1	0	0	109.5
345	A	85.3	Confident	90.7	Very high	87 Å²	87	50.9 Å²	50.9	72%	0.719	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-65.2	144.2	168.4	0	0	0	0	0	109.8
346	P	87.9	Confident	90.5	Very high	37 Å²	37	52.9 Å²	52.9	24%	0.24	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-53.8	132.4	173.4	-28.6	37.1	0	0	0	111.5	P294 W365	P294-P346 HydrophobicContact CB-CB 3.75Å; P294-P346 HydrophobicContact CG-CB 3.97Å; P294-P346 WeakPolarHBondContact CG-O 3.31Å; P346-W365 HydrophobicContact CB-CD2 3.92Å; P346-W365 HydrophobicContact CB-CE3 4.33Å; P346-W365 HydrophobicContact CB-CG 4.32Å; P346-W365 HydrophobicContact CB-CH2 4.39Å; P346-W365 HydrophobicContact CB-CZ2 3.96Å; P346-W365 HydrophobicContact CG-CD2 4.31Å; P346-W365 HydrophobicContact CG-CG 4.19Å
347	P	91.9	Very high	90.4	Very high	49 Å²	49	55.9 Å²	55.9	32%	0.318	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-69.4	157.3	179.2	29.1	-34.6	0	0	0	111.2	P294 Y339 V349	P294-P347 WeakPolarHBondContact CB-O 3.43Å; P294-P347 WeakPolarHBondContact CG-O 3.48Å; Y339-P347 HydrophobicContact CD1-CG 3.76Å; Y339-P347 HydrophobicContact CE1-CG 4.08Å; P347-V349 HydrophobicContact CG-CG1 4.11Å; P347-V349 PolarHBondContact O-N 3.47Å
348	S	94	Very high	90.4	Very high	43 Å²	43	47.3 Å²	47.3	30%	0.301	26%	0.26	S	S	.	.	S	Bend	trans	-65	93.9	171.1	-69.7	0	0	0	0	110.7	G292 S323 D324	G292-S348 WeakPolarHBondContact O-CB 3.26Å; G292-S348 PolarHBondContact O-OG 2.78Å; S323-S348 WeakPolarHBondContact CB-O 3.11Å; D324-S348 PolarHBondContact N-O 3.05Å
349	V	96.1	Very high	90.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	148.1	178.3	64.2	0	0	0	0	111.6	L295 D324 Y339 P347 L351 W365	L295-V349 PolarHBondContact N-O 3.26Å; D324-V349 HydrophobicContact CB-CB 4.19Å; D324-V349 HydrophobicContact CB-CG2 3.91Å; D324-V349 WeakPolarHBondContact O-CA 3.12Å; D324-V349 WeakPolarHBondContact O-CG2 3.32Å; Y339-V349 HydrophobicContact CD1-CG1 3.76Å; Y339-V349 HydrophobicContact CE1-CB 4.13Å; Y339-V349 HydrophobicContact CE1-CG1 3.79Å; Y339-V349 HydrophobicContact CE1-CG2 3.98Å; P347-V349 HydrophobicContact CG-CG1 4.11Å; P347-V349 PolarHBondContact O-N 3.47Å; V349-L351 HydrophobicContact CG1-CD1 4.36Å; V349-L351 HydrophobicContact CG1-CD2 4.18Å; V349-L351 HydrophobicContact CG1-CG 3.99Å; V349-L351 HydrophobicContact CG2-CD2 3.64Å; V349-L351 HydrophobicContact CG2-CG 4.15Å; V349-W365 HydrophobicContact CG1-CH2 3.43Å; V349-W365 VanDerWaalsContact CG1-CH2 3.43Å; V349-W365 HydrophobicContact CG1-CZ3 3.82Å
350	I	98	Very high	90	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.9	163.5	-45.3	-176.4	0	0	0	109.6	V289 L295 V297 V309 L312 V313 Y321 D324 F325 R326	V289-I350 HydrophobicContact CG2-CD1 4.07Å; L295-I350 HydrophobicContact CB-CG1 4.39Å; L295-I350 HydrophobicContact CB-CG2 4.32Å; L295-I350 HydrophobicContact CD2-CD1 4.41Å; L295-I350 HydrophobicContact CD2-CG2 4.2Å; L295-I350 HydrophobicContact CG-CG2 4.27Å; L295-I350 CarbonylContact O-C 3.57Å; L295-I350 WeakPolarHBondContact O-CA 3.42Å; V297-I350 HydrophobicContact CG2-CG2 4.31Å; V309-I350 HydrophobicContact CB-CG2 4.42Å; V309-I350 HydrophobicContact CG1-CB 4.18Å; V309-I350 HydrophobicContact CG1-CG2 3.93Å; V309-I350 HydrophobicContact CG2-CG2 4Å; L312-I350 HydrophobicContact CB-CD1 4.13Å; L312-I350 HydrophobicContact CD1-CG2 4.35Å; V313-I350 HydrophobicContact CG2-CD1 4.08Å; Y321-I350 HydrophobicContact CE1-CD1 4.27Å; Y321-I350 HydrophobicContact CE1-CG1 4.19Å; Y321-I350 HydrophobicContact CE2-CD1 4.27Å; Y321-I350 VanDerWaalsContact OH-CG1 3.29Å; Y321-I350 WeakPolarHBondContact OH-CG1 3.05Å; D324-I350 PolarHBondContact O-N 2.86Å; D324-I350 VanDerWaalsContact O-N 3.14Å; F325-I350 CarbonylContact C-O 3.59Å; F325-I350 WeakPolarHBondContact CA-O 3.34Å; F325-I350 HydrophobicContact CB-CB 4.26Å; R326-I350 PolarHBondContact N-O 3.21Å
351	L	97.6	Very high	90	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.3	178.9	-61.2	177.5	0	0	0	111.2	L295 V296 V297 R326 F329 Y339 V349 L362 W365	L295-L351 PolarHBondContact O-N 3.07Å; V296-L351 CarbonylContact C-O 3.55Å; V296-L351 WeakPolarHBondContact CA-O 3.27Å; V297-L351 PolarHBondContact N-O 3.25Å; R326-L351 HydrophobicContact CB-CD2 3.89Å; R326-L351 HydrophobicContact CG-CD2 3.71Å; F329-L351 HydrophobicContact CD1-CD2 4.45Å; F329-L351 HydrophobicContact CD2-CD2 4.46Å; F329-L351 HydrophobicContact CG-CD2 4.3Å; Y339-L351 HydrophobicContact CD1-CD1 4.4Å; Y339-L351 HydrophobicContact CD1-CD2 4.37Å; Y339-L351 HydrophobicContact CG-CD1 4.22Å; Y339-L351 HydrophobicContact CG-CD2 4.38Å; V349-L351 HydrophobicContact CG1-CD1 4.36Å; V349-L351 HydrophobicContact CG1-CD2 4.18Å; V349-L351 HydrophobicContact CG1-CG 3.99Å; V349-L351 HydrophobicContact CG2-CD2 3.64Å; V349-L351 HydrophobicContact CG2-CG 4.15Å; L351-L362 HydrophobicContact CD1-CD1 4.37Å; L351-W365 HydrophobicContact CD1-CH2 3.51Å; L351-W365 HydrophobicContact CD1-CZ2 4.03Å; L351-W365 HydrophobicContact CD1-CZ3 4Å; L351-W365 HydrophobicContact CG-CH2 4.18Å; L351-W365 HydrophobicContact CG-CZ3 4.37Å
352	G	97.3	Very high	90.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.1	169.5	0	0	0	0	0	111.4	S305 R326 Y328 F329	S305-G352 WeakPolarHBondContact OG-CA 3.24Å; S305-G352 PolarHBondContact OG-O 2.69Å; R326-G352 PolarHBondContact O-N 2.67Å; Y328-G352 CarbonylContact C-O 3.59Å; F329-G352 WeakPolarHBondContact CB-O 3.36Å; F329-G352 PolarHBondContact N-O 3.19Å
353	V	95.3	Very high	90.2	Very high	1 Å²	1	46 Å²	46	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.4	-175.8	-60.9	0	0	0	0	111.9	V296 V297 M298 A299 S305 F329 F358	V296-V353 HydrophobicContact CG1-CG2 3.85Å; V297-V353 PolarHBondContact O-N 2.6Å; M298-V353 WeakPolarHBondContact CA-O 3.16Å; M298-V353 HydrophobicContact CB-CG2 4.47Å; M298-V353 HydrophobicContact CG-CG2 3.84Å; A299-V353 PolarHBondContact N-O 3.49Å; S305-V353 PolarHBondContact OG-N 3.05Å; F329-V353 HydrophobicContact CB-CG1 4.19Å; F329-V353 HydrophobicContact CD1-CG1 4.04Å; V353-F358 HydrophobicContact CB-CB 4.34Å; V353-F358 HydrophobicContact CB-CD2 3.59Å; V353-F358 HydrophobicContact CB-CE2 3.99Å; V353-F358 HydrophobicContact CB-CG 3.98Å; V353-F358 HydrophobicContact CG1-CD1 4.12Å; V353-F358 HydrophobicContact CG1-CD2 3.71Å; V353-F358 HydrophobicContact CG1-CE1 4.16Å; V353-F358 HydrophobicContact CG1-CE2 3.77Å; V353-F358 HydrophobicContact CG1-CG 3.88Å; V353-F358 HydrophobicContact CG1-CZ 3.99Å; V353-F358 HydrophobicContact CG2-CB 3.85Å; V353-F358 HydrophobicContact CG2-CD2 4.07Å; V353-F358 HydrophobicContact CG2-CG 4.03Å
354	T	92.9	Very high	90.3	Very high	13 Å²	13	43 Å²	43	8%	0.08	23%	0.234	C	C	.	.			trans	-110.6	-33.1	172.4	54.8	0	0	0	0	113.6	A299 S301 P302 Y328 P356	A299-T354 WeakPolarHBondContact O-CA 3.41Å; S301-T354 WeakPolarHBondContact O-CG2 2.92Å; P302-T354 HydrophobicContact CG-CG2 4.27Å; Y328-T354 HydrophobicContact CE2-CG2 3.8Å; Y328-T354 WeakPolarHBondContact CE2-OG1 3.36Å; Y328-T354 PolarHBondContact OH-OG1 2.89Å; T354-P356 VanDerWaalsContact O-CD 3.32Å; T354-P356 WeakPolarHBondContact O-CD 3.37Å
355	N	90.4	Very high	90.8	Very high	28 Å²	28	36.2 Å²	36.2	15%	0.15	20%	0.202	C	C	.	.			trans	-65.8	120.8	-175.2	-173.9	-31	0	0	0	111.5	D103 F357 F358	D103-N355 HydrophobicContact CB-CB 4.17Å; D103-N355 VanDerWaalsContact CG-CB 3.49Å; D103-N355 PolarHBondContact O-ND2 2.62Å; D103-N355 PolarHBondContact OD1-ND2 3.04Å; D103-N355 WeakPolarHBondContact OD2-CB 3.47Å; N355-F357 PolarHBondContact O-N 3.13Å; N355-F357 WeakPolarHBondContact OD1-CB 3.42Å; N355-F357 PolarHBondContact OD1-N 2.93Å; N355-F358 HydrophobicContact CB-CD2 4.06Å; N355-F358 HydrophobicContact CB-CE2 4.25Å; N355-F358 WeakPolarHBondContact O-CD2 3.25Å; N355-F358 PolarHBondContact O-N 3.41Å; N355-F358 VanDerWaalsContact O-N 3.12Å
356	P	86.6	Confident	91.1	Very high	54 Å²	54	33.9 Å²	33.9	35%	0.351	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.9	-178	-25.5	35.3	0	0	0	115.1	T354 F358 A359 L395	T354-P356 VanDerWaalsContact O-CD 3.32Å; T354-P356 WeakPolarHBondContact O-CD 3.37Å; P356-F358 PolarHBondContact O-N 3Å; P356-A359 WeakPolarHBondContact O-CB 3.37Å; P356-A359 PolarHBondContact O-N 2.67Å; P356-L395 HydrophobicContact CB-CD2 3.56Å; P356-L395 HydrophobicContact CB-CG 3.86Å; P356-L395 HydrophobicContact CG-CD2 4.25Å
357	F	88.7	Confident	91.4	Very high	104 Å²	104	32.4 Å²	32.4	46%	0.456	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-38.6	171.8	177.7	-112.7	0	0	0	112.8	I331 F336 N355 A359 K360 T361	I331-F357 HydrophobicContact CG2-CD1 3.72Å; I331-F357 HydrophobicContact CG2-CE1 4.33Å; F336-F357 AromaticContact CZ-CE1 3.96Å; F336-F357 HydrophobicContact CZ-CE1 3.96Å; N355-F357 PolarHBondContact O-N 3.13Å; N355-F357 WeakPolarHBondContact OD1-CB 3.42Å; N355-F357 PolarHBondContact OD1-N 2.93Å; F357-A359 PolarHBondContact O-N 2.93Å; F357-A359 VanDerWaalsContact O-N 3.1Å; F357-K360 PolarHBondContact O-N 3.31Å; F357-T361 WeakPolarHBondContact CE1-OG1 3.47Å; F357-T361 WeakPolarHBondContact CZ-OG1 3.21Å; F357-T361 PolarHBondContact O-N 3.24Å; F357-T361 PolarHBondContact O-OG1 2.8Å
358	F	90.2	Very high	91.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.9	-24.4	177.8	-75.1	-73.4	0	0	0	113.2	F329 I331 F336 V353 N355 P356 K360 T361 L362	F329-F358 AromaticContact CD1-CE1 3.94Å; F329-F358 HydrophobicContact CD1-CE1 3.94Å; F329-F358 AromaticContact CD1-CZ 3.78Å; F329-F358 HydrophobicContact CD1-CZ 3.78Å; F329-F358 AromaticContact CE1-CE1 3.84Å; F329-F358 HydrophobicContact CE1-CE1 3.84Å; F329-F358 AromaticContact CE1-CZ 3.98Å; F329-F358 HydrophobicContact CE1-CZ 3.98Å; I331-F358 HydrophobicContact CG2-CD2 4.44Å; I331-F358 HydrophobicContact CG2-CE2 3.75Å; I331-F358 HydrophobicContact CG2-CZ 3.92Å; F336-F358 HydrophobicContact CD2-CE1 4.15Å; F336-F358 HydrophobicContact CD2-CZ 4.23Å; F336-F358 AromaticContact CE2-CE1 3.59Å; F336-F358 HydrophobicContact CE2-CE1 3.59Å; F336-F358 AromaticContact CE2-CZ 3.86Å; F336-F358 HydrophobicContact CE2-CZ 3.86Å; V353-F358 HydrophobicContact CB-CB 4.34Å; V353-F358 HydrophobicContact CB-CD2 3.59Å; V353-F358 HydrophobicContact CB-CE2 3.99Å; V353-F358 HydrophobicContact CB-CG 3.98Å; V353-F358 HydrophobicContact CG1-CD1 4.12Å; V353-F358 HydrophobicContact CG1-CD2 3.71Å; V353-F358 HydrophobicContact CG1-CE1 4.16Å; V353-F358 HydrophobicContact CG1-CE2 3.77Å; V353-F358 HydrophobicContact CG1-CG 3.88Å; V353-F358 HydrophobicContact CG1-CZ 3.99Å; V353-F358 HydrophobicContact CG2-CB 3.85Å; V353-F358 HydrophobicContact CG2-CD2 4.07Å; V353-F358 HydrophobicContact CG2-CG 4.03Å; N355-F358 HydrophobicContact CB-CD2 4.06Å; N355-F358 HydrophobicContact CB-CE2 4.25Å; N355-F358 WeakPolarHBondContact O-CD2 3.25Å; N355-F358 PolarHBondContact O-N 3.41Å; N355-F358 VanDerWaalsContact O-N 3.12Å; P356-F358 PolarHBondContact O-N 3Å; F358-K360 VanDerWaalsContact C-N 3.27Å; F358-K360 PolarHBondContact O-N 3.02Å; F358-T361 PolarHBondContact O-N 3.45Å; F358-L362 HydrophobicContact CB-CD1 4.25Å; F358-L362 HydrophobicContact CD1-CD1 3.65Å; F358-L362 HydrophobicContact CD1-CG 3.99Å; F358-L362 HydrophobicContact CE1-CD1 4.43Å; F358-L362 HydrophobicContact CG-CD1 4.34Å; F358-L362 WeakPolarHBondContact O-CB 3.41Å; F358-L362 PolarHBondContact O-N 2.84Å
359	A	86	Confident	91.5	Very high	12 Å²	12	28.1 Å²	28.1	10%	0.099	14%	0.141	C	C	.	.	H	α-helix	trans	-61.9	-31.6	176	0	0	0	0	0	113.7	M298 P356 F357 Q363 R370	M298-A359 HydrophobicContact CE-CB 4.38Å; M298-A359 HydrophobicContact SD-CB 4.17Å; P356-A359 WeakPolarHBondContact O-CB 3.37Å; P356-A359 PolarHBondContact O-N 2.67Å; F357-A359 PolarHBondContact O-N 2.93Å; F357-A359 VanDerWaalsContact O-N 3.1Å; A359-Q363 WeakPolarHBondContact O-CB 3.21Å; A359-R370 VanDerWaalsContact CB-NH2 3.34Å
360	K	86.3	Confident	91.2	Very high	153 Å²	153	29.3 Å²	29.3	67%	0.665	15%	0.145	S	C	*	.	H	α-helix	trans	-92.2	-37.1	177.3	-176.5	178.8	178.9	-178.6	0	111.6	R342 F357 F358 Q363	R342-K360 PolarHBondContact NH2-O 3.19Å; R342-K360 VanDerWaalsContact NH2-O 3.13Å; F357-K360 PolarHBondContact O-N 3.31Å; F358-K360 VanDerWaalsContact C-N 3.27Å; F358-K360 PolarHBondContact O-N 3.02Å; K360-Q363 VanDerWaalsContact O-CG 3.3Å; K360-Q363 WeakPolarHBondContact O-CG 3.35Å; K360-Q363 PolarHBondContact O-OE1 2.76Å
361	T	89.1	Confident	90.6	Very high	20 Å²	20	30 Å²	30	12%	0.123	15%	0.149	C	C	.	.	H	α-helix	trans	-68.1	-54.1	-179	-57.6	0	0	0	0	110.8	F336 T340 R342 F357 F358 Q363 H364	F336-T361 HydrophobicContact CZ-CG2 4.41Å; T340-T361 HydrophobicContact CG2-CG2 3.7Å; R342-T361 PolarHBondContact NH2-O 2.69Å; F357-T361 WeakPolarHBondContact CE1-OG1 3.47Å; F357-T361 WeakPolarHBondContact CZ-OG1 3.21Å; F357-T361 PolarHBondContact O-N 3.24Å; F357-T361 PolarHBondContact O-OG1 2.8Å; F358-T361 PolarHBondContact O-N 3.45Å; T361-Q363 VanDerWaalsContact C-N 3.34Å; T361-Q363 PolarHBondContact O-N 3.07Å; T361-H364 PolarHBondContact O-CE1 2.62Å; T361-H364 VanDerWaalsContact O-CE1 3.31Å; T361-H364 PolarHBondContact O-ND1 2.89Å
362	L	89.3	Confident	89.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.156	C	C	.	.	S	Bend	trans	-88.6	11	-177.6	-52.8	178.9	0	0	0	113.8	V296 T340 L351 F358 H364 W365	V296-L362 HydrophobicContact CB-CD1 4.49Å; V296-L362 HydrophobicContact CG1-CD1 3.85Å; V296-L362 HydrophobicContact CG2-CB 4.21Å; V296-L362 HydrophobicContact CG2-CD1 3.76Å; T340-L362 HydrophobicContact CG2-CD2 4Å; L351-L362 HydrophobicContact CD1-CD1 4.37Å; F358-L362 HydrophobicContact CB-CD1 4.25Å; F358-L362 HydrophobicContact CD1-CD1 3.65Å; F358-L362 HydrophobicContact CD1-CG 3.99Å; F358-L362 HydrophobicContact CE1-CD1 4.43Å; F358-L362 HydrophobicContact CG-CD1 4.34Å; F358-L362 WeakPolarHBondContact O-CB 3.41Å; F358-L362 PolarHBondContact O-N 2.84Å; L362-H364 PolarHBondContact O-N 2.88Å; L362-W365 HydrophobicContact CB-CG 4.24Å; L362-W365 HydrophobicContact CD2-CZ2 4.41Å; L362-W365 WeakPolarHBondContact O-CB 3.44Å; L362-W365 PolarHBondContact O-N 3Å
363	Q	86.1	Confident	88	Confident	94 Å²	94	37 Å²	37	44%	0.439	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-13.1	179.3	75.5	-177.7	23.2	0	0	115.4	A359 K360 T361	A359-Q363 WeakPolarHBondContact O-CB 3.21Å; K360-Q363 VanDerWaalsContact O-CG 3.3Å; K360-Q363 WeakPolarHBondContact O-CG 3.35Å; K360-Q363 PolarHBondContact O-OE1 2.76Å; T361-Q363 VanDerWaalsContact C-N 3.34Å; T361-Q363 PolarHBondContact O-N 3.07Å
364	H	85.8	Confident	86.2	Confident	62 Å²	62	40.5 Å²	40.5	29%	0.287	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-6.9	-177.8	66.5	-81.5	0	0	0	113.2	T361 L362	T361-H364 PolarHBondContact O-CE1 2.62Å; T361-H364 VanDerWaalsContact O-CE1 3.31Å; T361-H364 PolarHBondContact O-ND1 2.89Å; L362-H364 PolarHBondContact O-N 2.88Å
365	W	91.5	Very high	84.4	Confident	1 Å²	1	46 Å²	46	0%	0.004	23%	0.231	C	C	.	.	S	Bend	trans	-72.5	145.8	178.4	-80	44.7	0	0	0	111.1	P294 V296 Y339 P346 V349 L351 L362 H367 L389	P294-W365 HydrophobicContact CB-CE3 3.81Å; P294-W365 HydrophobicContact CB-CZ3 3.83Å; V296-W365 HydrophobicContact CG2-CB 4.17Å; V296-W365 HydrophobicContact CG2-CD2 3.81Å; V296-W365 HydrophobicContact CG2-CE3 3.48Å; V296-W365 VanDerWaalsContact CG2-CE3 3.48Å; V296-W365 HydrophobicContact CG2-CG 4.12Å; V296-W365 HydrophobicContact CG2-CZ3 4.17Å; Y339-W365 VanDerWaalsContact O-CZ2 3.29Å; Y339-W365 WeakPolarHBondContact O-CZ2 3.25Å; P346-W365 HydrophobicContact CB-CD2 3.92Å; P346-W365 HydrophobicContact CB-CE3 4.33Å; P346-W365 HydrophobicContact CB-CG 4.32Å; P346-W365 HydrophobicContact CB-CH2 4.39Å; P346-W365 HydrophobicContact CB-CZ2 3.96Å; P346-W365 HydrophobicContact CG-CD2 4.31Å; P346-W365 HydrophobicContact CG-CG 4.19Å; V349-W365 HydrophobicContact CG1-CH2 3.43Å; V349-W365 VanDerWaalsContact CG1-CH2 3.43Å; V349-W365 HydrophobicContact CG1-CZ3 3.82Å; L351-W365 HydrophobicContact CD1-CH2 3.51Å; L351-W365 HydrophobicContact CD1-CZ2 4.03Å; L351-W365 HydrophobicContact CD1-CZ3 4Å; L351-W365 HydrophobicContact CG-CH2 4.18Å; L351-W365 HydrophobicContact CG-CZ3 4.37Å; L362-W365 HydrophobicContact CB-CG 4.24Å; L362-W365 HydrophobicContact CD2-CZ2 4.41Å; L362-W365 WeakPolarHBondContact O-CB 3.44Å; L362-W365 PolarHBondContact O-N 3Å; W365-H367 VanDerWaalsContact C-N 3.3Å; W365-H367 PolarHBondContact O-N 3.47Å; W365-L389 WeakPolarHBondContact O-CD2 3.48Å
366	P	92.4	Very high	82.1	Confident	38 Å²	38	51.2 Å²	51.2	25%	0.247	27%	0.266	C	S	.	.	S	Bend	trans	-69.9	-27.9	-169.5	29.5	-36.2	0	0	0	112.8	P294	P294-P366 HydrophobicContact CB-CG 4.16Å; P294-P366 HydrophobicContact CG-CG 4.34Å
367	H	94.9	Very high	79.9	Confident	7 Å²	7	52.4 Å²	52.4	3%	0.032	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.3	-173.6	-45.7	-41	0	0	0	111.7	L288 E293 P294 L295 V296 W365 T403	L288-H367 HydrophobicContact CD1-CB 4.21Å; L288-H367 WeakPolarHBondContact CD2-NE2 3.32Å; E293-H367 IonicContact OE2-NE2 2.76Å; P294-H367 PolarHBondContact O-CD2 3.22Å; L295-H367 HydrophobicContact CD1-CB 3.52Å; V296-H367 PolarHBondContact N-O 3.24Å; W365-H367 VanDerWaalsContact C-N 3.3Å; W365-H367 PolarHBondContact O-N 3.47Å; H367-T403 PolarHBondContact CE1-OG1 3.34Å; H367-T403 PolarHBondContact ND1-OG1 2.84Å
368	I	93.6	Very high	78	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	122.6	177.3	-60.6	175.7	0	0	0	109	V296 M298 R370 L389 L392 Y402	V296-I368 HydrophobicContact CB-CG1 4.22Å; V296-I368 HydrophobicContact CG2-CG1 4.39Å; V296-I368 CarbonylContact O-C 3.5Å; V296-I368 WeakPolarHBondContact O-CA 3.41Å; M298-I368 HydrophobicContact CE-CD1 4.06Å; M298-I368 HydrophobicContact CE-CG1 4.49Å; M298-I368 HydrophobicContact CE-CG2 3.65Å; M298-I368 HydrophobicContact CG-CG2 4.3Å; M298-I368 HydrophobicContact SD-CG2 3.77Å; I368-R370 HydrophobicContact CG2-CG 4.33Å; I368-L389 HydrophobicContact CD1-CD1 3.96Å; I368-L389 HydrophobicContact CG1-CD1 4.4Å; I368-L392 HydrophobicContact CD1-CD2 3.54Å; I368-Y402 PolarHBondContact N-O 2.9Å; I368-Y402 WeakPolarHBondContact O-CB 3.4Å; I368-Y402 PolarHBondContact O-N 3.1Å
369	I	92.8	Very high	76	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.9	169.3	-63.1	165.4	0	0	0	107.3	V278 L285 L295 V296 V297 M298 L312 I371 V401	V278-I369 HydrophobicContact CG1-CG2 4.32Å; L285-I369 HydrophobicContact CD2-CD1 3.75Å; L285-I369 HydrophobicContact CD2-CG1 4.2Å; L295-I369 HydrophobicContact CD1-CD1 3.9Å; L295-I369 HydrophobicContact CD1-CG1 4.04Å; L295-I369 HydrophobicContact CD2-CD1 4.04Å; L295-I369 HydrophobicContact CG-CD1 4.29Å; V296-I369 PolarHBondContact O-N 3.2Å; V297-I369 HydrophobicContact CG2-CB 4.5Å; V297-I369 HydrophobicContact CG2-CD1 4.27Å; M298-I369 PolarHBondContact N-O 3.41Å; L312-I369 HydrophobicContact CD1-CD1 3.85Å; L312-I369 HydrophobicContact CD2-CD1 4.25Å; I369-I371 HydrophobicContact CG2-CD1 3.75Å; I369-I371 HydrophobicContact CG2-CG1 4.18Å; I369-V401 HydrophobicContact CG1-CG1 4.43Å; I369-V401 HydrophobicContact CG1-CG2 4.31Å
370	R	89.6	Confident	74.4	Confident	27 Å²	27	56.9 Å²	56.9	10%	0.102	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	103.5	167.4	-71.6	-168.9	147.5	-139.3	-8.7	109.6	M298 A359 I368 L395 S397 P399 G400 Y402	M298-R370 HydrophobicContact CB-CG 4.23Å; M298-R370 HydrophobicContact SD-CG 4.3Å; A359-R370 VanDerWaalsContact CB-NH2 3.34Å; I368-R370 HydrophobicContact CG2-CG 4.33Å; R370-L395 PolarHBondContact NH1-O 3.28Å; R370-S397 WeakPolarHBondContact CD-O 3.3Å; R370-S397 PolarHBondContact NH1-O 2.88Å; R370-P399 CarbonylContact O-C 3.56Å; R370-P399 VanDerWaalsContact O-CA 3.29Å; R370-P399 WeakPolarHBondContact O-CA 3.49Å; R370-P399 WeakPolarHBondContact O-CB 3.16Å; R370-G400 PolarHBondContact N-O 3.23Å; R370-G400 PolarHBondContact O-N 3.27Å; R370-Y402 HydrophobicContact CB-CE2 4.32Å; R370-Y402 HydrophobicContact CG-CD2 4.38Å; R370-Y402 HydrophobicContact CG-CE2 4.15Å
371	I	86.8	Confident	73	Confident	15 Å²	15	51.2 Å²	51.2	8%	0.077	29%	0.288	C	S	.	.			trans	-74	145.6	160.3	-52.4	-55.7	0	0	0	106.9	P277 V297 M298 A299 T308 I369	P277-I371 HydrophobicContact CG-CD1 4.42Å; V297-I371 HydrophobicContact CG1-CG1 4.1Å; M298-I371 PolarHBondContact O-N 3.41Å; A299-I371 HydrophobicContact CB-CB 4.11Å; T308-I371 HydrophobicContact CG2-CD1 4.22Å; T308-I371 HydrophobicContact CG2-CG1 4.19Å; I369-I371 HydrophobicContact CG2-CD1 3.75Å; I369-I371 HydrophobicContact CG2-CG1 4.18Å
372	G	74.6	Confident	71.3	Confident	15 Å²	15	58.9 Å²	58.9	16%	0.155	32%	0.32	C	S	.	.			trans	-146.9	163.9	173.3	0	0	0	0	0	109	L374	G372-L374 PolarHBondContact O-N 3.37Å
373	D	66.1	Low	69.5	Low	130 Å²	130	66 Å²	66	70%	0.695	35%	0.353	S	S	*	.			trans	-43.1	120.6	-168.1	-42.8	-44	0	0	0	112.8	P300 K375	P300-D373 WeakPolarHBondContact CB-OD1 3.37Å; P300-D373 WeakPolarHBondContact CG-OD1 3.3Å; D373-K375 PolarHBondContact O-N 3.09Å
374	L	57.6	Low	68.1	Low	76 Å²	76	62.9 Å²	62.9	40%	0.398	34%	0.344	S	S	.	.			trans	-64.1	97.3	172.4	-73.6	167.8	0	0	0	108.8	R273 P277 G372	R273-L374 HydrophobicContact CG-CD1 3.79Å; P277-L374 HydrophobicContact CG-CD2 4.04Å; G372-L374 PolarHBondContact O-N 3.37Å
375	K	53.7	Low	66.8	Low	127 Å²	127	68.2 Å²	68.2	55%	0.552	37%	0.366	S	S	*	.			trans	-50.2	134.3	172.4	-76.6	-173.9	169.2	-168.6	0	109.9	D373 T377 E379	D373-K375 PolarHBondContact O-N 3.09Å; K375-T377 PolarHBondContact O-N 3.43Å; K375-E379 IonicContact NZ-OE1 2.69Å; K375-E379 PolarHBondContact NZ-OE1 3.38Å; K375-E379 IonicContact NZ-OE2 2.62Å; K375-E379 PolarHBondContact NZ-OE2 2.9Å
376	P	42	Very low	65.7	Low	138 Å²	138	70.5 Å²	70.5	90%	0.896	38%	0.38	S	S	*	.	S	Bend	trans	-76.1	30.8	-179.6	32.7	-37.3	0	0	0	113.5
377	T	41.3	Very low	64.9	Low	80 Å²	80	70.8 Å²	70.8	49%	0.491	38%	0.377	S	S	.	.	S	Bend	trans	-130.8	146.6	-179.1	53.8	0	0	0	0	110.4	K375 E379	K375-T377 PolarHBondContact O-N 3.43Å; T377-E379 PolarHBondContact O-N 2.93Å
378	G	48.1	Very low	63.7	Low	57 Å²	57	77.7 Å²	77.7	59%	0.588	41%	0.407	S	S	*	.			trans	-70.5	33.8	178.9	0	0	0	0	0	115	I380	G378-I380 PolarHBondContact O-N 3.07Å; G378-I380 VanDerWaalsContact O-N 3.14Å
379	E	49.1	Very low	62.2	Low	99 Å²	99	79.5 Å²	79.5	46%	0.463	42%	0.417	S	S	.	.			trans	-64.9	107.4	169.6	-75.7	-179.4	-136.5	0	0	109	K375 T377	K375-E379 IonicContact NZ-OE1 2.69Å; K375-E379 PolarHBondContact NZ-OE1 3.38Å; K375-E379 IonicContact NZ-OE2 2.62Å; K375-E379 PolarHBondContact NZ-OE2 2.9Å; T377-E379 PolarHBondContact O-N 2.93Å
380	I	52.6	Low	60.7	Low	54 Å²	54	88.3 Å²	88.3	28%	0.277	46%	0.455	S	S	.	.			trans	-51.9	134.3	167.8	-51.7	169.6	0	0	0	108.1	G378 K382 Q420 V423 Q424	G378-I380 PolarHBondContact O-N 3.07Å; G378-I380 VanDerWaalsContact O-N 3.14Å; I380-K382 PolarHBondContact O-N 3.3Å; I380-Q420 HydrophobicContact CG2-CG 4.36Å; I380-V423 HydrophobicContact CG1-CG1 4.19Å; I380-Q424 HydrophobicContact CD1-CG 3.66Å; I380-Q424 HydrophobicContact CG1-CG 4.27Å
