A0A087YS32_POEFO Loading...

Vasorin b

AlphaFold DB , UniProt , Accession A0A087YS32, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 694 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	39	Very low	32	Very low	241 Å²	241	164.4 Å²	164.4	100%	1.187	84%	0.835	S	S	*	*				0	148.5	0	-65	-174.7	-141.9	0	0	107.3
2	A	26.9	Very low	32.1	Very low	95 Å²	95	168.1 Å²	168.1	79%	0.785	84%	0.842	S	S	*	*			trans	60.9	125	-160.2	0	0	0	0	0	111.5
3	Q	29.8	Very low	32.2	Very low	189 Å²	189	167.9 Å²	167.9	88%	0.883	84%	0.844	S	S	*	*				83.4	79.3	51	-170.3	-180	-0.8	0	0	112.6
4	E	28.6	Very low	33.2	Very low	145 Å²	145	161.5 Å²	161.5	68%	0.678	82%	0.823	S	S	*	*			trans	-154.7	127.7	132.5	-97.9	-150.5	133.9	0	0	106.7
5	R	32.4	Very low	33.7	Very low	205 Å²	205	157.6 Å²	157.6	77%	0.774	81%	0.812	S	S	*	*				63.7	136.6	92.2	-71.4	-163.7	-177.8	154.2	-13.6	113.7
6	F	31.2	Very low	34.3	Very low	190 Å²	190	157.1 Å²	157.1	83%	0.833	81%	0.811	S	S	*	*			cis	-170.7	135.5	-13.3	-150.8	-103.4	0	0	0	107.5
7	C	27.3	Very low	35.1	Very low	117 Å²	117	154.6 Å²	154.6	79%	0.791	80%	0.796	S	S	*	*			trans	163.9	140.9	158.4	-95.4	0	0	0	0	109.6
8	T	32.4	Very low	35.8	Very low	125 Å²	125	149.9 Å²	149.9	77%	0.767	78%	0.779	S	S	*	*			cis	-147.6	164.4	2.9	28.3	0	0	0	0	111.5
9	M	35.8	Very low	36.4	Very low	181 Å²	181	149.1 Å²	149.1	89%	0.892	78%	0.775	S	S	*	*			trans	114.4	104.3	164.2	-67.9	-171.6	72.6	0	0	115.9
10	K	30.7	Very low	36.8	Very low	200 Å²	200	146.7 Å²	146.7	87%	0.87	76%	0.763	S	S	*	*			trans	-179.6	123.5	147.4	-103.7	171	179.8	-179.8	0	109.7
11	V	37.9	Very low	37.2	Very low	120 Å²	120	145.7 Å²	145.7	73%	0.727	76%	0.758	S	S	*	*				83.1	124.4	100.1	167.2	0	0	0	0	115.1
12	F	33.7	Very low	37.5	Very low	209 Å²	209	140 Å²	140	92%	0.917	73%	0.731	S	S	*	*			trans	-144.1	109.6	157.1	-104.7	-82.2	0	0	0	109.8
13	L	33.3	Very low	38.2	Very low	166 Å²	166	142.4 Å²	142.4	87%	0.869	73%	0.731	S	S	*	*			trans	-159.7	78	175.4	-133.5	155.9	0	0	0	111.8
14	S	45.2	Very low	39.1	Very low	78 Å²	78	139.8 Å²	139.8	55%	0.545	72%	0.721	S	S	.	*			trans	-163.5	155	153.1	80.9	0	0	0	0	108.4
15	P	41.1	Very low	39.6	Very low	103 Å²	103	139.3 Å²	139.3	67%	0.669	72%	0.723	S	S	*	*	S	Bend		-128.9	-7.5	74.2	36.1	-25.5	0	0	0	115.7	M17 S18	P15-M17 VanDerWaalsContact C-N 3.3Å; P15-M17 PolarHBondContact O-N 3.01Å; P15-S18 PolarHBondContact O-N 2.96Å
16	L	43.4	Very low	40.2	Very low	150 Å²	150	134.5 Å²	134.5	79%	0.785	72%	0.718	S	S	*	*	H	α-helix	trans	-65.8	-27.6	-172.1	-129.8	82.1	0	0	0	114.3
17	M	47.7	Very low	40.7	Very low	114 Å²	114	132.8 Å²	132.8	56%	0.562	72%	0.717	S	S	*	*	H	α-helix	trans	-76.8	-24.3	178.7	-77.4	-82.8	88.5	0	0	113.8	P15 L19 L20 L21	P15-M17 VanDerWaalsContact C-N 3.3Å; P15-M17 PolarHBondContact O-N 3.01Å; M17-L19 VanDerWaalsContact C-N 3.28Å; M17-L19 PolarHBondContact O-N 3.49Å; M17-L20 HydrophobicContact CE-CB 3.99Å; M17-L20 HydrophobicContact CE-CD2 3.72Å; M17-L20 HydrophobicContact CE-CG 4.46Å; M17-L20 PolarHBondContact O-N 2.84Å; M17-L21 PolarHBondContact O-N 3.46Å
18	S	48.7	Very low	41.4	Very low	71 Å²	71	131 Å²	131	50%	0.497	72%	0.719	S	S	.	*	H	α-helix	trans	-72.5	-23.8	178.2	-58.9	0	0	0	0	112.6	P15	P15-S18 PolarHBondContact O-N 2.96Å
19	L	45.8	Very low	41.7	Very low	133 Å²	133	132.6 Å²	132.6	70%	0.696	72%	0.722	S	S	*	*	H	α-helix	trans	-79.7	-29.9	174.4	-153.4	74.3	0	0	0	112.1	M17	M17-L19 VanDerWaalsContact C-N 3.28Å; M17-L19 PolarHBondContact O-N 3.49Å
20	L	45.2	Very low	42	Very low	102 Å²	102	131.2 Å²	131.2	53%	0.534	72%	0.717	S	S	.	*	H	α-helix	trans	-76.5	-30.4	178.4	-135	78.5	0	0	0	112.9	M17 L22 L23	M17-L20 HydrophobicContact CE-CB 3.99Å; M17-L20 HydrophobicContact CE-CD2 3.72Å; M17-L20 HydrophobicContact CE-CG 4.46Å; M17-L20 PolarHBondContact O-N 2.84Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.32Å; L20-L23 PolarHBondContact O-N 3.12Å
21	L	45.2	Very low	42.7	Very low	126 Å²	126	124.9 Å²	124.9	66%	0.66	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-72.2	-19.5	173.4	-98.9	80.6	0	0	0	113.8	M17 L23 I24	M17-L21 PolarHBondContact O-N 3.46Å; L21-L23 PolarHBondContact O-N 3.3Å; L21-I24 CarbonylContact O-C 3.15Å; L21-I24 PolarHBondContact O-N 2.66Å
22	L	44.5	Very low	43.7	Very low	120 Å²	120	124.5 Å²	124.5	63%	0.628	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-76.8	-10.3	173.8	-91.2	158.4	0	0	0	113.5	L20	L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.32Å
23	L	42.7	Very low	45.2	Very low	147 Å²	147	118.1 Å²	118.1	77%	0.77	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-91.2	1.8	169.6	-71.7	165.6	0	0	0	112.8	L20 L21	L20-L23 PolarHBondContact O-N 3.12Å; L21-L23 PolarHBondContact O-N 3.3Å
24	I	49	Very low	47.6	Very low	134 Å²	134	112.4 Å²	112.4	69%	0.687	65%	0.65	S	S	*	*			trans	-129.7	58.4	173	-43.1	178.4	0	0	0	108.6	L21	L21-I24 CarbonylContact O-C 3.15Å; L21-I24 PolarHBondContact O-N 2.66Å
25	L	38.1	Very low	49.5	Very low	134 Å²	134	109.3 Å²	109.3	70%	0.702	63%	0.628	S	S	*	*			trans	-67.1	127.6	154.1	-84.3	158.8	0	0	0	106.9
26	P	44.7	Very low	51.5	Low	105 Å²	105	112 Å²	112	68%	0.682	63%	0.632	S	S	*	*			trans	-63.1	146.5	175.4	28	-34.1	0	0	0	109.6	G28	P26-G28 PolarHBondContact O-N 3.16Å
27	D	42.5	Very low	53.5	Low	153 Å²	153	110.9 Å²	110.9	82%	0.818	63%	0.626	S	S	*	*			trans	-44.8	128.3	171.3	-63.6	-73.3	0	0	0	110.5	L29	D27-L29 PolarHBondContact O-N 2.83Å
28	G	41.2	Very low	55.5	Low	79 Å²	79	106.2 Å²	106.2	81%	0.814	60%	0.604	S	S	*	*			trans	-57.2	105.9	179.9	0	0	0	0	0	110	P26 L30	P26-G28 PolarHBondContact O-N 3.16Å; G28-L30 PolarHBondContact O-N 3.29Å
29	L	39.1	Very low	57.4	Low	160 Å²	160	108.8 Å²	108.8	84%	0.838	61%	0.612	S	S	*	*	S	Bend	trans	-57	136.3	-173.7	-82.5	153	0	0	0	111.8	D27	D27-L29 PolarHBondContact O-N 2.83Å
30	L	42.6	Very low	59.4	Low	151 Å²	151	104.6 Å²	104.6	79%	0.791	59%	0.593	S	S	*	*	S	Bend	trans	87.5	66	170.2	-52.1	172	0	0	0	118.3	G28	G28-L30 PolarHBondContact O-N 3.29Å
31	S	45.9	Very low	61.1	Low	67 Å²	67	103.4 Å²	103.4	47%	0.469	59%	0.593	S	S	.	*				-152.7	100.6	124.3	-175.7	0	0	0	0	109.3	N33	S31-N33 VanDerWaalsContact C-N 3.28Å; S31-N33 PolarHBondContact O-N 3.2Å
32	S	57.3	Low	62.2	Low	113 Å²	113	103.5 Å²	103.5	79%	0.79	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	9.5	-165.8	58.7	0	0	0	0	115.4
33	N	66.9	Low	63.2	Low	74 Å²	74	102.5 Å²	102.5	40%	0.396	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-136.2	25.8	-173.8	-67.1	-49.4	0	0	0	114	S31 P35	S31-N33 VanDerWaalsContact C-N 3.28Å; S31-N33 PolarHBondContact O-N 3.2Å; N33-P35 WeakPolarHBondContact O-CD 3.21Å
34	C	82.4	Confident	65.1	Low	46 Å²	46	95.7 Å²	95.7	31%	0.311	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-67.9	126.4	173.9	-165.3	0	0	0	0	111	C40	C34-C40 WeakPolarHBondContact CA-SG 3.41Å; C34-C40 HydrophobicContact CB-CB 3.75Å; C34-C40 WeakPolarHBondContact CB-SG 3.41Å; C34-C40 WeakPolarHBondContact SG-CB 3.46Å; C34-C40 PolarHBondContact SG-N 3.22Å; C34-C40 VanDerWaalsContact SG-N 3.43Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 2.96Å
35	P	86.2	Confident	67.1	Low	13 Å²	13	92.7 Å²	92.7	8%	0.084	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-66.3	154	177.9	-17.4	30.1	0	0	0	112.1	N33 C38 P57 L60	N33-P35 WeakPolarHBondContact O-CD 3.21Å; P35-C38 HydrophobicContact CB-CB 4.36Å; P35-C38 WeakPolarHBondContact O-CB 3.34Å; P35-C38 PolarHBondContact O-N 3.31Å; P35-P57 HydrophobicContact CB-CB 3.51Å; P35-P57 HydrophobicContact CB-CG 4.49Å; P35-P57 HydrophobicContact CG-CB 3.89Å; P35-L60 HydrophobicContact CG-CD2 3.84Å
36	Q	83.2	Confident	69.7	Low	161 Å²	161	86.7 Å²	86.7	75%	0.752	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	144.4	176.2	-65.7	-63.8	-60.4	0	0	111.2	C38	Q36-C38 PolarHBondContact O-N 3.24Å
37	D	84.8	Confident	71.9	Confident	126 Å²	126	84.6 Å²	84.6	67%	0.674	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	24.1	-176.4	-53.7	-50.5	0	0	0	114.6	R51	D37-R51 HydrophobicContact CB-CG 3.52Å
38	C	89	Confident	74.2	Confident	15 Å²	15	77.3 Å²	77.3	10%	0.101	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	151.4	172.8	-56.1	0	0	0	0	111.4	P35 Q36 I46 C48	P35-C38 HydrophobicContact CB-CB 4.36Å; P35-C38 WeakPolarHBondContact O-CB 3.34Å; P35-C38 PolarHBondContact O-N 3.31Å; Q36-C38 PolarHBondContact O-N 3.24Å; C38-I46 HydrophobicContact CB-CG2 4.18Å; C38-C48 HydrophobicContact CB-CB 3.98Å; C38-C48 WeakPolarHBondContact CB-SG 3.41Å; C38-C48 WeakPolarHBondContact SG-CB 3.35Å; C38-C48 CovalentContact SG-SG 2.03Å; C38-C48 PolarHBondContact SG-SG 3Å
39	L	89.1	Confident	76.1	Confident	125 Å²	125	75.9 Å²	75.9	65%	0.654	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	112.7	172.7	-61.6	176.1	0	0	0	108.5	L47	L39-L47 HydrophobicContact CB-CB 4.47Å; L39-L47 PolarHBondContact N-O 2.65Å; L39-L47 PolarHBondContact O-N 2.83Å
40	C	88.8	Confident	77.7	Confident	45 Å²	45	78.2 Å²	78.2	30%	0.304	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.9	176.5	-53.1	0	0	0	0	110.1	C34 N45	C34-C40 WeakPolarHBondContact CA-SG 3.41Å; C34-C40 HydrophobicContact CB-CB 3.75Å; C34-C40 WeakPolarHBondContact CB-SG 3.41Å; C34-C40 WeakPolarHBondContact SG-CB 3.46Å; C34-C40 PolarHBondContact SG-N 3.22Å; C34-C40 VanDerWaalsContact SG-N 3.43Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 2.96Å; C40-N45 WeakPolarHBondContact CA-O 3.15Å
41	S	79.8	Confident	79.9	Confident	77 Å²	77	72.8 Å²	72.8	54%	0.538	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.6	172.4	-169.9	0	0	0	0	109.9	G44 N45	S41-G44 PolarHBondContact O-N 2.96Å; S41-N45 PolarHBondContact N-O 3.26Å; S41-N45 PolarHBondContact O-N 2.82Å
42	N	69.3	Low	81.9	Confident	129 Å²	129	80.6 Å²	80.6	69%	0.69	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	134.9	-176.3	-103.9	-19.3	0	0	0	113.3
43	P	64.6	Low	83.4	Confident	98 Å²	98	76.9 Å²	76.9	64%	0.636	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	cis	-101.9	6	-32.6	38.4	-30.6	0	0	0	112.1	S63	P43-S63 PolarHBondContact O-OG 2.81Å
44	G	82.1	Confident	84.6	Confident	4 Å²	4	76 Å²	76	4%	0.041	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-4.3	-165.1	0	0	0	0	0	116.3	S41 K65 N66	S41-G44 PolarHBondContact O-N 2.96Å; G44-K65 WeakPolarHBondContact O-CA 3.34Å; G44-K65 PolarHBondContact O-N 2.94Å; G44-N66 PolarHBondContact O-N 3.26Å
45	N	91.2	Very high	85.1	Confident	71 Å²	71	77.3 Å²	77.3	38%	0.38	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116.1	-171.1	-65.4	-7.9	0	0	0	110.9	C40 S41 N66	C40-N45 WeakPolarHBondContact CA-O 3.15Å; S41-N45 PolarHBondContact N-O 3.26Å; S41-N45 PolarHBondContact O-N 2.82Å; N45-N66 WeakPolarHBondContact CA-O 3.38Å; N45-N66 PolarHBondContact OD1-ND2 3.39Å
46	I	92.6	Very high	85.4	Confident	9 Å²	9	77 Å²	77	5%	0.046	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118.9	176.3	-58.9	-178.2	0	0	0	108.8	C38 L60 T64 N66 L67 F68	C38-I46 HydrophobicContact CB-CG2 4.18Å; I46-L60 HydrophobicContact CD1-CD2 3.8Å; I46-L60 HydrophobicContact CG2-CD2 4.44Å; I46-T64 HydrophobicContact CB-CG2 4.47Å; I46-T64 HydrophobicContact CD1-CG2 3.89Å; I46-T64 WeakPolarHBondContact CD1-OG1 3.47Å; I46-T64 HydrophobicContact CG1-CG2 4.02Å; I46-N66 PolarHBondContact N-O 3.23Å; I46-L67 HydrophobicContact CB-CD1 3.94Å; I46-L67 HydrophobicContact CG2-CD1 3.89Å; I46-F68 PolarHBondContact O-N 3.49Å
47	L	92.3	Very high	85.8	Confident	60 Å²	60	69.8 Å²	69.8	31%	0.314	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	106.2	176.5	171.8	62.4	0	0	0	109.9	L39 F68 F70	L39-L47 HydrophobicContact CB-CB 4.47Å; L39-L47 PolarHBondContact N-O 2.65Å; L39-L47 PolarHBondContact O-N 2.83Å; L47-F68 HydrophobicContact CD1-CB 3.64Å; L47-F68 HydrophobicContact CD1-CG 4.37Å; L47-F70 HydrophobicContact CD1-CE1 3.64Å; L47-F70 HydrophobicContact CD1-CZ 4.08Å
48	C	90.9	Very high	85.7	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.9	170.4	-46.4	0	0	0	0	108.7	C38 P57 F68 L69 N72	C38-C48 HydrophobicContact CB-CB 3.98Å; C38-C48 WeakPolarHBondContact CB-SG 3.41Å; C38-C48 WeakPolarHBondContact SG-CB 3.35Å; C38-C48 CovalentContact SG-SG 2.03Å; C38-C48 PolarHBondContact SG-SG 3Å; C48-P57 VanDerWaalsContact SG-CG 3.59Å; C48-F68 PolarHBondContact N-O 3.41Å; C48-L69 HydrophobicContact CB-CD2 3.62Å; C48-L69 VanDerWaalsContact SG-CD2 3.53Å; C48-N72 PolarHBondContact O-ND2 3.34Å
49	S	80.6	Confident	85.1	Confident	50 Å²	50	74.3 Å²	74.3	35%	0.35	40%	0.396	S	S	.	.			trans	-125.5	137.6	179.8	76.9	0	0	0	0	110.4	R51	S49-R51 PolarHBondContact O-N 3.11Å
50	R	72.9	Confident	85	Confident	209 Å²	209	69.8 Å²	69.8	79%	0.789	37%	0.372	S	S	*	.	S	Bend	trans	59.5	27.2	178.1	-51.5	177.3	176.6	177.1	-0.6	114.4	R52 N72	R50-R52 PolarHBondContact O-N 3.18Å; R50-R52 VanDerWaalsContact O-N 3.16Å; R50-N72 PolarHBondContact N-OD1 2.87Å
51	R	88.6	Confident	84.8	Confident	36 Å²	36	69.8 Å²	69.8	14%	0.136	37%	0.369	C	S	.	.			trans	-58.7	-23	175.2	-115.1	179.4	73.7	-114.3	2.8	113.7	D37 S49 S53 T55 N72	D37-R51 HydrophobicContact CB-CG 3.52Å; S49-R51 PolarHBondContact O-N 3.11Å; R51-S53 PolarHBondContact NH2-OG 3.39Å; R51-S53 PolarHBondContact O-N 3.03Å; R51-T55 PolarHBondContact NH1-O 3.26Å; R51-T55 PolarHBondContact NH2-O 3.46Å; R51-N72 HydrophobicContact CB-CB 4.36Å; R51-N72 WeakPolarHBondContact CB-OD1 3.29Å; R51-N72 PolarHBondContact N-OD1 3.22Å
52	R	86.9	Confident	85.2	Confident	232 Å²	232	69.5 Å²	69.5	88%	0.875	37%	0.367	S	S	*	.			trans	50	41.7	-178.7	-64.4	176	178	-170.7	-0.7	112.5	R50 N72	R50-R52 PolarHBondContact O-N 3.18Å; R50-R52 VanDerWaalsContact O-N 3.16Å; R52-N72 CarbonylContact C-O 3.5Å; R52-N72 WeakPolarHBondContact CA-O 3.42Å; R52-N72 PolarHBondContact N-O 3.34Å
53	S	89.6	Confident	86.2	Confident	35 Å²	35	65.6 Å²	65.6	25%	0.245	35%	0.35	C	S	.	.			trans	-126.5	135.1	-172.2	-178.5	0	0	0	0	109.4	R51 T55 N72 G73	R51-S53 PolarHBondContact NH2-OG 3.39Å; R51-S53 PolarHBondContact O-N 3.03Å; S53-T55 PolarHBondContact O-N 3.14Å; S53-N72 PolarHBondContact N-O 3.48Å; S53-G73 CarbonylContact O-C 3.38Å
54	S	92.8	Very high	87.5	Confident	56 Å²	56	61 Å²	61	39%	0.392	32%	0.32	S	S	.	.	S	Bend	trans	-74.6	-2.9	-175.6	49	0	0	0	0	114.5	I74 E75	S54-I74 WeakPolarHBondContact O-CA 3.29Å; S54-E75 PolarHBondContact O-N 3.18Å
55	T	92.6	Very high	88.1	Confident	73 Å²	73	65.1 Å²	65.1	45%	0.448	34%	0.337	S	S	.	.	S	Bend	trans	-128	163.9	-174.8	72.5	0	0	0	0	113.3	R51 S53	R51-T55 PolarHBondContact NH1-O 3.26Å; R51-T55 PolarHBondContact NH2-O 3.46Å; S53-T55 PolarHBondContact O-N 3.14Å
56	I	92.8	Very high	88.3	Confident	7 Å²	7	63.9 Å²	63.9	4%	0.036	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-59.8	148.1	165.6	-55.6	-63.9	0	0	0	109.9	G58 L60 L69 I74 I77 D81 F82 L93	I56-G58 PolarHBondContact O-N 3.07Å; I56-L60 HydrophobicContact CG2-CD1 3.88Å; I56-L69 HydrophobicContact CD1-CD1 3.5Å; I56-L69 VanDerWaalsContact CD1-CD1 3.5Å; I56-L69 HydrophobicContact CG2-CD1 4.2Å; I56-I74 HydrophobicContact CD1-CD1 4.15Å; I56-I77 HydrophobicContact CD1-CG2 3.79Å; I56-I77 HydrophobicContact CG1-CG2 3.95Å; I56-D81 HydrophobicContact CB-CB 3.9Å; I56-D81 HydrophobicContact CG1-CB 3.75Å; I56-D81 HydrophobicContact CG2-CB 4.06Å; I56-F82 HydrophobicContact CD1-CE1 4.47Å; I56-F82 HydrophobicContact CD1-CZ 4.19Å; I56-F82 HydrophobicContact CG1-CZ 4.42Å; I56-L93 HydrophobicContact CD1-CD2 3.73Å
57	P	90.1	Very high	88.4	Confident	8 Å²	8	63.5 Å²	63.5	5%	0.052	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-69.5	128.3	172.2	-5	19.5	0	0	0	110.1	P35 C48 L60 L69	P35-P57 HydrophobicContact CB-CB 3.51Å; P35-P57 HydrophobicContact CB-CG 4.49Å; P35-P57 HydrophobicContact CG-CB 3.89Å; C48-P57 VanDerWaalsContact SG-CG 3.59Å; P57-L60 WeakPolarHBondContact O-CG 3.45Å; P57-L69 HydrophobicContact CG-CD2 3.7Å
58	G	83.3	Confident	88.6	Confident	59 Å²	59	63.5 Å²	63.5	61%	0.608	33%	0.325	S	S	*	.	S	Bend	trans	-70.9	158.5	173.6	0	0	0	0	0	112.9	I56	I56-G58 PolarHBondContact O-N 3.07Å
59	K	76.3	Confident	88.8	Confident	178 Å²	178	63.5 Å²	63.5	77%	0.774	33%	0.325	S	S	*	.	S	Bend	trans	65.1	44.7	179.3	-51.8	-179.5	-179.9	-179.6	0	115
60	L	87.4	Confident	89.5	Confident	29 Å²	29	64 Å²	64	15%	0.152	32%	0.322	C	S	.	.			trans	-68.7	143.8	169.3	-63.1	166.1	0	0	0	110.7	P35 I46 I56 P57 L67 L85	P35-L60 HydrophobicContact CG-CD2 3.84Å; I46-L60 HydrophobicContact CD1-CD2 3.8Å; I46-L60 HydrophobicContact CG2-CD2 4.44Å; I56-L60 HydrophobicContact CG2-CD1 3.88Å; P57-L60 WeakPolarHBondContact O-CG 3.45Å; L60-L67 HydrophobicContact CD1-CD2 3.69Å; L60-L67 HydrophobicContact CD2-CD1 3.99Å; L60-L67 HydrophobicContact CD2-CD2 4.47Å; L60-L85 HydrophobicContact CB-CD1 4.32Å; L60-L85 HydrophobicContact CB-CD2 3.83Å; L60-L85 HydrophobicContact CD1-CD1 3.83Å
61	D	85.1	Confident	90.5	Very high	45 Å²	45	56 Å²	56	24%	0.241	30%	0.3	C	S	.	.			trans	-81	138.4	-178.3	-163.3	-64.3	0	0	0	110.9	S63 T64 L85	D61-S63 PolarHBondContact O-N 3.35Å; D61-S63 WeakPolarHBondContact OD1-CB 3.46Å; D61-S63 PolarHBondContact OD1-N 3.38Å; D61-S63 PolarHBondContact OD1-OG 3.26Å; D61-T64 VanDerWaalsContact O-CB 3.22Å; D61-T64 WeakPolarHBondContact O-CB 3.38Å; D61-T64 PolarHBondContact O-N 3.04Å; D61-T64 PolarHBondContact O-OG1 3.12Å; D61-L85 WeakPolarHBondContact O-CD2 3.43Å
62	S	87.9	Confident	90.7	Very high	71 Å²	71	54.4 Å²	54.4	50%	0.497	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-12.4	179.9	58	0	0	0	0	113.9	T64 G84 N87	S62-T64 VanDerWaalsContact C-N 3.32Å; S62-G84 VanDerWaalsContact CB-O 3.25Å; S62-G84 WeakPolarHBondContact CB-O 3.33Å; S62-N87 PolarHBondContact O-ND2 3.4Å
63	S	89	Confident	91.1	Very high	48 Å²	48	44.3 Å²	44.3	34%	0.336	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-4	169.8	63.2	0	0	0	0	114.3	P43 D61 K65	P43-S63 PolarHBondContact O-OG 2.81Å; D61-S63 PolarHBondContact O-N 3.35Å; D61-S63 WeakPolarHBondContact OD1-CB 3.46Å; D61-S63 PolarHBondContact OD1-N 3.38Å; D61-S63 PolarHBondContact OD1-OG 3.26Å; S63-K65 PolarHBondContact O-N 2.88Å
64	T	92.3	Very high	91.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	25%	0.251	C	S	.	.			trans	-60.4	128.2	177.5	-52.4	0	0	0	0	111.2	I46 D61 S62 L67 N87 L88	I46-T64 HydrophobicContact CB-CG2 4.47Å; I46-T64 HydrophobicContact CD1-CG2 3.89Å; I46-T64 WeakPolarHBondContact CD1-OG1 3.47Å; I46-T64 HydrophobicContact CG1-CG2 4.02Å; D61-T64 VanDerWaalsContact O-CB 3.22Å; D61-T64 WeakPolarHBondContact O-CB 3.38Å; D61-T64 PolarHBondContact O-N 3.04Å; D61-T64 PolarHBondContact O-OG1 3.12Å; S62-T64 VanDerWaalsContact C-N 3.32Å; T64-L67 HydrophobicContact CG2-CB 4.27Å; T64-N87 CarbonylContact O-C 3.52Å; T64-L88 HydrophobicContact CG2-CD1 3.74Å; T64-L88 PolarHBondContact O-N 2.03Å
65	K	94.6	Very high	91.5	Very high	91 Å²	91	44.7 Å²	44.7	40%	0.396	25%	0.254	S	S	.	.			trans	-107.2	-38	176	-77.5	176.5	166.6	-87.6	0	112.8	G44 S63 E89 M90	G44-K65 WeakPolarHBondContact O-CA 3.34Å; G44-K65 PolarHBondContact O-N 2.94Å; S63-K65 PolarHBondContact O-N 2.88Å; K65-E89 IonicContact NZ-OE1 3.27Å; K65-E89 PolarHBondContact NZ-OE1 3.43Å; K65-E89 PolarHBondContact O-N 2.87Å; K65-M90 PolarHBondContact O-N 3.41Å
66	N	95.6	Very high	91.7	Very high	45 Å²	45	43.1 Å²	43.1	24%	0.241	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	117.9	-176.8	-54.7	-65.4	0	0	0	109.6	G44 N45 I46 F68 M90	G44-N66 PolarHBondContact O-N 3.26Å; N45-N66 WeakPolarHBondContact CA-O 3.38Å; N45-N66 PolarHBondContact OD1-ND2 3.39Å; I46-N66 PolarHBondContact N-O 3.23Å; N66-F68 HydrophobicContact CB-CE2 3.66Å; N66-F68 HydrophobicContact CB-CZ 3.96Å; N66-M90 WeakPolarHBondContact CA-O 3.34Å; N66-M90 HydrophobicContact CB-CB 4.17Å; N66-M90 WeakPolarHBondContact OD1-CB 3.44Å
67	L	95.4	Very high	91.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	109.5	-177.5	178.1	56.1	0	0	0	109.7	I46 L60 T64 L69 L85 L88 M90 L91 D92	I46-L67 HydrophobicContact CB-CD1 3.94Å; I46-L67 HydrophobicContact CG2-CD1 3.89Å; L60-L67 HydrophobicContact CD1-CD2 3.69Å; L60-L67 HydrophobicContact CD2-CD1 3.99Å; L60-L67 HydrophobicContact CD2-CD2 4.47Å; T64-L67 HydrophobicContact CG2-CB 4.27Å; L67-L69 HydrophobicContact CD1-CD1 4.15Å; L67-L69 HydrophobicContact CD1-CD2 3.88Å; L67-L69 HydrophobicContact CD1-CG 3.86Å; L67-L69 HydrophobicContact CD2-CD1 4.01Å; L67-L69 HydrophobicContact CG-CD1 3.92Å; L67-L69 HydrophobicContact CG-CD2 4.46Å; L67-L69 HydrophobicContact CG-CG 3.88Å; L67-L85 HydrophobicContact CD2-CD1 4.3Å; L67-L88 HydrophobicContact CB-CD1 3.69Å; L67-L88 HydrophobicContact CB-CD2 4.37Å; L67-M90 PolarHBondContact N-O 3.39Å; L67-L91 HydrophobicContact CB-CD1 4.17Å; L67-L91 HydrophobicContact CD2-CD1 3.99Å; L67-L91 HydrophobicContact CG-CD1 4.01Å; L67-D92 PolarHBondContact O-N 2.89Å
68	F	95.3	Very high	92	Very high	60 Å²	60	44.6 Å²	44.6	26%	0.263	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	112.4	-179.8	-54.2	-84.1	0	0	0	109.8	I46 L47 C48 N66 F70 M90 D92	I46-F68 PolarHBondContact O-N 3.49Å; L47-F68 HydrophobicContact CD1-CB 3.64Å; L47-F68 HydrophobicContact CD1-CG 4.37Å; C48-F68 PolarHBondContact N-O 3.41Å; N66-F68 HydrophobicContact CB-CE2 3.66Å; N66-F68 HydrophobicContact CB-CZ 3.96Å; F68-F70 HydrophobicContact CB-CD1 4.15Å; F68-F70 HydrophobicContact CB-CE1 4.17Å; F68-M90 HydrophobicContact CE1-CE 4.48Å; F68-M90 HydrophobicContact CE1-CG 4.03Å; F68-M90 HydrophobicContact CZ-CG 4.3Å; F68-D92 HydrophobicContact CD1-CB 3.93Å
69	L	95.4	Very high	92.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.248	C	C	.	.			trans	-124.8	21	-176.3	-63.1	179.4	0	0	0	112.2	C48 I56 P57 L67 N72 I74 D92 L93 N96	C48-L69 HydrophobicContact CB-CD2 3.62Å; C48-L69 VanDerWaalsContact SG-CD2 3.53Å; I56-L69 HydrophobicContact CD1-CD1 3.5Å; I56-L69 VanDerWaalsContact CD1-CD1 3.5Å; I56-L69 HydrophobicContact CG2-CD1 4.2Å; P57-L69 HydrophobicContact CG-CD2 3.7Å; L67-L69 HydrophobicContact CD1-CD1 4.15Å; L67-L69 HydrophobicContact CD1-CD2 3.88Å; L67-L69 HydrophobicContact CD1-CG 3.86Å; L67-L69 HydrophobicContact CD2-CD1 4.01Å; L67-L69 HydrophobicContact CG-CD1 3.92Å; L67-L69 HydrophobicContact CG-CD2 4.46Å; L67-L69 HydrophobicContact CG-CG 3.88Å; L69-N72 VanDerWaalsContact CA-ND2 3.33Å; L69-N72 WeakPolarHBondContact CA-ND2 3.25Å; L69-N72 PolarHBondContact O-ND2 3.35Å; L69-I74 HydrophobicContact CB-CD1 3.98Å; L69-I74 HydrophobicContact CD1-CD1 4.45Å; L69-D92 CarbonylContact C-O 3.43Å; L69-D92 WeakPolarHBondContact CA-O 3.31Å; L69-D92 WeakPolarHBondContact CB-O 3.43Å; L69-D92 PolarHBondContact N-O 2.92Å; L69-L93 HydrophobicContact CB-CD2 3.94Å; L69-L93 HydrophobicContact CD1-CD2 3.97Å; L69-N96 PolarHBondContact O-ND2 3.27Å
70	F	94.8	Very high	93.2	Very high	61 Å²	61	41.3 Å²	41.3	27%	0.268	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	153.1	-179.5	66.9	-92.5	0	0	0	113.5	L47 F68 N72 D92 S94	L47-F70 HydrophobicContact CD1-CE1 3.64Å; L47-F70 HydrophobicContact CD1-CZ 4.08Å; F68-F70 HydrophobicContact CB-CD1 4.15Å; F68-F70 HydrophobicContact CB-CE1 4.17Å; F70-N72 VanDerWaalsContact C-N 3.26Å; F70-N72 PolarHBondContact O-N 3.26Å; F70-N72 PolarHBondContact O-ND2 3.45Å; F70-D92 VanDerWaalsContact CD1-OD2 3.27Å; F70-D92 WeakPolarHBondContact CD1-OD2 3.21Å; F70-D92 PolarHBondContact N-O 3.2Å; F70-S94 CarbonylContact C-O 3.37Å; F70-S94 WeakPolarHBondContact CA-O 3.34Å; F70-S94 WeakPolarHBondContact CB-O 3.22Å; F70-S94 WeakPolarHBondContact CB-OG 3.39Å
71	A	93.7	Very high	93.5	Very high	41 Å²	41	42.7 Å²	42.7	34%	0.339	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	37.3	173.7	0	0	0	0	0	114.8	S94 Q95	A71-S94 PolarHBondContact N-O 3.15Å; A71-Q95 WeakPolarHBondContact CA-O 3.45Å; A71-Q95 HydrophobicContact CB-CB 4.17Å
72	N	93.6	Very high	93.9	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	24%	0.237	C	C	.	.	S	Bend	trans	-103.5	-16.2	-179.3	-74.5	-42.9	0	0	0	114.1	C48 R50 R51 R52 S53 L69 F70 I74 N96	C48-N72 PolarHBondContact O-ND2 3.34Å; R50-N72 PolarHBondContact N-OD1 2.87Å; R51-N72 HydrophobicContact CB-CB 4.36Å; R51-N72 WeakPolarHBondContact CB-OD1 3.29Å; R51-N72 PolarHBondContact N-OD1 3.22Å; R52-N72 CarbonylContact C-O 3.5Å; R52-N72 WeakPolarHBondContact CA-O 3.42Å; R52-N72 PolarHBondContact N-O 3.34Å; S53-N72 PolarHBondContact N-O 3.48Å; L69-N72 VanDerWaalsContact CA-ND2 3.33Å; L69-N72 WeakPolarHBondContact CA-ND2 3.25Å; L69-N72 PolarHBondContact O-ND2 3.35Å; F70-N72 VanDerWaalsContact C-N 3.26Å; F70-N72 PolarHBondContact O-N 3.26Å; F70-N72 PolarHBondContact O-ND2 3.45Å; N72-I74 HydrophobicContact CB-CD1 4.19Å; N72-I74 HydrophobicContact CB-CG1 4.09Å; N72-N96 WeakPolarHBondContact CA-OD1 3.36Å; N72-N96 PolarHBondContact N-OD1 3.26Å
73	G	94.8	Very high	94	Very high	20 Å²	20	42.4 Å²	42.4	21%	0.206	24%	0.242	C	C	.	.			trans	81.6	27.5	-177.9	0	0	0	0	0	113.8	S53 E75 N96	S53-G73 CarbonylContact O-C 3.38Å; G73-E75 PolarHBondContact O-N 2.9Å; G73-N96 PolarHBondContact N-OD1 3.46Å
74	I	96.3	Very high	94	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.244	C	C	.	.			trans	-64.4	128	177.9	-60.3	163.8	0	0	0	109.3	S54 I56 L69 N72 G76 I77 L93 N96 K97 L98	S54-I74 WeakPolarHBondContact O-CA 3.29Å; I56-I74 HydrophobicContact CD1-CD1 4.15Å; L69-I74 HydrophobicContact CB-CD1 3.98Å; L69-I74 HydrophobicContact CD1-CD1 4.45Å; N72-I74 HydrophobicContact CB-CD1 4.19Å; N72-I74 HydrophobicContact CB-CG1 4.09Å; I74-G76 VanDerWaalsContact CG2-O 3.29Å; I74-G76 WeakPolarHBondContact CG2-O 3.33Å; I74-I77 HydrophobicContact CG2-CG2 4.21Å; I74-L93 HydrophobicContact CD1-CD2 3.97Å; I74-N96 HydrophobicContact CB-CB 4.1Å; I74-N96 PolarHBondContact N-OD1 3.25Å; I74-K97 CarbonylContact O-C 3.58Å; I74-K97 WeakPolarHBondContact O-CA 3.39Å; I74-K97 WeakPolarHBondContact O-CB 3.41Å; I74-K97 PolarHBondContact O-N 2.99Å; I74-L98 HydrophobicContact CG2-CD2 3.95Å; I74-L98 PolarHBondContact O-N 3.27Å
75	E	96.3	Very high	94.1	Very high	99 Å²	99	42 Å²	42	46%	0.463	24%	0.244	S	C	.	.			trans	-105.4	-24.1	-174.3	-74.5	169.5	-178.4	0	0	112.3	S54 G73 K97	S54-E75 PolarHBondContact O-N 3.18Å; G73-E75 PolarHBondContact O-N 2.9Å; E75-K97 HydrophobicContact CG-CB 3.75Å; E75-K97 HydrophobicContact CG-CD 3.55Å; E75-K97 HydrophobicContact CG-CG 4.36Å; E75-K97 WeakPolarHBondContact OE1-CD 3.01Å; E75-K97 IonicContact OE1-NZ 2.66Å; E75-K97 PolarHBondContact OE1-NZ 2.85Å
76	G	94.8	Very high	94	Very high	39 Å²	39	42.2 Å²	42.2	40%	0.402	25%	0.249	S	C	.	.			trans	-149.6	161.1	174.8	0	0	0	0	0	112.6	I74	I74-G76 VanDerWaalsContact CG2-O 3.29Å; I74-G76 WeakPolarHBondContact CG2-O 3.33Å
77	I	96.3	Very high	93.9	Very high	11 Å²	11	44 Å²	44	6%	0.056	26%	0.259	C	S	.	.			trans	-137.4	148.7	176	50.7	167.7	0	0	0	109.3	I56 I74 F82 L98 L101 P102 V105 F106	I56-I77 HydrophobicContact CD1-CG2 3.79Å; I56-I77 HydrophobicContact CG1-CG2 3.95Å; I74-I77 HydrophobicContact CG2-CG2 4.21Å; I77-F82 HydrophobicContact CB-CE2 4.17Å; I77-F82 HydrophobicContact CB-CZ 4.44Å; I77-F82 HydrophobicContact CD1-CE2 4.4Å; I77-F82 HydrophobicContact CG2-CZ 4.3Å; I77-L98 HydrophobicContact CD1-CD1 4.45Å; I77-L98 HydrophobicContact CG1-CD2 4.35Å; I77-L98 HydrophobicContact CG2-CD2 4.07Å; I77-L101 HydrophobicContact CD1-CD2 3.96Å; I77-P102 WeakPolarHBondContact O-CG 3.29Å; I77-V105 HydrophobicContact CB-CG2 4.25Å; I77-V105 HydrophobicContact CD1-CG1 4.07Å; I77-V105 HydrophobicContact CD1-CG2 3.78Å; I77-V105 HydrophobicContact CG1-CG2 3.9Å; I77-F106 HydrophobicContact CD1-CE1 3.81Å; I77-F106 HydrophobicContact CD1-CZ 3.62Å
78	A	94.5	Very high	94	Very high	36 Å²	36	44 Å²	44	30%	0.298	26%	0.259	S	S	.	.			trans	-130.2	159.6	176.3	0	0	0	0	0	110.9	E80 D81 F82	A78-E80 WeakPolarHBondContact CB-OE2 3.38Å; A78-E80 PolarHBondContact O-N 3.48Å; A78-D81 PolarHBondContact N-OD2 2.79Å; A78-D81 WeakPolarHBondContact O-CB 3.06Å; A78-D81 PolarHBondContact O-N 2.98Å; A78-D81 VanDerWaalsContact O-N 3.12Å; A78-F82 WeakPolarHBondContact O-CD2 3.47Å
79	A	92.1	Very high	94.1	Very high	30 Å²	30	43.5 Å²	43.5	25%	0.248	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-63.4	-30.7	-178.7	0	0	0	0	0	111.4	D81 F82 N83	A79-D81 PolarHBondContact O-N 2.04Å; A79-F82 PolarHBondContact O-N 3.43Å; A79-F82 VanDerWaalsContact O-N 3.14Å; A79-N83 PolarHBondContact O-N 3.05Å
80	E	91.9	Very high	94.2	Very high	138 Å²	138	45 Å²	45	65%	0.645	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-62.2	-28.2	176.7	-63.1	75.7	-169.1	0	0	113.2	A78 F82 N83	A78-E80 WeakPolarHBondContact CB-OE2 3.38Å; A78-E80 PolarHBondContact O-N 3.48Å; E80-F82 PolarHBondContact O-N 3.28Å; E80-N83 PolarHBondContact O-N 2.83Å
81	D	93.3	Very high	94.4	Very high	57 Å²	57	42.1 Å²	42.1	31%	0.305	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-65.9	-23.2	176.9	-66.2	-39.6	0	0	0	112.5	I56 A78 A79	I56-D81 HydrophobicContact CB-CB 3.9Å; I56-D81 HydrophobicContact CG1-CB 3.75Å; I56-D81 HydrophobicContact CG2-CB 4.06Å; A78-D81 PolarHBondContact N-OD2 2.79Å; A78-D81 WeakPolarHBondContact O-CB 3.06Å; A78-D81 PolarHBondContact O-N 2.98Å; A78-D81 VanDerWaalsContact O-N 3.12Å; A79-D81 PolarHBondContact O-N 2.04Å
82	F	93.9	Very high	94.6	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-108	-0.3	-174.8	-58.3	-66	0	0	0	113.6	I56 I77 A78 A79 E80 G84 L85 L91 L93 V105 F106 P108 L109	I56-F82 HydrophobicContact CD1-CE1 4.47Å; I56-F82 HydrophobicContact CD1-CZ 4.19Å; I56-F82 HydrophobicContact CG1-CZ 4.42Å; I77-F82 HydrophobicContact CB-CE2 4.17Å; I77-F82 HydrophobicContact CB-CZ 4.44Å; I77-F82 HydrophobicContact CD1-CE2 4.4Å; I77-F82 HydrophobicContact CG2-CZ 4.3Å; A78-F82 WeakPolarHBondContact O-CD2 3.47Å; A79-F82 PolarHBondContact O-N 3.43Å; A79-F82 VanDerWaalsContact O-N 3.14Å; E80-F82 PolarHBondContact O-N 3.28Å; F82-G84 PolarHBondContact O-N 3.04Å; F82-L85 HydrophobicContact CD1-CD1 4.35Å; F82-L85 WeakPolarHBondContact O-CB 3.02Å; F82-L85 PolarHBondContact O-N 3.18Å; F82-L91 HydrophobicContact CD1-CD2 4.27Å; F82-L91 HydrophobicContact CE1-CD1 4.32Å; F82-L91 HydrophobicContact CE1-CD2 3.6Å; F82-L91 HydrophobicContact CZ-CD2 4.07Å; F82-L93 HydrophobicContact CZ-CD1 4.27Å; F82-V105 HydrophobicContact CD2-CG2 4.36Å; F82-V105 WeakPolarHBondContact CD2-O 3.35Å; F82-V105 HydrophobicContact CE2-CG2 4.05Å; F82-F106 HydrophobicContact CE2-CD1 4.22Å; F82-F106 HydrophobicContact CE2-CE1 4.11Å; F82-F106 HydrophobicContact CZ-CE1 4.18Å; F82-P108 HydrophobicContact CB-CB 4.35Å; F82-P108 HydrophobicContact CB-CG 4.43Å; F82-L109 HydrophobicContact CB-CD1 4.37Å; F82-L109 HydrophobicContact CB-CD2 3.86Å; F82-L109 HydrophobicContact CB-CG 4.06Å; F82-L109 HydrophobicContact CD1-CD1 3.95Å; F82-L109 HydrophobicContact CD1-CD2 4.27Å; F82-L109 HydrophobicContact CD1-CG 4.48Å; F82-L109 HydrophobicContact CG-CD1 4.1Å; F82-L109 HydrophobicContact CG-CD2 4.36Å; F82-L109 HydrophobicContact CG-CG 4.35Å
83	N	91.3	Very high	94.8	Very high	110 Å²	110	40.9 Å²	40.9	59%	0.588	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	128.4	-178	-88.1	-23.1	0	0	0	112.1	A79 E80 L85	A79-N83 PolarHBondContact O-N 3.05Å; E80-N83 PolarHBondContact O-N 2.83Å; N83-L85 VanDerWaalsContact C-N 3.33Å
84	G	88.9	Confident	95	Very high	37 Å²	37	40.2 Å²	40.2	38%	0.381	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	-5.6	179.7	0	0	0	0	0	115.3	S62 F82 L86	S62-G84 VanDerWaalsContact CB-O 3.25Å; S62-G84 WeakPolarHBondContact CB-O 3.33Å; F82-G84 PolarHBondContact O-N 3.04Å; G84-L86 PolarHBondContact O-N 2.86Å
85	L	93.3	Very high	95	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	26%	0.257	C	S	.	.			trans	-82.1	43.3	177.7	-56	-176.6	0	0	0	112.9	L60 D61 L67 F82 N83 N87 L88 L109	L60-L85 HydrophobicContact CB-CD1 4.32Å; L60-L85 HydrophobicContact CB-CD2 3.83Å; L60-L85 HydrophobicContact CD1-CD1 3.83Å; D61-L85 WeakPolarHBondContact O-CD2 3.43Å; L67-L85 HydrophobicContact CD2-CD1 4.3Å; F82-L85 HydrophobicContact CD1-CD1 4.35Å; F82-L85 WeakPolarHBondContact O-CB 3.02Å; F82-L85 PolarHBondContact O-N 3.18Å; N83-L85 VanDerWaalsContact C-N 3.33Å; L85-N87 PolarHBondContact O-N 3.39Å; L85-N87 VanDerWaalsContact O-N 3.11Å; L85-L88 HydrophobicContact CB-CB 4.27Å; L85-L88 VanDerWaalsContact O-CB 3.29Å; L85-L88 WeakPolarHBondContact O-CB 3.04Å; L85-L88 PolarHBondContact O-N 2.84Å; L85-L88 VanDerWaalsContact O-N 3.07Å; L85-L109 HydrophobicContact CB-CD2 3.78Å
86	L	92.8	Very high	95	Very high	96 Å²	96	41.3 Å²	41.3	50%	0.503	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.3	-174.4	-58.3	178.1	0	0	0	113.6	G84 P108 S111	G84-L86 PolarHBondContact O-N 2.86Å; L86-P108 WeakPolarHBondContact CD2-O 3.47Å; L86-S111 VanDerWaalsContact O-CB 3.22Å; L86-S111 WeakPolarHBondContact O-CB 3.02Å; L86-S111 PolarHBondContact O-OG 2.96Å
87	N	94.3	Very high	95.2	Very high	82 Å²	82	43.9 Å²	43.9	44%	0.439	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	2.7	-179.1	-62	-63.9	0	0	0	113.7	S62 T64 L85 E89	S62-N87 PolarHBondContact O-ND2 3.4Å; T64-N87 CarbonylContact O-C 3.52Å; L85-N87 PolarHBondContact O-N 3.39Å; L85-N87 VanDerWaalsContact O-N 3.11Å; N87-E89 PolarHBondContact O-N 3.46Å
88	L	96.5	Very high	95.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.			trans	-71	121.9	-176.8	-162.4	73.4	0	0	0	110.3	T64 L67 L85 L91 L109 S111 L112	T64-L88 HydrophobicContact CG2-CD1 3.74Å; T64-L88 PolarHBondContact O-N 2.03Å; L67-L88 HydrophobicContact CB-CD1 3.69Å; L67-L88 HydrophobicContact CB-CD2 4.37Å; L85-L88 HydrophobicContact CB-CB 4.27Å; L85-L88 VanDerWaalsContact O-CB 3.29Å; L85-L88 WeakPolarHBondContact O-CB 3.04Å; L85-L88 PolarHBondContact O-N 2.84Å; L85-L88 VanDerWaalsContact O-N 3.07Å; L88-L91 HydrophobicContact CD2-CB 4.02Å; L88-L91 HydrophobicContact CD2-CD1 4.44Å; L88-L91 HydrophobicContact CD2-CD2 4.5Å; L88-L109 HydrophobicContact CB-CD2 4.14Å; L88-L109 HydrophobicContact CD2-CD1 4.2Å; L88-L109 HydrophobicContact CD2-CD2 3.79Å; L88-S111 CarbonylContact O-C 3.41Å; L88-L112 HydrophobicContact CB-CD1 4.38Å; L88-L112 HydrophobicContact CD2-CD1 4.03Å; L88-L112 HydrophobicContact CG-CD1 4Å; L88-L112 WeakPolarHBondContact O-CA 3.26Å; L88-L112 PolarHBondContact O-N 3.07Å; L88-L112 VanDerWaalsContact O-N 3.13Å
89	E	97.6	Very high	95.4	Very high	50 Å²	50	44.7 Å²	44.7	23%	0.234	24%	0.239	C	C	.	.			trans	-105.2	-30.1	179.9	-64.1	-176.1	-118.4	0	0	111.9	K65 N87 K113 N114	K65-E89 IonicContact NZ-OE1 3.27Å; K65-E89 PolarHBondContact NZ-OE1 3.43Å; K65-E89 PolarHBondContact O-N 2.87Å; N87-E89 PolarHBondContact O-N 3.46Å; E89-K113 PolarHBondContact O-N 3.44Å; E89-K113 IonicContact OE2-NZ 2.77Å; E89-K113 PolarHBondContact OE2-NZ 2.92Å; E89-N114 PolarHBondContact O-N 3.17Å
90	M	97.9	Very high	95.5	Very high	33 Å²	33	47.5 Å²	47.5	16%	0.163	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.4	177.4	178.7	89.5	-154.9	0	0	111.2	K65 N66 L67 F68 D92 N114	K65-M90 PolarHBondContact O-N 3.41Å; N66-M90 WeakPolarHBondContact CA-O 3.34Å; N66-M90 HydrophobicContact CB-CB 4.17Å; N66-M90 WeakPolarHBondContact OD1-CB 3.44Å; L67-M90 PolarHBondContact N-O 3.39Å; F68-M90 HydrophobicContact CE1-CE 4.48Å; F68-M90 HydrophobicContact CE1-CG 4.03Å; F68-M90 HydrophobicContact CZ-CG 4.3Å; M90-D92 HydrophobicContact CE-CB 4.05Å; M90-N114 WeakPolarHBondContact CA-O 3.27Å; M90-N114 HydrophobicContact CE-CB 4.24Å; M90-N114 HydrophobicContact CG-CB 4.44Å; M90-N114 HydrophobicContact SD-CB 3.31Å; M90-N114 WeakPolarHBondContact SD-CB 3.45Å
91	L	98.2	Very high	95.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	120.6	169.1	178.4	56.2	0	0	0	109.9	L67 F82 L88 L93 F106 L109 L112 N114 L115 D116	L67-L91 HydrophobicContact CB-CD1 4.17Å; L67-L91 HydrophobicContact CD2-CD1 3.99Å; L67-L91 HydrophobicContact CG-CD1 4.01Å; F82-L91 HydrophobicContact CD1-CD2 4.27Å; F82-L91 HydrophobicContact CE1-CD1 4.32Å; F82-L91 HydrophobicContact CE1-CD2 3.6Å; F82-L91 HydrophobicContact CZ-CD2 4.07Å; L88-L91 HydrophobicContact CD2-CB 4.02Å; L88-L91 HydrophobicContact CD2-CD1 4.44Å; L88-L91 HydrophobicContact CD2-CD2 4.5Å; L91-L93 HydrophobicContact CD1-CD1 4.27Å; L91-L93 HydrophobicContact CD1-CG 4.02Å; L91-L93 HydrophobicContact CD2-CD1 3.87Å; L91-L93 HydrophobicContact CD2-CG 4.49Å; L91-L93 HydrophobicContact CG-CD1 4.02Å; L91-L93 HydrophobicContact CG-CG 4.11Å; L91-F106 HydrophobicContact CD2-CD1 4.29Å; L91-F106 HydrophobicContact CD2-CE1 4.1Å; L91-L109 HydrophobicContact CD2-CD1 3.74Å; L91-L112 HydrophobicContact CB-CD1 3.86Å; L91-L112 HydrophobicContact CB-CD2 4.33Å; L91-N114 PolarHBondContact N-O 2.91Å; L91-L115 HydrophobicContact CB-CD1 4.08Å; L91-L115 HydrophobicContact CD2-CD1 3.94Å; L91-L115 HydrophobicContact CG-CD1 4.01Å; L91-L115 WeakPolarHBondContact O-CA 3.34Å; L91-D116 PolarHBondContact O-N 3.35Å
92	D	98.3	Very high	95.8	Very high	18 Å²	18	41.7 Å²	41.7	10%	0.096	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	109.9	174.6	176.3	7.5	0	0	0	110	L67 F68 L69 F70 M90 S94 D116	L67-D92 PolarHBondContact O-N 2.89Å; F68-D92 HydrophobicContact CD1-CB 3.93Å; L69-D92 CarbonylContact C-O 3.43Å; L69-D92 WeakPolarHBondContact CA-O 3.31Å; L69-D92 WeakPolarHBondContact CB-O 3.43Å; L69-D92 PolarHBondContact N-O 2.92Å; F70-D92 VanDerWaalsContact CD1-OD2 3.27Å; F70-D92 WeakPolarHBondContact CD1-OD2 3.21Å; F70-D92 PolarHBondContact N-O 3.2Å; M90-D92 HydrophobicContact CE-CB 4.05Å; D92-S94 WeakPolarHBondContact OD1-CB 3.28Å; D92-S94 PolarHBondContact OD1-N 2.9Å; D92-S94 PolarHBondContact OD1-OG 3.31Å; D92-D116 HydrophobicContact CB-CB 4.45Å
93	L	97.8	Very high	95.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	S	.	.			trans	-113.4	19	175.9	-74.9	166.1	0	0	0	111.2	I56 L69 I74 F82 L91 N96 L98 F106 D116 L117 N120	I56-L93 HydrophobicContact CD1-CD2 3.73Å; L69-L93 HydrophobicContact CB-CD2 3.94Å; L69-L93 HydrophobicContact CD1-CD2 3.97Å; I74-L93 HydrophobicContact CD1-CD2 3.97Å; F82-L93 HydrophobicContact CZ-CD1 4.27Å; L91-L93 HydrophobicContact CD1-CD1 4.27Å; L91-L93 HydrophobicContact CD1-CG 4.02Å; L91-L93 HydrophobicContact CD2-CD1 3.87Å; L91-L93 HydrophobicContact CD2-CG 4.49Å; L91-L93 HydrophobicContact CG-CD1 4.02Å; L91-L93 HydrophobicContact CG-CG 4.11Å; L93-N96 VanDerWaalsContact C-ND2 3.33Å; L93-N96 PolarHBondContact O-ND2 2.99Å; L93-L98 HydrophobicContact CB-CD1 4.4Å; L93-F106 HydrophobicContact CD1-CE1 4.27Å; L93-D116 CarbonylContact C-O 3.57Å; L93-D116 WeakPolarHBondContact CA-O 3.24Å; L93-D116 PolarHBondContact N-O 2.64Å; L93-L117 HydrophobicContact CB-CD2 3.9Å; L93-L117 HydrophobicContact CD1-CD2 3.98Å; L93-N120 PolarHBondContact O-ND2 3.18Å
94	S	98.3	Very high	96.1	Very high	5 Å²	5	46.7 Å²	46.7	4%	0.035	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	159.3	-176.2	67.2	0	0	0	0	113.7	F70 A71 D92 N96 D116 S118	F70-S94 CarbonylContact C-O 3.37Å; F70-S94 WeakPolarHBondContact CA-O 3.34Å; F70-S94 WeakPolarHBondContact CB-O 3.22Å; F70-S94 WeakPolarHBondContact CB-OG 3.39Å; A71-S94 PolarHBondContact N-O 3.15Å; D92-S94 WeakPolarHBondContact OD1-CB 3.28Å; D92-S94 PolarHBondContact OD1-N 2.9Å; D92-S94 PolarHBondContact OD1-OG 3.31Å; S94-N96 PolarHBondContact O-N 3.41Å; S94-N96 VanDerWaalsContact O-N 3.17Å; S94-N96 PolarHBondContact O-ND2 3.04Å; S94-D116 PolarHBondContact N-O 2.6Å; S94-S118 CarbonylContact C-O 3.57Å; S94-S118 WeakPolarHBondContact CA-O 3.16Å; S94-S118 WeakPolarHBondContact CB-O 3.45Å; S94-S118 WeakPolarHBondContact CB-OG 3.45Å
95	Q	96.9	Very high	96.4	Very high	114 Å²	114	44.9 Å²	44.9	53%	0.533	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	32.4	175.8	-58.3	171.4	57.5	0	0	113.8	A71 S118 S119	A71-Q95 WeakPolarHBondContact CA-O 3.45Å; A71-Q95 HydrophobicContact CB-CB 4.17Å; Q95-S118 PolarHBondContact N-O 3.33Å; Q95-S119 VanDerWaalsContact CA-O 3.24Å; Q95-S119 WeakPolarHBondContact CA-O 3.38Å; Q95-S119 PolarHBondContact N-O 2.77Å
96	N	97.3	Very high	96.6	Very high	9 Å²	9	44.8 Å²	44.8	5%	0.048	22%	0.223	C	C	.	.	S	Bend	trans	-103.9	-157.4	174.5	-77.1	-62.4	0	0	0	110.1	L69 N72 G73 I74 L93 S94 N120	L69-N96 PolarHBondContact O-ND2 3.27Å; N72-N96 WeakPolarHBondContact CA-OD1 3.36Å; N72-N96 PolarHBondContact N-OD1 3.26Å; G73-N96 PolarHBondContact N-OD1 3.46Å; I74-N96 HydrophobicContact CB-CB 4.1Å; I74-N96 PolarHBondContact N-OD1 3.25Å; L93-N96 VanDerWaalsContact C-ND2 3.33Å; L93-N96 PolarHBondContact O-ND2 2.99Å; S94-N96 PolarHBondContact O-N 3.41Å; S94-N96 VanDerWaalsContact O-N 3.17Å; S94-N96 PolarHBondContact O-ND2 3.04Å; N96-N120 VanDerWaalsContact CA-OD1 3.28Å; N96-N120 WeakPolarHBondContact CA-OD1 3.37Å; N96-N120 WeakPolarHBondContact CB-OD1 3.28Å; N96-N120 PolarHBondContact N-OD1 2.96Å; N96-N120 PolarHBondContact O-OD1 3.25Å
97	K	97.6	Very high	96.7	Very high	93 Å²	93	44 Å²	44	40%	0.404	22%	0.217	S	C	.	.			trans	-125	23.6	-176.4	-62.5	172.2	170.2	176.3	0	112.5	I74 E75 T99 N120	I74-K97 CarbonylContact O-C 3.58Å; I74-K97 WeakPolarHBondContact O-CA 3.39Å; I74-K97 WeakPolarHBondContact O-CB 3.41Å; I74-K97 PolarHBondContact O-N 2.99Å; E75-K97 HydrophobicContact CG-CB 3.75Å; E75-K97 HydrophobicContact CG-CD 3.55Å; E75-K97 HydrophobicContact CG-CG 4.36Å; E75-K97 WeakPolarHBondContact OE1-CD 3.01Å; E75-K97 IonicContact OE1-NZ 2.66Å; E75-K97 PolarHBondContact OE1-NZ 2.85Å; K97-T99 PolarHBondContact O-N 3.11Å; K97-N120 PolarHBondContact N-OD1 3.07Å