381	P	55.8	Low	59.3	Low	34 Å²	34	92 Å²	92	22%	0.221	48%	0.477	C	S	.	.			trans	-53.3	100.9	172.7	-24	30.8	0	0	0	111.1	C276 F279 Q383	C276-P381 WeakPolarHBondContact O-CG 3.38Å; F279-P381 HydrophobicContact CE1-CG 4.03Å; P381-Q383 PolarHBondContact O-N 3.04Å; P381-Q383 VanDerWaalsContact O-N 3.13Å
382	K	54.2	Low	58	Low	180 Å²	180	92.1 Å²	92.1	78%	0.783	48%	0.478	S	S	*	.			trans	-56.3	119.5	179.3	-68.8	179.8	179.6	176.8	0	108.1	I380 A384	I380-K382 PolarHBondContact O-N 3.3Å; K382-A384 PolarHBondContact O-N 3.49Å
383	Q	51.5	Low	57	Low	150 Å²	150	99.8 Å²	99.8	70%	0.701	51%	0.507	S	S	*	.			trans	-34.6	94.1	-164.7	-71.4	-170.2	-6.8	0	0	113.8	L280 P381 K385	L280-Q383 HydrophobicContact CD1-CB 4.36Å; L280-Q383 HydrophobicContact CD1-CG 4.14Å; P381-Q383 PolarHBondContact O-N 3.04Å; P381-Q383 VanDerWaalsContact O-N 3.13Å; Q383-K385 PolarHBondContact O-N 2.89Å
384	A	55.4	Low	56.5	Low	30 Å²	30	97.2 Å²	97.2	25%	0.248	50%	0.495	C	S	.	.			trans	-73.3	93.5	-179.5	0	0	0	0	0	108.1	H281 K382 V386	H281-A384 PolarHBondContact NE2-O 3.16Å; K382-A384 PolarHBondContact O-N 3.49Å; A384-V386 PolarHBondContact O-N 3.46Å
385	K	59.7	Low	56.2	Low	174 Å²	174	99 Å²	99	76%	0.757	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-55.2	130	174.9	-68.2	-174.3	178.4	-178.3	0	108.8	Q383 K387	Q383-K385 PolarHBondContact O-N 2.89Å; K385-K387 WeakPolarHBondContact O-CG 3.38Å; K385-K387 PolarHBondContact O-N 2.79Å
386	V	68.1	Low	56.3	Low	49 Å²	49	99.2 Å²	99.2	30%	0.297	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-52.8	126.8	177.9	179.9	0	0	0	0	108.9	M284 A384 T403	M284-V386 HydrophobicContact CE-CG1 4.28Å; M284-V386 HydrophobicContact CE-CG2 3.89Å; A384-V386 PolarHBondContact O-N 3.46Å; V386-T403 HydrophobicContact CG1-CG2 3.5Å
387	K	75.1	Confident	57.5	Low	43 Å²	43	93.3 Å²	93.3	19%	0.187	47%	0.474	C	S	.	.	B	Isolated β-bridge	trans	-94.5	134.3	-173.1	-63	164	-165.8	148.9	0	109.4	K385 L389 K398 P399 V401 Y402 T403	K385-K387 WeakPolarHBondContact O-CG 3.38Å; K385-K387 PolarHBondContact O-N 2.79Å; K387-L389 PolarHBondContact O-N 2.89Å; K387-K398 PolarHBondContact NZ-O 3.05Å; K387-P399 PolarHBondContact NZ-O 3.21Å; K387-V401 PolarHBondContact N-O 2.87Å; K387-V401 VanDerWaalsContact N-O 3.08Å; K387-Y402 HydrophobicContact CB-CD1 3.67Å; K387-Y402 HydrophobicContact CB-CE1 3.81Å; K387-Y402 HydrophobicContact CB-CG 4.18Å; K387-Y402 HydrophobicContact CD-CD1 4.06Å; K387-Y402 HydrophobicContact CD-CD2 4.38Å; K387-Y402 HydrophobicContact CD-CE1 3.42Å; K387-Y402 VanDerWaalsContact CD-CE1 3.42Å; K387-Y402 HydrophobicContact CD-CE2 3.76Å; K387-Y402 HydrophobicContact CD-CG 4.49Å; K387-Y402 VanDerWaalsContact CD-OH 3.25Å; K387-Y402 WeakPolarHBondContact CD-OH 3.18Å; K387-Y402 HydrophobicContact CG-CE1 4.27Å; K387-Y402 PolarHBondContact NZ-OH 2.96Å; K387-Y402 VanDerWaalsContact NZ-OH 3.09Å; K387-Y402 CarbonylContact O-C 3.6Å; K387-Y402 WeakPolarHBondContact O-CA 3.41Å; K387-T403 PolarHBondContact O-N 2.67Å
388	K	69.3	Low	59.1	Low	153 Å²	153	97.4 Å²	97.4	67%	0.665	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-60.8	136.4	168.2	-67.3	-177.2	178.5	179.4	0	108.9	K390 N391	K388-K390 PolarHBondContact O-N 2.73Å; K388-K390 VanDerWaalsContact O-N 3.08Å; K388-N391 WeakPolarHBondContact O-CB 3.32Å; K388-N391 PolarHBondContact O-N 3.05Å
389	L	63.9	Low	60.7	Low	38 Å²	38	98 Å²	98	20%	0.199	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-52.3	-34.4	-179.1	-171.1	68.4	0	0	0	113.1	W365 I368 K387 N391 L392	W365-L389 WeakPolarHBondContact O-CD2 3.48Å; I368-L389 HydrophobicContact CD1-CD1 3.96Å; I368-L389 HydrophobicContact CG1-CD1 4.4Å; K387-L389 PolarHBondContact O-N 2.89Å; L389-N391 PolarHBondContact O-N 2.96Å; L389-L392 HydrophobicContact CD1-CD2 4.44Å; L389-L392 WeakPolarHBondContact O-CB 3.24Å; L389-L392 PolarHBondContact O-N 3.34Å
390	K	61.2	Low	62.5	Low	186 Å²	186	93.3 Å²	93.3	81%	0.809	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-57.9	-10.8	174.9	-57.5	-168.1	179.9	-169.8	0	115.3	K388	K388-K390 PolarHBondContact O-N 2.73Å; K388-K390 VanDerWaalsContact O-N 3.08Å
391	N	58.6	Low	64.3	Low	104 Å²	104	90.9 Å²	90.9	56%	0.556	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-96	-6.6	177	-60.5	4.4	0	0	0	112.9	K388 L389 K393	K388-N391 WeakPolarHBondContact O-CB 3.32Å; K388-N391 PolarHBondContact O-N 3.05Å; L389-N391 PolarHBondContact O-N 2.96Å; N391-K393 PolarHBondContact O-N 2.96Å
392	L	60.4	Low	66	Low	18 Å²	18	89.6 Å²	89.6	9%	0.094	44%	0.435	C	S	.	.			trans	-80.7	86.3	172.7	-171.2	79.1	0	0	0	108.8	I368 L389 Y402	I368-L392 HydrophobicContact CD1-CD2 3.54Å; L389-L392 HydrophobicContact CD1-CD2 4.44Å; L389-L392 WeakPolarHBondContact O-CB 3.24Å; L389-L392 PolarHBondContact O-N 3.34Å; L392-Y402 HydrophobicContact CB-CD1 3.9Å; L392-Y402 HydrophobicContact CB-CE1 4.05Å; L392-Y402 HydrophobicContact CD1-CD1 3.92Å; L392-Y402 HydrophobicContact CD1-CD2 4.44Å; L392-Y402 HydrophobicContact CD1-CE1 3.72Å; L392-Y402 HydrophobicContact CD1-CE2 4.31Å; L392-Y402 HydrophobicContact CD1-CG 4.28Å; L392-Y402 HydrophobicContact CG-CD1 4.49Å
393	K	54.3	Low	67.8	Low	176 Å²	176	81.2 Å²	81.2	77%	0.765	40%	0.399	S	S	*	.			trans	-107.1	-25.9	-171.8	-70.6	-169.9	173.7	-173.5	0	115.2	N391	N391-K393 PolarHBondContact O-N 2.96Å
394	T	54.9	Low	69.7	Low	75 Å²	75	78.6 Å²	78.6	46%	0.46	40%	0.398	S	S	.	.	S	Bend	trans	-148.7	174.7	-176.8	60	0	0	0	0	111.9	D396 S397	T394-D396 WeakPolarHBondContact CB-OD2 3.41Å; T394-D396 PolarHBondContact O-N 2.96Å; T394-D396 PolarHBondContact OG1-OD2 3.22Å; T394-S397 WeakPolarHBondContact O-CB 3.26Å; T394-S397 PolarHBondContact O-N 3.06Å; T394-S397 PolarHBondContact O-OG 3.07Å
395	L	51.2	Low	71.5	Confident	115 Å²	115	78.9 Å²	78.9	60%	0.602	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-33.4	174	-78.5	74.8	0	0	0	112.1	P356 R370 S397	P356-L395 HydrophobicContact CB-CD2 3.56Å; P356-L395 HydrophobicContact CB-CG 3.86Å; P356-L395 HydrophobicContact CG-CD2 4.25Å; R370-L395 PolarHBondContact NH1-O 3.28Å; L395-S397 PolarHBondContact O-N 3.46Å
396	D	56	Low	73.1	Confident	131 Å²	131	79.1 Å²	79.1	70%	0.701	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	3	-174.8	-30.4	-84.5	0	0	0	114.2	T394 K398	T394-D396 WeakPolarHBondContact CB-OD2 3.41Å; T394-D396 PolarHBondContact O-N 2.96Å; T394-D396 PolarHBondContact OG1-OD2 3.22Å; D396-K398 PolarHBondContact O-N 2.72Å
397	S	66	Low	74.4	Confident	14 Å²	14	79.1 Å²	79.1	10%	0.098	40%	0.395	C	S	.	.			trans	-64.7	100.2	-178.9	-60.5	0	0	0	0	110.7	R370 T394 L395 Y402	R370-S397 WeakPolarHBondContact CD-O 3.3Å; R370-S397 PolarHBondContact NH1-O 2.88Å; T394-S397 WeakPolarHBondContact O-CB 3.26Å; T394-S397 PolarHBondContact O-N 3.06Å; T394-S397 PolarHBondContact O-OG 3.07Å; L395-S397 PolarHBondContact O-N 3.46Å; S397-Y402 WeakPolarHBondContact CB-OH 3.28Å
398	K	75.4	Confident	75.4	Confident	165 Å²	165	80.3 Å²	80.3	72%	0.717	40%	0.398	S	S	*	.			trans	-43.6	151.7	-175.4	-55.7	-175.6	-177.8	-174.8	0	114.1	K387 D396 Y402	K387-K398 PolarHBondContact NZ-O 3.05Å; D396-K398 PolarHBondContact O-N 2.72Å; K398-Y402 PolarHBondContact O-OH 3.04Å
399	P	82.3	Confident	76.7	Confident	69 Å²	69	73.2 Å²	73.2	45%	0.448	37%	0.368	S	S	.	.	S	Bend	trans	-51.7	160.3	176.5	-30.4	38.2	0	0	0	116	R370 K387	R370-P399 CarbonylContact O-C 3.56Å; R370-P399 VanDerWaalsContact O-CA 3.29Å; R370-P399 WeakPolarHBondContact O-CA 3.49Å; R370-P399 WeakPolarHBondContact O-CB 3.16Å; K387-P399 PolarHBondContact NZ-O 3.21Å
400	G	86.4	Confident	78.1	Confident	1 Å²	1	76.2 Å²	76.2	1%	0.01	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	118.5	-173.3	-178.2	0	0	0	0	0	113.5	R370	R370-G400 PolarHBondContact N-O 3.23Å; R370-G400 PolarHBondContact O-N 3.27Å
401	V	90.7	Very high	79.5	Confident	4 Å²	4	72.3 Å²	72.3	2%	0.024	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.7	-172.8	-171.5	0	0	0	0	112	V278 H281 M284 L285 I369 K387 T403	V278-V401 HydrophobicContact CB-CG2 4.14Å; V278-V401 HydrophobicContact CG1-CG2 3.77Å; H281-V401 HydrophobicContact CB-CG2 4.41Å; M284-V401 HydrophobicContact CE-CB 4.37Å; M284-V401 HydrophobicContact CE-CG1 3.83Å; L285-V401 HydrophobicContact CD2-CG1 4.46Å; L285-V401 HydrophobicContact CD2-CG2 4.31Å; I369-V401 HydrophobicContact CG1-CG1 4.43Å; I369-V401 HydrophobicContact CG1-CG2 4.31Å; K387-V401 PolarHBondContact N-O 2.87Å; K387-V401 VanDerWaalsContact N-O 3.08Å; V401-T403 HydrophobicContact CG1-CG2 4.1Å
402	Y	91	Very high	81.1	Confident	6 Å²	6	68.9 Å²	68.9	2%	0.024	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	111.3	178	-67.9	-106.1	0	0	0	109.1	I368 R370 K387 L392 S397 K398	I368-Y402 PolarHBondContact N-O 2.9Å; I368-Y402 WeakPolarHBondContact O-CB 3.4Å; I368-Y402 PolarHBondContact O-N 3.1Å; R370-Y402 HydrophobicContact CB-CE2 4.32Å; R370-Y402 HydrophobicContact CG-CD2 4.38Å; R370-Y402 HydrophobicContact CG-CE2 4.15Å; K387-Y402 HydrophobicContact CB-CD1 3.67Å; K387-Y402 HydrophobicContact CB-CE1 3.81Å; K387-Y402 HydrophobicContact CB-CG 4.18Å; K387-Y402 HydrophobicContact CD-CD1 4.06Å; K387-Y402 HydrophobicContact CD-CD2 4.38Å; K387-Y402 HydrophobicContact CD-CE1 3.42Å; K387-Y402 VanDerWaalsContact CD-CE1 3.42Å; K387-Y402 HydrophobicContact CD-CE2 3.76Å; K387-Y402 HydrophobicContact CD-CG 4.49Å; K387-Y402 VanDerWaalsContact CD-OH 3.25Å; K387-Y402 WeakPolarHBondContact CD-OH 3.18Å; K387-Y402 HydrophobicContact CG-CE1 4.27Å; K387-Y402 PolarHBondContact NZ-OH 2.96Å; K387-Y402 VanDerWaalsContact NZ-OH 3.09Å; K387-Y402 CarbonylContact O-C 3.6Å; K387-Y402 WeakPolarHBondContact O-CA 3.41Å; L392-Y402 HydrophobicContact CB-CD1 3.9Å; L392-Y402 HydrophobicContact CB-CE1 4.05Å; L392-Y402 HydrophobicContact CD1-CD1 3.92Å; L392-Y402 HydrophobicContact CD1-CD2 4.44Å; L392-Y402 HydrophobicContact CD1-CE1 3.72Å; L392-Y402 HydrophobicContact CD1-CE2 4.31Å; L392-Y402 HydrophobicContact CD1-CG 4.28Å; L392-Y402 HydrophobicContact CG-CD1 4.49Å; S397-Y402 WeakPolarHBondContact CB-OH 3.28Å; K398-Y402 PolarHBondContact O-OH 3.04Å
403	T	92.1	Very high	82.6	Confident	4 Å²	4	72.7 Å²	72.7	3%	0.025	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	159.2	-179	-178.8	0	0	0	0	111.2	M284 H367 V386 K387 V401 Y405	M284-T403 HydrophobicContact CE-CG2 3.78Å; M284-T403 HydrophobicContact SD-CG2 3.9Å; H367-T403 PolarHBondContact CE1-OG1 3.34Å; H367-T403 PolarHBondContact ND1-OG1 2.84Å; V386-T403 HydrophobicContact CG1-CG2 3.5Å; K387-T403 PolarHBondContact O-N 2.67Å; V401-T403 HydrophobicContact CG1-CG2 4.1Å; T403-Y405 WeakPolarHBondContact OG1-CB 3.44Å; T403-Y405 PolarHBondContact OG1-N 2.89Å
404	S	90.9	Very high	84.4	Confident	96 Å²	96	70.1 Å²	70.1	67%	0.671	35%	0.354	S	S	*	.			trans	-106.6	3.1	165.2	50.1	0	0	0	0	113.6
405	Y	94.1	Very high	86.3	Confident	35 Å²	35	67.2 Å²	67.2	14%	0.137	34%	0.336	C	S	.	.			trans	-58.8	144	176.8	-174.1	-100.1	0	0	0	111.5	M284 E287 L288 L291 T403 P407 Y408	M284-Y405 HydrophobicContact CG-CD1 3.95Å; M284-Y405 HydrophobicContact CG-CE1 4.38Å; M284-Y405 HydrophobicContact SD-CD1 4.31Å; E287-Y405 HydrophobicContact CB-CE1 4.17Å; E287-Y405 WeakPolarHBondContact OE2-CE1 3.27Å; E287-Y405 PolarHBondContact OE2-OH 3.25Å; L288-Y405 HydrophobicContact CD2-CD1 3.86Å; L288-Y405 HydrophobicContact CD2-CD2 3.67Å; L288-Y405 HydrophobicContact CD2-CE1 4.1Å; L288-Y405 HydrophobicContact CD2-CE2 3.95Å; L288-Y405 HydrophobicContact CD2-CG 3.65Å; L288-Y405 HydrophobicContact CG-CD1 4.46Å; L291-Y405 HydrophobicContact CD1-CE2 4.17Å; L291-Y405 VanDerWaalsContact CD1-OH 3.26Å; L291-Y405 WeakPolarHBondContact CD1-OH 3.35Å; T403-Y405 WeakPolarHBondContact OG1-CB 3.44Å; T403-Y405 PolarHBondContact OG1-N 2.89Å; Y405-P407 HydrophobicContact CD1-CG 4.31Å; Y405-P407 HydrophobicContact CE1-CB 4.28Å; Y405-P407 HydrophobicContact CE1-CG 4.31Å; Y405-Y408 WeakPolarHBondContact OH-CD2 3.33Å; Y405-Y408 WeakPolarHBondContact OH-CE2 3.37Å
406	K	93.8	Very high	88.2	Confident	180 Å²	180	62.3 Å²	62.3	78%	0.783	31%	0.31	S	S	*	.			trans	-114.6	116.5	172.2	-68	-178.8	-179.1	178.7	0	107.1
407	P	95.1	Very high	90	Very high	48 Å²	48	62 Å²	62	31%	0.312	30%	0.302	S	S	.	.			trans	-62.1	144.8	177.4	-20.8	31.9	0	0	0	112.5	Q283 M284 E287 Y405	Q283-P407 VanDerWaalsContact NE2-CB 3.33Å; M284-P407 HydrophobicContact CB-CG 3.86Å; M284-P407 HydrophobicContact CG-CG 3.82Å; M284-P407 HydrophobicContact SD-CG 4.01Å; E287-P407 VanDerWaalsContact OE2-CA 3.22Å; E287-P407 WeakPolarHBondContact OE2-CA 3.18Å; Y405-P407 HydrophobicContact CD1-CG 4.31Å; Y405-P407 HydrophobicContact CE1-CB 4.28Å; Y405-P407 HydrophobicContact CE1-CG 4.31Å
408	Y	96.6	Very high	91.3	Very high	68 Å²	68	65.6 Å²	65.6	27%	0.267	32%	0.317	S	S	.	.	S	Bend	trans	-74.8	-39	172.7	-69.9	-84.7	0	0	0	110.9	E287 L291 Y405 G499 D500 L504 H507	E287-Y408 PolarHBondContact OE1-N 3.41Å; E287-Y408 PolarHBondContact OE2-N 2.82Å; L291-Y408 HydrophobicContact CD1-CE2 4.28Å; Y405-Y408 WeakPolarHBondContact OH-CD2 3.33Å; Y405-Y408 WeakPolarHBondContact OH-CE2 3.37Å; Y408-G499 CarbonylContact O-C 3.52Å; Y408-G499 WeakPolarHBondContact O-CA 3.33Å; Y408-D500 WeakPolarHBondContact CB-O 3.44Å; Y408-D500 HydrophobicContact CD1-CB 4.17Å; Y408-D500 PolarHBondContact O-N 2.8Å; Y408-L504 HydrophobicContact CD2-CB 4.13Å; Y408-L504 HydrophobicContact CD2-CD1 3.76Å; Y408-L504 HydrophobicContact CE2-CD1 4.42Å; Y408-L504 HydrophobicContact CG-CB 3.95Å; Y408-L504 HydrophobicContact CG-CD1 4.37Å; Y408-H507 HydrophobicContact CE2-CB 4.44Å
409	L	95.4	Very high	92.1	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.026	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-94.8	150.9	179.8	-51.8	-176.6	0	0	0	111.9	Q283 W286 E287 I497 W501 L504	Q283-L409 PolarHBondContact NE2-O 3.38Å; W286-L409 HydrophobicContact CH2-CD1 4.45Å; W286-L409 HydrophobicContact CZ3-CD1 3.85Å; E287-L409 VanDerWaalsContact OE1-CB 3.31Å; E287-L409 WeakPolarHBondContact OE1-CB 3.21Å; E287-L409 WeakPolarHBondContact OE1-CG 3.42Å; E287-L409 PolarHBondContact OE1-N 2.81Å; L409-I497 HydrophobicContact CB-CG2 3.87Å; L409-I497 HydrophobicContact CD1-CG2 4.41Å; L409-W501 HydrophobicContact CD1-CD2 4.24Å; L409-W501 HydrophobicContact CD1-CE3 4Å; L409-W501 HydrophobicContact CD1-CH2 3.52Å; L409-W501 HydrophobicContact CD1-CZ2 3.75Å; L409-W501 HydrophobicContact CD1-CZ3 3.64Å; L409-W501 HydrophobicContact CD2-CD2 3.53Å; L409-W501 HydrophobicContact CD2-CE3 3.96Å; L409-W501 HydrophobicContact CD2-CG 3.81Å; L409-W501 HydrophobicContact CD2-CZ2 4.12Å; L409-W501 HydrophobicContact CD2-CZ3 4.44Å; L409-L504 HydrophobicContact CD1-CD2 3.95Å; L409-L504 HydrophobicContact CG-CD2 4.14Å
410	N	93.8	Very high	92.5	Very high	100 Å²	100	56.7 Å²	56.7	54%	0.535	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-71.9	158.3	170.7	-70	-55.1	0	0	0	111	I497 K498	N410-I497 VanDerWaalsContact O-CG2 3.28Å; N410-I497 WeakPolarHBondContact O-CG2 3.29Å; N410-K498 VanDerWaalsContact CB-O 3.26Å; N410-K498 WeakPolarHBondContact CB-O 3.32Å; N410-K498 PolarHBondContact N-O 3.03Å; N410-K498 PolarHBondContact ND2-O 2.85Å
411	R	91.1	Very high	92.8	Very high	105 Å²	105	62 Å²	62	40%	0.396	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-68.5	142.9	170.6	-64.8	-179.2	-175.7	172.8	-0.1	110.6	L280 H281 E413 I416	L280-R411 PolarHBondContact O-NE 2.94Å; H281-R411 PolarHBondContact CE1-NH1 2.71Å; H281-R411 PolarHBondContact CE1-NH2 2.94Å; H281-R411 PolarHBondContact ND1-NH2 3.2Å; R411-E413 PolarHBondContact O-N 3.38Å; R411-I416 HydrophobicContact CB-CD1 4.29Å
412	D	91.7	Very high	92.8	Very high	32 Å²	32	61.9 Å²	61.9	17%	0.171	29%	0.294	C	S	.	.			trans	-82.3	110.9	168.4	-173.2	-42.9	0	0	0	109.2	E414 I415 I416 Y439 I497	D412-E414 WeakPolarHBondContact OD1-CA 3.28Å; D412-E414 VanDerWaalsContact OD1-CB 3.3Å; D412-E414 WeakPolarHBondContact OD1-CB 3.4Å; D412-E414 PolarHBondContact OD1-N 3.4Å; D412-I415 HydrophobicContact CB-CG2 3.64Å; D412-I415 WeakPolarHBondContact O-CG2 3.36Å; D412-I415 PolarHBondContact OD1-N 2.99Å; D412-I416 WeakPolarHBondContact O-CD1 3.42Å; D412-I416 VanDerWaalsContact O-CG1 3.27Å; D412-I416 WeakPolarHBondContact O-CG1 3.4Å; D412-Y439 HydrophobicContact CB-CE2 3.74Å; D412-I497 HydrophobicContact CB-CD1 4.08Å; D412-I497 HydrophobicContact CB-CG1 4.48Å
413	E	91.9	Very high	92.6	Very high	98 Å²	98	62.5 Å²	62.5	46%	0.458	30%	0.299	S	S	.	.	H	α-helix	trans	-83.5	-10.4	178.7	-70.1	-68.3	143.3	0	0	112.9	R411 K417	R411-E413 PolarHBondContact O-N 3.38Å; E413-K417 WeakPolarHBondContact O-CB 3.5Å; E413-K417 WeakPolarHBondContact O-CD 3.42Å; E413-K417 WeakPolarHBondContact O-CE 3.16Å; E413-K417 WeakPolarHBondContact O-CG 3.43Å; E413-K417 PolarHBondContact O-N 2.84Å
414	E	92.5	Very high	92.5	Very high	121 Å²	121	68.2 Å²	68.2	57%	0.565	33%	0.325	S	S	*	.	H	α-helix	trans	-77.7	-52.5	176.4	-166.3	174.6	172.8	0	0	109.1	D412 I416 K417 Q418 R496	D412-E414 WeakPolarHBondContact OD1-CA 3.28Å; D412-E414 VanDerWaalsContact OD1-CB 3.3Å; D412-E414 WeakPolarHBondContact OD1-CB 3.4Å; D412-E414 PolarHBondContact OD1-N 3.4Å; E414-I416 PolarHBondContact O-N 3.1Å; E414-K417 PolarHBondContact O-N 2.89Å; E414-Q418 WeakPolarHBondContact O-CB 3.35Å; E414-Q418 PolarHBondContact O-N 2.86Å; E414-R496 IonicContact OE1-NH1 3.45Å; E414-R496 IonicContact OE2-NH1 3.52Å; E414-R496 PolarHBondContact OE2-NH1 2.97Å
415	I	93.4	Very high	92.5	Very high	15 Å²	15	69.1 Å²	69.1	8%	0.077	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-39.8	176.6	-166.8	64.1	0	0	0	112.1	D412 K417 Q418 L419 I435 Y439	D412-I415 HydrophobicContact CB-CG2 3.64Å; D412-I415 WeakPolarHBondContact O-CG2 3.36Å; D412-I415 PolarHBondContact OD1-N 2.99Å; I415-K417 VanDerWaalsContact C-N 3.35Å; I415-K417 PolarHBondContact O-N 3.34Å; I415-Q418 PolarHBondContact O-N 3.32Å; I415-L419 HydrophobicContact CG1-CD1 4.15Å; I415-L419 HydrophobicContact CG1-CG 4.47Å; I415-L419 WeakPolarHBondContact O-CG 3.39Å; I415-L419 PolarHBondContact O-N 3.22Å; I415-I435 HydrophobicContact CD1-CG2 3.45Å; I415-I435 VanDerWaalsContact CD1-CG2 3.45Å; I415-Y439 HydrophobicContact CB-CD2 3.96Å; I415-Y439 HydrophobicContact CB-CE2 4.27Å; I415-Y439 HydrophobicContact CB-CG 4.36Å; I415-Y439 HydrophobicContact CD1-CD2 4.43Å; I415-Y439 HydrophobicContact CD1-CG 4.23Å; I415-Y439 HydrophobicContact CG1-CD1 4.37Å; I415-Y439 HydrophobicContact CG1-CD2 3.94Å; I415-Y439 HydrophobicContact CG1-CG 3.82Å; I415-Y439 HydrophobicContact CG2-CD2 3.99Å; I415-Y439 HydrophobicContact CG2-CE2 3.82Å; I415-Y439 HydrophobicContact CG2-CG 4.44Å
416	I	91.9	Very high	92.1	Very high	12 Å²	12	76 Å²	76	6%	0.062	35%	0.349	C	S	.	.	H	α-helix	trans	-60.2	-44.6	177.5	-76.4	173.1	0	0	0	110.7	L280 R411 D412 E414 Q420	L280-I416 HydrophobicContact CD2-CG2 3.74Å; R411-I416 HydrophobicContact CB-CD1 4.29Å; D412-I416 WeakPolarHBondContact O-CD1 3.42Å; D412-I416 VanDerWaalsContact O-CG1 3.27Å; D412-I416 WeakPolarHBondContact O-CG1 3.4Å; E414-I416 PolarHBondContact O-N 3.1Å; I416-Q420 WeakPolarHBondContact O-CB 3.38Å; I416-Q420 VanDerWaalsContact O-CG 3.24Å; I416-Q420 WeakPolarHBondContact O-CG 3.43Å; I416-Q420 PolarHBondContact O-N 3.41Å
417	K	93.1	Very high	92	Very high	125 Å²	125	70.2 Å²	70.2	54%	0.543	32%	0.323	S	S	.	.	H	α-helix	trans	-69.1	-37.6	177.2	-70.4	166.2	-162.5	161.5	0	111.9	E413 E414 I415 L419 Q420 K421	E413-K417 WeakPolarHBondContact O-CB 3.5Å; E413-K417 WeakPolarHBondContact O-CD 3.42Å; E413-K417 WeakPolarHBondContact O-CE 3.16Å; E413-K417 WeakPolarHBondContact O-CG 3.43Å; E413-K417 PolarHBondContact O-N 2.84Å; E414-K417 PolarHBondContact O-N 2.89Å; I415-K417 VanDerWaalsContact C-N 3.35Å; I415-K417 PolarHBondContact O-N 3.34Å; K417-L419 PolarHBondContact O-N 3.02Å; K417-Q420 PolarHBondContact O-N 3.5Å; K417-K421 VanDerWaalsContact O-CB 3.24Å; K417-K421 WeakPolarHBondContact O-CB 3.49Å; K417-K421 PolarHBondContact O-N 2.79Å
418	Q	94	Very high	91.8	Very high	89 Å²	89	71.7 Å²	71.7	42%	0.416	33%	0.332	S	S	.	.	H	α-helix	trans	-64.8	-37.3	178.4	-168.5	-176.8	14.6	0	0	112.9	E414 I415 G422 R427 I435	E414-Q418 WeakPolarHBondContact O-CB 3.35Å; E414-Q418 PolarHBondContact O-N 2.86Å; I415-Q418 PolarHBondContact O-N 3.32Å; Q418-G422 PolarHBondContact O-N 2.88Å; Q418-G422 VanDerWaalsContact O-N 3.11Å; Q418-R427 PolarHBondContact O-NH1 2.89Å; Q418-I435 HydrophobicContact CG-CD1 4.41Å; Q418-I435 HydrophobicContact CG-CG2 4.34Å
419	L	92.3	Very high	91.5	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-76.4	-44.3	174.4	-66.7	174.7	0	0	0	111.9	F272 F279 I415 K417 K421 G422 V423 Q432 I435 L436	F272-L419 HydrophobicContact CD2-CD2 4.09Å; F272-L419 HydrophobicContact CE2-CD2 4.04Å; F279-L419 HydrophobicContact CB-CD1 4.32Å; F279-L419 HydrophobicContact CD2-CB 4.14Å; F279-L419 HydrophobicContact CD2-CD1 4.07Å; F279-L419 HydrophobicContact CE2-CB 4.08Å; F279-L419 HydrophobicContact CG-CD1 4.34Å; I415-L419 HydrophobicContact CG1-CD1 4.15Å; I415-L419 HydrophobicContact CG1-CG 4.47Å; I415-L419 WeakPolarHBondContact O-CG 3.39Å; I415-L419 PolarHBondContact O-N 3.22Å; K417-L419 PolarHBondContact O-N 3.02Å; L419-K421 VanDerWaalsContact C-N 3.31Å; L419-K421 PolarHBondContact O-N 2.88Å; L419-G422 CarbonylContact O-C 3.59Å; L419-G422 WeakPolarHBondContact O-CA 3.49Å; L419-G422 PolarHBondContact O-N 2.9Å; L419-V423 PolarHBondContact O-N 3.13Å; L419-Q432 HydrophobicContact CD2-CB 4.27Å; L419-Q432 PolarHBondContact O-OE1 3.44Å; L419-I435 HydrophobicContact CD2-CG2 4Å; L419-L436 HydrophobicContact CD1-CD1 4.35Å
420	Q	91.2	Very high	91.1	Very high	44 Å²	44	75.7 Å²	75.7	21%	0.206	36%	0.357	C	S	.	.	H	α-helix	trans	-56.2	-45.4	173.1	-77.6	171.7	-4.7	0	0	112	F279 I380 I416 K417 G422 V423 Q424	F279-Q420 HydrophobicContact CE2-CG 3.9Å; F279-Q420 HydrophobicContact CZ-CG 3.77Å; I380-Q420 HydrophobicContact CG2-CG 4.36Å; I416-Q420 WeakPolarHBondContact O-CB 3.38Å; I416-Q420 VanDerWaalsContact O-CG 3.24Å; I416-Q420 WeakPolarHBondContact O-CG 3.43Å; I416-Q420 PolarHBondContact O-N 3.41Å; K417-Q420 PolarHBondContact O-N 3.5Å; Q420-G422 VanDerWaalsContact C-N 3.28Å; Q420-G422 PolarHBondContact O-N 2.87Å; Q420-V423 PolarHBondContact O-N 3.37Å; Q420-Q424 VanDerWaalsContact O-CG 3.29Å; Q420-Q424 WeakPolarHBondContact O-CG 3.26Å; Q420-Q424 PolarHBondContact O-N 3.04Å
421	K	92	Very high	90.9	Very high	114 Å²	114	73 Å²	73	50%	0.496	35%	0.348	S	S	.	.	H	α-helix	trans	-63.6	-33.7	173.6	-175.2	173.1	178.7	178.1	0	111.9	K417 L419 Q425	K417-K421 VanDerWaalsContact O-CB 3.24Å; K417-K421 WeakPolarHBondContact O-CB 3.49Å; K417-K421 PolarHBondContact O-N 2.79Å; L419-K421 VanDerWaalsContact C-N 3.31Å; L419-K421 PolarHBondContact O-N 2.88Å; K421-Q425 HydrophobicContact CG-CG 4.28Å; K421-Q425 VanDerWaalsContact O-CB 3.25Å; K421-Q425 WeakPolarHBondContact O-CB 3.45Å; K421-Q425 WeakPolarHBondContact O-CG 3.36Å; K421-Q425 PolarHBondContact O-N 3.01Å
422	G	90.6	Very high	91	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.6	-49.3	172.7	0	0	0	0	0	113	Q418 L419 Q420 Q425 K426 R427	Q418-G422 PolarHBondContact O-N 2.88Å; Q418-G422 VanDerWaalsContact O-N 3.11Å; L419-G422 CarbonylContact O-C 3.59Å; L419-G422 WeakPolarHBondContact O-CA 3.49Å; L419-G422 PolarHBondContact O-N 2.9Å; Q420-G422 VanDerWaalsContact C-N 3.28Å; Q420-G422 PolarHBondContact O-N 2.87Å; G422-Q425 CarbonylContact O-C 3.54Å; G422-Q425 PolarHBondContact O-N 2.92Å; G422-K426 PolarHBondContact O-N 2.86Å; G422-K426 VanDerWaalsContact O-N 3.11Å; G422-R427 WeakPolarHBondContact O-CB 3.36Å; G422-R427 PolarHBondContact O-N 3Å
423	V	87.8	Confident	91	Very high	20 Å²	20	66.7 Å²	66.7	12%	0.121	32%	0.322	C	S	.	.	H	α-helix	trans	-59	-48.6	174.2	176.1	0	0	0	0	111.4	F272 I380 L419 Q420 Q425 K426	F272-V423 HydrophobicContact CZ-CG2 3.77Å; I380-V423 HydrophobicContact CG1-CG1 4.19Å; L419-V423 PolarHBondContact O-N 3.13Å; Q420-V423 PolarHBondContact O-N 3.37Å; V423-Q425 VanDerWaalsContact C-N 3.29Å; V423-Q425 PolarHBondContact O-N 2.93Å; V423-K426 PolarHBondContact O-N 3.01Å
424	Q	88.5	Confident	91	Very high	124 Å²	124	66.3 Å²	66.3	58%	0.579	33%	0.326	S	S	*	.	H	α-helix	trans	-58.1	-39.8	177.5	-72.1	167.9	-1.2	0	0	112.6	I380 Q420 K426	I380-Q424 HydrophobicContact CD1-CG 3.66Å; I380-Q424 HydrophobicContact CG1-CG 4.27Å; Q420-Q424 VanDerWaalsContact O-CG 3.29Å; Q420-Q424 WeakPolarHBondContact O-CG 3.26Å; Q420-Q424 PolarHBondContact O-N 3.04Å; Q424-K426 VanDerWaalsContact C-N 3.28Å; Q424-K426 PolarHBondContact O-N 3.31Å
425	Q	90.7	Very high	91	Very high	114 Å²	114	62 Å²	62	53%	0.533	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	4.2	178.9	-67.9	-179	-45.4	0	0	113.7	K421 G422 V423 R427	K421-Q425 HydrophobicContact CG-CG 4.28Å; K421-Q425 VanDerWaalsContact O-CB 3.25Å; K421-Q425 WeakPolarHBondContact O-CB 3.45Å; K421-Q425 WeakPolarHBondContact O-CG 3.36Å; K421-Q425 PolarHBondContact O-N 3.01Å; G422-Q425 CarbonylContact O-C 3.54Å; G422-Q425 PolarHBondContact O-N 2.92Å; V423-Q425 VanDerWaalsContact C-N 3.29Å; V423-Q425 PolarHBondContact O-N 2.93Å; Q425-R427 PolarHBondContact O-N 3.23Å
426	K	87.7	Confident	91	Very high	180 Å²	180	61.4 Å²	61.4	78%	0.783	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	38.2	-172.8	-59.3	-178.6	178.5	180	0	113.1	G422 V423 Q424	G422-K426 PolarHBondContact O-N 2.86Å; G422-K426 VanDerWaalsContact O-N 3.11Å; V423-K426 PolarHBondContact O-N 3.01Å; Q424-K426 VanDerWaalsContact C-N 3.28Å; Q424-K426 PolarHBondContact O-N 3.31Å
427	R	91.1	Very high	91.1	Very high	58 Å²	58	63.8 Å²	63.8	22%	0.219	31%	0.312	C	S	.	.			trans	-60.7	133.9	179	-171	-176.8	-55	132.2	9.5	109.7	Q418 G422 Q425 A431 Q432	Q418-R427 PolarHBondContact O-NH1 2.89Å; G422-R427 WeakPolarHBondContact O-CB 3.36Å; G422-R427 PolarHBondContact O-N 3Å; Q425-R427 PolarHBondContact O-N 3.23Å; R427-A431 HydrophobicContact CG-CB 4.02Å; R427-Q432 HydrophobicContact CB-CG 4.05Å; R427-Q432 HydrophobicContact CG-CG 4.07Å; R427-Q432 PolarHBondContact O-NE2 2.94Å
428	P	90.9	Very high	91.1	Very high	80 Å²	80	65.3 Å²	65.3	52%	0.519	31%	0.314	S	S	.	.			trans	-50.5	146.6	177.9	-28.5	34.9	0	0	0	113.2	E430 A431 Q432	P428-E430 VanDerWaalsContact C-N 3.26Å; P428-E430 WeakPolarHBondContact CB-OE2 3.42Å; P428-E430 PolarHBondContact O-N 2.94Å; P428-A431 PolarHBondContact O-N 3.25Å; P428-Q432 PolarHBondContact O-N 2.89Å
429	S	88.9	Confident	91.1	Very high	30 Å²	30	61.9 Å²	61.9	21%	0.21	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-38.3	-171.8	-156.2	0	0	0	0	111.2	D270 A431 Q432 S433	D270-S429 VanDerWaalsContact CG-OG 3.26Å; D270-S429 PolarHBondContact OD1-OG 2.65Å; D270-S429 WeakPolarHBondContact OD2-CB 3.49Å; D270-S429 PolarHBondContact OD2-OG 2.81Å; S429-A431 PolarHBondContact O-N 2.96Å; S429-Q432 CarbonylContact O-C 3.59Å; S429-Q432 PolarHBondContact O-N 2.91Å; S429-Q432 VanDerWaalsContact O-N 3.14Å; S429-S433 WeakPolarHBondContact O-CB 3.34Å; S429-S433 PolarHBondContact O-N 3.22Å
430	E	88.4	Confident	91.3	Very high	127 Å²	127	62 Å²	62	59%	0.593	30%	0.298	S	S	*	.	H	α-helix	trans	-58.2	-46.6	177.7	-52	72.4	-159.5	0	0	110.9	P428 Q432 S433 V434	P428-E430 VanDerWaalsContact C-N 3.26Å; P428-E430 WeakPolarHBondContact CB-OE2 3.42Å; P428-E430 PolarHBondContact O-N 2.94Å; E430-Q432 VanDerWaalsContact C-N 3.33Å; E430-Q432 PolarHBondContact O-N 3.38Å; E430-S433 WeakPolarHBondContact O-CB 3.37Å; E430-S433 PolarHBondContact O-N 3.29Å; E430-V434 WeakPolarHBondContact O-CG2 3.37Å; E430-V434 PolarHBondContact O-N 3.41Å
431	A	90.1	Very high	91.4	Very high	42 Å²	42	60.9 Å²	60.9	35%	0.347	29%	0.293	S	S	.	.	H	α-helix	trans	-70.7	-28.2	179.2	0	0	0	0	0	112.6	R427 P428 S429 I435	R427-A431 HydrophobicContact CG-CB 4.02Å; P428-A431 PolarHBondContact O-N 3.25Å; S429-A431 PolarHBondContact O-N 2.96Å; A431-I435 WeakPolarHBondContact O-CD1 3.23Å; A431-I435 WeakPolarHBondContact O-CG1 3.4Å; A431-I435 PolarHBondContact O-N 3.36Å
432	Q	92.3	Very high	91.5	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.028	29%	0.289	C	S	.	.	H	α-helix	trans	-78.8	-32.7	171.1	-63.6	-166.7	85.3	0	0	111.9	F272 L419 R427 P428 S429 E430 I435 L436	F272-Q432 HydrophobicContact CB-CB 4Å; F272-Q432 HydrophobicContact CD1-CB 3.75Å; F272-Q432 HydrophobicContact CD2-CB 3.54Å; F272-Q432 HydrophobicContact CE1-CB 4.16Å; F272-Q432 HydrophobicContact CE1-CG 4.49Å; F272-Q432 HydrophobicContact CE2-CB 3.96Å; F272-Q432 HydrophobicContact CG-CB 3.43Å; F272-Q432 VanDerWaalsContact CG-CB 3.43Å; F272-Q432 HydrophobicContact CZ-CB 4.26Å; L419-Q432 HydrophobicContact CD2-CB 4.27Å; L419-Q432 PolarHBondContact O-OE1 3.44Å; R427-Q432 HydrophobicContact CB-CG 4.05Å; R427-Q432 HydrophobicContact CG-CG 4.07Å; R427-Q432 PolarHBondContact O-NE2 2.94Å; P428-Q432 PolarHBondContact O-N 2.89Å; S429-Q432 CarbonylContact O-C 3.59Å; S429-Q432 PolarHBondContact O-N 2.91Å; S429-Q432 VanDerWaalsContact O-N 3.14Å; E430-Q432 VanDerWaalsContact C-N 3.33Å; E430-Q432 PolarHBondContact O-N 3.38Å; Q432-I435 PolarHBondContact O-N 2.86Å; Q432-L436 WeakPolarHBondContact O-CB 3.45Å; Q432-L436 PolarHBondContact O-N 2.98Å
433	S	92.1	Very high	91.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-45.6	171.6	-98.3	0	0	0	0	111.3	D270 I271 F272 S429 E430 I435 L436 R437	D270-S433 PolarHBondContact OD1-OG 3.23Å; I271-S433 VanDerWaalsContact CG2-OG 3.31Å; I271-S433 WeakPolarHBondContact CG2-OG 3.15Å; I271-S433 PolarHBondContact N-OG 2.8Å; F272-S433 WeakPolarHBondContact CB-OG 3.44Å; F272-S433 PolarHBondContact N-OG 3.21Å; S429-S433 WeakPolarHBondContact O-CB 3.34Å; S429-S433 PolarHBondContact O-N 3.22Å; E430-S433 WeakPolarHBondContact O-CB 3.37Å; E430-S433 PolarHBondContact O-N 3.29Å; S433-I435 VanDerWaalsContact C-N 3.34Å; S433-I435 PolarHBondContact O-N 3.1Å; S433-L436 PolarHBondContact O-N 3.21Å; S433-R437 WeakPolarHBondContact O-CB 3.48Å; S433-R437 VanDerWaalsContact O-CG 3.26Å; S433-R437 WeakPolarHBondContact O-CG 3.37Å; S433-R437 PolarHBondContact O-N 3.06Å
434	V	91.3	Very high	92.2	Very high	89 Å²	89	58.8 Å²	58.8	54%	0.539	28%	0.284	S	S	.	.	H	α-helix	trans	-58	-44.7	174	169.8	0	0	0	0	111.9	E430 L436 R438	E430-V434 WeakPolarHBondContact O-CG2 3.37Å; E430-V434 PolarHBondContact O-N 3.41Å; V434-L436 PolarHBondContact O-N 2.88Å; V434-R438 WeakPolarHBondContact O-CB 3.49Å; V434-R438 PolarHBondContact O-N 3.37Å
435	I	93.3	Very high	92.5	Very high	32 Å²	32	56 Å²	56	16%	0.164	27%	0.271	C	S	.	.	H	α-helix	trans	-60.1	-46.2	176.7	-72.7	166.5	0	0	0	111	I415 Q418 L419 A431 Q432 S433 R438 Y439	I415-I435 HydrophobicContact CD1-CG2 3.45Å; I415-I435 VanDerWaalsContact CD1-CG2 3.45Å; Q418-I435 HydrophobicContact CG-CD1 4.41Å; Q418-I435 HydrophobicContact CG-CG2 4.34Å; L419-I435 HydrophobicContact CD2-CG2 4Å; A431-I435 WeakPolarHBondContact O-CD1 3.23Å; A431-I435 WeakPolarHBondContact O-CG1 3.4Å; A431-I435 PolarHBondContact O-N 3.36Å; Q432-I435 PolarHBondContact O-N 2.86Å; S433-I435 VanDerWaalsContact C-N 3.34Å; S433-I435 PolarHBondContact O-N 3.1Å; I435-R438 PolarHBondContact O-N 3.19Å; I435-Y439 PolarHBondContact O-N 3.34Å; I435-Y439 VanDerWaalsContact O-N 3.08Å
436	L	93.8	Very high	92.8	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-71.4	-39.5	-178.3	-176.2	56.9	0	0	0	112.8	I271 F275 L419 Q432 S433 V434 Y439 F440	I271-L436 HydrophobicContact CG1-CD2 4Å; I271-L436 HydrophobicContact CG1-CG 4.44Å; I271-L436 HydrophobicContact CG2-CD2 4.45Å; F275-L436 HydrophobicContact CB-CD2 3.75Å; F275-L436 HydrophobicContact CD2-CD2 4.46Å; F275-L436 HydrophobicContact CG-CD2 4.02Å; L419-L436 HydrophobicContact CD1-CD1 4.35Å; Q432-L436 WeakPolarHBondContact O-CB 3.45Å; Q432-L436 PolarHBondContact O-N 2.98Å; S433-L436 PolarHBondContact O-N 3.21Å; V434-L436 PolarHBondContact O-N 2.88Å; L436-Y439 HydrophobicContact CD1-CD1 4.37Å; L436-Y439 PolarHBondContact O-N 2.8Å; L436-F440 HydrophobicContact CD1-CD2 3.95Å; L436-F440 HydrophobicContact CD1-CE2 3.44Å; L436-F440 VanDerWaalsContact CD1-CE2 3.44Å; L436-F440 HydrophobicContact CD1-CZ 3.82Å; L436-F440 HydrophobicContact CD2-CE2 4.14Å; L436-F440 HydrophobicContact CG-CD2 3.94Å; L436-F440 HydrophobicContact CG-CE2 3.57Å; L436-F440 HydrophobicContact CG-CZ 4.4Å; L436-F440 VanDerWaalsContact O-CD2 3.25Å; L436-F440 WeakPolarHBondContact O-CD2 3.37Å; L436-F440 PolarHBondContact O-N 3.01Å; L436-F440 VanDerWaalsContact O-N 3.09Å
437	R	92.4	Very high	93.2	Very high	63 Å²	63	42.3 Å²	42.3	24%	0.238	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-43.6	172.7	-69.3	174.6	-162.8	155.8	1.5	111.1	E268 V269 I271 S433 F440 L441	E268-R437 WeakPolarHBondContact OE1-CD 3.22Å; E268-R437 IonicContact OE1-CZ 3.59Å; E268-R437 IonicContact OE1-NE 3.76Å; E268-R437 PolarHBondContact OE1-NE 3.44Å; E268-R437 IonicContact OE1-NH1 2.68Å; E268-R437 PolarHBondContact OE1-NH1 3.31Å; E268-R437 IonicContact OE2-CZ 3.24Å; E268-R437 IonicContact OE2-NH1 3.68Å; E268-R437 PolarHBondContact OE2-NH1 2.98Å; E268-R437 IonicContact OE2-NH2 2.79Å; V269-R437 PolarHBondContact O-NH2 3.13Å; I271-R437 HydrophobicContact CG2-CG 3.74Å; S433-R437 WeakPolarHBondContact O-CB 3.48Å; S433-R437 VanDerWaalsContact O-CG 3.26Å; S433-R437 WeakPolarHBondContact O-CG 3.37Å; S433-R437 PolarHBondContact O-N 3.06Å; R437-F440 PolarHBondContact O-N 3.31Å; R437-L441 VanDerWaalsContact O-CB 3.26Å; R437-L441 WeakPolarHBondContact O-CB 3.45Å; R437-L441 PolarHBondContact O-N 3.02Å
438	R	93.1	Very high	93.4	Very high	156 Å²	156	40.2 Å²	40.2	59%	0.589	20%	0.204	S	C	*	.	H	α-helix	trans	-61.5	-46.3	177.3	-179	176.4	173.9	164.7	4.1	112	V434 I435 F440 L441 E442	V434-R438 WeakPolarHBondContact O-CB 3.49Å; V434-R438 PolarHBondContact O-N 3.37Å; I435-R438 PolarHBondContact O-N 3.19Å; R438-F440 PolarHBondContact O-N 2.76Å; R438-L441 PolarHBondContact O-N 2.86Å; R438-E442 HydrophobicContact CG-CG 4.34Å; R438-E442 IonicContact CZ-OE1 3.52Å; R438-E442 IonicContact NE-OE1 2.76Å; R438-E442 PolarHBondContact NE-OE1 3.38Å; R438-E442 IonicContact NE-OE2 2.96Å; R438-E442 IonicContact NH2-OE1 2.81Å; R438-E442 PolarHBondContact NH2-OE1 3.45Å; R438-E442 WeakPolarHBondContact O-CG 3.19Å; R438-E442 PolarHBondContact O-N 2.87Å
439	Y	94.9	Very high	93.6	Very high	17 Å²	17	39.4 Å²	39.4	7%	0.067	20%	0.195	C	C	.	.	H	α-helix	trans	-56	-50.1	175.6	168.2	-100.4	0	0	0	112.1	D412 I415 I435 L436 L441 L443 I497	D412-Y439 HydrophobicContact CB-CE2 3.74Å; I415-Y439 HydrophobicContact CB-CD2 3.96Å; I415-Y439 HydrophobicContact CB-CE2 4.27Å; I415-Y439 HydrophobicContact CB-CG 4.36Å; I415-Y439 HydrophobicContact CD1-CD2 4.43Å; I415-Y439 HydrophobicContact CD1-CG 4.23Å; I415-Y439 HydrophobicContact CG1-CD1 4.37Å; I415-Y439 HydrophobicContact CG1-CD2 3.94Å; I415-Y439 HydrophobicContact CG1-CG 3.82Å; I415-Y439 HydrophobicContact CG2-CD2 3.99Å; I415-Y439 HydrophobicContact CG2-CE2 3.82Å; I415-Y439 HydrophobicContact CG2-CG 4.44Å; I435-Y439 PolarHBondContact O-N 3.34Å; I435-Y439 VanDerWaalsContact O-N 3.08Å; L436-Y439 HydrophobicContact CD1-CD1 4.37Å; L436-Y439 PolarHBondContact O-N 2.8Å; Y439-L441 PolarHBondContact O-N 2.96Å; Y439-L443 HydrophobicContact CE1-CD2 4.21Å; Y439-L443 VanDerWaalsContact O-CB 3.25Å; Y439-L443 WeakPolarHBondContact O-CB 3.48Å; Y439-L443 PolarHBondContact O-N 3.19Å; Y439-I497 HydrophobicContact CE2-CD1 4.08Å; Y439-I497 WeakPolarHBondContact OH-CD1 3.49Å
440	F	95.8	Very high	94	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-38	178.5	-77	-43.3	0	0	0	113.1	I271 F275 W286 C315 L436 R437 R438 T444	I271-F440 HydrophobicContact CD1-CD2 3.83Å; I271-F440 HydrophobicContact CD1-CE2 3.78Å; I271-F440 HydrophobicContact CG1-CE2 4.47Å; F275-F440 HydrophobicContact CD1-CE2 4.46Å; F275-F440 HydrophobicContact CD1-CZ 4.16Å; F275-F440 HydrophobicContact CE1-CE2 4.04Å; F275-F440 AromaticContact CE1-CZ 3.6Å; F275-F440 HydrophobicContact CE1-CZ 3.6Å; F275-F440 HydrophobicContact CZ-CE2 4.06Å; F275-F440 AromaticContact CZ-CZ 3.95Å; F275-F440 HydrophobicContact CZ-CZ 3.95Å; W286-F440 HydrophobicContact CB-CD1 4.23Å; W286-F440 HydrophobicContact CB-CE1 3.92Å; W286-F440 AromaticContact CD1-CD1 3.92Å; W286-F440 HydrophobicContact CG-CD1 4.33Å; W286-F440 HydrophobicContact CG-CE1 4.49Å; C315-F440 HydrophobicContact CB-CD1 4.13Å; C315-F440 HydrophobicContact CB-CD2 3.77Å; C315-F440 HydrophobicContact CB-CE1 4.12Å; C315-F440 HydrophobicContact CB-CE2 3.72Å; C315-F440 HydrophobicContact CB-CG 3.98Å; C315-F440 HydrophobicContact CB-CZ 3.91Å; C315-F440 WeakPolarHBondContact O-CB 3.24Å; L436-F440 HydrophobicContact CD1-CD2 3.95Å; L436-F440 HydrophobicContact CD1-CE2 3.44Å; L436-F440 VanDerWaalsContact CD1-CE2 3.44Å; L436-F440 HydrophobicContact CD1-CZ 3.82Å; L436-F440 HydrophobicContact CD2-CE2 4.14Å; L436-F440 HydrophobicContact CG-CD2 3.94Å; L436-F440 HydrophobicContact CG-CE2 3.57Å; L436-F440 HydrophobicContact CG-CZ 4.4Å; L436-F440 VanDerWaalsContact O-CD2 3.25Å; L436-F440 WeakPolarHBondContact O-CD2 3.37Å; L436-F440 PolarHBondContact O-N 3.01Å; L436-F440 VanDerWaalsContact O-N 3.09Å; R437-F440 PolarHBondContact O-N 3.31Å; R438-F440 PolarHBondContact O-N 2.76Å; F440-T444 WeakPolarHBondContact O-CB 3.35Å; F440-T444 PolarHBondContact O-N 3.49Å; F440-T444 PolarHBondContact O-OG1 3.49Å
441	L	94.4	Very high	94.3	Very high	21 Å²	21	32.1 Å²	32.1	11%	0.11	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-53.3	175.8	173.4	62.2	0	0	0	112	P243 R437 R438 Y439 L443 T444 Q445	P243-L441 HydrophobicContact CB-CD1 3.69Å; P243-L441 HydrophobicContact CB-CD2 3.87Å; P243-L441 HydrophobicContact CB-CG 4.4Å; P243-L441 WeakPolarHBondContact O-CD2 3.39Å; R437-L441 VanDerWaalsContact O-CB 3.26Å; R437-L441 WeakPolarHBondContact O-CB 3.45Å; R437-L441 PolarHBondContact O-N 3.02Å; R438-L441 PolarHBondContact O-N 2.86Å; Y439-L441 PolarHBondContact O-N 2.96Å; L441-L443 VanDerWaalsContact C-N 3.3Å; L441-L443 PolarHBondContact O-N 3.45Å; L441-T444 PolarHBondContact O-N 3.14Å; L441-Q445 HydrophobicContact CD1-CG 3.99Å; L441-Q445 WeakPolarHBondContact O-CB 3.26Å; L441-Q445 VanDerWaalsContact O-CG 3.32Å; L441-Q445 WeakPolarHBondContact O-CG 3.23Å; L441-Q445 PolarHBondContact O-N 3.09Å
442	E	94.4	Very high	94.5	Very high	85 Å²	85	33.3 Å²	33.3	40%	0.397	16%	0.156	S	C	.	.	H	α-helix	trans	-63.6	-36.5	-178.9	-70.9	176.3	164.4	0	0	111.7	R438 S446	R438-E442 HydrophobicContact CG-CG 4.34Å; R438-E442 IonicContact CZ-OE1 3.52Å; R438-E442 IonicContact NE-OE1 2.76Å; R438-E442 PolarHBondContact NE-OE1 3.38Å; R438-E442 IonicContact NE-OE2 2.96Å; R438-E442 IonicContact NH2-OE1 2.81Å; R438-E442 PolarHBondContact NH2-OE1 3.45Å; R438-E442 WeakPolarHBondContact O-CG 3.19Å; R438-E442 PolarHBondContact O-N 2.87Å; E442-S446 WeakPolarHBondContact O-CB 3.47Å; E442-S446 PolarHBondContact O-N 2.94Å; E442-S446 VanDerWaalsContact O-N 3.11Å; E442-S446 PolarHBondContact O-OG 3.2Å
443	L	96	Very high	94.7	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-48.6	174.3	-179.4	55.1	0	0	0	112.1	W286 Y439 L441 S446 F447 I497 W501	W286-L443 HydrophobicContact CD2-CD2 3.63Å; W286-L443 HydrophobicContact CD2-CG 4.08Å; W286-L443 HydrophobicContact CE3-CD2 3.8Å; W286-L443 HydrophobicContact CE3-CG 4.29Å; W286-L443 HydrophobicContact CG-CD2 4.06Å; W286-L443 HydrophobicContact CH2-CD1 4.16Å; W286-L443 HydrophobicContact CH2-CD2 4.36Å; W286-L443 HydrophobicContact CH2-CG 3.95Å; W286-L443 HydrophobicContact CZ2-CD1 4.36Å; W286-L443 HydrophobicContact CZ2-CD2 4.21Å; W286-L443 HydrophobicContact CZ2-CG 3.71Å; W286-L443 HydrophobicContact CZ3-CD1 4.42Å; W286-L443 HydrophobicContact CZ3-CD2 4.17Å; W286-L443 HydrophobicContact CZ3-CG 4.24Å; Y439-L443 HydrophobicContact CE1-CD2 4.21Å; Y439-L443 VanDerWaalsContact O-CB 3.25Å; Y439-L443 WeakPolarHBondContact O-CB 3.48Å; Y439-L443 PolarHBondContact O-N 3.19Å; L441-L443 VanDerWaalsContact C-N 3.3Å; L441-L443 PolarHBondContact O-N 3.45Å; L443-S446 WeakPolarHBondContact O-CB 3.4Å; L443-S446 PolarHBondContact O-N 3.07Å; L443-F447 PolarHBondContact O-N 3.24Å; L443-F447 VanDerWaalsContact O-N 3.15Å; L443-I497 HydrophobicContact CD1-CD1 3.85Å; L443-I497 HydrophobicContact CD2-CD1 4.25Å; L443-W501 HydrophobicContact CD1-CH2 3.83Å
444	T	96.6	Very high	94.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.8	-39.7	-178.6	-48	0	0	0	0	111.5	W286 I316 L319 F440 L441 S446 F447 I448	W286-T444 PolarHBondContact NE1-OG1 2.77Å; I316-T444 WeakPolarHBondContact O-CG2 3.42Å; L319-T444 HydrophobicContact CB-CG2 4.1Å; F440-T444 WeakPolarHBondContact O-CB 3.35Å; F440-T444 PolarHBondContact O-N 3.49Å; F440-T444 PolarHBondContact O-OG1 3.49Å; L441-T444 PolarHBondContact O-N 3.14Å; T444-S446 VanDerWaalsContact C-N 3.32Å; T444-S446 PolarHBondContact O-N 2.74Å; T444-F447 WeakPolarHBondContact O-CB 3.37Å; T444-F447 PolarHBondContact O-N 2.81Å; T444-F447 VanDerWaalsContact O-N 3.14Å; T444-I448 HydrophobicContact CG2-CD1 3.71Å; T444-I448 HydrophobicContact CG2-CG1 4.28Å; T444-I448 VanDerWaalsContact O-CG1 3.27Å; T444-I448 WeakPolarHBondContact O-CG1 3.24Å; T444-I448 PolarHBondContact O-N 2.82Å
445	Q	94.9	Very high	95	Very high	65 Å²	65	35.7 Å²	35.7	30%	0.304	16%	0.155	S	C	.	.	H	α-helix	trans	-58.4	-44.2	172.2	-75.6	177.9	-27.2	0	0	111.6	P318 L441 F447 I448 I449	P318-Q445 HydrophobicContact CG-CG 4.36Å; L441-Q445 HydrophobicContact CD1-CG 3.99Å; L441-Q445 WeakPolarHBondContact O-CB 3.26Å; L441-Q445 VanDerWaalsContact O-CG 3.32Å; L441-Q445 WeakPolarHBondContact O-CG 3.23Å; L441-Q445 PolarHBondContact O-N 3.09Å; Q445-F447 PolarHBondContact O-N 3.13Å; Q445-I448 PolarHBondContact O-N 2.86Å; Q445-I448 VanDerWaalsContact O-N 3.11Å; Q445-I449 WeakPolarHBondContact O-CD1 3.46Å; Q445-I449 VanDerWaalsContact O-CG1 3.24Å; Q445-I449 WeakPolarHBondContact O-CG1 3.33Å; Q445-I449 PolarHBondContact O-N 2.88Å
446	S	95.9	Very high	95	Very high	8 Å²	8	37 Å²	37	6%	0.056	17%	0.171	C	C	.	.	H	α-helix	trans	-60.8	-32.5	176.4	-65.6	0	0	0	0	113.5	E442 L443 T444 P450 P491 T494	E442-S446 WeakPolarHBondContact O-CB 3.47Å; E442-S446 PolarHBondContact O-N 2.94Å; E442-S446 VanDerWaalsContact O-N 3.11Å; E442-S446 PolarHBondContact O-OG 3.2Å; L443-S446 WeakPolarHBondContact O-CB 3.4Å; L443-S446 PolarHBondContact O-N 3.07Å; T444-S446 VanDerWaalsContact C-N 3.32Å; T444-S446 PolarHBondContact O-N 2.74Å; S446-P450 WeakPolarHBondContact O-CD 3.4Å; S446-P491 WeakPolarHBondContact O-CB 3.13Å; S446-P491 WeakPolarHBondContact O-CG 3.33Å; S446-T494 WeakPolarHBondContact CA-OG1 3.42Å; S446-T494 WeakPolarHBondContact CB-OG1 3.24Å; S446-T494 PolarHBondContact OG-OG1 2.75Å
447	F	97	Very high	95	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-76.7	-32.3	173.8	-179.5	-95.4	0	0	0	113.3	W286 L290 L443 T444 Q445 L451 W501 L504 Y505 F508	W286-F447 HydrophobicContact CH2-CB 4.17Å; W286-F447 HydrophobicContact CH2-CD2 4.38Å; W286-F447 HydrophobicContact CH2-CG 4.31Å; W286-F447 HydrophobicContact CZ2-CB 4.17Å; W286-F447 HydrophobicContact CZ2-CG 4.5Å; L290-F447 HydrophobicContact CD1-CD1 4.01Å; L290-F447 HydrophobicContact CD1-CE1 3.8Å; L290-F447 HydrophobicContact CD1-CZ 4.48Å; L290-F447 HydrophobicContact CD2-CD1 4.05Å; L290-F447 HydrophobicContact CD2-CD2 4.2Å; L290-F447 HydrophobicContact CD2-CE1 3.91Å; L290-F447 HydrophobicContact CD2-CE2 4.04Å; L290-F447 HydrophobicContact CD2-CG 4.2Å; L290-F447 HydrophobicContact CD2-CZ 3.9Å; L290-F447 HydrophobicContact CG-CE1 4.26Å; L290-F447 HydrophobicContact CG-CZ 4.48Å; L443-F447 PolarHBondContact O-N 3.24Å; L443-F447 VanDerWaalsContact O-N 3.15Å; T444-F447 WeakPolarHBondContact O-CB 3.37Å; T444-F447 PolarHBondContact O-N 2.81Å; T444-F447 VanDerWaalsContact O-N 3.14Å; Q445-F447 PolarHBondContact O-N 3.13Å; F447-L451 HydrophobicContact CD1-CD1 4.42Å; F447-L451 HydrophobicContact CE1-CD1 3.87Å; F447-L451 HydrophobicContact CZ-CD1 4.3Å; F447-W501 HydrophobicContact CB-CZ3 4.31Å; F447-W501 HydrophobicContact CD2-CE3 4.29Å; F447-W501 HydrophobicContact CD2-CZ3 4.05Å; F447-L504 HydrophobicContact CD2-CD2 4.07Å; F447-L504 HydrophobicContact CE2-CD2 3.96Å; F447-L504 HydrophobicContact CE2-CG 4.05Å; F447-Y505 HydrophobicContact CD1-CE1 4.46Å; F447-Y505 HydrophobicContact CD2-CD1 4.23Å; F447-Y505 AromaticContact CD2-CE1 3.66Å; F447-Y505 HydrophobicContact CD2-CE1 3.66Å; F447-Y505 HydrophobicContact CD2-CE2 4.44Å; F447-Y505 AromaticContact CD2-CZ 3.8Å; F447-Y505 HydrophobicContact CE1-CD1 4.44Å; F447-Y505 HydrophobicContact CE1-CE1 4.12Å; F447-Y505 AromaticContact CE2-CD1 3.39Å; F447-Y505 HydrophobicContact CE2-CD1 3.39Å; F447-Y505 HydrophobicContact CE2-CD2 4.41Å; F447-Y505 AromaticContact CE2-CE1 3.26Å; F447-Y505 HydrophobicContact CE2-CE1 3.26Å; F447-Y505 HydrophobicContact CE2-CE2 4.33Å; F447-Y505 AromaticContact CE2-CG 3.99Å; F447-Y505 HydrophobicContact CE2-CG 3.99Å; F447-Y505 AromaticContact CE2-CZ 3.8Å; F447-Y505 HydrophobicContact CG-CE1 4.25Å; F447-Y505 AromaticContact CZ-CD1 3.51Å; F447-Y505 HydrophobicContact CZ-CD1 3.51Å; F447-Y505 AromaticContact CZ-CE1 3.52Å; F447-Y505 HydrophobicContact CZ-CE1 3.52Å; F447-Y505 HydrophobicContact CZ-CG 4.43Å; F447-Y505 PolarHBondContact O-OH 2.91Å; F447-F508 AromaticContact CE1-CD1 3.69Å; F447-F508 HydrophobicContact CE1-CD1 3.69Å; F447-F508 HydrophobicContact CE1-CD2 4.11Å; F447-F508 AromaticContact CE1-CE1 3.76Å; F447-F508 HydrophobicContact CE1-CE1 3.76Å; F447-F508 HydrophobicContact CE1-CE2 4.18Å; F447-F508 AromaticContact CE1-CG 3.87Å; F447-F508 HydrophobicContact CE1-CG 3.87Å; F447-F508 HydrophobicContact CE1-CZ 4.02Å; F447-F508 HydrophobicContact CZ-CB 3.79Å; F447-F508 AromaticContact CZ-CD1 3.55Å; F447-F508 HydrophobicContact CZ-CD1 3.55Å; F447-F508 HydrophobicContact CZ-CD2 4.11Å; F447-F508 HydrophobicContact CZ-CE1 4.13Å; F447-F508 AromaticContact CZ-CG 3.54Å; F447-F508 HydrophobicContact CZ-CG 3.54Å