98	L	98.1	Very high	96.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.			trans	-61.9	121.6	-179.7	-57.9	176.6	0	0	0	109.7	I74 I77 L93 L117 N120 Q121 I122	I74-L98 HydrophobicContact CG2-CD2 3.95Å; I74-L98 PolarHBondContact O-N 3.27Å; I77-L98 HydrophobicContact CD1-CD1 4.45Å; I77-L98 HydrophobicContact CG1-CD2 4.35Å; I77-L98 HydrophobicContact CG2-CD2 4.07Å; L93-L98 HydrophobicContact CB-CD1 4.4Å; L98-L117 HydrophobicContact CD1-CD2 3.88Å; L98-N120 HydrophobicContact CB-CB 4.22Å; L98-N120 WeakPolarHBondContact CB-OD1 3.09Å; L98-N120 WeakPolarHBondContact CG-OD1 3.39Å; L98-N120 PolarHBondContact N-OD1 2.93Å; L98-Q121 CarbonylContact O-C 3.38Å; L98-Q121 VanDerWaalsContact O-CA 3.29Å; L98-Q121 WeakPolarHBondContact O-CA 3.29Å; L98-Q121 PolarHBondContact O-N 3.06Å; L98-I122 HydrophobicContact CB-CG1 4.24Å; L98-I122 WeakPolarHBondContact O-CG1 3.25Å; L98-I122 PolarHBondContact O-N 3.07Å; L98-I122 VanDerWaalsContact O-N 3.11Å
99	T	96.9	Very high	96.6	Very high	63 Å²	63	41.2 Å²	41.2	39%	0.387	20%	0.203	S	C	.	.			trans	-92.8	-26.2	176.6	58.6	0	0	0	0	112.8	K97 Q121 I122 T123	K97-T99 PolarHBondContact O-N 3.11Å; T99-Q121 HydrophobicContact CG2-CB 4.27Å; T99-I122 VanDerWaalsContact O-CA 3.31Å; T99-I122 WeakPolarHBondContact O-CA 3.3Å; T99-T123 PolarHBondContact O-N 3.37Å
100	D	95	Very high	96.4	Very high	89 Å²	89	41.4 Å²	41.4	48%	0.476	21%	0.21	S	C	.	.			trans	-149.1	157.5	-171.1	-60.1	-83	0	0	0	110.2
101	L	96.4	Very high	96.4	Very high	12 Å²	12	42 Å²	42	6%	0.063	22%	0.217	C	C	.	.			trans	-119.8	113.9	174.5	-61.3	176.5	0	0	0	108.7	I77 F106 L117 I122 I125 C129 F130	I77-L101 HydrophobicContact CD1-CD2 3.96Å; L101-F106 HydrophobicContact CD2-CE2 4.38Å; L101-F106 HydrophobicContact CD2-CZ 4.26Å; L101-L117 HydrophobicContact CD1-CD1 3.96Å; L101-L117 HydrophobicContact CD2-CD1 4.29Å; L101-L117 HydrophobicContact CD2-CD2 4.21Å; L101-I122 HydrophobicContact CD1-CD1 4.18Å; L101-I122 HydrophobicContact CD2-CD1 4.02Å; L101-I122 HydrophobicContact CG-CD1 4.09Å; L101-I122 HydrophobicContact CG-CG2 4.39Å; L101-I125 HydrophobicContact CD1-CD1 3.81Å; L101-C129 HydrophobicContact CB-CB 4.39Å; L101-C129 HydrophobicContact CD1-CB 4.46Å; L101-C129 PolarHBondContact O-SG 2.59Å; L101-C129 VanDerWaalsContact O-SG 3.35Å; L101-F130 HydrophobicContact CD1-CE1 4.19Å; L101-F130 HydrophobicContact CD1-CZ 4.22Å
102	P	95.8	Very high	96.4	Very high	61 Å²	61	42 Å²	42	40%	0.396	22%	0.217	S	C	.	.			trans	-58.8	153.2	177.3	-24.6	34.8	0	0	0	112.6	I77 R104 V105	I77-P102 WeakPolarHBondContact O-CG 3.29Å; P102-R104 PolarHBondContact O-N 2.98Å; P102-V105 HydrophobicContact CB-CB 4.24Å; P102-V105 WeakPolarHBondContact O-CG1 3.39Å; P102-V105 PolarHBondContact O-N 3.17Å
103	E	95	Very high	96.4	Very high	106 Å²	106	44.2 Å²	44.2	50%	0.495	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	135.2	173.2	-68.9	-158.1	153.3	0	0	110.3	V105 K128	E103-V105 PolarHBondContact O-N 2.97Å; E103-V105 VanDerWaalsContact O-N 3.12Å; E103-K128 HydrophobicContact CB-CB 4.06Å; E103-K128 HydrophobicContact CG-CB 4.19Å; E103-K128 IonicContact OE1-NZ 2.7Å; E103-K128 PolarHBondContact OE1-NZ 2.94Å; E103-K128 IonicContact OE2-NZ 3.17Å; E103-K128 PolarHBondContact OE2-NZ 3.28Å
104	R	95.1	Very high	96.4	Very high	109 Å²	109	46 Å²	46	41%	0.411	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	16.7	175.6	-58.9	173.4	170.6	-171.4	-2.1	115.5	P102 F106 E107 K128 H131	P102-R104 PolarHBondContact O-N 2.98Å; R104-F106 PolarHBondContact O-N 3.26Å; R104-F106 VanDerWaalsContact O-N 3.07Å; R104-E107 HydrophobicContact CB-CB 4.01Å; R104-E107 WeakPolarHBondContact CD-OE2 3.41Å; R104-E107 WeakPolarHBondContact O-CB 3.43Å; R104-E107 PolarHBondContact O-N 3.21Å; R104-K128 WeakPolarHBondContact CA-O 3.14Å; R104-K128 HydrophobicContact CG-CB 4.06Å; R104-K128 HydrophobicContact CG-CD 4.4Å; R104-K128 PolarHBondContact N-O 3.03Å; R104-H131 HydrophobicContact CG-CB 4.35Å
105	V	96.3	Very high	96.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.9	-178.3	68.9	0	0	0	0	113.9	I77 F82 P102 E103	I77-V105 HydrophobicContact CB-CG2 4.25Å; I77-V105 HydrophobicContact CD1-CG1 4.07Å; I77-V105 HydrophobicContact CD1-CG2 3.78Å; I77-V105 HydrophobicContact CG1-CG2 3.9Å; F82-V105 HydrophobicContact CD2-CG2 4.36Å; F82-V105 WeakPolarHBondContact CD2-O 3.35Å; F82-V105 HydrophobicContact CE2-CG2 4.05Å; P102-V105 HydrophobicContact CB-CB 4.24Å; P102-V105 WeakPolarHBondContact O-CG1 3.39Å; P102-V105 PolarHBondContact O-N 3.17Å; E103-V105 PolarHBondContact O-N 2.97Å; E103-V105 VanDerWaalsContact O-N 3.12Å
106	F	96.5	Very high	96.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	5.6	177.4	-51.7	-60.2	0	0	0	114.4	I77 F82 L91 L93 L101 R104 P108 L109 L115 L117 C129 F130 M133	I77-F106 HydrophobicContact CD1-CE1 3.81Å; I77-F106 HydrophobicContact CD1-CZ 3.62Å; F82-F106 HydrophobicContact CE2-CD1 4.22Å; F82-F106 HydrophobicContact CE2-CE1 4.11Å; F82-F106 HydrophobicContact CZ-CE1 4.18Å; L91-F106 HydrophobicContact CD2-CD1 4.29Å; L91-F106 HydrophobicContact CD2-CE1 4.1Å; L93-F106 HydrophobicContact CD1-CE1 4.27Å; L101-F106 HydrophobicContact CD2-CE2 4.38Å; L101-F106 HydrophobicContact CD2-CZ 4.26Å; R104-F106 PolarHBondContact O-N 3.26Å; R104-F106 VanDerWaalsContact O-N 3.07Å; F106-P108 VanDerWaalsContact C-N 3.3Å; F106-L109 HydrophobicContact CB-CD1 4.3Å; F106-L109 HydrophobicContact CD1-CD1 3.94Å; F106-L109 WeakPolarHBondContact O-CB 3.4Å; F106-L109 PolarHBondContact O-N 3.3Å; F106-L115 HydrophobicContact CD2-CD2 3.92Å; F106-L115 HydrophobicContact CE1-CD1 4.35Å; F106-L115 HydrophobicContact CE2-CD2 3.84Å; F106-L115 HydrophobicContact CG-CD2 4.35Å; F106-L115 HydrophobicContact CZ-CD1 4.37Å; F106-L115 HydrophobicContact CZ-CD2 4.18Å; F106-L117 HydrophobicContact CE2-CD1 4.04Å; F106-L117 HydrophobicContact CZ-CD1 4.05Å; F106-L117 HydrophobicContact CZ-CD2 4.17Å; F106-C129 WeakPolarHBondContact CD2-O 3.47Å; F106-F130 HydrophobicContact CD2-CD1 4.23Å; F106-F130 HydrophobicContact CE2-CD1 4.46Å; F106-F130 HydrophobicContact CE2-CE1 4.28Å; F106-M133 HydrophobicContact CB-CE 4.2Å; F106-M133 HydrophobicContact CB-CG 4.22Å; F106-M133 HydrophobicContact CB-SD 3.59Å; F106-M133 VanDerWaalsContact CB-SD 3.59Å; F106-M133 HydrophobicContact CD2-CE 4.29Å; F106-M133 HydrophobicContact CG-SD 4.28Å
107	E	94.6	Very high	96.6	Very high	80 Å²	80	40.7 Å²	40.7	37%	0.374	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-33.1	180	-176	171.9	-139.8	0	0	114.2	R104 L109 H131	R104-E107 HydrophobicContact CB-CB 4.01Å; R104-E107 WeakPolarHBondContact CD-OE2 3.41Å; R104-E107 WeakPolarHBondContact O-CB 3.43Å; R104-E107 PolarHBondContact O-N 3.21Å; E107-L109 PolarHBondContact O-N 2.89Å; E107-H131 IonicContact OE1-CD2 3.15Å
108	P	94.3	Very high	96.7	Very high	24 Å²	24	36.3 Å²	36.3	16%	0.156	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.3	172.7	-24	35.8	0	0	0	115.3	F82 L86 F106 S110	F82-P108 HydrophobicContact CB-CB 4.35Å; F82-P108 HydrophobicContact CB-CG 4.43Å; L86-P108 WeakPolarHBondContact CD2-O 3.47Å; F106-P108 VanDerWaalsContact C-N 3.3Å; P108-S110 VanDerWaalsContact C-N 3.34Å; P108-S110 PolarHBondContact O-N 2.98Å
109	L	95.7	Very high	96.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.			trans	-93	54.7	-169.8	-56.6	179.9	0	0	0	112.2	F82 L85 L88 L91 F106 E107 S111 L112	F82-L109 HydrophobicContact CB-CD1 4.37Å; F82-L109 HydrophobicContact CB-CD2 3.86Å; F82-L109 HydrophobicContact CB-CG 4.06Å; F82-L109 HydrophobicContact CD1-CD1 3.95Å; F82-L109 HydrophobicContact CD1-CD2 4.27Å; F82-L109 HydrophobicContact CD1-CG 4.48Å; F82-L109 HydrophobicContact CG-CD1 4.1Å; F82-L109 HydrophobicContact CG-CD2 4.36Å; F82-L109 HydrophobicContact CG-CG 4.35Å; L85-L109 HydrophobicContact CB-CD2 3.78Å; L88-L109 HydrophobicContact CB-CD2 4.14Å; L88-L109 HydrophobicContact CD2-CD1 4.2Å; L88-L109 HydrophobicContact CD2-CD2 3.79Å; L91-L109 HydrophobicContact CD2-CD1 3.74Å; F106-L109 HydrophobicContact CB-CD1 4.3Å; F106-L109 HydrophobicContact CD1-CD1 3.94Å; F106-L109 WeakPolarHBondContact O-CB 3.4Å; F106-L109 PolarHBondContact O-N 3.3Å; E107-L109 PolarHBondContact O-N 2.89Å; L109-S111 PolarHBondContact O-N 3.49Å; L109-S111 VanDerWaalsContact O-N 3.11Å; L109-L112 HydrophobicContact CB-CB 4.02Å; L109-L112 HydrophobicContact CB-CD2 4.39Å; L109-L112 HydrophobicContact CD1-CD2 4.09Å; L109-L112 VanDerWaalsContact O-CB 3.25Å; L109-L112 WeakPolarHBondContact O-CB 3.42Å; L109-L112 PolarHBondContact O-N 3.24Å
110	S	93.2	Very high	96.8	Very high	54 Å²	54	35.7 Å²	35.7	38%	0.378	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.3	-170.5	57.9	0	0	0	0	115.8	P108	P108-S110 VanDerWaalsContact C-N 3.34Å; P108-S110 PolarHBondContact O-N 2.98Å
111	S	96.6	Very high	96.9	Very high	44 Å²	44	35.5 Å²	35.5	31%	0.308	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	4.4	176.9	-55.8	0	0	0	0	114.2	L86 L88 L109 K113	L86-S111 VanDerWaalsContact O-CB 3.22Å; L86-S111 WeakPolarHBondContact O-CB 3.02Å; L86-S111 PolarHBondContact O-OG 2.96Å; L88-S111 CarbonylContact O-C 3.41Å; L109-S111 PolarHBondContact O-N 3.49Å; L109-S111 VanDerWaalsContact O-N 3.11Å; S111-K113 PolarHBondContact O-N 2.89Å
112	L	98.1	Very high	97	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.			trans	-68	126.4	-173.3	-160.6	74.3	0	0	0	111.4	L88 L91 L109 L115 M133 Q135 L136	L88-L112 HydrophobicContact CB-CD1 4.38Å; L88-L112 HydrophobicContact CD2-CD1 4.03Å; L88-L112 HydrophobicContact CG-CD1 4Å; L88-L112 WeakPolarHBondContact O-CA 3.26Å; L88-L112 PolarHBondContact O-N 3.07Å; L88-L112 VanDerWaalsContact O-N 3.13Å; L91-L112 HydrophobicContact CB-CD1 3.86Å; L91-L112 HydrophobicContact CB-CD2 4.33Å; L109-L112 HydrophobicContact CB-CB 4.02Å; L109-L112 HydrophobicContact CB-CD2 4.39Å; L109-L112 HydrophobicContact CD1-CD2 4.09Å; L109-L112 VanDerWaalsContact O-CB 3.25Å; L109-L112 WeakPolarHBondContact O-CB 3.42Å; L109-L112 PolarHBondContact O-N 3.24Å; L112-L115 HydrophobicContact CD2-CB 3.95Å; L112-L115 HydrophobicContact CD2-CD1 4.28Å; L112-L115 HydrophobicContact CD2-CD2 4.41Å; L112-L115 HydrophobicContact CD2-CG 4.45Å; L112-M133 HydrophobicContact CB-SD 4.47Å; L112-M133 HydrophobicContact CD2-SD 3.75Å; L112-Q135 CarbonylContact O-C 3.1Å; L112-L136 HydrophobicContact CD2-CD1 4.19Å; L112-L136 HydrophobicContact CG-CD1 4.27Å; L112-L136 VanDerWaalsContact O-CA 3.31Å; L112-L136 WeakPolarHBondContact O-CA 3.34Å; L112-L136 PolarHBondContact O-N 2.88Å
113	K	98.5	Very high	97.1	Very high	66 Å²	66	35 Å²	35	29%	0.287	18%	0.182	S	C	.	.			trans	-105.1	-38.7	177.4	-66	171	-176.7	165.7	0	111.7	E89 S111 L136 E137 R138	E89-K113 PolarHBondContact O-N 3.44Å; E89-K113 IonicContact OE2-NZ 2.77Å; E89-K113 PolarHBondContact OE2-NZ 2.92Å; S111-K113 PolarHBondContact O-N 2.89Å; K113-L136 WeakPolarHBondContact O-CD1 3.26Å; K113-E137 HydrophobicContact CB-CB 4.46Å; K113-E137 HydrophobicContact CB-CG 4.26Å; K113-E137 HydrophobicContact CG-CG 4.45Å; K113-E137 WeakPolarHBondContact O-CA 3.38Å; K113-E137 PolarHBondContact O-N 2.87Å; K113-R138 PolarHBondContact O-N 2.77Å
114	N	98.8	Very high	97.2	Very high	37 Å²	37	34.6 Å²	34.6	20%	0.198	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.1	-176	-68.4	3.5	0	0	0	110.6	E89 M90 L91 R138	E89-N114 PolarHBondContact O-N 3.17Å; M90-N114 WeakPolarHBondContact CA-O 3.27Å; M90-N114 HydrophobicContact CE-CB 4.24Å; M90-N114 HydrophobicContact CG-CB 4.44Å; M90-N114 HydrophobicContact SD-CB 3.31Å; M90-N114 WeakPolarHBondContact SD-CB 3.45Å; L91-N114 PolarHBondContact N-O 2.91Å; N114-R138 WeakPolarHBondContact OD1-CD 3.5Å; N114-R138 PolarHBondContact OD1-NH1 3.34Å
115	L	98.8	Very high	97.4	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	115.3	174.4	179.6	55.8	0	0	0	110.1	L91 F106 L112 L117 F130 M133 L136 R138 L139 Y140	L91-L115 HydrophobicContact CB-CD1 4.08Å; L91-L115 HydrophobicContact CD2-CD1 3.94Å; L91-L115 HydrophobicContact CG-CD1 4.01Å; L91-L115 WeakPolarHBondContact O-CA 3.34Å; F106-L115 HydrophobicContact CD2-CD2 3.92Å; F106-L115 HydrophobicContact CE1-CD1 4.35Å; F106-L115 HydrophobicContact CE2-CD2 3.84Å; F106-L115 HydrophobicContact CG-CD2 4.35Å; F106-L115 HydrophobicContact CZ-CD1 4.37Å; F106-L115 HydrophobicContact CZ-CD2 4.18Å; L112-L115 HydrophobicContact CD2-CB 3.95Å; L112-L115 HydrophobicContact CD2-CD1 4.28Å; L112-L115 HydrophobicContact CD2-CD2 4.41Å; L112-L115 HydrophobicContact CD2-CG 4.45Å; L115-L117 HydrophobicContact CD1-CD1 4.26Å; L115-L117 HydrophobicContact CD1-CG 4.05Å; L115-L117 HydrophobicContact CD2-CD1 3.85Å; L115-L117 HydrophobicContact CG-CD1 3.93Å; L115-L117 HydrophobicContact CG-CG 4.06Å; L115-F130 HydrophobicContact CD2-CD1 4.37Å; L115-F130 HydrophobicContact CD2-CE1 4.23Å; L115-M133 HydrophobicContact CD2-CE 3.95Å; L115-M133 HydrophobicContact CD2-SD 4.31Å; L115-L136 HydrophobicContact CB-CD1 3.93Å; L115-R138 PolarHBondContact N-O 3.35Å; L115-L139 HydrophobicContact CB-CD1 4.18Å; L115-L139 HydrophobicContact CD2-CD1 4.01Å; L115-L139 HydrophobicContact CG-CD1 4.13Å; L115-Y140 PolarHBondContact O-N 3.46Å
116	D	98.8	Very high	97.4	Very high	15 Å²	15	30.1 Å²	30.1	8%	0.08	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116.5	171.8	-160.1	-26	0	0	0	111.1	L91 D92 L93 S94 S118 Y140	L91-D116 PolarHBondContact O-N 3.35Å; D92-D116 HydrophobicContact CB-CB 4.45Å; L93-D116 CarbonylContact C-O 3.57Å; L93-D116 WeakPolarHBondContact CA-O 3.24Å; L93-D116 PolarHBondContact N-O 2.64Å; S94-D116 PolarHBondContact N-O 2.6Å; D116-S118 WeakPolarHBondContact OD1-CB 3.12Å; D116-S118 PolarHBondContact OD1-N 2.91Å; D116-S118 PolarHBondContact OD1-OG 2.81Å; D116-Y140 HydrophobicContact CB-CD2 4.17Å; D116-Y140 WeakPolarHBondContact OD2-CD2 3.34Å
117	L	98.8	Very high	97.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.			trans	-121.2	14.3	176.3	-71.6	165.1	0	0	0	111.1	L93 L98 L101 F106 L115 N120 I122 F130 Y140 L141 N144	L93-L117 HydrophobicContact CB-CD2 3.9Å; L93-L117 HydrophobicContact CD1-CD2 3.98Å; L98-L117 HydrophobicContact CD1-CD2 3.88Å; L101-L117 HydrophobicContact CD1-CD1 3.96Å; L101-L117 HydrophobicContact CD2-CD1 4.29Å; L101-L117 HydrophobicContact CD2-CD2 4.21Å; F106-L117 HydrophobicContact CE2-CD1 4.04Å; F106-L117 HydrophobicContact CZ-CD1 4.05Å; F106-L117 HydrophobicContact CZ-CD2 4.17Å; L115-L117 HydrophobicContact CD1-CD1 4.26Å; L115-L117 HydrophobicContact CD1-CG 4.05Å; L115-L117 HydrophobicContact CD2-CD1 3.85Å; L115-L117 HydrophobicContact CG-CD1 3.93Å; L115-L117 HydrophobicContact CG-CG 4.06Å; L117-N120 PolarHBondContact O-ND2 2.93Å; L117-I122 HydrophobicContact CB-CD1 4.13Å; L117-F130 HydrophobicContact CD1-CE1 4.19Å; L117-Y140 CarbonylContact C-O 3.44Å; L117-Y140 WeakPolarHBondContact CA-O 3.42Å; L117-Y140 PolarHBondContact N-O 2.94Å; L117-L141 HydrophobicContact CB-CD2 3.9Å; L117-L141 HydrophobicContact CD1-CD2 4Å; L117-N144 PolarHBondContact O-ND2 2.65Å
118	S	98.8	Very high	97.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.007	18%	0.178	C	C	.	.			trans	-67.6	159.6	-175.8	66.3	0	0	0	0	113.5	S94 Q95 D116 N120 Y140 Y142	S94-S118 CarbonylContact C-O 3.57Å; S94-S118 WeakPolarHBondContact CA-O 3.16Å; S94-S118 WeakPolarHBondContact CB-O 3.45Å; S94-S118 WeakPolarHBondContact CB-OG 3.45Å; Q95-S118 PolarHBondContact N-O 3.33Å; D116-S118 WeakPolarHBondContact OD1-CB 3.12Å; D116-S118 PolarHBondContact OD1-N 2.91Å; D116-S118 PolarHBondContact OD1-OG 2.81Å; S118-N120 PolarHBondContact O-N 2.97Å; S118-N120 PolarHBondContact O-ND2 2.85Å; S118-Y140 PolarHBondContact N-O 3.48Å; S118-Y142 CarbonylContact C-O 3.58Å; S118-Y142 WeakPolarHBondContact CA-O 3.14Å; S118-Y142 VanDerWaalsContact CB-O 3.24Å; S118-Y142 WeakPolarHBondContact CB-O 3.5Å; S118-Y142 WeakPolarHBondContact OG-CE1 3.44Å; S118-Y142 PolarHBondContact OG-OH 3.47Å
119	S	98.4	Very high	97.4	Very high	44 Å²	44	32.5 Å²	32.5	31%	0.308	17%	0.17	S	C	.	.	S	Bend	trans	56.1	37.2	178.6	-49.4	0	0	0	0	113.3	Q95 Y142 S143	Q95-S119 VanDerWaalsContact CA-O 3.24Å; Q95-S119 WeakPolarHBondContact CA-O 3.38Å; Q95-S119 PolarHBondContact N-O 2.77Å; S119-Y142 PolarHBondContact N-O 3.32Å; S119-S143 WeakPolarHBondContact CA-O 3.47Å; S119-S143 PolarHBondContact N-O 3.03Å
120	N	98.6	Very high	97.4	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.032	17%	0.171	C	C	.	.	S	Bend	trans	-106.6	-161.4	171.6	-85.1	-80.4	0	0	0	109.4	L93 N96 K97 L98 L117 S118 I122 N144	L93-N120 PolarHBondContact O-ND2 3.18Å; N96-N120 VanDerWaalsContact CA-OD1 3.28Å; N96-N120 WeakPolarHBondContact CA-OD1 3.37Å; N96-N120 WeakPolarHBondContact CB-OD1 3.28Å; N96-N120 PolarHBondContact N-OD1 2.96Å; N96-N120 PolarHBondContact O-OD1 3.25Å; K97-N120 PolarHBondContact N-OD1 3.07Å; L98-N120 HydrophobicContact CB-CB 4.22Å; L98-N120 WeakPolarHBondContact CB-OD1 3.09Å; L98-N120 WeakPolarHBondContact CG-OD1 3.39Å; L98-N120 PolarHBondContact N-OD1 2.93Å; L117-N120 PolarHBondContact O-ND2 2.93Å; S118-N120 PolarHBondContact O-N 2.97Å; S118-N120 PolarHBondContact O-ND2 2.85Å; N120-I122 HydrophobicContact CB-CD1 4.24Å; N120-I122 HydrophobicContact CB-CG1 4.11Å; N120-N144 VanDerWaalsContact CA-OD1 3.28Å; N120-N144 WeakPolarHBondContact CA-OD1 3.46Å; N120-N144 WeakPolarHBondContact CB-OD1 3.17Å; N120-N144 PolarHBondContact N-OD1 2.98Å; N120-N144 PolarHBondContact O-OD1 3.04Å
121	Q	98.3	Very high	97.5	Very high	85 Å²	85	34.3 Å²	34.3	40%	0.397	17%	0.173	S	C	.	.			trans	-119	23.2	-179.7	-65.7	172.9	61.5	0	0	112	L98 T99 T123 N144	L98-Q121 CarbonylContact O-C 3.38Å; L98-Q121 VanDerWaalsContact O-CA 3.29Å; L98-Q121 WeakPolarHBondContact O-CA 3.29Å; L98-Q121 PolarHBondContact O-N 3.06Å; T99-Q121 HydrophobicContact CG2-CB 4.27Å; Q121-T123 PolarHBondContact O-N 2.81Å; Q121-N144 PolarHBondContact N-OD1 3.13Å
122	I	98.4	Very high	97.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.			trans	-64.8	128.2	-171.1	-57.4	166.3	0	0	0	110.2	L98 T99 L101 L117 N120 I125 N144 H145 I146	L98-I122 HydrophobicContact CB-CG1 4.24Å; L98-I122 WeakPolarHBondContact O-CG1 3.25Å; L98-I122 PolarHBondContact O-N 3.07Å; L98-I122 VanDerWaalsContact O-N 3.11Å; T99-I122 VanDerWaalsContact O-CA 3.31Å; T99-I122 WeakPolarHBondContact O-CA 3.3Å; L101-I122 HydrophobicContact CD1-CD1 4.18Å; L101-I122 HydrophobicContact CD2-CD1 4.02Å; L101-I122 HydrophobicContact CG-CD1 4.09Å; L101-I122 HydrophobicContact CG-CG2 4.39Å; L117-I122 HydrophobicContact CB-CD1 4.13Å; N120-I122 HydrophobicContact CB-CD1 4.24Å; N120-I122 HydrophobicContact CB-CG1 4.11Å; I122-I125 HydrophobicContact CG2-CD1 3.86Å; I122-N144 HydrophobicContact CB-CB 4.36Å; I122-N144 WeakPolarHBondContact CB-OD1 3.45Å; I122-N144 WeakPolarHBondContact CG1-OD1 3.37Å; I122-N144 PolarHBondContact N-OD1 3.11Å; I122-H145 CarbonylContact O-C 3.35Å; I122-H145 WeakPolarHBondContact O-CA 3.31Å; I122-H145 PolarHBondContact O-N 2.75Å; I122-I146 HydrophobicContact CB-CG1 4.33Å; I122-I146 HydrophobicContact CG2-CG1 4.19Å; I122-I146 VanDerWaalsContact O-CG1 3.3Å; I122-I146 WeakPolarHBondContact O-CG1 3.22Å; I122-I146 PolarHBondContact O-N 3.16Å
123	T	97.6	Very high	97	Very high	61 Å²	61	33.8 Å²	33.8	37%	0.374	17%	0.173	S	C	.	.			trans	-103.6	-27.3	-176.3	64.7	0	0	0	0	114.5	T99 Q121 H145 I146 E147	T99-T123 PolarHBondContact O-N 3.37Å; Q121-T123 PolarHBondContact O-N 2.81Å; T123-H145 HydrophobicContact CG2-CB 4.34Å; T123-I146 WeakPolarHBondContact O-CA 3.49Å; T123-E147 PolarHBondContact O-N 3.27Å
124	Y	97.6	Very high	96.8	Very high	98 Å²	98	33.7 Å²	33.7	38%	0.384	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	144.1	-175	178.9	-113.8	0	0	0	112	K148	Y124-K148 HydrophobicContact CD2-CB 3.89Å; Y124-K148 VanDerWaalsContact CD2-O 3.25Å; Y124-K148 WeakPolarHBondContact CD2-O 3.2Å; Y124-K148 HydrophobicContact CE2-CB 4.13Å
125	I	98	Very high	96.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114.7	171.8	-55	-61.9	0	0	0	108.9	L101 I122 C129 F130 L141 I146 K148 I149 H150 A153	L101-I125 HydrophobicContact CD1-CD1 3.81Å; I122-I125 HydrophobicContact CG2-CD1 3.86Å; I125-C129 HydrophobicContact CG2-CB 4.2Å; I125-F130 HydrophobicContact CD1-CZ 4.24Å; I125-F130 HydrophobicContact CG2-CD2 4.22Å; I125-F130 HydrophobicContact CG2-CE2 3.53Å; I125-F130 HydrophobicContact CG2-CZ 4.15Å; I125-L141 HydrophobicContact CD1-CD2 4.17Å; I125-I146 HydrophobicContact CD1-CD1 4.07Å; I125-I146 HydrophobicContact CG1-CD1 4.05Å; I125-I146 HydrophobicContact CG1-CG2 4.1Å; I125-K148 PolarHBondContact N-O 3.3Å; I125-I149 HydrophobicContact CB-CB 4.38Å; I125-I149 HydrophobicContact CB-CG1 4.13Å; I125-I149 HydrophobicContact CB-CG2 4.09Å; I125-I149 HydrophobicContact CG1-CG1 4.09Å; I125-I149 HydrophobicContact CG2-CG2 4.21Å; I125-H150 PolarHBondContact O-N 3.11Å; I125-A153 HydrophobicContact CG2-CB 3.8Å
126	S	96.8	Very high	96.7	Very high	16 Å²	16	36 Å²	36	11%	0.112	19%	0.189	C	C	.	.			trans	-78.5	168.3	178.2	83.9	0	0	0	0	112.9	K128 C129 A153	S126-K128 PolarHBondContact O-N 3.34Å; S126-K128 PolarHBondContact OG-N 2.93Å; S126-C129 PolarHBondContact N-SG 3.21Å; S126-C129 PolarHBondContact O-N 3.48Å; S126-C129 PolarHBondContact OG-N 2.89Å; S126-C129 PolarHBondContact OG-SG 2.84Å; S126-A153 WeakPolarHBondContact O-CB 3.44Å
127	E	96.1	Very high	96.7	Very high	97 Å²	97	37.8 Å²	37.8	45%	0.453	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-40.4	175.6	-168.5	178.1	139.6	0	0	113.1	H150 A152	E127-H150 HydrophobicContact CB-CB 4.49Å; E127-H150 VanDerWaalsContact CB-ND1 3.33Å; E127-H150 WeakPolarHBondContact CB-ND1 3.13Å; E127-H150 IonicContact OE2-CE1 2.83Å; E127-H150 PolarHBondContact OE2-CE1 2.79Å; E127-H150 IonicContact OE2-ND1 2.82Å; E127-A152 HydrophobicContact CG-CB 4Å
128	K	95.8	Very high	96.7	Very high	56 Å²	56	40.6 Å²	40.6	24%	0.243	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	7.2	-169	-46.4	-164.9	-159.7	81	0	113.7	E103 R104 S126 F130 H131	E103-K128 HydrophobicContact CB-CB 4.06Å; E103-K128 HydrophobicContact CG-CB 4.19Å; E103-K128 IonicContact OE1-NZ 2.7Å; E103-K128 PolarHBondContact OE1-NZ 2.94Å; E103-K128 IonicContact OE2-NZ 3.17Å; E103-K128 PolarHBondContact OE2-NZ 3.28Å; R104-K128 WeakPolarHBondContact CA-O 3.14Å; R104-K128 HydrophobicContact CG-CB 4.06Å; R104-K128 HydrophobicContact CG-CD 4.4Å; R104-K128 PolarHBondContact N-O 3.03Å; S126-K128 PolarHBondContact O-N 3.34Å; S126-K128 PolarHBondContact OG-N 2.93Å; K128-F130 PolarHBondContact O-N 3.37Å; K128-H131 HydrophobicContact CB-CB 4.32Å; K128-H131 PolarHBondContact O-N 3.39Å
129	C	94.8	Very high	96.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-39	178	-72.8	0	0	0	0	111.9	L101 F106 I125 S126	L101-C129 HydrophobicContact CB-CB 4.39Å; L101-C129 HydrophobicContact CD1-CB 4.46Å; L101-C129 PolarHBondContact O-SG 2.59Å; L101-C129 VanDerWaalsContact O-SG 3.35Å; F106-C129 WeakPolarHBondContact CD2-O 3.47Å; I125-C129 HydrophobicContact CG2-CB 4.2Å; S126-C129 PolarHBondContact N-SG 3.21Å; S126-C129 PolarHBondContact O-N 3.48Å; S126-C129 PolarHBondContact OG-N 2.89Å; S126-C129 PolarHBondContact OG-SG 2.84Å
130	F	95.9	Very high	96.7	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.013	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	18.6	-176.7	-51.8	-51.8	0	0	0	114.3	L101 F106 L115 L117 I125 K128 M133 L139 L141 F154 L157	L101-F130 HydrophobicContact CD1-CE1 4.19Å; L101-F130 HydrophobicContact CD1-CZ 4.22Å; F106-F130 HydrophobicContact CD2-CD1 4.23Å; F106-F130 HydrophobicContact CE2-CD1 4.46Å; F106-F130 HydrophobicContact CE2-CE1 4.28Å; L115-F130 HydrophobicContact CD2-CD1 4.37Å; L115-F130 HydrophobicContact CD2-CE1 4.23Å; L117-F130 HydrophobicContact CD1-CE1 4.19Å; I125-F130 HydrophobicContact CD1-CZ 4.24Å; I125-F130 HydrophobicContact CG2-CD2 4.22Å; I125-F130 HydrophobicContact CG2-CE2 3.53Å; I125-F130 HydrophobicContact CG2-CZ 4.15Å; K128-F130 PolarHBondContact O-N 3.37Å; F130-M133 HydrophobicContact CB-CE 3.67Å; F130-M133 HydrophobicContact CD1-CE 3.58Å; F130-M133 HydrophobicContact CG-CE 4.03Å; F130-L139 HydrophobicContact CD2-CD2 4.01Å; F130-L139 HydrophobicContact CE1-CD1 4.03Å; F130-L139 HydrophobicContact CE1-CD2 4.32Å; F130-L139 HydrophobicContact CE2-CD2 3.75Å; F130-L139 HydrophobicContact CG-CD2 4.4Å; F130-L139 HydrophobicContact CZ-CD1 4.13Å; F130-L139 HydrophobicContact CZ-CD2 3.93Å; F130-L141 HydrophobicContact CE2-CD1 4.16Å; F130-L141 HydrophobicContact CZ-CD1 3.91Å; F130-L141 HydrophobicContact CZ-CD2 4.22Å; F130-F154 AromaticContact CD2-CD1 3.97Å; F130-F154 HydrophobicContact CD2-CD1 3.97Å; F130-F154 AromaticContact CD2-CE1 3.99Å; F130-F154 HydrophobicContact CD2-CE1 3.99Å; F130-F154 HydrophobicContact CE2-CD1 4.23Å; F130-F154 AromaticContact CE2-CE1 3.75Å; F130-F154 HydrophobicContact CE2-CE1 3.75Å; F130-L157 HydrophobicContact CB-CD1 4.23Å; F130-L157 HydrophobicContact CB-CD2 4.35Å
131	H	94	Very high	96.7	Very high	90 Å²	90	40.1 Å²	40.1	42%	0.417	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	143.6	177.9	-161.5	75.6	0	0	0	111.2	R104 E107 K128	R104-H131 HydrophobicContact CG-CB 4.35Å; E107-H131 IonicContact OE1-CD2 3.15Å; K128-H131 HydrophobicContact CB-CB 4.32Å; K128-H131 PolarHBondContact O-N 3.39Å
132	G	90.3	Very high	96.8	Very high	29 Å²	29	39.1 Å²	39.1	30%	0.299	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	5.2	177.7	0	0	0	0	0	116.2	P134	G132-P134 WeakPolarHBondContact O-CD 3.49Å
133	M	94.8	Very high	96.8	Very high	3 Å²	3	42 Å²	42	2%	0.015	21%	0.211	C	C	.	.			trans	-109.3	63.9	-179.5	-61.2	-163.9	-65.2	0	0	114.2	F106 L112 L115 F130 Q135 L136 L157	F106-M133 HydrophobicContact CB-CE 4.2Å; F106-M133 HydrophobicContact CB-CG 4.22Å; F106-M133 HydrophobicContact CB-SD 3.59Å; F106-M133 VanDerWaalsContact CB-SD 3.59Å; F106-M133 HydrophobicContact CD2-CE 4.29Å; F106-M133 HydrophobicContact CG-SD 4.28Å; L112-M133 HydrophobicContact CB-SD 4.47Å; L112-M133 HydrophobicContact CD2-SD 3.75Å; L115-M133 HydrophobicContact CD2-CE 3.95Å; L115-M133 HydrophobicContact CD2-SD 4.31Å; F130-M133 HydrophobicContact CB-CE 3.67Å; F130-M133 HydrophobicContact CD1-CE 3.58Å; F130-M133 HydrophobicContact CG-CE 4.03Å; M133-Q135 PolarHBondContact O-N 2.98Å; M133-L136 HydrophobicContact CB-CB 4.29Å; M133-L136 HydrophobicContact CE-CD2 3.9Å; M133-L136 PolarHBondContact O-N 2.85Å; M133-L136 HydrophobicContact SD-CD1 4.32Å; M133-L157 HydrophobicContact CB-CD2 4.35Å; M133-L157 WeakPolarHBondContact O-CD2 3.49Å
134	P	93.9	Very high	96.8	Very high	64 Å²	64	39.4 Å²	39.4	42%	0.416	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.3	-176.5	32.1	-37.4	0	0	0	113.7	G132 N159	G132-P134 WeakPolarHBondContact O-CD 3.49Å; P134-N159 PolarHBondContact O-ND2 2.86Å
135	Q	97.4	Very high	96.8	Very high	89 Å²	89	40 Å²	40	42%	0.416	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	1.2	179.6	-63	-59.3	-79.4	0	0	113.6	L112 M133 E137	L112-Q135 CarbonylContact O-C 3.1Å; M133-Q135 PolarHBondContact O-N 2.98Å; Q135-E137 PolarHBondContact O-N 2.94Å
136	L	98.4	Very high	96.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.			trans	-67.3	119.1	-173.9	-160.5	74.9	0	0	0	111.5	L112 K113 L115 M133 L139 L157 N159 L160	L112-L136 HydrophobicContact CD2-CD1 4.19Å; L112-L136 HydrophobicContact CG-CD1 4.27Å; L112-L136 VanDerWaalsContact O-CA 3.31Å; L112-L136 WeakPolarHBondContact O-CA 3.34Å; L112-L136 PolarHBondContact O-N 2.88Å; K113-L136 WeakPolarHBondContact O-CD1 3.26Å; L115-L136 HydrophobicContact CB-CD1 3.93Å; M133-L136 HydrophobicContact CB-CB 4.29Å; M133-L136 HydrophobicContact CE-CD2 3.9Å; M133-L136 PolarHBondContact O-N 2.85Å; M133-L136 HydrophobicContact SD-CD1 4.32Å; L136-L139 HydrophobicContact CD2-CB 3.99Å; L136-L139 HydrophobicContact CD2-CD1 4.38Å; L136-L139 HydrophobicContact CD2-CD2 4.32Å; L136-L139 HydrophobicContact CD2-CG 4.47Å; L136-L157 HydrophobicContact CB-CD2 4.26Å; L136-L157 HydrophobicContact CD2-CD1 4.36Å; L136-L157 HydrophobicContact CD2-CD2 4.27Å; L136-N159 CarbonylContact O-C 3.26Å; L136-L160 HydrophobicContact CB-CD1 4.41Å; L136-L160 HydrophobicContact CD2-CD1 3.98Å; L136-L160 HydrophobicContact CG-CD1 4.02Å; L136-L160 VanDerWaalsContact O-CA 3.25Å; L136-L160 WeakPolarHBondContact O-CA 3.16Å; L136-L160 PolarHBondContact O-N 2.94Å; L136-L160 VanDerWaalsContact O-N 3.11Å
137	E	98.7	Very high	96.8	Very high	51 Å²	51	44.5 Å²	44.5	24%	0.238	22%	0.221	C	C	.	.			trans	-97.9	-34.5	177	-66.4	176.3	-162.9	0	0	112	K113 Q135 L161 E162	K113-E137 HydrophobicContact CB-CB 4.46Å; K113-E137 HydrophobicContact CB-CG 4.26Å; K113-E137 HydrophobicContact CG-CG 4.45Å; K113-E137 WeakPolarHBondContact O-CA 3.38Å; K113-E137 PolarHBondContact O-N 2.87Å; Q135-E137 PolarHBondContact O-N 2.94Å; E137-L161 HydrophobicContact CB-CD1 4.25Å; E137-L161 HydrophobicContact CB-CG 4.31Å; E137-L161 HydrophobicContact CG-CD1 4.32Å; E137-L161 WeakPolarHBondContact O-CA 3.48Å; E137-L161 PolarHBondContact O-N 3.06Å; E137-E162 PolarHBondContact O-N 2.6Å
138	R	98.9	Very high	96.8	Very high	60 Å²	60	45.8 Å²	45.8	23%	0.226	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	124.8	-173.1	-57.4	-180	-173.4	69	11.9	111.4	K113 N114 L115 Y140 E162	K113-R138 PolarHBondContact O-N 2.77Å; N114-R138 WeakPolarHBondContact OD1-CD 3.5Å; N114-R138 PolarHBondContact OD1-NH1 3.34Å; L115-R138 PolarHBondContact N-O 3.35Å; R138-Y140 HydrophobicContact CB-CE1 4.1Å; R138-E162 HydrophobicContact CB-CB 4.45Å; R138-E162 VanDerWaalsContact CD-OE1 3.26Å; R138-E162 WeakPolarHBondContact CD-OE1 3.43Å; R138-E162 HydrophobicContact CG-CB 4.13Å; R138-E162 HydrophobicContact CG-CG 4.25Å; R138-E162 IonicContact CZ-OE1 3.21Å; R138-E162 IonicContact NE-OE1 2.73Å; R138-E162 PolarHBondContact NE-OE1 3.49Å
139	L	98.8	Very high	96.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	114.6	177.5	-179.9	55.8	0	0	0	110.6	L115 F130 L136 L141 F154 L157 L160 E162 L163 K164	L115-L139 HydrophobicContact CB-CD1 4.18Å; L115-L139 HydrophobicContact CD2-CD1 4.01Å; L115-L139 HydrophobicContact CG-CD1 4.13Å; F130-L139 HydrophobicContact CD2-CD2 4.01Å; F130-L139 HydrophobicContact CE1-CD1 4.03Å; F130-L139 HydrophobicContact CE1-CD2 4.32Å; F130-L139 HydrophobicContact CE2-CD2 3.75Å; F130-L139 HydrophobicContact CG-CD2 4.4Å; F130-L139 HydrophobicContact CZ-CD1 4.13Å; F130-L139 HydrophobicContact CZ-CD2 3.93Å; L136-L139 HydrophobicContact CD2-CB 3.99Å; L136-L139 HydrophobicContact CD2-CD1 4.38Å; L136-L139 HydrophobicContact CD2-CD2 4.32Å; L136-L139 HydrophobicContact CD2-CG 4.47Å; L139-L141 HydrophobicContact CD1-CD1 4.27Å; L139-L141 HydrophobicContact CD1-CG 4.17Å; L139-L141 HydrophobicContact CD2-CD1 4Å; L139-L141 HydrophobicContact CG-CD1 3.95Å; L139-L141 HydrophobicContact CG-CG 4.2Å; L139-F154 HydrophobicContact CD2-CD1 4.19Å; L139-F154 HydrophobicContact CD2-CE1 3.78Å; L139-L157 HydrophobicContact CD2-CD1 4.38Å; L139-L160 HydrophobicContact CB-CD1 3.89Å; L139-L160 HydrophobicContact CB-CD2 4.49Å; L139-E162 PolarHBondContact N-O 3.03Å; L139-L163 HydrophobicContact CB-CD1 4.15Å; L139-L163 HydrophobicContact CD2-CD1 4.1Å; L139-L163 HydrophobicContact CG-CD1 4.13Å; L139-K164 PolarHBondContact O-N 2.96Å; L139-K164 VanDerWaalsContact O-N 3.08Å
140	Y	98.9	Very high	96.9	Very high	40 Å²	40	46.5 Å²	46.5	16%	0.157	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.2	-178.8	-56	-24.1	0	0	0	110.8	L115 D116 L117 S118 R138 Y142 E162 K164	L115-Y140 PolarHBondContact O-N 3.46Å; D116-Y140 HydrophobicContact CB-CD2 4.17Å; D116-Y140 WeakPolarHBondContact OD2-CD2 3.34Å; L117-Y140 CarbonylContact C-O 3.44Å; L117-Y140 WeakPolarHBondContact CA-O 3.42Å; L117-Y140 PolarHBondContact N-O 2.94Å; S118-Y140 PolarHBondContact N-O 3.48Å; R138-Y140 HydrophobicContact CB-CE1 4.1Å; Y140-Y142 HydrophobicContact CD2-CE1 4.5Å; Y140-Y142 HydrophobicContact CG-CE1 4.26Å; Y140-E162 HydrophobicContact CE1-CB 4.19Å; Y140-E162 PolarHBondContact OH-OE2 3.41Å; Y140-E162 VanDerWaalsContact OH-OE2 3.08Å; Y140-K164 HydrophobicContact CD1-CB 3.85Å; Y140-K164 HydrophobicContact CD1-CD 3.63Å; Y140-K164 HydrophobicContact CD1-CG 3.87Å; Y140-K164 HydrophobicContact CE1-CD 3.55Å; Y140-K164 HydrophobicContact CE1-CG 4.06Å; Y140-K164 VanDerWaalsContact CE1-NZ 3.28Å; Y140-K164 HydrophobicContact CG-CD 4.44Å; Y140-K164 VanDerWaalsContact CZ-NZ 3.34Å; Y140-K164 PolarHBondContact OH-NZ 3.09Å
141	L	98.8	Very high	96.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.253	C	S	.	.			trans	-127.1	11.3	-176.6	-73	164.8	0	0	0	111.8	L117 I125 F130 L139 N144 I146 K164 L165 N168	L117-L141 HydrophobicContact CB-CD2 3.9Å; L117-L141 HydrophobicContact CD1-CD2 4Å; I125-L141 HydrophobicContact CD1-CD2 4.17Å; F130-L141 HydrophobicContact CE2-CD1 4.16Å; F130-L141 HydrophobicContact CZ-CD1 3.91Å; F130-L141 HydrophobicContact CZ-CD2 4.22Å; L139-L141 HydrophobicContact CD1-CD1 4.27Å; L139-L141 HydrophobicContact CD1-CG 4.17Å; L139-L141 HydrophobicContact CD2-CD1 4Å; L139-L141 HydrophobicContact CG-CD1 3.95Å; L139-L141 HydrophobicContact CG-CG 4.2Å; L141-N144 PolarHBondContact O-ND2 2.82Å; L141-I146 HydrophobicContact CB-CD1 4.02Å; L141-I146 HydrophobicContact CD2-CD1 4.26Å; L141-K164 CarbonylContact C-O 3.52Å; L141-K164 WeakPolarHBondContact CA-O 3.24Å; L141-K164 PolarHBondContact N-O 3.14Å; L141-L165 HydrophobicContact CB-CD2 3.77Å; L141-L165 HydrophobicContact CD1-CD2 3.9Å; L141-N168 PolarHBondContact O-ND2 3.01Å
142	Y	98.6	Very high	96.8	Very high	64 Å²	64	46.9 Å²	46.9	25%	0.251	24%	0.242	S	C	.	.			trans	-67.9	156.7	-175.6	67.6	-93.2	0	0	0	113	S118 S119 Y140 N144 K164 Q166	S118-Y142 CarbonylContact C-O 3.58Å; S118-Y142 WeakPolarHBondContact CA-O 3.14Å; S118-Y142 VanDerWaalsContact CB-O 3.24Å; S118-Y142 WeakPolarHBondContact CB-O 3.5Å; S118-Y142 WeakPolarHBondContact OG-CE1 3.44Å; S118-Y142 PolarHBondContact OG-OH 3.47Å; S119-Y142 PolarHBondContact N-O 3.32Å; Y140-Y142 HydrophobicContact CD2-CE1 4.5Å; Y140-Y142 HydrophobicContact CG-CE1 4.26Å; Y142-N144 PolarHBondContact O-N 3.22Å; Y142-N144 PolarHBondContact O-ND2 3.49Å; Y142-K164 HydrophobicContact CD1-CB 4.06Å; Y142-K164 PolarHBondContact N-O 3.43Å; Y142-Q166 CarbonylContact C-O 3.46Å; Y142-Q166 WeakPolarHBondContact CA-O 3.31Å; Y142-Q166 VanDerWaalsContact CB-NE2 3.28Å; Y142-Q166 WeakPolarHBondContact CB-O 3.45Å; Y142-Q166 VanDerWaalsContact CG-NE2 3.29Å
143	S	98.4	Very high	97.1	Very high	61 Å²	61	45.7 Å²	45.7	43%	0.427	23%	0.229	S	C	.	.	S	Bend	trans	54.3	49.5	-176.7	-57.4	0	0	0	0	112.8	S119 Q166 G167	S119-S143 WeakPolarHBondContact CA-O 3.47Å; S119-S143 PolarHBondContact N-O 3.03Å; S143-Q166 PolarHBondContact N-O 2.95Å; S143-G167 VanDerWaalsContact CA-O 3.26Å; S143-G167 WeakPolarHBondContact CA-O 3.13Å; S143-G167 PolarHBondContact N-O 2.91Å
144	N	98.7	Very high	97.1	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.037	23%	0.229	C	C	.	.	S	Bend	trans	-118.9	-169.4	170.9	-85.7	-82.3	0	0	0	108.9	L117 N120 Q121 I122 L141 Y142 I146 G167 N168	L117-N144 PolarHBondContact O-ND2 2.65Å; N120-N144 VanDerWaalsContact CA-OD1 3.28Å; N120-N144 WeakPolarHBondContact CA-OD1 3.46Å; N120-N144 WeakPolarHBondContact CB-OD1 3.17Å; N120-N144 PolarHBondContact N-OD1 2.98Å; N120-N144 PolarHBondContact O-OD1 3.04Å; Q121-N144 PolarHBondContact N-OD1 3.13Å; I122-N144 HydrophobicContact CB-CB 4.36Å; I122-N144 WeakPolarHBondContact CB-OD1 3.45Å; I122-N144 WeakPolarHBondContact CG1-OD1 3.37Å; I122-N144 PolarHBondContact N-OD1 3.11Å; L141-N144 PolarHBondContact O-ND2 2.82Å; Y142-N144 PolarHBondContact O-N 3.22Å; Y142-N144 PolarHBondContact O-ND2 3.49Å; N144-I146 HydrophobicContact CB-CD1 4.16Å; N144-I146 HydrophobicContact CB-CG1 3.92Å; N144-G167 PolarHBondContact N-O 2.99Å; N144-N168 WeakPolarHBondContact CA-OD1 3.21Å; N144-N168 WeakPolarHBondContact CB-OD1 3.49Å; N144-N168 PolarHBondContact N-OD1 2.89Å; N144-N168 PolarHBondContact O-OD1 3.23Å
145	H	97.9	Very high	97.1	Very high	110 Å²	110	47.7 Å²	47.7	51%	0.509	24%	0.236	S	C	.	.			trans	-111.5	30.4	176.6	-57.9	111.1	0	0	0	111.8	I122 T123 E147	I122-H145 CarbonylContact O-C 3.35Å; I122-H145 WeakPolarHBondContact O-CA 3.31Å; I122-H145 PolarHBondContact O-N 2.75Å; T123-H145 HydrophobicContact CG2-CB 4.34Å; H145-E147 PolarHBondContact O-N 2.99Å; H145-E147 VanDerWaalsContact O-N 3.07Å
146	I	98.3	Very high	96.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.			trans	-69.2	111.7	-170.3	-55.1	167.7	0	0	0	109.5	I122 T123 I125 L141 N144 I149 L165 N168 A169 L170	I122-I146 HydrophobicContact CB-CG1 4.33Å; I122-I146 HydrophobicContact CG2-CG1 4.19Å; I122-I146 VanDerWaalsContact O-CG1 3.3Å; I122-I146 WeakPolarHBondContact O-CG1 3.22Å; I122-I146 PolarHBondContact O-N 3.16Å; T123-I146 WeakPolarHBondContact O-CA 3.49Å; I125-I146 HydrophobicContact CD1-CD1 4.07Å; I125-I146 HydrophobicContact CG1-CD1 4.05Å; I125-I146 HydrophobicContact CG1-CG2 4.1Å; L141-I146 HydrophobicContact CB-CD1 4.02Å; L141-I146 HydrophobicContact CD2-CD1 4.26Å; N144-I146 HydrophobicContact CB-CD1 4.16Å; N144-I146 HydrophobicContact CB-CG1 3.92Å; I146-I149 HydrophobicContact CG2-CD1 4.41Å; I146-I149 HydrophobicContact CG2-CG1 3.8Å; I146-L165 HydrophobicContact CD1-CD2 4.47Å; I146-N168 HydrophobicContact CB-CB 4.32Å; I146-N168 VanDerWaalsContact CB-OD1 3.31Å; I146-N168 WeakPolarHBondContact CB-OD1 3.14Å; I146-N168 VanDerWaalsContact CG1-OD1 3.29Å; I146-N168 WeakPolarHBondContact CG1-OD1 3.22Å; I146-N168 PolarHBondContact N-OD1 3.35Å; I146-A169 CarbonylContact O-C 3.55Å; I146-A169 VanDerWaalsContact O-C 3.26Å; I146-A169 WeakPolarHBondContact O-CA 3.5Å; I146-A169 PolarHBondContact O-N 3.23Å; I146-L170 HydrophobicContact CB-CD2 4.38Å; I146-L170 HydrophobicContact CG2-CD2 3.8Å; I146-L170 WeakPolarHBondContact O-CD2 3.25Å; I146-L170 PolarHBondContact O-N 3.43Å
147	E	96.1	Very high	96.7	Very high	110 Å²	110	45.7 Å²	45.7	51%	0.514	24%	0.239	S	C	.	.			trans	-87.1	-36	176.1	-65.5	-175.6	-173.2	0	0	112	T123 H145 A169	T123-E147 PolarHBondContact O-N 3.27Å; H145-E147 PolarHBondContact O-N 2.99Å; H145-E147 VanDerWaalsContact O-N 3.07Å; E147-A169 HydrophobicContact CG-CB 3.96Å
148	K	95.5	Very high	96.4	Very high	124 Å²	124	49.4 Å²	49.4	54%	0.539	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	142.2	-170.4	-67.7	169.6	-170.2	155.1	0	111.1	Y124 I125	Y124-K148 HydrophobicContact CD2-CB 3.89Å; Y124-K148 VanDerWaalsContact CD2-O 3.25Å; Y124-K148 WeakPolarHBondContact CD2-O 3.2Å; Y124-K148 HydrophobicContact CE2-CB 4.13Å; I125-K148 PolarHBondContact N-O 3.3Å
149	I	97	Very high	96.4	Very high	15 Å²	15	48.6 Å²	48.6	8%	0.077	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.2	173.1	-61	167.9	0	0	0	107.2	I125 I146 A153 F154 L165 L170 P174	I125-I149 HydrophobicContact CB-CB 4.38Å; I125-I149 HydrophobicContact CB-CG1 4.13Å; I125-I149 HydrophobicContact CB-CG2 4.09Å; I125-I149 HydrophobicContact CG1-CG1 4.09Å; I125-I149 HydrophobicContact CG2-CG2 4.21Å; I146-I149 HydrophobicContact CG2-CD1 4.41Å; I146-I149 HydrophobicContact CG2-CG1 3.8Å; I149-A153 HydrophobicContact CG2-CB 3.67Å; I149-F154 HydrophobicContact CD1-CE2 4.26Å; I149-F154 HydrophobicContact CD1-CZ 4.14Å; I149-F154 HydrophobicContact CG2-CD2 4.43Å; I149-F154 HydrophobicContact CG2-CE2 3.75Å; I149-F154 HydrophobicContact CG2-CZ 4.02Å; I149-L165 HydrophobicContact CD1-CD1 4.17Å; I149-L165 HydrophobicContact CD1-CD2 3.96Å; I149-L170 HydrophobicContact CD1-CD1 4.01Å; I149-L170 HydrophobicContact CD1-CD2 3.72Å; I149-L170 HydrophobicContact CG1-CD2 3.86Å; I149-P174 HydrophobicContact CB-CG 4.08Å; I149-P174 HydrophobicContact CG2-CB 4.29Å; I149-P174 HydrophobicContact CG2-CG 3.87Å
150	H	96.3	Very high	96.3	Very high	57 Å²	57	48.6 Å²	48.6	26%	0.264	26%	0.256	S	S	.	.			trans	-60.9	138.7	177	-167.4	-104	0	0	0	110.9	I125 E127 A152 A153	I125-H150 PolarHBondContact O-N 3.11Å; E127-H150 HydrophobicContact CB-CB 4.49Å; E127-H150 VanDerWaalsContact CB-ND1 3.33Å; E127-H150 WeakPolarHBondContact CB-ND1 3.13Å; E127-H150 IonicContact OE2-CE1 2.83Å; E127-H150 PolarHBondContact OE2-CE1 2.79Å; E127-H150 IonicContact OE2-ND1 2.82Å; H150-A152 PolarHBondContact O-N 3.38Å; H150-A153 HydrophobicContact CB-CB 4.17Å; H150-A153 VanDerWaalsContact O-CB 3.26Å; H150-A153 WeakPolarHBondContact O-CB 3.3Å; H150-A153 PolarHBondContact O-N 2.98Å
151	P	93.4	Very high	96.3	Very high	80 Å²	80	48.9 Å²	48.9	52%	0.519	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.7	-175.3	-28.7	36.4	0	0	0	115.5
152	A	94.4	Very high	96.3	Very high	21 Å²	21	50.9 Å²	50.9	17%	0.174	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	7.4	179.6	0	0	0	0	0	114.2	E127 H150 F154 N155	E127-A152 HydrophobicContact CG-CB 4Å; H150-A152 PolarHBondContact O-N 3.38Å; A152-F154 PolarHBondContact O-N 3.49Å; A152-F154 VanDerWaalsContact O-N 3.11Å; A152-N155 WeakPolarHBondContact CB-ND2 3.29Å; A152-N155 WeakPolarHBondContact O-CB 3.21Å; A152-N155 PolarHBondContact O-N 3.36Å
153	A	95.9	Very high	96.3	Very high	3 Å²	3	47.8 Å²	47.8	3%	0.025	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.4	-175	0	0	0	0	0	115.1	I125 S126 I149 H150	I125-A153 HydrophobicContact CG2-CB 3.8Å; S126-A153 WeakPolarHBondContact O-CB 3.44Å; I149-A153 HydrophobicContact CG2-CB 3.67Å; H150-A153 HydrophobicContact CB-CB 4.17Å; H150-A153 VanDerWaalsContact O-CB 3.26Å; H150-A153 WeakPolarHBondContact O-CB 3.3Å; H150-A153 PolarHBondContact O-N 2.98Å