448	I	95.4	Very high	95	Very high	14 Å²	14	36.6 Å²	36.6	7%	0.072	18%	0.177	C	C	.	.	H	α-helix	trans	-79.4	-37.3	-178.1	-68.1	165.4	0	0	0	112.2	P318 L319 T444 Q445 L451 E452	P318-I448 HydrophobicContact CG-CD1 3.98Å; L319-I448 HydrophobicContact CB-CD1 4.09Å; L319-I448 HydrophobicContact CD1-CD1 4.33Å; L319-I448 HydrophobicContact CD1-CG1 4.46Å; T444-I448 HydrophobicContact CG2-CD1 3.71Å; T444-I448 HydrophobicContact CG2-CG1 4.28Å; T444-I448 VanDerWaalsContact O-CG1 3.27Å; T444-I448 WeakPolarHBondContact O-CG1 3.24Å; T444-I448 PolarHBondContact O-N 2.82Å; Q445-I448 PolarHBondContact O-N 2.86Å; Q445-I448 VanDerWaalsContact O-N 3.11Å; I448-L451 WeakPolarHBondContact O-CB 3.48Å; I448-L451 PolarHBondContact O-N 3.08Å; I448-E452 HydrophobicContact CG2-CG 3.6Å; I448-E452 PolarHBondContact O-N 2.92Å
449	I	95.6	Very high	95	Very high	63 Å²	63	31.2 Å²	31.2	32%	0.323	16%	0.159	S	C	.	.	H	α-helix	trans	-52.1	-44.6	-172	-76.7	161	0	0	0	114.1	Q445 R453 T494	Q445-I449 WeakPolarHBondContact O-CD1 3.46Å; Q445-I449 VanDerWaalsContact O-CG1 3.24Å; Q445-I449 WeakPolarHBondContact O-CG1 3.33Å; Q445-I449 PolarHBondContact O-N 2.88Å; I449-R453 WeakPolarHBondContact O-CB 3.47Å; I449-R453 PolarHBondContact O-N 2.92Å; I449-T494 HydrophobicContact CD1-CG2 4.35Å
450	P	96	Very high	94.7	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.013	16%	0.163	C	C	.	.	H	α-helix	trans	-68.9	-38	177.7	-22.1	36.2	0	0	0	113.1	S446 R453 Y454 F482 L486 P491 Y505	S446-P450 WeakPolarHBondContact O-CD 3.4Å; P450-R453 PolarHBondContact O-N 2.81Å; P450-Y454 PolarHBondContact O-N 3.41Å; P450-F482 HydrophobicContact CB-CE2 4.33Å; P450-L486 HydrophobicContact CB-CD2 3.8Å; P450-L486 HydrophobicContact CG-CD2 4.45Å; P450-P491 HydrophobicContact CG-CG 4.12Å; P450-Y505 WeakPolarHBondContact CG-OH 3.47Å
451	L	95.5	Very high	94.3	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-46.7	176.1	-77.7	166.2	0	0	0	111.1	F447 I448 R453 Y454 V455 F477 F482 Y505 F508 L509 F514 W517	F447-L451 HydrophobicContact CD1-CD1 4.42Å; F447-L451 HydrophobicContact CE1-CD1 3.87Å; F447-L451 HydrophobicContact CZ-CD1 4.3Å; I448-L451 WeakPolarHBondContact O-CB 3.48Å; I448-L451 PolarHBondContact O-N 3.08Å; L451-R453 PolarHBondContact O-N 3.15Å; L451-Y454 PolarHBondContact O-N 3.47Å; L451-V455 WeakPolarHBondContact O-CB 3.34Å; L451-V455 WeakPolarHBondContact O-CG2 3.32Å; L451-V455 PolarHBondContact O-N 3.2Å; L451-F477 HydrophobicContact CD2-CE2 4.45Å; L451-F477 HydrophobicContact CD2-CZ 4.3Å; L451-F482 HydrophobicContact CD2-CD1 4.42Å; L451-F482 HydrophobicContact CD2-CE1 3.72Å; L451-F482 HydrophobicContact CD2-CE2 3.86Å; L451-F482 HydrophobicContact CD2-CZ 3.39Å; L451-F482 HydrophobicContact CG-CE1 4.42Å; L451-F482 HydrophobicContact CG-CE2 4.18Å; L451-F482 HydrophobicContact CG-CZ 3.7Å; L451-Y505 HydrophobicContact CD1-CD1 4.19Å; L451-Y505 HydrophobicContact CD1-CE1 3.73Å; L451-Y505 HydrophobicContact CD2-CD1 4.47Å; L451-Y505 HydrophobicContact CD2-CE1 4.42Å; L451-Y505 HydrophobicContact CG-CD1 4.26Å; L451-Y505 HydrophobicContact CG-CE1 3.76Å; L451-F508 HydrophobicContact CD1-CD1 4.05Å; L451-F508 HydrophobicContact CD1-CE1 3.66Å; L451-L509 HydrophobicContact CD2-CD2 4.17Å; L451-F514 HydrophobicContact CD2-CE2 4.45Å; L451-W517 HydrophobicContact CB-CH2 3.69Å; L451-W517 HydrophobicContact CB-CZ2 4.14Å; L451-W517 HydrophobicContact CB-CZ3 4.29Å; L451-W517 HydrophobicContact CD2-CZ3 4.48Å
452	E	94.8	Very high	93.8	Very high	67 Å²	67	42.8 Å²	42.8	31%	0.313	22%	0.218	S	C	.	.	H	α-helix	trans	-63.6	-40.2	176.2	-77.8	-165.9	132.1	0	0	112.5	I448 V455 A456 W517 R521	I448-E452 HydrophobicContact CG2-CG 3.6Å; I448-E452 PolarHBondContact O-N 2.92Å; E452-V455 PolarHBondContact O-N 2.88Å; E452-A456 WeakPolarHBondContact O-CB 3.48Å; E452-A456 PolarHBondContact O-N 2.61Å; E452-W517 HydrophobicContact CG-CZ2 3.97Å; E452-R521 IonicContact OE1-CZ 3.45Å; E452-R521 IonicContact OE1-NH2 3.26Å; E452-R521 PolarHBondContact OE1-NH2 3.21Å
453	R	94.8	Very high	93.3	Very high	135 Å²	135	47.7 Å²	47.7	51%	0.509	24%	0.239	S	C	.	.	H	α-helix	trans	-61	-46.2	176.3	-175.1	-179.9	-61.6	-169	1.3	111.9	I449 P450 L451 S457	I449-R453 WeakPolarHBondContact O-CB 3.47Å; I449-R453 PolarHBondContact O-N 2.92Å; P450-R453 PolarHBondContact O-N 2.81Å; L451-R453 PolarHBondContact O-N 3.15Å; R453-S457 PolarHBondContact O-N 3.27Å
454	Y	95.4	Very high	92.7	Very high	9 Å²	9	50.5 Å²	50.5	4%	0.035	26%	0.259	C	S	.	.	H	α-helix	trans	-67.9	-45.7	178.3	178.7	-106.4	0	0	0	111.6	P450 L451 A456 S457 L458 F477 L478 E481 F482 T485	P450-Y454 PolarHBondContact O-N 3.41Å; L451-Y454 PolarHBondContact O-N 3.47Å; Y454-A456 PolarHBondContact O-N 3.3Å; Y454-S457 WeakPolarHBondContact O-CA 3.42Å; Y454-S457 WeakPolarHBondContact O-CB 3.29Å; Y454-S457 PolarHBondContact O-N 2.78Å; Y454-S457 PolarHBondContact O-OG 3.22Å; Y454-L458 HydrophobicContact CE1-CD1 4.4Å; Y454-L458 HydrophobicContact CE1-CD2 4.28Å; Y454-L458 PolarHBondContact O-N 3.26Å; Y454-F477 AromaticContact CD1-CD2 3.74Å; Y454-F477 HydrophobicContact CD1-CD2 3.74Å; Y454-F477 AromaticContact CD1-CE2 3.51Å; Y454-F477 HydrophobicContact CD1-CE2 3.51Å; Y454-F477 HydrophobicContact CD1-CZ 4.11Å; Y454-F477 HydrophobicContact CE1-CD1 4.37Å; Y454-F477 AromaticContact CE1-CD2 3.57Å; Y454-F477 HydrophobicContact CE1-CD2 3.57Å; Y454-F477 HydrophobicContact CE1-CE1 4.47Å; Y454-F477 AromaticContact CE1-CE2 3.71Å; Y454-F477 HydrophobicContact CE1-CE2 3.71Å; Y454-F477 AromaticContact CE1-CG 3.92Å; Y454-F477 HydrophobicContact CE1-CG 3.92Å; Y454-F477 HydrophobicContact CE1-CZ 4.15Å; Y454-L478 PolarHBondContact OH-N 2.94Å; Y454-L478 PolarHBondContact OH-O 3.15Å; Y454-E481 HydrophobicContact CE2-CB 4.35Å; Y454-E481 HydrophobicContact CE2-CG 3.99Å; Y454-E481 WeakPolarHBondContact CE2-OE2 3.49Å; Y454-E481 PolarHBondContact OH-OE2 3.01Å; Y454-F482 HydrophobicContact CD1-CB 3.84Å; Y454-F482 AromaticContact CD1-CD2 3.91Å; Y454-F482 HydrophobicContact CD1-CD2 3.91Å; Y454-F482 HydrophobicContact CD1-CG 4.2Å; Y454-F482 HydrophobicContact CE1-CB 3.88Å; Y454-F482 HydrophobicContact CG-CB 4.17Å; Y454-F482 AromaticContact CG-CD2 3.81Å; Y454-F482 HydrophobicContact CG-CD2 3.81Å; Y454-F482 HydrophobicContact CG-CG 4.44Å; Y454-T485 HydrophobicContact CD2-CG2 4.2Å
455	V	94.7	Very high	92.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-39.4	178.1	170.4	0	0	0	0	112.1	L451 E452 S457 L458 F477 W517 F518 R521 M525	L451-V455 WeakPolarHBondContact O-CB 3.34Å; L451-V455 WeakPolarHBondContact O-CG2 3.32Å; L451-V455 PolarHBondContact O-N 3.2Å; E452-V455 PolarHBondContact O-N 2.88Å; V455-S457 PolarHBondContact O-N 3.43Å; V455-L458 WeakPolarHBondContact O-CB 3.42Å; V455-L458 PolarHBondContact O-N 3.35Å; V455-F477 HydrophobicContact CG2-CD2 3.8Å; V455-F477 HydrophobicContact CG2-CE2 3.86Å; V455-W517 HydrophobicContact CB-CH2 4.21Å; V455-W517 HydrophobicContact CG2-CH2 3.63Å; V455-W517 HydrophobicContact CG2-CZ3 3.93Å; V455-F518 HydrophobicContact CG1-CE2 4.48Å; V455-F518 HydrophobicContact CG2-CD2 4.1Å; V455-F518 HydrophobicContact CG2-CE2 4.06Å; V455-R521 HydrophobicContact CG1-CB 4.44Å; V455-R521 HydrophobicContact CG1-CG 3.65Å; V455-M525 HydrophobicContact CG1-CE 4.23Å; V455-M525 HydrophobicContact CG1-SD 3.39Å; V455-M525 WeakPolarHBondContact CG1-SD 3.26Å; V455-M525 WeakPolarHBondContact O-CE 3.46Å
456	A	93.1	Very high	91.8	Very high	60 Å²	60	50.3 Å²	50.3	50%	0.496	26%	0.262	S	S	.	.	H	α-helix	trans	-61	-33.4	171.9	0	0	0	0	0	112.4	E452 Y454 L458 M459	E452-A456 WeakPolarHBondContact O-CB 3.48Å; E452-A456 PolarHBondContact O-N 2.61Å; Y454-A456 PolarHBondContact O-N 3.3Å; A456-L458 PolarHBondContact O-N 2.87Å; A456-M459 WeakPolarHBondContact O-CB 3.32Å; A456-M459 WeakPolarHBondContact O-CG 3.32Å; A456-M459 PolarHBondContact O-N 2.91Å
457	S	93.5	Very high	91.3	Very high	53 Å²	53	50.7 Å²	50.7	37%	0.371	27%	0.265	S	S	.	.	H	α-helix	trans	-67.9	-20.4	175.1	87.7	0	0	0	0	113.4	R453 Y454 V455 M459 R475	R453-S457 PolarHBondContact O-N 3.27Å; Y454-S457 WeakPolarHBondContact O-CA 3.42Å; Y454-S457 WeakPolarHBondContact O-CB 3.29Å; Y454-S457 PolarHBondContact O-N 2.78Å; Y454-S457 PolarHBondContact O-OG 3.22Å; V455-S457 PolarHBondContact O-N 3.43Å; S457-M459 PolarHBondContact O-N 3.18Å; S457-R475 PolarHBondContact O-NH2 3.06Å
458	L	93.3	Very high	90.6	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.8	176.8	-56.2	176.8	0	0	0	113.4	Y454 V455 A456 R475 Q476 F477 F518 M525	Y454-L458 HydrophobicContact CE1-CD1 4.4Å; Y454-L458 HydrophobicContact CE1-CD2 4.28Å; Y454-L458 PolarHBondContact O-N 3.26Å; V455-L458 WeakPolarHBondContact O-CB 3.42Å; V455-L458 PolarHBondContact O-N 3.35Å; A456-L458 PolarHBondContact O-N 2.87Å; L458-R475 HydrophobicContact CB-CB 4.12Å; L458-R475 HydrophobicContact CD2-CB 3.89Å; L458-R475 PolarHBondContact O-N 3.43Å; L458-Q476 WeakPolarHBondContact CD2-O 3.39Å; L458-F477 HydrophobicContact CD1-CB 3.96Å; L458-F477 HydrophobicContact CD1-CD2 4.19Å; L458-F518 HydrophobicContact CD1-CE2 4.45Å; L458-M525 HydrophobicContact CB-CE 4.04Å
459	M	92.4	Very high	90.1	Very high	42 Å²	42	61.5 Å²	61.5	21%	0.207	31%	0.309	C	S	.	.	S	Bend	trans	-60.2	138.3	170.8	-71.1	-63.2	-67.6	0	0	111.7	A456 S457 L474 M525 L529	A456-M459 WeakPolarHBondContact O-CB 3.32Å; A456-M459 WeakPolarHBondContact O-CG 3.32Å; A456-M459 PolarHBondContact O-N 2.91Å; S457-M459 PolarHBondContact O-N 3.18Å; M459-L474 HydrophobicContact SD-CD2 3.81Å; M459-M525 HydrophobicContact CG-CE 3.91Å; M459-M525 HydrophobicContact SD-CB 3.72Å; M459-M525 HydrophobicContact SD-CE 3.68Å; M459-M525 HydrophobicContact SD-CG 3.8Å; M459-L529 HydrophobicContact CE-CB 4.3Å; M459-L529 HydrophobicContact CE-CD1 4.45Å
460	P	89.7	Confident	89.3	Confident	23 Å²	23	63.7 Å²	63.7	15%	0.149	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-58.8	153.4	162.4	-25.4	36.6	0	0	0	111.8	P472 L529	P460-P472 HydrophobicContact CB-CB 3.94Å; P460-P472 HydrophobicContact CB-CG 3.62Å; P460-P472 HydrophobicContact CG-CB 3.89Å; P460-P472 HydrophobicContact CG-CG 3.81Å; P460-L529 HydrophobicContact CG-CD2 4.05Å
461	L	87.5	Confident	88.7	Confident	115 Å²	115	66 Å²	66	60%	0.602	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-71.3	144.5	174.1	-60.6	177.6	0	0	0	109.6	K463 S464	L461-K463 HydrophobicContact CB-CG 4.07Å; L461-K463 PolarHBondContact O-N 2.97Å; L461-K463 VanDerWaalsContact O-N 3.14Å; L461-S464 PolarHBondContact O-N 3.39Å; L461-S464 PolarHBondContact O-OG 3.3Å
462	Q	82.4	Confident	88.3	Confident	147 Å²	147	67.4 Å²	67.4	69%	0.687	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-56	-36.8	-179.3	-169.5	173.5	-0.6	0	0	112.2	S464 I465	Q462-S464 PolarHBondContact O-N 2.95Å; Q462-S464 VanDerWaalsContact O-N 3.12Å; Q462-I465 HydrophobicContact CG-CD1 4.47Å; Q462-I465 WeakPolarHBondContact O-CB 3.32Å; Q462-I465 PolarHBondContact O-N 3.3Å
463	K	84.2	Confident	88	Confident	189 Å²	189	73 Å²	73	82%	0.822	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-65.2	-6.9	174.5	70	170.2	-177.1	176.3	0	116.2	L461	L461-K463 HydrophobicContact CB-CG 4.07Å; L461-K463 PolarHBondContact O-N 2.97Å; L461-K463 VanDerWaalsContact O-N 3.14Å
464	S	84.5	Confident	87.7	Confident	64 Å²	64	68 Å²	68	45%	0.448	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-101.4	-1.3	171.3	60.6	0	0	0	0	113.3	L461 Q462	L461-S464 PolarHBondContact O-N 3.39Å; L461-S464 PolarHBondContact O-OG 3.3Å; Q462-S464 PolarHBondContact O-N 2.95Å; Q462-S464 VanDerWaalsContact O-N 3.12Å
465	I	87.4	Confident	87.5	Confident	20 Å²	20	74.4 Å²	74.4	10%	0.103	39%	0.387	C	S	.	.			trans	-81	122.8	167.9	-51.9	174.8	0	0	0	106.6	Q462 P472 L529 L532 H533 A536	Q462-I465 HydrophobicContact CG-CD1 4.47Å; Q462-I465 WeakPolarHBondContact O-CB 3.32Å; Q462-I465 PolarHBondContact O-N 3.3Å; I465-P472 HydrophobicContact CG1-CG 4.26Å; I465-L529 HydrophobicContact CD1-CD1 3.52Å; I465-L529 HydrophobicContact CG1-CD1 3.83Å; I465-L532 HydrophobicContact CD1-CB 3.7Å; I465-L532 HydrophobicContact CD1-CD1 4.09Å; I465-H533 HydrophobicContact CG2-CB 3.99Å; I465-A536 HydrophobicContact CG2-CB 4.42Å
466	S	85.4	Confident	87.4	Confident	40 Å²	40	82.1 Å²	82.1	28%	0.28	42%	0.423	S	S	.	.			trans	-124.9	132.3	178.8	177.5	0	0	0	0	108.5	W468 K469 H533	S466-W468 VanDerWaalsContact C-N 3.26Å; S466-W468 PolarHBondContact O-N 3.03Å; S466-K469 PolarHBondContact O-N 3.32Å; S466-H533 PolarHBondContact O-CE1 2.88Å; S466-H533 PolarHBondContact O-ND1 2.87Å
467	P	83.8	Confident	87.5	Confident	16 Å²	16	80.5 Å²	80.5	10%	0.104	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-41.1	-178.3	-29.4	38.5	0	0	0	113	K469 H533 A536 L537 E540	P467-K469 VanDerWaalsContact C-N 3.31Å; P467-K469 PolarHBondContact O-N 2.82Å; P467-H533 PolarHBondContact O-CE1 3.01Å; P467-H533 VanDerWaalsContact O-CE1 3.22Å; P467-A536 HydrophobicContact CG-CB 3.96Å; P467-A536 VanDerWaalsContact CG-O 3.3Å; P467-A536 WeakPolarHBondContact CG-O 3.2Å; P467-L537 HydrophobicContact CB-CD2 3.74Å; P467-L537 HydrophobicContact CB-CG 3.83Å; P467-L537 WeakPolarHBondContact O-CD2 3.45Å; P467-E540 HydrophobicContact CB-CG 3.77Å; P467-E540 HydrophobicContact CG-CG 3.52Å
468	W	83	Confident	87.6	Confident	95 Å²	95	82.2 Å²	82.2	36%	0.36	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	10	-172.7	-50	108.3	0	0	0	114.3	S466 E540 L542 W545	S466-W468 VanDerWaalsContact C-N 3.26Å; S466-W468 PolarHBondContact O-N 3.03Å; W468-E540 HydrophobicContact CZ2-CB 4.08Å; W468-E540 HydrophobicContact CZ2-CG 4.29Å; W468-E540 PolarHBondContact NE1-OE2 3.36Å; W468-L542 HydrophobicContact CH2-CD2 3.45Å; W468-L542 VanDerWaalsContact CH2-CD2 3.45Å; W468-L542 HydrophobicContact CZ2-CD2 3.94Å; W468-L542 HydrophobicContact CZ3-CD2 4.38Å; W468-W545 AromaticContact CE3-NE1 3.67Å; W468-W545 HydrophobicContact CH2-CB 3.95Å; W468-W545 AromaticContact CH2-CD1 3.29Å; W468-W545 AromaticContact CH2-CD2 3.95Å; W468-W545 HydrophobicContact CH2-CD2 3.95Å; W468-W545 AromaticContact CH2-CG 3.46Å; W468-W545 HydrophobicContact CH2-CG 3.46Å; W468-W545 VanDerWaalsContact CH2-CG 3.46Å; W468-W545 AromaticContact CH2-NE1 3.68Å; W468-W545 HydrophobicContact CZ2-CB 4.37Å; W468-W545 AromaticContact CZ2-CD1 3.56Å; W468-W545 HydrophobicContact CZ2-CG 4.05Å; W468-W545 AromaticContact CZ3-CD1 3.59Å; W468-W545 AromaticContact CZ3-CD2 3.92Å; W468-W545 HydrophobicContact CZ3-CD2 3.92Å; W468-W545 AromaticContact CZ3-CE2 3.63Å; W468-W545 AromaticContact CZ3-CG 3.9Å; W468-W545 HydrophobicContact CZ3-CG 3.9Å; W468-W545 HydrophobicContact CZ3-CZ2 4.26Å; W468-W545 AromaticContact CZ3-NE1 3.42Å
469	K	84.2	Confident	87.7	Confident	147 Å²	147	84.9 Å²	84.9	64%	0.639	43%	0.427	S	S	*	.	S	Bend	trans	-131.8	155.9	179	-61.1	-177.3	-179.1	178.3	0	110.1	S466 P467 H533	S466-K469 PolarHBondContact O-N 3.32Å; P467-K469 VanDerWaalsContact C-N 3.31Å; P467-K469 PolarHBondContact O-N 2.82Å; K469-H533 PolarHBondContact O-CE1 3.34Å
470	S	80.1	Confident	87.8	Confident	109 Å²	109	87.6 Å²	87.6	76%	0.762	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-56.7	145.8	172.4	-52.9	0	0	0	0	111.2
471	P	82.8	Confident	88	Confident	50 Å²	50	90.7 Å²	90.7	33%	0.325	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-50.5	135.5	174.8	-27.7	33.8	0	0	0	112.1	L529 H533	P471-L529 HydrophobicContact CB-CG 4.39Å; P471-H533 HydrophobicContact CG-CB 4.14Å
472	P	87.4	Confident	88.4	Confident	32 Å²	32	85.2 Å²	85.2	21%	0.208	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-62.6	143.1	179.8	23.4	-31.6	0	0	0	111.1	P460 I465 L529	P460-P472 HydrophobicContact CB-CB 3.94Å; P460-P472 HydrophobicContact CB-CG 3.62Å; P460-P472 HydrophobicContact CG-CB 3.89Å; P460-P472 HydrophobicContact CG-CG 3.81Å; I465-P472 HydrophobicContact CG1-CG 4.26Å; P472-L529 HydrophobicContact CG-CD1 4.34Å; P472-L529 HydrophobicContact CG-CD2 4.33Å; P472-L529 WeakPolarHBondContact O-CD2 3.42Å
473	Q	87.8	Confident	89	Confident	184 Å²	184	78.8 Å²	78.8	86%	0.86	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-71.7	141.3	-179.9	-64	-172.2	6	0	0	111.5
474	L	90.1	Very high	89.4	Confident	29 Å²	29	76.5 Å²	76.5	15%	0.152	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-61.1	141.9	171.5	-60.7	-176.1	0	0	0	110.5	M459 R522 M525 I526 L529	M459-L474 HydrophobicContact SD-CD2 3.81Å; L474-R522 HydrophobicContact CD1-CG 4.05Å; L474-M525 HydrophobicContact CD1-CB 3.64Å; L474-M525 HydrophobicContact CD1-CE 4.06Å; L474-M525 HydrophobicContact CD2-CB 4.32Å; L474-M525 HydrophobicContact CD2-CE 4.18Å; L474-I526 HydrophobicContact CD1-CG1 3.73Å; L474-I526 HydrophobicContact CG-CG1 4.36Å; L474-L529 HydrophobicContact CD2-CD2 3.97Å
475	R	91.2	Very high	89.9	Confident	145 Å²	145	75.3 Å²	75.3	55%	0.547	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-66	147.3	174.7	-63.8	-165.8	-78.8	165.7	-8.6	110.7	S457 L458	S457-R475 PolarHBondContact O-NH2 3.06Å; L458-R475 HydrophobicContact CB-CB 4.12Å; L458-R475 HydrophobicContact CD2-CB 3.89Å; L458-R475 PolarHBondContact O-N 3.43Å
476	Q	92.7	Very high	90.1	Very high	161 Å²	161	74.6 Å²	74.6	75%	0.752	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-71.7	144.1	177.4	-61.3	-175.7	10.9	0	0	110.5	L458 L478	L458-Q476 WeakPolarHBondContact CD2-O 3.39Å; Q476-L478 PolarHBondContact O-N 3.31Å
477	F	95.1	Very high	90	Very high	27 Å²	27	79.4 Å²	79.4	12%	0.118	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-75.5	121.5	173.1	-176.6	-75.5	0	0	0	109.4	L451 Y454 V455 L458 P479 F482 L509 F514 F518	L451-F477 HydrophobicContact CD2-CE2 4.45Å; L451-F477 HydrophobicContact CD2-CZ 4.3Å; Y454-F477 AromaticContact CD1-CD2 3.74Å; Y454-F477 HydrophobicContact CD1-CD2 3.74Å; Y454-F477 AromaticContact CD1-CE2 3.51Å; Y454-F477 HydrophobicContact CD1-CE2 3.51Å; Y454-F477 HydrophobicContact CD1-CZ 4.11Å; Y454-F477 HydrophobicContact CE1-CD1 4.37Å; Y454-F477 AromaticContact CE1-CD2 3.57Å; Y454-F477 HydrophobicContact CE1-CD2 3.57Å; Y454-F477 HydrophobicContact CE1-CE1 4.47Å; Y454-F477 AromaticContact CE1-CE2 3.71Å; Y454-F477 HydrophobicContact CE1-CE2 3.71Å; Y454-F477 AromaticContact CE1-CG 3.92Å; Y454-F477 HydrophobicContact CE1-CG 3.92Å; Y454-F477 HydrophobicContact CE1-CZ 4.15Å; V455-F477 HydrophobicContact CG2-CD2 3.8Å; V455-F477 HydrophobicContact CG2-CE2 3.86Å; L458-F477 HydrophobicContact CD1-CB 3.96Å; L458-F477 HydrophobicContact CD1-CD2 4.19Å; F477-P479 HydrophobicContact CD1-CG 4.28Å; F477-P479 HydrophobicContact CE1-CG 4.22Å; F477-F482 HydrophobicContact CE1-CB 4.4Å; F477-F482 HydrophobicContact CZ-CB 4.09Å; F477-F482 HydrophobicContact CZ-CD1 4.18Å; F477-F482 HydrophobicContact CZ-CG 4.03Å; F477-L509 HydrophobicContact CE1-CD1 4.11Å; F477-L509 HydrophobicContact CE1-CD2 3.87Å; F477-L509 HydrophobicContact CZ-CD1 4.45Å; F477-L509 HydrophobicContact CZ-CD2 3.7Å; F477-F514 HydrophobicContact CD1-CZ 4.21Å; F477-F514 HydrophobicContact CD2-CZ 4.4Å; F477-F514 AromaticContact CE1-CZ 3.96Å; F477-F514 HydrophobicContact CE1-CZ 3.96Å; F477-F514 HydrophobicContact CE2-CE2 4.15Å; F477-F514 HydrophobicContact CE2-CZ 4.14Å; F477-F514 HydrophobicContact CG-CZ 4.45Å; F477-F514 HydrophobicContact CZ-CE2 4.05Å; F477-F514 AromaticContact CZ-CZ 3.93Å; F477-F514 HydrophobicContact CZ-CZ 3.93Å; F477-F518 HydrophobicContact CB-CE1 4.28Å; F477-F518 HydrophobicContact CB-CE2 3.91Å; F477-F518 HydrophobicContact CB-CZ 3.61Å; F477-F518 HydrophobicContact CD2-CD2 4.27Å; F477-F518 AromaticContact CD2-CE2 3.89Å; F477-F518 HydrophobicContact CD2-CE2 3.89Å; F477-F518 HydrophobicContact CD2-CZ 4.46Å; F477-F518 HydrophobicContact CG-CE2 4.25Å; F477-F518 HydrophobicContact CG-CZ 4.37Å
478	L	95.6	Very high	90.1	Very high	88 Å²	88	86.9 Å²	86.9	46%	0.461	42%	0.419	S	S	.	.			trans	-110.8	107	-179.8	-63.4	-178.9	0	0	0	110.4	Y454 Q476 E480 E481 F482	Y454-L478 PolarHBondContact OH-N 2.94Å; Y454-L478 PolarHBondContact OH-O 3.15Å; Q476-L478 PolarHBondContact O-N 3.31Å; L478-E480 VanDerWaalsContact C-N 3.35Å; L478-E480 PolarHBondContact O-N 3.28Å; L478-E481 HydrophobicContact CB-CB 3.87Å; L478-E481 WeakPolarHBondContact O-CB 3.34Å; L478-E481 PolarHBondContact O-N 3.06Å; L478-F482 PolarHBondContact O-N 3.23Å
479	P	94.5	Very high	90.3	Very high	59 Å²	59	84.1 Å²	84.1	38%	0.383	41%	0.413	S	S	.	.	H	α-helix	trans	-53.1	-45	-176.1	-31	37.2	0	0	0	114.4	F477 E481 F482 M483 L509	F477-P479 HydrophobicContact CD1-CG 4.28Å; F477-P479 HydrophobicContact CE1-CG 4.22Å; P479-E481 VanDerWaalsContact C-N 3.3Å; P479-E481 PolarHBondContact O-N 2.92Å; P479-F482 WeakPolarHBondContact O-CB 3.48Å; P479-F482 PolarHBondContact O-N 3.47Å; P479-M483 VanDerWaalsContact O-CG 3.27Å; P479-M483 WeakPolarHBondContact O-CG 3.41Å; P479-M483 PolarHBondContact O-N 3.01Å; P479-L509 HydrophobicContact CB-CD1 3.91Å; P479-L509 HydrophobicContact CG-CD1 4.43Å
480	E	94.4	Very high	90.5	Very high	99 Å²	99	77.2 Å²	77.2	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-78.1	-10.9	-178.7	-53.3	-54.4	149.1	0	0	113.9	L478 K484 R506	L478-E480 VanDerWaalsContact C-N 3.35Å; L478-E480 PolarHBondContact O-N 3.28Å; E480-K484 WeakPolarHBondContact O-CD 3.14Å; E480-K484 WeakPolarHBondContact O-CE 3.4Å; E480-K484 WeakPolarHBondContact O-CG 3.45Å; E480-R506 IonicContact OE1-CZ 3.42Å; E480-R506 IonicContact OE1-NH1 3.7Å; E480-R506 PolarHBondContact OE1-NH1 2.95Å; E480-R506 IonicContact OE1-NH2 2.7Å; E480-R506 PolarHBondContact OE1-NH2 3.44Å; E480-R506 IonicContact OE2-CZ 3.98Å; E480-R506 IonicContact OE2-NH1 3.41Å; E480-R506 IonicContact OE2-NH2 3.2Å; E480-R506 PolarHBondContact OE2-NH2 3.32Å
481	E	94.4	Very high	91	Very high	88 Å²	88	72.1 Å²	72.1	41%	0.411	35%	0.347	S	S	.	.	H	α-helix	trans	-80.6	-48.9	164.9	-172.8	-173.1	-156.7	0	0	109.4	Y454 L478 P479 M483 K484 T485	Y454-E481 HydrophobicContact CE2-CB 4.35Å; Y454-E481 HydrophobicContact CE2-CG 3.99Å; Y454-E481 WeakPolarHBondContact CE2-OE2 3.49Å; Y454-E481 PolarHBondContact OH-OE2 3.01Å; L478-E481 HydrophobicContact CB-CB 3.87Å; L478-E481 WeakPolarHBondContact O-CB 3.34Å; L478-E481 PolarHBondContact O-N 3.06Å; P479-E481 VanDerWaalsContact C-N 3.3Å; P479-E481 PolarHBondContact O-N 2.92Å; E481-M483 VanDerWaalsContact C-N 3.31Å; E481-M483 PolarHBondContact O-N 3.41Å; E481-K484 WeakPolarHBondContact O-CB 3.2Å; E481-K484 PolarHBondContact O-N 2.71Å; E481-T485 PolarHBondContact O-N 2.89Å
482	F	95.6	Very high	91.2	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-52.7	-46.7	175.4	170.7	-112.1	0	0	0	111.9	P450 L451 Y454 F477 L478 P479 K484 T485 L486 Y505 L509	P450-F482 HydrophobicContact CB-CE2 4.33Å; L451-F482 HydrophobicContact CD2-CD1 4.42Å; L451-F482 HydrophobicContact CD2-CE1 3.72Å; L451-F482 HydrophobicContact CD2-CE2 3.86Å; L451-F482 HydrophobicContact CD2-CZ 3.39Å; L451-F482 HydrophobicContact CG-CE1 4.42Å; L451-F482 HydrophobicContact CG-CE2 4.18Å; L451-F482 HydrophobicContact CG-CZ 3.7Å; Y454-F482 HydrophobicContact CD1-CB 3.84Å; Y454-F482 AromaticContact CD1-CD2 3.91Å; Y454-F482 HydrophobicContact CD1-CD2 3.91Å; Y454-F482 HydrophobicContact CD1-CG 4.2Å; Y454-F482 HydrophobicContact CE1-CB 3.88Å; Y454-F482 HydrophobicContact CG-CB 4.17Å; Y454-F482 AromaticContact CG-CD2 3.81Å; Y454-F482 HydrophobicContact CG-CD2 3.81Å; Y454-F482 HydrophobicContact CG-CG 4.44Å; F477-F482 HydrophobicContact CE1-CB 4.4Å; F477-F482 HydrophobicContact CZ-CB 4.09Å; F477-F482 HydrophobicContact CZ-CD1 4.18Å; F477-F482 HydrophobicContact CZ-CG 4.03Å; L478-F482 PolarHBondContact O-N 3.23Å; P479-F482 WeakPolarHBondContact O-CB 3.48Å; P479-F482 PolarHBondContact O-N 3.47Å; F482-K484 VanDerWaalsContact C-N 3.28Å; F482-K484 PolarHBondContact O-N 3.12Å; F482-T485 WeakPolarHBondContact O-CA 3.33Å; F482-T485 WeakPolarHBondContact O-CB 3.06Å; F482-T485 PolarHBondContact O-N 2.86Å; F482-T485 PolarHBondContact O-OG1 2.99Å; F482-L486 HydrophobicContact CE1-CD1 4.1Å; F482-L486 HydrophobicContact CE1-CD2 4.33Å; F482-L486 HydrophobicContact CE1-CG 4.39Å; F482-L486 HydrophobicContact CE2-CD2 3.99Å; F482-L486 HydrophobicContact CZ-CD1 4.31Å; F482-L486 HydrophobicContact CZ-CD2 3.7Å; F482-L486 HydrophobicContact CZ-CG 4.21Å; F482-L486 PolarHBondContact O-N 3.23Å; F482-Y505 AromaticContact CE1-CD1 3.79Å; F482-Y505 HydrophobicContact CE1-CD1 3.79Å; F482-Y505 HydrophobicContact CE1-CE1 4.27Å; F482-Y505 AromaticContact CE1-CG 3.93Å; F482-Y505 HydrophobicContact CE1-CG 3.93Å; F482-Y505 AromaticContact CZ-CD1 3.85Å; F482-Y505 HydrophobicContact CZ-CD1 3.85Å; F482-Y505 AromaticContact CZ-CE1 3.85Å; F482-Y505 HydrophobicContact CZ-CE1 3.85Å; F482-Y505 HydrophobicContact CZ-CG 4.23Å; F482-L509 HydrophobicContact CD1-CD1 4.16Å
483	M	94.9	Very high	91.3	Very high	12 Å²	12	78.1 Å²	78.1	6%	0.059	37%	0.371	C	S	.	.	H	α-helix	trans	-56.4	-38.9	178	-67.2	-63.4	164.1	0	0	112.9	P479 E481 T485 L486 I502 R506 L509	P479-M483 VanDerWaalsContact O-CG 3.27Å; P479-M483 WeakPolarHBondContact O-CG 3.41Å; P479-M483 PolarHBondContact O-N 3.01Å; E481-M483 VanDerWaalsContact C-N 3.31Å; E481-M483 PolarHBondContact O-N 3.41Å; M483-T485 VanDerWaalsContact C-N 3.27Å; M483-T485 PolarHBondContact O-N 3.42Å; M483-L486 WeakPolarHBondContact O-CB 3.36Å; M483-L486 PolarHBondContact O-N 3.11Å; M483-L486 VanDerWaalsContact O-N 3.15Å; M483-L486 HydrophobicContact SD-CD1 3.81Å; M483-I502 HydrophobicContact SD-CG2 3.96Å; M483-R506 HydrophobicContact CE-CB 3.88Å; M483-L509 HydrophobicContact CE-CD1 3.66Å
484	K	93.5	Very high	91.4	Very high	142 Å²	142	73 Å²	73	62%	0.617	35%	0.353	S	S	*	.	H	α-helix	trans	-68.1	-25.3	176.6	-65	168.5	-173.4	175.9	0	112.7	E480 E481 F482 L486	E480-K484 WeakPolarHBondContact O-CD 3.14Å; E480-K484 WeakPolarHBondContact O-CE 3.4Å; E480-K484 WeakPolarHBondContact O-CG 3.45Å; E481-K484 WeakPolarHBondContact O-CB 3.2Å; E481-K484 PolarHBondContact O-N 2.71Å; F482-K484 VanDerWaalsContact C-N 3.28Å; F482-K484 PolarHBondContact O-N 3.12Å; K484-L486 VanDerWaalsContact C-N 3.31Å
485	T	93.1	Very high	91.4	Very high	39 Å²	39	72.6 Å²	72.6	24%	0.239	35%	0.352	C	S	.	.	H	α-helix	trans	-72.1	-25.4	173.5	74.1	0	0	0	0	112.6	Y454 E481 F482 M483 E487 K488 T489	Y454-T485 HydrophobicContact CD2-CG2 4.2Å; E481-T485 PolarHBondContact O-N 2.89Å; F482-T485 WeakPolarHBondContact O-CA 3.33Å; F482-T485 WeakPolarHBondContact O-CB 3.06Å; F482-T485 PolarHBondContact O-N 2.86Å; F482-T485 PolarHBondContact O-OG1 2.99Å; M483-T485 VanDerWaalsContact C-N 3.27Å; M483-T485 PolarHBondContact O-N 3.42Å; T485-E487 PolarHBondContact O-N 3.5Å; T485-K488 PolarHBondContact O-N 2.93Å; T485-T489 WeakPolarHBondContact O-CA 3.36Å; T485-T489 PolarHBondContact O-N 3.14Å; T485-T489 PolarHBondContact O-OG1 3.03Å
486	L	91.8	Very high	91.3	Very high	5 Å²	5	75 Å²	75	3%	0.026	36%	0.361	C	S	.	.	H	α-helix	trans	-67.9	-32.1	-177.7	-63.3	176.6	0	0	0	113.1	P450 F482 M483 K484 K488 G490 Q492 I502 Y505	P450-L486 HydrophobicContact CB-CD2 3.8Å; P450-L486 HydrophobicContact CG-CD2 4.45Å; F482-L486 HydrophobicContact CE1-CD1 4.1Å; F482-L486 HydrophobicContact CE1-CD2 4.33Å; F482-L486 HydrophobicContact CE1-CG 4.39Å; F482-L486 HydrophobicContact CE2-CD2 3.99Å; F482-L486 HydrophobicContact CZ-CD1 4.31Å; F482-L486 HydrophobicContact CZ-CD2 3.7Å; F482-L486 HydrophobicContact CZ-CG 4.21Å; F482-L486 PolarHBondContact O-N 3.23Å; M483-L486 WeakPolarHBondContact O-CB 3.36Å; M483-L486 PolarHBondContact O-N 3.11Å; M483-L486 VanDerWaalsContact O-N 3.15Å; M483-L486 HydrophobicContact SD-CD1 3.81Å; K484-L486 VanDerWaalsContact C-N 3.31Å; L486-K488 PolarHBondContact O-N 3.29Å; L486-G490 VanDerWaalsContact O-CA 3.31Å; L486-G490 WeakPolarHBondContact O-CA 3.5Å; L486-G490 PolarHBondContact O-N 2.87Å; L486-Q492 PolarHBondContact O-NE2 2.73Å; L486-I502 HydrophobicContact CD1-CG1 4.38Å; L486-Y505 HydrophobicContact CD1-CD2 3.34Å; L486-Y505 HydrophobicContact CD1-CE2 3.82Å; L486-Y505 HydrophobicContact CD1-CG 4.02Å; L486-Y505 HydrophobicContact CD2-CD2 3.96Å; L486-Y505 HydrophobicContact CD2-CE2 3.52Å; L486-Y505 HydrophobicContact CG-CD2 4.31Å; L486-Y505 HydrophobicContact CG-CE2 4.32Å
487	E	85	Confident	91.2	Very high	141 Å²	141	68 Å²	68	66%	0.659	33%	0.329	S	S	*	.	H	α-helix	trans	-56.3	-40	175.2	-64	175.9	-176.3	0	0	111.7	T485 Q492	T485-E487 PolarHBondContact O-N 3.5Å; E487-Q492 PolarHBondContact O-NE2 3.49Å
488	K	86.1	Confident	91.1	Very high	172 Å²	172	74.6 Å²	74.6	75%	0.748	36%	0.357	S	S	*	.	H	α-helix	trans	-99.1	-26.1	-175.4	-59.9	-177.7	-177.2	-179.9	0	113.9	T485 L486	T485-K488 PolarHBondContact O-N 2.93Å; L486-K488 PolarHBondContact O-N 3.29Å
489	T	86.8	Confident	91	Very high	38 Å²	38	72.2 Å²	72.2	23%	0.233	35%	0.354	C	S	.	.	H	α-helix	trans	-140.9	21.2	-169	58.9	0	0	0	0	114.8	T485	T485-T489 WeakPolarHBondContact O-CA 3.36Å; T485-T489 PolarHBondContact O-N 3.14Å; T485-T489 PolarHBondContact O-OG1 3.03Å
490	G	88.6	Confident	91.1	Very high	2 Å²	2	73.2 Å²	73.2	2%	0.021	36%	0.356	C	S	.	.	S	Bend	trans	-77.7	-178.8	179.7	0	0	0	0	0	115.6	L486 Q492 L493	L486-G490 VanDerWaalsContact O-CA 3.31Å; L486-G490 WeakPolarHBondContact O-CA 3.5Å; L486-G490 PolarHBondContact O-N 2.87Å; G490-Q492 VanDerWaalsContact CA-OE1 3.26Å; G490-Q492 PolarHBondContact O-N 3.39Å; G490-Q492 PolarHBondContact O-OE1 2.79Å; G490-L493 PolarHBondContact O-N 2.82Å
491	P	89.9	Confident	91.1	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.006	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-60.7	-18.9	-174	-26.8	38.2	0	0	0	115.4	S446 P450 L493 T494 S495 W501 Y505	S446-P491 WeakPolarHBondContact O-CB 3.13Å; S446-P491 WeakPolarHBondContact O-CG 3.33Å; P450-P491 HydrophobicContact CG-CG 4.12Å; P491-L493 PolarHBondContact O-N 2.83Å; P491-T494 PolarHBondContact O-N 3.15Å; P491-T494 PolarHBondContact O-OG1 3.12Å; P491-S495 PolarHBondContact O-N 3.3Å; P491-W501 HydrophobicContact CB-CD2 3.74Å; P491-W501 HydrophobicContact CB-CE3 3.72Å; P491-W501 HydrophobicContact CB-CG 4.44Å; P491-W501 HydrophobicContact CB-CH2 3.84Å; P491-W501 HydrophobicContact CB-CZ2 3.88Å; P491-W501 HydrophobicContact CB-CZ3 3.76Å; P491-W501 HydrophobicContact CG-CD2 3.89Å; P491-W501 HydrophobicContact CG-CE3 3.58Å; P491-W501 HydrophobicContact CG-CG 4.43Å; P491-W501 HydrophobicContact CG-CH2 4.48Å; P491-W501 HydrophobicContact CG-CZ3 3.9Å; P491-Y505 HydrophobicContact CG-CE2 3.73Å; P491-Y505 WeakPolarHBondContact CG-OH 3.35Å
492	Q	87.1	Confident	91.1	Very high	92 Å²	92	68.7 Å²	68.7	43%	0.43	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-60.5	-11.8	176	69	-81.8	8.6	0	0	114.1	L486 E487 G490	L486-Q492 PolarHBondContact O-NE2 2.73Å; E487-Q492 PolarHBondContact O-NE2 3.49Å; G490-Q492 VanDerWaalsContact CA-OE1 3.26Å; G490-Q492 PolarHBondContact O-N 3.39Å; G490-Q492 PolarHBondContact O-OE1 2.79Å
493	L	88.4	Confident	91.1	Very high	116 Å²	116	69.3 Å²	69.3	61%	0.607	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-85.6	-17.4	173.6	-59.7	-178.4	0	0	0	113.8	G490 P491	G490-L493 PolarHBondContact O-N 2.82Å; P491-L493 PolarHBondContact O-N 2.83Å
494	T	89.8	Confident	91.3	Very high	77 Å²	77	68.7 Å²	68.7	47%	0.472	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-26.9	-175.2	59.4	0	0	0	0	113.8	S446 I449 P491	S446-T494 WeakPolarHBondContact CA-OG1 3.42Å; S446-T494 WeakPolarHBondContact CB-OG1 3.24Å; S446-T494 PolarHBondContact OG-OG1 2.75Å; I449-T494 HydrophobicContact CD1-CG2 4.35Å; P491-T494 PolarHBondContact O-N 3.15Å; P491-T494 PolarHBondContact O-OG1 3.12Å
495	S	90.2	Very high	91.4	Very high	20 Å²	20	62 Å²	62	14%	0.14	31%	0.31	C	S	.	.			trans	-102.5	139.7	175.7	-173.7	0	0	0	0	111.9	P491 I497	P491-S495 PolarHBondContact O-N 3.3Å; S495-I497 VanDerWaalsContact C-N 3.28Å; S495-I497 PolarHBondContact OG-N 3Å; S495-I497 VanDerWaalsContact OG-N 3.15Å
496	R	89.4	Confident	91.6	Very high	197 Å²	197	65 Å²	65	74%	0.743	32%	0.317	S	S	*	.			trans	-77.1	-13.5	169.9	-63.1	179.7	179.8	175.3	1.4	112.9	E414 K498	E414-R496 IonicContact OE1-NH1 3.45Å; E414-R496 IonicContact OE2-NH1 3.52Å; E414-R496 PolarHBondContact OE2-NH1 2.97Å; R496-K498 PolarHBondContact O-N 3.27Å
497	I	92	Very high	91.9	Very high	14 Å²	14	67.5 Å²	67.5	7%	0.072	33%	0.328	C	S	.	.			trans	-75.8	125.7	-173.4	-54.7	-170.3	0	0	0	110.5	L409 N410 D412 Y439 L443 S495 W501	L409-I497 HydrophobicContact CB-CG2 3.87Å; L409-I497 HydrophobicContact CD1-CG2 4.41Å; N410-I497 VanDerWaalsContact O-CG2 3.28Å; N410-I497 WeakPolarHBondContact O-CG2 3.29Å; D412-I497 HydrophobicContact CB-CD1 4.08Å; D412-I497 HydrophobicContact CB-CG1 4.48Å; Y439-I497 HydrophobicContact CE2-CD1 4.08Å; Y439-I497 WeakPolarHBondContact OH-CD1 3.49Å; L443-I497 HydrophobicContact CD1-CD1 3.85Å; L443-I497 HydrophobicContact CD2-CD1 4.25Å; S495-I497 VanDerWaalsContact C-N 3.28Å; S495-I497 PolarHBondContact OG-N 3Å; S495-I497 VanDerWaalsContact OG-N 3.15Å; I497-W501 HydrophobicContact CB-CZ2 4.33Å; I497-W501 PolarHBondContact O-NE1 3.45Å
498	K	92.6	Very high	92.5	Very high	164 Å²	164	60.9 Å²	60.9	71%	0.713	30%	0.297	S	S	*	.			trans	-94.2	145.7	178.2	-60.6	-177.9	-179	-177.9	0	110.6	N410 R496	N410-K498 VanDerWaalsContact CB-O 3.26Å; N410-K498 WeakPolarHBondContact CB-O 3.32Å; N410-K498 PolarHBondContact N-O 3.03Å; N410-K498 PolarHBondContact ND2-O 2.85Å; R496-K498 PolarHBondContact O-N 3.27Å
499	G	93.9	Very high	93.1	Very high	38 Å²	38	54 Å²	54	39%	0.392	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	157.7	-168.6	173.7	0	0	0	0	0	112.1	Y408 W501	Y408-G499 CarbonylContact O-C 3.52Å; Y408-G499 WeakPolarHBondContact O-CA 3.33Å; G499-W501 VanDerWaalsContact C-N 3.29Å; G499-W501 PolarHBondContact O-N 3.06Å
500	D	94.9	Very high	93.5	Very high	81 Å²	81	60 Å²	60	43%	0.433	29%	0.292	S	S	.	.			trans	-82.3	71.3	-179.9	-177.4	18.6	0	0	0	111.9	Y408 I502 G503 L504	Y408-D500 WeakPolarHBondContact CB-O 3.44Å; Y408-D500 HydrophobicContact CD1-CB 4.17Å; Y408-D500 PolarHBondContact O-N 2.8Å; D500-I502 PolarHBondContact O-N 3.05Å; D500-I502 PolarHBondContact OD1-N 2.93Å; D500-G503 VanDerWaalsContact CG-N 3.33Å; D500-G503 PolarHBondContact O-N 3.44Å; D500-G503 PolarHBondContact OD1-N 2.82Å; D500-G503 WeakPolarHBondContact OD2-CA 3.47Å; D500-G503 PolarHBondContact OD2-N 3.29Å; D500-L504 PolarHBondContact O-N 3.15Å
501	W	95.2	Very high	93.9	Very high	18 Å²	18	60.3 Å²	60.3	7%	0.068	29%	0.293	C	S	.	.	H	α-helix	trans	-55.6	-34.2	173.5	-72	102	0	0	0	112.5	W286 L409 L443 F447 P491 I497 G499 L504 Y505	W286-W501 HydrophobicContact CH2-CZ3 4.49Å; L409-W501 HydrophobicContact CD1-CD2 4.24Å; L409-W501 HydrophobicContact CD1-CE3 4Å; L409-W501 HydrophobicContact CD1-CH2 3.52Å; L409-W501 HydrophobicContact CD1-CZ2 3.75Å; L409-W501 HydrophobicContact CD1-CZ3 3.64Å; L409-W501 HydrophobicContact CD2-CD2 3.53Å; L409-W501 HydrophobicContact CD2-CE3 3.96Å; L409-W501 HydrophobicContact CD2-CG 3.81Å; L409-W501 HydrophobicContact CD2-CZ2 4.12Å; L409-W501 HydrophobicContact CD2-CZ3 4.44Å; L443-W501 HydrophobicContact CD1-CH2 3.83Å; F447-W501 HydrophobicContact CB-CZ3 4.31Å; F447-W501 HydrophobicContact CD2-CE3 4.29Å; F447-W501 HydrophobicContact CD2-CZ3 4.05Å; P491-W501 HydrophobicContact CB-CD2 3.74Å; P491-W501 HydrophobicContact CB-CE3 3.72Å; P491-W501 HydrophobicContact CB-CG 4.44Å; P491-W501 HydrophobicContact CB-CH2 3.84Å; P491-W501 HydrophobicContact CB-CZ2 3.88Å; P491-W501 HydrophobicContact CB-CZ3 3.76Å; P491-W501 HydrophobicContact CG-CD2 3.89Å; P491-W501 HydrophobicContact CG-CE3 3.58Å; P491-W501 HydrophobicContact CG-CG 4.43Å; P491-W501 HydrophobicContact CG-CH2 4.48Å; P491-W501 HydrophobicContact CG-CZ3 3.9Å; I497-W501 HydrophobicContact CB-CZ2 4.33Å; I497-W501 PolarHBondContact O-NE1 3.45Å; G499-W501 VanDerWaalsContact C-N 3.29Å; G499-W501 PolarHBondContact O-N 3.06Å; W501-L504 HydrophobicContact CE3-CD2 4.2Å; W501-L504 HydrophobicContact CZ3-CD2 4.34Å; W501-L504 PolarHBondContact O-N 2.82Å; W501-Y505 WeakPolarHBondContact O-CD2 3.39Å; W501-Y505 PolarHBondContact O-N 3.28Å
502	I	95	Very high	94.1	Very high	74 Å²	74	62.4 Å²	62.4	38%	0.379	31%	0.307	S	S	.	.	H	α-helix	trans	-69.1	-44.5	-178.4	-64.3	172.5	0	0	0	110.4	M483 L486 D500 Y505 R506	M483-I502 HydrophobicContact SD-CG2 3.96Å; L486-I502 HydrophobicContact CD1-CG1 4.38Å; D500-I502 PolarHBondContact O-N 3.05Å; D500-I502 PolarHBondContact OD1-N 2.93Å; I502-Y505 PolarHBondContact O-N 3.06Å; I502-R506 VanDerWaalsContact O-CB 3.26Å; I502-R506 WeakPolarHBondContact O-CB 3.18Å; I502-R506 PolarHBondContact O-N 3.1Å
503	G	95.9	Very high	94.6	Very high	12 Å²	12	58 Å²	58	12%	0.124	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-42.9	172	0	0	0	0	0	112.7	D500 R506 H507	D500-G503 VanDerWaalsContact CG-N 3.33Å; D500-G503 PolarHBondContact O-N 3.44Å; D500-G503 PolarHBondContact OD1-N 2.82Å; D500-G503 WeakPolarHBondContact OD2-CA 3.47Å; D500-G503 PolarHBondContact OD2-N 3.29Å; G503-R506 PolarHBondContact O-N 3.02Å; G503-H507 PolarHBondContact O-N 2.92Å
504	L	97.3	Very high	95	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-48.4	176.2	-176.2	65.4	0	0	0	111.4	W286 E287 L290 L291 Y408 L409 F447 D500 W501 H507 F508	W286-L504 HydrophobicContact CH2-CD2 4.12Å; W286-L504 HydrophobicContact CZ3-CD2 3.89Å; E287-L504 HydrophobicContact CB-CD1 4.47Å; E287-L504 HydrophobicContact CG-CD1 3.98Å; L290-L504 HydrophobicContact CD2-CD1 4.41Å; L290-L504 HydrophobicContact CD2-CD2 4.24Å; L290-L504 HydrophobicContact CD2-CG 4.47Å; L291-L504 HydrophobicContact CD1-CD1 4.23Å; L291-L504 HydrophobicContact CD2-CD1 4.22Å; L291-L504 HydrophobicContact CG-CD1 4.31Å; Y408-L504 HydrophobicContact CD2-CB 4.13Å; Y408-L504 HydrophobicContact CD2-CD1 3.76Å; Y408-L504 HydrophobicContact CE2-CD1 4.42Å; Y408-L504 HydrophobicContact CG-CB 3.95Å; Y408-L504 HydrophobicContact CG-CD1 4.37Å; L409-L504 HydrophobicContact CD1-CD2 3.95Å; L409-L504 HydrophobicContact CG-CD2 4.14Å; F447-L504 HydrophobicContact CD2-CD2 4.07Å; F447-L504 HydrophobicContact CE2-CD2 3.96Å; F447-L504 HydrophobicContact CE2-CG 4.05Å; D500-L504 PolarHBondContact O-N 3.15Å; W501-L504 HydrophobicContact CE3-CD2 4.2Å; W501-L504 HydrophobicContact CZ3-CD2 4.34Å; W501-L504 PolarHBondContact O-N 2.82Å; L504-H507 PolarHBondContact O-N 2.82Å; L504-F508 WeakPolarHBondContact O-CB 3.14Å; L504-F508 PolarHBondContact O-N 3.46Å
505	Y	97.6	Very high	95.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-43.5	173.8	-77.2	-66.3	0	0	0	112.3	F447 P450 L451 F482 L486 P491 W501 I502 H507 F508 L509	F447-Y505 HydrophobicContact CD1-CE1 4.46Å; F447-Y505 HydrophobicContact CD2-CD1 4.23Å; F447-Y505 AromaticContact CD2-CE1 3.66Å; F447-Y505 HydrophobicContact CD2-CE1 3.66Å; F447-Y505 HydrophobicContact CD2-CE2 4.44Å; F447-Y505 AromaticContact CD2-CZ 3.8Å; F447-Y505 HydrophobicContact CE1-CD1 4.44Å; F447-Y505 HydrophobicContact CE1-CE1 4.12Å; F447-Y505 AromaticContact CE2-CD1 3.39Å; F447-Y505 HydrophobicContact CE2-CD1 3.39Å; F447-Y505 HydrophobicContact CE2-CD2 4.41Å; F447-Y505 AromaticContact CE2-CE1 3.26Å; F447-Y505 HydrophobicContact CE2-CE1 3.26Å; F447-Y505 HydrophobicContact CE2-CE2 4.33Å; F447-Y505 AromaticContact CE2-CG 3.99Å; F447-Y505 HydrophobicContact CE2-CG 3.99Å; F447-Y505 AromaticContact CE2-CZ 3.8Å; F447-Y505 HydrophobicContact CG-CE1 4.25Å; F447-Y505 AromaticContact CZ-CD1 3.51Å; F447-Y505 HydrophobicContact CZ-CD1 3.51Å; F447-Y505 AromaticContact CZ-CE1 3.52Å; F447-Y505 HydrophobicContact CZ-CE1 3.52Å; F447-Y505 HydrophobicContact CZ-CG 4.43Å; F447-Y505 PolarHBondContact O-OH 2.91Å; P450-Y505 WeakPolarHBondContact CG-OH 3.47Å; L451-Y505 HydrophobicContact CD1-CD1 4.19Å; L451-Y505 HydrophobicContact CD1-CE1 3.73Å; L451-Y505 HydrophobicContact CD2-CD1 4.47Å; L451-Y505 HydrophobicContact CD2-CE1 4.42Å; L451-Y505 HydrophobicContact CG-CD1 4.26Å; L451-Y505 HydrophobicContact CG-CE1 3.76Å; F482-Y505 AromaticContact CE1-CD1 3.79Å; F482-Y505 HydrophobicContact CE1-CD1 3.79Å; F482-Y505 HydrophobicContact CE1-CE1 4.27Å; F482-Y505 AromaticContact CE1-CG 3.93Å; F482-Y505 HydrophobicContact CE1-CG 3.93Å; F482-Y505 AromaticContact CZ-CD1 3.85Å; F482-Y505 HydrophobicContact CZ-CD1 3.85Å; F482-Y505 AromaticContact CZ-CE1 3.85Å; F482-Y505 HydrophobicContact CZ-CE1 3.85Å; F482-Y505 HydrophobicContact CZ-CG 4.23Å; L486-Y505 HydrophobicContact CD1-CD2 3.34Å; L486-Y505 HydrophobicContact CD1-CE2 3.82Å; L486-Y505 HydrophobicContact CD1-CG 4.02Å; L486-Y505 HydrophobicContact CD2-CD2 3.96Å; L486-Y505 HydrophobicContact CD2-CE2 3.52Å; L486-Y505 HydrophobicContact CG-CD2 4.31Å; L486-Y505 HydrophobicContact CG-CE2 4.32Å; P491-Y505 HydrophobicContact CG-CE2 3.73Å; P491-Y505 WeakPolarHBondContact CG-OH 3.35Å; W501-Y505 WeakPolarHBondContact O-CD2 3.39Å; W501-Y505 PolarHBondContact O-N 3.28Å; I502-Y505 PolarHBondContact O-N 3.06Å; Y505-H507 PolarHBondContact O-N 3.33Å; Y505-F508 PolarHBondContact O-N 2.82Å; Y505-F508 VanDerWaalsContact O-N 3.1Å; Y505-L509 WeakPolarHBondContact O-CG 3.47Å; Y505-L509 PolarHBondContact O-N 2.99Å
506	R	97.1	Very high	95.5	Very high	104 Å²	104	52.8 Å²	52.8	39%	0.392	26%	0.255	S	S	.	.	H	α-helix	trans	-63.6	-23.3	-178.7	-173.8	173.7	-69.9	-78.6	1.7	112.6	E480 M483 I502 G503 K510	E480-R506 IonicContact OE1-CZ 3.42Å; E480-R506 IonicContact OE1-NH1 3.7Å; E480-R506 PolarHBondContact OE1-NH1 2.95Å; E480-R506 IonicContact OE1-NH2 2.7Å; E480-R506 PolarHBondContact OE1-NH2 3.44Å; E480-R506 IonicContact OE2-CZ 3.98Å; E480-R506 IonicContact OE2-NH1 3.41Å; E480-R506 IonicContact OE2-NH2 3.2Å; E480-R506 PolarHBondContact OE2-NH2 3.32Å; M483-R506 HydrophobicContact CE-CB 3.88Å; I502-R506 VanDerWaalsContact O-CB 3.26Å; I502-R506 WeakPolarHBondContact O-CB 3.18Å; I502-R506 PolarHBondContact O-N 3.1Å; G503-R506 PolarHBondContact O-N 3.02Å; R506-K510 WeakPolarHBondContact O-CE 3.4Å
507	H	97.3	Very high	95.8	Very high	57 Å²	57	44.7 Å²	44.7	26%	0.264	23%	0.225	S	C	.	.	H	α-helix	trans	-84.4	-48.1	167.2	-160.9	177.3	0	0	0	111.8	L291 E293 Y408 G503 L504 Y505 L509 K510	L291-H507 HydrophobicContact CD2-CB 3.74Å; E293-H507 IonicContact OE1-CE1 3.67Å; E293-H507 PolarHBondContact OE1-CE1 3.38Å; Y408-H507 HydrophobicContact CE2-CB 4.44Å; G503-H507 PolarHBondContact O-N 2.92Å; L504-H507 PolarHBondContact O-N 2.82Å; Y505-H507 PolarHBondContact O-N 3.33Å; H507-L509 VanDerWaalsContact C-N 3.3Å; H507-L509 PolarHBondContact O-N 3.4Å; H507-K510 WeakPolarHBondContact O-CB 3.42Å; H507-K510 PolarHBondContact O-N 3.05Å
508	F	97.9	Very high	96	Very high	1 Å²	1	46 Å²	46	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-55.2	-39.3	-179.1	178	-106.1	0	0	0	113.6	L290 L291 L319 F447 L451 L504 Y505 K510 S511 N513 F514	L290-F508 HydrophobicContact CD1-CD2 3.94Å; L290-F508 HydrophobicContact CD1-CE2 3.72Å; L290-F508 HydrophobicContact CG-CD2 3.94Å; L290-F508 HydrophobicContact CG-CE2 4.22Å; L290-F508 WeakPolarHBondContact O-CD2 3.43Å; L291-F508 HydrophobicContact CD2-CB 4Å; L319-F508 HydrophobicContact CD2-CE2 3.88Å; L319-F508 HydrophobicContact CD2-CZ 3.87Å; F447-F508 AromaticContact CE1-CD1 3.69Å; F447-F508 HydrophobicContact CE1-CD1 3.69Å; F447-F508 HydrophobicContact CE1-CD2 4.11Å; F447-F508 AromaticContact CE1-CE1 3.76Å; F447-F508 HydrophobicContact CE1-CE1 3.76Å; F447-F508 HydrophobicContact CE1-CE2 4.18Å; F447-F508 AromaticContact CE1-CG 3.87Å; F447-F508 HydrophobicContact CE1-CG 3.87Å; F447-F508 HydrophobicContact CE1-CZ 4.02Å; F447-F508 HydrophobicContact CZ-CB 3.79Å; F447-F508 AromaticContact CZ-CD1 3.55Å; F447-F508 HydrophobicContact CZ-CD1 3.55Å; F447-F508 HydrophobicContact CZ-CD2 4.11Å; F447-F508 HydrophobicContact CZ-CE1 4.13Å; F447-F508 AromaticContact CZ-CG 3.54Å; F447-F508 HydrophobicContact CZ-CG 3.54Å; L451-F508 HydrophobicContact CD1-CD1 4.05Å; L451-F508 HydrophobicContact CD1-CE1 3.66Å; L504-F508 WeakPolarHBondContact O-CB 3.14Å; L504-F508 PolarHBondContact O-N 3.46Å; Y505-F508 PolarHBondContact O-N 2.82Å; Y505-F508 VanDerWaalsContact O-N 3.1Å; F508-K510 PolarHBondContact O-N 2.72Å; F508-S511 WeakPolarHBondContact CD2-OG 3.37Å; F508-S511 VanDerWaalsContact O-CB 3.3Å; F508-S511 WeakPolarHBondContact O-CB 3.41Å; F508-S511 PolarHBondContact O-N 3.44Å; F508-S511 PolarHBondContact O-OG 2.82Å; F508-N513 HydrophobicContact CE2-CB 3.85Å; F508-F514 HydrophobicContact CD1-CB 3.97Å; F508-F514 HydrophobicContact CD1-CD2 4.23Å; F508-F514 HydrophobicContact CD1-CG 4.45Å; F508-F514 HydrophobicContact CE1-CB 3.69Å; F508-F514 AromaticContact CE1-CD2 3.81Å; F508-F514 HydrophobicContact CE1-CD2 3.81Å; F508-F514 HydrophobicContact CE1-CG 4.2Å; F508-F514 HydrophobicContact CE2-CB 4.38Å; F508-F514 HydrophobicContact CG-CB 4.44Å; F508-F514 HydrophobicContact CZ-CB 3.91Å; F508-F514 WeakPolarHBondContact O-CB 3.24Å
509	L	97.4	Very high	96	Very high	27 Å²	27	44.1 Å²	44.1	14%	0.141	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-8	176.3	-66.2	-177.7	0	0	0	114.5	L451 F477 P479 F482 M483 Y505 H507 F514	L451-L509 HydrophobicContact CD2-CD2 4.17Å; F477-L509 HydrophobicContact CE1-CD1 4.11Å; F477-L509 HydrophobicContact CE1-CD2 3.87Å; F477-L509 HydrophobicContact CZ-CD1 4.45Å; F477-L509 HydrophobicContact CZ-CD2 3.7Å; P479-L509 HydrophobicContact CB-CD1 3.91Å; P479-L509 HydrophobicContact CG-CD1 4.43Å; F482-L509 HydrophobicContact CD1-CD1 4.16Å; M483-L509 HydrophobicContact CE-CD1 3.66Å; Y505-L509 WeakPolarHBondContact O-CG 3.47Å; Y505-L509 PolarHBondContact O-N 2.99Å; H507-L509 VanDerWaalsContact C-N 3.3Å; H507-L509 PolarHBondContact O-N 3.4Å; L509-F514 HydrophobicContact CB-CD1 4.44Å; L509-F514 HydrophobicContact CD2-CD1 4.17Å; L509-F514 HydrophobicContact CD2-CD2 3.6Å; L509-F514 HydrophobicContact CD2-CE1 3.97Å; L509-F514 HydrophobicContact CD2-CE2 3.35Å; L509-F514 HydrophobicContact CD2-CG 4Å; L509-F514 HydrophobicContact CD2-CZ 3.56Å; L509-F514 WeakPolarHBondContact O-CD1 3.07Å
510	K	96.2	Very high	95.9	Very high	166 Å²	166	45.2 Å²	45.2	72%	0.722	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-4.7	174.7	-52.7	179	-176	-180	0	113.2	R506 H507 F508	R506-K510 WeakPolarHBondContact O-CE 3.4Å; H507-K510 WeakPolarHBondContact O-CB 3.42Å; H507-K510 PolarHBondContact O-N 3.05Å; F508-K510 PolarHBondContact O-N 2.72Å