154	F	95.8	Very high	96.4	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.026	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	8.8	-179.7	-55.1	-59.8	0	0	0	113.1	F130 L139 I149 A152 G156 L157 L163 P174 L176 L178	F130-F154 AromaticContact CD2-CD1 3.97Å; F130-F154 HydrophobicContact CD2-CD1 3.97Å; F130-F154 AromaticContact CD2-CE1 3.99Å; F130-F154 HydrophobicContact CD2-CE1 3.99Å; F130-F154 HydrophobicContact CE2-CD1 4.23Å; F130-F154 AromaticContact CE2-CE1 3.75Å; F130-F154 HydrophobicContact CE2-CE1 3.75Å; L139-F154 HydrophobicContact CD2-CD1 4.19Å; L139-F154 HydrophobicContact CD2-CE1 3.78Å; I149-F154 HydrophobicContact CD1-CE2 4.26Å; I149-F154 HydrophobicContact CD1-CZ 4.14Å; I149-F154 HydrophobicContact CG2-CD2 4.43Å; I149-F154 HydrophobicContact CG2-CE2 3.75Å; I149-F154 HydrophobicContact CG2-CZ 4.02Å; A152-F154 PolarHBondContact O-N 3.49Å; A152-F154 VanDerWaalsContact O-N 3.11Å; F154-G156 PolarHBondContact O-N 3Å; F154-L157 HydrophobicContact CB-CD1 4.13Å; F154-L157 HydrophobicContact CD1-CD1 3.84Å; F154-L157 HydrophobicContact CG-CD1 4.48Å; F154-L157 WeakPolarHBondContact O-CB 3.06Å; F154-L157 PolarHBondContact O-N 2.73Å; F154-L163 HydrophobicContact CE1-CD1 4.3Å; F154-L163 HydrophobicContact CE2-CD2 4.33Å; F154-L163 HydrophobicContact CZ-CD1 4.35Å; F154-L163 HydrophobicContact CZ-CD2 4.25Å; F154-P174 HydrophobicContact CD2-CG 4.23Å; F154-P174 HydrophobicContact CE2-CG 3.92Å; F154-L176 HydrophobicContact CD2-CD2 3.41Å; F154-L176 VanDerWaalsContact CD2-CD2 3.41Å; F154-L176 HydrophobicContact CE2-CD2 3.7Å; F154-L176 HydrophobicContact CG-CD2 4.42Å; F154-L178 HydrophobicContact CB-CD2 4.4Å
155	N	93.2	Very high	96.3	Very high	103 Å²	103	46.4 Å²	46.4	55%	0.551	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	132.4	178.1	-75	4	0	0	0	110.8	A152	A152-N155 WeakPolarHBondContact CB-ND2 3.29Å; A152-N155 WeakPolarHBondContact O-CB 3.21Å; A152-N155 PolarHBondContact O-N 3.36Å
156	G	90.5	Very high	96.4	Very high	45 Å²	45	42.5 Å²	42.5	46%	0.464	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-4.3	-178.2	0	0	0	0	0	115	F154 E158	F154-G156 PolarHBondContact O-N 3Å; G156-E158 PolarHBondContact O-N 3.49Å
157	L	95.9	Very high	96.3	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	24%	0.239	C	C	.	.			trans	-81.2	50.1	173.6	-54.7	-175.7	0	0	0	111.7	F130 M133 L136 L139 F154 N159 L160 L178	F130-L157 HydrophobicContact CB-CD1 4.23Å; F130-L157 HydrophobicContact CB-CD2 4.35Å; M133-L157 HydrophobicContact CB-CD2 4.35Å; M133-L157 WeakPolarHBondContact O-CD2 3.49Å; L136-L157 HydrophobicContact CB-CD2 4.26Å; L136-L157 HydrophobicContact CD2-CD1 4.36Å; L136-L157 HydrophobicContact CD2-CD2 4.27Å; L139-L157 HydrophobicContact CD2-CD1 4.38Å; F154-L157 HydrophobicContact CB-CD1 4.13Å; F154-L157 HydrophobicContact CD1-CD1 3.84Å; F154-L157 HydrophobicContact CG-CD1 4.48Å; F154-L157 WeakPolarHBondContact O-CB 3.06Å; F154-L157 PolarHBondContact O-N 2.73Å; L157-N159 PolarHBondContact O-N 2.78Å; L157-N159 VanDerWaalsContact O-N 3.14Å; L157-L160 HydrophobicContact CB-CB 4.25Å; L157-L160 HydrophobicContact CD1-CD2 4.46Å; L157-L160 WeakPolarHBondContact O-CB 3.5Å; L157-L160 PolarHBondContact O-N 2.98Å; L157-L160 VanDerWaalsContact O-N 3.13Å; L157-L178 HydrophobicContact CB-CD2 4.13Å
158	E	93.9	Very high	96.5	Very high	129 Å²	129	39.2 Å²	39.2	60%	0.603	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-19	-172.2	-63.3	-178.4	-172.7	0	0	114.1	G156 K180	G156-E158 PolarHBondContact O-N 3.49Å; E158-K180 WeakPolarHBondContact O-CG 3.37Å
159	N	97.3	Very high	96.5	Very high	43 Å²	43	35.2 Å²	35.2	23%	0.23	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	2.5	178.7	-68.9	-60	0	0	0	114.3	P134 L136 L157 L161 K180	P134-N159 PolarHBondContact O-ND2 2.86Å; L136-N159 CarbonylContact O-C 3.26Å; L157-N159 PolarHBondContact O-N 2.78Å; L157-N159 VanDerWaalsContact O-N 3.14Å; N159-L161 PolarHBondContact O-N 2.89Å; N159-K180 PolarHBondContact OD1-NZ 2.86Å
160	L	98.4	Very high	96.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.204	C	C	.	.			trans	-67.5	122.4	-176.1	-159	73.8	0	0	0	111.3	L136 L139 L157 L163 L178 K180 L181	L136-L160 HydrophobicContact CB-CD1 4.41Å; L136-L160 HydrophobicContact CD2-CD1 3.98Å; L136-L160 HydrophobicContact CG-CD1 4.02Å; L136-L160 VanDerWaalsContact O-CA 3.25Å; L136-L160 WeakPolarHBondContact O-CA 3.16Å; L136-L160 PolarHBondContact O-N 2.94Å; L136-L160 VanDerWaalsContact O-N 3.11Å; L139-L160 HydrophobicContact CB-CD1 3.89Å; L139-L160 HydrophobicContact CB-CD2 4.49Å; L157-L160 HydrophobicContact CB-CB 4.25Å; L157-L160 HydrophobicContact CD1-CD2 4.46Å; L157-L160 WeakPolarHBondContact O-CB 3.5Å; L157-L160 PolarHBondContact O-N 2.98Å; L157-L160 VanDerWaalsContact O-N 3.13Å; L160-L163 HydrophobicContact CD2-CB 4.07Å; L160-L163 HydrophobicContact CD2-CD1 4.42Å; L160-L178 HydrophobicContact CB-CD2 4.4Å; L160-L178 HydrophobicContact CD2-CD1 4.1Å; L160-L178 HydrophobicContact CD2-CD2 4.44Å; L160-K180 CarbonylContact O-C 3.58Å; L160-K180 VanDerWaalsContact O-C 3.25Å; L160-L181 HydrophobicContact CB-CD1 4.49Å; L160-L181 HydrophobicContact CD2-CD1 4.17Å; L160-L181 HydrophobicContact CG-CD1 4.16Å; L160-L181 WeakPolarHBondContact O-CA 3.48Å; L160-L181 PolarHBondContact O-N 3.21Å; L160-L181 VanDerWaalsContact O-N 3.16Å
161	L	98.6	Very high	96.4	Very high	45 Å²	45	35.6 Å²	35.6	24%	0.236	22%	0.215	C	C	.	.			trans	-102.2	-38.4	-179.9	-53.6	-179.8	0	0	0	111.6	E137 N159 K180 L182 L183	E137-L161 HydrophobicContact CB-CD1 4.25Å; E137-L161 HydrophobicContact CB-CG 4.31Å; E137-L161 HydrophobicContact CG-CD1 4.32Å; E137-L161 WeakPolarHBondContact O-CA 3.48Å; E137-L161 PolarHBondContact O-N 3.06Å; N159-L161 PolarHBondContact O-N 2.89Å; L161-K180 HydrophobicContact CD2-CB 3.97Å; L161-K180 WeakPolarHBondContact CD2-O 3.4Å; L161-L182 PolarHBondContact O-N 2.97Å; L161-L183 PolarHBondContact O-N 2.71Å
162	E	98.8	Very high	96.3	Very high	42 Å²	42	35.5 Å²	35.5	20%	0.196	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.2	-179.1	-58.7	-179.7	-125.7	0	0	111.9	E137 R138 L139 Y140 K164 L183	E137-E162 PolarHBondContact O-N 2.6Å; R138-E162 HydrophobicContact CB-CB 4.45Å; R138-E162 VanDerWaalsContact CD-OE1 3.26Å; R138-E162 WeakPolarHBondContact CD-OE1 3.43Å; R138-E162 HydrophobicContact CG-CB 4.13Å; R138-E162 HydrophobicContact CG-CG 4.25Å; R138-E162 IonicContact CZ-OE1 3.21Å; R138-E162 IonicContact NE-OE1 2.73Å; R138-E162 PolarHBondContact NE-OE1 3.49Å; L139-E162 PolarHBondContact N-O 3.03Å; Y140-E162 HydrophobicContact CE1-CB 4.19Å; Y140-E162 PolarHBondContact OH-OE2 3.41Å; Y140-E162 VanDerWaalsContact OH-OE2 3.08Å; E162-K164 VanDerWaalsContact OE2-CE 3.27Å; E162-K164 WeakPolarHBondContact OE2-CE 3.16Å; E162-K164 IonicContact OE2-NZ 3.35Å; E162-K164 PolarHBondContact OE2-NZ 2.85Å; E162-L183 HydrophobicContact CG-CB 4.32Å
163	L	98.8	Very high	96.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	117.8	171.3	-179.9	57.2	0	0	0	110.2	L139 F154 L160 L165 L176 L178 L181 L183 L184 D185	L139-L163 HydrophobicContact CB-CD1 4.15Å; L139-L163 HydrophobicContact CD2-CD1 4.1Å; L139-L163 HydrophobicContact CG-CD1 4.13Å; F154-L163 HydrophobicContact CE1-CD1 4.3Å; F154-L163 HydrophobicContact CE2-CD2 4.33Å; F154-L163 HydrophobicContact CZ-CD1 4.35Å; F154-L163 HydrophobicContact CZ-CD2 4.25Å; L160-L163 HydrophobicContact CD2-CB 4.07Å; L160-L163 HydrophobicContact CD2-CD1 4.42Å; L163-L165 HydrophobicContact CD1-CD1 4.16Å; L163-L165 HydrophobicContact CD1-CG 4.15Å; L163-L165 HydrophobicContact CD2-CD1 3.95Å; L163-L165 HydrophobicContact CG-CD1 3.93Å; L163-L165 HydrophobicContact CG-CG 4.23Å; L163-L176 HydrophobicContact CD2-CD1 4.3Å; L163-L176 HydrophobicContact CD2-CD2 4.31Å; L163-L178 HydrophobicContact CD2-CD1 4.22Å; L163-L181 HydrophobicContact CB-CD1 3.89Å; L163-L181 HydrophobicContact CB-CD2 4.48Å; L163-L183 PolarHBondContact N-O 3.14Å; L163-L184 HydrophobicContact CB-CD1 4.14Å; L163-L184 HydrophobicContact CD2-CD1 4.03Å; L163-L184 HydrophobicContact CG-CD1 4.09Å; L163-D185 PolarHBondContact O-N 3.43Å
164	K	98.8	Very high	95.9	Very high	38 Å²	38	35.1 Å²	35.1	17%	0.165	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	111.3	-177.5	-67	-178.7	-168.4	148.3	0	110.7	L139 Y140 L141 Y142 E162 L183 D185	L139-K164 PolarHBondContact O-N 2.96Å; L139-K164 VanDerWaalsContact O-N 3.08Å; Y140-K164 HydrophobicContact CD1-CB 3.85Å; Y140-K164 HydrophobicContact CD1-CD 3.63Å; Y140-K164 HydrophobicContact CD1-CG 3.87Å; Y140-K164 HydrophobicContact CE1-CD 3.55Å; Y140-K164 HydrophobicContact CE1-CG 4.06Å; Y140-K164 VanDerWaalsContact CE1-NZ 3.28Å; Y140-K164 HydrophobicContact CG-CD 4.44Å; Y140-K164 VanDerWaalsContact CZ-NZ 3.34Å; Y140-K164 PolarHBondContact OH-NZ 3.09Å; L141-K164 CarbonylContact C-O 3.52Å; L141-K164 WeakPolarHBondContact CA-O 3.24Å; L141-K164 PolarHBondContact N-O 3.14Å; Y142-K164 HydrophobicContact CD1-CB 4.06Å; Y142-K164 PolarHBondContact N-O 3.43Å; E162-K164 VanDerWaalsContact OE2-CE 3.27Å; E162-K164 WeakPolarHBondContact OE2-CE 3.16Å; E162-K164 IonicContact OE2-NZ 3.35Å; E162-K164 PolarHBondContact OE2-NZ 2.85Å; K164-L183 HydrophobicContact CG-CD2 4.02Å; K164-D185 HydrophobicContact CG-CB 4.19Å
165	L	98.5	Very high	95.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.225	C	C	.	.			trans	-124.3	9.2	-174	-77.8	165.6	0	0	0	112.3	L141 I146 I149 L163 N168 L170 D185 L186 N189	L141-L165 HydrophobicContact CB-CD2 3.77Å; L141-L165 HydrophobicContact CD1-CD2 3.9Å; I146-L165 HydrophobicContact CD1-CD2 4.47Å; I149-L165 HydrophobicContact CD1-CD1 4.17Å; I149-L165 HydrophobicContact CD1-CD2 3.96Å; L163-L165 HydrophobicContact CD1-CD1 4.16Å; L163-L165 HydrophobicContact CD1-CG 4.15Å; L163-L165 HydrophobicContact CD2-CD1 3.95Å; L163-L165 HydrophobicContact CG-CD1 3.93Å; L163-L165 HydrophobicContact CG-CG 4.23Å; L165-N168 PolarHBondContact O-ND2 2.96Å; L165-L170 HydrophobicContact CB-CD1 4.29Å; L165-L170 HydrophobicContact CD1-CD1 4.34Å; L165-L170 HydrophobicContact CD2-CD1 4.42Å; L165-D185 CarbonylContact C-O 3.36Å; L165-D185 WeakPolarHBondContact CA-O 3.47Å; L165-D185 PolarHBondContact N-O 3.29Å; L165-L186 HydrophobicContact CB-CD2 4.01Å; L165-L186 HydrophobicContact CD1-CD2 3.97Å; L165-N189 PolarHBondContact O-ND2 3.35Å
166	Q	98.4	Very high	95.7	Very high	29 Å²	29	33.3 Å²	33.3	14%	0.136	20%	0.198	C	C	.	.			trans	-65.2	149.5	-175.5	71.4	-77	4.1	0	0	113.8	Y142 S143 D185 R187	Y142-Q166 CarbonylContact C-O 3.46Å; Y142-Q166 WeakPolarHBondContact CA-O 3.31Å; Y142-Q166 VanDerWaalsContact CB-NE2 3.28Å; Y142-Q166 WeakPolarHBondContact CB-O 3.45Å; Y142-Q166 VanDerWaalsContact CG-NE2 3.29Å; S143-Q166 PolarHBondContact N-O 2.95Å; Q166-D185 WeakPolarHBondContact CB-OD1 3.43Å; Q166-D185 PolarHBondContact N-O 3.32Å; Q166-R187 CarbonylContact C-O 3.45Å; Q166-R187 WeakPolarHBondContact CA-O 3.31Å; Q166-R187 HydrophobicContact CB-CB 3.84Å; Q166-R187 WeakPolarHBondContact CB-O 3.28Å
167	G	97.8	Very high	95.8	Very high	27 Å²	27	34.2 Å²	34.2	28%	0.278	20%	0.198	S	C	.	.	S	Bend	trans	64.9	53.3	-177.8	0	0	0	0	0	112	S143 N144 R187 F188	S143-G167 VanDerWaalsContact CA-O 3.26Å; S143-G167 WeakPolarHBondContact CA-O 3.13Å; S143-G167 PolarHBondContact N-O 2.91Å; N144-G167 PolarHBondContact N-O 2.99Å; G167-R187 PolarHBondContact N-O 2.83Å; G167-F188 WeakPolarHBondContact CA-O 3.32Å; G167-F188 PolarHBondContact N-O 3.49Å
168	N	98.4	Very high	95.8	Very high	14 Å²	14	34.2 Å²	34.2	8%	0.075	20%	0.197	C	C	.	.	S	Bend	trans	-130.4	-177.6	174.1	-85.3	-73.6	0	0	0	109.1	L141 N144 I146 L165 L170 F188 N189	L141-N168 PolarHBondContact O-ND2 3.01Å; N144-N168 WeakPolarHBondContact CA-OD1 3.21Å; N144-N168 WeakPolarHBondContact CB-OD1 3.49Å; N144-N168 PolarHBondContact N-OD1 2.89Å; N144-N168 PolarHBondContact O-OD1 3.23Å; I146-N168 HydrophobicContact CB-CB 4.32Å; I146-N168 VanDerWaalsContact CB-OD1 3.31Å; I146-N168 WeakPolarHBondContact CB-OD1 3.14Å; I146-N168 VanDerWaalsContact CG1-OD1 3.29Å; I146-N168 WeakPolarHBondContact CG1-OD1 3.22Å; I146-N168 PolarHBondContact N-OD1 3.35Å; L165-N168 PolarHBondContact O-ND2 2.96Å; N168-L170 HydrophobicContact CB-CG 4.29Å; N168-F188 PolarHBondContact N-O 2.81Å; N168-N189 WeakPolarHBondContact CA-OD1 3.21Å; N168-N189 WeakPolarHBondContact CB-OD1 3.05Å; N168-N189 PolarHBondContact O-OD1 3.08Å
169	A	96.9	Very high	95.8	Very high	40 Å²	40	30.7 Å²	30.7	33%	0.331	19%	0.186	S	C	.	.			trans	-104.9	24.9	-178.3	0	0	0	0	0	113	I146 E147 T171	I146-A169 CarbonylContact O-C 3.55Å; I146-A169 VanDerWaalsContact O-C 3.26Å; I146-A169 WeakPolarHBondContact O-CA 3.5Å; I146-A169 PolarHBondContact O-N 3.23Å; E147-A169 HydrophobicContact CG-CB 3.96Å; A169-T171 PolarHBondContact O-N 2.83Å; A169-T171 VanDerWaalsContact O-N 3.16Å
170	L	96.3	Very high	95.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.196	C	C	.	.			trans	-65.4	118.4	-172.8	-61.5	173.5	0	0	0	111.2	I146 I149 L165 N168 L186 N189 V190 L191	I146-L170 HydrophobicContact CB-CD2 4.38Å; I146-L170 HydrophobicContact CG2-CD2 3.8Å; I146-L170 WeakPolarHBondContact O-CD2 3.25Å; I146-L170 PolarHBondContact O-N 3.43Å; I149-L170 HydrophobicContact CD1-CD1 4.01Å; I149-L170 HydrophobicContact CD1-CD2 3.72Å; I149-L170 HydrophobicContact CG1-CD2 3.86Å; L165-L170 HydrophobicContact CB-CD1 4.29Å; L165-L170 HydrophobicContact CD1-CD1 4.34Å; L165-L170 HydrophobicContact CD2-CD1 4.42Å; N168-L170 HydrophobicContact CB-CG 4.29Å; L170-L186 HydrophobicContact CD1-CD2 4.45Å; L170-N189 HydrophobicContact CB-CB 4.21Å; L170-N189 WeakPolarHBondContact CB-OD1 3.38Å; L170-N189 VanDerWaalsContact CG-OD1 3.29Å; L170-N189 WeakPolarHBondContact CG-OD1 3.41Å; L170-N189 PolarHBondContact N-OD1 3.11Å; L170-V190 CarbonylContact O-C 3.56Å; L170-V190 VanDerWaalsContact O-C 3.27Å; L170-V190 WeakPolarHBondContact O-CA 3.4Å; L170-V190 PolarHBondContact O-N 2.72Å; L170-L191 HydrophobicContact CB-CD2 4.35Å; L170-L191 WeakPolarHBondContact O-CD2 3.47Å
171	T	93.5	Very high	95.7	Very high	79 Å²	79	33.4 Å²	33.4	49%	0.485	20%	0.196	S	C	.	.	S	Bend	trans	-90.3	-20.1	173.5	54.2	0	0	0	0	113.3	A169 V190	A169-T171 PolarHBondContact O-N 2.83Å; A169-T171 VanDerWaalsContact O-N 3.16Å; T171-V190 VanDerWaalsContact CA-O 3.3Å; T171-V190 WeakPolarHBondContact CA-O 3.48Å
172	T	91.8	Very high	95.7	Very high	78 Å²	78	34 Å²	34	48%	0.479	20%	0.198	S	C	.	.	S	Bend	trans	-148.4	141.4	178.4	61.2	0	0	0	0	111.1
173	L	91.3	Very high	95.7	Very high	7 Å²	7	33.2 Å²	33.2	4%	0.037	20%	0.196	C	C	.	.			trans	-75.3	140.5	169.8	-158.6	74.7	0	0	0	110.5	L176 L186 L194 K198 L199	L173-L176 HydrophobicContact CD1-CD1 4.08Å; L173-L176 HydrophobicContact CD2-CD1 3.96Å; L173-L176 HydrophobicContact CD2-CG 4.15Å; L173-L176 HydrophobicContact CG-CD1 4.19Å; L173-L176 HydrophobicContact CG-CG 4.24Å; L173-L186 HydrophobicContact CD1-CD1 3.79Å; L173-L186 HydrophobicContact CD1-CD2 3.67Å; L173-L186 HydrophobicContact CD1-CG 4.41Å; L173-L194 HydrophobicContact CD2-CD2 4.41Å; L173-K198 HydrophobicContact CB-CD 4.28Å; L173-K198 HydrophobicContact CD2-CB 4.34Å; L173-K198 WeakPolarHBondContact O-CD 3.44Å; L173-K198 WeakPolarHBondContact O-CE 3.46Å; L173-K198 PolarHBondContact O-NZ 3.16Å; L173-L199 HydrophobicContact CD2-CD1 4.43Å
174	P	91.8	Very high	95.7	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.058	20%	0.196	C	C	.	.			trans	-69.8	-176.6	163.5	32.5	-37.1	0	0	0	111	I149 F154 L176	I149-P174 HydrophobicContact CB-CG 4.08Å; I149-P174 HydrophobicContact CG2-CB 4.29Å; I149-P174 HydrophobicContact CG2-CG 3.87Å; F154-P174 HydrophobicContact CD2-CG 4.23Å; F154-P174 HydrophobicContact CE2-CG 3.92Å; P174-L176 HydrophobicContact CG-CD2 3.98Å; P174-L176 PolarHBondContact O-N 2.76Å
175	L	90.6	Very high	95.7	Very high	72 Å²	72	31.5 Å²	31.5	38%	0.377	19%	0.188	S	C	.	.			trans	-76.1	116.6	168.1	176.4	61.2	0	0	0	109	S197 Q200	L175-S197 VanDerWaalsContact CD1-O 3.31Å; L175-S197 WeakPolarHBondContact CD1-O 3.31Å; L175-Q200 HydrophobicContact CD1-CG 4.41Å
176	L	93	Very high	95.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	93.2	173.8	-61.8	-170	0	0	0	109.5	F154 L163 L173 P174 L178 L184 K198 L199 Q200 T201	F154-L176 HydrophobicContact CD2-CD2 3.41Å; F154-L176 VanDerWaalsContact CD2-CD2 3.41Å; F154-L176 HydrophobicContact CE2-CD2 3.7Å; F154-L176 HydrophobicContact CG-CD2 4.42Å; L163-L176 HydrophobicContact CD2-CD1 4.3Å; L163-L176 HydrophobicContact CD2-CD2 4.31Å; L173-L176 HydrophobicContact CD1-CD1 4.08Å; L173-L176 HydrophobicContact CD2-CD1 3.96Å; L173-L176 HydrophobicContact CD2-CG 4.15Å; L173-L176 HydrophobicContact CG-CD1 4.19Å; L173-L176 HydrophobicContact CG-CG 4.24Å; P174-L176 HydrophobicContact CG-CD2 3.98Å; P174-L176 PolarHBondContact O-N 2.76Å; L176-L178 HydrophobicContact CB-CD1 4.27Å; L176-L178 HydrophobicContact CD2-CD1 4.21Å; L176-L184 HydrophobicContact CD1-CD1 4.13Å; L176-L184 HydrophobicContact CD1-CD2 3.81Å; L176-K198 PolarHBondContact N-O 2.98Å; L176-L199 HydrophobicContact CB-CD1 4.11Å; L176-L199 HydrophobicContact CD1-CD1 3.96Å; L176-Q200 CarbonylContact O-C 3.49Å; L176-Q200 WeakPolarHBondContact O-CA 3.31Å; L176-Q200 WeakPolarHBondContact O-CB 3.45Å; L176-Q200 PolarHBondContact O-N 3.36Å; L176-T201 HydrophobicContact CB-CG2 4.45Å
177	S	93.4	Very high	95.6	Very high	64 Å²	64	33.1 Å²	33.1	45%	0.448	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	80.8	171.1	-150.5	0	0	0	0	109.2	Q200	S177-Q200 PolarHBondContact OG-OE1 2.92Å
178	L	95	Very high	95.5	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	21%	0.205	C	C	.	.			trans	-128.5	89	-169.5	-62.1	169.7	0	0	0	108.8	F154 L157 L160 L163 L176 K180 L181 Q200 T201	F154-L178 HydrophobicContact CB-CD2 4.4Å; L157-L178 HydrophobicContact CB-CD2 4.13Å; L160-L178 HydrophobicContact CB-CD2 4.4Å; L160-L178 HydrophobicContact CD2-CD1 4.1Å; L160-L178 HydrophobicContact CD2-CD2 4.44Å; L163-L178 HydrophobicContact CD2-CD1 4.22Å; L176-L178 HydrophobicContact CB-CD1 4.27Å; L176-L178 HydrophobicContact CD2-CD1 4.21Å; L178-K180 VanDerWaalsContact C-N 3.29Å; L178-K180 PolarHBondContact O-N 2.92Å; L178-L181 HydrophobicContact CB-CB 3.83Å; L178-L181 HydrophobicContact CB-CD2 4.45Å; L178-L181 HydrophobicContact CD1-CD1 4.4Å; L178-L181 HydrophobicContact CD1-CD2 4.04Å; L178-L181 PolarHBondContact O-N 3.11Å; L178-Q200 PolarHBondContact N-O 3.19Å; L178-T201 HydrophobicContact CB-CG2 4.2Å
179	P	93.5	Very high	95.5	Very high	56 Å²	56	37.2 Å²	37.2	36%	0.364	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-22.1	-165.8	26.8	-35.1	0	0	0	114	N203	P179-N203 PolarHBondContact O-ND2 3.09Å
180	K	96.9	Very high	95.3	Very high	100 Å²	100	39.4 Å²	39.4	44%	0.435	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	4.5	178.4	-60.1	-168.7	-170.2	174	0	114.2	E158 N159 L160 L161 L178 L182	E158-K180 WeakPolarHBondContact O-CG 3.37Å; N159-K180 PolarHBondContact OD1-NZ 2.86Å; L160-K180 CarbonylContact O-C 3.58Å; L160-K180 VanDerWaalsContact O-C 3.25Å; L161-K180 HydrophobicContact CD2-CB 3.97Å; L161-K180 WeakPolarHBondContact CD2-O 3.4Å; L178-K180 VanDerWaalsContact C-N 3.29Å; L178-K180 PolarHBondContact O-N 2.92Å; K180-L182 PolarHBondContact O-N 2.85Å
181	L	97.9	Very high	95.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.			trans	-67.6	120.5	-176.3	-165.7	75.6	0	0	0	110.3	L160 L163 L178 L184 T201 N203 L204	L160-L181 HydrophobicContact CB-CD1 4.49Å; L160-L181 HydrophobicContact CD2-CD1 4.17Å; L160-L181 HydrophobicContact CG-CD1 4.16Å; L160-L181 WeakPolarHBondContact O-CA 3.48Å; L160-L181 PolarHBondContact O-N 3.21Å; L160-L181 VanDerWaalsContact O-N 3.16Å; L163-L181 HydrophobicContact CB-CD1 3.89Å; L163-L181 HydrophobicContact CB-CD2 4.48Å; L178-L181 HydrophobicContact CB-CB 3.83Å; L178-L181 HydrophobicContact CB-CD2 4.45Å; L178-L181 HydrophobicContact CD1-CD1 4.4Å; L178-L181 HydrophobicContact CD1-CD2 4.04Å; L178-L181 PolarHBondContact O-N 3.11Å; L181-L184 HydrophobicContact CD2-CB 4.04Å; L181-L184 HydrophobicContact CD2-CD1 4.46Å; L181-T201 HydrophobicContact CB-CG2 4.21Å; L181-T201 HydrophobicContact CD2-CG2 3.91Å; L181-N203 CarbonylContact O-C 3.55Å; L181-L204 HydrophobicContact CB-CD1 4.48Å; L181-L204 HydrophobicContact CD2-CD1 4Å; L181-L204 HydrophobicContact CG-CD1 4.05Å; L181-L204 VanDerWaalsContact O-CA 3.28Å; L181-L204 WeakPolarHBondContact O-CA 3.48Å; L181-L204 PolarHBondContact O-N 2.89Å
182	L	98.3	Very high	94.6	Very high	56 Å²	56	39 Å²	39	29%	0.293	21%	0.211	S	C	.	.			trans	-99.4	-36.9	178.9	-52	-177	0	0	0	111.2	L161 K180 N203 L204 E205 S206	L161-L182 PolarHBondContact O-N 2.97Å; K180-L182 PolarHBondContact O-N 2.85Å; L182-N203 HydrophobicContact CD2-CB 4.4Å; L182-N203 WeakPolarHBondContact CD2-O 3.14Å; L182-L204 WeakPolarHBondContact O-CD1 3.13Å; L182-E205 HydrophobicContact CD2-CG 4.39Å; L182-E205 PolarHBondContact O-N 3.18Å; L182-S206 PolarHBondContact O-N 2.89Å
183	L	98.6	Very high	94.2	Very high	27 Å²	27	39.1 Å²	39.1	14%	0.141	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.4	-178.2	-175.1	153.7	0	0	0	112.3	L161 E162 L163 K164 D185 S206	L161-L183 PolarHBondContact O-N 2.71Å; E162-L183 HydrophobicContact CG-CB 4.32Å; L163-L183 PolarHBondContact N-O 3.14Å; K164-L183 HydrophobicContact CG-CD2 4.02Å; L183-D185 HydrophobicContact CD2-CB 4.18Å; L183-S206 WeakPolarHBondContact CA-O 3.44Å
184	L	98.3	Very high	93.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	112.1	172.5	179.9	56.5	0	0	0	110.6	L163 L176 L181 L186 L199 L204 S206 L207 R208	L163-L184 HydrophobicContact CB-CD1 4.14Å; L163-L184 HydrophobicContact CD2-CD1 4.03Å; L163-L184 HydrophobicContact CG-CD1 4.09Å; L176-L184 HydrophobicContact CD1-CD1 4.13Å; L176-L184 HydrophobicContact CD1-CD2 3.81Å; L181-L184 HydrophobicContact CD2-CB 4.04Å; L181-L184 HydrophobicContact CD2-CD1 4.46Å; L184-L186 HydrophobicContact CD1-CD1 4.28Å; L184-L186 HydrophobicContact CD1-CD2 4.27Å; L184-L186 HydrophobicContact CD1-CG 3.97Å; L184-L186 HydrophobicContact CD2-CD1 3.89Å; L184-L186 HydrophobicContact CD2-CG 4.45Å; L184-L186 HydrophobicContact CG-CD1 3.94Å; L184-L186 HydrophobicContact CG-CG 3.98Å; L184-L199 HydrophobicContact CD2-CD1 3.56Å; L184-L204 HydrophobicContact CB-CD1 3.85Å; L184-L204 HydrophobicContact CB-CD2 4.36Å; L184-S206 PolarHBondContact N-O 3.13Å; L184-L207 HydrophobicContact CB-CD1 4.29Å; L184-L207 HydrophobicContact CD2-CD1 4.18Å; L184-L207 HydrophobicContact CG-CD1 4.3Å; L184-R208 PolarHBondContact O-N 2.78Å
185	D	98.6	Very high	93.1	Very high	2 Å²	2	43 Å²	43	1%	0.011	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	111.1	176.5	-161.6	-19.4	0	0	0	110.7	L163 K164 L165 Q166 L183 R187 R208	L163-D185 PolarHBondContact O-N 3.43Å; K164-D185 HydrophobicContact CG-CB 4.19Å; L165-D185 CarbonylContact C-O 3.36Å; L165-D185 WeakPolarHBondContact CA-O 3.47Å; L165-D185 PolarHBondContact N-O 3.29Å; Q166-D185 WeakPolarHBondContact CB-OD1 3.43Å; Q166-D185 PolarHBondContact N-O 3.32Å; L183-D185 HydrophobicContact CD2-CB 4.18Å; D185-R187 WeakPolarHBondContact OD1-CB 3.39Å; D185-R187 VanDerWaalsContact OD1-CG 3.25Å; D185-R187 WeakPolarHBondContact OD1-CG 3.26Å; D185-R187 IonicContact OD1-CZ 3.72Å; D185-R187 PolarHBondContact OD1-N 2.86Å; D185-R187 IonicContact OD1-NE 3.73Å; D185-R187 PolarHBondContact OD1-NE 3.04Å; D185-R187 IonicContact OD1-NH2 2.6Å; D185-R187 IonicContact OD2-CZ 2.65Å; D185-R187 IonicContact OD2-NE 3.15Å; D185-R187 PolarHBondContact OD2-NE 2.76Å; D185-R187 IonicContact OD2-NH2 2.71Å; D185-R187 PolarHBondContact OD2-NH2 2.68Å; D185-R208 HydrophobicContact CB-CB 4.37Å; D185-R208 WeakPolarHBondContact OD2-CD 3.36Å; D185-R208 IonicContact OD2-NH1 3.39Å
186	L	97.6	Very high	92.6	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	23%	0.229	C	C	.	.			trans	-116.4	9.5	-178.2	-69.9	165.9	0	0	0	112.1	L165 L170 L173 L184 N189 L191 R208 L209 V212	L165-L186 HydrophobicContact CB-CD2 4.01Å; L165-L186 HydrophobicContact CD1-CD2 3.97Å; L170-L186 HydrophobicContact CD1-CD2 4.45Å; L173-L186 HydrophobicContact CD1-CD1 3.79Å; L173-L186 HydrophobicContact CD1-CD2 3.67Å; L173-L186 HydrophobicContact CD1-CG 4.41Å; L184-L186 HydrophobicContact CD1-CD1 4.28Å; L184-L186 HydrophobicContact CD1-CD2 4.27Å; L184-L186 HydrophobicContact CD1-CG 3.97Å; L184-L186 HydrophobicContact CD2-CD1 3.89Å; L184-L186 HydrophobicContact CD2-CG 4.45Å; L184-L186 HydrophobicContact CG-CD1 3.94Å; L184-L186 HydrophobicContact CG-CG 3.98Å; L186-N189 WeakPolarHBondContact O-CB 3.46Å; L186-N189 PolarHBondContact O-ND2 3.03Å; L186-L191 HydrophobicContact CB-CD1 4.25Å; L186-L191 HydrophobicContact CD1-CD1 4.17Å; L186-L191 HydrophobicContact CD2-CD1 4.32Å; L186-R208 PolarHBondContact N-O 3.37Å; L186-L209 HydrophobicContact CB-CD2 4.1Å; L186-L209 HydrophobicContact CD1-CD2 3.84Å; L186-V212 WeakPolarHBondContact O-CG1 3.25Å
187	R	98	Very high	92.1	Very high	60 Å²	60	45.3 Å²	45.3	23%	0.226	26%	0.256	C	S	.	.			trans	-54.7	152.3	-171.6	-68.8	179.4	-68.4	171.9	1.9	113.6	Q166 G167 D185 N189 R208 G210 D232	Q166-R187 CarbonylContact C-O 3.45Å; Q166-R187 WeakPolarHBondContact CA-O 3.31Å; Q166-R187 HydrophobicContact CB-CB 3.84Å; Q166-R187 WeakPolarHBondContact CB-O 3.28Å; G167-R187 PolarHBondContact N-O 2.83Å; D185-R187 WeakPolarHBondContact OD1-CB 3.39Å; D185-R187 VanDerWaalsContact OD1-CG 3.25Å; D185-R187 WeakPolarHBondContact OD1-CG 3.26Å; D185-R187 IonicContact OD1-CZ 3.72Å; D185-R187 PolarHBondContact OD1-N 2.86Å; D185-R187 IonicContact OD1-NE 3.73Å; D185-R187 PolarHBondContact OD1-NE 3.04Å; D185-R187 IonicContact OD1-NH2 2.6Å; D185-R187 IonicContact OD2-CZ 2.65Å; D185-R187 IonicContact OD2-NE 3.15Å; D185-R187 PolarHBondContact OD2-NE 2.76Å; D185-R187 IonicContact OD2-NH2 2.71Å; D185-R187 PolarHBondContact OD2-NH2 2.68Å; R187-N189 VanDerWaalsContact C-N 3.33Å; R187-N189 PolarHBondContact O-N 3.27Å; R187-N189 PolarHBondContact O-ND2 3.12Å; R187-R208 HydrophobicContact CG-CB 3.82Å; R187-G210 CarbonylContact C-O 3.47Å; R187-G210 WeakPolarHBondContact CA-O 3.34Å; R187-G210 VanDerWaalsContact CB-O 3.31Å; R187-G210 WeakPolarHBondContact CB-O 3.48Å; R187-D232 WeakPolarHBondContact CD-OD2 3.16Å; R187-D232 IonicContact NH1-OD2 2.73Å
188	F	96.4	Very high	91.7	Very high	120 Å²	120	45.3 Å²	45.3	53%	0.526	25%	0.248	S	C	.	.	S	Bend	trans	52.6	49.6	177.3	-44.1	-65.8	0	0	0	113	G167 N168 G210	G167-F188 WeakPolarHBondContact CA-O 3.32Å; G167-F188 PolarHBondContact N-O 3.49Å; N168-F188 PolarHBondContact N-O 2.81Å; F188-G210 PolarHBondContact N-O 3.15Å
189	N	97	Very high	91.4	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.037	25%	0.252	C	S	.	.	S	Bend	trans	-118	-165.8	167	-82	-83.2	0	0	0	108.6	L165 N168 L170 L186 R187 L191 V212	L165-N189 PolarHBondContact O-ND2 3.35Å; N168-N189 WeakPolarHBondContact CA-OD1 3.21Å; N168-N189 WeakPolarHBondContact CB-OD1 3.05Å; N168-N189 PolarHBondContact O-OD1 3.08Å; L170-N189 HydrophobicContact CB-CB 4.21Å; L170-N189 WeakPolarHBondContact CB-OD1 3.38Å; L170-N189 VanDerWaalsContact CG-OD1 3.29Å; L170-N189 WeakPolarHBondContact CG-OD1 3.41Å; L170-N189 PolarHBondContact N-OD1 3.11Å; L186-N189 WeakPolarHBondContact O-CB 3.46Å; L186-N189 PolarHBondContact O-ND2 3.03Å; R187-N189 VanDerWaalsContact C-N 3.33Å; R187-N189 PolarHBondContact O-N 3.27Å; R187-N189 PolarHBondContact O-ND2 3.12Å; N189-L191 HydrophobicContact CB-CD1 4.41Å; N189-L191 HydrophobicContact CB-CG 4.27Å; N189-V212 HydrophobicContact CB-CG1 4.36Å; N189-V212 WeakPolarHBondContact O-CA 3.18Å
190	V	94.1	Very high	91.2	Very high	87 Å²	87	48.2 Å²	48.2	53%	0.527	26%	0.257	S	S	.	.			trans	-126.5	67.6	178.7	-168	0	0	0	0	110.2	L170 T171 P192 V212	L170-V190 CarbonylContact O-C 3.56Å; L170-V190 VanDerWaalsContact O-C 3.27Å; L170-V190 WeakPolarHBondContact O-CA 3.4Å; L170-V190 PolarHBondContact O-N 2.72Å; T171-V190 VanDerWaalsContact CA-O 3.3Å; T171-V190 WeakPolarHBondContact CA-O 3.48Å; V190-P192 VanDerWaalsContact C-CD 3.47Å; V190-P192 WeakPolarHBondContact O-CD 3.21Å; V190-V212 CarbonylContact C-O 3.51Å
191	L	91.5	Very high	91	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	24%	0.237	C	C	.	.			trans	-108.6	78.4	-176.1	-59.1	174.1	0	0	0	110.5	L170 L186 N189 S193 V212 L214	L170-L191 HydrophobicContact CB-CD2 4.35Å; L170-L191 WeakPolarHBondContact O-CD2 3.47Å; L186-L191 HydrophobicContact CB-CD1 4.25Å; L186-L191 HydrophobicContact CD1-CD1 4.17Å; L186-L191 HydrophobicContact CD2-CD1 4.32Å; N189-L191 HydrophobicContact CB-CD1 4.41Å; N189-L191 HydrophobicContact CB-CG 4.27Å; L191-S193 PolarHBondContact O-N 2.8Å; L191-V212 CarbonylContact C-O 3.5Å; L191-V212 HydrophobicContact CB-CB 4.09Å; L191-V212 HydrophobicContact CB-CG2 4.07Å; L191-V212 PolarHBondContact N-O 2.9Å; L191-L214 WeakPolarHBondContact O-CD2 3.25Å
192	P	82.5	Confident	90.7	Very high	68 Å²	68	47 Å²	47	44%	0.442	26%	0.259	S	S	.	.	S	Bend	trans	-66.8	-18.1	-175.5	28	-36.7	0	0	0	114	V190	V190-P192 VanDerWaalsContact C-CD 3.47Å; V190-P192 WeakPolarHBondContact O-CD 3.21Å
193	S	83	Confident	90.5	Very high	80 Å²	80	47.8 Å²	47.8	56%	0.559	26%	0.264	S	S	*	.			trans	-144.2	144.1	173.6	61.1	0	0	0	0	112.4	L191	L191-S193 PolarHBondContact O-N 2.8Å
194	L	83	Confident	90.4	Very high	22 Å²	22	46.5 Å²	46.5	12%	0.115	26%	0.257	C	S	.	.			trans	-121.7	123.8	174.7	-73.1	162.6	0	0	0	109.1	L173 L209 L214 L221	L173-L194 HydrophobicContact CD2-CD2 4.41Å; L194-L209 HydrophobicContact CD1-CD1 3.47Å; L194-L209 VanDerWaalsContact CD1-CD1 3.47Å; L194-L209 HydrophobicContact CD1-CD2 3.6Å; L194-L209 HydrophobicContact CD1-CG 4.14Å; L194-L214 HydrophobicContact CD1-CD1 4.34Å; L194-L214 HydrophobicContact CD1-CD2 4.01Å; L194-L214 HydrophobicContact CG-CD2 4.23Å; L194-L221 HydrophobicContact CB-CD2 4Å
195	N	78.2	Confident	90.3	Very high	77 Å²	77	50.4 Å²	50.4	41%	0.412	28%	0.275	S	S	.	.			trans	-105.3	139.3	-178.3	-66.4	-13	0	0	0	110.2	S197 K198	N195-S197 PolarHBondContact O-N 3.42Å; N195-K198 PolarHBondContact O-N 2.91Å
196	T	80.4	Confident	90.2	Very high	40 Å²	40	50.8 Å²	50.8	25%	0.245	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-48.9	-41.3	174.5	43.5	0	0	0	0	113.4	K198 L199 E220 L221	T196-K198 PolarHBondContact O-N 3.39Å; T196-K198 VanDerWaalsContact O-N 3.12Å; T196-L199 PolarHBondContact O-N 2.66Å; T196-E220 HydrophobicContact CG2-CB 3.65Å; T196-L221 HydrophobicContact CG2-CB 4.01Å
197	S	80.9	Confident	90.2	Very high	80 Å²	80	50.8 Å²	50.8	56%	0.559	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-64	-15	-179	56.9	0	0	0	0	115.2	L175 N195	L175-S197 VanDerWaalsContact CD1-O 3.31Å; L175-S197 WeakPolarHBondContact CD1-O 3.31Å; N195-S197 PolarHBondContact O-N 3.42Å
198	K	85.1	Confident	90.2	Very high	63 Å²	63	50.6 Å²	50.6	27%	0.274	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-95.4	-18.6	-179.5	-66.9	-171.8	164.7	-156.5	0	114.2	L173 L176 N195 T196	L173-K198 HydrophobicContact CB-CD 4.28Å; L173-K198 HydrophobicContact CD2-CB 4.34Å; L173-K198 WeakPolarHBondContact O-CD 3.44Å; L173-K198 WeakPolarHBondContact O-CE 3.46Å; L173-K198 PolarHBondContact O-NZ 3.16Å; L176-K198 PolarHBondContact N-O 2.98Å; N195-K198 PolarHBondContact O-N 2.91Å; T196-K198 PolarHBondContact O-N 3.39Å; T196-K198 VanDerWaalsContact O-N 3.12Å
199	L	89.2	Confident	90.2	Very high	21 Å²	21	44.9 Å²	44.9	11%	0.11	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	91.9	-173.3	-169.1	68.9	0	0	0	110.5	L173 L176 L184 T196 T201 L204 L221 L225	L173-L199 HydrophobicContact CD2-CD1 4.43Å; L176-L199 HydrophobicContact CB-CD1 4.11Å; L176-L199 HydrophobicContact CD1-CD1 3.96Å; L184-L199 HydrophobicContact CD2-CD1 3.56Å; T196-L199 PolarHBondContact O-N 2.66Å; L199-T201 HydrophobicContact CD1-CG2 3.7Å; L199-T201 HydrophobicContact CG-CG2 4.24Å; L199-T201 WeakPolarHBondContact CG-OG1 3.48Å; L199-L204 HydrophobicContact CD2-CD2 4.41Å; L199-L221 HydrophobicContact CB-CD1 4.06Å; L199-L221 HydrophobicContact CD2-CD1 3.97Å; L199-L225 HydrophobicContact CD2-CD1 4.44Å; L199-L225 HydrophobicContact CD2-CD2 4.38Å
200	Q	89.9	Confident	90.2	Very high	98 Å²	98	44.5 Å²	44.5	46%	0.458	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	66.2	176.3	-68.2	-179.7	-24.1	0	0	109.6	L175 L176 S177 L178	L175-Q200 HydrophobicContact CD1-CG 4.41Å; L176-Q200 CarbonylContact O-C 3.49Å; L176-Q200 WeakPolarHBondContact O-CA 3.31Å; L176-Q200 WeakPolarHBondContact O-CB 3.45Å; L176-Q200 PolarHBondContact O-N 3.36Å; S177-Q200 PolarHBondContact OG-OE1 2.92Å; L178-Q200 PolarHBondContact N-O 3.19Å
201	T	93.1	Very high	90.3	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	24%	0.236	C	C	.	.			trans	-125.8	76.5	-176.5	60	0	0	0	0	110.1	L176 L178 L181 L199 N203 L204	L176-T201 HydrophobicContact CB-CG2 4.45Å; L178-T201 HydrophobicContact CB-CG2 4.2Å; L181-T201 HydrophobicContact CB-CG2 4.21Å; L181-T201 HydrophobicContact CD2-CG2 3.91Å; L199-T201 HydrophobicContact CD1-CG2 3.7Å; L199-T201 HydrophobicContact CG-CG2 4.24Å; L199-T201 WeakPolarHBondContact CG-OG1 3.48Å; T201-N203 VanDerWaalsContact C-N 3.25Å; T201-N203 PolarHBondContact O-N 3.27Å; T201-L204 WeakPolarHBondContact O-CB 3.27Å; T201-L204 PolarHBondContact O-N 2.74Å
202	P	90.6	Very high	90.5	Very high	71 Å²	71	41.4 Å²	41.4	46%	0.461	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.5	-170.1	27.7	-36	0	0	0	114.3	N227	P202-N227 PolarHBondContact O-ND2 2.94Å
203	N	94.1	Very high	91	Very high	74 Å²	74	39 Å²	39	40%	0.396	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	19.5	-178.4	-62	-44.5	0	0	0	113	P179 L181 L182 T201 E205	P179-N203 PolarHBondContact O-ND2 3.09Å; L181-N203 CarbonylContact O-C 3.55Å; L182-N203 HydrophobicContact CD2-CB 4.4Å; L182-N203 WeakPolarHBondContact CD2-O 3.14Å; T201-N203 VanDerWaalsContact C-N 3.25Å; T201-N203 PolarHBondContact O-N 3.27Å; N203-E205 PolarHBondContact O-N 2.82Å
204	L	95.9	Very high	91.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.			trans	-70.3	123.1	-179.2	-164.1	75.6	0	0	0	111.1	L181 L182 L184 L199 T201 L207 L225 N227 L228	L181-L204 HydrophobicContact CB-CD1 4.48Å; L181-L204 HydrophobicContact CD2-CD1 4Å; L181-L204 HydrophobicContact CG-CD1 4.05Å; L181-L204 VanDerWaalsContact O-CA 3.28Å; L181-L204 WeakPolarHBondContact O-CA 3.48Å; L181-L204 PolarHBondContact O-N 2.89Å; L182-L204 WeakPolarHBondContact O-CD1 3.13Å; L184-L204 HydrophobicContact CB-CD1 3.85Å; L184-L204 HydrophobicContact CB-CD2 4.36Å; L199-L204 HydrophobicContact CD2-CD2 4.41Å; T201-L204 WeakPolarHBondContact O-CB 3.27Å; T201-L204 PolarHBondContact O-N 2.74Å; L204-L207 HydrophobicContact CD2-CB 3.86Å; L204-L207 HydrophobicContact CD2-CD1 4.08Å; L204-L207 HydrophobicContact CD2-CD2 4.29Å; L204-L207 HydrophobicContact CD2-CG 4.29Å; L204-L225 HydrophobicContact CB-CD2 4.11Å; L204-L225 HydrophobicContact CD2-CD1 4.37Å; L204-L225 HydrophobicContact CD2-CD2 4.22Å; L204-N227 CarbonylContact O-C 3.57Å; L204-L228 PolarHBondContact O-N 2.76Å
205	E	96.6	Very high	91.9	Very high	82 Å²	82	38.1 Å²	38.1	38%	0.383	22%	0.215	S	C	.	.			trans	-101.6	-34	-178.9	-64.7	174.3	-174.1	0	0	111.9	L182 N203 N227 H229 E230	L182-E205 HydrophobicContact CD2-CG 4.39Å; L182-E205 PolarHBondContact O-N 3.18Å; N203-E205 PolarHBondContact O-N 2.82Å; E205-N227 WeakPolarHBondContact CA-O 3.47Å; E205-H229 WeakPolarHBondContact O-CA 3.26Å; E205-H229 PolarHBondContact O-N 2.77Å; E205-E230 PolarHBondContact O-N 3.16Å
206	S	98	Very high	92.4	Very high	10 Å²	10	38.3 Å²	38.3	7%	0.07	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	119.4	-178.3	177.6	0	0	0	0	111.3	L182 L183 L184 E230	L182-S206 PolarHBondContact O-N 2.89Å; L183-S206 WeakPolarHBondContact CA-O 3.44Å; L184-S206 PolarHBondContact N-O 3.13Å; S206-E230 WeakPolarHBondContact CA-O 3.37Å; S206-E230 WeakPolarHBondContact CB-OE2 3.46Å; S206-E230 VanDerWaalsContact OG-CD 3.26Å; S206-E230 PolarHBondContact OG-OE2 3.28Å
207	L	97.1	Very high	92.8	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	114.7	178.6	179.1	53.7	0	0	0	110.3	L184 L204 L209 L225 L228 E230 L231 D232	L184-L207 HydrophobicContact CB-CD1 4.29Å; L184-L207 HydrophobicContact CD2-CD1 4.18Å; L184-L207 HydrophobicContact CG-CD1 4.3Å; L204-L207 HydrophobicContact CD2-CB 3.86Å; L204-L207 HydrophobicContact CD2-CD1 4.08Å; L204-L207 HydrophobicContact CD2-CD2 4.29Å; L204-L207 HydrophobicContact CD2-CG 4.29Å; L207-L209 HydrophobicContact CD1-CD1 4.2Å; L207-L209 HydrophobicContact CD1-CD2 3.9Å; L207-L209 HydrophobicContact CD1-CG 3.91Å; L207-L209 HydrophobicContact CD2-CD1 3.94Å; L207-L209 HydrophobicContact CD2-CG 4.5Å; L207-L209 HydrophobicContact CG-CD1 3.89Å; L207-L209 HydrophobicContact CG-CD2 4.45Å; L207-L209 HydrophobicContact CG-CG 3.91Å; L207-L225 HydrophobicContact CD2-CD1 3.57Å; L207-L228 HydrophobicContact CB-CD1 3.7Å; L207-E230 PolarHBondContact N-O 2.79Å; L207-L231 HydrophobicContact CB-CD1 4.19Å; L207-L231 HydrophobicContact CD2-CD1 4.29Å; L207-L231 HydrophobicContact CG-CD1 4.19Å; L207-L231 WeakPolarHBondContact O-CA 3.18Å; L207-D232 PolarHBondContact O-N 3.28Å; L207-D232 VanDerWaalsContact O-N 3.07Å
208	R	98.3	Very high	93.2	Very high	55 Å²	55	35.5 Å²	35.5	21%	0.208	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.6	-179.4	-56.7	-176	174.3	141.6	8.4	111.9	L184 D185 L186 R187 E230 D232	L184-R208 PolarHBondContact O-N 2.78Å; D185-R208 HydrophobicContact CB-CB 4.37Å; D185-R208 WeakPolarHBondContact OD2-CD 3.36Å; D185-R208 IonicContact OD2-NH1 3.39Å; L186-R208 PolarHBondContact N-O 3.37Å; R187-R208 HydrophobicContact CG-CB 3.82Å; R208-E230 IonicContact CZ-OE1 2.71Å; R208-E230 IonicContact CZ-OE2 2.84Å; R208-E230 IonicContact NE-OE1 3.98Å; R208-E230 PolarHBondContact NE-OE1 2.97Å; R208-E230 IonicContact NE-OE2 2.66Å; R208-E230 VanDerWaalsContact NH2-CD 3.26Å; R208-E230 IonicContact NH2-OE1 3.68Å; R208-E230 PolarHBondContact NH2-OE1 3.28Å; R208-E230 IonicContact NH2-OE2 3.83Å; R208-E230 PolarHBondContact NH2-OE2 2.9Å; R208-D232 HydrophobicContact CB-CB 4.17Å; R208-D232 HydrophobicContact CG-CB 4.07Å
209	L	96.7	Very high	93.4	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.			trans	-127.7	12.2	-173.7	-59.5	174.9	0	0	0	112	L186 L194 L207 G211 V212 L214 D232 I233 N236	L186-L209 HydrophobicContact CB-CD2 4.1Å; L186-L209 HydrophobicContact CD1-CD2 3.84Å; L194-L209 HydrophobicContact CD1-CD1 3.47Å; L194-L209 VanDerWaalsContact CD1-CD1 3.47Å; L194-L209 HydrophobicContact CD1-CD2 3.6Å; L194-L209 HydrophobicContact CD1-CG 4.14Å; L207-L209 HydrophobicContact CD1-CD1 4.2Å; L207-L209 HydrophobicContact CD1-CD2 3.9Å; L207-L209 HydrophobicContact CD1-CG 3.91Å; L207-L209 HydrophobicContact CD2-CD1 3.94Å; L207-L209 HydrophobicContact CD2-CG 4.5Å; L207-L209 HydrophobicContact CG-CD1 3.89Å; L207-L209 HydrophobicContact CG-CD2 4.45Å; L207-L209 HydrophobicContact CG-CG 3.91Å; L209-G211 PolarHBondContact O-N 2.84Å; L209-V212 HydrophobicContact CB-CG2 4.39Å; L209-V212 WeakPolarHBondContact O-CG1 3.48Å; L209-V212 WeakPolarHBondContact O-CG2 3.35Å; L209-V212 PolarHBondContact O-N 3.29Å; L209-L214 HydrophobicContact CB-CD1 4.11Å; L209-L214 HydrophobicContact CD1-CD1 4.13Å; L209-D232 CarbonylContact C-O 3.51Å; L209-D232 WeakPolarHBondContact CA-O 3.34Å; L209-D232 PolarHBondContact N-O 3.08Å; L209-I233 HydrophobicContact CB-CG2 4.11Å; L209-I233 HydrophobicContact CD1-CG2 4.27Å; L209-N236 PolarHBondContact O-ND2 3.06Å
210	G	96.5	Very high	93.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	129.5	173.5	0	0	0	0	0	113.4	R187 F188 V212 D232 S234	R187-G210 CarbonylContact C-O 3.47Å; R187-G210 WeakPolarHBondContact CA-O 3.34Å; R187-G210 VanDerWaalsContact CB-O 3.31Å; R187-G210 WeakPolarHBondContact CB-O 3.48Å; F188-G210 PolarHBondContact N-O 3.15Å; G210-V212 VanDerWaalsContact C-N 3.34Å; G210-V212 PolarHBondContact O-N 2.66Å; G210-D232 PolarHBondContact N-O 3.21Å; G210-S234 CarbonylContact C-O 3.4Å; G210-S234 WeakPolarHBondContact CA-O 3.47Å
211	G	95.1	Very high	93.2	Very high	21 Å²	21	36.1 Å²	36.1	22%	0.216	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	16.9	174.1	0	0	0	0	0	116.1	L209 S234 E235	L209-G211 PolarHBondContact O-N 2.84Å; G211-S234 PolarHBondContact N-O 2.71Å; G211-E235 WeakPolarHBondContact CA-O 3.43Å
212	V	95.6	Very high	93	Very high	2 Å²	2	36 Å²	36	1%	0.012	21%	0.205	C	C	.	.	S	Bend	trans	-89.5	-7.3	-179.2	-48.7	0	0	0	0	114.4	L186 N189 V190 L191 L209 G210 L214 N236	L186-V212 WeakPolarHBondContact O-CG1 3.25Å; N189-V212 HydrophobicContact CB-CG1 4.36Å; N189-V212 WeakPolarHBondContact O-CA 3.18Å; V190-V212 CarbonylContact C-O 3.51Å; L191-V212 CarbonylContact C-O 3.5Å; L191-V212 HydrophobicContact CB-CB 4.09Å; L191-V212 HydrophobicContact CB-CG2 4.07Å; L191-V212 PolarHBondContact N-O 2.9Å; L209-V212 HydrophobicContact CB-CG2 4.39Å; L209-V212 WeakPolarHBondContact O-CG1 3.48Å; L209-V212 WeakPolarHBondContact O-CG2 3.35Å; L209-V212 PolarHBondContact O-N 3.29Å; G210-V212 VanDerWaalsContact C-N 3.34Å; G210-V212 PolarHBondContact O-N 2.66Å; V212-L214 HydrophobicContact CG2-CD1 4.07Å; V212-L214 HydrophobicContact CG2-CD2 4.34Å; V212-L214 HydrophobicContact CG2-CG 3.68Å; V212-N236 PolarHBondContact N-OD1 3.46Å
213	G	93.6	Very high	92.9	Very high	17 Å²	17	38.9 Å²	38.9	18%	0.175	21%	0.207	C	C	.	.			trans	89.1	21.6	174.8	0	0	0	0	0	115.7	T215 N236	G213-T215 PolarHBondContact O-N 2.82Å; G213-N236 PolarHBondContact N-OD1 3.32Å