511	S	96.3	Very high	95.8	Very high	7 Å²	7	45.2 Å²	45.2	5%	0.049	22%	0.215	C	C	.	.	S	Bend	trans	-80.8	154.6	-176.1	70.5	0	0	0	0	112.6	L291 F508 N513 F514 D515	L291-S511 WeakPolarHBondContact O-CB 3.5Å; F508-S511 WeakPolarHBondContact CD2-OG 3.37Å; F508-S511 VanDerWaalsContact O-CB 3.3Å; F508-S511 WeakPolarHBondContact O-CB 3.41Å; F508-S511 PolarHBondContact O-N 3.44Å; F508-S511 PolarHBondContact O-OG 2.82Å; S511-N513 PolarHBondContact O-N 3.47Å; S511-N513 PolarHBondContact OG-N 3.4Å; S511-F514 PolarHBondContact O-N 3.1Å; S511-F514 PolarHBondContact OG-N 2.77Å; S511-F514 VanDerWaalsContact OG-N 3.07Å; S511-D515 PolarHBondContact O-N 2.99Å
512	P	95.5	Very high	95.7	Very high	46 Å²	46	50.5 Å²	50.5	30%	0.299	24%	0.235	S	C	.	.	H	α-helix	trans	-60.2	-28.1	168.9	-21	32.8	0	0	0	112.8	D515 G516	P512-D515 PolarHBondContact O-N 3.31Å; P512-G516 PolarHBondContact O-N 2.84Å
513	N	96.6	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.8	-40.3	177.9	-67	-19.8	0	0	0	112	V289 L290 F322 S323 F508 S511 W517	V289-N513 PolarHBondContact O-ND2 3.26Å; L290-N513 PolarHBondContact O-ND2 3.3Å; F322-N513 PolarHBondContact N-OD1 3.3Å; S323-N513 PolarHBondContact N-OD1 3.26Å; F508-N513 HydrophobicContact CE2-CB 3.85Å; S511-N513 PolarHBondContact O-N 3.47Å; S511-N513 PolarHBondContact OG-N 3.4Å; N513-W517 WeakPolarHBondContact O-CB 3.31Å; N513-W517 PolarHBondContact O-N 2.94Å
514	F	97.3	Very high	95.2	Very high	22 Å²	22	56.2 Å²	56.2	10%	0.096	26%	0.255	C	S	.	.	H	α-helix	trans	-67.4	-45.8	171.9	172.9	-106.1	0	0	0	111.9	L451 F477 F508 L509 S511 G516 W517 F518	L451-F514 HydrophobicContact CD2-CE2 4.45Å; F477-F514 HydrophobicContact CD1-CZ 4.21Å; F477-F514 HydrophobicContact CD2-CZ 4.4Å; F477-F514 AromaticContact CE1-CZ 3.96Å; F477-F514 HydrophobicContact CE1-CZ 3.96Å; F477-F514 HydrophobicContact CE2-CE2 4.15Å; F477-F514 HydrophobicContact CE2-CZ 4.14Å; F477-F514 HydrophobicContact CG-CZ 4.45Å; F477-F514 HydrophobicContact CZ-CE2 4.05Å; F477-F514 AromaticContact CZ-CZ 3.93Å; F477-F514 HydrophobicContact CZ-CZ 3.93Å; F508-F514 HydrophobicContact CD1-CB 3.97Å; F508-F514 HydrophobicContact CD1-CD2 4.23Å; F508-F514 HydrophobicContact CD1-CG 4.45Å; F508-F514 HydrophobicContact CE1-CB 3.69Å; F508-F514 AromaticContact CE1-CD2 3.81Å; F508-F514 HydrophobicContact CE1-CD2 3.81Å; F508-F514 HydrophobicContact CE1-CG 4.2Å; F508-F514 HydrophobicContact CE2-CB 4.38Å; F508-F514 HydrophobicContact CG-CB 4.44Å; F508-F514 HydrophobicContact CZ-CB 3.91Å; F508-F514 WeakPolarHBondContact O-CB 3.24Å; L509-F514 HydrophobicContact CB-CD1 4.44Å; L509-F514 HydrophobicContact CD2-CD1 4.17Å; L509-F514 HydrophobicContact CD2-CD2 3.6Å; L509-F514 HydrophobicContact CD2-CE1 3.97Å; L509-F514 HydrophobicContact CD2-CE2 3.35Å; L509-F514 HydrophobicContact CD2-CG 4Å; L509-F514 HydrophobicContact CD2-CZ 3.56Å; L509-F514 WeakPolarHBondContact O-CD1 3.07Å; S511-F514 PolarHBondContact O-N 3.1Å; S511-F514 PolarHBondContact OG-N 2.77Å; S511-F514 VanDerWaalsContact OG-N 3.07Å; F514-G516 PolarHBondContact O-N 3.19Å; F514-W517 AromaticContact CD2-CE3 3.9Å; F514-W517 HydrophobicContact CD2-CE3 3.9Å; F514-W517 HydrophobicContact CD2-CZ3 4.18Å; F514-W517 AromaticContact CE2-CE3 3.98Å; F514-W517 HydrophobicContact CE2-CE3 3.98Å; F514-W517 AromaticContact CE2-CZ3 3.85Å; F514-W517 HydrophobicContact CE2-CZ3 3.85Å; F514-W517 PolarHBondContact O-N 2.83Å; F514-F518 HydrophobicContact CD2-CB 4.47Å; F514-F518 HydrophobicContact CE1-CB 4.37Å; F514-F518 HydrophobicContact CE2-CB 4.05Å; F514-F518 HydrophobicContact CE2-CG 4.45Å; F514-F518 HydrophobicContact CZ-CB 3.99Å; F514-F518 HydrophobicContact CZ-CD2 4.44Å; F514-F518 HydrophobicContact CZ-CG 4.07Å; F514-F518 VanDerWaalsContact O-CB 3.25Å; F514-F518 WeakPolarHBondContact O-CB 3.36Å; F514-F518 PolarHBondContact O-N 2.88Å
515	D	96.1	Very high	94.9	Very high	73 Å²	73	56.9 Å²	56.9	39%	0.39	26%	0.258	S	S	.	.	H	α-helix	trans	-58.2	-49.4	-179.8	172.6	70.3	0	0	0	111.9	S511 P512 K519	S511-D515 PolarHBondContact O-N 2.99Å; P512-D515 PolarHBondContact O-N 3.31Å; D515-K519 VanDerWaalsContact O-CB 3.29Å; D515-K519 WeakPolarHBondContact O-CB 3.16Å; D515-K519 WeakPolarHBondContact O-CD 3.4Å; D515-K519 VanDerWaalsContact O-CG 3.25Å; D515-K519 WeakPolarHBondContact O-CG 3.42Å; D515-K519 PolarHBondContact O-N 3.17Å; D515-K519 WeakPolarHBondContact OD1-CE 3.26Å; D515-K519 IonicContact OD1-NZ 2.72Å; D515-K519 PolarHBondContact OD1-NZ 2.79Å; D515-K519 WeakPolarHBondContact OD2-CE 3.47Å; D515-K519 IonicContact OD2-NZ 3.68Å; D515-K519 PolarHBondContact OD2-NZ 2.71Å
516	G	94.1	Very high	94.6	Very high	8 Å²	8	59.5 Å²	59.5	8%	0.082	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-41.6	176.5	0	0	0	0	0	113.1	F322 P512 F514 T520	F322-G516 WeakPolarHBondContact CZ-O 3.35Å; P512-G516 PolarHBondContact O-N 2.84Å; F514-G516 PolarHBondContact O-N 3.19Å; G516-T520 WeakPolarHBondContact O-CB 3.34Å; G516-T520 PolarHBondContact O-N 3.42Å; G516-T520 PolarHBondContact O-OG1 3.17Å
517	W	95	Very high	94.3	Very high	26 Å²	26	56 Å²	56	10%	0.098	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-48.2	177.1	171.9	83.5	0	0	0	111.4	L319 F322 L451 E452 V455 N513 F514 T520 R521	L319-W517 HydrophobicContact CD1-CB 4.14Å; L319-W517 VanDerWaalsContact CD1-CD1 3.46Å; L319-W517 HydrophobicContact CD1-CG 3.86Å; F322-W517 HydrophobicContact CE2-CB 4.19Å; L451-W517 HydrophobicContact CB-CH2 3.69Å; L451-W517 HydrophobicContact CB-CZ2 4.14Å; L451-W517 HydrophobicContact CB-CZ3 4.29Å; L451-W517 HydrophobicContact CD2-CZ3 4.48Å; E452-W517 HydrophobicContact CG-CZ2 3.97Å; V455-W517 HydrophobicContact CB-CH2 4.21Å; V455-W517 HydrophobicContact CG2-CH2 3.63Å; V455-W517 HydrophobicContact CG2-CZ3 3.93Å; N513-W517 WeakPolarHBondContact O-CB 3.31Å; N513-W517 PolarHBondContact O-N 2.94Å; F514-W517 AromaticContact CD2-CE3 3.9Å; F514-W517 HydrophobicContact CD2-CE3 3.9Å; F514-W517 HydrophobicContact CD2-CZ3 4.18Å; F514-W517 AromaticContact CE2-CE3 3.98Å; F514-W517 HydrophobicContact CE2-CE3 3.98Å; F514-W517 AromaticContact CE2-CZ3 3.85Å; F514-W517 HydrophobicContact CE2-CZ3 3.85Å; F514-W517 PolarHBondContact O-N 2.83Å; W517-T520 WeakPolarHBondContact O-CB 3.34Å; W517-T520 PolarHBondContact O-N 3.31Å; W517-R521 WeakPolarHBondContact O-CB 3.17Å; W517-R521 PolarHBondContact O-N 2.7Å
518	F	95.9	Very high	94	Very high	43 Å²	43	59 Å²	59	19%	0.189	27%	0.272	C	S	.	.	H	α-helix	trans	-68.6	-39	-178.5	-176.5	-113.1	0	0	0	111.8	V455 L458 F477 F514 T520 R521 R522	V455-F518 HydrophobicContact CG1-CE2 4.48Å; V455-F518 HydrophobicContact CG2-CD2 4.1Å; V455-F518 HydrophobicContact CG2-CE2 4.06Å; L458-F518 HydrophobicContact CD1-CE2 4.45Å; F477-F518 HydrophobicContact CB-CE1 4.28Å; F477-F518 HydrophobicContact CB-CE2 3.91Å; F477-F518 HydrophobicContact CB-CZ 3.61Å; F477-F518 HydrophobicContact CD2-CD2 4.27Å; F477-F518 AromaticContact CD2-CE2 3.89Å; F477-F518 HydrophobicContact CD2-CE2 3.89Å; F477-F518 HydrophobicContact CD2-CZ 4.46Å; F477-F518 HydrophobicContact CG-CE2 4.25Å; F477-F518 HydrophobicContact CG-CZ 4.37Å; F514-F518 HydrophobicContact CD2-CB 4.47Å; F514-F518 HydrophobicContact CE1-CB 4.37Å; F514-F518 HydrophobicContact CE2-CB 4.05Å; F514-F518 HydrophobicContact CE2-CG 4.45Å; F514-F518 HydrophobicContact CZ-CB 3.99Å; F514-F518 HydrophobicContact CZ-CD2 4.44Å; F514-F518 HydrophobicContact CZ-CG 4.07Å; F514-F518 VanDerWaalsContact O-CB 3.25Å; F514-F518 WeakPolarHBondContact O-CB 3.36Å; F514-F518 PolarHBondContact O-N 2.88Å; F518-T520 VanDerWaalsContact C-N 3.34Å; F518-T520 PolarHBondContact O-N 3.13Å; F518-R521 PolarHBondContact O-N 2.76Å; F518-R522 WeakPolarHBondContact O-CB 3.49Å; F518-R522 PolarHBondContact O-N 3.11Å
519	K	94.1	Very high	93.7	Very high	123 Å²	123	59.3 Å²	59.3	54%	0.535	27%	0.274	S	S	.	.	H	α-helix	trans	-58.6	-45.1	170.6	-78.9	168	175.2	162.6	0	111.9	D515 K523	D515-K519 VanDerWaalsContact O-CB 3.29Å; D515-K519 WeakPolarHBondContact O-CB 3.16Å; D515-K519 WeakPolarHBondContact O-CD 3.4Å; D515-K519 VanDerWaalsContact O-CG 3.25Å; D515-K519 WeakPolarHBondContact O-CG 3.42Å; D515-K519 PolarHBondContact O-N 3.17Å; D515-K519 WeakPolarHBondContact OD1-CE 3.26Å; D515-K519 IonicContact OD1-NZ 2.72Å; D515-K519 PolarHBondContact OD1-NZ 2.79Å; D515-K519 WeakPolarHBondContact OD2-CE 3.47Å; D515-K519 IonicContact OD2-NZ 3.68Å; D515-K519 PolarHBondContact OD2-NZ 2.71Å; K519-K523 PolarHBondContact O-N 2.9Å
520	T	91.1	Very high	93.3	Very high	62 Å²	62	60.3 Å²	60.3	38%	0.38	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-52.9	177.3	-55.1	0	0	0	0	110.9	F322 G516 W517 F518 R522 K523 E524	F322-T520 WeakPolarHBondContact CZ-OG1 3.3Å; G516-T520 WeakPolarHBondContact O-CB 3.34Å; G516-T520 PolarHBondContact O-N 3.42Å; G516-T520 PolarHBondContact O-OG1 3.17Å; W517-T520 WeakPolarHBondContact O-CB 3.34Å; W517-T520 PolarHBondContact O-N 3.31Å; F518-T520 VanDerWaalsContact C-N 3.34Å; F518-T520 PolarHBondContact O-N 3.13Å; T520-R522 VanDerWaalsContact C-N 3.34Å; T520-R522 PolarHBondContact O-N 3.19Å; T520-K523 WeakPolarHBondContact O-CB 3.38Å; T520-K523 PolarHBondContact O-N 3.27Å; T520-K523 VanDerWaalsContact O-N 3.09Å; T520-E524 PolarHBondContact O-N 3.23Å
521	R	92.9	Very high	93	Very high	81 Å²	81	52.5 Å²	52.5	31%	0.306	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-36.3	-179	-164.9	54.2	150	-172.1	-13.2	112.6	E452 V455 W517 F518 E524 M525	E452-R521 IonicContact OE1-CZ 3.45Å; E452-R521 IonicContact OE1-NH2 3.26Å; E452-R521 PolarHBondContact OE1-NH2 3.21Å; V455-R521 HydrophobicContact CG1-CB 4.44Å; V455-R521 HydrophobicContact CG1-CG 3.65Å; W517-R521 WeakPolarHBondContact O-CB 3.17Å; W517-R521 PolarHBondContact O-N 2.7Å; F518-R521 PolarHBondContact O-N 2.76Å; R521-E524 WeakPolarHBondContact CD-OE2 3.31Å; R521-E524 IonicContact CZ-OE2 3.79Å; R521-E524 IonicContact NE-OE2 3.61Å; R521-E524 IonicContact NH1-OE2 3.37Å; R521-E524 PolarHBondContact NH1-OE2 3.4Å; R521-E524 PolarHBondContact O-N 3.26Å; R521-M525 HydrophobicContact CG-SD 4.33Å; R521-M525 WeakPolarHBondContact O-CB 3.26Å; R521-M525 WeakPolarHBondContact O-CG 3.44Å; R521-M525 PolarHBondContact O-N 2.63Å
522	R	93.1	Very high	92.7	Very high	128 Å²	128	54.1 Å²	54.1	48%	0.483	25%	0.252	S	S	.	.	H	α-helix	trans	-64.8	-37.9	173.1	-173	177.3	-179.2	-87.4	0.1	111.8	L474 F518 T520 M525 I526	L474-R522 HydrophobicContact CD1-CG 4.05Å; F518-R522 WeakPolarHBondContact O-CB 3.49Å; F518-R522 PolarHBondContact O-N 3.11Å; T520-R522 VanDerWaalsContact C-N 3.34Å; T520-R522 PolarHBondContact O-N 3.19Å; R522-M525 PolarHBondContact O-N 3.27Å; R522-I526 HydrophobicContact CG-CD1 4.15Å; R522-I526 VanDerWaalsContact O-CG1 3.28Å; R522-I526 WeakPolarHBondContact O-CG1 3.46Å; R522-I526 PolarHBondContact O-N 3.44Å
523	K	90.8	Very high	92.5	Very high	123 Å²	123	52.3 Å²	52.3	54%	0.535	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-50.5	172.2	-176.3	-176.7	173.6	-176.2	0	110.8	K519 T520 M525 I526 Q527	K519-K523 PolarHBondContact O-N 2.9Å; T520-K523 WeakPolarHBondContact O-CB 3.38Å; T520-K523 PolarHBondContact O-N 3.27Å; T520-K523 VanDerWaalsContact O-N 3.09Å; K523-M525 VanDerWaalsContact C-N 3.27Å; K523-M525 PolarHBondContact O-N 2.9Å; K523-I526 PolarHBondContact O-N 3.4Å; K523-I526 VanDerWaalsContact O-N 3.14Å; K523-Q527 HydrophobicContact CG-CG 4.32Å; K523-Q527 WeakPolarHBondContact O-CG 3.42Å; K523-Q527 PolarHBondContact O-N 2.67Å
524	E	89.9	Confident	92.1	Very high	83 Å²	83	52.6 Å²	52.6	39%	0.388	24%	0.241	S	C	.	.	H	α-helix	trans	-56.1	-41	177.8	-67	169.4	-178.5	0	0	112.3	T520 R521 K528	T520-E524 PolarHBondContact O-N 3.23Å; R521-E524 WeakPolarHBondContact CD-OE2 3.31Å; R521-E524 IonicContact CZ-OE2 3.79Å; R521-E524 IonicContact NE-OE2 3.61Å; R521-E524 IonicContact NH1-OE2 3.37Å; R521-E524 PolarHBondContact NH1-OE2 3.4Å; R521-E524 PolarHBondContact O-N 3.26Å; E524-K528 VanDerWaalsContact O-CB 3.28Å; E524-K528 WeakPolarHBondContact O-CB 3.47Å; E524-K528 PolarHBondContact O-N 2.93Å
525	M	91.7	Very high	91.7	Very high	15 Å²	15	52.6 Å²	52.6	7%	0.074	24%	0.241	C	C	.	.	H	α-helix	trans	-67.3	-40.2	176.6	-72.1	165.7	72	0	0	113.2	V455 L458 M459 L474 R521 R522 K523 L529	V455-M525 HydrophobicContact CG1-CE 4.23Å; V455-M525 HydrophobicContact CG1-SD 3.39Å; V455-M525 WeakPolarHBondContact CG1-SD 3.26Å; V455-M525 WeakPolarHBondContact O-CE 3.46Å; L458-M525 HydrophobicContact CB-CE 4.04Å; M459-M525 HydrophobicContact CG-CE 3.91Å; M459-M525 HydrophobicContact SD-CB 3.72Å; M459-M525 HydrophobicContact SD-CE 3.68Å; M459-M525 HydrophobicContact SD-CG 3.8Å; L474-M525 HydrophobicContact CD1-CB 3.64Å; L474-M525 HydrophobicContact CD1-CE 4.06Å; L474-M525 HydrophobicContact CD2-CB 4.32Å; L474-M525 HydrophobicContact CD2-CE 4.18Å; R521-M525 HydrophobicContact CG-SD 4.33Å; R521-M525 WeakPolarHBondContact O-CB 3.26Å; R521-M525 WeakPolarHBondContact O-CG 3.44Å; R521-M525 PolarHBondContact O-N 2.63Å; R522-M525 PolarHBondContact O-N 3.27Å; K523-M525 VanDerWaalsContact C-N 3.27Å; K523-M525 PolarHBondContact O-N 2.9Å; M525-L529 WeakPolarHBondContact O-CB 3.09Å; M525-L529 PolarHBondContact O-N 3.47Å
526	I	91.2	Very high	91.4	Very high	54 Å²	54	50.5 Å²	50.5	28%	0.277	23%	0.234	S	C	.	.	H	α-helix	trans	-63.6	-51.7	174.9	-70.7	167.2	0	0	0	109.6	L474 R522 K523 K528 L529 E530	L474-I526 HydrophobicContact CD1-CG1 3.73Å; L474-I526 HydrophobicContact CG-CG1 4.36Å; R522-I526 HydrophobicContact CG-CD1 4.15Å; R522-I526 VanDerWaalsContact O-CG1 3.28Å; R522-I526 WeakPolarHBondContact O-CG1 3.46Å; R522-I526 PolarHBondContact O-N 3.44Å; K523-I526 PolarHBondContact O-N 3.4Å; K523-I526 VanDerWaalsContact O-N 3.14Å; I526-K528 VanDerWaalsContact C-N 3.29Å; I526-K528 PolarHBondContact O-N 3.3Å; I526-L529 CarbonylContact O-C 3.57Å; I526-L529 WeakPolarHBondContact O-CA 3.43Å; I526-L529 WeakPolarHBondContact O-CB 3.33Å; I526-L529 PolarHBondContact O-N 3.12Å; I526-E530 HydrophobicContact CG2-CG 4.35Å; I526-E530 WeakPolarHBondContact O-CG 3.25Å; I526-E530 PolarHBondContact O-N 3.09Å
527	Q	89.9	Confident	91	Very high	30 Å²	30	50.3 Å²	50.3	14%	0.14	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-37	179.6	-68.4	-171.9	-62.1	0	0	112.5	K523 A531 E571 L573	K523-Q527 HydrophobicContact CG-CG 4.32Å; K523-Q527 WeakPolarHBondContact O-CG 3.42Å; K523-Q527 PolarHBondContact O-N 2.67Å; Q527-A531 WeakPolarHBondContact O-CB 3.37Å; Q527-A531 PolarHBondContact O-N 3.32Å; Q527-E571 PolarHBondContact NE2-O 2.88Å; Q527-E571 VanDerWaalsContact NE2-O 3.1Å; Q527-L573 HydrophobicContact CB-CD2 3.63Å; Q527-L573 HydrophobicContact CG-CD2 3.79Å
528	K	90.5	Very high	90.7	Very high	121 Å²	121	49.2 Å²	49.2	53%	0.526	23%	0.228	S	C	.	.	H	α-helix	trans	-67.2	-34.3	172.5	-178.3	166.1	-177.3	168.8	0	112.8	E524 I526 L532 P574	E524-K528 VanDerWaalsContact O-CB 3.28Å; E524-K528 WeakPolarHBondContact O-CB 3.47Å; E524-K528 PolarHBondContact O-N 2.93Å; I526-K528 VanDerWaalsContact C-N 3.29Å; I526-K528 PolarHBondContact O-N 3.3Å; K528-L532 HydrophobicContact CG-CD1 4.3Å; K528-L532 VanDerWaalsContact O-CG 3.3Å; K528-L532 WeakPolarHBondContact O-CG 3.39Å; K528-L532 PolarHBondContact O-N 2.83Å; K528-P574 HydrophobicContact CB-CG 4.41Å
529	L	91.3	Very high	90.3	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-74.8	-36.6	178.2	-172.8	58.1	0	0	0	112.1	M459 P460 I465 P471 P472 L474 M525 I526 L532 H533	M459-L529 HydrophobicContact CE-CB 4.3Å; M459-L529 HydrophobicContact CE-CD1 4.45Å; P460-L529 HydrophobicContact CG-CD2 4.05Å; I465-L529 HydrophobicContact CD1-CD1 3.52Å; I465-L529 HydrophobicContact CG1-CD1 3.83Å; P471-L529 HydrophobicContact CB-CG 4.39Å; P472-L529 HydrophobicContact CG-CD1 4.34Å; P472-L529 HydrophobicContact CG-CD2 4.33Å; P472-L529 WeakPolarHBondContact O-CD2 3.42Å; L474-L529 HydrophobicContact CD2-CD2 3.97Å; M525-L529 WeakPolarHBondContact O-CB 3.09Å; M525-L529 PolarHBondContact O-N 3.47Å; I526-L529 CarbonylContact O-C 3.57Å; I526-L529 WeakPolarHBondContact O-CA 3.43Å; I526-L529 WeakPolarHBondContact O-CB 3.33Å; I526-L529 PolarHBondContact O-N 3.12Å; L529-L532 PolarHBondContact O-N 2.95Å; L529-H533 WeakPolarHBondContact O-CB 3.31Å; L529-H533 PolarHBondContact O-N 3.44Å
530	E	89.5	Confident	89.9	Confident	49 Å²	49	50.4 Å²	50.4	23%	0.229	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-43.2	171	-69.9	168.3	148.4	0	0	111	I526 H533 L534 L573	I526-E530 HydrophobicContact CG2-CG 4.35Å; I526-E530 WeakPolarHBondContact O-CG 3.25Å; I526-E530 PolarHBondContact O-N 3.09Å; E530-H533 PolarHBondContact O-N 3.11Å; E530-L534 WeakPolarHBondContact O-CB 3.17Å; E530-L534 PolarHBondContact O-N 3.33Å; E530-L573 HydrophobicContact CB-CD1 4.05Å
531	A	90.1	Very high	89.6	Confident	2 Å²	2	52 Å²	52	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-58.8	-48.9	172.2	0	0	0	0	0	112.4	Q527 H533 L534 E535 L573 P574 V575	Q527-A531 WeakPolarHBondContact O-CB 3.37Å; Q527-A531 PolarHBondContact O-N 3.32Å; A531-H533 VanDerWaalsContact C-N 3.28Å; A531-H533 PolarHBondContact O-N 3.4Å; A531-L534 PolarHBondContact O-N 2.98Å; A531-E535 WeakPolarHBondContact O-CG 3.4Å; A531-E535 PolarHBondContact O-N 3.04Å; A531-L573 HydrophobicContact CB-CB 4.47Å; A531-P574 HydrophobicContact CB-CG 4.14Å; A531-V575 HydrophobicContact CB-CG1 3.59Å
532	L	90.4	Very high	89.1	Confident	40 Å²	40	48.4 Å²	48.4	21%	0.209	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-31.3	177	-73.6	169.1	0	0	0	113.1	I465 K528 L529 A536	I465-L532 HydrophobicContact CD1-CB 3.7Å; I465-L532 HydrophobicContact CD1-CD1 4.09Å; K528-L532 HydrophobicContact CG-CD1 4.3Å; K528-L532 VanDerWaalsContact O-CG 3.3Å; K528-L532 WeakPolarHBondContact O-CG 3.39Å; K528-L532 PolarHBondContact O-N 2.83Å; L529-L532 PolarHBondContact O-N 2.95Å; L532-A536 WeakPolarHBondContact O-CB 3.49Å; L532-A536 PolarHBondContact O-N 2.81Å
533	H	90.3	Very high	88.7	Confident	9 Å²	9	46 Å²	46	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-73.8	-36.4	174.1	176	65.6	0	0	0	112.2	I465 S466 P467 K469 P471 L529 E530 A531 A536 L537 K564	I465-H533 HydrophobicContact CG2-CB 3.99Å; S466-H533 PolarHBondContact O-CE1 2.88Å; S466-H533 PolarHBondContact O-ND1 2.87Å; P467-H533 PolarHBondContact O-CE1 3.01Å; P467-H533 VanDerWaalsContact O-CE1 3.22Å; K469-H533 PolarHBondContact O-CE1 3.34Å; P471-H533 HydrophobicContact CG-CB 4.14Å; L529-H533 WeakPolarHBondContact O-CB 3.31Å; L529-H533 PolarHBondContact O-N 3.44Å; E530-H533 PolarHBondContact O-N 3.11Å; A531-H533 VanDerWaalsContact C-N 3.28Å; A531-H533 PolarHBondContact O-N 3.4Å; H533-A536 PolarHBondContact O-N 3.04Å; H533-L537 PolarHBondContact O-N 3.46Å; H533-L537 VanDerWaalsContact O-N 3.09Å; H533-K564 PolarHBondContact NE2-NZ 2.84Å
534	L	88.1	Confident	88.5	Confident	6 Å²	6	43.8 Å²	43.8	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-67.7	-42.9	174.1	-160.5	69	0	0	0	111.3	E530 A531 A536 L537 C538 K564 A568 V575 M580 L583	E530-L534 WeakPolarHBondContact O-CB 3.17Å; E530-L534 PolarHBondContact O-N 3.33Å; A531-L534 PolarHBondContact O-N 2.98Å; L534-A536 VanDerWaalsContact C-N 3.35Å; L534-A536 PolarHBondContact O-N 3.23Å; L534-L537 WeakPolarHBondContact O-CB 3.48Å; L534-L537 PolarHBondContact O-N 2.96Å; L534-C538 PolarHBondContact O-N 3.3Å; L534-C538 VanDerWaalsContact O-N 3.12Å; L534-C538 PolarHBondContact O-SG 2.91Å; L534-K564 HydrophobicContact CD1-CB 3.9Å; L534-K564 HydrophobicContact CD1-CD 4.11Å; L534-A568 HydrophobicContact CD2-CB 3.87Å; L534-V575 HydrophobicContact CD2-CG1 4.28Å; L534-M580 HydrophobicContact CD2-SD 4.04Å; L534-L583 HydrophobicContact CD1-CD2 3.76Å; L534-L583 HydrophobicContact CD2-CD2 4.06Å; L534-L583 HydrophobicContact CG-CD2 4.09Å
535	E	90.1	Very high	88.3	Confident	21 Å²	21	42.3 Å²	42.3	10%	0.098	21%	0.21	C	C	.	.	H	α-helix	trans	-57.7	-46.7	171.4	-74.1	-177.6	-163.7	0	0	111.4	A531 L537 C538 E539 K576 T579	A531-E535 WeakPolarHBondContact O-CG 3.4Å; A531-E535 PolarHBondContact O-N 3.04Å; E535-L537 PolarHBondContact O-N 3.07Å; E535-C538 PolarHBondContact O-N 3.1Å; E535-E539 PolarHBondContact O-N 2.81Å; E535-K576 HydrophobicContact CG-CD 4.34Å; E535-K576 WeakPolarHBondContact OE1-CG 3.49Å; E535-K576 PolarHBondContact OE1-N 3.08Å; E535-K576 VanDerWaalsContact OE1-N 3.11Å; E535-K576 WeakPolarHBondContact OE2-CE 3.34Å; E535-K576 IonicContact OE2-NZ 2.7Å; E535-K576 PolarHBondContact OE2-NZ 3.26Å; E535-T579 HydrophobicContact CG-CG2 3.98Å
536	A	88.7	Confident	88.1	Confident	29 Å²	29	42.8 Å²	42.8	24%	0.24	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-33.1	177.6	0	0	0	0	0	112.9	I465 P467 L532 H533 L534	I465-A536 HydrophobicContact CG2-CB 4.42Å; P467-A536 HydrophobicContact CG-CB 3.96Å; P467-A536 VanDerWaalsContact CG-O 3.3Å; P467-A536 WeakPolarHBondContact CG-O 3.2Å; L532-A536 WeakPolarHBondContact O-CB 3.49Å; L532-A536 PolarHBondContact O-N 2.81Å; H533-A536 PolarHBondContact O-N 3.04Å; L534-A536 VanDerWaalsContact C-N 3.35Å; L534-A536 PolarHBondContact O-N 3.23Å
537	L	87.2	Confident	87.8	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-72.4	-24.6	173.5	-85.3	157.6	0	0	0	114.3	P467 H533 L534 E535 K564	P467-L537 HydrophobicContact CB-CD2 3.74Å; P467-L537 HydrophobicContact CB-CG 3.83Å; P467-L537 WeakPolarHBondContact O-CD2 3.45Å; H533-L537 PolarHBondContact O-N 3.46Å; H533-L537 VanDerWaalsContact O-N 3.09Å; L534-L537 WeakPolarHBondContact O-CB 3.48Å; L534-L537 PolarHBondContact O-N 2.96Å; E535-L537 PolarHBondContact O-N 3.07Å; L537-K564 HydrophobicContact CD1-CD 4.22Å
538	C	87.2	Confident	87.6	Confident	4 Å²	4	53 Å²	53	3%	0.027	26%	0.256	C	S	.	.	H	α-helix	trans	-87.8	-8.6	-179.4	-61.2	0	0	0	0	113.4	L534 E535 T579 K582 H586	L534-C538 PolarHBondContact O-N 3.3Å; L534-C538 VanDerWaalsContact O-N 3.12Å; L534-C538 PolarHBondContact O-SG 2.91Å; E535-C538 PolarHBondContact O-N 3.1Å; C538-T579 HydrophobicContact CB-CG2 4.28Å; C538-K582 HydrophobicContact CB-CB 4.45Å; C538-H586 PolarHBondContact O-CE1 3.49Å
539	E	87.3	Confident	87.5	Confident	116 Å²	116	50.6 Å²	50.6	54%	0.542	25%	0.247	S	C	.	.	S	Bend	trans	-104.4	3.6	175.1	-51.6	-64.1	145.1	0	0	112.6	E535 K582	E535-E539 PolarHBondContact O-N 2.81Å; E539-K582 VanDerWaalsContact CD-NZ 3.33Å; E539-K582 IonicContact OE1-NZ 2.62Å; E539-K582 PolarHBondContact OE1-NZ 2.89Å; E539-K582 IonicContact OE2-NZ 3.97Å; E539-K582 PolarHBondContact OE2-NZ 3.23Å
540	E	86.2	Confident	87.4	Confident	75 Å²	75	54 Å²	54	35%	0.35	27%	0.268	S	S	.	.	S	Bend	trans	-91.9	147.7	171.1	-66	-88.7	141.5	0	0	111.3	P467 W468 L542	P467-E540 HydrophobicContact CB-CG 3.77Å; P467-E540 HydrophobicContact CG-CG 3.52Å; W468-E540 HydrophobicContact CZ2-CB 4.08Å; W468-E540 HydrophobicContact CZ2-CG 4.29Å; W468-E540 PolarHBondContact NE1-OE2 3.36Å; E540-L542 HydrophobicContact CB-CD2 4.16Å; E540-L542 PolarHBondContact O-N 2.96Å; E540-L542 VanDerWaalsContact O-N 3.13Å