214	L	92.8	Very high	92.5	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.213	C	C	.	.			trans	-57.8	130.6	176.6	-67.5	168.6	0	0	0	111.6	L191 L194 L209 V212 N236 K237 L238	L191-L214 WeakPolarHBondContact O-CD2 3.25Å; L194-L214 HydrophobicContact CD1-CD1 4.34Å; L194-L214 HydrophobicContact CD1-CD2 4.01Å; L194-L214 HydrophobicContact CG-CD2 4.23Å; L209-L214 HydrophobicContact CB-CD1 4.11Å; L209-L214 HydrophobicContact CD1-CD1 4.13Å; V212-L214 HydrophobicContact CG2-CD1 4.07Å; V212-L214 HydrophobicContact CG2-CD2 4.34Å; V212-L214 HydrophobicContact CG2-CG 3.68Å; L214-N236 HydrophobicContact CB-CB 4.23Å; L214-N236 PolarHBondContact N-OD1 3.45Å; L214-K237 CarbonylContact O-C 3.54Å; L214-K237 VanDerWaalsContact O-CA 3.23Å; L214-K237 WeakPolarHBondContact O-CA 3.43Å; L214-K237 WeakPolarHBondContact O-CB 3.48Å; L214-K237 PolarHBondContact O-N 2.97Å; L214-L238 HydrophobicContact CB-CD2 4.14Å; L214-L238 PolarHBondContact O-N 3.36Å
215	T	91.1	Very high	92.2	Very high	83 Å²	83	40.3 Å²	40.3	51%	0.509	21%	0.214	S	C	.	.	S	Bend	trans	-91.7	-24.1	170.7	53.7	0	0	0	0	112.8	G213 K237	G213-T215 PolarHBondContact O-N 2.82Å; T215-K237 HydrophobicContact CG2-CB 4.2Å
216	S	90.6	Very high	91.8	Very high	81 Å²	81	44.8 Å²	44.8	57%	0.566	23%	0.232	S	C	*	.	S	Bend	trans	-151.1	156.9	175.5	61.2	0	0	0	0	110.7
217	L	89.1	Confident	91.5	Very high	15 Å²	15	47.4 Å²	47.4	8%	0.079	25%	0.246	C	C	.	.			trans	-99.2	135.5	172.3	-165.1	60.8	0	0	0	109.2	N219 I222 L231 I233 P242 L245	L217-N219 PolarHBondContact O-N 3.24Å; L217-I222 HydrophobicContact CD1-CD1 4.18Å; L217-I222 HydrophobicContact CD1-CG1 4.31Å; L217-I222 HydrophobicContact CD2-CD1 3.85Å; L217-I222 HydrophobicContact CD2-CG1 3.64Å; L217-I222 HydrophobicContact CG-CD1 4.09Å; L217-I222 HydrophobicContact CG-CG1 3.74Å; L217-L231 HydrophobicContact CD2-CD2 4.35Å; L217-I233 HydrophobicContact CD1-CG2 4.44Å; L217-I233 HydrophobicContact CD2-CD1 4.11Å; L217-P242 HydrophobicContact CB-CB 3.84Å; L217-P242 HydrophobicContact CD2-CB 3.82Å; L217-P242 HydrophobicContact CD2-CG 4.17Å; L217-P242 HydrophobicContact CG-CB 4.48Å; L217-L245 HydrophobicContact CD2-CD2 4.31Å
218	N	88.6	Confident	91.4	Very high	47 Å²	47	47.5 Å²	47.5	25%	0.251	25%	0.246	S	C	.	.			trans	-77.5	119.3	179.3	-178	-59.8	0	0	0	110.3	E220 L221 I222	N218-E220 PolarHBondContact O-N 3.42Å; N218-E220 WeakPolarHBondContact OD1-CB 3.42Å; N218-E220 PolarHBondContact OD1-N 2.8Å; N218-L221 HydrophobicContact CB-CB 3.91Å; N218-L221 WeakPolarHBondContact O-CB 3.23Å; N218-L221 PolarHBondContact O-N 2.93Å; N218-L221 PolarHBondContact OD1-N 3.34Å; N218-I222 PolarHBondContact O-N 2.93Å
219	N	88.4	Confident	91.3	Very high	73 Å²	73	48 Å²	48	39%	0.39	25%	0.251	S	S	.	.	H	α-helix	trans	-65.8	-36.6	-175.8	-66.8	-4.7	0	0	0	113.5	L217 R223 A244	L217-N219 PolarHBondContact O-N 3.24Å; N219-R223 WeakPolarHBondContact O-CB 3.41Å; N219-R223 PolarHBondContact O-N 3.47Å; N219-R223 VanDerWaalsContact O-N 3.07Å; N219-A244 HydrophobicContact CB-CB 3.97Å
220	E	88.1	Confident	91.3	Very high	117 Å²	117	50.1 Å²	50.1	55%	0.547	26%	0.261	S	S	.	.	H	α-helix	trans	-69.4	-35.5	178.4	-60.8	-179.9	164.8	0	0	111.6	T196 N218 R223 N224	T196-E220 HydrophobicContact CG2-CB 3.65Å; N218-E220 PolarHBondContact O-N 3.42Å; N218-E220 WeakPolarHBondContact OD1-CB 3.42Å; N218-E220 PolarHBondContact OD1-N 2.8Å; E220-R223 PolarHBondContact O-N 2.85Å; E220-N224 PolarHBondContact O-N 3.18Å; E220-N224 VanDerWaalsContact O-N 3.11Å; E220-N224 PolarHBondContact O-ND2 3.04Å; E220-N224 VanDerWaalsContact O-ND2 3.17Å
221	L	87.8	Confident	91.3	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-54	175	-178	69.5	0	0	0	110.2	L194 T196 L199 N218 R223 N224 L225	L194-L221 HydrophobicContact CB-CD2 4Å; T196-L221 HydrophobicContact CG2-CB 4.01Å; L199-L221 HydrophobicContact CB-CD1 4.06Å; L199-L221 HydrophobicContact CD2-CD1 3.97Å; N218-L221 HydrophobicContact CB-CB 3.91Å; N218-L221 WeakPolarHBondContact O-CB 3.23Å; N218-L221 PolarHBondContact O-N 2.93Å; N218-L221 PolarHBondContact OD1-N 3.34Å; L221-R223 PolarHBondContact O-N 2.73Å; L221-N224 PolarHBondContact O-N 2.87Å; L221-N224 VanDerWaalsContact O-N 3.11Å; L221-L225 HydrophobicContact CG-CD1 4.49Å; L221-L225 WeakPolarHBondContact O-CG 3.22Å; L221-L225 PolarHBondContact O-N 3.02Å
222	I	89.5	Confident	91.5	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-41.6	-178.8	-63.7	-57	0	0	0	111.6	L217 N218 N224 L225 L231 A244 L245 T248	L217-I222 HydrophobicContact CD1-CD1 4.18Å; L217-I222 HydrophobicContact CD1-CG1 4.31Å; L217-I222 HydrophobicContact CD2-CD1 3.85Å; L217-I222 HydrophobicContact CD2-CG1 3.64Å; L217-I222 HydrophobicContact CG-CD1 4.09Å; L217-I222 HydrophobicContact CG-CG1 3.74Å; N218-I222 PolarHBondContact O-N 2.93Å; I222-N224 PolarHBondContact O-N 2.95Å; I222-L225 PolarHBondContact O-N 2.98Å; I222-L225 VanDerWaalsContact O-N 3.13Å; I222-L231 HydrophobicContact CD1-CD2 4.39Å; I222-A244 HydrophobicContact CB-CB 4.01Å; I222-A244 HydrophobicContact CG2-CB 4Å; I222-L245 HydrophobicContact CG2-CD2 4.4Å; I222-T248 HydrophobicContact CG2-CG2 3.36Å
223	R	86.6	Confident	91.5	Very high	131 Å²	131	49.7 Å²	49.7	49%	0.494	25%	0.253	S	S	.	.	H	α-helix	trans	-61.4	-28	175.3	-174	-178	-70.1	160.1	-3	113.7	N219 E220 L221 E247	N219-R223 WeakPolarHBondContact O-CB 3.41Å; N219-R223 PolarHBondContact O-N 3.47Å; N219-R223 VanDerWaalsContact O-N 3.07Å; E220-R223 PolarHBondContact O-N 2.85Å; L221-R223 PolarHBondContact O-N 2.73Å; R223-E247 IonicContact CZ-OE1 3.06Å; R223-E247 IonicContact CZ-OE2 3.38Å; R223-E247 IonicContact NE-OE2 2.73Å; R223-E247 PolarHBondContact NE-OE2 2.85Å; R223-E247 VanDerWaalsContact NH2-CD 3.26Å; R223-E247 IonicContact NH2-OE1 2.83Å; R223-E247 PolarHBondContact NH2-OE1 3.07Å; R223-E247 IonicContact NH2-OE2 2.67Å; R223-E247 PolarHBondContact NH2-OE2 2.99Å
224	N	87.1	Confident	91.7	Very high	99 Å²	99	49.5 Å²	49.5	53%	0.529	25%	0.249	S	C	.	.	H	α-helix	trans	-80.1	-25.3	177.2	-71.3	-24.4	0	0	0	113	E220 L221 I222 K226	E220-N224 PolarHBondContact O-N 3.18Å; E220-N224 VanDerWaalsContact O-N 3.11Å; E220-N224 PolarHBondContact O-ND2 3.04Å; E220-N224 VanDerWaalsContact O-ND2 3.17Å; L221-N224 PolarHBondContact O-N 2.87Å; L221-N224 VanDerWaalsContact O-N 3.11Å; I222-N224 PolarHBondContact O-N 2.95Å; N224-K226 VanDerWaalsContact C-N 3.27Å; N224-K226 PolarHBondContact O-N 2.87Å
225	L	90	Very high	91.8	Very high	6 Å²	6	53.8 Å²	53.8	3%	0.031	27%	0.269	C	S	.	.			trans	-84.2	65.3	179.4	-59.2	176.2	0	0	0	110.9	L199 L204 L207 L221 I222 N227 L228	L199-L225 HydrophobicContact CD2-CD1 4.44Å; L199-L225 HydrophobicContact CD2-CD2 4.38Å; L204-L225 HydrophobicContact CB-CD2 4.11Å; L204-L225 HydrophobicContact CD2-CD1 4.37Å; L204-L225 HydrophobicContact CD2-CD2 4.22Å; L207-L225 HydrophobicContact CD2-CD1 3.57Å; L221-L225 HydrophobicContact CG-CD1 4.49Å; L221-L225 WeakPolarHBondContact O-CG 3.22Å; L221-L225 PolarHBondContact O-N 3.02Å; I222-L225 PolarHBondContact O-N 2.98Å; I222-L225 VanDerWaalsContact O-N 3.13Å; L225-N227 PolarHBondContact O-N 3.03Å; L225-L228 HydrophobicContact CB-CB 4.11Å; L225-L228 HydrophobicContact CB-CD2 4.47Å; L225-L228 HydrophobicContact CD1-CD2 4.46Å; L225-L228 VanDerWaalsContact O-CB 3.22Å; L225-L228 WeakPolarHBondContact O-CB 3.34Å; L225-L228 PolarHBondContact O-N 2.8Å
226	K	87.7	Confident	92	Very high	175 Å²	175	50 Å²	50	76%	0.761	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.9	-171.5	-64.8	-177	-179.6	-179.8	0	115.2	N224	N224-K226 VanDerWaalsContact C-N 3.27Å; N224-K226 PolarHBondContact O-N 2.87Å
227	N	91.8	Very high	92.1	Very high	65 Å²	65	52 Å²	52	35%	0.348	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	11	180	-58	-56	0	0	0	112.3	P202 L204 E205 L225 H229	P202-N227 PolarHBondContact O-ND2 2.94Å; L204-N227 CarbonylContact O-C 3.57Å; E205-N227 WeakPolarHBondContact CA-O 3.47Å; L225-N227 PolarHBondContact O-N 3.03Å; N227-H229 PolarHBondContact O-CD2 3.32Å; N227-H229 VanDerWaalsContact O-CD2 3.23Å; N227-H229 PolarHBondContact O-N 3.47Å; N227-H229 PolarHBondContact O-NE2 3.29Å
228	L	94.3	Very high	92.3	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	24%	0.242	C	C	.	.			trans	-71.8	120	-174.1	-166.9	72	0	0	0	111.5	L204 L207 L225 E230 L231 G250 L251	L204-L228 PolarHBondContact O-N 2.76Å; L207-L228 HydrophobicContact CB-CD1 3.7Å; L225-L228 HydrophobicContact CB-CB 4.11Å; L225-L228 HydrophobicContact CB-CD2 4.47Å; L225-L228 HydrophobicContact CD1-CD2 4.46Å; L225-L228 VanDerWaalsContact O-CB 3.22Å; L225-L228 WeakPolarHBondContact O-CB 3.34Å; L225-L228 PolarHBondContact O-N 2.8Å; L228-E230 WeakPolarHBondContact CD1-O 3.43Å; L228-L231 HydrophobicContact CD2-CB 4.17Å; L228-L231 HydrophobicContact CD2-CD1 4.31Å; L228-L231 HydrophobicContact CD2-CD2 4.48Å; L228-G250 CarbonylContact O-C 3.6Å; L228-L251 HydrophobicContact CD2-CD1 4.43Å; L228-L251 HydrophobicContact CG-CD1 4.26Å
229	H	95.7	Very high	92.4	Very high	66 Å²	66	57 Å²	57	31%	0.306	27%	0.266	S	S	.	.			trans	-111.6	-32.9	-177.2	-68.3	-43.2	0	0	0	112.4	E205 N227 G250 F252 H253	E205-H229 WeakPolarHBondContact O-CA 3.26Å; E205-H229 PolarHBondContact O-N 2.77Å; N227-H229 PolarHBondContact O-CD2 3.32Å; N227-H229 VanDerWaalsContact O-CD2 3.23Å; N227-H229 PolarHBondContact O-N 3.47Å; N227-H229 PolarHBondContact O-NE2 3.29Å; H229-G250 PolarHBondContact ND1-O 3.15Å; H229-F252 HydrophobicContact CB-CD2 3.92Å; H229-F252 HydrophobicContact CB-CE2 4.47Å; H229-F252 AromaticContact CE1-CE2 3.8Å; H229-F252 AromaticContact CG-CD2 3.9Å; H229-F252 AromaticContact CG-CE2 3.95Å; H229-F252 AromaticContact ND1-CD2 3.63Å; H229-F252 AromaticContact ND1-CE2 3.36Å; H229-F252 WeakPolarHBondContact ND1-CE2 3.34Å; H229-F252 PolarHBondContact O-N 2.79Å; H229-H253 PolarHBondContact O-N 3.12Å
230	E	97.6	Very high	92.5	Very high	45 Å²	45	57.6 Å²	57.6	21%	0.21	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.5	175.8	177.9	-173.4	-178.3	0	0	111.2	E205 S206 L207 R208 L228 H253	E205-E230 PolarHBondContact O-N 3.16Å; S206-E230 WeakPolarHBondContact CA-O 3.37Å; S206-E230 WeakPolarHBondContact CB-OE2 3.46Å; S206-E230 VanDerWaalsContact OG-CD 3.26Å; S206-E230 PolarHBondContact OG-OE2 3.28Å; L207-E230 PolarHBondContact N-O 2.79Å; R208-E230 IonicContact CZ-OE1 2.71Å; R208-E230 IonicContact CZ-OE2 2.84Å; R208-E230 IonicContact NE-OE1 3.98Å; R208-E230 PolarHBondContact NE-OE1 2.97Å; R208-E230 IonicContact NE-OE2 2.66Å; R208-E230 VanDerWaalsContact NH2-CD 3.26Å; R208-E230 IonicContact NH2-OE1 3.68Å; R208-E230 PolarHBondContact NH2-OE1 3.28Å; R208-E230 IonicContact NH2-OE2 3.83Å; R208-E230 PolarHBondContact NH2-OE2 2.9Å; L228-E230 WeakPolarHBondContact CD1-O 3.43Å; E230-H253 WeakPolarHBondContact CA-O 3.39Å; E230-H253 HydrophobicContact CB-CB 3.97Å; E230-H253 HydrophobicContact CG-CB 3.84Å
231	L	97.4	Very high	92.8	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	114.2	172.1	-177.8	63.3	0	0	0	111.3	L207 L217 I222 L228 I233 L245 L251 H253 L254 N255	L207-L231 HydrophobicContact CB-CD1 4.19Å; L207-L231 HydrophobicContact CD2-CD1 4.29Å; L207-L231 HydrophobicContact CG-CD1 4.19Å; L207-L231 WeakPolarHBondContact O-CA 3.18Å; L217-L231 HydrophobicContact CD2-CD2 4.35Å; I222-L231 HydrophobicContact CD1-CD2 4.39Å; L228-L231 HydrophobicContact CD2-CB 4.17Å; L228-L231 HydrophobicContact CD2-CD1 4.31Å; L228-L231 HydrophobicContact CD2-CD2 4.48Å; L231-I233 HydrophobicContact CD1-CG2 3.81Å; L231-I233 HydrophobicContact CD2-CD1 4.2Å; L231-I233 HydrophobicContact CD2-CG2 4.39Å; L231-I233 HydrophobicContact CG-CG1 4.49Å; L231-I233 HydrophobicContact CG-CG2 4.02Å; L231-L245 HydrophobicContact CD2-CD2 3.42Å; L231-L245 VanDerWaalsContact CD2-CD2 3.42Å; L231-L251 HydrophobicContact CB-CD1 3.88Å; L231-L251 HydrophobicContact CB-CD2 4.43Å; L231-H253 PolarHBondContact N-O 3.44Å; L231-L254 HydrophobicContact CB-CD1 4.47Å; L231-L254 HydrophobicContact CD2-CD1 4.46Å; L231-L254 WeakPolarHBondContact O-CA 3.41Å; L231-N255 PolarHBondContact O-N 3.36Å
232	D	98.1	Very high	93	Very high	12 Å²	12	53.4 Å²	53.4	6%	0.064	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	111.5	169	178.1	2.1	0	0	0	109.6	R187 L207 R208 L209 G210 S234 N255	R187-D232 WeakPolarHBondContact CD-OD2 3.16Å; R187-D232 IonicContact NH1-OD2 2.73Å; L207-D232 PolarHBondContact O-N 3.28Å; L207-D232 VanDerWaalsContact O-N 3.07Å; R208-D232 HydrophobicContact CB-CB 4.17Å; R208-D232 HydrophobicContact CG-CB 4.07Å; L209-D232 CarbonylContact C-O 3.51Å; L209-D232 WeakPolarHBondContact CA-O 3.34Å; L209-D232 PolarHBondContact N-O 3.08Å; G210-D232 PolarHBondContact N-O 3.21Å; D232-S234 WeakPolarHBondContact OD1-CB 3.32Å; D232-S234 PolarHBondContact OD1-N 2.72Å; D232-S234 PolarHBondContact OD1-OG 2.89Å; D232-N255 HydrophobicContact CB-CB 4.25Å
233	I	96.6	Very high	92.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.278	C	S	.	.			trans	-122.3	26.4	173.5	51.4	178.5	0	0	0	111.4	L209 L217 L231 N236 L238 P242 L245 N255 L256 N259	L209-I233 HydrophobicContact CB-CG2 4.11Å; L209-I233 HydrophobicContact CD1-CG2 4.27Å; L217-I233 HydrophobicContact CD1-CG2 4.44Å; L217-I233 HydrophobicContact CD2-CD1 4.11Å; L231-I233 HydrophobicContact CD1-CG2 3.81Å; L231-I233 HydrophobicContact CD2-CD1 4.2Å; L231-I233 HydrophobicContact CD2-CG2 4.39Å; L231-I233 HydrophobicContact CG-CG1 4.49Å; L231-I233 HydrophobicContact CG-CG2 4.02Å; I233-N236 VanDerWaalsContact C-ND2 3.32Å; I233-N236 PolarHBondContact O-ND2 3.44Å; I233-L238 HydrophobicContact CB-CD1 4.42Å; I233-L238 HydrophobicContact CD1-CD1 3.95Å; I233-L238 HydrophobicContact CG1-CD1 4.4Å; I233-P242 HydrophobicContact CD1-CG 3.96Å; I233-L245 HydrophobicContact CD1-CD1 4.48Å; I233-N255 CarbonylContact C-O 3.55Å; I233-N255 WeakPolarHBondContact CG1-O 3.49Å; I233-N255 PolarHBondContact N-O 3.31Å; I233-L256 HydrophobicContact CD1-CD2 3.69Å; I233-L256 HydrophobicContact CG1-CD2 3.95Å; I233-N259 PolarHBondContact O-ND2 2.64Å
234	S	97.2	Very high	93	Very high	13 Å²	13	50.3 Å²	50.3	9%	0.091	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	165.5	178.1	61.7	0	0	0	0	114.4	G210 G211 D232 N236 N255 A257	G210-S234 CarbonylContact C-O 3.4Å; G210-S234 WeakPolarHBondContact CA-O 3.47Å; G211-S234 PolarHBondContact N-O 2.71Å; D232-S234 WeakPolarHBondContact OD1-CB 3.32Å; D232-S234 PolarHBondContact OD1-N 2.72Å; D232-S234 PolarHBondContact OD1-OG 2.89Å; S234-N236 PolarHBondContact O-N 3.3Å; S234-N236 PolarHBondContact O-ND2 2.9Å; S234-N255 WeakPolarHBondContact CB-OD1 3.5Å; S234-N255 PolarHBondContact N-O 3.2Å; S234-A257 CarbonylContact C-O 3.42Å; S234-A257 WeakPolarHBondContact CA-O 3.47Å
235	E	94.7	Very high	93.2	Very high	92 Å²	92	45.6 Å²	45.6	43%	0.43	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	28.9	171.9	-62.3	-65.3	162.5	0	0	114.6	G211 A257	G211-E235 WeakPolarHBondContact CA-O 3.43Å; E235-A257 PolarHBondContact N-O 2.93Å
236	N	95.5	Very high	92.9	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.016	24%	0.241	C	C	.	.	S	Bend	trans	-98.8	-172.7	178.6	-81.9	-59.7	0	0	0	110.9	L209 V212 G213 L214 I233 S234 L238 N259 P260	L209-N236 PolarHBondContact O-ND2 3.06Å; V212-N236 PolarHBondContact N-OD1 3.46Å; G213-N236 PolarHBondContact N-OD1 3.32Å; L214-N236 HydrophobicContact CB-CB 4.23Å; L214-N236 PolarHBondContact N-OD1 3.45Å; I233-N236 VanDerWaalsContact C-ND2 3.32Å; I233-N236 PolarHBondContact O-ND2 3.44Å; S234-N236 PolarHBondContact O-N 3.3Å; S234-N236 PolarHBondContact O-ND2 2.9Å; N236-L238 HydrophobicContact CB-CG 4.22Å; N236-N259 WeakPolarHBondContact CA-OD1 3.21Å; N236-N259 WeakPolarHBondContact CB-OD1 3.02Å; N236-N259 PolarHBondContact N-OD1 2.04Å; N236-N259 PolarHBondContact O-OD1 3.2Å; N236-P260 VanDerWaalsContact O-CD 3.29Å; N236-P260 WeakPolarHBondContact O-CD 3.39Å
237	K	92.7	Very high	92.6	Very high	124 Å²	124	44.6 Å²	44.6	54%	0.539	23%	0.227	S	C	.	.			trans	-111.5	28.6	-177.8	-60.2	176.2	-176.7	170.2	0	111.5	L214 T215 E239	L214-K237 CarbonylContact O-C 3.54Å; L214-K237 VanDerWaalsContact O-CA 3.23Å; L214-K237 WeakPolarHBondContact O-CA 3.43Å; L214-K237 WeakPolarHBondContact O-CB 3.48Å; L214-K237 PolarHBondContact O-N 2.97Å; T215-K237 HydrophobicContact CG2-CB 4.2Å; K237-E239 PolarHBondContact O-N 3.48Å
238	L	92.5	Very high	92.3	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	21%	0.214	C	C	.	.			trans	-66.2	116.6	179.7	-56.6	176.5	0	0	0	109.4	L214 I233 N236 N259 P260 M261	L214-L238 HydrophobicContact CB-CD2 4.14Å; L214-L238 PolarHBondContact O-N 3.36Å; I233-L238 HydrophobicContact CB-CD1 4.42Å; I233-L238 HydrophobicContact CD1-CD1 3.95Å; I233-L238 HydrophobicContact CG1-CD1 4.4Å; N236-L238 HydrophobicContact CB-CG 4.22Å; L238-N259 HydrophobicContact CB-CB 4.27Å; L238-N259 WeakPolarHBondContact CB-OD1 3.07Å; L238-N259 VanDerWaalsContact CG-OD1 3.27Å; L238-N259 WeakPolarHBondContact CG-OD1 3.09Å; L238-N259 PolarHBondContact N-OD1 3.42Å; L238-P260 CarbonylContact O-C 3.55Å; L238-P260 VanDerWaalsContact O-CD 3.3Å; L238-P260 WeakPolarHBondContact O-CD 3.43Å; L238-P260 WeakPolarHBondContact O-CG 3.25Å; L238-M261 WeakPolarHBondContact O-CA 3.44Å; L238-M261 WeakPolarHBondContact O-CB 3.22Å; L238-M261 PolarHBondContact O-N 2.87Å
239	E	90.6	Very high	91.4	Very high	164 Å²	164	46.3 Å²	46.3	77%	0.766	24%	0.242	S	C	*	.	S	Bend	trans	-86.7	-11	179.1	-64.4	-172.4	175.9	0	0	113.4	K237 M261	K237-E239 PolarHBondContact O-N 3.48Å; E239-M261 WeakPolarHBondContact O-CA 3.39Å
240	S	92.2	Very high	90.9	Very high	85 Å²	85	44.4 Å²	44.4	59%	0.594	24%	0.24	S	C	*	.	S	Bend	trans	-143.8	159.7	178.4	61.6	0	0	0	0	111.2
241	F	92.6	Very high	90.7	Very high	23 Å²	23	42.3 Å²	42.3	10%	0.101	23%	0.23	C	C	.	.			trans	-66.5	129.9	175	-176.6	-86.7	0	0	0	110.5	S243 L245 L256 M261 P264 D268 L269 L272	F241-S243 PolarHBondContact O-N 3.34Å; F241-S243 VanDerWaalsContact O-N 3.07Å; F241-L245 HydrophobicContact CE1-CB 4.34Å; F241-L245 HydrophobicContact CZ-CB 4.29Å; F241-L245 HydrophobicContact CZ-CD1 4.08Å; F241-L256 HydrophobicContact CE2-CD1 3.95Å; F241-M261 HydrophobicContact CB-SD 4.37Å; F241-M261 HydrophobicContact CD2-CE 4.4Å; F241-M261 HydrophobicContact CD2-SD 4.42Å; F241-P264 HydrophobicContact CD2-CB 4.15Å; F241-D268 HydrophobicContact CB-CB 4.24Å; F241-D268 HydrophobicContact CD1-CB 3.71Å; F241-D268 HydrophobicContact CD2-CB 4.1Å; F241-D268 HydrophobicContact CE1-CB 4.04Å; F241-D268 WeakPolarHBondContact CE1-O 3.36Å; F241-D268 HydrophobicContact CE2-CB 4.39Å; F241-D268 HydrophobicContact CG-CB 3.74Å; F241-D268 HydrophobicContact CZ-CB 4.36Å; F241-D268 WeakPolarHBondContact CZ-O 3.36Å; F241-L269 HydrophobicContact CE2-CD2 4.11Å; F241-L272 HydrophobicContact CZ-CD1 4.26Å
242	P	91.9	Very high	90.7	Very high	10 Å²	10	45.8 Å²	45.8	7%	0.065	25%	0.245	C	C	.	.			trans	-72.5	101.9	179.6	27.9	-33.2	0	0	0	111.4	L217 I233 A244 L245	L217-P242 HydrophobicContact CB-CB 3.84Å; L217-P242 HydrophobicContact CD2-CB 3.82Å; L217-P242 HydrophobicContact CD2-CG 4.17Å; L217-P242 HydrophobicContact CG-CB 4.48Å; I233-P242 HydrophobicContact CD1-CG 3.96Å; P242-A244 PolarHBondContact O-N 3.39Å; P242-A244 VanDerWaalsContact O-N 3.07Å; P242-L245 HydrophobicContact CB-CG 4.42Å; P242-L245 HydrophobicContact CG-CD1 3.7Å; P242-L245 HydrophobicContact CG-CG 3.93Å; P242-L245 WeakPolarHBondContact O-CG 3.39Å; P242-L245 PolarHBondContact O-N 3.31Å; P242-L245 VanDerWaalsContact O-N 3.11Å
243	S	89	Confident	90.6	Very high	63 Å²	63	48.2 Å²	48.2	44%	0.441	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-60	-22.3	-175.1	56.8	0	0	0	0	114.9	F241 L245 K246	F241-S243 PolarHBondContact O-N 3.34Å; F241-S243 VanDerWaalsContact O-N 3.07Å; S243-L245 PolarHBondContact O-N 3.47Å; S243-K246 WeakPolarHBondContact O-CB 3.35Å; S243-K246 WeakPolarHBondContact O-CG 3.31Å; S243-K246 PolarHBondContact O-N 2.98Å; S243-K246 VanDerWaalsContact O-N 3.13Å
244	A	87.8	Confident	90.7	Very high	3 Å²	3	48.4 Å²	48.4	3%	0.025	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-61.2	-21.8	175.3	0	0	0	0	0	114.2	N219 I222 P242 K246 E247	N219-A244 HydrophobicContact CB-CB 3.97Å; I222-A244 HydrophobicContact CB-CB 4.01Å; I222-A244 HydrophobicContact CG2-CB 4Å; P242-A244 PolarHBondContact O-N 3.39Å; P242-A244 VanDerWaalsContact O-N 3.07Å; A244-K246 PolarHBondContact O-N 2.82Å; A244-E247 WeakPolarHBondContact O-CB 3.16Å; A244-E247 PolarHBondContact O-N 3.21Å
245	L	90.7	Very high	90.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-64.2	-23.5	175.2	-58.2	-174.1	0	0	0	112.6	L217 I222 L231 I233 F241 P242 S243 E247 T248 L254 L256 L272	L217-L245 HydrophobicContact CD2-CD2 4.31Å; I222-L245 HydrophobicContact CG2-CD2 4.4Å; L231-L245 HydrophobicContact CD2-CD2 3.42Å; L231-L245 VanDerWaalsContact CD2-CD2 3.42Å; I233-L245 HydrophobicContact CD1-CD1 4.48Å; F241-L245 HydrophobicContact CE1-CB 4.34Å; F241-L245 HydrophobicContact CZ-CB 4.29Å; F241-L245 HydrophobicContact CZ-CD1 4.08Å; P242-L245 HydrophobicContact CB-CG 4.42Å; P242-L245 HydrophobicContact CG-CD1 3.7Å; P242-L245 HydrophobicContact CG-CG 3.93Å; P242-L245 WeakPolarHBondContact O-CG 3.39Å; P242-L245 PolarHBondContact O-N 3.31Å; P242-L245 VanDerWaalsContact O-N 3.11Å; S243-L245 PolarHBondContact O-N 3.47Å; L245-E247 PolarHBondContact O-N 3.48Å; L245-T248 WeakPolarHBondContact CA-OG1 3.42Å; L245-T248 PolarHBondContact O-N 2.99Å; L245-T248 PolarHBondContact O-OG1 2.9Å; L245-L254 HydrophobicContact CD1-CD1 3.86Å; L245-L254 HydrophobicContact CD1-CD2 4Å; L245-L256 HydrophobicContact CD1-CD2 4.38Å; L245-L272 HydrophobicContact CB-CD2 4.41Å; L245-L272 WeakPolarHBondContact O-CD2 3.29Å
246	K	84.3	Confident	90.8	Very high	62 Å²	62	45.2 Å²	45.2	27%	0.27	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-69	-13	174	-52.5	-174.5	-163.7	-166.5	0	112.9	S243 A244 E267 D268	S243-K246 WeakPolarHBondContact O-CB 3.35Å; S243-K246 WeakPolarHBondContact O-CG 3.31Å; S243-K246 PolarHBondContact O-N 2.98Å; S243-K246 VanDerWaalsContact O-N 3.13Å; A244-K246 PolarHBondContact O-N 2.82Å; K246-E267 WeakPolarHBondContact CE-O 3.27Å; K246-E267 PolarHBondContact NZ-O 2.6Å; K246-D268 IonicContact NZ-OD1 3.97Å; K246-D268 PolarHBondContact NZ-OD1 2.98Å
247	E	81.7	Confident	90.9	Very high	99 Å²	99	45.3 Å²	45.3	46%	0.463	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-102	3.5	176.4	-59.3	-177.2	-164.9	0	0	112.7	R223 A244 L245 P249	R223-E247 IonicContact CZ-OE1 3.06Å; R223-E247 IonicContact CZ-OE2 3.38Å; R223-E247 IonicContact NE-OE2 2.73Å; R223-E247 PolarHBondContact NE-OE2 2.85Å; R223-E247 VanDerWaalsContact NH2-CD 3.26Å; R223-E247 IonicContact NH2-OE1 2.83Å; R223-E247 PolarHBondContact NH2-OE1 3.07Å; R223-E247 IonicContact NH2-OE2 2.67Å; R223-E247 PolarHBondContact NH2-OE2 2.99Å; A244-E247 WeakPolarHBondContact O-CB 3.16Å; A244-E247 PolarHBondContact O-N 3.21Å; L245-E247 PolarHBondContact O-N 3.48Å; E247-P249 VanDerWaalsContact C-CD 3.47Å; E247-P249 WeakPolarHBondContact O-CD 3.48Å
248	T	84.5	Confident	90.8	Very high	12 Å²	12	39.6 Å²	39.6	7%	0.074	22%	0.219	C	C	.	.			trans	-110.6	78.4	176.5	54.4	0	0	0	0	111.8	I222 L245 G250	I222-T248 HydrophobicContact CG2-CG2 3.36Å; L245-T248 WeakPolarHBondContact CA-OG1 3.42Å; L245-T248 PolarHBondContact O-N 2.99Å; L245-T248 PolarHBondContact O-OG1 2.9Å; T248-G250 VanDerWaalsContact C-N 3.26Å; T248-G250 PolarHBondContact O-N 2.76Å
249	P	76.4	Confident	90.8	Very high	93 Å²	93	39.5 Å²	39.5	60%	0.604	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-17.6	-176.2	29.7	-36.8	0	0	0	114	E247 L251 E274	E247-P249 VanDerWaalsContact C-CD 3.47Å; E247-P249 WeakPolarHBondContact O-CD 3.48Å; P249-L251 VanDerWaalsContact C-N 3.3Å; P249-L251 PolarHBondContact O-N 3.39Å; P249-E274 VanDerWaalsContact O-CG 3.26Å; P249-E274 WeakPolarHBondContact O-CG 3.32Å
250	G	85.6	Confident	90.8	Very high	25 Å²	25	33 Å²	33	26%	0.258	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	8.9	-179.2	0	0	0	0	0	115.3	L228 H229 T248	L228-G250 CarbonylContact O-C 3.6Å; H229-G250 PolarHBondContact ND1-O 3.15Å; T248-G250 VanDerWaalsContact C-N 3.26Å; T248-G250 PolarHBondContact O-N 2.76Å
251	L	93.6	Very high	90.8	Very high	2 Å²	2	30 Å²	30	1%	0.01	17%	0.168	C	C	.	.			trans	-81.2	120	-174.7	-161.7	73.8	0	0	0	110.9	L228 L231 P249 L254 L275	L228-L251 HydrophobicContact CD2-CD1 4.43Å; L228-L251 HydrophobicContact CG-CD1 4.26Å; L231-L251 HydrophobicContact CB-CD1 3.88Å; L231-L251 HydrophobicContact CB-CD2 4.43Å; P249-L251 VanDerWaalsContact C-N 3.3Å; P249-L251 PolarHBondContact O-N 3.39Å; L251-L254 HydrophobicContact CD2-CB 3.87Å; L251-L254 HydrophobicContact CD2-CD1 4.04Å; L251-L254 HydrophobicContact CD2-CD2 4.2Å; L251-L254 HydrophobicContact CD2-CG 4.25Å; L251-L275 HydrophobicContact CB-CD2 4.45Å; L251-L275 HydrophobicContact CD2-CD2 4.29Å; L251-L275 HydrophobicContact CG-CD2 4.2Å; L251-L275 WeakPolarHBondContact O-CD2 3.45Å
252	F	95.9	Very high	90.5	Very high	74 Å²	74	29 Å²	29	33%	0.325	16%	0.163	S	C	.	.			trans	-100.1	-34.9	177.8	-59.5	-58.8	0	0	0	112.1	H229 E274 L275 T276 E277	H229-F252 HydrophobicContact CB-CD2 3.92Å; H229-F252 HydrophobicContact CB-CE2 4.47Å; H229-F252 AromaticContact CE1-CE2 3.8Å; H229-F252 AromaticContact CG-CD2 3.9Å; H229-F252 AromaticContact CG-CE2 3.95Å; H229-F252 AromaticContact ND1-CD2 3.63Å; H229-F252 AromaticContact ND1-CE2 3.36Å; H229-F252 WeakPolarHBondContact ND1-CE2 3.34Å; H229-F252 PolarHBondContact O-N 2.79Å; F252-E274 HydrophobicContact CD1-CB 4.18Å; F252-E274 WeakPolarHBondContact CD1-O 3.27Å; F252-E274 HydrophobicContact CE1-CB 4.07Å; F252-L275 WeakPolarHBondContact O-CA 3.47Å; F252-L275 WeakPolarHBondContact O-CD2 3.5Å; F252-T276 HydrophobicContact CD1-CG2 4.48Å; F252-T276 PolarHBondContact O-N 2.86Å; F252-T276 PolarHBondContact O-OG1 3Å; F252-E277 PolarHBondContact O-N 2.95Å
253	H	97.6	Very high	90.4	Very high	62 Å²	62	32 Å²	32	29%	0.287	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	121.7	-178.7	-66.4	79	0	0	0	111	H229 E230 L231 E277	H229-H253 PolarHBondContact O-N 3.12Å; E230-H253 WeakPolarHBondContact CA-O 3.39Å; E230-H253 HydrophobicContact CB-CB 3.97Å; E230-H253 HydrophobicContact CG-CB 3.84Å; L231-H253 PolarHBondContact N-O 3.44Å; H253-E277 WeakPolarHBondContact CA-O 3.38Å; H253-E277 VanDerWaalsContact CD2-CB 3.47Å; H253-E277 WeakPolarHBondContact CD2-CB 3.33Å; H253-E277 IonicContact CD2-OE1 3.14Å; H253-E277 IonicContact CD2-OE2 2.72Å; H253-E277 IonicContact CE1-OE1 3.95Å; H253-E277 WeakPolarHBondContact NE2-CG 3.47Å; H253-E277 IonicContact NE2-OE1 2.88Å; H253-E277 PolarHBondContact NE2-OE1 2.91Å; H253-E277 IonicContact NE2-OE2 3.18Å
254	L	97.4	Very high	90.5	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	118.1	177.3	177.1	56.6	0	0	0	111.8	L231 L245 L251 L256 L272 L275 E277 L278 D279	L231-L254 HydrophobicContact CB-CD1 4.47Å; L231-L254 HydrophobicContact CD2-CD1 4.46Å; L231-L254 WeakPolarHBondContact O-CA 3.41Å; L245-L254 HydrophobicContact CD1-CD1 3.86Å; L245-L254 HydrophobicContact CD1-CD2 4Å; L251-L254 HydrophobicContact CD2-CB 3.87Å; L251-L254 HydrophobicContact CD2-CD1 4.04Å; L251-L254 HydrophobicContact CD2-CD2 4.2Å; L251-L254 HydrophobicContact CD2-CG 4.25Å; L254-L256 HydrophobicContact CD1-CD1 4.46Å; L254-L256 HydrophobicContact CD1-CD2 4.2Å; L254-L256 HydrophobicContact CD1-CG 3.96Å; L254-L256 HydrophobicContact CD2-CD1 3.85Å; L254-L256 HydrophobicContact CD2-CG 4.25Å; L254-L256 HydrophobicContact CG-CD1 4.05Å; L254-L256 HydrophobicContact CG-CG 3.95Å; L254-L272 HydrophobicContact CD2-CD1 3.94Å; L254-L275 HydrophobicContact CB-CD1 4.18Å; L254-L275 HydrophobicContact CB-CD2 3.64Å; L254-L275 HydrophobicContact CD2-CD1 4.15Å; L254-E277 PolarHBondContact N-O 3.4Å; L254-L278 HydrophobicContact CB-CD1 4.17Å; L254-L278 HydrophobicContact CD2-CD1 4.13Å; L254-L278 HydrophobicContact CG-CD1 4.13Å; L254-L278 WeakPolarHBondContact O-CA 3.28Å; L254-D279 PolarHBondContact O-N 2.95Å
255	N	98.1	Very high	90.6	Very high	38 Å²	38	36.2 Å²	36.2	20%	0.203	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.3	169.9	-163.3	-25.7	0	0	0	111.6	L231 D232 I233 S234 A257 D279	L231-N255 PolarHBondContact O-N 3.36Å; D232-N255 HydrophobicContact CB-CB 4.25Å; I233-N255 CarbonylContact C-O 3.55Å; I233-N255 WeakPolarHBondContact CG1-O 3.49Å; I233-N255 PolarHBondContact N-O 3.31Å; S234-N255 WeakPolarHBondContact CB-OD1 3.5Å; S234-N255 PolarHBondContact N-O 3.2Å; N255-A257 WeakPolarHBondContact OD1-CB 3.31Å; N255-A257 PolarHBondContact OD1-N 2.89Å; N255-D279 HydrophobicContact CB-CB 4.2Å; N255-D279 PolarHBondContact ND2-OD2 3.23Å; N255-D279 VanDerWaalsContact ND2-OD2 3.08Å; N255-D279 WeakPolarHBondContact OD1-CB 3.34Å; N255-D279 PolarHBondContact OD1-OD2 3.22Å
256	L	96.6	Very high	90.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.			trans	-111.5	-0.3	178.1	-70.3	164.1	0	0	0	112.8	I233 F241 L245 L254 N259 M261 D279 I280 L283	I233-L256 HydrophobicContact CD1-CD2 3.69Å; I233-L256 HydrophobicContact CG1-CD2 3.95Å; F241-L256 HydrophobicContact CE2-CD1 3.95Å; L245-L256 HydrophobicContact CD1-CD2 4.38Å; L254-L256 HydrophobicContact CD1-CD1 4.46Å; L254-L256 HydrophobicContact CD1-CD2 4.2Å; L254-L256 HydrophobicContact CD1-CG 3.96Å; L254-L256 HydrophobicContact CD2-CD1 3.85Å; L254-L256 HydrophobicContact CD2-CG 4.25Å; L254-L256 HydrophobicContact CG-CD1 4.05Å; L254-L256 HydrophobicContact CG-CG 3.95Å; L256-N259 PolarHBondContact O-ND2 2.71Å; L256-M261 HydrophobicContact CB-CE 3.88Å; L256-M261 HydrophobicContact CD1-CE 4.12Å; L256-M261 HydrophobicContact CD2-CE 3.97Å; L256-M261 HydrophobicContact CG-CE 4.22Å; L256-D279 PolarHBondContact N-O 2.87Å; L256-I280 HydrophobicContact CB-CG2 4.37Å; L256-I280 HydrophobicContact CD1-CG2 4.09Å; L256-L283 HydrophobicContact CB-CD1 4.29Å
257	A	96.2	Very high	90.8	Very high	5 Å²	5	41.2 Å²	41.2	4%	0.041	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	152	-165.6	0	0	0	0	0	114.2	S234 E235 N255 N259 S281	S234-A257 CarbonylContact C-O 3.42Å; S234-A257 WeakPolarHBondContact CA-O 3.47Å; E235-A257 PolarHBondContact N-O 2.93Å; N255-A257 WeakPolarHBondContact OD1-CB 3.31Å; N255-A257 PolarHBondContact OD1-N 2.89Å; A257-N259 PolarHBondContact O-N 3.01Å; A257-N259 VanDerWaalsContact O-N 3.13Å; A257-N259 PolarHBondContact O-ND2 2.87Å; A257-S281 CarbonylContact C-O 3.59Å; A257-S281 WeakPolarHBondContact CA-O 3.43Å; A257-S281 WeakPolarHBondContact CB-O 3.42Å
258	G	91.6	Very high	91.2	Very high	4 Å²	4	38 Å²	38	4%	0.041	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	4.4	172	0	0	0	0	0	116.1	S281	G258-S281 PolarHBondContact N-O 2.78Å
259	N	93.4	Very high	91.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.			trans	-82.1	141.8	178.7	-81	-78.5	0	0	0	113.6	I233 N236 L238 L256 A257 M261 L283	I233-N259 PolarHBondContact O-ND2 2.64Å; N236-N259 WeakPolarHBondContact CA-OD1 3.21Å; N236-N259 WeakPolarHBondContact CB-OD1 3.02Å; N236-N259 PolarHBondContact N-OD1 2.04Å; N236-N259 PolarHBondContact O-OD1 3.2Å; L238-N259 HydrophobicContact CB-CB 4.27Å; L238-N259 WeakPolarHBondContact CB-OD1 3.07Å; L238-N259 VanDerWaalsContact CG-OD1 3.27Å; L238-N259 WeakPolarHBondContact CG-OD1 3.09Å; L238-N259 PolarHBondContact N-OD1 3.42Å; L256-N259 PolarHBondContact O-ND2 2.71Å; A257-N259 PolarHBondContact O-N 3.01Å; A257-N259 VanDerWaalsContact O-N 3.13Å; A257-N259 PolarHBondContact O-ND2 2.87Å; N259-M261 HydrophobicContact CB-CG 4.09Å; N259-M261 PolarHBondContact O-N 2.81Å; N259-M261 VanDerWaalsContact O-N 3.09Å; N259-L283 HydrophobicContact CB-CD2 4.03Å; N259-L283 VanDerWaalsContact O-CD2 3.24Å; N259-L283 WeakPolarHBondContact O-CD2 3.3Å
260	P	89.9	Confident	92	Very high	28 Å²	28	37.5 Å²	37.5	18%	0.182	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	2.6	178.8	29.7	-34.1	0	0	0	114.7	N236 L238 G262 R528	N236-P260 VanDerWaalsContact O-CD 3.29Å; N236-P260 WeakPolarHBondContact O-CD 3.39Å; L238-P260 CarbonylContact O-C 3.55Å; L238-P260 VanDerWaalsContact O-CD 3.3Å; L238-P260 WeakPolarHBondContact O-CD 3.43Å; L238-P260 WeakPolarHBondContact O-CG 3.25Å; P260-G262 VanDerWaalsContact C-N 3.32Å; P260-G262 PolarHBondContact O-N 3.38Å; P260-R528 PolarHBondContact O-NH1 3.42Å; P260-R528 PolarHBondContact O-NH2 2.97Å
261	M	91.3	Very high	92.1	Very high	23 Å²	23	42 Å²	42	11%	0.113	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-36.1	177.1	65.4	179.7	-167.1	0	0	112.7	L238 E239 F241 L256 N259 L283 R528	L238-M261 WeakPolarHBondContact O-CA 3.44Å; L238-M261 WeakPolarHBondContact O-CB 3.22Å; L238-M261 PolarHBondContact O-N 2.87Å; E239-M261 WeakPolarHBondContact O-CA 3.39Å; F241-M261 HydrophobicContact CB-SD 4.37Å; F241-M261 HydrophobicContact CD2-CE 4.4Å; F241-M261 HydrophobicContact CD2-SD 4.42Å; L256-M261 HydrophobicContact CB-CE 3.88Å; L256-M261 HydrophobicContact CD1-CE 4.12Å; L256-M261 HydrophobicContact CD2-CE 3.97Å; L256-M261 HydrophobicContact CG-CE 4.22Å; N259-M261 HydrophobicContact CB-CG 4.09Å; N259-M261 PolarHBondContact O-N 2.81Å; N259-M261 VanDerWaalsContact O-N 3.09Å; M261-L283 HydrophobicContact CE-CD1 3.56Å; M261-L283 HydrophobicContact CE-CD2 3.96Å; M261-L283 HydrophobicContact CE-CG 4.44Å; M261-L283 HydrophobicContact CG-CD2 4.29Å; M261-R528 PolarHBondContact O-NH1 2.94Å
262	G	86.8	Confident	91.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.			trans	90.9	-160.3	179	0	0	0	0	0	115.2	P260 P264 L283 R528	P260-G262 VanDerWaalsContact C-N 3.32Å; P260-G262 PolarHBondContact O-N 3.38Å; G262-P264 WeakPolarHBondContact O-CD 3.41Å; G262-L283 CarbonylContact C-O 3.47Å; G262-L283 WeakPolarHBondContact CA-O 3.16Å; G262-R528 VanDerWaalsContact N-NH1 3.13Å
263	P	89.3	Confident	91.6	Very high	73 Å²	73	39.4 Å²	39.4	47%	0.474	21%	0.208	S	C	.	.	S	Bend	trans	-62.5	119.9	-176.5	-21.7	34	0	0	0	109.8	L283 I285	P263-L283 VanDerWaalsContact CD-O 3.26Å; P263-L283 WeakPolarHBondContact CD-O 3.38Å; P263-L283 VanDerWaalsContact N-O 3.16Å; P263-I285 HydrophobicContact CB-CG1 4.09Å; P263-I285 HydrophobicContact CG-CG1 4.29Å
264	P	91.3	Very high	91.4	Very high	25 Å²	25	40.8 Å²	40.8	16%	0.162	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-63.9	144.5	174.6	27.9	-34.5	0	0	0	109.6	F241 G262 L269	F241-P264 HydrophobicContact CD2-CB 4.15Å; G262-P264 WeakPolarHBondContact O-CD 3.41Å; P264-L269 HydrophobicContact CB-CD1 4.31Å; P264-L269 HydrophobicContact CB-CD2 4.16Å; P264-L269 HydrophobicContact CB-CG 4.13Å; P264-L269 HydrophobicContact CG-CD1 4Å; P264-L269 HydrophobicContact CG-CD2 4.3Å; P264-L269 HydrophobicContact CG-CG 4.32Å
265	K	90.8	Very high	91.3	Very high	131 Å²	131	40.5 Å²	40.5	57%	0.57	21%	0.213	S	C	*	.	P	Polyproline II helix	trans	-73.7	157.3	172	-58.9	176.1	-179.1	176.7	0	109.7	E267 D268 L269	K265-E267 HydrophobicContact CB-CB 4.45Å; K265-E267 PolarHBondContact O-N 2.98Å; K265-D268 HydrophobicContact CB-CB 4.36Å; K265-D268 WeakPolarHBondContact CB-OD2 3.22Å; K265-D268 PolarHBondContact N-OD2 3.05Å; K265-D268 WeakPolarHBondContact O-CA 3.28Å; K265-D268 WeakPolarHBondContact O-CB 3.3Å; K265-D268 PolarHBondContact O-N 3.39Å; K265-L269 PolarHBondContact O-N 3.13Å
266	I	89.4	Confident	91.3	Very high	45 Å²	45	40.1 Å²	40.1	23%	0.231	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-39.1	171.6	-72.1	-67.5	0	0	0	111.2	D268 L269 Q270 P289 F292 L295	I266-D268 PolarHBondContact O-N 2.75Å; I266-L269 PolarHBondContact O-N 2.92Å; I266-Q270 PolarHBondContact O-N 2.74Å; I266-P289 HydrophobicContact CD1-CG 3.69Å; I266-P289 HydrophobicContact CG1-CG 3.54Å; I266-F292 HydrophobicContact CD1-CB 4.09Å; I266-F292 HydrophobicContact CD1-CD2 4.38Å; I266-L295 HydrophobicContact CD1-CD1 3.78Å; I266-L295 HydrophobicContact CG2-CD1 4.32Å
267	E	90.1	Very high	91.3	Very high	122 Å²	122	42.3 Å²	42.3	57%	0.57	22%	0.222	S	C	*	.	H	α-helix	trans	-58.4	-24.8	171	-65.7	165.1	-156.8	0	0	113.8	K246 K265	K246-E267 WeakPolarHBondContact CE-O 3.27Å; K246-E267 PolarHBondContact NZ-O 2.6Å; K265-E267 HydrophobicContact CB-CB 4.45Å; K265-E267 PolarHBondContact O-N 2.98Å
268	D	90.3	Very high	91.4	Very high	30 Å²	30	42.3 Å²	42.3	16%	0.16	22%	0.221	C	C	.	.	H	α-helix	trans	-82.5	-27.2	-180	-67.7	-36.3	0	0	0	113.2	F241 K246 K265 I266	F241-D268 HydrophobicContact CB-CB 4.24Å; F241-D268 HydrophobicContact CD1-CB 3.71Å; F241-D268 HydrophobicContact CD2-CB 4.1Å; F241-D268 HydrophobicContact CE1-CB 4.04Å; F241-D268 WeakPolarHBondContact CE1-O 3.36Å; F241-D268 HydrophobicContact CE2-CB 4.39Å; F241-D268 HydrophobicContact CG-CB 3.74Å; F241-D268 HydrophobicContact CZ-CB 4.36Å; F241-D268 WeakPolarHBondContact CZ-O 3.36Å; K246-D268 IonicContact NZ-OD1 3.97Å; K246-D268 PolarHBondContact NZ-OD1 2.98Å; K265-D268 HydrophobicContact CB-CB 4.36Å; K265-D268 WeakPolarHBondContact CB-OD2 3.22Å; K265-D268 PolarHBondContact N-OD2 3.05Å; K265-D268 WeakPolarHBondContact O-CA 3.28Å; K265-D268 WeakPolarHBondContact O-CB 3.3Å; K265-D268 PolarHBondContact O-N 3.39Å; I266-D268 PolarHBondContact O-N 2.75Å
269	L	89.5	Confident	91.7	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	23%	0.225	C	C	.	.	H	α-helix	trans	-93.1	-2.9	178.9	-62.1	177.6	0	0	0	113.6	F241 P264 K265 I266 L272 F292 L295 F296	F241-L269 HydrophobicContact CE2-CD2 4.11Å; P264-L269 HydrophobicContact CB-CD1 4.31Å; P264-L269 HydrophobicContact CB-CD2 4.16Å; P264-L269 HydrophobicContact CB-CG 4.13Å; P264-L269 HydrophobicContact CG-CD1 4Å; P264-L269 HydrophobicContact CG-CD2 4.3Å; P264-L269 HydrophobicContact CG-CG 4.32Å; K265-L269 PolarHBondContact O-N 3.13Å; I266-L269 PolarHBondContact O-N 2.92Å; L269-L272 HydrophobicContact CD2-CD1 4.31Å; L269-L272 PolarHBondContact O-N 2.75Å; L269-F292 HydrophobicContact CD1-CD2 4.07Å; L269-F292 HydrophobicContact CD1-CE2 3.77Å; L269-L295 HydrophobicContact CB-CD1 3.72Å; L269-F296 HydrophobicContact CB-CZ 3.91Å; L269-F296 HydrophobicContact CD1-CE2 4.35Å; L269-F296 HydrophobicContact CD1-CZ 4.07Å; L269-F296 HydrophobicContact CD2-CZ 4.34Å; L269-F296 HydrophobicContact CG-CZ 4.33Å
270	Q	87.6	Confident	91.9	Very high	93 Å²	93	43.1 Å²	43.1	44%	0.435	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	146	172.1	-76.7	171.4	-6.5	0	0	111.2	I266 L272 L295	I266-Q270 PolarHBondContact O-N 2.74Å; Q270-L272 VanDerWaalsContact C-N 3.25Å; Q270-L272 PolarHBondContact O-N 2.97Å; Q270-L295 HydrophobicContact CG-CD2 4.36Å
271	N	86.8	Confident	92.1	Very high	118 Å²	118	41.8 Å²	41.8	63%	0.631	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.3	5.8	-176.1	-50.3	-18	0	0	0	116.3	G273	N271-G273 VanDerWaalsContact C-N 3.32Å; N271-G273 PolarHBondContact O-N 3.49Å
272	L	90.7	Very high	92.1	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.217	C	C	.	.			trans	-95.9	34.8	173	-63.4	177.9	0	0	0	112.7	F241 L245 L254 L269 Q270 E274 L275 F296	F241-L272 HydrophobicContact CZ-CD1 4.26Å; L245-L272 HydrophobicContact CB-CD2 4.41Å; L245-L272 WeakPolarHBondContact O-CD2 3.29Å; L254-L272 HydrophobicContact CD2-CD1 3.94Å; L269-L272 HydrophobicContact CD2-CD1 4.31Å; L269-L272 PolarHBondContact O-N 2.75Å; Q270-L272 VanDerWaalsContact C-N 3.25Å; Q270-L272 PolarHBondContact O-N 2.97Å; L272-E274 VanDerWaalsContact C-N 3.31Å; L272-E274 PolarHBondContact O-N 2.86Å; L272-L275 HydrophobicContact CB-CD1 3.79Å; L272-L275 HydrophobicContact CB-CG 4.19Å; L272-L275 HydrophobicContact CD1-CD1 4.27Å; L272-L275 WeakPolarHBondContact O-CG 3.47Å; L272-L275 PolarHBondContact O-N 3.28Å; L272-F296 HydrophobicContact CB-CE1 4.08Å; L272-F296 WeakPolarHBondContact O-CD1 3.28Å
273	G	89.7	Confident	92.4	Very high	19 Å²	19	41.6 Å²	41.6	20%	0.196	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-20.9	-170.5	0	0	0	0	0	115.6	N271 L275 L295 P297	N271-G273 VanDerWaalsContact C-N 3.32Å; N271-G273 PolarHBondContact O-N 3.49Å; G273-L275 VanDerWaalsContact C-N 3.28Å; G273-L275 PolarHBondContact O-N 3.21Å; G273-L295 WeakPolarHBondContact CA-O 3.33Å; G273-P297 WeakPolarHBondContact O-CD 3.42Å
274	E	93.1	Very high	92.3	Very high	90 Å²	90	39.1 Å²	39.1	42%	0.421	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-9.1	177.6	-56.6	-55.4	126.3	0	0	113.1	P249 F252 L272 T276	P249-E274 VanDerWaalsContact O-CG 3.26Å; P249-E274 WeakPolarHBondContact O-CG 3.32Å; F252-E274 HydrophobicContact CD1-CB 4.18Å; F252-E274 WeakPolarHBondContact CD1-O 3.27Å; F252-E274 HydrophobicContact CE1-CB 4.07Å; L272-E274 VanDerWaalsContact C-N 3.31Å; L272-E274 PolarHBondContact O-N 2.86Å; E274-T276 PolarHBondContact O-N 2.88Å
275	L	95.8	Very high	92.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.			trans	-58.4	121.6	-177.5	-75.3	177.4	0	0	0	112.2	L251 F252 L254 L272 G273 L278 F296 H298 L299	L251-L275 HydrophobicContact CB-CD2 4.45Å; L251-L275 HydrophobicContact CD2-CD2 4.29Å; L251-L275 HydrophobicContact CG-CD2 4.2Å; L251-L275 WeakPolarHBondContact O-CD2 3.45Å; F252-L275 WeakPolarHBondContact O-CA 3.47Å; F252-L275 WeakPolarHBondContact O-CD2 3.5Å; L254-L275 HydrophobicContact CB-CD1 4.18Å; L254-L275 HydrophobicContact CB-CD2 3.64Å; L254-L275 HydrophobicContact CD2-CD1 4.15Å; L272-L275 HydrophobicContact CB-CD1 3.79Å; L272-L275 HydrophobicContact CB-CG 4.19Å; L272-L275 HydrophobicContact CD1-CD1 4.27Å; L272-L275 WeakPolarHBondContact O-CG 3.47Å; L272-L275 PolarHBondContact O-N 3.28Å; G273-L275 VanDerWaalsContact C-N 3.28Å; G273-L275 PolarHBondContact O-N 3.21Å; L275-L278 HydrophobicContact CD1-CD1 4.15Å; L275-F296 HydrophobicContact CB-CD1 4.25Å; L275-F296 HydrophobicContact CD1-CD1 4.32Å; L275-F296 HydrophobicContact CD1-CE1 3.89Å; L275-H298 CarbonylContact O-C 3.49Å; L275-L299 HydrophobicContact CB-CD1 4.43Å; L275-L299 WeakPolarHBondContact O-CA 3.17Å; L275-L299 PolarHBondContact O-N 2.91Å