541	D	84.4	Confident	87.3	Confident	96 Å²	96	57 Å²	57	51%	0.513	28%	0.282	S	S	.	.			trans	-78.6	94.9	172	-174.5	-14.8	0	0	0	110.8	L543 L544 W545	D541-L543 VanDerWaalsContact C-N 3.31Å; D541-L543 PolarHBondContact OD1-N 2.82Å; D541-L544 HydrophobicContact CB-CB 4.06Å; D541-L544 PolarHBondContact OD1-N 3.26Å; D541-L544 VanDerWaalsContact OD2-CB 3.3Å; D541-L544 WeakPolarHBondContact OD2-CB 3.31Å; D541-W545 PolarHBondContact O-N 3.31Å
542	L	84.3	Confident	87.1	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-73.3	-20.8	179.9	-51.7	-176.4	0	0	0	112.9	W468 E540 W545 I546 L561 H586 I590	W468-L542 HydrophobicContact CH2-CD2 3.45Å; W468-L542 VanDerWaalsContact CH2-CD2 3.45Å; W468-L542 HydrophobicContact CZ2-CD2 3.94Å; W468-L542 HydrophobicContact CZ3-CD2 4.38Å; E540-L542 HydrophobicContact CB-CD2 4.16Å; E540-L542 PolarHBondContact O-N 2.96Å; E540-L542 VanDerWaalsContact O-N 3.13Å; L542-W545 WeakPolarHBondContact O-CB 3.41Å; L542-W545 PolarHBondContact O-N 3.45Å; L542-I546 WeakPolarHBondContact O-CD1 3.32Å; L542-I546 VanDerWaalsContact O-CG1 3.32Å; L542-I546 WeakPolarHBondContact O-CG1 3.4Å; L542-I546 PolarHBondContact O-N 2.94Å; L542-L561 HydrophobicContact CD1-CD1 3.93Å; L542-H586 HydrophobicContact CD1-CB 4.09Å; L542-I590 HydrophobicContact CB-CD1 3.85Å; L542-I590 HydrophobicContact CB-CG1 4.45Å; L542-I590 HydrophobicContact CD1-CD1 3.9Å
543	L	84.4	Confident	87	Confident	78 Å²	78	64 Å²	64	41%	0.408	32%	0.321	S	S	.	.	H	α-helix	trans	-77.2	-41.6	177.7	-64.6	175.1	0	0	0	110.7	D541 W545 I546 Q547 A589 I590	D541-L543 VanDerWaalsContact C-N 3.31Å; D541-L543 PolarHBondContact OD1-N 2.82Å; L543-W545 PolarHBondContact O-N 3.22Å; L543-I546 PolarHBondContact O-N 2.8Å; L543-Q547 WeakPolarHBondContact O-CG 3.21Å; L543-Q547 PolarHBondContact O-N 2.9Å; L543-A589 HydrophobicContact CD2-CB 4.45Å; L543-I590 HydrophobicContact CD2-CG1 4.38Å
544	L	85.9	Confident	86.8	Confident	76 Å²	76	63.6 Å²	63.6	40%	0.398	32%	0.319	S	S	.	.	H	α-helix	trans	-66.6	-21.3	171.3	-176.8	63.5	0	0	0	113.1	D541 K548	D541-L544 HydrophobicContact CB-CB 4.06Å; D541-L544 PolarHBondContact OD1-N 3.26Å; D541-L544 VanDerWaalsContact OD2-CB 3.3Å; D541-L544 WeakPolarHBondContact OD2-CB 3.31Å; L544-K548 WeakPolarHBondContact O-CE 3.41Å; L544-K548 PolarHBondContact O-NZ 2.72Å
545	W	84.8	Confident	86.7	Confident	52 Å²	52	65 Å²	65	20%	0.197	33%	0.328	C	S	.	.	H	α-helix	trans	-71.3	-50.5	170	-171.7	90.7	0	0	0	111	W468 D541 L542 L543 Q547 K548 H549 E553 L557	W468-W545 AromaticContact CE3-NE1 3.67Å; W468-W545 HydrophobicContact CH2-CB 3.95Å; W468-W545 AromaticContact CH2-CD1 3.29Å; W468-W545 AromaticContact CH2-CD2 3.95Å; W468-W545 HydrophobicContact CH2-CD2 3.95Å; W468-W545 AromaticContact CH2-CG 3.46Å; W468-W545 HydrophobicContact CH2-CG 3.46Å; W468-W545 VanDerWaalsContact CH2-CG 3.46Å; W468-W545 AromaticContact CH2-NE1 3.68Å; W468-W545 HydrophobicContact CZ2-CB 4.37Å; W468-W545 AromaticContact CZ2-CD1 3.56Å; W468-W545 HydrophobicContact CZ2-CG 4.05Å; W468-W545 AromaticContact CZ3-CD1 3.59Å; W468-W545 AromaticContact CZ3-CD2 3.92Å; W468-W545 HydrophobicContact CZ3-CD2 3.92Å; W468-W545 AromaticContact CZ3-CE2 3.63Å; W468-W545 AromaticContact CZ3-CG 3.9Å; W468-W545 HydrophobicContact CZ3-CG 3.9Å; W468-W545 HydrophobicContact CZ3-CZ2 4.26Å; W468-W545 AromaticContact CZ3-NE1 3.42Å; D541-W545 PolarHBondContact O-N 3.31Å; L542-W545 WeakPolarHBondContact O-CB 3.41Å; L542-W545 PolarHBondContact O-N 3.45Å; L543-W545 PolarHBondContact O-N 3.22Å; W545-Q547 VanDerWaalsContact C-N 3.3Å; W545-Q547 PolarHBondContact O-N 3.02Å; W545-K548 PolarHBondContact O-N 2.85Å; W545-H549 AromaticContact CD2-CD2 3.52Å; W545-H549 AromaticContact CE2-CD2 3.27Å; W545-H549 AromaticContact CE2-CG 3.97Å; W545-H549 AromaticContact CE2-NE2 3.47Å; W545-H549 HydrophobicContact CE3-CB 4.17Å; W545-H549 AromaticContact CE3-CD2 3.91Å; W545-H549 HydrophobicContact CH2-CB 4.03Å; W545-H549 AromaticContact CH2-CD2 3.88Å; W545-H549 AromaticContact CH2-CG 3.72Å; W545-H549 AromaticContact CZ2-CD2 3.48Å; W545-H549 VanDerWaalsContact CZ2-CD2 3.48Å; W545-H549 WeakPolarHBondContact CZ2-CD2 3.36Å; W545-H549 AromaticContact CZ2-CE1 3.88Å; W545-H549 AromaticContact CZ2-CG 3.74Å; W545-H549 AromaticContact CZ2-ND1 3.97Å; W545-H549 AromaticContact CZ2-NE2 3.59Å; W545-H549 HydrophobicContact CZ3-CB 3.83Å; W545-H549 AromaticContact CZ3-CG 3.94Å; W545-H549 AromaticContact NE1-CD2 3.63Å; W545-H549 AromaticContact NE1-NE2 3.48Å; W545-H549 PolarHBondContact NE1-NE2 3.01Å; W545-H549 PolarHBondContact O-CD2 2.94Å; W545-E553 HydrophobicContact CH2-CB 4.2Å; W545-L557 HydrophobicContact CD2-CD2 4.32Å; W545-L557 HydrophobicContact CE3-CD2 3.6Å; W545-L557 HydrophobicContact CH2-CB 4.47Å; W545-L557 HydrophobicContact CH2-CD2 4.29Å; W545-L557 HydrophobicContact CZ3-CB 4.2Å; W545-L557 HydrophobicContact CZ3-CD2 3.6Å; W545-L557 HydrophobicContact CZ3-CG 4.48Å
546	I	87.3	Confident	86.6	Confident	24 Å²	24	67.3 Å²	67.3	12%	0.123	34%	0.341	C	S	.	.	H	α-helix	trans	-59	-38.5	-177.2	-71.1	163.8	0	0	0	112.6	L542 L543 K548 H549 T554 I590	L542-I546 WeakPolarHBondContact O-CD1 3.32Å; L542-I546 VanDerWaalsContact O-CG1 3.32Å; L542-I546 WeakPolarHBondContact O-CG1 3.4Å; L542-I546 PolarHBondContact O-N 2.94Å; L543-I546 PolarHBondContact O-N 2.8Å; I546-K548 PolarHBondContact O-N 3.18Å; I546-H549 PolarHBondContact O-N 2.96Å; I546-H549 VanDerWaalsContact O-O 3.13Å; I546-T554 HydrophobicContact CB-CG2 4.5Å; I546-T554 HydrophobicContact CD1-CG2 3.71Å; I546-T554 HydrophobicContact CG1-CG2 3.72Å; I546-T554 HydrophobicContact CG2-CG2 3.99Å; I546-I590 HydrophobicContact CD1-CB 3.9Å; I546-I590 HydrophobicContact CD1-CD1 4.2Å; I546-I590 HydrophobicContact CD1-CG1 3.54Å; I546-I590 HydrophobicContact CD1-CG2 3.46Å; I546-I590 VanDerWaalsContact CD1-CG2 3.46Å
547	Q	85.8	Confident	86.5	Confident	154 Å²	154	66.8 Å²	66.8	72%	0.72	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-9.9	175.8	-68.7	174.7	6.8	0	0	114.7	L543 W545	L543-Q547 WeakPolarHBondContact O-CG 3.21Å; L543-Q547 PolarHBondContact O-N 2.9Å; W545-Q547 VanDerWaalsContact C-N 3.3Å; W545-Q547 PolarHBondContact O-N 3.02Å
548	K	86.2	Confident	86.5	Confident	145 Å²	145	66.6 Å²	66.6	63%	0.63	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-0.1	-178.9	-60.9	164.7	-171.3	155.9	0	113.2	L544 W545 I546	L544-K548 WeakPolarHBondContact O-CE 3.41Å; L544-K548 PolarHBondContact O-NZ 2.72Å; W545-K548 PolarHBondContact O-N 2.85Å; I546-K548 PolarHBondContact O-N 3.18Å
549	H	88.1	Confident	86.5	Confident	71 Å²	71	70.1 Å²	70.1	33%	0.329	35%	0.351	S	S	.	.	S	Bend	trans	-126.6	164	-174.8	-80.4	-77.3	0	0	0	111.4	W545 I546 E553	W545-H549 AromaticContact CD2-CD2 3.52Å; W545-H549 AromaticContact CE2-CD2 3.27Å; W545-H549 AromaticContact CE2-CG 3.97Å; W545-H549 AromaticContact CE2-NE2 3.47Å; W545-H549 HydrophobicContact CE3-CB 4.17Å; W545-H549 AromaticContact CE3-CD2 3.91Å; W545-H549 HydrophobicContact CH2-CB 4.03Å; W545-H549 AromaticContact CH2-CD2 3.88Å; W545-H549 AromaticContact CH2-CG 3.72Å; W545-H549 AromaticContact CZ2-CD2 3.48Å; W545-H549 VanDerWaalsContact CZ2-CD2 3.48Å; W545-H549 WeakPolarHBondContact CZ2-CD2 3.36Å; W545-H549 AromaticContact CZ2-CE1 3.88Å; W545-H549 AromaticContact CZ2-CG 3.74Å; W545-H549 AromaticContact CZ2-ND1 3.97Å; W545-H549 AromaticContact CZ2-NE2 3.59Å; W545-H549 HydrophobicContact CZ3-CB 3.83Å; W545-H549 AromaticContact CZ3-CG 3.94Å; W545-H549 AromaticContact NE1-CD2 3.63Å; W545-H549 AromaticContact NE1-NE2 3.48Å; W545-H549 PolarHBondContact NE1-NE2 3.01Å; W545-H549 PolarHBondContact O-CD2 2.94Å; I546-H549 PolarHBondContact O-N 2.96Å; I546-H549 VanDerWaalsContact O-O 3.13Å; H549-E553 HydrophobicContact CB-CB 4.19Å; H549-E553 IonicContact CE1-OE1 2.79Å; H549-E553 IonicContact CG-OE1 3.99Å; H549-E553 IonicContact CG-OE2 3.96Å; H549-E553 VanDerWaalsContact ND1-CD 3.28Å; H549-E553 IonicContact ND1-OE1 3.46Å; H549-E553 PolarHBondContact ND1-OE1 3.34Å; H549-E553 IonicContact ND1-OE2 3.63Å; H549-E553 PolarHBondContact ND1-OE2 3.14Å
550	T	90.1	Very high	86.5	Confident	78 Å²	78	69.7 Å²	69.7	48%	0.479	35%	0.348	S	S	.	.			trans	-76.6	160.8	179.9	60.4	0	0	0	0	112.2	V552 E553 T554	T550-V552 PolarHBondContact O-N 3.46Å; T550-E553 WeakPolarHBondContact CB-OE2 3.5Å; T550-E553 WeakPolarHBondContact CG2-OE2 3.22Å; T550-E553 PolarHBondContact N-OE2 2.94Å; T550-E553 PolarHBondContact O-N 3.24Å; T550-E553 VanDerWaalsContact OG1-CG 3.31Å; T550-E553 WeakPolarHBondContact OG1-CG 3.38Å; T550-E553 PolarHBondContact OG1-N 3.47Å; T550-E553 PolarHBondContact OG1-OE2 2.91Å; T550-T554 WeakPolarHBondContact O-CB 3.25Å; T550-T554 PolarHBondContact O-N 3.43Å; T550-T554 PolarHBondContact O-OG1 2.66Å
551	E	86.1	Confident	86.6	Confident	112 Å²	112	66.2 Å²	66.2	52%	0.523	33%	0.331	S	S	.	.	H	α-helix	trans	-56	-38.3	172.4	-64.2	171.9	167.1	0	0	111.5	T554 V555 L594 L598	E551-T554 WeakPolarHBondContact O-CB 3.36Å; E551-T554 PolarHBondContact O-N 3.23Å; E551-V555 WeakPolarHBondContact O-CB 3.33Å; E551-V555 VanDerWaalsContact O-CG2 3.26Å; E551-V555 WeakPolarHBondContact O-CG2 3.45Å; E551-V555 PolarHBondContact O-N 2.56Å; E551-L594 HydrophobicContact CB-CD2 4.5Å; E551-L598 HydrophobicContact CB-CD1 4.32Å
552	V	87.2	Confident	86.7	Confident	115 Å²	115	63.4 Å²	63.4	70%	0.697	31%	0.314	S	S	*	.	H	α-helix	trans	-66.3	-43.8	178.7	-177.2	0	0	0	0	111.8	T550 T554 V555 D556	T550-V552 PolarHBondContact O-N 3.46Å; V552-T554 VanDerWaalsContact C-N 3.28Å; V552-T554 PolarHBondContact O-N 2.75Å; V552-V555 PolarHBondContact O-N 3.27Å; V552-D556 WeakPolarHBondContact O-CB 3.47Å; V552-D556 PolarHBondContact O-N 3.23Å
553	E	87.3	Confident	86.8	Confident	74 Å²	74	68.3 Å²	68.3	35%	0.346	34%	0.341	S	S	.	.	H	α-helix	trans	-64.9	-33.6	173.6	-71.6	166.2	111.2	0	0	111.9	W545 H549 T550 L557	W545-E553 HydrophobicContact CH2-CB 4.2Å; H549-E553 HydrophobicContact CB-CB 4.19Å; H549-E553 IonicContact CE1-OE1 2.79Å; H549-E553 IonicContact CG-OE1 3.99Å; H549-E553 IonicContact CG-OE2 3.96Å; H549-E553 VanDerWaalsContact ND1-CD 3.28Å; H549-E553 IonicContact ND1-OE1 3.46Å; H549-E553 PolarHBondContact ND1-OE1 3.34Å; H549-E553 IonicContact ND1-OE2 3.63Å; H549-E553 PolarHBondContact ND1-OE2 3.14Å; T550-E553 WeakPolarHBondContact CB-OE2 3.5Å; T550-E553 WeakPolarHBondContact CG2-OE2 3.22Å; T550-E553 PolarHBondContact N-OE2 2.94Å; T550-E553 PolarHBondContact O-N 3.24Å; T550-E553 VanDerWaalsContact OG1-CG 3.31Å; T550-E553 WeakPolarHBondContact OG1-CG 3.38Å; T550-E553 PolarHBondContact OG1-N 3.47Å; T550-E553 PolarHBondContact OG1-OE2 2.91Å; E553-L557 WeakPolarHBondContact O-CB 3.22Å; E553-L557 PolarHBondContact O-N 2.9Å
554	T	85.9	Confident	86.8	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.006	33%	0.334	C	S	.	.	H	α-helix	trans	-70.5	-42.8	176.7	-58	0	0	0	0	111.7	I546 T550 E551 V552 L557 V558 I590 L594	I546-T554 HydrophobicContact CB-CG2 4.5Å; I546-T554 HydrophobicContact CD1-CG2 3.71Å; I546-T554 HydrophobicContact CG1-CG2 3.72Å; I546-T554 HydrophobicContact CG2-CG2 3.99Å; T550-T554 WeakPolarHBondContact O-CB 3.25Å; T550-T554 PolarHBondContact O-N 3.43Å; T550-T554 PolarHBondContact O-OG1 2.66Å; E551-T554 WeakPolarHBondContact O-CB 3.36Å; E551-T554 PolarHBondContact O-N 3.23Å; V552-T554 VanDerWaalsContact C-N 3.28Å; V552-T554 PolarHBondContact O-N 2.75Å; T554-L557 WeakPolarHBondContact O-CB 3.36Å; T554-L557 PolarHBondContact O-N 3.2Å; T554-V558 WeakPolarHBondContact O-CG2 3.45Å; T554-V558 PolarHBondContact O-N 3.24Å; T554-I590 HydrophobicContact CG2-CG2 3.87Å; T554-L594 HydrophobicContact CG2-CD1 4.21Å; T554-L594 HydrophobicContact CG2-CD2 3.76Å; T554-L594 HydrophobicContact CG2-CG 4.1Å
555	V	86.8	Confident	86.8	Confident	36 Å²	36	65 Å²	65	22%	0.218	32%	0.321	C	S	.	.	H	α-helix	trans	-60.3	-46.1	172.6	166.4	0	0	0	0	110.9	E551 V552 L557 V558 L559 L594 L598 L602	E551-V555 WeakPolarHBondContact O-CB 3.33Å; E551-V555 VanDerWaalsContact O-CG2 3.26Å; E551-V555 WeakPolarHBondContact O-CG2 3.45Å; E551-V555 PolarHBondContact O-N 2.56Å; V552-V555 PolarHBondContact O-N 3.27Å; V555-L557 PolarHBondContact O-N 2.91Å; V555-V558 PolarHBondContact O-N 2.83Å; V555-L559 HydrophobicContact CG1-CD1 4.21Å; V555-L559 WeakPolarHBondContact O-CG 3.32Å; V555-L559 PolarHBondContact O-N 3.5Å; V555-L594 HydrophobicContact CG2-CD1 4.15Å; V555-L598 HydrophobicContact CG2-CD1 4.2Å; V555-L602 HydrophobicContact CG1-CD2 4.38Å; V555-L602 HydrophobicContact CG2-CD1 4.23Å
556	D	87.3	Confident	86.8	Confident	69 Å²	69	67.7 Å²	67.7	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-62.8	-38.8	175.3	169.1	57.5	0	0	0	112.3	V552 L559 K560	V552-D556 WeakPolarHBondContact O-CB 3.47Å; V552-D556 PolarHBondContact O-N 3.23Å; D556-L559 PolarHBondContact O-N 2.99Å; D556-K560 WeakPolarHBondContact O-CB 3.25Å; D556-K560 WeakPolarHBondContact O-CD 3.45Å; D556-K560 VanDerWaalsContact O-CG 3.29Å; D556-K560 WeakPolarHBondContact O-CG 3.36Å; D556-K560 PolarHBondContact O-N 3.48Å; D556-K560 WeakPolarHBondContact OD1-CE 3.22Å; D556-K560 IonicContact OD1-NZ 3.55Å; D556-K560 PolarHBondContact OD1-NZ 2.98Å; D556-K560 VanDerWaalsContact OD1-NZ 3.08Å; D556-K560 WeakPolarHBondContact OD2-CE 3.45Å; D556-K560 IonicContact OD2-NZ 3.08Å; D556-K560 PolarHBondContact OD2-NZ 2.74Å
557	L	87.4	Confident	86.6	Confident	17 Å²	17	69.3 Å²	69.3	9%	0.089	35%	0.346	C	S	.	.	H	α-helix	trans	-60.5	-48.5	171.2	179.3	62.5	0	0	0	111.5	W545 E553 T554 V555 L559 K560 L561	W545-L557 HydrophobicContact CD2-CD2 4.32Å; W545-L557 HydrophobicContact CE3-CD2 3.6Å; W545-L557 HydrophobicContact CH2-CB 4.47Å; W545-L557 HydrophobicContact CH2-CD2 4.29Å; W545-L557 HydrophobicContact CZ3-CB 4.2Å; W545-L557 HydrophobicContact CZ3-CD2 3.6Å; W545-L557 HydrophobicContact CZ3-CG 4.48Å; E553-L557 WeakPolarHBondContact O-CB 3.22Å; E553-L557 PolarHBondContact O-N 2.9Å; T554-L557 WeakPolarHBondContact O-CB 3.36Å; T554-L557 PolarHBondContact O-N 3.2Å; V555-L557 PolarHBondContact O-N 2.91Å; L557-L559 VanDerWaalsContact C-N 3.33Å; L557-L559 PolarHBondContact O-N 3.42Å; L557-K560 PolarHBondContact O-N 2.95Å; L557-L561 HydrophobicContact CD1-CD1 3.96Å; L557-L561 HydrophobicContact CD1-CD2 4.29Å; L557-L561 HydrophobicContact CD1-CG 3.92Å; L557-L561 HydrophobicContact CD2-CD1 4.48Å; L557-L561 HydrophobicContact CG-CD1 3.87Å; L557-L561 HydrophobicContact CG-CG 4.23Å; L557-L561 VanDerWaalsContact O-CG 3.3Å; L557-L561 WeakPolarHBondContact O-CG 3.48Å; L557-L561 PolarHBondContact O-N 3.08Å
558	V	86.9	Confident	86.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-57	-46.5	177	172.3	0	0	0	0	111.3	T554 V555 K560 L561 K562 I587 I590 I591 L602	T554-V558 WeakPolarHBondContact O-CG2 3.45Å; T554-V558 PolarHBondContact O-N 3.24Å; V555-V558 PolarHBondContact O-N 2.83Å; V558-K560 VanDerWaalsContact C-N 3.34Å; V558-K560 PolarHBondContact O-N 3.47Å; V558-L561 PolarHBondContact O-N 3.42Å; V558-K562 HydrophobicContact CG1-CD 4.22Å; V558-K562 HydrophobicContact CG1-CG 4.36Å; V558-K562 WeakPolarHBondContact O-CB 3.49Å; V558-K562 WeakPolarHBondContact O-CG 3.37Å; V558-K562 PolarHBondContact O-N 3.35Å; V558-I587 HydrophobicContact CG1-CG2 4.38Å; V558-I590 HydrophobicContact CG2-CB 4.3Å; V558-I590 HydrophobicContact CG2-CG2 3.3Å; V558-I591 HydrophobicContact CG1-CD1 4.06Å; V558-I591 HydrophobicContact CG1-CG1 4.05Å; V558-I591 HydrophobicContact CG2-CG1 4.23Å; V558-L602 HydrophobicContact CB-CD1 4.35Å; V558-L602 HydrophobicContact CB-CD2 4.39Å; V558-L602 HydrophobicContact CG1-CD1 4.2Å; V558-L602 HydrophobicContact CG1-CD2 3.94Å; V558-L602 HydrophobicContact CG2-CD1 4.37Å
559	L	87.6	Confident	86.1	Confident	79 Å²	79	58.5 Å²	58.5	41%	0.414	30%	0.3	S	S	.	.	H	α-helix	trans	-62.6	-40.6	178.6	-67.6	172.3	0	0	0	111.7	V555 D556 L557 N563 L602	V555-L559 HydrophobicContact CG1-CD1 4.21Å; V555-L559 WeakPolarHBondContact O-CG 3.32Å; V555-L559 PolarHBondContact O-N 3.5Å; D556-L559 PolarHBondContact O-N 2.99Å; L557-L559 VanDerWaalsContact C-N 3.33Å; L557-L559 PolarHBondContact O-N 3.42Å; L559-N563 VanDerWaalsContact O-CB 3.27Å; L559-N563 WeakPolarHBondContact O-CB 3.43Å; L559-N563 PolarHBondContact O-N 3.29Å; L559-L602 HydrophobicContact CD2-CD2 4.21Å; L559-L602 HydrophobicContact CG-CD2 4.4Å
560	K	87.2	Confident	85.7	Confident	107 Å²	107	63.4 Å²	63.4	47%	0.465	32%	0.316	S	S	.	.	H	α-helix	trans	-65.6	-40.2	174.7	-76.4	165.7	175.4	165.2	0	112.8	D556 L557 V558 K564	D556-K560 WeakPolarHBondContact O-CB 3.25Å; D556-K560 WeakPolarHBondContact O-CD 3.45Å; D556-K560 VanDerWaalsContact O-CG 3.29Å; D556-K560 WeakPolarHBondContact O-CG 3.36Å; D556-K560 PolarHBondContact O-N 3.48Å; D556-K560 WeakPolarHBondContact OD1-CE 3.22Å; D556-K560 IonicContact OD1-NZ 3.55Å; D556-K560 PolarHBondContact OD1-NZ 2.98Å; D556-K560 VanDerWaalsContact OD1-NZ 3.08Å; D556-K560 WeakPolarHBondContact OD2-CE 3.45Å; D556-K560 IonicContact OD2-NZ 3.08Å; D556-K560 PolarHBondContact OD2-NZ 2.74Å; L557-K560 PolarHBondContact O-N 2.95Å; V558-K560 VanDerWaalsContact C-N 3.34Å; V558-K560 PolarHBondContact O-N 3.47Å; K560-K564 WeakPolarHBondContact O-CB 3.36Å; K560-K564 WeakPolarHBondContact O-CG 3.46Å; K560-K564 PolarHBondContact O-N 3.33Å
561	L	87.6	Confident	85	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-70.6	-43.3	178.1	-66	175.8	0	0	0	111.5	L542 L557 V558 N563 K564 L565 L583 I587 I590	L542-L561 HydrophobicContact CD1-CD1 3.93Å; L557-L561 HydrophobicContact CD1-CD1 3.96Å; L557-L561 HydrophobicContact CD1-CD2 4.29Å; L557-L561 HydrophobicContact CD1-CG 3.92Å; L557-L561 HydrophobicContact CD2-CD1 4.48Å; L557-L561 HydrophobicContact CG-CD1 3.87Å; L557-L561 HydrophobicContact CG-CG 4.23Å; L557-L561 VanDerWaalsContact O-CG 3.3Å; L557-L561 WeakPolarHBondContact O-CG 3.48Å; L557-L561 PolarHBondContact O-N 3.08Å; V558-L561 PolarHBondContact O-N 3.42Å; L561-N563 PolarHBondContact O-N 2.74Å; L561-K564 PolarHBondContact O-N 3.48Å; L561-L565 WeakPolarHBondContact O-CB 3.5Å; L561-L565 PolarHBondContact O-N 2.76Å; L561-L583 HydrophobicContact CB-CD1 4.3Å; L561-L583 HydrophobicContact CD2-CD1 4.01Å; L561-I587 HydrophobicContact CB-CD1 3.82Å; L561-I587 HydrophobicContact CB-CG1 3.69Å; L561-I587 HydrophobicContact CD1-CG1 4.25Å; L561-I590 HydrophobicContact CD1-CD1 3.93Å
562	K	86.9	Confident	84.6	Confident	37 Å²	37	61.5 Å²	61.5	16%	0.161	30%	0.301	C	S	.	.	H	α-helix	trans	-60.8	-42.4	172.9	-73.3	-168.9	177.9	-166	0	112	V558 L565 L566 I587 L602	V558-K562 HydrophobicContact CG1-CD 4.22Å; V558-K562 HydrophobicContact CG1-CG 4.36Å; V558-K562 WeakPolarHBondContact O-CB 3.49Å; V558-K562 WeakPolarHBondContact O-CG 3.37Å; V558-K562 PolarHBondContact O-N 3.35Å; K562-L565 WeakPolarHBondContact O-CB 3.44Å; K562-L565 PolarHBondContact O-N 3.29Å; K562-L566 WeakPolarHBondContact O-CG 3.43Å; K562-L566 PolarHBondContact O-N 2.99Å; K562-I587 HydrophobicContact CD-CG2 4.38Å; K562-I587 VanDerWaalsContact CE-CG2 3.48Å; K562-I587 HydrophobicContact CG-CD1 4.15Å; K562-I587 HydrophobicContact CG-CG2 3.95Å; K562-L602 PolarHBondContact NZ-O 3.46Å
563	N	86.8	Confident	84.3	Confident	109 Å²	109	56.9 Å²	56.9	58%	0.583	27%	0.273	S	S	*	.	H	α-helix	trans	-63.9	-42.8	175.2	-169.2	-0.3	0	0	0	111.9	L559 L561 L565 L566 Q567	L559-N563 VanDerWaalsContact O-CB 3.27Å; L559-N563 WeakPolarHBondContact O-CB 3.43Å; L559-N563 PolarHBondContact O-N 3.29Å; L561-N563 PolarHBondContact O-N 2.74Å; N563-L565 PolarHBondContact O-N 3.2Å; N563-L566 PolarHBondContact O-N 2.82Å; N563-Q567 WeakPolarHBondContact O-CB 3.33Å; N563-Q567 PolarHBondContact O-N 2.89Å
564	K	84.6	Confident	84.1	Confident	62 Å²	62	56.7 Å²	56.7	27%	0.27	28%	0.278	S	S	.	.	H	α-helix	trans	-62.1	-40	173.8	-79.5	179.5	177	-178.8	0	112.9	H533 L534 L537 K560 L561 Q567 A568	H533-K564 PolarHBondContact NE2-NZ 2.84Å; L534-K564 HydrophobicContact CD1-CB 3.9Å; L534-K564 HydrophobicContact CD1-CD 4.11Å; L537-K564 HydrophobicContact CD1-CD 4.22Å; K560-K564 WeakPolarHBondContact O-CB 3.36Å; K560-K564 WeakPolarHBondContact O-CG 3.46Å; K560-K564 PolarHBondContact O-N 3.33Å; L561-K564 PolarHBondContact O-N 3.48Å; K564-Q567 PolarHBondContact O-N 3.12Å; K564-A568 VanDerWaalsContact O-CB 3.25Å; K564-A568 WeakPolarHBondContact O-CB 3.28Å; K564-A568 PolarHBondContact O-N 3.15Å
565	L	85.3	Confident	84.1	Confident	21 Å²	21	58.2 Å²	58.2	11%	0.11	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-50.7	174.9	-175.3	76.3	0	0	0	110.7	L561 K562 N563 Q567 A568 D569 M580 L583 R584 I587	L561-L565 WeakPolarHBondContact O-CB 3.5Å; L561-L565 PolarHBondContact O-N 2.76Å; K562-L565 WeakPolarHBondContact O-CB 3.44Å; K562-L565 PolarHBondContact O-N 3.29Å; N563-L565 PolarHBondContact O-N 3.2Å; L565-Q567 VanDerWaalsContact C-N 3.34Å; L565-Q567 PolarHBondContact O-N 2.76Å; L565-A568 PolarHBondContact O-N 3.1Å; L565-A568 VanDerWaalsContact O-N 3.15Å; L565-D569 PolarHBondContact O-N 2.93Å; L565-M580 HydrophobicContact CD1-CE 3.6Å; L565-M580 HydrophobicContact CD1-SD 4.11Å; L565-M580 HydrophobicContact CG-CE 4.35Å; L565-L583 HydrophobicContact CB-CD2 4.1Å; L565-L583 HydrophobicContact CD1-CB 4.44Å; L565-L583 HydrophobicContact CD1-CD2 3.84Å; L565-L583 HydrophobicContact CD1-CG 4.19Å; L565-R584 HydrophobicContact CD1-CG 3.92Å; L565-R584 HydrophobicContact CD2-CG 3.61Å; L565-R584 HydrophobicContact CG-CG 4.43Å; L565-I587 HydrophobicContact CD2-CD1 4.4Å
566	L	84.8	Confident	84	Confident	110 Å²	110	61.4 Å²	61.4	58%	0.576	30%	0.298	S	S	*	.	H	α-helix	trans	-61.4	-38.6	176.6	-70	170.6	0	0	0	112.6	K562 N563 R570	K562-L566 WeakPolarHBondContact O-CG 3.43Å; K562-L566 PolarHBondContact O-N 2.99Å; N563-L566 PolarHBondContact O-N 2.82Å; L566-R570 WeakPolarHBondContact O-CB 3.1Å; L566-R570 PolarHBondContact O-N 2.89Å
567	Q	83.3	Confident	83.6	Confident	58 Å²	58	63.5 Å²	63.5	27%	0.271	32%	0.315	S	S	.	.	H	α-helix	trans	-66	-42.1	174.2	-167.6	-171.9	-6.2	0	0	111.2	N563 K564 L565 R570 E571	N563-Q567 WeakPolarHBondContact O-CB 3.33Å; N563-Q567 PolarHBondContact O-N 2.89Å; K564-Q567 PolarHBondContact O-N 3.12Å; L565-Q567 VanDerWaalsContact C-N 3.34Å; L565-Q567 PolarHBondContact O-N 2.76Å; Q567-R570 PolarHBondContact O-N 2.89Å; Q567-E571 HydrophobicContact CG-CG 4.37Å; Q567-E571 VanDerWaalsContact CG-OE1 3.26Å; Q567-E571 WeakPolarHBondContact CG-OE1 3.45Å; Q567-E571 PolarHBondContact NE2-OE1 2.59Å; Q567-E571 VanDerWaalsContact NE2-OE1 3.15Å; Q567-E571 WeakPolarHBondContact O-CB 3.29Å; Q567-E571 PolarHBondContact O-N 3.08Å
568	A	83.1	Confident	83.5	Confident	4 Å²	4	67.4 Å²	67.4	3%	0.033	34%	0.336	C	S	.	.	H	α-helix	trans	-66.7	-43.2	-179.4	0	0	0	0	0	112.6	L534 K564 L565 H572 L573 M580	L534-A568 HydrophobicContact CD2-CB 3.87Å; K564-A568 VanDerWaalsContact O-CB 3.25Å; K564-A568 WeakPolarHBondContact O-CB 3.28Å; K564-A568 PolarHBondContact O-N 3.15Å; L565-A568 PolarHBondContact O-N 3.1Å; L565-A568 VanDerWaalsContact O-N 3.15Å; A568-H572 WeakPolarHBondContact O-CA 3.42Å; A568-H572 PolarHBondContact O-N 2.86Å; A568-L573 HydrophobicContact CB-CB 4.49Å; A568-L573 HydrophobicContact CB-CD1 3.85Å; A568-L573 HydrophobicContact CB-CG 4.3Å; A568-L573 PolarHBondContact O-N 2.7Å; A568-M580 HydrophobicContact CB-CE 3.68Å; A568-M580 HydrophobicContact CB-SD 3.76Å