276	T	96.9	Very high	92.2	Very high	30 Å²	30	34.8 Å²	34.8	18%	0.184	18%	0.181	C	C	.	.	S	Bend	trans	-94.3	-29.8	171.2	60	0	0	0	0	111.3	F252 E274 H298 E300 K301	F252-T276 HydrophobicContact CD1-CG2 4.48Å; F252-T276 PolarHBondContact O-N 2.86Å; F252-T276 PolarHBondContact O-OG1 3Å; E274-T276 PolarHBondContact O-N 2.88Å; T276-H298 WeakPolarHBondContact CA-O 3.5Å; T276-E300 PolarHBondContact O-N 3.13Å; T276-K301 PolarHBondContact O-N 3.31Å
277	E	97.9	Very high	92.2	Very high	45 Å²	45	34 Å²	34	21%	0.21	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.9	177.1	-53.5	-169.8	-151.7	0	0	111.9	F252 H253 L254 K301	F252-E277 PolarHBondContact O-N 2.95Å; H253-E277 WeakPolarHBondContact CA-O 3.38Å; H253-E277 VanDerWaalsContact CD2-CB 3.47Å; H253-E277 WeakPolarHBondContact CD2-CB 3.33Å; H253-E277 IonicContact CD2-OE1 3.14Å; H253-E277 IonicContact CD2-OE2 2.72Å; H253-E277 IonicContact CE1-OE1 3.95Å; H253-E277 WeakPolarHBondContact NE2-CG 3.47Å; H253-E277 IonicContact NE2-OE1 2.88Å; H253-E277 PolarHBondContact NE2-OE1 2.91Å; H253-E277 IonicContact NE2-OE2 3.18Å; L254-E277 PolarHBondContact N-O 3.4Å; E277-K301 WeakPolarHBondContact CA-O 3.37Å; E277-K301 HydrophobicContact CB-CB 4.34Å; E277-K301 VanDerWaalsContact CD-CE 3.44Å; E277-K301 HydrophobicContact CG-CB 3.92Å; E277-K301 HydrophobicContact CG-CD 4.13Å; E277-K301 HydrophobicContact CG-CG 3.95Å; E277-K301 WeakPolarHBondContact OE1-CE 3.26Å; E277-K301 IonicContact OE1-NZ 2.75Å; E277-K301 PolarHBondContact OE1-NZ 3.47Å; E277-K301 WeakPolarHBondContact OE2-CD 3.48Å; E277-K301 IonicContact OE2-NZ 2.92Å; E277-K301 PolarHBondContact OE2-NZ 3.48Å
278	L	97.5	Very high	92.3	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.8	178.7	178.3	61	0	0	0	110.9	L254 L275 I280 F292 F296 L299 K301 L302 A303	L254-L278 HydrophobicContact CB-CD1 4.17Å; L254-L278 HydrophobicContact CD2-CD1 4.13Å; L254-L278 HydrophobicContact CG-CD1 4.13Å; L254-L278 WeakPolarHBondContact O-CA 3.28Å; L275-L278 HydrophobicContact CD1-CD1 4.15Å; L278-I280 HydrophobicContact CD1-CG2 3.87Å; L278-I280 HydrophobicContact CD2-CD1 4.36Å; L278-I280 HydrophobicContact CD2-CG2 4.36Å; L278-I280 HydrophobicContact CG-CG1 4.4Å; L278-I280 HydrophobicContact CG-CG2 4.06Å; L278-F292 HydrophobicContact CD2-CZ 4.16Å; L278-F296 HydrophobicContact CD2-CE1 4.43Å; L278-F296 HydrophobicContact CD2-CE2 4.02Å; L278-F296 HydrophobicContact CD2-CZ 3.86Å; L278-L299 HydrophobicContact CB-CD1 3.93Å; L278-K301 PolarHBondContact N-O 3.07Å; L278-L302 HydrophobicContact CB-CD1 4.22Å; L278-L302 HydrophobicContact CD2-CD1 4.33Å; L278-L302 HydrophobicContact CG-CD1 4.31Å; L278-L302 WeakPolarHBondContact O-CA 3.34Å; L278-A303 PolarHBondContact O-N 2.92Å
279	D	98.1	Very high	92.4	Very high	22 Å²	22	30.1 Å²	30.1	12%	0.118	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.8	168.7	-171.7	2.2	0	0	0	111.2	L254 N255 L256 S281 A303	L254-D279 PolarHBondContact O-N 2.95Å; N255-D279 HydrophobicContact CB-CB 4.2Å; N255-D279 PolarHBondContact ND2-OD2 3.23Å; N255-D279 VanDerWaalsContact ND2-OD2 3.08Å; N255-D279 WeakPolarHBondContact OD1-CB 3.34Å; N255-D279 PolarHBondContact OD1-OD2 3.22Å; L256-D279 PolarHBondContact N-O 2.87Å; D279-S281 WeakPolarHBondContact OD1-CB 3.42Å; D279-S281 PolarHBondContact OD1-N 2.83Å; D279-S281 PolarHBondContact OD1-OG 3.35Å; D279-A303 HydrophobicContact CB-CB 3.79Å; D279-A303 VanDerWaalsContact CG-CB 3.42Å; D279-A303 VanDerWaalsContact OD1-CB 3.24Å; D279-A303 WeakPolarHBondContact OD1-CB 3.48Å
280	I	96.4	Very high	92.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.			trans	-126.2	30.7	178	47.4	167.7	0	0	0	110.2	L256 L278 L283 I285 F292 L302 A303 I304 N307	L256-I280 HydrophobicContact CB-CG2 4.37Å; L256-I280 HydrophobicContact CD1-CG2 4.09Å; L278-I280 HydrophobicContact CD1-CG2 3.87Å; L278-I280 HydrophobicContact CD2-CD1 4.36Å; L278-I280 HydrophobicContact CD2-CG2 4.36Å; L278-I280 HydrophobicContact CG-CG1 4.4Å; L278-I280 HydrophobicContact CG-CG2 4.06Å; I280-L283 HydrophobicContact CB-CD1 3.78Å; I280-L283 HydrophobicContact CG2-CD1 3.9Å; I280-I285 HydrophobicContact CB-CD1 4.14Å; I280-I285 HydrophobicContact CD1-CD1 3.91Å; I280-I285 HydrophobicContact CG1-CD1 4.27Å; I280-F292 HydrophobicContact CD1-CE2 4.06Å; I280-F292 HydrophobicContact CD1-CZ 3.96Å; I280-L302 HydrophobicContact CD1-CD1 4.39Å; I280-L302 HydrophobicContact CG1-CD1 4.29Å; I280-A303 PolarHBondContact N-O 3.3Å; I280-I304 HydrophobicContact CD1-CG2 3.68Å; I280-I304 HydrophobicContact CG1-CG2 3.56Å; I280-N307 PolarHBondContact O-ND2 3.45Å
281	S	95.2	Very high	92.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	150	177.3	-56.8	0	0	0	0	112.6	A257 G258 D279 L283 I304 A305	A257-S281 CarbonylContact C-O 3.59Å; A257-S281 WeakPolarHBondContact CA-O 3.43Å; A257-S281 WeakPolarHBondContact CB-O 3.42Å; G258-S281 PolarHBondContact N-O 2.78Å; D279-S281 WeakPolarHBondContact OD1-CB 3.42Å; D279-S281 PolarHBondContact OD1-N 2.83Å; D279-S281 PolarHBondContact OD1-OG 3.35Å; S281-L283 PolarHBondContact O-N 3.42Å; S281-L283 VanDerWaalsContact O-N 3.15Å; S281-I304 PolarHBondContact OG-N 3.33Å; S281-A305 CarbonylContact C-O 3.27Å; S281-A305 WeakPolarHBondContact CA-O 3.17Å; S281-A305 VanDerWaalsContact CB-O 3.27Å; S281-A305 WeakPolarHBondContact CB-O 3.06Å; S281-A305 PolarHBondContact OG-N 3.35Å
282	S	91.6	Very high	93	Very high	19 Å²	19	30.6 Å²	30.6	13%	0.133	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	32	177.9	-170.1	0	0	0	0	114.6	A305	S282-A305 PolarHBondContact N-O 2.91Å
283	L	91.8	Very high	93	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-98.5	19	175.4	-68	-173	0	0	0	112.9	L256 N259 M261 G262 P263 I280 S281 I285 N307	L256-L283 HydrophobicContact CB-CD1 4.29Å; N259-L283 HydrophobicContact CB-CD2 4.03Å; N259-L283 VanDerWaalsContact O-CD2 3.24Å; N259-L283 WeakPolarHBondContact O-CD2 3.3Å; M261-L283 HydrophobicContact CE-CD1 3.56Å; M261-L283 HydrophobicContact CE-CD2 3.96Å; M261-L283 HydrophobicContact CE-CG 4.44Å; M261-L283 HydrophobicContact CG-CD2 4.29Å; G262-L283 CarbonylContact C-O 3.47Å; G262-L283 WeakPolarHBondContact CA-O 3.16Å; P263-L283 VanDerWaalsContact CD-O 3.26Å; P263-L283 WeakPolarHBondContact CD-O 3.38Å; P263-L283 VanDerWaalsContact N-O 3.16Å; I280-L283 HydrophobicContact CB-CD1 3.78Å; I280-L283 HydrophobicContact CG2-CD1 3.9Å; S281-L283 PolarHBondContact O-N 3.42Å; S281-L283 VanDerWaalsContact O-N 3.15Å; L283-I285 HydrophobicContact CB-CD1 4.14Å; L283-I285 HydrophobicContact CB-CG1 3.97Å; L283-I285 PolarHBondContact O-N 3.27Å; L283-I285 VanDerWaalsContact O-N 3.16Å; L283-N307 PolarHBondContact N-OD1 3.29Å
284	S	87.8	Confident	93	Very high	20 Å²	20	38.1 Å²	38.1	14%	0.14	20%	0.202	C	C	.	.			trans	55.5	30.1	-178.7	-70.5	0	0	0	0	114.1	Q286 N307 D526	S284-Q286 PolarHBondContact O-N 3.44Å; S284-N307 PolarHBondContact N-OD1 3.11Å; S284-D526 PolarHBondContact OG-OD2 3.28Å
285	I	90.4	Very high	93	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.19	C	C	.	.			trans	-69.7	122.3	179.3	-57.7	173.8	0	0	0	110.7	P263 I280 L283 G287 L288 N307 P308 F309	P263-I285 HydrophobicContact CB-CG1 4.09Å; P263-I285 HydrophobicContact CG-CG1 4.29Å; I280-I285 HydrophobicContact CB-CD1 4.14Å; I280-I285 HydrophobicContact CD1-CD1 3.91Å; I280-I285 HydrophobicContact CG1-CD1 4.27Å; L283-I285 HydrophobicContact CB-CD1 4.14Å; L283-I285 HydrophobicContact CB-CG1 3.97Å; L283-I285 PolarHBondContact O-N 3.27Å; L283-I285 VanDerWaalsContact O-N 3.16Å; I285-G287 WeakPolarHBondContact CG2-O 3.37Å; I285-L288 HydrophobicContact CG2-CD2 3.99Å; I285-L288 HydrophobicContact CG2-CG 4.4Å; I285-N307 HydrophobicContact CB-CB 4.03Å; I285-N307 PolarHBondContact N-OD1 2.95Å; I285-P308 CarbonylContact O-C 3.56Å; I285-P308 VanDerWaalsContact O-CD 3.31Å; I285-P308 WeakPolarHBondContact O-CD 3.26Å; I285-F309 HydrophobicContact CB-CE1 4.41Å; I285-F309 HydrophobicContact CG2-CE1 3.73Å; I285-F309 HydrophobicContact CG2-CZ 4.2Å
286	Q	88.9	Confident	92.8	Very high	63 Å²	63	35.8 Å²	35.8	29%	0.294	19%	0.192	S	C	.	.			trans	-96.5	-15.7	177	-71.3	179.4	34.2	0	0	113.7	S284 P308 N310	S284-Q286 PolarHBondContact O-N 3.44Å; Q286-P308 WeakPolarHBondContact CA-O 3.28Å; Q286-P308 HydrophobicContact CG-CG 4.09Å; Q286-N310 WeakPolarHBondContact O-CB 3.24Å; Q286-N310 PolarHBondContact O-N 3.38Å; Q286-N310 PolarHBondContact OE1-ND2 3.33Å; Q286-N310 VanDerWaalsContact OE1-ND2 3.13Å
287	G	90.5	Very high	92.6	Very high	29 Å²	29	38.7 Å²	38.7	30%	0.299	21%	0.211	S	C	.	.			trans	-178.1	159.6	-179.8	0	0	0	0	0	110.4	I285	I285-G287 WeakPolarHBondContact CG2-O 3.37Å
288	L	92.8	Very high	92.4	Very high	11 Å²	11	41.4 Å²	41.4	6%	0.058	22%	0.224	C	C	.	.			trans	-116.8	130.7	175.1	-64.1	171.8	0	0	0	107.8	I285 F292 F309 L315 W317 F318	I285-L288 HydrophobicContact CG2-CD2 3.99Å; I285-L288 HydrophobicContact CG2-CG 4.4Å; L288-F292 HydrophobicContact CD1-CD1 4.42Å; L288-F292 HydrophobicContact CD1-CE1 4.37Å; L288-F292 HydrophobicContact CD2-CD2 3.99Å; L288-F292 HydrophobicContact CD2-CE2 4.05Å; L288-F292 HydrophobicContact CD2-CG 4.46Å; L288-F309 HydrophobicContact CG-CE1 4.37Å; L288-L315 HydrophobicContact CB-CD1 4.31Å; L288-W317 HydrophobicContact CB-CH2 4.36Å; L288-W317 HydrophobicContact CB-CZ2 3.85Å; L288-W317 WeakPolarHBondContact O-CZ2 3.49Å; L288-W317 PolarHBondContact O-NE1 3Å; L288-F318 HydrophobicContact CD1-CD2 3.92Å; L288-F318 HydrophobicContact CD1-CE2 3.65Å; L288-F318 HydrophobicContact CD1-CZ 4.34Å
289	P	92	Very high	92.3	Very high	59 Å²	59	41.6 Å²	41.6	38%	0.383	23%	0.225	S	C	.	.			trans	-76.3	155.5	175.1	37.7	-37.7	0	0	0	109.5	I266 E291 F292 W317	I266-P289 HydrophobicContact CD1-CG 3.69Å; I266-P289 HydrophobicContact CG1-CG 3.54Å; P289-E291 WeakPolarHBondContact CB-OE2 3.36Å; P289-E291 PolarHBondContact O-N 2.79Å; P289-F292 WeakPolarHBondContact O-CB 3.24Å; P289-F292 PolarHBondContact O-N 2.97Å; P289-W317 VanDerWaalsContact O-CZ2 3.24Å; P289-W317 WeakPolarHBondContact O-CZ2 3.08Å
290	E	91.1	Very high	92.3	Very high	119 Å²	119	46.6 Å²	46.6	56%	0.556	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-26.3	-168.8	-169.6	165.6	-174.2	0	0	112.6	F292 S293 W317	E290-F292 PolarHBondContact O-N 3.45Å; E290-F292 VanDerWaalsContact O-N 3.15Å; E290-S293 WeakPolarHBondContact O-CB 3.34Å; E290-S293 PolarHBondContact O-N 3.37Å; E290-S293 PolarHBondContact O-OG 3.17Å; E290-W317 HydrophobicContact CB-CD2 4.45Å; E290-W317 HydrophobicContact CB-CG 4.41Å; E290-W317 HydrophobicContact CG-CB 4.5Å; E290-W317 HydrophobicContact CG-CD2 4.2Å; E290-W317 HydrophobicContact CG-CG 4.08Å
291	E	91.7	Very high	92.4	Very high	103 Å²	103	49.5 Å²	49.5	48%	0.481	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.3	172.3	-62.3	82.6	173.6	0	0	112.9	P289 S293 Q294	P289-E291 WeakPolarHBondContact CB-OE2 3.36Å; P289-E291 PolarHBondContact O-N 2.79Å; E291-S293 PolarHBondContact O-N 3.33Å; E291-Q294 WeakPolarHBondContact O-CB 3.29Å; E291-Q294 PolarHBondContact O-N 3.11Å
292	F	92.5	Very high	92.5	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.013	26%	0.26	C	S	.	.	H	α-helix	trans	-56.5	-33.5	174.6	-173.6	-83.9	0	0	0	112	I266 L269 L278 I280 L288 P289 E290 Q294 L295 F296 L302 W317 W321	I266-F292 HydrophobicContact CD1-CB 4.09Å; I266-F292 HydrophobicContact CD1-CD2 4.38Å; L269-F292 HydrophobicContact CD1-CD2 4.07Å; L269-F292 HydrophobicContact CD1-CE2 3.77Å; L278-F292 HydrophobicContact CD2-CZ 4.16Å; I280-F292 HydrophobicContact CD1-CE2 4.06Å; I280-F292 HydrophobicContact CD1-CZ 3.96Å; L288-F292 HydrophobicContact CD1-CD1 4.42Å; L288-F292 HydrophobicContact CD1-CE1 4.37Å; L288-F292 HydrophobicContact CD2-CD2 3.99Å; L288-F292 HydrophobicContact CD2-CE2 4.05Å; L288-F292 HydrophobicContact CD2-CG 4.46Å; P289-F292 WeakPolarHBondContact O-CB 3.24Å; P289-F292 PolarHBondContact O-N 2.97Å; E290-F292 PolarHBondContact O-N 3.45Å; E290-F292 VanDerWaalsContact O-N 3.15Å; F292-Q294 PolarHBondContact O-N 2.95Å; F292-L295 PolarHBondContact O-N 3.5Å; F292-F296 HydrophobicContact CD1-CD2 4.41Å; F292-F296 HydrophobicContact CD1-CE2 4.41Å; F292-F296 HydrophobicContact CD2-CE2 4.08Å; F292-F296 HydrophobicContact CE1-CD2 4.07Å; F292-F296 HydrophobicContact CE1-CE2 4.02Å; F292-F296 AromaticContact CE2-CE2 3.68Å; F292-F296 HydrophobicContact CE2-CE2 3.68Å; F292-F296 HydrophobicContact CG-CE2 4.44Å; F292-F296 HydrophobicContact CZ-CD2 4.13Å; F292-F296 AromaticContact CZ-CE2 3.64Å; F292-F296 HydrophobicContact CZ-CE2 3.64Å; F292-L302 HydrophobicContact CE1-CD2 4.29Å; F292-L302 HydrophobicContact CZ-CD1 4.45Å; F292-W317 HydrophobicContact CB-CH2 4.15Å; F292-W317 HydrophobicContact CD1-CH2 4.32Å; F292-W321 HydrophobicContact CD1-CH2 4.21Å; F292-W321 AromaticContact CE1-CH2 3.99Å; F292-W321 HydrophobicContact CE1-CH2 3.99Å; F292-W321 HydrophobicContact CE1-CZ3 4.4Å
293	S	90.9	Very high	92.8	Very high	30 Å²	30	48.7 Å²	48.7	21%	0.21	25%	0.254	C	S	.	.	H	α-helix	trans	-65.1	-17.8	177.8	67.9	0	0	0	0	114.4	E290 E291 W321	E290-S293 WeakPolarHBondContact O-CB 3.34Å; E290-S293 PolarHBondContact O-N 3.37Å; E290-S293 PolarHBondContact O-OG 3.17Å; E291-S293 PolarHBondContact O-N 3.33Å; S293-W321 PolarHBondContact O-NE1 3.46Å
294	Q	91.2	Very high	93	Very high	150 Å²	150	48.7 Å²	48.7	70%	0.701	25%	0.254	S	S	*	.	H	α-helix	trans	-100.2	-15.8	-175	-55.5	175.7	15.6	0	0	112.6	E291 F292	E291-Q294 WeakPolarHBondContact O-CB 3.29Å; E291-Q294 PolarHBondContact O-N 3.11Å; F292-Q294 PolarHBondContact O-N 2.95Å
295	L	91.7	Very high	93.2	Very high	35 Å²	35	47.7 Å²	47.7	18%	0.183	25%	0.248	C	C	.	.	H	α-helix	trans	-75.5	-30.5	-177.5	-65.2	-179.9	0	0	0	113.3	I266 L269 Q270 G273 F292 P297	I266-L295 HydrophobicContact CD1-CD1 3.78Å; I266-L295 HydrophobicContact CG2-CD1 4.32Å; L269-L295 HydrophobicContact CB-CD1 3.72Å; Q270-L295 HydrophobicContact CG-CD2 4.36Å; G273-L295 WeakPolarHBondContact CA-O 3.33Å; F292-L295 PolarHBondContact O-N 3.5Å; L295-P297 WeakPolarHBondContact O-CD 3.26Å
296	F	93	Very high	93	Very high	6 Å²	6	51 Å²	51	3%	0.026	26%	0.263	C	S	.	.			trans	-124.3	77.5	-168.6	-48.8	-69	0	0	0	111.5	L269 L272 L275 L278 F292 H298 L299	L269-F296 HydrophobicContact CB-CZ 3.91Å; L269-F296 HydrophobicContact CD1-CE2 4.35Å; L269-F296 HydrophobicContact CD1-CZ 4.07Å; L269-F296 HydrophobicContact CD2-CZ 4.34Å; L269-F296 HydrophobicContact CG-CZ 4.33Å; L272-F296 HydrophobicContact CB-CE1 4.08Å; L272-F296 WeakPolarHBondContact O-CD1 3.28Å; L275-F296 HydrophobicContact CB-CD1 4.25Å; L275-F296 HydrophobicContact CD1-CD1 4.32Å; L275-F296 HydrophobicContact CD1-CE1 3.89Å; L278-F296 HydrophobicContact CD2-CE1 4.43Å; L278-F296 HydrophobicContact CD2-CE2 4.02Å; L278-F296 HydrophobicContact CD2-CZ 3.86Å; F292-F296 HydrophobicContact CD1-CD2 4.41Å; F292-F296 HydrophobicContact CD1-CE2 4.41Å; F292-F296 HydrophobicContact CD2-CE2 4.08Å; F292-F296 HydrophobicContact CE1-CD2 4.07Å; F292-F296 HydrophobicContact CE1-CE2 4.02Å; F292-F296 AromaticContact CE2-CE2 3.68Å; F292-F296 HydrophobicContact CE2-CE2 3.68Å; F292-F296 HydrophobicContact CG-CE2 4.44Å; F292-F296 HydrophobicContact CZ-CD2 4.13Å; F292-F296 AromaticContact CZ-CE2 3.64Å; F292-F296 HydrophobicContact CZ-CE2 3.64Å; F296-H298 PolarHBondContact O-N 3.07Å; F296-L299 HydrophobicContact CB-CB 3.83Å; F296-L299 HydrophobicContact CB-CD1 4.45Å; F296-L299 HydrophobicContact CB-CD2 4.32Å; F296-L299 HydrophobicContact CB-CG 4.44Å
297	P	91.4	Very high	93	Very high	91 Å²	91	48.4 Å²	48.4	59%	0.591	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-21	-179.9	27.7	-35.9	0	0	0	113.9	G273 L295	G273-P297 WeakPolarHBondContact O-CD 3.42Å; L295-P297 WeakPolarHBondContact O-CD 3.26Å
298	H	93.9	Very high	92.9	Very high	102 Å²	102	47.4 Å²	47.4	47%	0.472	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	8.4	-176.1	-62.6	-57.2	0	0	0	114.2	L275 T276 F296 E300	L275-H298 CarbonylContact O-C 3.49Å; T276-H298 WeakPolarHBondContact CA-O 3.5Å; F296-H298 PolarHBondContact O-N 3.07Å; H298-E300 PolarHBondContact O-N 2.81Å
299	L	96.4	Very high	92.8	Very high	10 Å²	10	47 Å²	47	5%	0.052	24%	0.237	C	C	.	.			trans	-68.7	119.9	-174.6	-159.5	72	0	0	0	111.8	L275 L278 F296 L302 W321 I327	L275-L299 HydrophobicContact CB-CD1 4.43Å; L275-L299 WeakPolarHBondContact O-CA 3.17Å; L275-L299 PolarHBondContact O-N 2.91Å; L278-L299 HydrophobicContact CB-CD1 3.93Å; F296-L299 HydrophobicContact CB-CB 3.83Å; F296-L299 HydrophobicContact CB-CD1 4.45Å; F296-L299 HydrophobicContact CB-CD2 4.32Å; F296-L299 HydrophobicContact CB-CG 4.44Å; L299-L302 HydrophobicContact CD2-CB 4.08Å; L299-L302 HydrophobicContact CD2-CD1 4.33Å; L299-L302 HydrophobicContact CD2-CD2 4.43Å; L299-W321 HydrophobicContact CD2-CH2 3.92Å; L299-I327 HydrophobicContact CD2-CD1 4.49Å; L299-I327 WeakPolarHBondContact O-CG1 3.16Å
300	E	96.8	Very high	92.7	Very high	126 Å²	126	45.8 Å²	45.8	59%	0.589	23%	0.227	S	C	*	.			trans	-101.2	-37.1	175.3	-61.3	-167.6	167.9	0	0	111.9	T276 H298 T328	T276-E300 PolarHBondContact O-N 3.13Å; H298-E300 PolarHBondContact O-N 2.81Å; E300-T328 PolarHBondContact O-N 2.83Å
301	K	98.1	Very high	92.8	Very high	61 Å²	61	40.1 Å²	40.1	27%	0.265	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.5	180	-45.6	-168.3	-152.9	144.6	0	112.5	T276 E277 L278 T328 E330	T276-K301 PolarHBondContact O-N 3.31Å; E277-K301 WeakPolarHBondContact CA-O 3.37Å; E277-K301 HydrophobicContact CB-CB 4.34Å; E277-K301 VanDerWaalsContact CD-CE 3.44Å; E277-K301 HydrophobicContact CG-CB 3.92Å; E277-K301 HydrophobicContact CG-CD 4.13Å; E277-K301 HydrophobicContact CG-CG 3.95Å; E277-K301 WeakPolarHBondContact OE1-CE 3.26Å; E277-K301 IonicContact OE1-NZ 2.75Å; E277-K301 PolarHBondContact OE1-NZ 3.47Å; E277-K301 WeakPolarHBondContact OE2-CD 3.48Å; E277-K301 IonicContact OE2-NZ 2.92Å; E277-K301 PolarHBondContact OE2-NZ 3.48Å; L278-K301 PolarHBondContact N-O 3.07Å; K301-T328 WeakPolarHBondContact CA-O 3.42Å; K301-E330 HydrophobicContact CB-CG 4.33Å; K301-E330 HydrophobicContact CD-CG 4.49Å; K301-E330 VanDerWaalsContact CD-OE1 3.28Å; K301-E330 WeakPolarHBondContact CD-OE1 3.21Å
302	L	97.8	Very high	92.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	125.4	178.2	179.6	60.1	0	0	0	109.9	L278 I280 F292 L299 I304 F318 W321 L322 I327 T328 L329 E330	L278-L302 HydrophobicContact CB-CD1 4.22Å; L278-L302 HydrophobicContact CD2-CD1 4.33Å; L278-L302 HydrophobicContact CG-CD1 4.31Å; L278-L302 WeakPolarHBondContact O-CA 3.34Å; I280-L302 HydrophobicContact CD1-CD1 4.39Å; I280-L302 HydrophobicContact CG1-CD1 4.29Å; F292-L302 HydrophobicContact CE1-CD2 4.29Å; F292-L302 HydrophobicContact CZ-CD1 4.45Å; L299-L302 HydrophobicContact CD2-CB 4.08Å; L299-L302 HydrophobicContact CD2-CD1 4.33Å; L299-L302 HydrophobicContact CD2-CD2 4.43Å; L302-I304 HydrophobicContact CD1-CG2 3.91Å; L302-I304 HydrophobicContact CD2-CG2 4.25Å; L302-I304 HydrophobicContact CG-CG2 3.98Å; L302-F318 HydrophobicContact CD2-CE2 3.83Å; L302-F318 HydrophobicContact CD2-CZ 3.85Å; L302-W321 HydrophobicContact CD2-CH2 4.23Å; L302-W321 HydrophobicContact CD2-CZ3 3.9Å; L302-L322 HydrophobicContact CD2-CD2 4.38Å; L302-I327 HydrophobicContact CB-CG2 3.97Å; L302-T328 PolarHBondContact N-O 2.99Å; L302-L329 CarbonylContact O-C 3.56Å; L302-L329 WeakPolarHBondContact O-CA 3.48Å; L302-E330 PolarHBondContact O-N 2.57Å
303	A	97.7	Very high	92.7	Very high	2 Å²	2	41 Å²	41	2%	0.017	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.1	168.8	0	0	0	0	0	109.6	L278 D279 I280 E330	L278-A303 PolarHBondContact O-N 2.92Å; D279-A303 HydrophobicContact CB-CB 3.79Å; D279-A303 VanDerWaalsContact CG-CB 3.42Å; D279-A303 VanDerWaalsContact OD1-CB 3.24Å; D279-A303 WeakPolarHBondContact OD1-CB 3.48Å; I280-A303 PolarHBondContact N-O 3.3Å; A303-E330 HydrophobicContact CB-CB 4.16Å
304	I	96.2	Very high	92.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.			trans	-134.8	23.9	179.4	48.3	155.3	0	0	0	110.9	I280 S281 L302 N307 F309 F318 L329 T335 L348	I280-I304 HydrophobicContact CD1-CG2 3.68Å; I280-I304 HydrophobicContact CG1-CG2 3.56Å; S281-I304 PolarHBondContact OG-N 3.33Å; L302-I304 HydrophobicContact CD1-CG2 3.91Å; L302-I304 HydrophobicContact CD2-CG2 4.25Å; L302-I304 HydrophobicContact CG-CG2 3.98Å; I304-N307 PolarHBondContact O-ND2 3.45Å; I304-F309 HydrophobicContact CB-CE2 4.2Å; I304-F309 HydrophobicContact CB-CZ 3.99Å; I304-F309 HydrophobicContact CD1-CE2 3.76Å; I304-F309 HydrophobicContact CD1-CZ 3.64Å; I304-F309 HydrophobicContact CG1-CE2 4.35Å; I304-F309 HydrophobicContact CG1-CZ 4.35Å; I304-F309 WeakPolarHBondContact O-CE2 3.31Å; I304-F318 HydrophobicContact CD1-CE1 3.54Å; I304-F318 HydrophobicContact CD1-CE2 4.37Å; I304-F318 HydrophobicContact CD1-CZ 3.35Å; I304-F318 HydrophobicContact CG1-CZ 4.38Å; I304-L329 HydrophobicContact CD1-CD1 3.85Å; I304-L329 HydrophobicContact CG1-CD1 3.48Å; I304-L329 VanDerWaalsContact CG1-CD1 3.48Å; I304-T335 HydrophobicContact CD1-CG2 3.46Å; I304-T335 VanDerWaalsContact CD1-CG2 3.46Å; I304-T335 HydrophobicContact CG1-CG2 3.66Å; I304-L348 HydrophobicContact CD1-CD2 4.07Å
305	A	91.8	Very high	92.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	165	-175.9	0	0	0	0	0	112.6	S281 S282 N307 R331 E334	S281-A305 CarbonylContact C-O 3.27Å; S281-A305 WeakPolarHBondContact CA-O 3.17Å; S281-A305 VanDerWaalsContact CB-O 3.27Å; S281-A305 WeakPolarHBondContact CB-O 3.06Å; S281-A305 PolarHBondContact OG-N 3.35Å; S282-A305 PolarHBondContact N-O 2.91Å; A305-N307 PolarHBondContact O-N 3.25Å; A305-N307 PolarHBondContact O-ND2 2.89Å; A305-R331 HydrophobicContact CB-CB 3.67Å; A305-E334 HydrophobicContact CB-CB 3.79Å
306	E	87.5	Confident	93	Very high	71 Å²	71	36 Å²	36	33%	0.332	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	21	176.1	-59.4	-174.4	-112.5	0	0	115.1	R331 E334 K547	E306-R331 IonicContact OE1-CZ 3.36Å; E306-R331 IonicContact OE1-NH1 3.77Å; E306-R331 IonicContact OE1-NH2 3.7Å; E306-R331 PolarHBondContact OE1-NH2 3.2Å; E306-E334 PolarHBondContact N-O 3.04Å; E306-K547 WeakPolarHBondContact OE2-CE 3.23Å; E306-K547 IonicContact OE2-NZ 3.21Å; E306-K547 PolarHBondContact OE2-NZ 2.92Å
307	N	89.1	Confident	93.1	Very high	9 Å²	9	37 Å²	37	5%	0.048	19%	0.193	C	C	.	.			trans	-102.3	136.5	177.2	-79.2	-57.2	0	0	0	111.6	I280 L283 S284 I285 I304 A305 F309	I280-N307 PolarHBondContact O-ND2 3.45Å; L283-N307 PolarHBondContact N-OD1 3.29Å; S284-N307 PolarHBondContact N-OD1 3.11Å; I285-N307 HydrophobicContact CB-CB 4.03Å; I285-N307 PolarHBondContact N-OD1 2.95Å; I304-N307 PolarHBondContact O-ND2 3.45Å; A305-N307 PolarHBondContact O-N 3.25Å; A305-N307 PolarHBondContact O-ND2 2.89Å; N307-F309 VanDerWaalsContact C-N 3.31Å; N307-F309 HydrophobicContact CB-CD2 4.01Å; N307-F309 HydrophobicContact CB-CE2 3.52Å; N307-F309 HydrophobicContact CB-CZ 3.89Å; N307-F309 WeakPolarHBondContact O-CD2 3.28Å; N307-F309 PolarHBondContact O-N 3.37Å
308	P	86.5	Confident	93.3	Very high	8 Å²	8	32.7 Å²	32.7	5%	0.052	17%	0.165	C	C	.	.			trans	-79.5	66.2	-175	34.4	-38.5	0	0	0	113.2	I285 Q286 N310 H338 I530	I285-P308 CarbonylContact O-C 3.56Å; I285-P308 VanDerWaalsContact O-CD 3.31Å; I285-P308 WeakPolarHBondContact O-CD 3.26Å; Q286-P308 WeakPolarHBondContact CA-O 3.28Å; Q286-P308 HydrophobicContact CG-CG 4.09Å; P308-N310 PolarHBondContact O-N 3.42Å; P308-H338 HydrophobicContact CB-CB 4.17Å; P308-I530 HydrophobicContact CB-CD1 4.41Å; P308-I530 HydrophobicContact CB-CG2 3.79Å; P308-I530 HydrophobicContact CG-CD1 4.16Å; P308-I530 HydrophobicContact CG-CG1 4.44Å; P308-I530 HydrophobicContact CG-CG2 3.86Å
309	F	91.6	Very high	93.4	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	128.3	-173.6	-74.5	-70.9	0	0	0	115.2	I285 L288 I304 N307 C311 L315 T335 H338 F339 L348	I285-F309 HydrophobicContact CB-CE1 4.41Å; I285-F309 HydrophobicContact CG2-CE1 3.73Å; I285-F309 HydrophobicContact CG2-CZ 4.2Å; L288-F309 HydrophobicContact CG-CE1 4.37Å; I304-F309 HydrophobicContact CB-CE2 4.2Å; I304-F309 HydrophobicContact CB-CZ 3.99Å; I304-F309 HydrophobicContact CD1-CE2 3.76Å; I304-F309 HydrophobicContact CD1-CZ 3.64Å; I304-F309 HydrophobicContact CG1-CE2 4.35Å; I304-F309 HydrophobicContact CG1-CZ 4.35Å; I304-F309 WeakPolarHBondContact O-CE2 3.31Å; N307-F309 VanDerWaalsContact C-N 3.31Å; N307-F309 HydrophobicContact CB-CD2 4.01Å; N307-F309 HydrophobicContact CB-CE2 3.52Å; N307-F309 HydrophobicContact CB-CZ 3.89Å; N307-F309 WeakPolarHBondContact O-CD2 3.28Å; N307-F309 PolarHBondContact O-N 3.37Å; F309-C311 PolarHBondContact O-N 2.81Å; F309-L315 HydrophobicContact CB-CD2 4.23Å; F309-L315 HydrophobicContact CD1-CD2 3.87Å; F309-L315 HydrophobicContact CG-CD2 4.34Å; F309-T335 HydrophobicContact CE2-CG2 4.18Å; F309-H338 PolarHBondContact O-N 2.89Å; F309-F339 PolarHBondContact O-N 2.61Å; F309-F339 VanDerWaalsContact O-N 3.14Å; F309-L348 HydrophobicContact CD2-CD2 4.14Å; F309-L348 HydrophobicContact CE2-CD2 4.33Å; F309-L348 HydrophobicContact CG-CD2 4.27Å
310	N	90.4	Very high	93.3	Very high	34 Å²	34	34.3 Å²	34.3	18%	0.182	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	91.1	166.2	-65.2	-26	0	0	0	109.2	Q286 P308 L312 F339	Q286-N310 WeakPolarHBondContact O-CB 3.24Å; Q286-N310 PolarHBondContact O-N 3.38Å; Q286-N310 PolarHBondContact OE1-ND2 3.33Å; Q286-N310 VanDerWaalsContact OE1-ND2 3.13Å; P308-N310 PolarHBondContact O-N 3.42Å; N310-L312 PolarHBondContact O-N 2.9Å; N310-F339 HydrophobicContact CB-CD1 4.44Å; N310-F339 WeakPolarHBondContact OD1-CB 3.47Å
311	C	92.6	Very high	93.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.			trans	-77.3	65.1	178.3	-61.6	0	0	0	0	112	F309 C337 F339 P340 L351 F356	F309-C311 PolarHBondContact O-N 2.81Å; C311-C337 HydrophobicContact CB-CB 3.77Å; C311-C337 WeakPolarHBondContact CB-SG 3.36Å; C311-C337 WeakPolarHBondContact SG-CA 3.17Å; C311-C337 WeakPolarHBondContact SG-CB 3.24Å; C311-C337 CovalentContact SG-SG 2.02Å; C311-C337 PolarHBondContact SG-SG 2.9Å; C311-F339 WeakPolarHBondContact CB-O 3.47Å; C311-F339 PolarHBondContact N-O 2.92Å; C311-P340 WeakPolarHBondContact O-CD 3.47Å; C311-L351 HydrophobicContact CB-CD1 4.37Å; C311-F356 VanDerWaalsContact C-CD1 3.5Å; C311-F356 HydrophobicContact CB-CD1 3.88Å; C311-F356 HydrophobicContact CB-CE1 3.72Å
312	L	91.4	Very high	93.1	Very high	70 Å²	70	26.6 Å²	26.6	37%	0.366	13%	0.131	S	C	.	.	S	Bend	trans	-99.7	173.7	170.1	-60.4	173.9	0	0	0	110.2	N310 N314 L315 F339 P340 F356	N310-L312 PolarHBondContact O-N 2.9Å; L312-N314 WeakPolarHBondContact CB-OD1 3.27Å; L312-N314 PolarHBondContact O-N 2.82Å; L312-N314 PolarHBondContact O-OD1 3.4Å; L312-L315 PolarHBondContact O-N 2.93Å; L312-F339 HydrophobicContact CD1-CD1 4.34Å; L312-F339 HydrophobicContact CD1-CE1 4.07Å; L312-F339 HydrophobicContact CD2-CD1 4.25Å; L312-F339 HydrophobicContact CD2-CE1 3.92Å; L312-F339 HydrophobicContact CG-CD1 4.28Å; L312-F339 HydrophobicContact CG-CE1 4.25Å; L312-P340 HydrophobicContact CD2-CB 4.41Å; L312-P340 HydrophobicContact CD2-CG 4.16Å; L312-F356 CarbonylContact C-O 3.5Å; L312-F356 VanDerWaalsContact O-CD1 3.29Å; L312-F356 WeakPolarHBondContact O-CD1 3.24Å
313	C	91.4	Very high	93	Very high	55 Å²	55	33.5 Å²	33.5	37%	0.372	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-54.4	-28.9	-173.1	-169.5	0	0	0	0	114.8	L315 A316 F356 C358	C313-L315 PolarHBondContact O-N 2.89Å; C313-A316 VanDerWaalsContact O-CB 3.24Å; C313-A316 WeakPolarHBondContact O-CB 3.17Å; C313-A316 PolarHBondContact O-N 2.93Å; C313-A316 VanDerWaalsContact O-N 3.11Å; C313-F356 PolarHBondContact N-O 3.28Å; C313-F356 VanDerWaalsContact N-O 3.11Å; C313-C358 WeakPolarHBondContact CA-SG 3.44Å; C313-C358 HydrophobicContact CB-CB 3.96Å; C313-C358 WeakPolarHBondContact CB-SG 3.27Å; C313-C358 WeakPolarHBondContact SG-CA 3.34Å; C313-C358 WeakPolarHBondContact SG-CB 3.01Å; C313-C358 CovalentContact SG-SG 2.04Å; C313-C358 PolarHBondContact SG-SG 2.74Å
314	N	91.4	Very high	92.8	Very high	102 Å²	102	37 Å²	37	55%	0.545	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-65.1	-16.2	175.1	69	-45.6	0	0	0	114.7	L312 W317	L312-N314 WeakPolarHBondContact CB-OD1 3.27Å; L312-N314 PolarHBondContact O-N 2.82Å; L312-N314 PolarHBondContact O-OD1 3.4Å; N314-W317 PolarHBondContact O-NE1 2.91Å; N314-W317 VanDerWaalsContact O-NE1 3.14Å
315	L	95	Very high	92.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-102.5	-2.4	174.9	-166.4	59.7	0	0	0	112.4	L288 F309 L312 C313 W317 F318 L348 F356	L288-L315 HydrophobicContact CB-CD1 4.31Å; F309-L315 HydrophobicContact CB-CD2 4.23Å; F309-L315 HydrophobicContact CD1-CD2 3.87Å; F309-L315 HydrophobicContact CG-CD2 4.34Å; L312-L315 PolarHBondContact O-N 2.93Å; C313-L315 PolarHBondContact O-N 2.89Å; L315-W317 PolarHBondContact O-N 2.83Å; L315-W317 VanDerWaalsContact O-N 3.12Å; L315-F318 HydrophobicContact CD1-CB 3.85Å; L315-F318 HydrophobicContact CD1-CG 4.34Å; L315-F318 HydrophobicContact CG-CB 4.32Å; L315-F318 WeakPolarHBondContact O-CB 3.36Å; L315-F318 PolarHBondContact O-N 3.29Å; L315-L348 HydrophobicContact CD2-CD1 4.03Å; L315-L348 HydrophobicContact CD2-CD2 4.42Å; L315-L348 HydrophobicContact CG-CD1 4.47Å; L315-F356 HydrophobicContact CB-CD1 4.36Å; L315-F356 HydrophobicContact CB-CE1 4.1Å; L315-F356 HydrophobicContact CG-CE1 4.32Å
316	A	93.9	Very high	92.9	Very high	8 Å²	8	47.6 Å²	47.6	7%	0.066	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.2	-174.7	0	0	0	0	0	114.2	C313 T353 F356	C313-A316 VanDerWaalsContact O-CB 3.24Å; C313-A316 WeakPolarHBondContact O-CB 3.17Å; C313-A316 PolarHBondContact O-N 2.93Å; C313-A316 VanDerWaalsContact O-N 3.11Å; A316-T353 HydrophobicContact CB-CG2 4.19Å; A316-F356 HydrophobicContact CB-CB 3.86Å; A316-F356 HydrophobicContact CB-CD1 4.3Å; A316-F356 HydrophobicContact CB-CD2 3.75Å; A316-F356 HydrophobicContact CB-CE2 4.38Å; A316-F356 HydrophobicContact CB-CG 3.71Å
317	W	94.9	Very high	93.3	Very high	27 Å²	27	44.4 Å²	44.4	10%	0.102	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-33.7	171.9	67.7	-96.6	0	0	0	112	L288 P289 E290 F292 N314 L315 R320 W321	L288-W317 HydrophobicContact CB-CH2 4.36Å; L288-W317 HydrophobicContact CB-CZ2 3.85Å; L288-W317 WeakPolarHBondContact O-CZ2 3.49Å; L288-W317 PolarHBondContact O-NE1 3Å; P289-W317 VanDerWaalsContact O-CZ2 3.24Å; P289-W317 WeakPolarHBondContact O-CZ2 3.08Å; E290-W317 HydrophobicContact CB-CD2 4.45Å; E290-W317 HydrophobicContact CB-CG 4.41Å; E290-W317 HydrophobicContact CG-CB 4.5Å; E290-W317 HydrophobicContact CG-CD2 4.2Å; E290-W317 HydrophobicContact CG-CG 4.08Å; F292-W317 HydrophobicContact CB-CH2 4.15Å; F292-W317 HydrophobicContact CD1-CH2 4.32Å; N314-W317 PolarHBondContact O-NE1 2.91Å; N314-W317 VanDerWaalsContact O-NE1 3.14Å; L315-W317 PolarHBondContact O-N 2.83Å; L315-W317 VanDerWaalsContact O-N 3.12Å; W317-R320 WeakPolarHBondContact O-CA 3.4Å; W317-R320 WeakPolarHBondContact O-CB 3.36Å; W317-R320 PolarHBondContact O-N 2.96Å; W317-W321 HydrophobicContact CE3-CB 3.77Å; W317-W321 HydrophobicContact CE3-CG 4.24Å; W317-W321 HydrophobicContact CZ3-CB 3.91Å; W317-W321 AromaticContact CZ3-CD2 3.89Å; W317-W321 HydrophobicContact CZ3-CD2 3.89Å; W317-W321 AromaticContact CZ3-CE3 3.92Å; W317-W321 HydrophobicContact CZ3-CE3 3.92Å; W317-W321 AromaticContact CZ3-CG 3.91Å; W317-W321 HydrophobicContact CZ3-CG 3.91Å; W317-W321 PolarHBondContact O-N 2.81Å
318	F	96.1	Very high	93.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-48.5	-165.3	177.2	-95.2	0	0	0	114.1	L288 L302 I304 L315 R320 W321 L322 L348	L288-F318 HydrophobicContact CD1-CD2 3.92Å; L288-F318 HydrophobicContact CD1-CE2 3.65Å; L288-F318 HydrophobicContact CD1-CZ 4.34Å; L302-F318 HydrophobicContact CD2-CE2 3.83Å; L302-F318 HydrophobicContact CD2-CZ 3.85Å; I304-F318 HydrophobicContact CD1-CE1 3.54Å; I304-F318 HydrophobicContact CD1-CE2 4.37Å; I304-F318 HydrophobicContact CD1-CZ 3.35Å; I304-F318 HydrophobicContact CG1-CZ 4.38Å; L315-F318 HydrophobicContact CD1-CB 3.85Å; L315-F318 HydrophobicContact CD1-CG 4.34Å; L315-F318 HydrophobicContact CG-CB 4.32Å; L315-F318 WeakPolarHBondContact O-CB 3.36Å; L315-F318 PolarHBondContact O-N 3.29Å; F318-R320 PolarHBondContact O-N 2.97Å; F318-R320 VanDerWaalsContact O-N 3.16Å; F318-W321 AromaticContact CD2-CE3 3.89Å; F318-W321 HydrophobicContact CD2-CE3 3.89Å; F318-W321 HydrophobicContact CD2-CZ3 4.07Å; F318-W321 AromaticContact CE2-CE3 3.91Å; F318-W321 HydrophobicContact CE2-CE3 3.91Å; F318-W321 AromaticContact CE2-CZ3 3.64Å; F318-W321 HydrophobicContact CE2-CZ3 3.64Å; F318-W321 PolarHBondContact O-N 2.84Å; F318-L322 HydrophobicContact CD1-CD1 4.06Å; F318-L322 HydrophobicContact CD1-CG 4.46Å; F318-L322 HydrophobicContact CE1-CD1 3.46Å; F318-L322 VanDerWaalsContact CE1-CD1 3.46Å; F318-L322 HydrophobicContact CE1-CG 4.05Å; F318-L322 HydrophobicContact CE2-CD2 4.38Å; F318-L322 HydrophobicContact CE2-CG 4.39Å; F318-L322 HydrophobicContact CZ-CD1 3.79Å; F318-L322 HydrophobicContact CZ-CD2 4.04Å; F318-L322 HydrophobicContact CZ-CG 4Å; F318-L322 WeakPolarHBondContact O-CG 3.23Å; F318-L322 PolarHBondContact O-N 2.83Å; F318-L348 HydrophobicContact CD1-CD2 3.69Å; F318-L348 HydrophobicContact CD1-CG 4.06Å; F318-L348 HydrophobicContact CE1-CD2 3.64Å; F318-L348 HydrophobicContact CE1-CG 4.24Å
319	P	95.6	Very high	94.2	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.013	25%	0.25	C	S	.	.	H	α-helix	trans	-67.9	-13.9	175.2	-17.6	31.7	0	0	0	114	R323 L348 F356	P319-R323 PolarHBondContact O-NE 3.47Å; P319-L348 HydrophobicContact CG-CD1 4.27Å; P319-L348 WeakPolarHBondContact CG-O 3.28Å; P319-F356 HydrophobicContact CG-CE2 4.07Å; P319-F356 HydrophobicContact CG-CZ 3.72Å
320	R	94.1	Very high	94.4	Very high	145 Å²	145	51 Å²	51	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-84.5	-46.1	173	-168.8	-172.8	-60.3	162.8	2.1	110.4	W317 F318 R323 A324 T353	W317-R320 WeakPolarHBondContact O-CA 3.4Å; W317-R320 WeakPolarHBondContact O-CB 3.36Å; W317-R320 PolarHBondContact O-N 2.96Å; F318-R320 PolarHBondContact O-N 2.97Å; F318-R320 VanDerWaalsContact O-N 3.16Å; R320-R323 PolarHBondContact O-N 2.7Å; R320-R323 VanDerWaalsContact O-N 3.14Å; R320-A324 WeakPolarHBondContact O-CB 3.33Å; R320-A324 PolarHBondContact O-N 3.22Å; R320-T353 PolarHBondContact NH2-OG1 3.24Å
321	W	95.3	Very high	94.5	Very high	22 Å²	22	54 Å²	54	8%	0.083	28%	0.276	C	S	.	.	H	α-helix	trans	-56.6	-48.5	174.5	170.5	75.9	0	0	0	112	F292 S293 L299 L302 W317 F318 R323 A324 Q325 I327	F292-W321 HydrophobicContact CD1-CH2 4.21Å; F292-W321 AromaticContact CE1-CH2 3.99Å; F292-W321 HydrophobicContact CE1-CH2 3.99Å; F292-W321 HydrophobicContact CE1-CZ3 4.4Å; S293-W321 PolarHBondContact O-NE1 3.46Å; L299-W321 HydrophobicContact CD2-CH2 3.92Å; L302-W321 HydrophobicContact CD2-CH2 4.23Å; L302-W321 HydrophobicContact CD2-CZ3 3.9Å; W317-W321 HydrophobicContact CE3-CB 3.77Å; W317-W321 HydrophobicContact CE3-CG 4.24Å; W317-W321 HydrophobicContact CZ3-CB 3.91Å; W317-W321 AromaticContact CZ3-CD2 3.89Å; W317-W321 HydrophobicContact CZ3-CD2 3.89Å; W317-W321 AromaticContact CZ3-CE3 3.92Å; W317-W321 HydrophobicContact CZ3-CE3 3.92Å; W317-W321 AromaticContact CZ3-CG 3.91Å; W317-W321 HydrophobicContact CZ3-CG 3.91Å; W317-W321 PolarHBondContact O-N 2.81Å; F318-W321 AromaticContact CD2-CE3 3.89Å; F318-W321 HydrophobicContact CD2-CE3 3.89Å; F318-W321 HydrophobicContact CD2-CZ3 4.07Å; F318-W321 AromaticContact CE2-CE3 3.91Å; F318-W321 HydrophobicContact CE2-CE3 3.91Å; F318-W321 AromaticContact CE2-CZ3 3.64Å; F318-W321 HydrophobicContact CE2-CZ3 3.64Å; F318-W321 PolarHBondContact O-N 2.84Å; W321-R323 PolarHBondContact O-N 3.15Å; W321-A324 PolarHBondContact O-N 3.07Å; W321-A324 VanDerWaalsContact O-N 3.11Å; W321-Q325 PolarHBondContact O-N 2.99Å; W321-I327 HydrophobicContact CD2-CD1 4.02Å; W321-I327 HydrophobicContact CE3-CD1 4.05Å; W321-I327 HydrophobicContact CH2-CD1 3.4Å; W321-I327 HydrophobicContact CZ2-CD1 3.34Å; W321-I327 HydrophobicContact CZ3-CD1 3.74Å
322	L	96	Very high	94.4	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-53.4	-39.1	174.9	-72.5	179.2	0	0	0	113.1	L302 F318 S326 I327 L329 K349	L302-L322 HydrophobicContact CD2-CD2 4.38Å; F318-L322 HydrophobicContact CD1-CD1 4.06Å; F318-L322 HydrophobicContact CD1-CG 4.46Å; F318-L322 HydrophobicContact CE1-CD1 3.46Å; F318-L322 VanDerWaalsContact CE1-CD1 3.46Å; F318-L322 HydrophobicContact CE1-CG 4.05Å; F318-L322 HydrophobicContact CE2-CD2 4.38Å; F318-L322 HydrophobicContact CE2-CG 4.39Å; F318-L322 HydrophobicContact CZ-CD1 3.79Å; F318-L322 HydrophobicContact CZ-CD2 4.04Å; F318-L322 HydrophobicContact CZ-CG 4Å; F318-L322 WeakPolarHBondContact O-CG 3.23Å; F318-L322 PolarHBondContact O-N 2.83Å; L322-S326 CarbonylContact O-C 3.57Å; L322-S326 PolarHBondContact O-N 3.01Å; L322-I327 HydrophobicContact CD2-CB 3.75Å; L322-I327 HydrophobicContact CD2-CD1 4.4Å; L322-I327 HydrophobicContact CD2-CG2 3.7Å; L322-I327 PolarHBondContact O-N 2.77Å; L322-L329 HydrophobicContact CD1-CB 4.15Å; L322-L329 HydrophobicContact CD1-CD1 4.36Å; L322-L329 HydrophobicContact CD1-CD2 4.2Å; L322-L329 HydrophobicContact CD1-CG 4.48Å; L322-K349 HydrophobicContact CD1-CG 4.4Å
323	R	94.6	Very high	94.2	Very high	146 Å²	146	56.3 Å²	56.3	55%	0.551	29%	0.286	S	S	*	.	H	α-helix	trans	-77.7	-38	178.5	-77.1	-177.7	-76.5	178.5	-9.5	112.7	P319 R320 W321 S326	P319-R323 PolarHBondContact O-NE 3.47Å; R320-R323 PolarHBondContact O-N 2.7Å; R320-R323 VanDerWaalsContact O-N 3.14Å; W321-R323 PolarHBondContact O-N 3.15Å; R323-S326 PolarHBondContact O-N 3.03Å
324	A	94.5	Very high	94	Very high	75 Å²	75	58.3 Å²	58.3	62%	0.62	29%	0.29	S	S	*	.	H	α-helix	trans	-68.3	-39.8	-179.4	0	0	0	0	0	112.1	R320 W321	R320-A324 WeakPolarHBondContact O-CB 3.33Å; R320-A324 PolarHBondContact O-N 3.22Å; W321-A324 PolarHBondContact O-N 3.07Å; W321-A324 VanDerWaalsContact O-N 3.11Å
325	Q	93.6	Very high	94.1	Very high	121 Å²	121	53.5 Å²	53.5	57%	0.565	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	5.4	177.7	-59.6	-59.4	-8.6	0	0	113.4	W321 I327	W321-Q325 PolarHBondContact O-N 2.99Å; Q325-I327 HydrophobicContact CB-CD1 3.75Å; Q325-I327 HydrophobicContact CB-CG1 3.73Å; Q325-I327 HydrophobicContact CG-CD1 4.49Å; Q325-I327 PolarHBondContact O-N 3.29Å; Q325-I327 VanDerWaalsContact O-N 3.16Å
326	S	95.1	Very high	93.8	Very high	101 Å²	101	57.8 Å²	57.8	71%	0.706	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	26.8	-178.1	-56	0	0	0	0	115.6	L322 R323 T328	L322-S326 CarbonylContact O-C 3.57Å; L322-S326 PolarHBondContact O-N 3.01Å; R323-S326 PolarHBondContact O-N 3.03Å; S326-T328 PolarHBondContact O-N 3.02Å
327	I	96.6	Very high	93.7	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.026	28%	0.279	C	S	.	.			trans	-68.7	128.7	-174.4	-60.5	170.3	0	0	0	111.2	L299 L302 W321 L322 Q325 L329	L299-I327 HydrophobicContact CD2-CD1 4.49Å; L299-I327 WeakPolarHBondContact O-CG1 3.16Å; L302-I327 HydrophobicContact CB-CG2 3.97Å; W321-I327 HydrophobicContact CD2-CD1 4.02Å; W321-I327 HydrophobicContact CE3-CD1 4.05Å; W321-I327 HydrophobicContact CH2-CD1 3.4Å; W321-I327 HydrophobicContact CZ2-CD1 3.34Å; W321-I327 HydrophobicContact CZ3-CD1 3.74Å; L322-I327 HydrophobicContact CD2-CB 3.75Å; L322-I327 HydrophobicContact CD2-CD1 4.4Å; L322-I327 HydrophobicContact CD2-CG2 3.7Å; L322-I327 PolarHBondContact O-N 2.77Å; Q325-I327 HydrophobicContact CB-CD1 3.75Å; Q325-I327 HydrophobicContact CB-CG1 3.73Å; Q325-I327 HydrophobicContact CG-CD1 4.49Å; Q325-I327 PolarHBondContact O-N 3.29Å; Q325-I327 VanDerWaalsContact O-N 3.16Å; I327-L329 PolarHBondContact O-N 3.48Å; I327-L329 VanDerWaalsContact O-N 3.07Å
328	T	96.9	Very high	93.2	Very high	76 Å²	76	56.8 Å²	56.8	47%	0.466	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	93.1	174.1	-62.2	0	0	0	0	109.9	E300 K301 L302 S326 E330	E300-T328 PolarHBondContact O-N 2.83Å; K301-T328 WeakPolarHBondContact CA-O 3.42Å; L302-T328 PolarHBondContact N-O 2.99Å; S326-T328 PolarHBondContact O-N 3.02Å; T328-E330 HydrophobicContact CG2-CG 4.48Å; T328-E330 PolarHBondContact O-N 2.82Å; T328-E330 VanDerWaalsContact O-N 3.08Å
329	L	96.8	Very high	92.4	Very high	5 Å²	5	58 Å²	58	3%	0.026	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	104.6	166	-176.2	74.9	0	0	0	110.2	L302 I304 L322 I327 T332 T335 K349	L302-L329 CarbonylContact O-C 3.56Å; L302-L329 WeakPolarHBondContact O-CA 3.48Å; I304-L329 HydrophobicContact CD1-CD1 3.85Å; I304-L329 HydrophobicContact CG1-CD1 3.48Å; I304-L329 VanDerWaalsContact CG1-CD1 3.48Å; L322-L329 HydrophobicContact CD1-CB 4.15Å; L322-L329 HydrophobicContact CD1-CD1 4.36Å; L322-L329 HydrophobicContact CD1-CD2 4.2Å; L322-L329 HydrophobicContact CD1-CG 4.48Å; I327-L329 PolarHBondContact O-N 3.48Å; I327-L329 VanDerWaalsContact O-N 3.07Å; L329-T332 PolarHBondContact O-OG1 2.94Å; L329-T335 HydrophobicContact CD1-CG2 4.39Å; L329-T335 HydrophobicContact CD2-CG2 4.12Å; L329-K349 HydrophobicContact CB-CD 4.04Å; L329-K349 HydrophobicContact CD2-CB 3.74Å; L329-K349 HydrophobicContact CD2-CD 4.06Å; L329-K349 HydrophobicContact CD2-CG 4.19Å
330	E	95.6	Very high	91.7	Very high	76 Å²	76	58.8 Å²	58.8	36%	0.355	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	160.6	174.2	-59.8	-157.3	145.2	0	0	111.2	K301 L302 A303 T328 T332	K301-E330 HydrophobicContact CB-CG 4.33Å; K301-E330 HydrophobicContact CD-CG 4.49Å; K301-E330 VanDerWaalsContact CD-OE1 3.28Å; K301-E330 WeakPolarHBondContact CD-OE1 3.21Å; L302-E330 PolarHBondContact O-N 2.57Å; A303-E330 HydrophobicContact CB-CB 4.16Å; T328-E330 HydrophobicContact CG2-CG 4.48Å; T328-E330 PolarHBondContact O-N 2.82Å; T328-E330 VanDerWaalsContact O-N 3.08Å; E330-T332 PolarHBondContact O-N 2.77Å
331	R	92.4	Very high	90.8	Very high	97 Å²	97	53.6 Å²	53.6	37%	0.366	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	39.8	-179.2	-59.8	175.2	67.5	-178.2	0	112.3	A305 E306 E333 E334 T335	A305-R331 HydrophobicContact CB-CB 3.67Å; E306-R331 IonicContact OE1-CZ 3.36Å; E306-R331 IonicContact OE1-NH1 3.77Å; E306-R331 IonicContact OE1-NH2 3.7Å; E306-R331 PolarHBondContact OE1-NH2 3.2Å; R331-E333 VanDerWaalsContact C-N 3.27Å; R331-E333 PolarHBondContact O-N 2.79Å; R331-E333 VanDerWaalsContact O-N 3.17Å; R331-E334 IonicContact CZ-OE2 2.79Å; R331-E334 IonicContact NE-OE2 3.61Å; R331-E334 PolarHBondContact NE-OE2 2.81Å; R331-E334 IonicContact NH2-OE2 3.89Å; R331-E334 PolarHBondContact NH2-OE2 3.42Å; R331-E334 PolarHBondContact O-N 2.79Å; R331-T335 PolarHBondContact O-N 2.88Å; R331-T335 PolarHBondContact O-OG1 2.98Å
332	T	92	Very high	89.9	Confident	29 Å²	29	59.1 Å²	59.1	18%	0.178	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-38.8	-173.5	-79.4	0	0	0	0	112.6	L329 E330 E334 T335 V347 K349	L329-T332 PolarHBondContact O-OG1 2.94Å; E330-T332 PolarHBondContact O-N 2.77Å; T332-E334 PolarHBondContact O-N 2.78Å; T332-T335 PolarHBondContact O-N 3.06Å; T332-V347 HydrophobicContact CG2-CG1 3.59Å; T332-V347 WeakPolarHBondContact O-CG1 3.15Å; T332-K349 HydrophobicContact CG2-CB 4.26Å; T332-K349 HydrophobicContact CG2-CD 4.22Å
333	E	87.4	Confident	89.4	Confident	88 Å²	88	59.1 Å²	59.1	41%	0.411	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.5	178.4	-68.2	-57.8	150.1	0	0	114.4	R331 R336 V347 R350	R331-E333 VanDerWaalsContact C-N 3.27Å; R331-E333 PolarHBondContact O-N 2.79Å; R331-E333 VanDerWaalsContact O-N 3.17Å; E333-R336 PolarHBondContact O-NE 2.93Å; E333-R336 PolarHBondContact O-NH2 3.41Å; E333-R336 IonicContact OE2-CZ 3.67Å; E333-R336 IonicContact OE2-NH2 3.16Å; E333-R336 PolarHBondContact OE2-NH2 3.08Å; E333-V347 WeakPolarHBondContact OE2-CG2 3.45Å; E333-R350 IonicContact OE1-CZ 3.69Å; E333-R350 IonicContact OE1-NH1 2.86Å; E333-R350 PolarHBondContact OE1-NH1 3.45Å; E333-R350 IonicContact OE1-NH2 2.74Å; E333-R350 PolarHBondContact OE1-NH2 3.47Å; E333-R350 IonicContact OE2-NH1 3.71Å; E333-R350 PolarHBondContact OE2-NH1 3.18Å
334	E	87.2	Confident	88.7	Confident	97 Å²	97	53 Å²	53	45%	0.453	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-12.5	175.4	-67.7	157.4	-156.2	0	0	111.5	A305 E306 R331 T332 R336	A305-E334 HydrophobicContact CB-CB 3.79Å; E306-E334 PolarHBondContact N-O 3.04Å; R331-E334 IonicContact CZ-OE2 2.79Å; R331-E334 IonicContact NE-OE2 3.61Å; R331-E334 PolarHBondContact NE-OE2 2.81Å; R331-E334 IonicContact NH2-OE2 3.89Å; R331-E334 PolarHBondContact NH2-OE2 3.42Å; R331-E334 PolarHBondContact O-N 2.79Å; T332-E334 PolarHBondContact O-N 2.78Å; E334-R336 PolarHBondContact O-N 3.15Å; E334-R336 VanDerWaalsContact O-N 3.15Å
335	T	92.9	Very high	88	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	27%	0.265	C	S	.	.			trans	-84.9	81.8	172.8	-53.8	0	0	0	0	110	I304 F309 L329 R331 T332 L348	I304-T335 HydrophobicContact CD1-CG2 3.46Å; I304-T335 VanDerWaalsContact CD1-CG2 3.46Å; I304-T335 HydrophobicContact CG1-CG2 3.66Å; F309-T335 HydrophobicContact CE2-CG2 4.18Å; L329-T335 HydrophobicContact CD1-CG2 4.39Å; L329-T335 HydrophobicContact CD2-CG2 4.12Å; R331-T335 PolarHBondContact O-N 2.88Å; R331-T335 PolarHBondContact O-OG1 2.98Å; T332-T335 PolarHBondContact O-N 3.06Å; T335-L348 HydrophobicContact CG2-CB 4.06Å; T335-L348 HydrophobicContact CG2-CD2 4.01Å; T335-L348 PolarHBondContact O-N 2.87Å
336	R	89.1	Confident	87.7	Confident	91 Å²	91	48.4 Å²	48.4	34%	0.343	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-114	150.8	-176.1	-65.7	178.9	-173.4	-83.6	-14.6	112.4	E333 E334 G345 K346 V347	E333-R336 PolarHBondContact O-NE 2.93Å; E333-R336 PolarHBondContact O-NH2 3.41Å; E333-R336 IonicContact OE2-CZ 3.67Å; E333-R336 IonicContact OE2-NH2 3.16Å; E333-R336 PolarHBondContact OE2-NH2 3.08Å; E334-R336 PolarHBondContact O-N 3.15Å; E334-R336 VanDerWaalsContact O-N 3.15Å; R336-G345 WeakPolarHBondContact CD-O 3.42Å; R336-G345 PolarHBondContact NH1-O 2.94Å; R336-K346 CarbonylContact C-O 3.18Å; R336-K346 VanDerWaalsContact CA-O 3.26Å; R336-K346 WeakPolarHBondContact CA-O 3.26Å; R336-K346 WeakPolarHBondContact CB-O 3.23Å; R336-V347 HydrophobicContact CG-CG2 4.23Å
337	C	90.2	Very high	87.6	Confident	4 Å²	4	44 Å²	44	3%	0.027	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	138.5	166.9	-67.1	0	0	0	0	110.5	C311 S343 A344 G345 K346 L351	C311-C337 HydrophobicContact CB-CB 3.77Å; C311-C337 WeakPolarHBondContact CB-SG 3.36Å; C311-C337 WeakPolarHBondContact SG-CA 3.17Å; C311-C337 WeakPolarHBondContact SG-CB 3.24Å; C311-C337 CovalentContact SG-SG 2.02Å; C311-C337 PolarHBondContact SG-SG 2.9Å; C337-S343 VanDerWaalsContact CB-O 3.23Å; C337-S343 WeakPolarHBondContact CB-O 3.46Å; C337-A344 CarbonylContact O-C 3.5Å; C337-A344 WeakPolarHBondContact O-CA 3.47Å; C337-G345 PolarHBondContact O-N 3.43Å; C337-K346 PolarHBondContact N-O 2.79Å; C337-L351 WeakPolarHBondContact SG-CD1 3.49Å
338	H	84.9	Confident	87.5	Confident	9 Å²	9	43.7 Å²	43.7	4%	0.042	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-35.2	176.5	-175.8	65.9	0	0	0	111.4	P308 F309 A344 Y519 L532 Y541 R544	P308-H338 HydrophobicContact CB-CB 4.17Å; F309-H338 PolarHBondContact O-N 2.89Å; H338-A344 VanDerWaalsContact O-CB 3.31Å; H338-A344 WeakPolarHBondContact O-CB 3.22Å; H338-Y519 AromaticContact CE1-CE1 3.69Å; H338-Y519 AromaticContact CE1-CZ 3.56Å; H338-Y519 PolarHBondContact CE1-OH 3.01Å; H338-Y519 AromaticContact NE2-CE1 3.27Å; H338-Y519 VanDerWaalsContact NE2-CE1 3.27Å; H338-Y519 WeakPolarHBondContact NE2-CE1 3.48Å; H338-Y519 AromaticContact NE2-CZ 3.52Å; H338-Y519 PolarHBondContact NE2-OH 3.25Å; H338-Y519 VanDerWaalsContact NE2-OH 3.07Å; H338-L532 WeakPolarHBondContact NE2-CD1 3.01Å; H338-Y541 PolarHBondContact O-OH 2.73Å; H338-R544 PolarHBondContact CE1-O 3.31Å; H338-R544 PolarHBondContact ND1-O 3.08Å
339	F	79.9	Confident	87.3	Confident	25 Å²	25	43.3 Å²	43.3	11%	0.11	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	156.6	175.5	-176.8	-96.2	0	0	0	109.3	F309 N310 C311 L312 L532 N533 L534	F309-F339 PolarHBondContact O-N 2.61Å; F309-F339 VanDerWaalsContact O-N 3.14Å; N310-F339 HydrophobicContact CB-CD1 4.44Å; N310-F339 WeakPolarHBondContact OD1-CB 3.47Å; C311-F339 WeakPolarHBondContact CB-O 3.47Å; C311-F339 PolarHBondContact N-O 2.92Å; L312-F339 HydrophobicContact CD1-CD1 4.34Å; L312-F339 HydrophobicContact CD1-CE1 4.07Å; L312-F339 HydrophobicContact CD2-CD1 4.25Å; L312-F339 HydrophobicContact CD2-CE1 3.92Å; L312-F339 HydrophobicContact CG-CD1 4.28Å; L312-F339 HydrophobicContact CG-CE1 4.25Å; F339-L532 HydrophobicContact CB-CD2 3.84Å; F339-L532 HydrophobicContact CD2-CD2 3.84Å; F339-L532 HydrophobicContact CG-CD2 4.14Å; F339-N533 WeakPolarHBondContact CE2-O 3.19Å; F339-N533 VanDerWaalsContact CZ-O 3.24Å; F339-N533 WeakPolarHBondContact CZ-O 3.36Å; F339-L534 HydrophobicContact CE2-CD2 4.28Å
340	P	81.6	Confident	87.2	Confident	20 Å²	20	50.6 Å²	50.6	13%	0.13	24%	0.24	C	C	.	.	S	Bend	cis	-69.6	166.9	-9.5	31.1	-36.1	0	0	0	112.9	C311 L312 I342 S343 A344	C311-P340 WeakPolarHBondContact O-CD 3.47Å; L312-P340 HydrophobicContact CD2-CB 4.41Å; L312-P340 HydrophobicContact CD2-CG 4.16Å; P340-I342 HydrophobicContact CB-CG2 4.35Å; P340-I342 HydrophobicContact CG-CG2 3.94Å; P340-I342 PolarHBondContact O-N 2.68Å; P340-I342 VanDerWaalsContact O-N 3.1Å; P340-S343 CarbonylContact O-C 3.42Å; P340-S343 PolarHBondContact O-N 2.73Å; P340-A344 PolarHBondContact O-N 3.19Å
341	P	73.6	Confident	87	Confident	36 Å²	36	47.3 Å²	47.3	23%	0.234	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-32	-175.4	-27	35.5	0	0	0	114.8	S343 L534 F538 Y541	P341-S343 VanDerWaalsContact C-N 3.27Å; P341-S343 PolarHBondContact O-N 3.21Å; P341-L534 HydrophobicContact CG-CD2 4.35Å; P341-F538 HydrophobicContact CB-CD1 4.42Å; P341-F538 HydrophobicContact CB-CE1 3.55Å; P341-F538 HydrophobicContact CB-CZ 3.8Å; P341-F538 HydrophobicContact CG-CD1 4.24Å; P341-F538 HydrophobicContact CG-CE1 3.63Å; P341-F538 HydrophobicContact CG-CE2 4.25Å; P341-F538 HydrophobicContact CG-CZ 3.64Å; P341-Y541 HydrophobicContact CB-CD2 4.41Å; P341-Y541 HydrophobicContact CB-CE2 4.06Å; P341-Y541 HydrophobicContact CG-CD2 4.17Å; P341-Y541 HydrophobicContact CG-CE2 3.81Å
342	I	77.9	Confident	87	Confident	138 Å²	138	46.8 Å²	46.8	71%	0.708	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.1	176.5	-169.3	166.3	0	0	0	114.1	P340 K346	P340-I342 HydrophobicContact CB-CG2 4.35Å; P340-I342 HydrophobicContact CG-CG2 3.94Å; P340-I342 PolarHBondContact O-N 2.68Å; P340-I342 VanDerWaalsContact O-N 3.1Å; I342-K346 VanDerWaalsContact O-CE 3.26Å; I342-K346 WeakPolarHBondContact O-CE 3.49Å; I342-K346 PolarHBondContact O-NZ 3.21Å
343	S	83.6	Confident	86.8	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.007	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-6.8	179	-65.9	0	0	0	0	112.7	C337 P340 P341 G345 K346 D355	C337-S343 VanDerWaalsContact CB-O 3.23Å; C337-S343 WeakPolarHBondContact CB-O 3.46Å; P340-S343 CarbonylContact O-C 3.42Å; P340-S343 PolarHBondContact O-N 2.73Å; P341-S343 VanDerWaalsContact C-N 3.27Å; P341-S343 PolarHBondContact O-N 3.21Å; S343-G345 PolarHBondContact O-N 3.09Å; S343-K346 VanDerWaalsContact O-CB 3.28Å; S343-K346 WeakPolarHBondContact O-CB 3.41Å; S343-K346 WeakPolarHBondContact O-CG 3.48Å; S343-K346 PolarHBondContact O-N 2.93Å; S343-D355 PolarHBondContact OG-O 2.86Å
344	A	80.9	Confident	86.8	Confident	19 Å²	19	53 Å²	53	16%	0.157	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	129.5	178.2	0	0	0	0	0	112.3	C337 H338 P340 K346	C337-A344 CarbonylContact O-C 3.5Å; C337-A344 WeakPolarHBondContact O-CA 3.47Å; H338-A344 VanDerWaalsContact O-CB 3.31Å; H338-A344 WeakPolarHBondContact O-CB 3.22Å; P340-A344 PolarHBondContact O-N 3.19Å; A344-K346 VanDerWaalsContact C-N 3.29Å; A344-K346 PolarHBondContact O-N 2.92Å
345	G	79.5	Confident	86.9	Confident	25 Å²	25	50.7 Å²	50.7	26%	0.258	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-11.3	-176	0	0	0	0	0	115.5	R336 C337 S343	R336-G345 WeakPolarHBondContact CD-O 3.42Å; R336-G345 PolarHBondContact NH1-O 2.94Å; C337-G345 PolarHBondContact O-N 3.43Å; S343-G345 PolarHBondContact O-N 3.09Å
346	K	88.3	Confident	86.7	Confident	74 Å²	74	50.8 Å²	50.8	32%	0.322	24%	0.24	S	C	.	.	S	Bend	trans	-70.4	146.8	171.5	-60	-177.4	-176.4	169.1	0	110.4	R336 C337 I342 S343 A344 L351 D355	R336-K346 CarbonylContact C-O 3.18Å; R336-K346 VanDerWaalsContact CA-O 3.26Å; R336-K346 WeakPolarHBondContact CA-O 3.26Å; R336-K346 WeakPolarHBondContact CB-O 3.23Å; C337-K346 PolarHBondContact N-O 2.79Å; I342-K346 VanDerWaalsContact O-CE 3.26Å; I342-K346 WeakPolarHBondContact O-CE 3.49Å; I342-K346 PolarHBondContact O-NZ 3.21Å; S343-K346 VanDerWaalsContact O-CB 3.28Å; S343-K346 WeakPolarHBondContact O-CB 3.41Å; S343-K346 WeakPolarHBondContact O-CG 3.48Å; S343-K346 PolarHBondContact O-N 2.93Å; A344-K346 VanDerWaalsContact C-N 3.29Å; A344-K346 PolarHBondContact O-N 2.92Å; K346-L351 HydrophobicContact CB-CD2 3.85Å; K346-L351 HydrophobicContact CD-CD2 3.63Å; K346-L351 HydrophobicContact CG-CD2 4.41Å; K346-D355 IonicContact NZ-OD1 2.74Å; K346-D355 PolarHBondContact NZ-OD1 2.87Å
347	V	92.9	Very high	86.5	Confident	7 Å²	7	49.6 Å²	49.6	4%	0.042	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-75.6	124.3	177.2	169.3	0	0	0	0	110.2	T332 E333 R336 K349 R350	T332-V347 HydrophobicContact CG2-CG1 3.59Å; T332-V347 WeakPolarHBondContact O-CG1 3.15Å; E333-V347 WeakPolarHBondContact OE2-CG2 3.45Å; R336-V347 HydrophobicContact CG-CG2 4.23Å; V347-K349 HydrophobicContact CG1-CB 4.32Å; V347-K349 PolarHBondContact O-N 3.09Å; V347-R350 HydrophobicContact CB-CG 4.3Å; V347-R350 HydrophobicContact CG1-CG 4.1Å; V347-R350 PolarHBondContact O-N 2.97Å; V347-R350 VanDerWaalsContact O-N 3.08Å
348	L	93.8	Very high	86.3	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-58	-43.1	-171.5	178.7	60.1	0	0	0	112.7	I304 F309 L315 F318 P319 T335 R350 L351 F356	I304-L348 HydrophobicContact CD1-CD2 4.07Å; F309-L348 HydrophobicContact CD2-CD2 4.14Å; F309-L348 HydrophobicContact CE2-CD2 4.33Å; F309-L348 HydrophobicContact CG-CD2 4.27Å; L315-L348 HydrophobicContact CD2-CD1 4.03Å; L315-L348 HydrophobicContact CD2-CD2 4.42Å; L315-L348 HydrophobicContact CG-CD1 4.47Å; F318-L348 HydrophobicContact CD1-CD2 3.69Å; F318-L348 HydrophobicContact CD1-CG 4.06Å; F318-L348 HydrophobicContact CE1-CD2 3.64Å; F318-L348 HydrophobicContact CE1-CG 4.24Å; P319-L348 HydrophobicContact CG-CD1 4.27Å; P319-L348 WeakPolarHBondContact CG-O 3.28Å; T335-L348 HydrophobicContact CG2-CB 4.06Å; T335-L348 HydrophobicContact CG2-CD2 4.01Å; T335-L348 PolarHBondContact O-N 2.87Å; L348-R350 PolarHBondContact O-N 3.31Å; L348-R350 VanDerWaalsContact O-N 3.16Å; L348-L351 PolarHBondContact O-N 3.07Å; L348-F356 HydrophobicContact CD1-CE1 4.04Å; L348-F356 HydrophobicContact CD1-CZ 3.91Å
349	K	93.4	Very high	86.2	Confident	67 Å²	67	55.7 Å²	55.7	29%	0.291	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-59.2	-26.5	179.5	-162.6	178.9	-168	170.5	0	113.8	L322 L329 T332 V347	L322-K349 HydrophobicContact CD1-CG 4.4Å; L329-K349 HydrophobicContact CB-CD 4.04Å; L329-K349 HydrophobicContact CD2-CB 3.74Å; L329-K349 HydrophobicContact CD2-CD 4.06Å; L329-K349 HydrophobicContact CD2-CG 4.19Å; T332-K349 HydrophobicContact CG2-CB 4.26Å; T332-K349 HydrophobicContact CG2-CD 4.22Å; V347-K349 HydrophobicContact CG1-CB 4.32Å; V347-K349 PolarHBondContact O-N 3.09Å
350	R	94.1	Very high	85.6	Confident	159 Å²	159	60.8 Å²	60.8	60%	0.6	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-90.2	-6.5	-175.4	-64.1	-176.5	177.2	122.1	6.8	113.5	E333 V347 L348	E333-R350 IonicContact OE1-CZ 3.69Å; E333-R350 IonicContact OE1-NH1 2.86Å; E333-R350 PolarHBondContact OE1-NH1 3.45Å; E333-R350 IonicContact OE1-NH2 2.74Å; E333-R350 PolarHBondContact OE1-NH2 3.47Å; E333-R350 IonicContact OE2-NH1 3.71Å; E333-R350 PolarHBondContact OE2-NH1 3.18Å; V347-R350 HydrophobicContact CB-CG 4.3Å; V347-R350 HydrophobicContact CG1-CG 4.1Å; V347-R350 PolarHBondContact O-N 2.97Å; V347-R350 VanDerWaalsContact O-N 3.08Å; L348-R350 PolarHBondContact O-N 3.31Å; L348-R350 VanDerWaalsContact O-N 3.16Å
351	L	92.4	Very high	84.4	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.037	36%	0.364	C	S	.	.			trans	-80.1	144.4	-176.7	-63.5	-166.5	0	0	0	112.9	C311 C337 K346 L348 D355 F356	C311-L351 HydrophobicContact CB-CD1 4.37Å; C337-L351 WeakPolarHBondContact SG-CD1 3.49Å; K346-L351 HydrophobicContact CB-CD2 3.85Å; K346-L351 HydrophobicContact CD-CD2 3.63Å; K346-L351 HydrophobicContact CG-CD2 4.41Å; L348-L351 PolarHBondContact O-N 3.07Å; L351-D355 HydrophobicContact CB-CB 4.08Å; L351-D355 HydrophobicContact CD1-CB 4.16Å; L351-D355 HydrophobicContact CD2-CB 3.91Å; L351-D355 HydrophobicContact CG-CB 4.27Å; L351-F356 HydrophobicContact CB-CD2 4.43Å; L351-F356 HydrophobicContact CB-CE2 3.52Å; L351-F356 HydrophobicContact CB-CZ 3.79Å; L351-F356 HydrophobicContact CD1-CE1 4.32Å; L351-F356 HydrophobicContact CD1-CE2 4.2Å; L351-F356 HydrophobicContact CD1-CZ 3.91Å; L351-F356 HydrophobicContact CG-CZ 4.46Å
352	E	90.6	Very high	83	Confident	86 Å²	86	70.5 Å²	70.5	40%	0.402	39%	0.388	S	S	.	.			trans	-101.1	162.9	170.5	-63.9	-173.3	166.5	0	0	111	R354 D355 F356	E352-R354 HydrophobicContact CB-CG 4.07Å; E352-R354 PolarHBondContact O-N 3.25Å; E352-R354 IonicContact OE1-NH2 3.13Å; E352-R354 IonicContact OE2-CZ 3.73Å; E352-R354 IonicContact OE2-NE 2.68Å; E352-R354 PolarHBondContact OE2-NE 3.13Å; E352-R354 IonicContact OE2-NH2 2.77Å; E352-R354 PolarHBondContact OE2-NH2 3.07Å; E352-D355 PolarHBondContact N-OD2 3.17Å; E352-D355 WeakPolarHBondContact O-CB 3.48Å; E352-D355 PolarHBondContact O-N 2.87Å; E352-F356 VanDerWaalsContact O-CD2 3.22Å; E352-F356 WeakPolarHBondContact O-CD2 3.47Å
353	T	89.1	Confident	81.1	Confident	52 Å²	52	68 Å²	68	32%	0.319	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-53.5	-27.3	-177.9	-56.2	0	0	0	0	113.8	A316 R320 C358	A316-T353 HydrophobicContact CB-CG2 4.19Å; R320-T353 PolarHBondContact NH2-OG1 3.24Å; T353-C358 HydrophobicContact CG2-CB 4.32Å
354	R	86.8	Confident	78.9	Confident	196 Å²	196	76.1 Å²	76.1	74%	0.74	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-68	-31.8	173.4	55.8	177.1	141	-162.1	-4.6	114.6	E352 F356 G357	E352-R354 HydrophobicContact CB-CG 4.07Å; E352-R354 PolarHBondContact O-N 3.25Å; E352-R354 IonicContact OE1-NH2 3.13Å; E352-R354 IonicContact OE2-CZ 3.73Å; E352-R354 IonicContact OE2-NE 2.68Å; E352-R354 PolarHBondContact OE2-NE 3.13Å; E352-R354 IonicContact OE2-NH2 2.77Å; E352-R354 PolarHBondContact OE2-NH2 3.07Å; R354-F356 PolarHBondContact O-N 3.03Å; R354-G357 PolarHBondContact O-N 3.13Å
355	D	89.1	Confident	76.5	Confident	47 Å²	47	80.9 Å²	80.9	25%	0.251	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-70.5	-15.4	179.8	-69.3	-75.1	0	0	0	113.6	S343 K346 L351 E352	S343-D355 PolarHBondContact OG-O 2.86Å; K346-D355 IonicContact NZ-OD1 2.74Å; K346-D355 PolarHBondContact NZ-OD1 2.87Å; L351-D355 HydrophobicContact CB-CB 4.08Å; L351-D355 HydrophobicContact CD1-CB 4.16Å; L351-D355 HydrophobicContact CD2-CB 3.91Å; L351-D355 HydrophobicContact CG-CB 4.27Å; E352-D355 PolarHBondContact N-OD2 3.17Å; E352-D355 WeakPolarHBondContact O-CB 3.48Å; E352-D355 PolarHBondContact O-N 2.87Å
356	F	89.8	Confident	74.5	Confident	4 Å²	4	86 Å²	86	2%	0.018	48%	0.482	C	S	.	.	G	3₁₀ helix	trans	-90.5	0.4	178.9	-66	-89.7	0	0	0	113.4	C311 L312 C313 L315 A316 P319 L348 L351 E352 R354 C358	C311-F356 VanDerWaalsContact C-CD1 3.5Å; C311-F356 HydrophobicContact CB-CD1 3.88Å; C311-F356 HydrophobicContact CB-CE1 3.72Å; L312-F356 CarbonylContact C-O 3.5Å; L312-F356 VanDerWaalsContact O-CD1 3.29Å; L312-F356 WeakPolarHBondContact O-CD1 3.24Å; C313-F356 PolarHBondContact N-O 3.28Å; C313-F356 VanDerWaalsContact N-O 3.11Å; L315-F356 HydrophobicContact CB-CD1 4.36Å; L315-F356 HydrophobicContact CB-CE1 4.1Å; L315-F356 HydrophobicContact CG-CE1 4.32Å; A316-F356 HydrophobicContact CB-CB 3.86Å; A316-F356 HydrophobicContact CB-CD1 4.3Å; A316-F356 HydrophobicContact CB-CD2 3.75Å; A316-F356 HydrophobicContact CB-CE2 4.38Å; A316-F356 HydrophobicContact CB-CG 3.71Å; P319-F356 HydrophobicContact CG-CE2 4.07Å; P319-F356 HydrophobicContact CG-CZ 3.72Å; L348-F356 HydrophobicContact CD1-CE1 4.04Å; L348-F356 HydrophobicContact CD1-CZ 3.91Å; L351-F356 HydrophobicContact CB-CD2 4.43Å; L351-F356 HydrophobicContact CB-CE2 3.52Å; L351-F356 HydrophobicContact CB-CZ 3.79Å; L351-F356 HydrophobicContact CD1-CE1 4.32Å; L351-F356 HydrophobicContact CD1-CE2 4.2Å; L351-F356 HydrophobicContact CD1-CZ 3.91Å; L351-F356 HydrophobicContact CG-CZ 4.46Å; E352-F356 VanDerWaalsContact O-CD2 3.22Å; E352-F356 WeakPolarHBondContact O-CD2 3.47Å; R354-F356 PolarHBondContact O-N 3.03Å; F356-C358 VanDerWaalsContact C-N 3.31Å; F356-C358 PolarHBondContact O-N 3.18Å
357	G	84.1	Confident	71.8	Confident	65 Å²	65	87.9 Å²	87.9	67%	0.67	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	27.9	178.8	0	0	0	0	0	114.4	R354	R354-G357 PolarHBondContact O-N 3.13Å
358	C	86.4	Confident	69.3	Low	33 Å²	33	94 Å²	94	22%	0.223	54%	0.538	C	S	.	.			trans	-60.7	142.5	175.6	-72.6	0	0	0	0	112	C313 T353 F356 T360	C313-C358 WeakPolarHBondContact CA-SG 3.44Å; C313-C358 HydrophobicContact CB-CB 3.96Å; C313-C358 WeakPolarHBondContact CB-SG 3.27Å; C313-C358 WeakPolarHBondContact SG-CA 3.34Å; C313-C358 WeakPolarHBondContact SG-CB 3.01Å; C313-C358 CovalentContact SG-SG 2.04Å; C313-C358 PolarHBondContact SG-SG 2.74Å; T353-C358 HydrophobicContact CG2-CB 4.32Å; F356-C358 VanDerWaalsContact C-N 3.31Å; F356-C358 PolarHBondContact O-N 3.18Å; C358-T360 PolarHBondContact O-N 3.41Å
359	P	82.3	Confident	66.5	Low	108 Å²	108	99.6 Å²	99.6	70%	0.701	57%	0.571	S	S	*	*			trans	-62.4	134.9	171.8	27.7	-33.8	0	0	0	109.9	T361	P359-T361 PolarHBondContact O-N 3.32Å; P359-T361 VanDerWaalsContact O-N 3.07Å
360	T	67.4	Low	63.8	Low	133 Å²	133	106.3 Å²	106.3	82%	0.816	60%	0.6	S	S	*	*			trans	-65.6	110.3	175.6	-44.6	0	0	0	0	108.9	C358 T362	C358-T360 PolarHBondContact O-N 3.41Å; T360-T362 PolarHBondContact O-N 3Å
361	T	56.6	Low	60.7	Low	137 Å²	137	104.1 Å²	104.1	84%	0.84	61%	0.605	S	S	*	*			trans	-67.3	98.3	175	-24.6	0	0	0	0	108.7	P359 A363	P359-T361 PolarHBondContact O-N 3.32Å; P359-T361 VanDerWaalsContact O-N 3.07Å; T361-A363 PolarHBondContact O-N 3.28Å
362	T	43.7	Very low	57.8	Low	123 Å²	123	110.2 Å²	110.2	76%	0.755	64%	0.643	S	S	*	*			trans	-65.9	90.1	169.3	-49.9	0	0	0	0	107.8	T360 M364	T360-T362 PolarHBondContact O-N 3Å; T362-M364 PolarHBondContact O-N 2.04Å
363	A	39.6	Very low	54.9	Low	86 Å²	86	112.6 Å²	112.6	71%	0.711	66%	0.663	S	S	*	*			trans	-61	103.6	168.4	0	0	0	0	0	107.4	T361 T365	T361-A363 PolarHBondContact O-N 3.28Å; A363-T365 VanDerWaalsContact C-N 3.3Å; A363-T365 PolarHBondContact O-N 3.27Å
364	M	35.7	Very low	52	Low	171 Å²	171	116.1 Å²	116.1	84%	0.842	69%	0.685	S	S	*	*			trans	-65.2	97.8	167.4	-83.8	-162.4	162.8	0	0	107.8	T362 T366	T362-M364 PolarHBondContact O-N 2.04Å; M364-T366 PolarHBondContact O-N 3.45Å
365	T	32.2	Very low	49.1	Very low	119 Å²	119	112 Å²	112	73%	0.73	68%	0.682	S	S	*	*			trans	-55.6	106.9	159.1	41.3	0	0	0	0	107.5	A363 T367	A363-T365 VanDerWaalsContact C-N 3.3Å; A363-T365 PolarHBondContact O-N 3.27Å; T365-T367 PolarHBondContact O-N 2.93Å
366	T	36.4	Very low	46.2	Very low	132 Å²	132	117.3 Å²	117.3	81%	0.81	71%	0.709	S	S	*	*			trans	-70.7	75.5	171.1	45.4	0	0	0	0	109.1	M364 T368	M364-T366 PolarHBondContact O-N 3.45Å; T366-T368 PolarHBondContact O-N 3.28Å; T366-T368 VanDerWaalsContact O-N 3.15Å
367	T	31.8	Very low	43.7	Very low	113 Å²	113	123 Å²	123	69%	0.693	75%	0.747	S	S	*	*			trans	-69.3	108.3	171.9	-50	0	0	0	0	108.1	T365 V369	T365-T367 PolarHBondContact O-N 2.93Å; T367-V369 PolarHBondContact O-N 2.91Å
368	T	40.1	Very low	41.1	Very low	137 Å²	137	124 Å²	124	84%	0.84	75%	0.748	S	S	*	*			trans	-66.2	100	180	25.7	0	0	0	0	111.4	T366 K370	T366-T368 PolarHBondContact O-N 3.28Å; T366-T368 VanDerWaalsContact O-N 3.15Å; T368-K370 PolarHBondContact O-N 2.86Å
369	V	34.7	Very low	38.3	Very low	117 Å²	117	128.8 Å²	128.8	71%	0.709	78%	0.779	S	S	*	*			trans	-88.2	105.3	165.7	-177.2	0	0	0	0	108.7	T367 T371	T367-V369 PolarHBondContact O-N 2.91Å; V369-T371 PolarHBondContact O-N 3.44Å
370	K	36.4	Very low	35.7	Very low	207 Å²	207	129.5 Å²	129.5	90%	0.9	78%	0.781	S	S	*	*			trans	-68.2	116.1	166	-82.1	-179.2	174.3	177.1	0	108.8	T368	T368-K370 PolarHBondContact O-N 2.86Å
371	T	29.3	Very low	33.8	Very low	114 Å²	114	130.1 Å²	130.1	70%	0.699	79%	0.785	S	S	*	*			trans	-120.6	112.1	163.4	-46.5	0	0	0	0	108.9	V369	V369-T371 PolarHBondContact O-N 3.44Å
372	T	31.3	Very low	32.4	Very low	135 Å²	135	128.8 Å²	128.8	83%	0.828	78%	0.777	S	S	*	*			trans	-68.4	134.8	173.8	37.9	0	0	0	0	111.1
373	T	29.5	Very low	31.8	Very low	136 Å²	136	130.2 Å²	130.2	83%	0.834	78%	0.779	S	S	*	*			trans	-134.4	130.1	170	-39.1	0	0	0	0	110.4
374	T	27.9	Very low	31.7	Very low	125 Å²	125	131.5 Å²	131.5	77%	0.767	78%	0.78	S	S	*	*			trans	-108.4	116.5	-171.5	-49.4	0	0	0	0	111
375	T	26.9	Very low	31.3	Very low	110 Å²	110	129.5 Å²	129.5	68%	0.675	78%	0.777	S	S	*	*			trans	23.6	119	158.2	57.9	0	0	0	0	123.4
376	L	27.8	Very low	31.1	Very low	159 Å²	159	130.1 Å²	130.1	83%	0.832	78%	0.781	S	S	*	*				69.2	161.8	127.6	-68.9	168.4	0	0	0	121.3
377	P	38.1	Very low	30.8	Very low	124 Å²	124	130 Å²	130	81%	0.805	78%	0.78	S	S	*	*			cis	-125.3	-176.9	-3.5	30.7	-8.8	0	0	0	115.9
378	A	28.3	Very low	30.7	Very low	85 Å²	85	135.6 Å²	135.6	70%	0.702	79%	0.789	S	S	*	*			trans	-100.4	178.3	-173.4	0	0	0	0	0	115
379	P	29.1	Very low	30.6	Very low	133 Å²	133	133.8 Å²	133.8	86%	0.864	78%	0.779	S	S	*	*			trans	-109	158.1	148.3	36.3	-28.9	0	0	0	113
380	V	27.2	Very low	30.3	Very low	123 Å²	123	135.9 Å²	135.9	75%	0.745	79%	0.785	S	S	*	*			trans	-114.9	140.7	-170.7	173.1	0	0	0	0	111	T382	V380-T382 HydrophobicContact CG1-CG2 4.46Å
381	T	28.1	Very low	29.8	Very low	147 Å²	147	134.3 Å²	134.3	90%	0.902	78%	0.781	S	S	*	*			trans	-150.6	147.3	152.8	-13.2	0	0	0	0	113.6
382	T	26.8	Very low	29.8	Very low	108 Å²	108	135.3 Å²	135.3	66%	0.663	79%	0.786	S	S	*	*			trans	-128.7	165.3	-171.6	51.3	0	0	0	0	109.2	V380	V380-T382 HydrophobicContact CG1-CG2 4.46Å
383	L	29.8	Very low	30	Very low	153 Å²	153	135.1 Å²	135.1	80%	0.801	79%	0.788	S	S	*	*			cis	-157.1	-166.1	-2	-136.7	58.8	0	0	0	104.6
384	P	37.3	Very low	29.9	Very low	113 Å²	113	140.3 Å²	140.3	73%	0.734	79%	0.792	S	S	*	*			cis	-131.6	174.1	-18.6	28.2	-5.1	0	0	0	116
385	T	27.9	Very low	29.9	Very low	129 Å²	129	138.9 Å²	138.9	79%	0.791	79%	0.793	S	S	*	*			trans	-78.2	163.2	173.5	38.4	0	0	0	0	116.5
386	T	29.1	Very low	30	Very low	132 Å²	132	139 Å²	139	81%	0.81	80%	0.798	S	S	*	*			trans	-144.2	122.9	132.3	19	0	0	0	0	114.4
387	T	29.6	Very low	29.9	Very low	129 Å²	129	138.6 Å²	138.6	79%	0.791	79%	0.792	S	S	*	*			trans	51.8	81.2	145.4	47.6	0	0	0	0	123.1
388	R	28.6	Very low	29.3	Very low	232 Å²	232	140.8 Å²	140.8	88%	0.875	79%	0.789	S	S	*	*				-13.4	173.6	110.9	-86.9	-166.5	176.5	-169.6	0.3	118.5
389	P	38.9	Very low	29.3	Very low	98 Å²	98	143.1 Å²	143.1	64%	0.636	80%	0.795	S	S	*	*			cis	-153.2	-163.3	-36.4	44.7	-25.2	0	0	0	116.4
390	I	27.5	Very low	29.8	Very low	162 Å²	162	141.9 Å²	141.9	83%	0.831	79%	0.787	S	S	*	*			trans	101.7	144.7	145.4	-78.6	166.6	0	0	0	121.1
391	Q	25.9	Very low	30	Very low	173 Å²	173	141.1 Å²	141.1	81%	0.808	79%	0.787	S	S	*	*			trans	-99.9	155.9	-173.2	-60.3	167.3	-56.3	0	0	113.3
392	V	31.1	Very low	30.2	Very low	135 Å²	135	143.9 Å²	143.9	82%	0.818	79%	0.786	S	S	*	*				38.6	122.7	128.3	-175.5	0	0	0	0	117.6
393	P	35.3	Very low	30.2	Very low	132 Å²	132	142.8 Å²	142.8	86%	0.857	80%	0.797	S	S	*	*				-149.6	-179.1	84.6	38.7	-18.2	0	0	0	118.4
394	R	27.2	Very low	30.3	Very low	244 Å²	244	138.8 Å²	138.8	92%	0.921	79%	0.792	S	S	*	*			trans	-110.4	134.7	-169.2	168.9	-168.7	-170.3	172.8	4.4	111.6
395	A	28	Very low	29.7	Very low	95 Å²	95	141.5 Å²	141.5	79%	0.785	80%	0.8	S	S	*	*			trans	-168.2	130.1	148.6	0	0	0	0	0	114.5
396	S	27.8	Very low	30	Very low	113 Å²	113	141 Å²	141	79%	0.79	80%	0.797	S	S	*	*			trans	47.1	127.2	141.8	-59.5	0	0	0	0	126.1
397	E	26.9	Very low	30.9	Very low	151 Å²	151	140.2 Å²	140.2	71%	0.706	79%	0.794	S	S	*	*			trans	81	133.5	130.8	-75.4	-162.3	165.5	0	0	124.8
398	K	25.8	Very low	31.1	Very low	169 Å²	169	141 Å²	141	74%	0.735	79%	0.792	S	S	*	*			trans	77.7	108.6	147	-73.5	163.4	-178.9	143	0	120.9
399	T	28.5	Very low	31.8	Very low	135 Å²	135	135.6 Å²	135.6	83%	0.828	79%	0.787	S	S	*	*			trans	-45.1	160.2	144.5	24.1	0	0	0	0	113.2
400	P	39.2	Very low	31.2	Very low	107 Å²	107	135.3 Å²	135.3	70%	0.695	79%	0.788	S	S	*	*			cis	-156	164.5	49.4	42.5	-21.4	0	0	0	121.1
401	S	30.9	Very low	31.1	Very low	106 Å²	106	134 Å²	134	74%	0.741	79%	0.787	S	S	*	*			trans	69.3	158.8	143.7	80	0	0	0	0	119.6
402	K	31.8	Very low	31.8	Very low	206 Å²	206	131.9 Å²	131.9	90%	0.896	79%	0.788	S	S	*	*			cis	-167.3	157.2	-5.6	-130.8	179	-179.8	-176.1	0	112.1
403	G	28	Very low	31.7	Very low	85 Å²	85	130.2 Å²	130.2	88%	0.876	79%	0.788	S	S	*	*			trans	77.4	151	156	0	0	0	0	0	116.8
404	G	30.2	Very low	31.7	Very low	68 Å²	68	129.3 Å²	129.3	70%	0.701	79%	0.785	S	S	*	*			cis	174.6	151.3	-0.2	0	0	0	0	0	106
405	D	26.6	Very low	32.6	Very low	170 Å²	170	123.2 Å²	123.2	91%	0.909	78%	0.777	S	S	*	*			cis	-158.4	177.7	43	-78	-38	0	0	0	113.5
406	V	33.3	Very low	32.5	Very low	120 Å²	120	123.3 Å²	123.3	73%	0.727	77%	0.773	S	S	*	*			trans	-122.7	170.3	-175.5	-146.2	0	0	0	0	110.4
407	P	48.7	Very low	32.6	Very low	115 Å²	115	123.2 Å²	123.2	75%	0.747	77%	0.772	S	S	*	*				-143.6	140.9	85	26.7	-4.8	0	0	0	114.5
408	L	32.9	Very low	32.6	Very low	145 Å²	145	120.8 Å²	120.8	76%	0.759	77%	0.772	S	S	*	*				64	147.5	73.4	-77.1	166.4	0	0	0	115.2
409	P	42.4	Very low	32.8	Very low	118 Å²	118	117.6 Å²	117.6	77%	0.766	77%	0.77	S	S	*	*			cis	-129.1	-167.6	11.5	44	-27.7	0	0	0	114.3
410	S	26.9	Very low	32.9	Very low	92 Å²	92	118.4 Å²	118.4	64%	0.643	77%	0.768	S	S	*	*			cis	-174	145.5	-39.6	64	0	0	0	0	113
411	V	26.5	Very low	32.3	Very low	136 Å²	136	119.9 Å²	119.9	82%	0.824	77%	0.77	S	S	*	*			trans	72.1	151.8	151.1	175.3	0	0	0	0	118.5
412	P	40.7	Very low	32.4	Very low	127 Å²	127	121.1 Å²	121.1	83%	0.825	77%	0.768	S	S	*	*			cis	-124.3	-166.9	-1.6	27.3	-2.7	0	0	0	116.9
413	A	28.1	Very low	32.3	Very low	100 Å²	100	118.1 Å²	118.1	83%	0.826	77%	0.766	S	S	*	*			trans	-71.4	171	-169.7	0	0	0	0	0	120.4
414	S	36.4	Very low	32.9	Very low	113 Å²	113	121.5 Å²	121.5	79%	0.79	76%	0.759	S	S	*	*			trans	-61.6	159.7	176.3	-26.6	0	0	0	0	114.9
415	P	45.1	Very low	33.1	Very low	116 Å²	116	127.2 Å²	127.2	75%	0.753	77%	0.768	S	S	*	*				-155.8	175.5	73.7	40.6	-19.4	0	0	0	119
416	S	25.9	Very low	33.8	Very low	98 Å²	98	126.7 Å²	126.7	69%	0.685	76%	0.758	S	S	*	*			trans	58.7	118.9	146.1	58.3	0	0	0	0	124.2
417	S	29.1	Very low	34.6	Very low	110 Å²	110	127 Å²	127	77%	0.769	75%	0.751	S	S	*	*			trans	78.8	148.2	134.1	71.6	0	0	0	0	123.2
418	S	26.9	Very low	34.9	Very low	101 Å²	101	129.2 Å²	129.2	71%	0.706	75%	0.749	S	S	*	*			trans	73	100.5	163.3	53.3	0	0	0	0	121.1
419	S	30.5	Very low	36.1	Very low	101 Å²	101	124.4 Å²	124.4	71%	0.706	73%	0.727	S	S	*	*				79.8	121.2	118.9	-52.9	0	0	0	0	121.6
420	I	30.7	Very low	37	Very low	153 Å²	153	122 Å²	122	79%	0.785	71%	0.712	S	S	*	*			trans	68.5	125.5	145.5	-57.7	161.9	0	0	0	114.4
421	D	27.5	Very low	38.2	Very low	138 Å²	138	126.5 Å²	126.5	74%	0.738	72%	0.72	S	S	*	*			cis	-165.5	-176.1	-4.8	-109.7	2.5	0	0	0	106.1
422	L	32.5	Very low	39.6	Very low	132 Å²	132	129.2 Å²	129.2	69%	0.691	72%	0.716	S	S	*	*			cis	-157.7	141.9	7.7	-139.4	165.2	0	0	0	108.1
423	V	30.4	Very low	40.9	Very low	143 Å²	143	124.6 Å²	124.6	87%	0.867	69%	0.686	S	S	*	*			trans	-140.7	130.4	160.7	-177.6	0	0	0	0	109.8	E425	V423-E425 PolarHBondContact O-N 3.41Å
424	E	39.3	Very low	43	Very low	155 Å²	155	120.6 Å²	120.6	72%	0.724	65%	0.652	S	S	*	*			trans	-71	116.4	-170.2	-58	175	111.7	0	0	114.2
425	E	34.3	Very low	44.8	Very low	188 Å²	188	119.6 Å²	119.6	88%	0.879	64%	0.637	S	S	*	*			trans	-93	111.6	151.2	-74.9	-162.6	151.3	0	0	109.7	V423 Q427	V423-E425 PolarHBondContact O-N 3.41Å; E425-Q427 PolarHBondContact O-N 3.21Å; E425-Q427 VanDerWaalsContact O-N 3.11Å
426	K	40.9	Very low	46.2	Very low	160 Å²	160	117.6 Å²	117.6	70%	0.696	62%	0.62	S	S	*	*			trans	-68	109.2	179.2	-74.5	178.4	177.5	172.3	0	110.6	F428	K426-F428 WeakPolarHBondContact O-CD2 3.02Å; K426-F428 PolarHBondContact O-N 2.89Å
427	Q	52.1	Low	48.3	Very low	126 Å²	126	116.1 Å²	116.1	59%	0.589	62%	0.62	S	S	*	*			trans	-60.7	123.3	172.1	-74.3	169.5	-18.8	0	0	110.7	E425 W442	E425-Q427 PolarHBondContact O-N 3.21Å; E425-Q427 VanDerWaalsContact O-N 3.11Å; Q427-W442 HydrophobicContact CB-CD2 4.48Å; Q427-W442 HydrophobicContact CB-CG 4.09Å; Q427-W442 HydrophobicContact CG-CG 4.34Å
428	F	55	Low	50.5	Low	162 Å²	162	111.5 Å²	111.5	71%	0.711	59%	0.59	S	S	*	*			trans	-108.7	116.6	179.5	-100.5	-89	0	0	0	110.8	K426 W442	K426-F428 WeakPolarHBondContact O-CD2 3.02Å; K426-F428 PolarHBondContact O-N 2.89Å; F428-W442 WeakPolarHBondContact O-CZ3 3.25Å
429	C	57.9	Low	52.8	Low	43 Å²	43	111 Å²	111	29%	0.291	58%	0.583	S	S	.	*			trans	-63.5	135.1	153.9	-78.8	0	0	0	0	108.9	P433 C440	C429-P433 HydrophobicContact CB-CG 4.48Å; C429-C440 HydrophobicContact CB-CB 3.82Å; C429-C440 WeakPolarHBondContact CB-SG 3.37Å; C429-C440 WeakPolarHBondContact SG-CB 3.36Å; C429-C440 CovalentContact SG-SG 2.04Å; C429-C440 PolarHBondContact SG-SG 3.1Å
430	P	60.4	Low	54.9	Low	69 Å²	69	108 Å²	108	45%	0.448	56%	0.561	S	S	.	*			trans	-55.6	159	171.2	-24	33.2	0	0	0	111.5	Y432 P433 F448	P430-Y432 PolarHBondContact O-N 3.12Å; P430-Y432 VanDerWaalsContact O-N 3.08Å; P430-P433 HydrophobicContact CB-CB 4.41Å; P430-P433 VanDerWaalsContact O-CD 3.24Å; P430-P433 WeakPolarHBondContact O-CD 3.37Å; P430-F448 HydrophobicContact CG-CE1 4.32Å
431	K	51.5	Low	56.9	Low	186 Å²	186	106.7 Å²	106.7	81%	0.809	55%	0.552	S	S	*	*	S	Bend	trans	-70.1	110.1	179	-131.9	179.3	-178.2	178.5	0	109.8
432	Y	57.1	Low	58.7	Low	193 Å²	193	104.2 Å²	104.2	76%	0.757	53%	0.532	S	S	*	.	S	Bend	trans	64.6	64.4	179.8	-42.4	-77.1	0	0	0	115.8	P430	P430-Y432 PolarHBondContact O-N 3.12Å; P430-Y432 VanDerWaalsContact O-N 3.08Å
433	P	66.9	Low	60.2	Low	29 Å²	29	100.2 Å²	100.2	19%	0.188	51%	0.513	C	S	.	.			trans	-92.3	-9.9	-178.4	37	-27.4	0	0	0	113.1	C429 P430 C440 F448 F460	C429-P433 HydrophobicContact CB-CG 4.48Å; P430-P433 HydrophobicContact CB-CB 4.41Å; P430-P433 VanDerWaalsContact O-CD 3.24Å; P430-P433 WeakPolarHBondContact O-CD 3.37Å; P433-C440 HydrophobicContact CG-CB 3.82Å; P433-F448 HydrophobicContact CB-CD2 4.26Å; P433-F448 HydrophobicContact CB-CE1 4.48Å; P433-F448 HydrophobicContact CB-CE2 3.6Å; P433-F448 HydrophobicContact CB-CZ 3.72Å; P433-F448 HydrophobicContact CG-CD2 4.48Å; P433-F448 HydrophobicContact CG-CE2 4.27Å; P433-F460 WeakPolarHBondContact O-CD1 3.5Å
434	C	72.5	Confident	61.4	Low	16 Å²	16	101.8 Å²	101.8	11%	0.108	52%	0.516	C	S	.	.	S	Bend	trans	-119.1	130.8	179.1	-51.5	0	0	0	0	108.6	G438 C450	C434-G438 WeakPolarHBondContact CB-O 3.33Å; C434-C450 WeakPolarHBondContact CA-SG 3.42Å; C434-C450 HydrophobicContact CB-CB 3.72Å; C434-C450 WeakPolarHBondContact CB-SG 3.4Å; C434-C450 VanDerWaalsContact SG-CA 3.52Å; C434-C450 WeakPolarHBondContact SG-CB 3.46Å; C434-C450 CovalentContact SG-SG 2.03Å; C434-C450 PolarHBondContact SG-SG 2.85Å
435	L	74.6	Confident	62.3	Low	93 Å²	93	106 Å²	106	49%	0.487	53%	0.525	S	S	.	.			trans	-91.4	171.6	-177	-62	173.4	0	0	0	111	G437 G438 F460 C461 E462	L435-G437 PolarHBondContact O-N 3.33Å; L435-G438 PolarHBondContact O-N 3.2Å; L435-F460 PolarHBondContact N-O 2.79Å; L435-C461 WeakPolarHBondContact O-CB 3.39Å; L435-E462 HydrophobicContact CD1-CB 4.04Å
436	N	74.3	Confident	63.5	Low	74 Å²	74	99.6 Å²	99.6	40%	0.396	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	28.6	172.4	-58.8	-44.7	0	0	0	116.2	T456 C461	N436-T456 HydrophobicContact CB-CG2 3.83Å; N436-C461 PolarHBondContact ND2-O 2.77Å
437	G	69.6	Low	64.3	Low	66 Å²	66	95 Å²	95	68%	0.68	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	8.4	-179.8	0	0	0	0	0	115.3	L435	L435-G437 PolarHBondContact O-N 3.33Å
438	G	76.7	Confident	65.3	Low	14 Å²	14	91.6 Å²	91.6	14%	0.144	48%	0.481	C	S	.	.			trans	-62.1	147.7	173.2	0	0	0	0	0	113.2	C434 L435 A451	C434-G438 WeakPolarHBondContact CB-O 3.33Å; L435-G438 PolarHBondContact O-N 3.2Å; G438-A451 CarbonylContact C-O 3.45Å; G438-A451 WeakPolarHBondContact CA-O 3.47Å
439	T	73.6	Confident	66.4	Low	91 Å²	91	87.8 Å²	87.8	56%	0.558	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.2	178.8	32.3	0	0	0	0	111.7	A451	T439-A451 PolarHBondContact N-O 2.79Å; T439-A451 PolarHBondContact O-N 3.43Å
440	C	75.6	Confident	67.4	Low	36 Å²	36	86.4 Å²	86.4	24%	0.243	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	129.4	-179.4	-177.7	0	0	0	0	111.1	C429 P433	C429-C440 HydrophobicContact CB-CB 3.82Å; C429-C440 WeakPolarHBondContact CB-SG 3.37Å; C429-C440 WeakPolarHBondContact SG-CB 3.36Å; C429-C440 CovalentContact SG-SG 2.04Å; C429-C440 PolarHBondContact SG-SG 3.1Å; P433-C440 HydrophobicContact CG-CB 3.82Å
441	Q	71.3	Confident	68.4	Low	126 Å²	126	84.9 Å²	84.9	59%	0.589	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.2	172.1	-62.5	-175.7	3.7	0	0	109.6	F448 V449	Q441-F448 WeakPolarHBondContact O-CA 3.36Å; Q441-V449 PolarHBondContact N-O 3.45Å; Q441-V449 PolarHBondContact O-N 2.84Å
442	W	66.6	Low	69.9	Low	86 Å²	86	78.3 Å²	78.3	33%	0.326	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	134.3	179.6	-158.7	-91.8	0	0	0	110.6	Q427 F428 F448	Q427-W442 HydrophobicContact CB-CD2 4.48Å; Q427-W442 HydrophobicContact CB-CG 4.09Å; Q427-W442 HydrophobicContact CG-CG 4.34Å; F428-W442 WeakPolarHBondContact O-CZ3 3.25Å; W442-F448 HydrophobicContact CD2-CB 4.48Å; W442-F448 HydrophobicContact CE3-CB 3.68Å; W442-F448 HydrophobicContact CZ3-CB 3.88Å; W442-F448 HydrophobicContact CZ3-CD1 4.02Å; W442-F448 HydrophobicContact CZ3-CG 4.39Å
443	T	64.3	Low	70.7	Confident	48 Å²	48	72 Å²	72	29%	0.294	42%	0.415	S	S	.	.			trans	-104.3	149.2	178.9	73.5	0	0	0	0	111.8	R445 G446 S447 V449	T443-R445 PolarHBondContact O-N 3.5Å; T443-G446 PolarHBondContact O-N 2.89Å; T443-S447 WeakPolarHBondContact CB-O 3.31Å; T443-S447 PolarHBondContact N-O 2.87Å; T443-S447 PolarHBondContact OG1-O 3.31Å; T443-S447 PolarHBondContact OG1-OG 2.88Å; T443-V449 HydrophobicContact CG2-CG2 3.85Å
444	L	55.9	Low	70.9	Confident	176 Å²	176	79 Å²	79	92%	0.921	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-3.6	-178.2	-72.9	157.6	0	0	0	114.9
445	R	57.8	Low	70.6	Confident	243 Å²	243	79.9 Å²	79.9	92%	0.917	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	8	172.4	-66.6	-173.2	-175.6	175.9	3.1	113.8	T443	T443-R445 PolarHBondContact O-N 3.5Å
446	G	58.7	Low	70.5	Confident	54 Å²	54	76.5 Å²	76.5	56%	0.557	45%	0.446	S	S	*	.	S	Bend	trans	83.3	14.8	176.8	0	0	0	0	0	115	T443	T443-G446 PolarHBondContact O-N 2.89Å
447	S	57.6	Low	70.4	Confident	63 Å²	63	75.8 Å²	75.8	44%	0.441	45%	0.447	S	S	.	.			trans	-120.7	153.2	172.8	59.5	0	0	0	0	111.1	T443	T443-S447 WeakPolarHBondContact CB-O 3.31Å; T443-S447 PolarHBondContact N-O 2.87Å; T443-S447 PolarHBondContact OG1-O 3.31Å; T443-S447 PolarHBondContact OG1-OG 2.88Å
448	F	74.3	Confident	70.3	Confident	56 Å²	56	74.1 Å²	74.1	25%	0.246	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	156.4	172.8	70.9	-91.7	0	0	0	111.7	P430 P433 Q441 W442 F460	P430-F448 HydrophobicContact CG-CE1 4.32Å; P433-F448 HydrophobicContact CB-CD2 4.26Å; P433-F448 HydrophobicContact CB-CE1 4.48Å; P433-F448 HydrophobicContact CB-CE2 3.6Å; P433-F448 HydrophobicContact CB-CZ 3.72Å; P433-F448 HydrophobicContact CG-CD2 4.48Å; P433-F448 HydrophobicContact CG-CE2 4.27Å; Q441-F448 WeakPolarHBondContact O-CA 3.36Å; W442-F448 HydrophobicContact CD2-CB 4.48Å; W442-F448 HydrophobicContact CE3-CB 3.68Å; W442-F448 HydrophobicContact CZ3-CB 3.88Å; W442-F448 HydrophobicContact CZ3-CD1 4.02Å; W442-F448 HydrophobicContact CZ3-CG 4.39Å; F448-F460 AromaticContact CE2-CD1 3.89Å; F448-F460 HydrophobicContact CE2-CD1 3.89Å; F448-F460 AromaticContact CE2-CE1 3.63Å; F448-F460 HydrophobicContact CE2-CE1 3.63Å; F448-F460 HydrophobicContact CZ-CD1 4.3Å; F448-F460 AromaticContact CZ-CE1 3.72Å; F448-F460 HydrophobicContact CZ-CE1 3.72Å
449	V	76.6	Confident	70.2	Confident	82 Å²	82	80.5 Å²	80.5	50%	0.497	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143	175.6	-179.5	0	0	0	0	108.7	Q441 T443	Q441-V449 PolarHBondContact N-O 3.45Å; Q441-V449 PolarHBondContact O-N 2.84Å; T443-V449 HydrophobicContact CG2-CG2 3.85Å
450	C	80.1	Confident	70.5	Confident	13 Å²	13	79.9 Å²	79.9	9%	0.088	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.3	177.4	-67.4	0	0	0	0	111.3	C434	C434-C450 WeakPolarHBondContact CA-SG 3.42Å; C434-C450 HydrophobicContact CB-CB 3.72Å; C434-C450 WeakPolarHBondContact CB-SG 3.4Å; C434-C450 VanDerWaalsContact SG-CA 3.52Å; C434-C450 WeakPolarHBondContact SG-CB 3.46Å; C434-C450 CovalentContact SG-SG 2.03Å; C434-C450 PolarHBondContact SG-SG 2.85Å
451	A	81.1	Confident	70.6	Confident	38 Å²	38	78.1 Å²	78.1	31%	0.314	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.3	169.5	0	0	0	0	0	109.4	G438 T439	G438-A451 CarbonylContact C-O 3.45Å; G438-A451 WeakPolarHBondContact CA-O 3.47Å; T439-A451 PolarHBondContact N-O 2.79Å; T439-A451 PolarHBondContact O-N 3.43Å
452	C	82.1	Confident	70.6	Confident	48 Å²	48	76.1 Å²	76.1	32%	0.324	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-99.2	134.5	-171	-52.8	0	0	0	0	112.2	C461	C452-C461 WeakPolarHBondContact CA-SG 3.48Å; C452-C461 HydrophobicContact CB-CB 3.72Å; C452-C461 WeakPolarHBondContact CB-SG 3.37Å; C452-C461 WeakPolarHBondContact SG-CA 3.48Å; C452-C461 WeakPolarHBondContact SG-CB 3.24Å; C452-C461 CovalentContact SG-SG 2.04Å; C452-C461 PolarHBondContact SG-SG 3.35Å
453	P	75.3	Confident	70.6	Confident	60 Å²	60	76.5 Å²	76.5	39%	0.39	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-71.4	158.2	173.2	29.7	-35.1	0	0	0	112.3	G455 T456	P453-G455 PolarHBondContact O-N 2.94Å; P453-T456 WeakPolarHBondContact CD-OG1 3.48Å; P453-T456 PolarHBondContact O-N 3.16Å; P453-T456 PolarHBondContact O-OG1 3.45Å