569	D	78.8	Confident	83.5	Confident	68 Å²	68	67.5 Å²	67.5	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-48.5	171.9	-79.9	-41.3	0	0	0	110.6	L565 E571 H572 M580 R584	L565-D569 PolarHBondContact O-N 2.93Å; D569-E571 PolarHBondContact O-N 3.41Å; D569-H572 PolarHBondContact O-CE1 2.92Å; D569-H572 PolarHBondContact O-N 2.88Å; D569-H572 PolarHBondContact O-ND1 3.04Å; D569-H572 VanDerWaalsContact O-ND1 3.14Å; D569-M580 HydrophobicContact CB-CE 4.27Å; D569-M580 WeakPolarHBondContact OD1-CE 3.26Å; D569-R584 IonicContact OD1-NH2 3.56Å; D569-R584 PolarHBondContact OD1-NH2 3.47Å; D569-R584 IonicContact OD2-CZ 3.39Å; D569-R584 IonicContact OD2-NH2 2.85Å; D569-R584 PolarHBondContact OD2-NH2 2.82Å
570	R	78.8	Confident	83.4	Confident	173 Å²	173	64.8 Å²	64.8	65%	0.653	32%	0.322	S	S	*	.	H	α-helix	trans	-60.7	-45.8	179	-176.2	-173.7	72.7	-168.9	1.3	112.8	L566 Q567 H572	L566-R570 WeakPolarHBondContact O-CB 3.1Å; L566-R570 PolarHBondContact O-N 2.89Å; Q567-R570 PolarHBondContact O-N 2.89Å; R570-H572 VanDerWaalsContact C-N 3.34Å; R570-H572 PolarHBondContact O-ND1 2.74Å
571	E	76.3	Confident	83.3	Confident	56 Å²	56	66.2 Å²	66.2	26%	0.262	33%	0.331	S	S	.	.	H	α-helix	trans	-92.4	2.3	-173.8	-62.2	-171.2	-139.6	0	0	113.5	Q527 Q567 D569 L573	Q527-E571 PolarHBondContact NE2-O 2.88Å; Q527-E571 VanDerWaalsContact NE2-O 3.1Å; Q567-E571 HydrophobicContact CG-CG 4.37Å; Q567-E571 VanDerWaalsContact CG-OE1 3.26Å; Q567-E571 WeakPolarHBondContact CG-OE1 3.45Å; Q567-E571 PolarHBondContact NE2-OE1 2.59Å; Q567-E571 VanDerWaalsContact NE2-OE1 3.15Å; Q567-E571 WeakPolarHBondContact O-CB 3.29Å; Q567-E571 PolarHBondContact O-N 3.08Å; D569-E571 PolarHBondContact O-N 3.41Å; E571-L573 VanDerWaalsContact C-N 3.3Å; E571-L573 HydrophobicContact CB-CD2 4.28Å; E571-L573 PolarHBondContact O-N 2.84Å
572	H	75.9	Confident	83.4	Confident	95 Å²	95	69.8 Å²	69.8	44%	0.44	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	45.6	174.6	-63.3	63.7	0	0	0	112.4	K137 A568 D569 R570	K137-H572 PolarHBondContact NZ-O 2.91Å; A568-H572 WeakPolarHBondContact O-CA 3.42Å; A568-H572 PolarHBondContact O-N 2.86Å; D569-H572 PolarHBondContact O-CE1 2.92Å; D569-H572 PolarHBondContact O-N 2.88Å; D569-H572 PolarHBondContact O-ND1 3.04Å; D569-H572 VanDerWaalsContact O-ND1 3.14Å; R570-H572 VanDerWaalsContact C-N 3.34Å; R570-H572 PolarHBondContact O-ND1 2.74Å
573	L	81.9	Confident	83.4	Confident	18 Å²	18	68.1 Å²	68.1	9%	0.094	34%	0.339	C	S	.	.			trans	-57.2	146.2	-171.4	-68.5	-176.3	0	0	0	112.4	Q527 E530 A531 A568 E571 V575	Q527-L573 HydrophobicContact CB-CD2 3.63Å; Q527-L573 HydrophobicContact CG-CD2 3.79Å; E530-L573 HydrophobicContact CB-CD1 4.05Å; A531-L573 HydrophobicContact CB-CB 4.47Å; A568-L573 HydrophobicContact CB-CB 4.49Å; A568-L573 HydrophobicContact CB-CD1 3.85Å; A568-L573 HydrophobicContact CB-CG 4.3Å; A568-L573 PolarHBondContact O-N 2.7Å; E571-L573 VanDerWaalsContact C-N 3.3Å; E571-L573 HydrophobicContact CB-CD2 4.28Å; E571-L573 PolarHBondContact O-N 2.84Å; L573-V575 HydrophobicContact CB-CG1 4.43Å; L573-V575 PolarHBondContact O-N 3.09Å
574	P	83.6	Confident	83.5	Confident	69 Å²	69	68.2 Å²	68.2	45%	0.448	33%	0.331	S	S	.	.			trans	-82.3	61.1	-177.4	35.9	-37.8	0	0	0	112.1	K528 A531	K528-P574 HydrophobicContact CB-CG 4.41Å; A531-P574 HydrophobicContact CB-CG 4.14Å
575	V	84.6	Confident	83.7	Confident	34 Å²	34	69.4 Å²	69.4	21%	0.206	34%	0.344	C	S	.	.			trans	-85.1	161.6	173.6	-67	0	0	0	0	111.8	A531 L534 L573 T579 M580	A531-V575 HydrophobicContact CB-CG1 3.59Å; L534-V575 HydrophobicContact CD2-CG1 4.28Å; L573-V575 HydrophobicContact CB-CG1 4.43Å; L573-V575 PolarHBondContact O-N 3.09Å; V575-T579 HydrophobicContact CB-CG2 4.38Å; V575-T579 HydrophobicContact CG1-CG2 4.47Å; V575-M580 HydrophobicContact CG2-CG 3.92Å; V575-M580 HydrophobicContact CG2-SD 4.31Å
576	K	84.9	Confident	83.9	Confident	103 Å²	103	71 Å²	71	45%	0.448	35%	0.351	S	S	.	.			trans	-56.6	149.8	162.6	-67.2	155.6	-176.4	150.9	0	111.1	E535 D578 T579	E535-K576 HydrophobicContact CG-CD 4.34Å; E535-K576 WeakPolarHBondContact OE1-CG 3.49Å; E535-K576 PolarHBondContact OE1-N 3.08Å; E535-K576 VanDerWaalsContact OE1-N 3.11Å; E535-K576 WeakPolarHBondContact OE2-CE 3.34Å; E535-K576 IonicContact OE2-NZ 2.7Å; E535-K576 PolarHBondContact OE2-NZ 3.26Å; K576-D578 PolarHBondContact O-N 2.92Å; K576-T579 WeakPolarHBondContact O-CB 3.25Å; K576-T579 PolarHBondContact O-N 3.08Å
577	P	78.8	Confident	84.1	Confident	113 Å²	113	66 Å²	66	73%	0.734	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-50.4	-177.1	19.5	-31.5	0	0	0	112.8	T579	P577-T579 PolarHBondContact O-N 3.21Å
578	D	85.9	Confident	84.3	Confident	98 Å²	98	67 Å²	67	52%	0.524	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-16.5	-172.8	-27.6	-36.1	0	0	0	113.4	K576 M580 E581 K582	K576-D578 PolarHBondContact O-N 2.92Å; D578-M580 VanDerWaalsContact C-N 3.33Å; D578-M580 PolarHBondContact O-N 3.21Å; D578-E581 PolarHBondContact O-N 3.47Å; D578-K582 WeakPolarHBondContact O-CB 3.37Å; D578-K582 WeakPolarHBondContact O-CG 3.14Å; D578-K582 PolarHBondContact O-N 3.27Å
579	T	86	Confident	84.6	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.012	35%	0.345	C	S	.	.	H	α-helix	trans	-63.3	-36.6	-173.4	-64.5	0	0	0	0	112.6	E535 C538 V575 K576 P577 L583	E535-T579 HydrophobicContact CG-CG2 3.98Å; C538-T579 HydrophobicContact CB-CG2 4.28Å; V575-T579 HydrophobicContact CB-CG2 4.38Å; V575-T579 HydrophobicContact CG1-CG2 4.47Å; K576-T579 WeakPolarHBondContact O-CB 3.25Å; K576-T579 PolarHBondContact O-N 3.08Å; P577-T579 PolarHBondContact O-N 3.21Å; T579-L583 VanDerWaalsContact O-CB 3.29Å; T579-L583 WeakPolarHBondContact O-CB 3.41Å; T579-L583 PolarHBondContact O-N 2.97Å
580	M	85.9	Confident	85.1	Confident	23 Å²	23	65.4 Å²	65.4	11%	0.113	33%	0.327	C	S	.	.	H	α-helix	trans	-72.2	-31.6	178.6	-64.4	-64.5	-79	0	0	112.1	L534 L565 A568 D569 V575 D578 R584	L534-M580 HydrophobicContact CD2-SD 4.04Å; L565-M580 HydrophobicContact CD1-CE 3.6Å; L565-M580 HydrophobicContact CD1-SD 4.11Å; L565-M580 HydrophobicContact CG-CE 4.35Å; A568-M580 HydrophobicContact CB-CE 3.68Å; A568-M580 HydrophobicContact CB-SD 3.76Å; D569-M580 HydrophobicContact CB-CE 4.27Å; D569-M580 WeakPolarHBondContact OD1-CE 3.26Å; V575-M580 HydrophobicContact CG2-CG 3.92Å; V575-M580 HydrophobicContact CG2-SD 4.31Å; D578-M580 VanDerWaalsContact C-N 3.33Å; D578-M580 PolarHBondContact O-N 3.21Å; M580-R584 WeakPolarHBondContact O-CD 3.36Å; M580-R584 VanDerWaalsContact O-CG 3.3Å; M580-R584 WeakPolarHBondContact O-CG 3.2Å; M580-R584 PolarHBondContact O-N 3.43Å
581	E	86.5	Confident	85.5	Confident	137 Å²	137	57.2 Å²	57.2	64%	0.64	30%	0.297	S	S	*	.	H	α-helix	trans	-75.9	-48.8	176.1	-170.2	172.2	175.4	0	0	111	D578 L583 R584 T585	D578-E581 PolarHBondContact O-N 3.47Å; E581-L583 PolarHBondContact O-N 3.24Å; E581-R584 PolarHBondContact O-N 2.91Å; E581-T585 PolarHBondContact O-N 3.46Å; E581-T585 PolarHBondContact O-OG1 2.8Å
582	K	88.2	Confident	86.1	Confident	76 Å²	76	60.6 Å²	60.6	33%	0.33	32%	0.316	S	S	.	.	H	α-helix	trans	-48.3	-47.6	170	-76.3	-172.4	-180	-165.6	0	111.7	C538 E539 D578 R584 T585 H586	C538-K582 HydrophobicContact CB-CB 4.45Å; E539-K582 VanDerWaalsContact CD-NZ 3.33Å; E539-K582 IonicContact OE1-NZ 2.62Å; E539-K582 PolarHBondContact OE1-NZ 2.89Å; E539-K582 IonicContact OE2-NZ 3.97Å; E539-K582 PolarHBondContact OE2-NZ 3.23Å; D578-K582 WeakPolarHBondContact O-CB 3.37Å; D578-K582 WeakPolarHBondContact O-CG 3.14Å; D578-K582 PolarHBondContact O-N 3.27Å; K582-R584 PolarHBondContact O-N 2.96Å; K582-T585 PolarHBondContact O-N 2.72Å; K582-H586 WeakPolarHBondContact O-CB 3.27Å; K582-H586 PolarHBondContact O-CD2 2.82Å; K582-H586 VanDerWaalsContact O-CG 3.32Å; K582-H586 PolarHBondContact O-N 2.81Å
583	L	87.6	Confident	86.6	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-63.3	-38.7	-179.8	-178.4	57.2	0	0	0	112.8	L534 L561 L565 T579 E581 I587	L534-L583 HydrophobicContact CD1-CD2 3.76Å; L534-L583 HydrophobicContact CD2-CD2 4.06Å; L534-L583 HydrophobicContact CG-CD2 4.09Å; L561-L583 HydrophobicContact CB-CD1 4.3Å; L561-L583 HydrophobicContact CD2-CD1 4.01Å; L565-L583 HydrophobicContact CB-CD2 4.1Å; L565-L583 HydrophobicContact CD1-CB 4.44Å; L565-L583 HydrophobicContact CD1-CD2 3.84Å; L565-L583 HydrophobicContact CD1-CG 4.19Å; T579-L583 VanDerWaalsContact O-CB 3.29Å; T579-L583 WeakPolarHBondContact O-CB 3.41Å; T579-L583 PolarHBondContact O-N 2.97Å; E581-L583 PolarHBondContact O-N 3.24Å; L583-I587 HydrophobicContact CD1-CD1 4.16Å; L583-I587 HydrophobicContact CD1-CG1 4.4Å; L583-I587 HydrophobicContact CG-CD1 4.04Å; L583-I587 WeakPolarHBondContact O-CB 3.44Å; L583-I587 WeakPolarHBondContact O-CD1 3.38Å; L583-I587 WeakPolarHBondContact O-CG1 3.31Å; L583-I587 PolarHBondContact O-N 3.43Å
584	R	89.1	Confident	86.8	Confident	112 Å²	112	58.8 Å²	58.8	42%	0.423	32%	0.318	S	S	.	.	H	α-helix	trans	-65.5	-51.8	175.1	-72.1	166.6	-174.8	176.2	4.2	110.4	L565 D569 M580 E581 K582 H586 I587 D588	L565-R584 HydrophobicContact CD1-CG 3.92Å; L565-R584 HydrophobicContact CD2-CG 3.61Å; L565-R584 HydrophobicContact CG-CG 4.43Å; D569-R584 IonicContact OD1-NH2 3.56Å; D569-R584 PolarHBondContact OD1-NH2 3.47Å; D569-R584 IonicContact OD2-CZ 3.39Å; D569-R584 IonicContact OD2-NH2 2.85Å; D569-R584 PolarHBondContact OD2-NH2 2.82Å; M580-R584 WeakPolarHBondContact O-CD 3.36Å; M580-R584 VanDerWaalsContact O-CG 3.3Å; M580-R584 WeakPolarHBondContact O-CG 3.2Å; M580-R584 PolarHBondContact O-N 3.43Å; E581-R584 PolarHBondContact O-N 2.91Å; K582-R584 PolarHBondContact O-N 2.96Å; R584-H586 VanDerWaalsContact C-N 3.27Å; R584-H586 PolarHBondContact O-N 2.99Å; R584-I587 WeakPolarHBondContact O-CB 3.33Å; R584-I587 PolarHBondContact O-N 3.26Å; R584-D588 PolarHBondContact O-N 3.24Å
585	T	88.9	Confident	87	Confident	86 Å²	86	57.7 Å²	57.7	53%	0.528	31%	0.311	S	S	.	.	H	α-helix	trans	-56	-39.7	175.6	-52.8	0	0	0	0	112.6	E581 K582 A589	E581-T585 PolarHBondContact O-N 3.46Å; E581-T585 PolarHBondContact O-OG1 2.8Å; K582-T585 PolarHBondContact O-N 2.72Å; T585-A589 VanDerWaalsContact O-CB 3.3Å; T585-A589 WeakPolarHBondContact O-CB 3.37Å; T585-A589 PolarHBondContact O-N 3.28Å
586	H	88.9	Confident	86.9	Confident	56 Å²	56	64 Å²	64	26%	0.259	34%	0.339	S	S	.	.	H	α-helix	trans	-64.6	-48.3	174	-78.6	-155.3	0	0	0	111.6	C538 L542 K582 R584 D588 A589 I590	C538-H586 PolarHBondContact O-CE1 3.49Å; L542-H586 HydrophobicContact CD1-CB 4.09Å; K582-H586 WeakPolarHBondContact O-CB 3.27Å; K582-H586 PolarHBondContact O-CD2 2.82Å; K582-H586 VanDerWaalsContact O-CG 3.32Å; K582-H586 PolarHBondContact O-N 2.81Å; R584-H586 VanDerWaalsContact C-N 3.27Å; R584-H586 PolarHBondContact O-N 2.99Å; H586-D588 VanDerWaalsContact C-N 3.29Å; H586-D588 PolarHBondContact O-N 2.88Å; H586-A589 PolarHBondContact O-N 3.11Å; H586-I590 WeakPolarHBondContact O-CB 3.48Å; H586-I590 WeakPolarHBondContact O-CD1 3.35Å; H586-I590 WeakPolarHBondContact O-CG1 3.42Å; H586-I590 PolarHBondContact O-N 3.44Å
587	I	88.5	Confident	86.7	Confident	3 Å²	3	64.5 Å²	64.5	2%	0.015	35%	0.346	C	S	.	.	H	α-helix	trans	-57.1	-43.5	177.2	-73.2	162.6	0	0	0	111.1	V558 L561 K562 L565 L583 R584 I590 I591	V558-I587 HydrophobicContact CG1-CG2 4.38Å; L561-I587 HydrophobicContact CB-CD1 3.82Å; L561-I587 HydrophobicContact CB-CG1 3.69Å; L561-I587 HydrophobicContact CD1-CG1 4.25Å; K562-I587 HydrophobicContact CD-CG2 4.38Å; K562-I587 VanDerWaalsContact CE-CG2 3.48Å; K562-I587 HydrophobicContact CG-CD1 4.15Å; K562-I587 HydrophobicContact CG-CG2 3.95Å; L565-I587 HydrophobicContact CD2-CD1 4.4Å; L583-I587 HydrophobicContact CD1-CD1 4.16Å; L583-I587 HydrophobicContact CD1-CG1 4.4Å; L583-I587 HydrophobicContact CG-CD1 4.04Å; L583-I587 WeakPolarHBondContact O-CB 3.44Å; L583-I587 WeakPolarHBondContact O-CD1 3.38Å; L583-I587 WeakPolarHBondContact O-CG1 3.31Å; L583-I587 PolarHBondContact O-N 3.43Å; R584-I587 WeakPolarHBondContact O-CB 3.33Å; R584-I587 PolarHBondContact O-N 3.26Å; I587-I590 PolarHBondContact O-N 2.91Å; I587-I591 HydrophobicContact CG2-CD1 3.92Å; I587-I591 VanDerWaalsContact O-CG1 3.31Å; I587-I591 WeakPolarHBondContact O-CG1 3.24Å; I587-I591 PolarHBondContact O-N 2.91Å
588	D	89.2	Confident	86.9	Confident	79 Å²	79	61 Å²	61	42%	0.422	32%	0.321	S	S	.	.	H	α-helix	trans	-71.7	-40.4	-177.5	-62.4	-31.1	0	0	0	111.7	R584 H586 I590 I591 L592	R584-D588 PolarHBondContact O-N 3.24Å; H586-D588 VanDerWaalsContact C-N 3.29Å; H586-D588 PolarHBondContact O-N 2.88Å; D588-I590 VanDerWaalsContact C-N 3.31Å; D588-I590 PolarHBondContact O-N 2.85Å; D588-I591 PolarHBondContact O-N 3.35Å; D588-L592 WeakPolarHBondContact O-CG 3.5Å; D588-L592 PolarHBondContact O-N 2.93Å
589	A	89.1	Confident	86.7	Confident	38 Å²	38	58.2 Å²	58.2	31%	0.314	31%	0.305	S	S	.	.	H	α-helix	trans	-62.5	-36.1	172.9	0	0	0	0	0	112.8	L543 T585 H586 A593	L543-A589 HydrophobicContact CD2-CB 4.45Å; T585-A589 VanDerWaalsContact O-CB 3.3Å; T585-A589 WeakPolarHBondContact O-CB 3.37Å; T585-A589 PolarHBondContact O-N 3.28Å; H586-A589 PolarHBondContact O-N 3.11Å; A589-A593 PolarHBondContact O-N 2.95Å
590	I	88.2	Confident	86.2	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-65.9	-43.5	173.8	-69.2	169.7	0	0	0	111	L542 L543 I546 T554 V558 L561 H586 I587 D588 A593	L542-I590 HydrophobicContact CB-CD1 3.85Å; L542-I590 HydrophobicContact CB-CG1 4.45Å; L542-I590 HydrophobicContact CD1-CD1 3.9Å; L543-I590 HydrophobicContact CD2-CG1 4.38Å; I546-I590 HydrophobicContact CD1-CB 3.9Å; I546-I590 HydrophobicContact CD1-CD1 4.2Å; I546-I590 HydrophobicContact CD1-CG1 3.54Å; I546-I590 HydrophobicContact CD1-CG2 3.46Å; I546-I590 VanDerWaalsContact CD1-CG2 3.46Å; T554-I590 HydrophobicContact CG2-CG2 3.87Å; V558-I590 HydrophobicContact CG2-CB 4.3Å; V558-I590 HydrophobicContact CG2-CG2 3.3Å; L561-I590 HydrophobicContact CD1-CD1 3.93Å; H586-I590 WeakPolarHBondContact O-CB 3.48Å; H586-I590 WeakPolarHBondContact O-CD1 3.35Å; H586-I590 WeakPolarHBondContact O-CG1 3.42Å; H586-I590 PolarHBondContact O-N 3.44Å; I587-I590 PolarHBondContact O-N 2.91Å; D588-I590 VanDerWaalsContact C-N 3.31Å; D588-I590 PolarHBondContact O-N 2.85Å; I590-A593 PolarHBondContact O-N 3.11Å
591	I	87.8	Confident	85.9	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-62.8	-45.6	178	-70.5	166	0	0	0	110.2	V558 I587 D588 A593 L594 Q599 L602 L603	V558-I591 HydrophobicContact CG1-CD1 4.06Å; V558-I591 HydrophobicContact CG1-CG1 4.05Å; V558-I591 HydrophobicContact CG2-CG1 4.23Å; I587-I591 HydrophobicContact CG2-CD1 3.92Å; I587-I591 VanDerWaalsContact O-CG1 3.31Å; I587-I591 WeakPolarHBondContact O-CG1 3.24Å; I587-I591 PolarHBondContact O-N 2.91Å; D588-I591 PolarHBondContact O-N 3.35Å; I591-A593 PolarHBondContact O-N 3.05Å; I591-A593 VanDerWaalsContact O-N 3.12Å; I591-L594 WeakPolarHBondContact O-CB 3.24Å; I591-L594 PolarHBondContact O-N 2.8Å; I591-Q599 HydrophobicContact CG2-CB 4.23Å; I591-Q599 HydrophobicContact CG2-CG 4.07Å; I591-Q599 VanDerWaalsContact O-CG 3.28Å; I591-Q599 WeakPolarHBondContact O-CG 3.35Å; I591-L602 HydrophobicContact CD1-CB 4.31Å; I591-L602 HydrophobicContact CG1-CB 4.29Å; I591-L602 HydrophobicContact CG1-CD1 4.3Å; I591-L603 HydrophobicContact CD1-CD2 4.4Å; I591-L603 HydrophobicContact CG2-CD2 4.13Å; I591-L603 HydrophobicContact CG2-CG 4.1Å
592	L	87.9	Confident	85.6	Confident	127 Å²	127	57.3 Å²	57.3	67%	0.665	31%	0.311	S	S	*	.	H	α-helix	trans	-62.5	-17.8	177.9	-69.8	170.5	0	0	0	114.1	D588 Q599	D588-L592 WeakPolarHBondContact O-CG 3.5Å; D588-L592 PolarHBondContact O-N 2.93Å; L592-Q599 PolarHBondContact O-NE2 3.28Å
593	A	86.4	Confident	84.9	Confident	63 Å²	63	58.2 Å²	58.2	52%	0.521	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-7.5	175	0	0	0	0	0	114.1	A589 I590 I591	A589-A593 PolarHBondContact O-N 2.95Å; I590-A593 PolarHBondContact O-N 3.11Å; I591-A593 PolarHBondContact O-N 3.05Å; I591-A593 VanDerWaalsContact O-N 3.12Å
594	L	87.8	Confident	83.9	Confident	12 Å²	12	66.1 Å²	66.1	6%	0.063	35%	0.353	C	S	.	.	S	Bend	trans	-90	158.1	175.9	-73.1	172.4	0	0	0	112.3	E551 T554 V555 I591 L598 Q599 L602	E551-L594 HydrophobicContact CB-CD2 4.5Å; T554-L594 HydrophobicContact CG2-CD1 4.21Å; T554-L594 HydrophobicContact CG2-CD2 3.76Å; T554-L594 HydrophobicContact CG2-CG 4.1Å; V555-L594 HydrophobicContact CG2-CD1 4.15Å; I591-L594 WeakPolarHBondContact O-CB 3.24Å; I591-L594 PolarHBondContact O-N 2.8Å; L594-L598 HydrophobicContact CB-CB 4.43Å; L594-L598 HydrophobicContact CD2-CD1 4.45Å; L594-Q599 PolarHBondContact O-NE2 3.44Å; L594-L602 HydrophobicContact CD1-CD1 3.45Å; L594-L602 VanDerWaalsContact CD1-CD1 3.45Å
595	P	86.5	Confident	82.3	Confident	46 Å²	46	64.6 Å²	64.6	30%	0.299	36%	0.356	S	S	.	.			trans	-50.8	144.9	168	-30	37.3	0	0	0	114.6	D597 L598 Q599	P595-D597 VanDerWaalsContact C-N 3.27Å; P595-D597 WeakPolarHBondContact CB-OD1 3.3Å; P595-D597 PolarHBondContact O-N 3.14Å; P595-L598 PolarHBondContact O-N 3.36Å; P595-Q599 PolarHBondContact O-N 3.48Å
596	E	82	Confident	80.3	Confident	167 Å²	167	62.9 Å²	62.9	78%	0.78	36%	0.356	S	S	*	.	H	α-helix	trans	-58.3	-33.5	-172.1	-63.4	-173.5	161.8	0	0	114.1	L598 Q599 G600	E596-L598 VanDerWaalsContact C-N 3.35Å; E596-Q599 PolarHBondContact O-N 2.93Å; E596-G600 PolarHBondContact O-N 2.81Å; E596-G600 VanDerWaalsContact O-N 3.1Å
597	D	82.5	Confident	77.7	Confident	113 Å²	113	68.7 Å²	68.7	60%	0.604	39%	0.385	S	S	*	.	H	α-helix	trans	-67	-35.4	177.3	64.9	-50.3	0	0	0	112.1	P595	P595-D597 VanDerWaalsContact C-N 3.27Å; P595-D597 WeakPolarHBondContact CB-OD1 3.3Å; P595-D597 PolarHBondContact O-N 3.14Å
598	L	81.3	Confident	75	Confident	38 Å²	38	77 Å²	77	20%	0.199	44%	0.436	C	S	.	.	H	α-helix	trans	-76.6	-36.2	173	-59.1	-176.1	0	0	0	112.1	E551 V555 L594 P595 E596 G600 I601 L602	E551-L598 HydrophobicContact CB-CD1 4.32Å; V555-L598 HydrophobicContact CG2-CD1 4.2Å; L594-L598 HydrophobicContact CB-CB 4.43Å; L594-L598 HydrophobicContact CD2-CD1 4.45Å; P595-L598 PolarHBondContact O-N 3.36Å; E596-L598 VanDerWaalsContact C-N 3.35Å; L598-G600 PolarHBondContact O-N 2.76Å; L598-I601 PolarHBondContact O-N 2.8Å; L598-L602 PolarHBondContact O-N 2.9Å
599	Q	83.1	Confident	74.3	Confident	40 Å²	40	76.9 Å²	76.9	19%	0.187	44%	0.437	C	S	.	.	H	α-helix	trans	-56.8	-49.2	174.8	-66.2	-172.3	24.3	0	0	111.5	I591 L592 L594 P595 E596 I601 L602 L603	I591-Q599 HydrophobicContact CG2-CB 4.23Å; I591-Q599 HydrophobicContact CG2-CG 4.07Å; I591-Q599 VanDerWaalsContact O-CG 3.28Å; I591-Q599 WeakPolarHBondContact O-CG 3.35Å; L592-Q599 PolarHBondContact O-NE2 3.28Å; L594-Q599 PolarHBondContact O-NE2 3.44Å; P595-Q599 PolarHBondContact O-N 3.48Å; E596-Q599 PolarHBondContact O-N 2.93Å; Q599-I601 PolarHBondContact O-N 3.13Å; Q599-I601 VanDerWaalsContact O-N 3.12Å; Q599-L602 PolarHBondContact O-N 3.49Å; Q599-L603 WeakPolarHBondContact O-CB 3.16Å; Q599-L603 WeakPolarHBondContact O-CG 3.13Å; Q599-L603 PolarHBondContact O-N 2.96Å
600	G	75.8	Confident	73.5	Confident	31 Å²	31	78.9 Å²	78.9	32%	0.32	44%	0.443	S	S	.	.	H	α-helix	trans	-62.5	-18.6	-178.5	0	0	0	0	0	114.6	E596 L598 K604	E596-G600 PolarHBondContact O-N 2.81Å; E596-G600 VanDerWaalsContact O-N 3.1Å; L598-G600 PolarHBondContact O-N 2.76Å; G600-K604 WeakPolarHBondContact O-CD 3.25Å; G600-K604 WeakPolarHBondContact O-CE 3.29Å; G600-K604 WeakPolarHBondContact O-CG 3.19Å
601	I	78.9	Confident	72.7	Confident	106 Å²	106	83.2 Å²	83.2	54%	0.544	47%	0.467	S	S	.	.	H	α-helix	trans	-85.9	-57	171.2	-61.7	169.5	0	0	0	109.7	L598 Q599 L603 K604 T605	L598-I601 PolarHBondContact O-N 2.8Å; Q599-I601 PolarHBondContact O-N 3.13Å; Q599-I601 VanDerWaalsContact O-N 3.12Å; I601-L603 VanDerWaalsContact C-N 3.26Å; I601-L603 PolarHBondContact O-N 3.06Å; I601-K604 PolarHBondContact O-N 3.34Å; I601-T605 PolarHBondContact O-N 2.99Å; I601-T605 PolarHBondContact O-OG1 3.41Å; I601-T605 VanDerWaalsContact O-OG1 3.08Å
602	L	79.3	Confident	71.8	Confident	7 Å²	7	88 Å²	88	4%	0.037	49%	0.494	C	S	.	.	H	α-helix	trans	-62.4	-27.6	-172.7	-75.9	174.2	0	0	0	114.6	V555 V558 L559 K562 I591 L594 L598 Q599	V555-L602 HydrophobicContact CG1-CD2 4.38Å; V555-L602 HydrophobicContact CG2-CD1 4.23Å; V558-L602 HydrophobicContact CB-CD1 4.35Å; V558-L602 HydrophobicContact CB-CD2 4.39Å; V558-L602 HydrophobicContact CG1-CD1 4.2Å; V558-L602 HydrophobicContact CG1-CD2 3.94Å; V558-L602 HydrophobicContact CG2-CD1 4.37Å; L559-L602 HydrophobicContact CD2-CD2 4.21Å; L559-L602 HydrophobicContact CG-CD2 4.4Å; K562-L602 PolarHBondContact NZ-O 3.46Å; I591-L602 HydrophobicContact CD1-CB 4.31Å; I591-L602 HydrophobicContact CG1-CB 4.29Å; I591-L602 HydrophobicContact CG1-CD1 4.3Å; L594-L602 HydrophobicContact CD1-CD1 3.45Å; L594-L602 VanDerWaalsContact CD1-CD1 3.45Å; L598-L602 PolarHBondContact O-N 2.9Å; Q599-L602 PolarHBondContact O-N 3.49Å
603	L	74.9	Confident	70.8	Confident	95 Å²	95	85.6 Å²	85.6	50%	0.497	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-37.7	173.8	-69	169.3	0	0	0	112	I591 Q599 I601	I591-L603 HydrophobicContact CD1-CD2 4.4Å; I591-L603 HydrophobicContact CG2-CD2 4.13Å; I591-L603 HydrophobicContact CG2-CG 4.1Å; Q599-L603 WeakPolarHBondContact O-CB 3.16Å; Q599-L603 WeakPolarHBondContact O-CG 3.13Å; Q599-L603 PolarHBondContact O-N 2.96Å; I601-L603 VanDerWaalsContact C-N 3.26Å; I601-L603 PolarHBondContact O-N 3.06Å
604	K	65.7	Low	69.8	Low	167 Å²	167	87.1 Å²	87.1	73%	0.726	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-72	-31.7	-177.9	-69.7	176	-172.2	162.6	0	113	G600 I601 G606	G600-K604 WeakPolarHBondContact O-CD 3.25Å; G600-K604 WeakPolarHBondContact O-CE 3.29Å; G600-K604 WeakPolarHBondContact O-CG 3.19Å; I601-K604 PolarHBondContact O-N 3.34Å; K604-G606 PolarHBondContact O-N 2.96Å
605	T	56.3	Low	68.5	Low	80 Å²	80	92.4 Å²	92.4	49%	0.491	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-70.9	15.1	178.1	-23.1	0	0	0	0	114.4	I601	I601-T605 PolarHBondContact O-N 2.99Å; I601-T605 PolarHBondContact O-OG1 3.41Å; I601-T605 VanDerWaalsContact O-OG1 3.08Å
606	G	46.8	Very low	67.1	Low	50 Å²	50	96 Å²	96	52%	0.515	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-109.3	0.8	179.7	0	0	0	0	0	115.9	K604	K604-G606 PolarHBondContact O-N 2.96Å
607	M	34.3	Very low	65.8	Low	178 Å²	178	90.1 Å²	90.1	88%	0.877	51%	0.506	S	S	*	.			trans	-112.8	20.4	-173.3	-63.6	-170.4	71.3	0	0	114.6
608	T	31.3	Very low	64.3	Low	176 Å²	176	88 Å²	88	100%	1.08	50%	0.497	S	S	*	.			trans	-137.5	0	-179	55.1	0	0	0	0	111.2

Retrieved 608 of 608 residues in 1249.4 ms (Link to these results)

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