454	D	69.3	Low	70.4	Confident	175 Å²	175	79.9 Å²	79.9	94%	0.936	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	132.5	-178.1	-69.6	-49.2	0	0	0	112.5
455	G	66.2	Low	70.2	Confident	36 Å²	36	75.2 Å²	75.2	37%	0.371	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	4.7	-172.2	0	0	0	0	0	114.7	P453 S465	P453-G455 PolarHBondContact O-N 2.94Å; G455-S465 WeakPolarHBondContact CA-OG 3.45Å; G455-S465 PolarHBondContact O-N 3.05Å; G455-S465 PolarHBondContact O-OG 2.99Å; G455-S465 VanDerWaalsContact O-OG 3.13Å
456	T	73.6	Confident	69.5	Low	22 Å²	22	74.6 Å²	74.6	14%	0.135	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.5	170.2	61.9	0	0	0	0	113.1	N436 P453 I463 Q464	N436-T456 HydrophobicContact CB-CG2 3.83Å; P453-T456 WeakPolarHBondContact CD-OG1 3.48Å; P453-T456 PolarHBondContact O-N 3.16Å; P453-T456 PolarHBondContact O-OG1 3.45Å; T456-I463 CarbonylContact C-O 3.19Å; T456-I463 WeakPolarHBondContact CA-O 3.47Å; T456-I463 WeakPolarHBondContact CB-O 3.5Å; T456-Q464 HydrophobicContact CG2-CB 4.37Å; T456-Q464 HydrophobicContact CG2-CG 4.11Å
457	S	71.1	Confident	68.4	Low	59 Å²	59	77.4 Å²	77.4	41%	0.413	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	175.9	179	63.4	0	0	0	0	111.4	C461 E462 I463	S457-C461 CarbonylContact O-C 3.17Å; S457-C461 WeakPolarHBondContact O-CA 3.36Å; S457-E462 PolarHBondContact O-N 3.36Å; S457-I463 PolarHBondContact N-O 3Å; S457-I463 WeakPolarHBondContact O-CA 3.49Å; S457-I463 VanDerWaalsContact O-CB 3.28Å; S457-I463 WeakPolarHBondContact O-CB 3.48Å; S457-I463 PolarHBondContact O-N 3.23Å
458	G	68.1	Low	67.1	Low	31 Å²	31	80.1 Å²	80.1	32%	0.32	45%	0.454	S	S	.	.	S	Bend	trans	104.2	167.9	-173.5	0	0	0	0	0	112.9	F460 C461 E462	G458-F460 PolarHBondContact O-N 3.32Å; G458-C461 PolarHBondContact O-N 2.9Å; G458-E462 VanDerWaalsContact C-OE2 3.31Å; G458-E462 VanDerWaalsContact CA-OE1 3.24Å; G458-E462 WeakPolarHBondContact CA-OE1 3.26Å
459	Q	75.7	Confident	65	Low	147 Å²	147	82.8 Å²	82.8	69%	0.687	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.9	-170.7	-173.6	171.4	-5.4	0	0	112.9	E462	Q459-E462 PolarHBondContact N-OE1 2.73Å; Q459-E462 VanDerWaalsContact N-OE1 3.17Å; Q459-E462 PolarHBondContact N-OE2 3.4Å
460	F	79.4	Confident	62.7	Low	78 Å²	78	89.5 Å²	89.5	34%	0.342	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	20.1	177.7	-51.7	-74.1	0	0	0	111.7	P433 L435 F448 G458 E462	P433-F460 WeakPolarHBondContact O-CD1 3.5Å; L435-F460 PolarHBondContact N-O 2.79Å; F448-F460 AromaticContact CE2-CD1 3.89Å; F448-F460 HydrophobicContact CE2-CD1 3.89Å; F448-F460 AromaticContact CE2-CE1 3.63Å; F448-F460 HydrophobicContact CE2-CE1 3.63Å; F448-F460 HydrophobicContact CZ-CD1 4.3Å; F448-F460 AromaticContact CZ-CE1 3.72Å; F448-F460 HydrophobicContact CZ-CE1 3.72Å; G458-F460 PolarHBondContact O-N 3.32Å; F460-E462 VanDerWaalsContact C-N 3.28Å; F460-E462 VanDerWaalsContact C-OE2 3.24Å; F460-E462 VanDerWaalsContact CA-OE2 3.3Å; F460-E462 WeakPolarHBondContact CA-OE2 3.4Å; F460-E462 PolarHBondContact N-OE2 3.17Å; F460-E462 PolarHBondContact O-N 2.73Å
461	C	77.4	Confident	60.5	Low	0 Å²	0	94.6 Å²	94.6	0%	0	53%	0.526	C	S	.	.	S	Bend	trans	61.7	29.7	-176.5	-43.9	0	0	0	0	114.5	L435 N436 C452 S457 G458	L435-C461 WeakPolarHBondContact O-CB 3.39Å; N436-C461 PolarHBondContact ND2-O 2.77Å; C452-C461 WeakPolarHBondContact CA-SG 3.48Å; C452-C461 HydrophobicContact CB-CB 3.72Å; C452-C461 WeakPolarHBondContact CB-SG 3.37Å; C452-C461 WeakPolarHBondContact SG-CA 3.48Å; C452-C461 WeakPolarHBondContact SG-CB 3.24Å; C452-C461 CovalentContact SG-SG 2.04Å; C452-C461 PolarHBondContact SG-SG 3.35Å; S457-C461 CarbonylContact O-C 3.17Å; S457-C461 WeakPolarHBondContact O-CA 3.36Å; G458-C461 PolarHBondContact O-N 2.9Å
462	E	71.8	Confident	58.2	Low	83 Å²	83	99.2 Å²	99.2	39%	0.388	55%	0.551	S	S	.	*			trans	-74.8	-22.7	-173.9	67.6	-77.9	-178.2	0	0	114.9	L435 S457 G458 Q459 F460	L435-E462 HydrophobicContact CD1-CB 4.04Å; S457-E462 PolarHBondContact O-N 3.36Å; G458-E462 VanDerWaalsContact C-OE2 3.31Å; G458-E462 VanDerWaalsContact CA-OE1 3.24Å; G458-E462 WeakPolarHBondContact CA-OE1 3.26Å; Q459-E462 PolarHBondContact N-OE1 2.73Å; Q459-E462 VanDerWaalsContact N-OE1 3.17Å; Q459-E462 PolarHBondContact N-OE2 3.4Å; F460-E462 VanDerWaalsContact C-N 3.28Å; F460-E462 VanDerWaalsContact C-OE2 3.24Å; F460-E462 VanDerWaalsContact CA-OE2 3.3Å; F460-E462 WeakPolarHBondContact CA-OE2 3.4Å; F460-E462 PolarHBondContact N-OE2 3.17Å; F460-E462 PolarHBondContact O-N 2.73Å
463	I	65.8	Low	55.6	Low	94 Å²	94	106.4 Å²	106.4	48%	0.482	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.8	125.7	-177.9	-47.7	176.1	0	0	0	108.8	T456 S457	T456-I463 CarbonylContact C-O 3.19Å; T456-I463 WeakPolarHBondContact CA-O 3.47Å; T456-I463 WeakPolarHBondContact CB-O 3.5Å; S457-I463 PolarHBondContact N-O 3Å; S457-I463 WeakPolarHBondContact O-CA 3.49Å; S457-I463 VanDerWaalsContact O-CB 3.28Å; S457-I463 WeakPolarHBondContact O-CB 3.48Å; S457-I463 PolarHBondContact O-N 3.23Å
464	Q	59.7	Low	53.5	Low	119 Å²	119	107.4 Å²	107.4	56%	0.556	59%	0.592	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117.6	113.3	-179.2	-167.1	169	71.8	0	0	110.1	T456 R466	T456-Q464 HydrophobicContact CG2-CB 4.37Å; T456-Q464 HydrophobicContact CG2-CG 4.11Å; Q464-R466 PolarHBondContact O-N 3.11Å; Q464-R466 VanDerWaalsContact O-N 3.13Å
465	S	52.8	Low	51.7	Low	79 Å²	79	105.5 Å²	105.5	55%	0.552	59%	0.587	S	S	*	*			trans	-81.7	94.3	-173.6	50.9	0	0	0	0	111.7	G455 S467	G455-S465 WeakPolarHBondContact CA-OG 3.45Å; G455-S465 PolarHBondContact O-N 3.05Å; G455-S465 PolarHBondContact O-OG 2.99Å; G455-S465 VanDerWaalsContact O-OG 3.13Å; S465-S467 PolarHBondContact O-N 3.41Å; S465-S467 VanDerWaalsContact O-N 3.07Å
466	R	42.7	Very low	50.3	Low	230 Å²	230	109.2 Å²	109.2	87%	0.868	60%	0.604	S	S	*	*			trans	-67.9	103.8	166	-74.3	-174	175.8	-176.4	-1.4	109.9	Q464 S468	Q464-R466 PolarHBondContact O-N 3.11Å; Q464-R466 VanDerWaalsContact O-N 3.13Å; R466-S468 PolarHBondContact O-N 3.15Å
467	S	35	Very low	48.6	Very low	113 Å²	113	113.7 Å²	113.7	79%	0.79	64%	0.637	S	S	*	*			trans	-68	120.4	165.8	49.1	0	0	0	0	109.6	S465	S465-S467 PolarHBondContact O-N 3.41Å; S465-S467 VanDerWaalsContact O-N 3.07Å
468	S	30.3	Very low	46.6	Very low	120 Å²	120	120.4 Å²	120.4	84%	0.839	66%	0.659	S	S	*	*			trans	-110.4	89.8	168.5	175	0	0	0	0	108.2	R466	R466-S468 PolarHBondContact O-N 3.15Å
469	T	30.2	Very low	45.1	Very low	112 Å²	112	124.3 Å²	124.3	69%	0.687	68%	0.681	S	S	*	*			trans	-70.1	125.7	169.4	40	0	0	0	0	110.8
470	Y	28.5	Very low	42.9	Very low	223 Å²	223	123.1 Å²	123.1	88%	0.875	68%	0.684	S	S	*	*			trans	-173.1	160.8	141.3	-91.9	-51.6	0	0	0	109.1
471	P	35.1	Very low	40.9	Very low	119 Å²	119	126.3 Å²	126.3	77%	0.773	70%	0.703	S	S	*	*			trans	-102.6	169.6	-141.2	1.9	21.7	0	0	0	114.3
472	T	32	Very low	38.7	Very low	136 Å²	136	131.6 Å²	131.6	83%	0.834	74%	0.735	S	S	*	*			trans	-70.1	125.1	-179.2	-27.4	0	0	0	0	113.2
473	E	28.1	Very low	37	Very low	198 Å²	198	132.8 Å²	132.8	93%	0.925	75%	0.748	S	S	*	*			trans	-132.1	154.6	147	-82.9	-164.9	149.3	0	0	108.9
474	A	30.5	Very low	36	Very low	81 Å²	81	137.5 Å²	137.5	67%	0.669	77%	0.765	S	S	*	*			trans	-131.8	161	-159.2	0	0	0	0	0	114.1
475	V	31.6	Very low	35.8	Very low	136 Å²	136	135.6 Å²	135.6	82%	0.824	76%	0.762	S	S	*	*			trans	79.3	142.6	163.4	-166.8	0	0	0	0	115.9
476	P	36.5	Very low	36.6	Very low	113 Å²	113	135.7 Å²	135.7	73%	0.734	76%	0.76	S	S	*	*			cis	-120.1	178	-21.9	32.3	-14.7	0	0	0	114.3
477	S	39	Very low	38	Very low	116 Å²	116	126.2 Å²	126.2	81%	0.811	73%	0.727	S	S	*	*			trans	-53.5	136.1	173.6	40.4	0	0	0	0	116
478	K	28.7	Very low	40.3	Very low	201 Å²	201	121 Å²	121	87%	0.874	69%	0.69	S	S	*	*			trans	-134.9	118.4	148.8	-115.9	177.4	-176.9	175.5	0	110.2	T480	K478-T480 PolarHBondContact O-N 3.47Å; K478-T480 VanDerWaalsContact O-N 3.09Å
479	S	36.8	Very low	42.9	Very low	113 Å²	113	117 Å²	117	79%	0.79	66%	0.661	S	S	*	*			trans	-70.8	97.2	179.2	51.7	0	0	0	0	111.1
480	T	28.4	Very low	45.4	Very low	121 Å²	121	113.2 Å²	113.2	74%	0.742	64%	0.639	S	S	*	*			trans	-90.6	102	162.8	-50.7	0	0	0	0	108	K478 V482	K478-T480 PolarHBondContact O-N 3.47Å; K478-T480 VanDerWaalsContact O-N 3.09Å; T480-V482 VanDerWaalsContact C-N 3.26Å; T480-V482 HydrophobicContact CG2-CG2 4.37Å; T480-V482 PolarHBondContact O-N 3.23Å
481	I	38.2	Very low	47.7	Very low	145 Å²	145	107.1 Å²	107.1	74%	0.744	62%	0.618	S	S	*	*			trans	-68.7	89.5	172.6	-57.5	175	0	0	0	107.5	T483	I481-T483 VanDerWaalsContact C-N 3.31Å; I481-T483 HydrophobicContact CG2-CG2 4.05Å; I481-T483 PolarHBondContact O-N 3.34Å
482	V	31.6	Very low	49.2	Very low	112 Å²	112	109 Å²	109	68%	0.679	62%	0.616	S	S	*	*			trans	-73.6	94.9	162.4	-179.8	0	0	0	0	106.2	T480 K484	T480-V482 VanDerWaalsContact C-N 3.26Å; T480-V482 HydrophobicContact CG2-CG2 4.37Å; T480-V482 PolarHBondContact O-N 3.23Å; V482-K484 PolarHBondContact O-N 3.18Å
483	T	35.1	Very low	51.3	Low	107 Å²	107	103.5 Å²	103.5	66%	0.656	59%	0.585	S	S	*	*			trans	-60.9	92.7	163.6	39.8	0	0	0	0	107.9	I481 T485	I481-T483 VanDerWaalsContact C-N 3.31Å; I481-T483 HydrophobicContact CG2-CG2 4.05Å; I481-T483 PolarHBondContact O-N 3.34Å; T483-T485 PolarHBondContact O-N 3.26Å
484	K	46.5	Very low	53.9	Low	193 Å²	193	96.7 Å²	96.7	84%	0.839	56%	0.557	S	S	*	*			trans	-61.4	85.9	162.7	-84.1	-171.8	175.4	-178.5	0	107.3	V482	V482-K484 PolarHBondContact O-N 3.18Å
485	T	54.8	Low	56.3	Low	80 Å²	80	93.8 Å²	93.8	49%	0.491	53%	0.533	S	S	.	.			trans	-55	127.7	166.7	37.4	0	0	0	0	107	T483 R504	T483-T485 PolarHBondContact O-N 3.26Å; T485-R504 PolarHBondContact O-NH1 3.2Å; T485-R504 VanDerWaalsContact O-NH1 3.12Å; T485-R504 PolarHBondContact O-NH2 2.99Å; T485-R504 PolarHBondContact OG1-NH1 2.9Å; T485-R504 PolarHBondContact OG1-NH2 3.03Å
486	P	69.6	Low	58.5	Low	80 Å²	80	90.9 Å²	90.9	52%	0.519	52%	0.516	S	S	.	.			trans	-67.2	153.7	-166.8	27	-35.9	0	0	0	111.9	I488 T489 R504	P486-I488 VanDerWaalsContact C-N 3.34Å; P486-T489 HydrophobicContact CG-CG2 3.65Å; P486-R504 VanDerWaalsContact O-CD 3.28Å; P486-R504 WeakPolarHBondContact O-CD 3.26Å
487	D	71.9	Confident	60.7	Low	31 Å²	31	86.1 Å²	86.1	17%	0.166	49%	0.485	C	S	.	.	S	Bend	trans	-76.8	-21.4	-176.7	-106.9	20.2	0	0	0	113.3	R504 Y505 R509 V568	D487-R504 IonicContact OD1-CZ 3.77Å; D487-R504 IonicContact OD1-NE 2.9Å; D487-R504 PolarHBondContact OD1-NE 2.92Å; D487-R504 VanDerWaalsContact OD1-NE 3.15Å; D487-Y505 PolarHBondContact O-N 2.9Å; D487-R509 IonicContact OD2-CZ 3.5Å; D487-R509 VanDerWaalsContact OD2-CZ 3.27Å; D487-R509 IonicContact OD2-NH1 2.64Å; D487-R509 PolarHBondContact OD2-NH1 2.8Å; D487-R509 IonicContact OD2-NH2 3.95Å; D487-R509 PolarHBondContact OD2-NH2 3.07Å; D487-V568 HydrophobicContact CB-CB 4.36Å; D487-V568 HydrophobicContact CB-CG1 3.68Å; D487-V568 HydrophobicContact CB-CG2 4Å
488	I	83.6	Confident	63	Low	4 Å²	4	80.6 Å²	80.6	2%	0.021	45%	0.447	C	S	.	.	S	Bend	trans	-136.8	151.4	170.7	63.9	179.1	0	0	0	109.1	P486 L502 Y505 V556 V568 T570	P486-I488 VanDerWaalsContact C-N 3.34Å; I488-L502 HydrophobicContact CG2-CD2 3.92Å; I488-Y505 HydrophobicContact CG2-CD2 3.93Å; I488-Y505 HydrophobicContact CG2-CG 4.12Å; I488-V556 HydrophobicContact CD1-CB 4.24Å; I488-V556 HydrophobicContact CD1-CG2 3.65Å; I488-V556 HydrophobicContact CG2-CB 4.3Å; I488-V556 HydrophobicContact CG2-CG2 4.1Å; I488-V568 HydrophobicContact CD1-CB 4.49Å; I488-V568 HydrophobicContact CD1-CG1 4.26Å; I488-V568 VanDerWaalsContact CD1-O 3.24Å; I488-V568 WeakPolarHBondContact CD1-O 3.43Å; I488-V568 HydrophobicContact CG1-CG1 3.9Å; I488-T570 HydrophobicContact CD1-CG2 3.97Å; I488-T570 HydrophobicContact CG1-CG2 4.09Å
489	T	83.5	Confident	65.7	Low	36 Å²	36	72.3 Å²	72.3	22%	0.221	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152	174.5	43.3	0	0	0	0	111.4	P486 H491 D501	P486-T489 HydrophobicContact CG-CG2 3.65Å; T489-H491 VanDerWaalsContact CB-NE2 3.31Å; T489-H491 WeakPolarHBondContact CB-NE2 3.18Å; T489-H491 PolarHBondContact OG1-NE2 3.17Å; T489-D501 PolarHBondContact N-O 3.08Å; T489-D501 PolarHBondContact O-N 3.44Å
490	S	82.6	Confident	68.3	Low	32 Å²	32	67 Å²	67	22%	0.224	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.1	174.2	53	0	0	0	0	110.3	L499 Q571	S490-L499 CarbonylContact C-O 3.13Å; S490-L499 WeakPolarHBondContact CA-O 3.24Å; S490-Q571 PolarHBondContact OG-O 3.04Å
491	H	78.4	Confident	71.1	Confident	95 Å²	95	63 Å²	63	44%	0.44	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	163.5	-175.9	-61.2	-56.8	0	0	0	111.2	T489 A493 L499	T489-H491 VanDerWaalsContact CB-NE2 3.31Å; T489-H491 WeakPolarHBondContact CB-NE2 3.18Å; T489-H491 PolarHBondContact OG1-NE2 3.17Å; H491-A493 PolarHBondContact O-N 3.4Å; H491-L499 PolarHBondContact N-O 2.87Å; H491-L499 WeakPolarHBondContact O-CB 3.28Å; H491-L499 PolarHBondContact O-N 3.3Å
492	Q	66.1	Low	73.4	Confident	158 Å²	158	56.1 Å²	56.1	74%	0.738	31%	0.313	S	S	*	.			trans	45.3	54.8	166.4	-158.6	177.3	4.2	0	0	115.8	T494	Q492-T494 PolarHBondContact O-N 3.32Å
493	A	76.5	Confident	75.9	Confident	21 Å²	21	54.8 Å²	54.8	17%	0.174	30%	0.299	C	S	.	.			trans	-67.8	131.2	173.6	0	0	0	0	0	111.9	H491 S497 I498 H573 K575	H491-A493 PolarHBondContact O-N 3.4Å; A493-S497 WeakPolarHBondContact CA-O 3.41Å; A493-I498 HydrophobicContact CB-CG1 4.15Å; A493-H573 WeakPolarHBondContact CB-O 3.28Å; A493-K575 VanDerWaalsContact O-CD 3.32Å; A493-K575 WeakPolarHBondContact O-CD 3.43Å; A493-K575 WeakPolarHBondContact O-CE 3.39Å
494	T	82.9	Confident	78.2	Confident	55 Å²	55	53.9 Å²	53.9	34%	0.337	28%	0.284	S	S	.	.			trans	-100.4	-168.8	166.7	76	0	0	0	0	109.5	Q492 T496 S497 T574 K575	Q492-T494 PolarHBondContact O-N 3.32Å; T494-T496 VanDerWaalsContact C-N 3.28Å; T494-T496 PolarHBondContact OG1-N 2.93Å; T494-T496 VanDerWaalsContact OG1-N 3.15Å; T494-S497 WeakPolarHBondContact CG2-OG 3.42Å; T494-S497 PolarHBondContact N-O 2.86Å; T494-S497 PolarHBondContact OG1-N 2.89Å; T494-S497 PolarHBondContact OG1-OG 2.98Å; T494-T574 WeakPolarHBondContact O-CA 3.25Å; T494-K575 PolarHBondContact O-N 3.34Å
495	A	80.6	Confident	80	Confident	21 Å²	21	44.7 Å²	44.7	17%	0.174	24%	0.244	C	C	.	.	S	Bend	trans	-65	-28.6	170.2	0	0	0	0	0	113.5	P548	A495-P548 HydrophobicContact CB-CB 4.47Å; A495-P548 WeakPolarHBondContact O-CA 3.01Å
496	T	77.8	Confident	81.4	Confident	74 Å²	74	41.9 Å²	41.9	45%	0.454	23%	0.226	S	C	.	.	S	Bend	trans	-135.7	8.4	-170.4	61.1	0	0	0	0	114.3	T494 G545 L546	T494-T496 VanDerWaalsContact C-N 3.28Å; T494-T496 PolarHBondContact OG1-N 2.93Å; T494-T496 VanDerWaalsContact OG1-N 3.15Å; T496-G545 PolarHBondContact O-N 3.19Å; T496-L546 WeakPolarHBondContact CA-O 3.31Å; T496-L546 WeakPolarHBondContact CB-O 3.47Å; T496-L546 PolarHBondContact O-N 3.33Å
497	S	82.3	Confident	82	Confident	13 Å²	13	46.8 Å²	46.8	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	150.8	-179.8	73.5	0	0	0	0	113.5	A493 T494 L543	A493-S497 WeakPolarHBondContact CA-O 3.41Å; T494-S497 WeakPolarHBondContact CG2-OG 3.42Å; T494-S497 PolarHBondContact N-O 2.86Å; T494-S497 PolarHBondContact OG1-N 2.89Å; T494-S497 PolarHBondContact OG1-OG 2.98Å; S497-L543 CarbonylContact C-O 3.56Å; S497-L543 WeakPolarHBondContact CA-O 3.49Å; S497-L543 WeakPolarHBondContact CB-O 3.47Å
498	I	86.1	Confident	82.5	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.5	175.5	-64	167.6	0	0	0	107.8	A493 I500 T542 L543 L546 Y552 A572 T574	A493-I498 HydrophobicContact CB-CG1 4.15Å; I498-I500 HydrophobicContact CG2-CD1 3.72Å; I498-T542 CarbonylContact O-C 3.18Å; I498-T542 WeakPolarHBondContact O-CA 3.31Å; I498-L543 HydrophobicContact CB-CB 4.48Å; I498-L543 PolarHBondContact N-O 3.44Å; I498-L543 PolarHBondContact O-N 3.39Å; I498-L546 HydrophobicContact CB-CD1 4.02Å; I498-L546 HydrophobicContact CD1-CD1 3.45Å; I498-L546 VanDerWaalsContact CD1-CD1 3.45Å; I498-L546 HydrophobicContact CG1-CD1 3.56Å; I498-Y552 HydrophobicContact CD1-CD2 4.15Å; I498-Y552 HydrophobicContact CD1-CG 4.45Å; I498-A572 HydrophobicContact CD1-CB 3.74Å; I498-A572 HydrophobicContact CG1-CB 4.46Å; I498-A572 HydrophobicContact CG2-CB 3.79Å; I498-T574 HydrophobicContact CD1-CG2 3.93Å; I498-T574 HydrophobicContact CG1-CG2 4.06Å
499	L	87.3	Confident	82.4	Confident	27 Å²	27	53.7 Å²	53.7	14%	0.141	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.7	172.5	-173.6	67	0	0	0	109.3	S490 H491 E540	S490-L499 CarbonylContact C-O 3.13Å; S490-L499 WeakPolarHBondContact CA-O 3.24Å; H491-L499 PolarHBondContact N-O 2.87Å; H491-L499 WeakPolarHBondContact O-CB 3.28Å; H491-L499 PolarHBondContact O-N 3.3Å; L499-E540 HydrophobicContact CD1-CB 4.39Å
500	I	89.9	Confident	81.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.5	176.7	-52.6	-62.8	0	0	0	108.4	I498 L502 L517 E540 Y541 L543 V554	I498-I500 HydrophobicContact CG2-CD1 3.72Å; I500-L502 HydrophobicContact CG2-CD2 3.77Å; I500-L502 HydrophobicContact CG2-CG 4.19Å; I500-L517 HydrophobicContact CG1-CD1 4.5Å; I500-L517 HydrophobicContact CG2-CD1 4.17Å; I500-E540 WeakPolarHBondContact O-CA 3.43Å; I500-Y541 PolarHBondContact N-O 2.69Å; I500-Y541 PolarHBondContact O-N 2.79Å; I500-L543 HydrophobicContact CD1-CD1 4.16Å; I500-L543 HydrophobicContact CG1-CD1 3.87Å; I500-L543 HydrophobicContact CG1-CG 4.33Å; I500-V554 HydrophobicContact CD1-CB 4.33Å; I500-V554 HydrophobicContact CD1-CG1 4.05Å; I500-V554 HydrophobicContact CD1-CG2 4.17Å; I500-V554 HydrophobicContact CG1-CG1 4.29Å
501	D	87.4	Confident	81.4	Confident	39 Å²	39	63.9 Å²	63.9	21%	0.209	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.2	170.9	176.3	3.5	0	0	0	109.4	T489 H503	T489-D501 PolarHBondContact N-O 3.08Å; T489-D501 PolarHBondContact O-N 3.44Å; D501-H503 VanDerWaalsContact OD1-CB 3.28Å; D501-H503 WeakPolarHBondContact OD1-CB 3.46Å; D501-H503 IonicContact OD1-CD2 3.81Å; D501-H503 PolarHBondContact OD1-CD2 2.9Å; D501-H503 IonicContact OD1-CG 3.73Å; D501-H503 PolarHBondContact OD1-N 2.8Å
502	L	86.4	Confident	81.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.305	C	S	.	.			trans	-118.8	0.6	180	-57.8	175.6	0	0	0	112.2	I488 I500 R504 Y505 V506 I515 L517 L534 Q539 V556	I488-L502 HydrophobicContact CG2-CD2 3.92Å; I500-L502 HydrophobicContact CG2-CD2 3.77Å; I500-L502 HydrophobicContact CG2-CG 4.19Å; L502-R504 VanDerWaalsContact C-N 3.28Å; L502-R504 PolarHBondContact O-N 2.86Å; L502-Y505 PolarHBondContact O-N 2.84Å; L502-Y505 VanDerWaalsContact O-N 3.11Å; L502-V506 WeakPolarHBondContact O-CG2 3.43Å; L502-V506 PolarHBondContact O-N 2.73Å; L502-I515 HydrophobicContact CD1-CD1 4.18Å; L502-L517 HydrophobicContact CD1-CD1 4.49Å; L502-L517 HydrophobicContact CD2-CD1 4.46Å; L502-L534 HydrophobicContact CD1-CD1 3.95Å; L502-Q539 CarbonylContact C-O 3.49Å; L502-Q539 WeakPolarHBondContact CA-O 3.42Å; L502-Q539 WeakPolarHBondContact CB-O 3.28Å; L502-Q539 PolarHBondContact N-O 2.88Å; L502-V556 HydrophobicContact CD2-CG1 4.25Å; L502-V556 HydrophobicContact CD2-CG2 3.85Å
503	H	84.8	Confident	81.9	Confident	84 Å²	84	64.2 Å²	64.2	39%	0.389	31%	0.312	S	S	.	.	H	α-helix	trans	-51.3	-48.8	-176.2	-86.9	-88.9	0	0	0	111.5	D501 K507 Q539	D501-H503 VanDerWaalsContact OD1-CB 3.28Å; D501-H503 WeakPolarHBondContact OD1-CB 3.46Å; D501-H503 IonicContact OD1-CD2 3.81Å; D501-H503 PolarHBondContact OD1-CD2 2.9Å; D501-H503 IonicContact OD1-CG 3.73Å; D501-H503 PolarHBondContact OD1-N 2.8Å; H503-K507 VanDerWaalsContact O-CB 3.24Å; H503-K507 WeakPolarHBondContact O-CB 3.48Å; H503-K507 PolarHBondContact O-N 3.42Å; H503-Q539 PolarHBondContact CD2-O 3.16Å; H503-Q539 PolarHBondContact CE1-OE1 2.89Å; H503-Q539 PolarHBondContact N-O 3.38Å; H503-Q539 PolarHBondContact ND1-OE1 2.92Å; H503-Q539 VanDerWaalsContact ND1-OE1 3.16Å
504	R	83.4	Confident	81.9	Confident	88 Å²	88	63.3 Å²	63.3	33%	0.332	31%	0.305	S	S	.	.	H	α-helix	trans	-68.4	-46.1	179.3	178.2	177.3	177.4	147.1	4.9	112.1	T485 P486 D487 L502 V506 K507 M508	T485-R504 PolarHBondContact O-NH1 3.2Å; T485-R504 VanDerWaalsContact O-NH1 3.12Å; T485-R504 PolarHBondContact O-NH2 2.99Å; T485-R504 PolarHBondContact OG1-NH1 2.9Å; T485-R504 PolarHBondContact OG1-NH2 3.03Å; P486-R504 VanDerWaalsContact O-CD 3.28Å; P486-R504 WeakPolarHBondContact O-CD 3.26Å; D487-R504 IonicContact OD1-CZ 3.77Å; D487-R504 IonicContact OD1-NE 2.9Å; D487-R504 PolarHBondContact OD1-NE 2.92Å; D487-R504 VanDerWaalsContact OD1-NE 3.15Å; L502-R504 VanDerWaalsContact C-N 3.28Å; L502-R504 PolarHBondContact O-N 2.86Å; R504-V506 VanDerWaalsContact C-N 3.26Å; R504-V506 PolarHBondContact O-N 2.98Å; R504-K507 PolarHBondContact O-N 2.86Å; R504-K507 VanDerWaalsContact O-N 3.17Å; R504-M508 HydrophobicContact CG-CG 3.96Å; R504-M508 WeakPolarHBondContact O-CB 3.36Å; R504-M508 VanDerWaalsContact O-CG 3.26Å; R504-M508 WeakPolarHBondContact O-CG 3.19Å; R504-M508 PolarHBondContact O-N 3.23Å
505	Y	84.8	Confident	81.9	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-54.7	-45.5	-179.6	-175.3	-87.6	0	0	0	111.6	D487 I488 L502 R509 I512 I515 V556 S557 P558 V568	D487-Y505 PolarHBondContact O-N 2.9Å; I488-Y505 HydrophobicContact CG2-CD2 3.93Å; I488-Y505 HydrophobicContact CG2-CG 4.12Å; L502-Y505 PolarHBondContact O-N 2.84Å; L502-Y505 VanDerWaalsContact O-N 3.11Å; Y505-R509 WeakPolarHBondContact O-CB 3.4Å; Y505-R509 PolarHBondContact O-N 3.44Å; Y505-I512 HydrophobicContact CD1-CD1 4.49Å; Y505-I512 HydrophobicContact CE1-CD1 4.06Å; Y505-I515 HydrophobicContact CE1-CG2 4.44Å; Y505-V556 HydrophobicContact CD1-CG1 3.87Å; Y505-V556 HydrophobicContact CD2-CB 4.41Å; Y505-V556 HydrophobicContact CD2-CG1 4.07Å; Y505-V556 HydrophobicContact CE1-CG1 3.65Å; Y505-V556 HydrophobicContact CE2-CB 4.19Å; Y505-V556 HydrophobicContact CE2-CG1 3.85Å; Y505-V556 HydrophobicContact CG-CG1 4.09Å; Y505-S557 VanDerWaalsContact OH-C 3.22Å; Y505-S557 VanDerWaalsContact OH-CA 3.25Å; Y505-S557 WeakPolarHBondContact OH-CA 3.45Å; Y505-P558 VanDerWaalsContact OH-CD 3.28Å; Y505-P558 WeakPolarHBondContact OH-CD 3.37Å; Y505-V568 HydrophobicContact CD2-CB 4.49Å; Y505-V568 HydrophobicContact CD2-CG2 4.23Å; Y505-V568 HydrophobicContact CE2-CB 4.37Å; Y505-V568 HydrophobicContact CE2-CG2 3.96Å
506	V	83.7	Confident	82.1	Confident	20 Å²	20	65 Å²	65	12%	0.121	30%	0.3	C	S	.	.	H	α-helix	trans	-66.2	-48.9	175.3	172.2	0	0	0	0	111.5	L502 R504 M508 R509 I515 I536	L502-V506 WeakPolarHBondContact O-CG2 3.43Å; L502-V506 PolarHBondContact O-N 2.73Å; R504-V506 VanDerWaalsContact C-N 3.26Å; R504-V506 PolarHBondContact O-N 2.98Å; V506-M508 VanDerWaalsContact C-N 3.28Å; V506-M508 PolarHBondContact O-N 3.5Å; V506-R509 CarbonylContact O-C 3.25Å; V506-R509 PolarHBondContact O-N 3.32Å; V506-I515 HydrophobicContact CG2-CD1 3.58Å; V506-I536 HydrophobicContact CG1-CG2 3.6Å; V506-I536 HydrophobicContact CG2-CG2 4.29Å
507	K	82.6	Confident	82.5	Confident	183 Å²	183	61.5 Å²	61.5	80%	0.796	28%	0.279	S	S	*	.	H	α-helix	trans	-60.6	-35.2	-179	-174.5	176	-178.8	178.5	0	113.1	H503 R504 R509	H503-K507 VanDerWaalsContact O-CB 3.24Å; H503-K507 WeakPolarHBondContact O-CB 3.48Å; H503-K507 PolarHBondContact O-N 3.42Å; R504-K507 PolarHBondContact O-N 2.86Å; R504-K507 VanDerWaalsContact O-N 3.17Å; K507-R509 VanDerWaalsContact C-N 3.31Å
508	M	81.2	Confident	82.6	Confident	117 Å²	117	62.2 Å²	62.2	58%	0.576	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-13.6	177.6	-67.9	-64.1	-66.2	0	0	113.4	R504 V506	R504-M508 HydrophobicContact CG-CG 3.96Å; R504-M508 WeakPolarHBondContact O-CB 3.36Å; R504-M508 VanDerWaalsContact O-CG 3.26Å; R504-M508 WeakPolarHBondContact O-CG 3.19Å; R504-M508 PolarHBondContact O-N 3.23Å; V506-M508 VanDerWaalsContact C-N 3.28Å; V506-M508 PolarHBondContact O-N 3.5Å
509	R	81.5	Confident	82.7	Confident	64 Å²	64	62.5 Å²	62.5	24%	0.242	28%	0.284	C	S	.	.			trans	-134	65.4	-171.9	-62.6	178.4	-179.8	69.7	1.8	112.1	D487 Y505 V506 K507 H511 I512	D487-R509 IonicContact OD2-CZ 3.5Å; D487-R509 VanDerWaalsContact OD2-CZ 3.27Å; D487-R509 IonicContact OD2-NH1 2.64Å; D487-R509 PolarHBondContact OD2-NH1 2.8Å; D487-R509 IonicContact OD2-NH2 3.95Å; D487-R509 PolarHBondContact OD2-NH2 3.07Å; Y505-R509 WeakPolarHBondContact O-CB 3.4Å; Y505-R509 PolarHBondContact O-N 3.44Å; V506-R509 CarbonylContact O-C 3.25Å; V506-R509 PolarHBondContact O-N 3.32Å; K507-R509 VanDerWaalsContact C-N 3.31Å; R509-H511 PolarHBondContact O-N 3.13Å; R509-I512 HydrophobicContact CB-CD1 4.42Å; R509-I512 HydrophobicContact CB-CG2 3.87Å; R509-I512 WeakPolarHBondContact O-CG1 3.2Å; R509-I512 PolarHBondContact O-N 3.22Å
510	P	69.8	Low	82.5	Confident	102 Å²	102	66.2 Å²	66.2	66%	0.662	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	4	-171.7	30.4	-38.1	0	0	0	115.8
511	H	76.7	Confident	82.3	Confident	180 Å²	180	67 Å²	67	83%	0.833	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	6.2	-175.4	-63.1	-0	0	0	0	113.7	R509	R509-H511 PolarHBondContact O-N 3.13Å
512	I	80.3	Confident	81.9	Confident	25 Å²	25	68.1 Å²	68.1	13%	0.128	31%	0.305	C	S	.	.			trans	-69.6	149.1	172.6	65.6	-176.4	0	0	0	110.1	Y505 R509 I515 I536 P558	Y505-I512 HydrophobicContact CD1-CD1 4.49Å; Y505-I512 HydrophobicContact CE1-CD1 4.06Å; R509-I512 HydrophobicContact CB-CD1 4.42Å; R509-I512 HydrophobicContact CB-CG2 3.87Å; R509-I512 WeakPolarHBondContact O-CG1 3.2Å; R509-I512 PolarHBondContact O-N 3.22Å; I512-I515 HydrophobicContact CD1-CG1 3.95Å; I512-I536 HydrophobicContact CG1-CG1 4.29Å; I512-I536 HydrophobicContact CG1-CG2 4.46Å; I512-I536 WeakPolarHBondContact O-CD1 3.42Å; I512-P558 HydrophobicContact CB-CB 4.4Å; I512-P558 HydrophobicContact CG2-CB 3.83Å; I512-P558 HydrophobicContact CG2-CG 3.99Å
513	R	73.8	Confident	81.5	Confident	235 Å²	235	71.4 Å²	71.4	89%	0.887	33%	0.328	S	S	*	.	S	Bend	trans	-87.9	-12.2	175.6	-65.7	-176.4	179.4	-177.5	0	113.6
514	G	77	Confident	80.5	Confident	2 Å²	2	68 Å²	68	2%	0.021	32%	0.317	C	S	.	.			trans	166.9	173.3	-177.7	0	0	0	0	0	110.2	I559	G514-I559 PolarHBondContact O-N 3.11Å; G514-I559 VanDerWaalsContact O-N 3.08Å
515	I	83.5	Confident	79.2	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.7	-169.8	-53.9	171.4	0	0	0	108.4	L502 Y505 V506 I512 N533 L534 V556	L502-I515 HydrophobicContact CD1-CD1 4.18Å; Y505-I515 HydrophobicContact CE1-CG2 4.44Å; V506-I515 HydrophobicContact CG2-CD1 3.58Å; I512-I515 HydrophobicContact CD1-CG1 3.95Å; I515-N533 CarbonylContact O-C 3.48Å; I515-L534 HydrophobicContact CB-CB 4.22Å; I515-L534 PolarHBondContact N-O 2.88Å; I515-L534 PolarHBondContact O-N 2.89Å; I515-V556 HydrophobicContact CG2-CG1 3.3Å
516	R	84.5	Confident	78.1	Confident	112 Å²	112	69.6 Å²	69.6	42%	0.423	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	107.2	166.4	174	179.6	-86.2	-174.7	-6.7	107.5	T518 L532 V556 S557 I559	R516-T518 HydrophobicContact CG-CG2 4.15Å; R516-L532 CarbonylContact C-O 3.4Å; R516-L532 WeakPolarHBondContact CA-O 3.34Å; R516-V556 WeakPolarHBondContact O-CA 3.34Å; R516-S557 PolarHBondContact N-O 3.37Å; R516-S557 PolarHBondContact O-N 2.77Å; R516-I559 HydrophobicContact CB-CG1 4.11Å
517	L	85.9	Confident	77.4	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.4	171.3	-176.8	145	0	0	0	108.3	I500 L502 Y519 P531 L532 L534 L543 V554 C555 V556	I500-L517 HydrophobicContact CG1-CD1 4.5Å; I500-L517 HydrophobicContact CG2-CD1 4.17Å; L502-L517 HydrophobicContact CD1-CD1 4.49Å; L502-L517 HydrophobicContact CD2-CD1 4.46Å; L517-Y519 HydrophobicContact CD2-CD1 4.42Å; L517-P531 CarbonylContact O-C 3.53Å; L517-L532 HydrophobicContact CB-CB 4.36Å; L517-L532 HydrophobicContact CD2-CB 4.42Å; L517-L532 HydrophobicContact CD2-CD1 3.84Å; L517-L532 PolarHBondContact N-O 2.85Å; L517-L532 WeakPolarHBondContact O-CB 3.45Å; L517-L532 PolarHBondContact O-N 2.91Å; L517-L534 HydrophobicContact CB-CD1 4Å; L517-L534 HydrophobicContact CD1-CD1 4.08Å; L517-L543 HydrophobicContact CD2-CD1 4.38Å; L517-L543 HydrophobicContact CD2-CD2 3.9Å; L517-L543 HydrophobicContact CD2-CG 4.39Å; L517-V554 HydrophobicContact CD1-CG1 4.13Å; L517-V554 HydrophobicContact CD2-CG1 4.04Å; L517-V554 HydrophobicContact CG-CG1 4.02Å; L517-C555 CarbonylContact C-O 3.52Å; L517-C555 WeakPolarHBondContact CA-O 3.24Å; L517-V556 HydrophobicContact CB-CG2 4.48Å; L517-V556 HydrophobicContact CD1-CG2 4.02Å; L517-V556 HydrophobicContact CG-CG2 4.18Å
518	T	85.1	Confident	77	Confident	27 Å²	27	71.5 Å²	71.5	17%	0.166	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.5	174.3	56.7	0	0	0	0	109.7	R516 I530 P531 V554 C555	R516-T518 HydrophobicContact CG-CG2 4.15Å; T518-I530 WeakPolarHBondContact CA-O 3.45Å; T518-P531 HydrophobicContact CG2-CB 4.12Å; T518-V554 CarbonylContact O-C 3.52Å; T518-V554 VanDerWaalsContact O-CA 3.31Å; T518-V554 WeakPolarHBondContact O-CA 3.18Å; T518-C555 PolarHBondContact N-O 3.14Å; T518-C555 PolarHBondContact O-N 2.78Å
519	Y	86.8	Confident	76.9	Confident	8 Å²	8	69.5 Å²	69.5	3%	0.031	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.1	172.2	70.1	-78.2	0	0	0	110.9	H338 L517 I530 L532 L543 L546 Y552 N553	H338-Y519 AromaticContact CE1-CE1 3.69Å; H338-Y519 AromaticContact CE1-CZ 3.56Å; H338-Y519 PolarHBondContact CE1-OH 3.01Å; H338-Y519 AromaticContact NE2-CE1 3.27Å; H338-Y519 VanDerWaalsContact NE2-CE1 3.27Å; H338-Y519 WeakPolarHBondContact NE2-CE1 3.48Å; H338-Y519 AromaticContact NE2-CZ 3.52Å; H338-Y519 PolarHBondContact NE2-OH 3.25Å; H338-Y519 VanDerWaalsContact NE2-OH 3.07Å; L517-Y519 HydrophobicContact CD2-CD1 4.42Å; Y519-I530 HydrophobicContact CD1-CB 4.11Å; Y519-I530 HydrophobicContact CD1-CG2 4.43Å; Y519-I530 WeakPolarHBondContact CD1-O 3.43Å; Y519-I530 HydrophobicContact CE1-CB 3.63Å; Y519-I530 HydrophobicContact CE1-CD1 4.49Å; Y519-I530 HydrophobicContact CE1-CG2 3.57Å; Y519-I530 HydrophobicContact CE2-CB 4.31Å; Y519-I530 HydrophobicContact CE2-CD1 3.79Å; Y519-I530 PolarHBondContact N-O 3.22Å; Y519-I530 PolarHBondContact O-N 2.8Å; Y519-I530 WeakPolarHBondContact OH-CD1 3.48Å; Y519-L532 HydrophobicContact CD1-CD1 4.39Å; Y519-L532 HydrophobicContact CE1-CD1 4.16Å; Y519-L532 HydrophobicContact CE1-CG 4.48Å; Y519-L543 HydrophobicContact CD1-CD2 3.47Å; Y519-L543 VanDerWaalsContact CD1-CD2 3.47Å; Y519-L543 HydrophobicContact CD2-CD2 4.47Å; Y519-L543 HydrophobicContact CE1-CD2 3.72Å; Y519-L543 HydrophobicContact CG-CD1 4.34Å; Y519-L543 HydrophobicContact CG-CD2 3.91Å; Y519-L546 HydrophobicContact CD2-CD2 3.88Å; Y519-L546 HydrophobicContact CE2-CD2 3.53Å; Y519-Y552 AromaticContact CD2-CD1 3.88Å; Y519-Y552 HydrophobicContact CD2-CD1 3.88Å; Y519-Y552 HydrophobicContact CD2-CE1 4.04Å; Y519-Y552 HydrophobicContact CE2-CE1 4.32Å; Y519-N553 WeakPolarHBondContact CA-O 3.34Å
520	R	84.3	Confident	76.6	Confident	104 Å²	104	67.7 Å²	67.7	39%	0.392	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	141	176.2	56.5	-179.3	170.3	-163.1	-6	110.8	L522 R527 R528 Y552 N553	R520-L522 HydrophobicContact CG-CD2 4.09Å; R520-R527 WeakPolarHBondContact CB-O 3.16Å; R520-R528 WeakPolarHBondContact CB-O 3.3Å; R520-Y552 VanDerWaalsContact O-CA 3.3Å; R520-Y552 WeakPolarHBondContact O-CA 2.97Å; R520-Y552 WeakPolarHBondContact O-CD1 3.48Å; R520-N553 HydrophobicContact CG-CB 4Å; R520-N553 PolarHBondContact N-O 3.44Å; R520-N553 PolarHBondContact NE-ND2 2.8Å; R520-N553 PolarHBondContact NH2-ND2 2.86Å; R520-N553 PolarHBondContact O-N 3.07Å
521	N	83.9	Confident	77.2	Confident	18 Å²	18	64.7 Å²	64.7	10%	0.096	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	121.5	170.1	-166.6	-11.4	0	0	0	108.7	S523 G524 T551 Y552	N521-S523 WeakPolarHBondContact OD1-CA 3.46Å; N521-S523 WeakPolarHBondContact OD1-CB 3.27Å; N521-S523 PolarHBondContact OD1-N 2.92Å; N521-G524 PolarHBondContact OD1-N 3.17Å; N521-T551 PolarHBondContact OD1-O 2.9Å; N521-Y552 HydrophobicContact CB-CD1 4.11Å; N521-Y552 HydrophobicContact CB-CE1 3.59Å
522	L	80.6	Confident	77	Confident	61 Å²	61	56.2 Å²	56.2	32%	0.319	27%	0.269	S	S	.	.	S	Bend	trans	-86.7	-21.9	174.3	-60.4	-175.1	0	0	0	112.1	R520 T551 N553	R520-L522 HydrophobicContact CG-CD2 4.09Å; L522-T551 WeakPolarHBondContact CB-O 3.35Å; L522-T551 HydrophobicContact CD1-CG2 4.43Å; L522-T551 PolarHBondContact N-O 2.72Å; L522-N553 HydrophobicContact CD1-CB 3.98Å; L522-N553 HydrophobicContact CD2-CB 4.18Å; L522-N553 HydrophobicContact CG-CB 4.09Å
523	S	77.5	Confident	76.9	Confident	69 Å²	69	59 Å²	59	48%	0.483	28%	0.284	S	S	.	.	S	Bend	trans	-85.2	-16.6	178.8	-58.7	0	0	0	0	113.5	N521 T551	N521-S523 WeakPolarHBondContact OD1-CA 3.46Å; N521-S523 WeakPolarHBondContact OD1-CB 3.27Å; N521-S523 PolarHBondContact OD1-N 2.92Å; S523-T551 PolarHBondContact OG-N 2.97Å
524	G	64.5	Low	77.1	Confident	14 Å²	14	47.9 Å²	47.9	14%	0.144	24%	0.242	C	C	.	.	S	Bend	trans	-92	167.6	-178	0	0	0	0	0	114.8	N521	N521-G524 PolarHBondContact OD1-N 3.17Å
525	P	54.8	Low	77	Confident	95 Å²	95	50.6 Å²	50.6	62%	0.617	26%	0.259	S	S	*	.	S	Bend	trans	-70.7	-42.7	171.7	28.3	-32.7	0	0	0	112	R527	P525-R527 PolarHBondContact O-N 2.8Å
526	D	62.1	Low	76.8	Confident	26 Å²	26	53.7 Å²	53.7	14%	0.139	28%	0.275	C	S	.	.			trans	-77.5	111.6	168.7	-171.4	-1.9	0	0	0	110.1	S284 R528	S284-D526 PolarHBondContact OG-OD2 3.28Å; D526-R528 VanDerWaalsContact OD1-CB 3.27Å; D526-R528 WeakPolarHBondContact OD1-CB 3.33Å; D526-R528 VanDerWaalsContact OD1-CG 3.28Å; D526-R528 WeakPolarHBondContact OD1-CG 3.03Å; D526-R528 IonicContact OD1-CZ 2.86Å; D526-R528 PolarHBondContact OD1-N 2.81Å; D526-R528 IonicContact OD1-NE 2.69Å; D526-R528 PolarHBondContact OD1-NE 2.72Å; D526-R528 IonicContact OD1-NH2 3.71Å; D526-R528 IonicContact OD2-CZ 3.66Å; D526-R528 IonicContact OD2-NE 2.71Å; D526-R528 PolarHBondContact OD2-NE 2.76Å; D526-R528 IonicContact OD2-NH2 2.8Å; D526-R528 PolarHBondContact OD2-NH2 2.88Å
527	R	69.3	Low	76.4	Confident	165 Å²	165	53.8 Å²	53.8	62%	0.623	29%	0.288	S	S	*	.			trans	-104.9	9.4	-179.6	-64.7	-178.5	175.4	-179.5	-1.4	113.3	R520 P525	R520-R527 WeakPolarHBondContact CB-O 3.16Å; P525-R527 PolarHBondContact O-N 2.8Å
528	R	74.9	Confident	76	Confident	77 Å²	77	56.9 Å²	56.9	29%	0.291	30%	0.302	S	S	.	.			trans	-68.8	144.2	-175.4	-68.9	175.1	-65	-169.9	-2.7	111.6	P260 M261 G262 R520 D526 I530	P260-R528 PolarHBondContact O-NH1 3.42Å; P260-R528 PolarHBondContact O-NH2 2.97Å; M261-R528 PolarHBondContact O-NH1 2.94Å; G262-R528 VanDerWaalsContact N-NH1 3.13Å; R520-R528 WeakPolarHBondContact CB-O 3.3Å; D526-R528 VanDerWaalsContact OD1-CB 3.27Å; D526-R528 WeakPolarHBondContact OD1-CB 3.33Å; D526-R528 VanDerWaalsContact OD1-CG 3.28Å; D526-R528 WeakPolarHBondContact OD1-CG 3.03Å; D526-R528 IonicContact OD1-CZ 2.86Å; D526-R528 PolarHBondContact OD1-N 2.81Å; D526-R528 IonicContact OD1-NE 2.69Å; D526-R528 PolarHBondContact OD1-NE 2.72Å; D526-R528 IonicContact OD1-NH2 3.71Å; D526-R528 IonicContact OD2-CZ 3.66Å; D526-R528 IonicContact OD2-NE 2.71Å; D526-R528 PolarHBondContact OD2-NE 2.76Å; D526-R528 IonicContact OD2-NH2 2.8Å; D526-R528 PolarHBondContact OD2-NH2 2.88Å; R528-I530 PolarHBondContact O-N 2.03Å
529	P	78.4	Confident	75.7	Confident	75 Å²	75	60 Å²	60	49%	0.487	32%	0.315	S	S	.	.			trans	-72.4	122.6	173	29.6	-31.9	0	0	0	109.8	P531	P529-P531 VanDerWaalsContact O-CD 3.23Å; P529-P531 WeakPolarHBondContact O-CD 3.36Å
530	I	75.4	Confident	75.6	Confident	26 Å²	26	64.6 Å²	64.6	13%	0.133	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112.4	170.2	-60.2	168.4	0	0	0	107.7	P308 T518 Y519 R528	P308-I530 HydrophobicContact CB-CD1 4.41Å; P308-I530 HydrophobicContact CB-CG2 3.79Å; P308-I530 HydrophobicContact CG-CD1 4.16Å; P308-I530 HydrophobicContact CG-CG1 4.44Å; P308-I530 HydrophobicContact CG-CG2 3.86Å; T518-I530 WeakPolarHBondContact CA-O 3.45Å; Y519-I530 HydrophobicContact CD1-CB 4.11Å; Y519-I530 HydrophobicContact CD1-CG2 4.43Å; Y519-I530 WeakPolarHBondContact CD1-O 3.43Å; Y519-I530 HydrophobicContact CE1-CB 3.63Å; Y519-I530 HydrophobicContact CE1-CD1 4.49Å; Y519-I530 HydrophobicContact CE1-CG2 3.57Å; Y519-I530 HydrophobicContact CE2-CB 4.31Å; Y519-I530 HydrophobicContact CE2-CD1 3.79Å; Y519-I530 PolarHBondContact N-O 3.22Å; Y519-I530 PolarHBondContact O-N 2.8Å; Y519-I530 WeakPolarHBondContact OH-CD1 3.48Å; R528-I530 PolarHBondContact O-N 2.03Å
531	P	81.1	Confident	75.5	Confident	40 Å²	40	60 Å²	60	26%	0.26	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	144.6	177.1	32.5	-37.2	0	0	0	113.3	L517 T518 P529	L517-P531 CarbonylContact O-C 3.53Å; T518-P531 HydrophobicContact CG2-CB 4.12Å; P529-P531 VanDerWaalsContact O-CD 3.23Å; P529-P531 WeakPolarHBondContact O-CD 3.36Å
532	L	73.3	Confident	75.5	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.2	171.7	-78.7	171.6	0	0	0	108.7	H338 F339 R516 L517 Y519 Y541 L543	H338-L532 WeakPolarHBondContact NE2-CD1 3.01Å; F339-L532 HydrophobicContact CB-CD2 3.84Å; F339-L532 HydrophobicContact CD2-CD2 3.84Å; F339-L532 HydrophobicContact CG-CD2 4.14Å; R516-L532 CarbonylContact C-O 3.4Å; R516-L532 WeakPolarHBondContact CA-O 3.34Å; L517-L532 HydrophobicContact CB-CB 4.36Å; L517-L532 HydrophobicContact CD2-CB 4.42Å; L517-L532 HydrophobicContact CD2-CD1 3.84Å; L517-L532 PolarHBondContact N-O 2.85Å; L517-L532 WeakPolarHBondContact O-CB 3.45Å; L517-L532 PolarHBondContact O-N 2.91Å; Y519-L532 HydrophobicContact CD1-CD1 4.39Å; Y519-L532 HydrophobicContact CE1-CD1 4.16Å; Y519-L532 HydrophobicContact CE1-CG 4.48Å; L532-Y541 HydrophobicContact CD1-CE1 3.51Å; L532-L543 HydrophobicContact CD1-CD2 3.71Å
533	N	78.8	Confident	75.5	Confident	82 Å²	82	58 Å²	58	44%	0.439	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	101.8	174.7	-65.6	-36.7	0	0	0	109	F339 I515 I559	F339-N533 WeakPolarHBondContact CE2-O 3.19Å; F339-N533 VanDerWaalsContact CZ-O 3.24Å; F339-N533 WeakPolarHBondContact CZ-O 3.36Å; I515-N533 CarbonylContact O-C 3.48Å; N533-I559 HydrophobicContact CB-CD1 3.9Å
534	L	76.9	Confident	75.5	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	137.7	-178.7	-56.7	175	0	0	0	110.8	F339 P341 L502 I515 L517 Y541	F339-L534 HydrophobicContact CE2-CD2 4.28Å; P341-L534 HydrophobicContact CG-CD2 4.35Å; L502-L534 HydrophobicContact CD1-CD1 3.95Å; I515-L534 HydrophobicContact CB-CB 4.22Å; I515-L534 PolarHBondContact N-O 2.88Å; I515-L534 PolarHBondContact O-N 2.89Å; L517-L534 HydrophobicContact CB-CD1 4Å; L517-L534 HydrophobicContact CD1-CD1 4.08Å; L534-Y541 HydrophobicContact CD1-CD1 3.91Å; L534-Y541 HydrophobicContact CD1-CD2 4.39Å; L534-Y541 HydrophobicContact CD1-CG 3.82Å; L534-Y541 HydrophobicContact CD2-CD1 4.41Å; L534-Y541 HydrophobicContact CD2-CD2 3.92Å; L534-Y541 HydrophobicContact CD2-CE1 4.42Å; L534-Y541 HydrophobicContact CD2-CE2 3.96Å; L534-Y541 HydrophobicContact CD2-CG 4.15Å
535	P	76.3	Confident	75.7	Confident	59 Å²	59	62.7 Å²	62.7	38%	0.383	33%	0.334	S	S	.	.			trans	-62.2	153.2	166.3	-21.5	32.2	0	0	0	112.2	T537 F538	P535-T537 PolarHBondContact O-N 2.72Å; P535-T537 VanDerWaalsContact O-N 3.11Å; P535-F538 HydrophobicContact CB-CD2 4.02Å; P535-F538 HydrophobicContact CB-CE2 4.33Å; P535-F538 HydrophobicContact CG-CD2 3.99Å; P535-F538 HydrophobicContact CG-CE2 3.95Å; P535-F538 PolarHBondContact O-N 3.01Å; P535-F538 VanDerWaalsContact O-N 3.1Å
536	I	78	Confident	76.8	Confident	66 Å²	66	58.5 Å²	58.5	34%	0.338	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.8	178.9	-42.9	162.4	0	0	0	112.1	V506 I512 F538	V506-I536 HydrophobicContact CG1-CG2 3.6Å; V506-I536 HydrophobicContact CG2-CG2 4.29Å; I512-I536 HydrophobicContact CG1-CG1 4.29Å; I512-I536 HydrophobicContact CG1-CG2 4.46Å; I512-I536 WeakPolarHBondContact O-CD1 3.42Å; I536-F538 PolarHBondContact O-N 2.87Å
537	T	77.6	Confident	77.5	Confident	113 Å²	113	60.7 Å²	60.7	69%	0.693	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.5	177.4	52.7	0	0	0	0	113.7	P535 Q539	P535-T537 PolarHBondContact O-N 2.72Å; P535-T537 VanDerWaalsContact O-N 3.11Å; T537-Q539 PolarHBondContact O-N 2.67Å
538	F	75.7	Confident	78.1	Confident	65 Å²	65	55.8 Å²	55.8	29%	0.285	30%	0.304	S	S	.	.			trans	-83.6	92.8	176	-74.5	-91.8	0	0	0	110.4	P341 P535 I536	P341-F538 HydrophobicContact CB-CD1 4.42Å; P341-F538 HydrophobicContact CB-CE1 3.55Å; P341-F538 HydrophobicContact CB-CZ 3.8Å; P341-F538 HydrophobicContact CG-CD1 4.24Å; P341-F538 HydrophobicContact CG-CE1 3.63Å; P341-F538 HydrophobicContact CG-CE2 4.25Å; P341-F538 HydrophobicContact CG-CZ 3.64Å; P535-F538 HydrophobicContact CB-CD2 4.02Å; P535-F538 HydrophobicContact CB-CE2 4.33Å; P535-F538 HydrophobicContact CG-CD2 3.99Å; P535-F538 HydrophobicContact CG-CE2 3.95Å; P535-F538 PolarHBondContact O-N 3.01Å; P535-F538 VanDerWaalsContact O-N 3.1Å; I536-F538 PolarHBondContact O-N 2.87Å
539	Q	80.6	Confident	78.7	Confident	93 Å²	93	56.8 Å²	56.8	44%	0.435	32%	0.315	S	S	.	.	S	Bend	trans	-81.4	-22.5	176	-60.9	-179.9	-9.2	0	0	112.3	L502 H503 T537	L502-Q539 CarbonylContact C-O 3.49Å; L502-Q539 WeakPolarHBondContact CA-O 3.42Å; L502-Q539 WeakPolarHBondContact CB-O 3.28Å; L502-Q539 PolarHBondContact N-O 2.88Å; H503-Q539 PolarHBondContact CD2-O 3.16Å; H503-Q539 PolarHBondContact CE1-OE1 2.89Å; H503-Q539 PolarHBondContact N-O 3.38Å; H503-Q539 PolarHBondContact ND1-OE1 2.92Å; H503-Q539 VanDerWaalsContact ND1-OE1 3.16Å; T537-Q539 PolarHBondContact O-N 2.67Å
540	E	84.6	Confident	79	Confident	104 Å²	104	53.8 Å²	53.8	49%	0.486	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.6	165	-63	-173.3	144.9	0	0	109.4	L499 I500	L499-E540 HydrophobicContact CD1-CB 4.39Å; I500-E540 WeakPolarHBondContact O-CA 3.43Å
541	Y	81	Confident	79.5	Confident	9 Å²	9	54.4 Å²	54.4	4%	0.035	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	128.2	174.3	177.8	-106.4	0	0	0	112	H338 P341 I500 L532 L534 L543	H338-Y541 PolarHBondContact O-OH 2.73Å; P341-Y541 HydrophobicContact CB-CD2 4.41Å; P341-Y541 HydrophobicContact CB-CE2 4.06Å; P341-Y541 HydrophobicContact CG-CD2 4.17Å; P341-Y541 HydrophobicContact CG-CE2 3.81Å; I500-Y541 PolarHBondContact N-O 2.69Å; I500-Y541 PolarHBondContact O-N 2.79Å; L532-Y541 HydrophobicContact CD1-CE1 3.51Å; L534-Y541 HydrophobicContact CD1-CD1 3.91Å; L534-Y541 HydrophobicContact CD1-CD2 4.39Å; L534-Y541 HydrophobicContact CD1-CG 3.82Å; L534-Y541 HydrophobicContact CD2-CD1 4.41Å; L534-Y541 HydrophobicContact CD2-CD2 3.92Å; L534-Y541 HydrophobicContact CD2-CE1 4.42Å; L534-Y541 HydrophobicContact CD2-CE2 3.96Å; L534-Y541 HydrophobicContact CD2-CG 4.15Å; Y541-L543 HydrophobicContact CD1-CG 4.35Å; Y541-L543 HydrophobicContact CE1-CD2 3.88Å; Y541-L543 HydrophobicContact CE1-CG 4.07Å
542	T	83.9	Confident	79.7	Confident	35 Å²	35	53.1 Å²	53.1	22%	0.215	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	110.2	172.5	-32	0	0	0	0	110.5	I498 R544	I498-T542 CarbonylContact O-C 3.18Å; I498-T542 WeakPolarHBondContact O-CA 3.31Å; T542-R544 HydrophobicContact CG2-CG 4.09Å; T542-R544 PolarHBondContact O-N 3.06Å; T542-R544 PolarHBondContact OG1-NH2 3.1Å
543	L	81.7	Confident	80.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	129.8	161.2	-76.1	164.9	0	0	0	108.7	S497 I498 I500 L517 Y519 L532 Y541 L546 V554	S497-L543 CarbonylContact C-O 3.56Å; S497-L543 WeakPolarHBondContact CA-O 3.49Å; S497-L543 WeakPolarHBondContact CB-O 3.47Å; I498-L543 HydrophobicContact CB-CB 4.48Å; I498-L543 PolarHBondContact N-O 3.44Å; I498-L543 PolarHBondContact O-N 3.39Å; I500-L543 HydrophobicContact CD1-CD1 4.16Å; I500-L543 HydrophobicContact CG1-CD1 3.87Å; I500-L543 HydrophobicContact CG1-CG 4.33Å; L517-L543 HydrophobicContact CD2-CD1 4.38Å; L517-L543 HydrophobicContact CD2-CD2 3.9Å; L517-L543 HydrophobicContact CD2-CG 4.39Å; Y519-L543 HydrophobicContact CD1-CD2 3.47Å; Y519-L543 VanDerWaalsContact CD1-CD2 3.47Å; Y519-L543 HydrophobicContact CD2-CD2 4.47Å; Y519-L543 HydrophobicContact CE1-CD2 3.72Å; Y519-L543 HydrophobicContact CG-CD1 4.34Å; Y519-L543 HydrophobicContact CG-CD2 3.91Å; L532-L543 HydrophobicContact CD1-CD2 3.71Å; Y541-L543 HydrophobicContact CD1-CG 4.35Å; Y541-L543 HydrophobicContact CE1-CD2 3.88Å; Y541-L543 HydrophobicContact CE1-CG 4.07Å; L543-L546 HydrophobicContact CB-CD1 4.08Å; L543-V554 HydrophobicContact CD1-CG1 4.09Å; L543-V554 HydrophobicContact CD1-CG2 3.76Å
544	R	77.3	Confident	81.1	Confident	115 Å²	115	49.9 Å²	49.9	43%	0.434	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	151.9	-177.9	-64.6	175.4	-171.2	-89.2	-5.6	110.5	H338 T542	H338-R544 PolarHBondContact CE1-O 3.31Å; H338-R544 PolarHBondContact ND1-O 3.08Å; T542-R544 HydrophobicContact CG2-CG 4.09Å; T542-R544 PolarHBondContact O-N 3.06Å; T542-R544 PolarHBondContact OG1-NH2 3.1Å
545	G	67.6	Low	81.6	Confident	68 Å²	68	50.3 Å²	50.3	70%	0.701	28%	0.277	S	S	*	.	S	Bend	trans	84.8	30	-176.8	0	0	0	0	0	113.1	T496	T496-G545 PolarHBondContact O-N 3.19Å
546	L	79.5	Confident	82.2	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.031	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-87.3	154.2	178.1	-54.4	179	0	0	0	110.8	T496 I498 Y519 L543 Y552 T574	T496-L546 WeakPolarHBondContact CA-O 3.31Å; T496-L546 WeakPolarHBondContact CB-O 3.47Å; T496-L546 PolarHBondContact O-N 3.33Å; I498-L546 HydrophobicContact CB-CD1 4.02Å; I498-L546 HydrophobicContact CD1-CD1 3.45Å; I498-L546 VanDerWaalsContact CD1-CD1 3.45Å; I498-L546 HydrophobicContact CG1-CD1 3.56Å; Y519-L546 HydrophobicContact CD2-CD2 3.88Å; Y519-L546 HydrophobicContact CE2-CD2 3.53Å; L543-L546 HydrophobicContact CB-CD1 4.08Å; L546-Y552 HydrophobicContact CB-CE2 3.84Å; L546-Y552 HydrophobicContact CD1-CD2 4.41Å; L546-Y552 HydrophobicContact CD1-CE2 4.37Å; L546-Y552 HydrophobicContact CD2-CD1 4.31Å; L546-Y552 HydrophobicContact CD2-CE1 3.85Å; L546-Y552 HydrophobicContact CD2-CE2 4.34Å; L546-Y552 HydrophobicContact CG-CE2 4.41Å; L546-T574 HydrophobicContact CB-CG2 3.85Å; L546-T574 HydrophobicContact CD1-CG2 3.97Å
547	K	75.8	Confident	82.6	Confident	73 Å²	73	44.9 Å²	44.9	32%	0.317	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-74.6	144.5	174.1	-58.1	-151.7	-171.1	-146.5	0	110.1	E306 S550 Y552 T574	E306-K547 WeakPolarHBondContact OE2-CE 3.23Å; E306-K547 IonicContact OE2-NZ 3.21Å; E306-K547 PolarHBondContact OE2-NZ 2.92Å; K547-S550 WeakPolarHBondContact O-CB 3.4Å; K547-Y552 PolarHBondContact N-OH 3.1Å; K547-T574 WeakPolarHBondContact O-CB 3.36Å; K547-T574 PolarHBondContact O-OG1 3.35Å
548	P	82.8	Confident	82.9	Confident	61 Å²	61	40.3 Å²	40.3	40%	0.396	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	160.5	174	26.3	-33.6	0	0	0	112.8	A495 S550 G577	A495-P548 HydrophobicContact CB-CB 4.47Å; A495-P548 WeakPolarHBondContact O-CA 3.01Å; P548-S550 PolarHBondContact O-N 2.02Å; P548-S550 VanDerWaalsContact O-N 3.09Å; P548-S550 PolarHBondContact O-OG 2.82Å; P548-G577 VanDerWaalsContact CB-N 3.33Å
549	N	86.6	Confident	82.9	Confident	99 Å²	99	40.7 Å²	40.7	53%	0.529	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	35.1	175.9	-158	33.8	0	0	0	114.4	T574 K575	N549-T574 PolarHBondContact N-OG1 3.47Å; N549-K575 PolarHBondContact N-O 3.45Å
550	S	84	Confident	82.1	Confident	12 Å²	12	40 Å²	40	8%	0.084	24%	0.24	C	C	.	.			trans	-124.6	137.7	-168.4	-69.2	0	0	0	0	111.1	K547 P548 T574	K547-S550 WeakPolarHBondContact O-CB 3.4Å; P548-S550 PolarHBondContact O-N 2.02Å; P548-S550 VanDerWaalsContact O-N 3.09Å; P548-S550 PolarHBondContact O-OG 2.82Å; S550-T574 PolarHBondContact N-OG1 3.36Å; S550-T574 PolarHBondContact O-N 3.32Å; S550-T574 PolarHBondContact O-OG1 2.91Å
551	T	87.4	Confident	81.2	Confident	38 Å²	38	36.5 Å²	36.5	23%	0.233	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.1	177.6	-57.8	0	0	0	0	110.1	N521 L522 S523 H573	N521-T551 PolarHBondContact OD1-O 2.9Å; L522-T551 WeakPolarHBondContact CB-O 3.35Å; L522-T551 HydrophobicContact CD1-CG2 4.43Å; L522-T551 PolarHBondContact N-O 2.72Å; S523-T551 PolarHBondContact OG-N 2.97Å; T551-H573 PolarHBondContact OG1-ND1 3.1Å
552	Y	85.5	Confident	79.5	Confident	13 Å²	13	41.4 Å²	41.4	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.2	179.1	-73.9	-90.3	0	0	0	111.2	I498 Y519 R520 N521 L546 K547 Q571 A572 T574	I498-Y552 HydrophobicContact CD1-CD2 4.15Å; I498-Y552 HydrophobicContact CD1-CG 4.45Å; Y519-Y552 AromaticContact CD2-CD1 3.88Å; Y519-Y552 HydrophobicContact CD2-CD1 3.88Å; Y519-Y552 HydrophobicContact CD2-CE1 4.04Å; Y519-Y552 HydrophobicContact CE2-CE1 4.32Å; R520-Y552 VanDerWaalsContact O-CA 3.3Å; R520-Y552 WeakPolarHBondContact O-CA 2.97Å; R520-Y552 WeakPolarHBondContact O-CD1 3.48Å; N521-Y552 HydrophobicContact CB-CD1 4.11Å; N521-Y552 HydrophobicContact CB-CE1 3.59Å; L546-Y552 HydrophobicContact CB-CE2 3.84Å; L546-Y552 HydrophobicContact CD1-CD2 4.41Å; L546-Y552 HydrophobicContact CD1-CE2 4.37Å; L546-Y552 HydrophobicContact CD2-CD1 4.31Å; L546-Y552 HydrophobicContact CD2-CE1 3.85Å; L546-Y552 HydrophobicContact CD2-CE2 4.34Å; L546-Y552 HydrophobicContact CG-CE2 4.41Å; K547-Y552 PolarHBondContact N-OH 3.1Å; Y552-Q571 WeakPolarHBondContact O-CA 3.48Å; Y552-A572 PolarHBondContact N-O 3.19Å; Y552-A572 PolarHBondContact O-N 2.87Å; Y552-T574 HydrophobicContact CD2-CG2 4.14Å; Y552-T574 HydrophobicContact CE2-CG2 3.99Å
553	N	90.3	Very high	78	Confident	17 Å²	17	43.5 Å²	43.5	9%	0.091	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.3	167.4	177.1	86.3	0	0	0	108.7	Y519 R520 L522 C555	Y519-N553 WeakPolarHBondContact CA-O 3.34Å; R520-N553 HydrophobicContact CG-CB 4Å; R520-N553 PolarHBondContact N-O 3.44Å; R520-N553 PolarHBondContact NE-ND2 2.8Å; R520-N553 PolarHBondContact NH2-ND2 2.86Å; R520-N553 PolarHBondContact O-N 3.07Å; L522-N553 HydrophobicContact CD1-CB 3.98Å; L522-N553 HydrophobicContact CD2-CB 4.18Å; L522-N553 HydrophobicContact CG-CB 4.09Å; N553-C555 PolarHBondContact ND2-SG 2.75Å
554	V	89.6	Confident	76.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.2	-176.7	-173.9	0	0	0	0	108.7	I500 L517 T518 L543 C569 T570	I500-V554 HydrophobicContact CD1-CB 4.33Å; I500-V554 HydrophobicContact CD1-CG1 4.05Å; I500-V554 HydrophobicContact CD1-CG2 4.17Å; I500-V554 HydrophobicContact CG1-CG1 4.29Å; L517-V554 HydrophobicContact CD1-CG1 4.13Å; L517-V554 HydrophobicContact CD2-CG1 4.04Å; L517-V554 HydrophobicContact CG-CG1 4.02Å; T518-V554 CarbonylContact O-C 3.52Å; T518-V554 VanDerWaalsContact O-CA 3.31Å; T518-V554 WeakPolarHBondContact O-CA 3.18Å; L543-V554 HydrophobicContact CD1-CG1 4.09Å; L543-V554 HydrophobicContact CD1-CG2 3.76Å; V554-C569 CarbonylContact O-C 3.59Å; V554-C569 VanDerWaalsContact O-CA 3.25Å; V554-C569 WeakPolarHBondContact O-CA 3.38Å; V554-T570 HydrophobicContact CB-CG2 4.31Å; V554-T570 PolarHBondContact N-O 3.17Å; V554-T570 PolarHBondContact O-N 3.22Å
555	C	88.6	Confident	75.4	Confident	11 Å²	11	48.6 Å²	48.6	7%	0.074	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	155	179.3	-58.1	0	0	0	0	111.4	L517 T518 N553 V568 C569	L517-C555 CarbonylContact C-O 3.52Å; L517-C555 WeakPolarHBondContact CA-O 3.24Å; T518-C555 PolarHBondContact N-O 3.14Å; T518-C555 PolarHBondContact O-N 2.78Å; N553-C555 PolarHBondContact ND2-SG 2.75Å; C555-V568 CarbonylContact C-O 3.41Å; C555-V568 VanDerWaalsContact CA-O 3.23Å; C555-V568 WeakPolarHBondContact CA-O 3.49Å; C555-C569 HydrophobicContact CB-CB 4.08Å; C555-C569 WeakPolarHBondContact CB-SG 3.4Å; C555-C569 WeakPolarHBondContact SG-CB 3.43Å; C555-C569 CovalentContact SG-SG 2.04Å; C555-C569 PolarHBondContact SG-SG 3.03Å
556	V	87.9	Confident	75	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	124.4	-175.4	-174.8	0	0	0	0	110.1	I488 L502 Y505 I515 R516 L517 S567 V568	I488-V556 HydrophobicContact CD1-CB 4.24Å; I488-V556 HydrophobicContact CD1-CG2 3.65Å; I488-V556 HydrophobicContact CG2-CB 4.3Å; I488-V556 HydrophobicContact CG2-CG2 4.1Å; L502-V556 HydrophobicContact CD2-CG1 4.25Å; L502-V556 HydrophobicContact CD2-CG2 3.85Å; Y505-V556 HydrophobicContact CD1-CG1 3.87Å; Y505-V556 HydrophobicContact CD2-CB 4.41Å; Y505-V556 HydrophobicContact CD2-CG1 4.07Å; Y505-V556 HydrophobicContact CE1-CG1 3.65Å; Y505-V556 HydrophobicContact CE2-CB 4.19Å; Y505-V556 HydrophobicContact CE2-CG1 3.85Å; Y505-V556 HydrophobicContact CG-CG1 4.09Å; I515-V556 HydrophobicContact CG2-CG1 3.3Å; R516-V556 WeakPolarHBondContact O-CA 3.34Å; L517-V556 HydrophobicContact CB-CG2 4.48Å; L517-V556 HydrophobicContact CD1-CG2 4.02Å; L517-V556 HydrophobicContact CG-CG2 4.18Å; V556-S567 WeakPolarHBondContact O-CA 3.43Å; V556-V568 PolarHBondContact N-O 3.38Å; V556-V568 PolarHBondContact O-N 3.13Å
557	S	86.9	Confident	74.9	Confident	10 Å²	10	52.1 Å²	52.1	7%	0.07	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	162.4	177.8	59	0	0	0	0	112.2	Y505 R516	Y505-S557 VanDerWaalsContact OH-C 3.22Å; Y505-S557 VanDerWaalsContact OH-CA 3.25Å; Y505-S557 WeakPolarHBondContact OH-CA 3.45Å; R516-S557 PolarHBondContact N-O 3.37Å; R516-S557 PolarHBondContact O-N 2.77Å
558	P	84.4	Confident	75.4	Confident	17 Å²	17	50.1 Å²	50.1	11%	0.11	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	140.9	174.3	-20	35	0	0	0	111.8	Y505 I512 G560 A561	Y505-P558 VanDerWaalsContact OH-CD 3.28Å; Y505-P558 WeakPolarHBondContact OH-CD 3.37Å; I512-P558 HydrophobicContact CB-CB 4.4Å; I512-P558 HydrophobicContact CG2-CB 3.83Å; I512-P558 HydrophobicContact CG2-CG 3.99Å; P558-G560 PolarHBondContact O-N 3.05Å; P558-G560 VanDerWaalsContact O-N 3.1Å; P558-A561 HydrophobicContact CB-CB 4.41Å; P558-A561 PolarHBondContact O-N 2.97Å
559	I	74.8	Confident	75.6	Confident	73 Å²	73	50.1 Å²	50.1	37%	0.374	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	114.4	171	-64	178	0	0	0	109	G514 R516 N533	G514-I559 PolarHBondContact O-N 3.11Å; G514-I559 VanDerWaalsContact O-N 3.08Å; R516-I559 HydrophobicContact CB-CG1 4.11Å; N533-I559 HydrophobicContact CB-CD1 3.9Å
560	G	64.8	Low	75.7	Confident	78 Å²	78	46.8 Å²	46.8	80%	0.804	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.5	-1.8	-178.7	0	0	0	0	0	115.3	P558	P558-G560 PolarHBondContact O-N 3.05Å; P558-G560 VanDerWaalsContact O-N 3.1Å
561	A	64.3	Low	75.9	Confident	31 Å²	31	52.1 Å²	52.1	26%	0.256	34%	0.34	S	S	.	.			trans	-66.2	138.5	173.1	0	0	0	0	0	111.7	P558 S563	P558-A561 HydrophobicContact CB-CB 4.41Å; P558-A561 PolarHBondContact O-N 2.97Å; A561-S563 PolarHBondContact O-N 3.27Å
562	A	47	Very low	75.9	Confident	112 Å²	112	50.7 Å²	50.7	93%	0.926	33%	0.332	S	S	*	.	S	Bend	trans	-84.4	-3.9	-172.2	0	0	0	0	0	114.9
563	S	51.5	Low	76	Confident	80 Å²	80	54.4 Å²	54.4	56%	0.559	35%	0.35	S	S	*	.	S	Bend	trans	-159.1	156.1	-177.8	-174.5	0	0	0	0	111.9	A561 A565	A561-S563 PolarHBondContact O-N 3.27Å; S563-A565 PolarHBondContact O-N 3.45Å; S563-A565 VanDerWaalsContact O-N 3.09Å
564	D	53.1	Low	75.8	Confident	128 Å²	128	53.6 Å²	53.6	68%	0.684	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-64.4	-5.5	172.6	-68.9	-41.3	0	0	0	113.6	E566 S567	D564-E566 PolarHBondContact O-N 2.96Å; D564-S567 VanDerWaalsContact O-CB 3.26Å; D564-S567 WeakPolarHBondContact O-CB 3.37Å; D564-S567 PolarHBondContact O-N 3.08Å; D564-S567 PolarHBondContact O-OG 2.79Å
565	A	50.8	Low	75.6	Confident	93 Å²	93	59.7 Å²	59.7	77%	0.769	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-60.3	-23.5	177.7	0	0	0	0	0	114.7	S563	S563-A565 PolarHBondContact O-N 3.45Å; S563-A565 VanDerWaalsContact O-N 3.09Å
566	E	60.4	Low	75.3	Confident	113 Å²	113	63.3 Å²	63.3	53%	0.528	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-95	2.1	172.5	-65.3	-167.8	156.8	0	0	113.5	D564	D564-E566 PolarHBondContact O-N 2.96Å
567	S	76.5	Confident	73.9	Confident	35 Å²	35	65.1 Å²	65.1	25%	0.245	41%	0.414	C	S	.	.			trans	-77.9	128.8	-178.9	74.9	0	0	0	0	111.7	V556 D564	V556-S567 WeakPolarHBondContact O-CA 3.43Å; D564-S567 VanDerWaalsContact O-CB 3.26Å; D564-S567 WeakPolarHBondContact O-CB 3.37Å; D564-S567 PolarHBondContact O-N 3.08Å; D564-S567 PolarHBondContact O-OG 2.79Å
568	V	85.2	Confident	72	Confident	31 Å²	31	69.8 Å²	69.8	19%	0.188	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.1	170.8	-176.4	0	0	0	0	107.5	D487 I488 Y505 C555 V556	D487-V568 HydrophobicContact CB-CB 4.36Å; D487-V568 HydrophobicContact CB-CG1 3.68Å; D487-V568 HydrophobicContact CB-CG2 4Å; I488-V568 HydrophobicContact CD1-CB 4.49Å; I488-V568 HydrophobicContact CD1-CG1 4.26Å; I488-V568 VanDerWaalsContact CD1-O 3.24Å; I488-V568 WeakPolarHBondContact CD1-O 3.43Å; I488-V568 HydrophobicContact CG1-CG1 3.9Å; Y505-V568 HydrophobicContact CD2-CB 4.49Å; Y505-V568 HydrophobicContact CD2-CG2 4.23Å; Y505-V568 HydrophobicContact CE2-CB 4.37Å; Y505-V568 HydrophobicContact CE2-CG2 3.96Å; C555-V568 CarbonylContact C-O 3.41Å; C555-V568 VanDerWaalsContact CA-O 3.23Å; C555-V568 WeakPolarHBondContact CA-O 3.49Å; V556-V568 PolarHBondContact N-O 3.38Å; V556-V568 PolarHBondContact O-N 3.13Å
569	C	87.9	Confident	69.8	Low	61 Å²	61	73.6 Å²	73.6	41%	0.412	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.3	-178.4	-56.1	0	0	0	0	113.1	V554 C555	V554-C569 CarbonylContact O-C 3.59Å; V554-C569 VanDerWaalsContact O-CA 3.25Å; V554-C569 WeakPolarHBondContact O-CA 3.38Å; C555-C569 HydrophobicContact CB-CB 4.08Å; C555-C569 WeakPolarHBondContact CB-SG 3.4Å; C555-C569 WeakPolarHBondContact SG-CB 3.43Å; C555-C569 CovalentContact SG-SG 2.04Å; C555-C569 PolarHBondContact SG-SG 3.03Å
570	T	87.7	Confident	67.9	Low	29 Å²	29	73.5 Å²	73.5	18%	0.178	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.2	167.2	-171.7	0	0	0	0	110	I488 V554	I488-T570 HydrophobicContact CD1-CG2 3.97Å; I488-T570 HydrophobicContact CG1-CG2 4.09Å; V554-T570 HydrophobicContact CB-CG2 4.31Å; V554-T570 PolarHBondContact N-O 3.17Å; V554-T570 PolarHBondContact O-N 3.22Å
571	Q	89.6	Confident	66.3	Low	124 Å²	124	75.8 Å²	75.8	58%	0.579	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	144.1	170.5	-68	-175.6	6	0	0	110	S490 Y552	S490-Q571 PolarHBondContact OG-O 3.04Å; Y552-Q571 WeakPolarHBondContact O-CA 3.48Å
572	A	87	Confident	64.7	Low	9 Å²	9	77.1 Å²	77.1	7%	0.074	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	139.9	-178.4	0	0	0	0	0	110.1	I498 Y552	I498-A572 HydrophobicContact CD1-CB 3.74Å; I498-A572 HydrophobicContact CG1-CB 4.46Å; I498-A572 HydrophobicContact CG2-CB 3.79Å; Y552-A572 PolarHBondContact N-O 3.19Å; Y552-A572 PolarHBondContact O-N 2.87Å
573	H	87.4	Confident	63.8	Low	91 Å²	91	75.8 Å²	75.8	42%	0.421	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.8	-174.9	-176.1	79.1	0	0	0	109.9	A493 T551	A493-H573 WeakPolarHBondContact CB-O 3.28Å; T551-H573 PolarHBondContact OG1-ND1 3.1Å
574	T	86.4	Confident	63	Low	0 Å²	0	81.2 Å²	81.2	0%	0	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-71.8	143	172.1	53.2	0	0	0	0	109.7	T494 I498 L546 K547 N549 S550 Y552	T494-T574 WeakPolarHBondContact O-CA 3.25Å; I498-T574 HydrophobicContact CD1-CG2 3.93Å; I498-T574 HydrophobicContact CG1-CG2 4.06Å; L546-T574 HydrophobicContact CB-CG2 3.85Å; L546-T574 HydrophobicContact CD1-CG2 3.97Å; K547-T574 WeakPolarHBondContact O-CB 3.36Å; K547-T574 PolarHBondContact O-OG1 3.35Å; N549-T574 PolarHBondContact N-OG1 3.47Å; S550-T574 PolarHBondContact N-OG1 3.36Å; S550-T574 PolarHBondContact O-N 3.32Å; S550-T574 PolarHBondContact O-OG1 2.91Å; Y552-T574 HydrophobicContact CD2-CG2 4.14Å; Y552-T574 HydrophobicContact CE2-CG2 3.99Å
575	K	85.9	Confident	62.1	Low	128 Å²	128	80.1 Å²	80.1	56%	0.557	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-64	157.6	176.6	-69.8	-178.2	178.6	176.6	0	110.2	A493 T494 N549 G577	A493-K575 VanDerWaalsContact O-CD 3.32Å; A493-K575 WeakPolarHBondContact O-CD 3.43Å; A493-K575 WeakPolarHBondContact O-CE 3.39Å; T494-K575 PolarHBondContact O-N 3.34Å; N549-K575 PolarHBondContact N-O 3.45Å; K575-G577 PolarHBondContact O-N 3.29Å
576	P	82.1	Confident	61.4	Low	86 Å²	86	82 Å²	82	56%	0.558	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-49	139.1	164.1	-26.1	35.1	0	0	0	109.9	S578	P576-S578 PolarHBondContact O-N 3.47Å; P576-S578 VanDerWaalsContact O-N 3.11Å
577	G	59.1	Low	60.2	Low	38 Å²	38	81.1 Å²	81.1	39%	0.392	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-60.3	119.8	174.2	0	0	0	0	0	107.9	P548 K575 S579	P548-G577 VanDerWaalsContact CB-N 3.33Å; K575-G577 PolarHBondContact O-N 3.29Å; G577-S579 PolarHBondContact O-N 3.49Å
578	S	46.7	Very low	58.3	Low	108 Å²	108	85 Å²	85	76%	0.755	53%	0.531	S	S	*	.			trans	-63.8	87.3	150.2	57.6	0	0	0	0	105.9	P576 G580	P576-S578 PolarHBondContact O-N 3.47Å; P576-S578 VanDerWaalsContact O-N 3.11Å; S578-G580 PolarHBondContact O-N 3.19Å
579	S	38.4	Very low	56.4	Low	98 Å²	98	87 Å²	87	69%	0.685	55%	0.551	S	S	*	*			trans	-45.4	136.9	143.2	-177.2	0	0	0	0	106	G577 T581	G577-S579 PolarHBondContact O-N 3.49Å; S579-T581 PolarHBondContact O-N 3.38Å; S579-T581 PolarHBondContact O-OG1 2.83Å
580	G	33.6	Very low	54.2	Low	71 Å²	71	92 Å²	92	73%	0.732	56%	0.562	S	S	*	*			trans	-67.7	71.8	172.5	0	0	0	0	0	110.4	S578 G582	S578-G580 PolarHBondContact O-N 3.19Å; G580-G582 PolarHBondContact O-N 2.76Å
581	T	32.1	Very low	52	Low	125 Å²	125	93.7 Å²	93.7	77%	0.767	58%	0.579	S	S	*	*				-49.4	110.6	129.6	44.8	0	0	0	0	104.3	S579 A583	S579-T581 PolarHBondContact O-N 3.38Å; S579-T581 PolarHBondContact O-OG1 2.83Å; T581-A583 PolarHBondContact O-N 2.04Å
582	G	31	Very low	49.8	Very low	60 Å²	60	90.1 Å²	90.1	62%	0.619	58%	0.576	S	S	*	*			trans	-47.7	147.8	170.9	0	0	0	0	0	108.1	G580 Q584	G580-G582 PolarHBondContact O-N 2.76Å; G582-Q584 PolarHBondContact O-N 2.91Å; G582-Q584 VanDerWaalsContact O-N 3.15Å
583	A	27.5	Very low	48.3	Very low	83 Å²	83	94 Å²	94	69%	0.686	60%	0.599	S	S	*	*			trans	-43.4	132	169.6	0	0	0	0	0	108.1	T581 I585	T581-A583 PolarHBondContact O-N 2.04Å; A583-I585 HydrophobicContact CB-CG1 4.08Å; A583-I585 PolarHBondContact O-N 3.39Å
584	Q	33.7	Very low	46.7	Very low	194 Å²	194	94.7 Å²	94.7	91%	0.907	61%	0.609	S	S	*	*			trans	-65.8	74.3	160.2	-81.9	-170.9	-62.8	0	0	107	G582 D586	G582-Q584 PolarHBondContact O-N 2.91Å; G582-Q584 VanDerWaalsContact O-N 3.15Å; Q584-D586 PolarHBondContact O-N 3.06Å
585	I	35.6	Very low	45.2	Very low	105 Å²	105	99.3 Å²	99.3	54%	0.538	63%	0.633	S	S	.	*			trans	-67.2	118.3	147.9	-56.6	171.6	0	0	0	103	A583 T587	A583-I585 HydrophobicContact CB-CG1 4.08Å; A583-I585 PolarHBondContact O-N 3.39Å; I585-T587 HydrophobicContact CB-CG2 4.06Å; I585-T587 HydrophobicContact CG2-CG2 3.81Å; I585-T587 PolarHBondContact O-N 3.21Å; I585-T587 PolarHBondContact O-OG1 3.16Å
586	D	35.1	Very low	43.9	Very low	134 Å²	134	98 Å²	98	72%	0.717	64%	0.636	S	S	*	*			trans	-56.6	90.5	166	-77.5	-51.1	0	0	0	108.8	Q584 S588	Q584-D586 PolarHBondContact O-N 3.06Å; D586-S588 PolarHBondContact O-N 3.11Å
587	T	36.2	Very low	42.8	Very low	94 Å²	94	97 Å²	97	58%	0.577	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	22.6	-173.3	28.8	0	0	0	0	111.7	I585 A589	I585-T587 HydrophobicContact CB-CG2 4.06Å; I585-T587 HydrophobicContact CG2-CG2 3.81Å; I585-T587 PolarHBondContact O-N 3.21Å; I585-T587 PolarHBondContact O-OG1 3.16Å; T587-A589 PolarHBondContact O-N 2.95Å
588	S	37.2	Very low	43.2	Very low	117 Å²	117	97.5 Å²	97.5	82%	0.818	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-15.5	160.7	55.3	0	0	0	0	112.8	D586	D586-S588 PolarHBondContact O-N 3.11Å
589	A	44.6	Very low	44.4	Very low	72 Å²	72	99.7 Å²	99.7	60%	0.595	62%	0.622	S	S	*	*	S	Bend	trans	-105.5	-14	-177.5	0	0	0	0	0	115.8	T587	T587-A589 PolarHBondContact O-N 2.95Å
590	Y	41.8	Very low	46.1	Very low	166 Å²	166	97.8 Å²	97.8	65%	0.651	61%	0.612	S	S	*	*	S	Bend	trans	-105.2	-0.5	-168.8	-104.8	-83.7	0	0	0	116.2
591	A	41	Very low	48.3	Very low	65 Å²	65	99.1 Å²	99.1	54%	0.537	60%	0.601	S	S	.	*	S	Bend	trans	-77.7	-26.5	172.3	0	0	0	0	0	113.1
592	G	44.3	Very low	50.5	Low	49 Å²	49	99 Å²	99	51%	0.505	59%	0.594	S	S	.	*	H	α-helix	trans	-74.7	-26.3	-172.6	0	0	0	0	0	115.4	V596	G592-V596 VanDerWaalsContact O-CG2 3.28Å; G592-V596 WeakPolarHBondContact O-CG2 3.37Å
593	T	55.3	Low	52.9	Low	91 Å²	91	101 Å²	101	56%	0.558	59%	0.589	S	S	*	*	H	α-helix	trans	-90.6	-22	-167.6	43.4	0	0	0	0	115	P597	T593-P597 WeakPolarHBondContact O-CD 3.26Å; T593-P597 WeakPolarHBondContact O-CG 3.38Å
594	V	52.6	Low	55.7	Low	104 Å²	104	102 Å²	102	63%	0.63	58%	0.582	S	S	*	*	H	α-helix	trans	-100.8	-30.6	-178.9	-174.7	0	0	0	0	112.4	P597 A598	V594-P597 WeakPolarHBondContact O-CD 3.48Å; V594-P597 WeakPolarHBondContact O-CG 3.45Å; V594-A598 PolarHBondContact O-N 2.88Å
595	L	55.1	Low	58.2	Low	97 Å²	97	97.4 Å²	97.4	51%	0.508	56%	0.564	S	S	.	*	H	α-helix	trans	-69.4	-38.2	177.6	-79.4	164.8	0	0	0	112.7	A598 Y599	L595-A598 PolarHBondContact O-N 3.26Å; L595-Y599 HydrophobicContact CB-CD2 4.35Å; L595-Y599 HydrophobicContact CB-CE2 4.45Å; L595-Y599 HydrophobicContact CD2-CD2 4.48Å; L595-Y599 HydrophobicContact CD2-CE2 3.97Å; L595-Y599 VanDerWaalsContact O-CD2 3.26Å; L595-Y599 WeakPolarHBondContact O-CD2 3.04Å; L595-Y599 PolarHBondContact O-N 3.35Å
596	V	58.6	Low	60.7	Low	102 Å²	102	99 Å²	99	62%	0.618	57%	0.567	S	S	*	*	H	α-helix	trans	-59.6	-52.3	-179.5	173.8	0	0	0	0	113.3	G592 A598 Y599 A600	G592-V596 VanDerWaalsContact O-CG2 3.28Å; G592-V596 WeakPolarHBondContact O-CG2 3.37Å; V596-A598 VanDerWaalsContact C-N 3.34Å; V596-A598 PolarHBondContact O-N 3.02Å; V596-Y599 PolarHBondContact O-N 3.04Å; V596-A600 WeakPolarHBondContact O-CB 3.06Å; V596-A600 PolarHBondContact O-N 3.26Å
597	P	60.4	Low	63.2	Low	63 Å²	63	97.2 Å²	97.2	41%	0.409	56%	0.557	S	S	.	*	H	α-helix	trans	-65.8	-34.5	176.4	24.1	-32.9	0	0	0	112.7	T593 V594 A600 I601	T593-P597 WeakPolarHBondContact O-CD 3.26Å; T593-P597 WeakPolarHBondContact O-CG 3.38Å; V594-P597 WeakPolarHBondContact O-CD 3.48Å; V594-P597 WeakPolarHBondContact O-CG 3.45Å; P597-A600 PolarHBondContact O-N 3.4Å; P597-I601 WeakPolarHBondContact O-CD1 3.17Å; P597-I601 VanDerWaalsContact O-CG1 3.26Å; P597-I601 WeakPolarHBondContact O-CG1 3.26Å; P597-I601 PolarHBondContact O-N 2.91Å
598	A	65.8	Low	65.7	Low	49 Å²	49	96.9 Å²	96.9	41%	0.405	55%	0.551	S	S	.	*	H	α-helix	trans	-63.8	-45.4	176.1	0	0	0	0	0	112.2	V594 L595 V596 I601 M602	V594-A598 PolarHBondContact O-N 2.88Å; L595-A598 PolarHBondContact O-N 3.26Å; V596-A598 VanDerWaalsContact C-N 3.34Å; V596-A598 PolarHBondContact O-N 3.02Å; A598-I601 PolarHBondContact O-N 3.16Å; A598-M602 WeakPolarHBondContact O-CG 3.24Å; A598-M602 PolarHBondContact O-N 3.36Å
599	Y	72.2	Confident	68	Low	155 Å²	155	94 Å²	94	61%	0.608	53%	0.534	S	S	*	.	H	α-helix	trans	-65.2	-38.9	173.7	-83.2	-66.4	0	0	0	112.3	L595 V596 I601 M602 I603	L595-Y599 HydrophobicContact CB-CD2 4.35Å; L595-Y599 HydrophobicContact CB-CE2 4.45Å; L595-Y599 HydrophobicContact CD2-CD2 4.48Å; L595-Y599 HydrophobicContact CD2-CE2 3.97Å; L595-Y599 VanDerWaalsContact O-CD2 3.26Å; L595-Y599 WeakPolarHBondContact O-CD2 3.04Å; L595-Y599 PolarHBondContact O-N 3.35Å; V596-Y599 PolarHBondContact O-N 3.04Å; Y599-I601 PolarHBondContact O-N 3.15Å; Y599-M602 PolarHBondContact O-N 3.22Å; Y599-I603 WeakPolarHBondContact O-CB 3.44Å; Y599-I603 WeakPolarHBondContact O-CD1 3.29Å; Y599-I603 WeakPolarHBondContact O-CG1 3.03Å; Y599-I603 PolarHBondContact O-N 3.11Å
600	A	74.9	Confident	70.1	Confident	57 Å²	57	94 Å²	94	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-61.3	-42.2	175.4	0	0	0	0	0	112.2	V596 P597 I603 L604	V596-A600 WeakPolarHBondContact O-CB 3.06Å; V596-A600 PolarHBondContact O-N 3.26Å; P597-A600 PolarHBondContact O-N 3.4Å; A600-I603 PolarHBondContact O-N 3.21Å; A600-L604 WeakPolarHBondContact O-CB 3.41Å; A600-L604 PolarHBondContact O-N 3.2Å
601	I	78.7	Confident	72.2	Confident	99 Å²	99	88.6 Å²	88.6	51%	0.508	51%	0.513	S	S	.	.	H	α-helix	trans	-65.1	-44.2	175.3	-68.6	163.4	0	0	0	110.9	P597 A598 Y599 I603 L604 L605	P597-I601 WeakPolarHBondContact O-CD1 3.17Å; P597-I601 VanDerWaalsContact O-CG1 3.26Å; P597-I601 WeakPolarHBondContact O-CG1 3.26Å; P597-I601 PolarHBondContact O-N 2.91Å; A598-I601 PolarHBondContact O-N 3.16Å; Y599-I601 PolarHBondContact O-N 3.15Å; I601-I603 PolarHBondContact O-N 3.42Å; I601-L604 PolarHBondContact O-N 3.28Å; I601-L605 HydrophobicContact CG2-CD1 4.01Å; I601-L605 HydrophobicContact CG2-CG 4.42Å; I601-L605 WeakPolarHBondContact O-CG 3.2Å; I601-L605 PolarHBondContact O-N 3.08Å
602	M	79.4	Confident	74.4	Confident	124 Å²	124	90 Å²	90	61%	0.611	52%	0.515	S	S	*	.	H	α-helix	trans	-64.3	-39.3	177.6	-72	-61.4	-66	0	0	112.7	A598 Y599 L605 F606	A598-M602 WeakPolarHBondContact O-CG 3.24Å; A598-M602 PolarHBondContact O-N 3.36Å; Y599-M602 PolarHBondContact O-N 3.22Å; M602-L605 HydrophobicContact SD-CD1 4.48Å; M602-F606 WeakPolarHBondContact O-CB 3.47Å; M602-F606 PolarHBondContact O-N 3.33Å
603	I	81.7	Confident	76.2	Confident	101 Å²	101	90.5 Å²	90.5	52%	0.518	51%	0.514	S	S	.	.	H	α-helix	trans	-65.2	-42.6	173.8	-69.1	164	0	0	0	110.4	Y599 A600 I601 F606 L607	Y599-I603 WeakPolarHBondContact O-CB 3.44Å; Y599-I603 WeakPolarHBondContact O-CD1 3.29Å; Y599-I603 WeakPolarHBondContact O-CG1 3.03Å; Y599-I603 PolarHBondContact O-N 3.11Å; A600-I603 PolarHBondContact O-N 3.21Å; I601-I603 PolarHBondContact O-N 3.42Å; I603-F606 PolarHBondContact O-N 2.85Å; I603-L607 HydrophobicContact CG2-CD1 4.01Å; I603-L607 HydrophobicContact CG2-CG 4.41Å; I603-L607 WeakPolarHBondContact O-CB 3.35Å; I603-L607 WeakPolarHBondContact O-CG 3.47Å; I603-L607 PolarHBondContact O-N 3.31Å
604	L	86.1	Confident	77.7	Confident	103 Å²	103	91.7 Å²	91.7	54%	0.539	52%	0.515	S	S	.	.	H	α-helix	trans	-62.2	-45.7	177.1	-176.3	65	0	0	0	111.8	A600 I601 F606 L607 I608	A600-L604 WeakPolarHBondContact O-CB 3.41Å; A600-L604 PolarHBondContact O-N 3.2Å; I601-L604 PolarHBondContact O-N 3.28Å; L604-F606 VanDerWaalsContact C-N 3.33Å; L604-F606 PolarHBondContact O-N 3.02Å; L604-L607 PolarHBondContact O-N 3.04Å; L604-I608 HydrophobicContact CD1-CD1 4.44Å; L604-I608 HydrophobicContact CG-CD1 4.06Å; L604-I608 VanDerWaalsContact O-CG1 3.28Å; L604-I608 WeakPolarHBondContact O-CG1 3.48Å; L604-I608 PolarHBondContact O-N 2.74Å
605	L	85.4	Confident	79.2	Confident	99 Å²	99	90.4 Å²	90.4	52%	0.518	51%	0.507	S	S	.	.	H	α-helix	trans	-62.1	-39.3	175.7	-70.9	171.9	0	0	0	112	I601 M602 I608 A609	I601-L605 HydrophobicContact CG2-CD1 4.01Å; I601-L605 HydrophobicContact CG2-CG 4.42Å; I601-L605 WeakPolarHBondContact O-CG 3.2Å; I601-L605 PolarHBondContact O-N 3.08Å; M602-L605 HydrophobicContact SD-CD1 4.48Å; L605-I608 PolarHBondContact O-N 3.16Å; L605-A609 WeakPolarHBondContact O-CB 3.44Å; L605-A609 PolarHBondContact O-N 2.97Å
606	F	87.8	Confident	80.3	Confident	137 Å²	137	92.4 Å²	92.4	60%	0.601	51%	0.511	S	S	*	.	H	α-helix	trans	-66.3	-41.4	175.4	-173.3	-110.6	0	0	0	112.4	M602 I603 L604 A609 I610	M602-F606 WeakPolarHBondContact O-CB 3.47Å; M602-F606 PolarHBondContact O-N 3.33Å; I603-F606 PolarHBondContact O-N 2.85Å; L604-F606 VanDerWaalsContact C-N 3.33Å; L604-F606 PolarHBondContact O-N 3.02Å; F606-A609 PolarHBondContact O-N 2.88Å; F606-I610 HydrophobicContact CD1-CD1 3.81Å; F606-I610 HydrophobicContact CE1-CD1 3.46Å; F606-I610 VanDerWaalsContact CE1-CD1 3.46Å; F606-I610 HydrophobicContact CE1-CG1 4.45Å; F606-I610 HydrophobicContact CZ-CD1 3.9Å; F606-I610 WeakPolarHBondContact O-CG1 3.24Å; F606-I610 PolarHBondContact O-N 3.11Å
607	L	87.6	Confident	81.4	Confident	98 Å²	98	93.7 Å²	93.7	51%	0.513	51%	0.509	S	S	.	.	H	α-helix	trans	-65.2	-38.8	174.4	-71.4	172.4	0	0	0	112.2	I603 L604 I610 A611	I603-L607 HydrophobicContact CG2-CD1 4.01Å; I603-L607 HydrophobicContact CG2-CG 4.41Å; I603-L607 WeakPolarHBondContact O-CB 3.35Å; I603-L607 WeakPolarHBondContact O-CG 3.47Å; I603-L607 PolarHBondContact O-N 3.31Å; L604-L607 PolarHBondContact O-N 3.04Å; L607-I610 PolarHBondContact O-N 3.14Å; L607-A611 WeakPolarHBondContact O-CB 3.38Å; L607-A611 PolarHBondContact O-N 3.44Å
608	I	88.9	Confident	82.2	Confident	86 Å²	86	94.9 Å²	94.9	44%	0.441	51%	0.512	S	S	.	.	H	α-helix	trans	-62.9	-44.2	172.8	-69.4	164.5	0	0	0	110.4	L604 L605 I610 A611 V612	L604-I608 HydrophobicContact CD1-CD1 4.44Å; L604-I608 HydrophobicContact CG-CD1 4.06Å; L604-I608 VanDerWaalsContact O-CG1 3.28Å; L604-I608 WeakPolarHBondContact O-CG1 3.48Å; L604-I608 PolarHBondContact O-N 2.74Å; L605-I608 PolarHBondContact O-N 3.16Å; I608-I610 PolarHBondContact O-N 3.18Å; I608-A611 PolarHBondContact O-N 3.11Å; I608-V612 HydrophobicContact CG2-CG2 4.4Å; I608-V612 WeakPolarHBondContact O-CG2 3.34Å; I608-V612 PolarHBondContact O-N 2.89Å
609	A	86.8	Confident	82.5	Confident	56 Å²	56	101.2 Å²	101.2	46%	0.463	53%	0.525	S	S	.	.	H	α-helix	trans	-60.9	-42	176.2	0	0	0	0	0	112.2	L605 F606 V612 A613	L605-A609 WeakPolarHBondContact O-CB 3.44Å; L605-A609 PolarHBondContact O-N 2.97Å; F606-A609 PolarHBondContact O-N 2.88Å; A609-V612 PolarHBondContact O-N 3.11Å; A609-A613 VanDerWaalsContact O-CB 3.31Å; A609-A613 WeakPolarHBondContact O-CB 3.45Å; A609-A613 PolarHBondContact O-N 3.01Å
610	I	88.1	Confident	82.5	Confident	73 Å²	73	101.8 Å²	101.8	37%	0.374	53%	0.526	S	S	.	.	H	α-helix	trans	-63.4	-42.8	173.5	-70.3	170.2	0	0	0	111.2	F606 L607 I608 A613 M614	F606-I610 HydrophobicContact CD1-CD1 3.81Å; F606-I610 HydrophobicContact CE1-CD1 3.46Å; F606-I610 VanDerWaalsContact CE1-CD1 3.46Å; F606-I610 HydrophobicContact CE1-CG1 4.45Å; F606-I610 HydrophobicContact CZ-CD1 3.9Å; F606-I610 WeakPolarHBondContact O-CG1 3.24Å; F606-I610 PolarHBondContact O-N 3.11Å; L607-I610 PolarHBondContact O-N 3.14Å; I608-I610 PolarHBondContact O-N 3.18Å; I610-A613 PolarHBondContact O-N 3.44Å; I610-M614 HydrophobicContact CG2-CG 4.4Å; I610-M614 WeakPolarHBondContact O-CB 3.41Å; I610-M614 WeakPolarHBondContact O-CG 3.22Å; I610-M614 PolarHBondContact O-N 3.03Å
611	A	86.4	Confident	82.3	Confident	53 Å²	53	107 Å²	107	44%	0.438	53%	0.533	S	S	.	.	H	α-helix	trans	-63.9	-42.7	177.9	0	0	0	0	0	111.9	L607 I608 M614 V615	L607-A611 WeakPolarHBondContact O-CB 3.38Å; L607-A611 PolarHBondContact O-N 3.44Å; I608-A611 PolarHBondContact O-N 3.11Å; A611-M614 WeakPolarHBondContact O-CB 3.5Å; A611-M614 PolarHBondContact O-N 2.89Å; A611-V615 WeakPolarHBondContact O-CG2 3.44Å; A611-V615 PolarHBondContact O-N 2.61Å
612	V	86.8	Confident	81.3	Confident	94 Å²	94	111.7 Å²	111.7	57%	0.57	55%	0.545	S	S	*	.	H	α-helix	trans	-64	-43	174.4	172.4	0	0	0	0	110.9	I608 A609 V615 F616	I608-V612 HydrophobicContact CG2-CG2 4.4Å; I608-V612 WeakPolarHBondContact O-CG2 3.34Å; I608-V612 PolarHBondContact O-N 2.89Å; A609-V612 PolarHBondContact O-N 3.11Å; V612-V615 PolarHBondContact O-N 3.04Å; V612-F616 WeakPolarHBondContact O-CB 3.18Å; V612-F616 PolarHBondContact O-N 3.23Å
613	A	82.5	Confident	80.3	Confident	59 Å²	59	108.8 Å²	108.8	49%	0.488	54%	0.54	S	S	.	.	H	α-helix	trans	-63.4	-41.3	175.6	0	0	0	0	0	112.4	A609 I610 F616 F617	A609-A613 VanDerWaalsContact O-CB 3.31Å; A609-A613 WeakPolarHBondContact O-CB 3.45Å; A609-A613 PolarHBondContact O-N 3.01Å; I610-A613 PolarHBondContact O-N 3.44Å; A613-F616 PolarHBondContact O-N 2.88Å; A613-F617 VanDerWaalsContact O-CB 3.26Å; A613-F617 WeakPolarHBondContact O-CB 3.02Å; A613-F617 PolarHBondContact O-N 3.12Å
614	M	86.1	Confident	78.9	Confident	117 Å²	117	111.8 Å²	111.8	58%	0.576	55%	0.55	S	S	*	.	H	α-helix	trans	-60.4	-47.7	171.9	-82.6	-94.9	-164.6	0	0	111.6	I610 A611 F616 F617 L618	I610-M614 HydrophobicContact CG2-CG 4.4Å; I610-M614 WeakPolarHBondContact O-CB 3.41Å; I610-M614 WeakPolarHBondContact O-CG 3.22Å; I610-M614 PolarHBondContact O-N 3.03Å; A611-M614 WeakPolarHBondContact O-CB 3.5Å; A611-M614 PolarHBondContact O-N 2.89Å; M614-F616 VanDerWaalsContact C-N 3.34Å; M614-F616 PolarHBondContact O-N 2.94Å; M614-F617 PolarHBondContact O-N 3.14Å; M614-L618 WeakPolarHBondContact O-CB 3.4Å; M614-L618 VanDerWaalsContact O-CG 3.24Å; M614-L618 WeakPolarHBondContact O-CG 3.44Å; M614-L618 PolarHBondContact O-N 3.47Å
615	V	83.9	Confident	77	Confident	76 Å²	76	112.2 Å²	112.2	46%	0.461	56%	0.557	S	S	.	*	H	α-helix	trans	-62.9	-41.6	177.3	169.4	0	0	0	0	110.9	A611 V612 L618 R619	A611-V615 WeakPolarHBondContact O-CG2 3.44Å; A611-V615 PolarHBondContact O-N 2.61Å; V612-V615 PolarHBondContact O-N 3.04Å; V615-L618 PolarHBondContact O-N 3.2Å; V615-R619 HydrophobicContact CG1-CG 4.47Å; V615-R619 WeakPolarHBondContact O-CB 3.33Å; V615-R619 VanDerWaalsContact O-CG 3.31Å; V615-R619 WeakPolarHBondContact O-CG 3.47Å; V615-R619 PolarHBondContact O-N 3.44Å
616	F	79.4	Confident	75	Confident	139 Å²	139	115.5 Å²	115.5	61%	0.61	57%	0.569	S	S	*	*	H	α-helix	trans	-65.8	-42.4	176.5	-162.1	-93.3	0	0	0	111.6	V612 A613 M614 R619 R620	V612-F616 WeakPolarHBondContact O-CB 3.18Å; V612-F616 PolarHBondContact O-N 3.23Å; A613-F616 PolarHBondContact O-N 2.88Å; M614-F616 VanDerWaalsContact C-N 3.34Å; M614-F616 PolarHBondContact O-N 2.94Å; F616-R619 PolarHBondContact O-N 3.4Å; F616-R620 VanDerWaalsContact O-CB 3.25Å; F616-R620 WeakPolarHBondContact O-CB 3.24Å; F616-R620 PolarHBondContact O-N 3Å
617	F	81.1	Confident	72.8	Confident	129 Å²	129	116.4 Å²	116.4	57%	0.566	58%	0.58	S	S	*	*	H	α-helix	trans	-63.4	-43.6	174.9	-176.5	-98.4	0	0	0	112	A613 M614 R620 R621	A613-F617 VanDerWaalsContact O-CB 3.26Å; A613-F617 WeakPolarHBondContact O-CB 3.02Å; A613-F617 PolarHBondContact O-N 3.12Å; M614-F617 PolarHBondContact O-N 3.14Å; F617-R620 PolarHBondContact O-N 2.98Å; F617-R621 VanDerWaalsContact O-CB 3.29Å; F617-R621 WeakPolarHBondContact O-CB 3.46Å; F617-R621 PolarHBondContact O-N 2.04Å
618	L	75.9	Confident	70.3	Confident	89 Å²	89	119.1 Å²	119.1	47%	0.466	60%	0.595	S	S	.	*	H	α-helix	trans	-67.3	-39.4	176.8	-71.4	170.5	0	0	0	112.2	M614 V615 R621 R622	M614-L618 WeakPolarHBondContact O-CB 3.4Å; M614-L618 VanDerWaalsContact O-CG 3.24Å; M614-L618 WeakPolarHBondContact O-CG 3.44Å; M614-L618 PolarHBondContact O-N 3.47Å; V615-L618 PolarHBondContact O-N 3.2Å; L618-R621 PolarHBondContact O-N 2.68Å; L618-R622 WeakPolarHBondContact O-CG 3.44Å; L618-R622 PolarHBondContact O-N 3.07Å
619	R	73.3	Confident	67.9	Low	182 Å²	182	122.4 Å²	122.4	69%	0.687	61%	0.612	S	S	*	*	H	α-helix	trans	-62.9	-45.4	171.2	-76.2	-179.4	180	-160.6	1	111.3	V615 F616 R621 R622 A623	V615-R619 HydrophobicContact CG1-CG 4.47Å; V615-R619 WeakPolarHBondContact O-CB 3.33Å; V615-R619 VanDerWaalsContact O-CG 3.31Å; V615-R619 WeakPolarHBondContact O-CG 3.47Å; V615-R619 PolarHBondContact O-N 3.44Å; F616-R619 PolarHBondContact O-N 3.4Å; R619-R621 VanDerWaalsContact C-N 3.31Å; R619-R621 PolarHBondContact O-N 2.91Å; R619-R622 PolarHBondContact O-N 2.82Å; R619-A623 WeakPolarHBondContact O-CB 3.33Å; R619-A623 PolarHBondContact O-N 2.89Å
620	R	72.1	Confident	65.2	Low	167 Å²	167	126.8 Å²	126.8	63%	0.63	63%	0.628	S	S	*	*	H	α-helix	trans	-66.2	-31.9	177.4	-161.3	175.3	-168.8	-173.2	3.9	112.4	F616 F617 K624	F616-R620 VanDerWaalsContact O-CB 3.25Å; F616-R620 WeakPolarHBondContact O-CB 3.24Å; F616-R620 PolarHBondContact O-N 3Å; F617-R620 PolarHBondContact O-N 2.98Å; R620-K624 PolarHBondContact O-N 2.98Å; R620-K624 VanDerWaalsContact O-N 3.1Å
621	R	69.4	Low	62.3	Low	165 Å²	165	129.5 Å²	129.5	62%	0.623	65%	0.652	S	S	*	*	H	α-helix	trans	-70.6	-43.7	172.8	-167.4	174.9	-177.2	-177	1	111.5	F617 L618 R619 A623 K624 T625	F617-R621 VanDerWaalsContact O-CB 3.29Å; F617-R621 WeakPolarHBondContact O-CB 3.46Å; F617-R621 PolarHBondContact O-N 2.04Å; L618-R621 PolarHBondContact O-N 2.68Å; R619-R621 VanDerWaalsContact C-N 3.31Å; R619-R621 PolarHBondContact O-N 2.91Å; R621-A623 VanDerWaalsContact C-N 3.35Å; R621-A623 PolarHBondContact O-N 2.93Å; R621-K624 PolarHBondContact O-N 2.82Å; R621-T625 PolarHBondContact O-N 3.15Å; R621-T625 VanDerWaalsContact O-N 3.12Å; R621-T625 PolarHBondContact O-OG1 3.5Å
622	R	59.8	Low	59.6	Low	198 Å²	198	135.5 Å²	135.5	75%	0.747	67%	0.671	S	S	*	*	H	α-helix	trans	-61.6	-39.9	173.1	-75.5	-179.9	-178.6	178.3	1.1	112.5	L618 R619 K624 T625	L618-R622 WeakPolarHBondContact O-CG 3.44Å; L618-R622 PolarHBondContact O-N 3.07Å; R619-R622 PolarHBondContact O-N 2.82Å; R622-K624 VanDerWaalsContact C-N 3.33Å; R622-T625 WeakPolarHBondContact CA-OG1 3.02Å; R622-T625 PolarHBondContact O-N 3.05Å; R622-T625 PolarHBondContact O-OG1 3.33Å
623	A	56.9	Low	57.6	Low	63 Å²	63	135.7 Å²	135.7	52%	0.521	67%	0.674	S	S	.	*	H	α-helix	trans	-65.5	-34	174.6	0	0	0	0	0	112.8	R619 R621	R619-A623 WeakPolarHBondContact O-CB 3.33Å; R619-A623 PolarHBondContact O-N 2.89Å; R621-A623 VanDerWaalsContact C-N 3.35Å; R621-A623 PolarHBondContact O-N 2.93Å
624	K	53.4	Low	55	Low	164 Å²	164	137.7 Å²	137.7	71%	0.713	69%	0.685	S	S	*	*	H	α-helix	trans	-76.8	-18.6	175.2	-81.2	-167.7	169.8	-163.2	0	114.8	R620 R621 R622 H626	R620-K624 PolarHBondContact O-N 2.98Å; R620-K624 VanDerWaalsContact O-N 3.1Å; R621-K624 PolarHBondContact O-N 2.82Å; R622-K624 VanDerWaalsContact C-N 3.33Å; K624-H626 VanDerWaalsContact C-N 3.34Å
625	T	45	Very low	52.4	Low	113 Å²	113	140.2 Å²	140.2	69%	0.693	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	2	176	42.7	0	0	0	0	114.2	R621 R622	R621-T625 PolarHBondContact O-N 3.15Å; R621-T625 VanDerWaalsContact O-N 3.12Å; R621-T625 PolarHBondContact O-OG1 3.5Å; R622-T625 WeakPolarHBondContact CA-OG1 3.02Å; R622-T625 PolarHBondContact O-N 3.05Å; R622-T625 PolarHBondContact O-OG1 3.33Å
626	H	44.1	Very low	50	Low	168 Å²	168	144 Å²	144	78%	0.778	71%	0.711	S	S	*	*	S	Bend	trans	-129.7	15.9	-173.5	-148.4	-62	0	0	0	113.4	K624	K624-H626 VanDerWaalsContact C-N 3.34Å
627	L	40.7	Very low	47.7	Very low	156 Å²	156	140.6 Å²	140.6	82%	0.817	72%	0.716	S	S	*	*	S	Bend	trans	-136.6	44	-174.5	-141.7	97.2	0	0	0	111.7
628	D	35.7	Very low	45.5	Very low	155 Å²	155	141.9 Å²	141.9	83%	0.829	73%	0.726	S	S	*	*			trans	-145.7	58.9	176.5	-145.1	10.2	0	0	0	109.3
629	L	38	Very low	43.5	Very low	154 Å²	154	144.6 Å²	144.6	81%	0.806	74%	0.741	S	S	*	*			trans	-153.7	137.7	162	-133.6	79.1	0	0	0	109.4
630	D	30.9	Very low	41.7	Very low	149 Å²	149	139 Å²	139	80%	0.797	74%	0.74	S	S	*	*			trans	75.2	113.3	165.7	-56.3	-26.5	0	0	0	121.9
631	C	27.1	Very low	39.9	Very low	129 Å²	129	137.3 Å²	137.3	87%	0.872	75%	0.748	S	S	*	*			trans	-35.5	159.5	168.2	-63.2	0	0	0	0	121.9
632	E	28.5	Very low	38.2	Very low	179 Å²	179	139.2 Å²	139.2	84%	0.836	76%	0.76	S	S	*	*			trans	-52.2	177.7	152.5	-107.7	-155	150.1	0	0	115
633	P	45.5	Very low	37	Very low	99 Å²	99	134.6 Å²	134.6	64%	0.643	77%	0.765	S	S	*	*			cis	-137.7	179.7	3.5	28.4	-4.8	0	0	0	116.8
634	S	28.9	Very low	35.8	Very low	101 Å²	101	134.5 Å²	134.5	71%	0.706	77%	0.77	S	S	*	*			trans	131.5	117.7	130.5	-54.2	0	0	0	0	119.5
635	Q	31.3	Very low	35	Very low	169 Å²	169	134.8 Å²	134.8	79%	0.79	78%	0.778	S	S	*	*			trans	65.9	126.1	130.7	-71.4	-168.6	-11.6	0	0	126
636	L	33.8	Very low	34.4	Very low	155 Å²	155	135 Å²	135	81%	0.812	78%	0.775	S	S	*	*				75.8	141.6	127.3	-74.7	165.9	0	0	0	124.6
637	G	30.3	Very low	33.9	Very low	68 Å²	68	134 Å²	134	70%	0.701	78%	0.775	S	S	*	*			trans	105.9	103.8	156.3	0	0	0	0	0	114.7
638	M	36	Very low	33.4	Very low	157 Å²	157	130.4 Å²	130.4	77%	0.773	78%	0.776	S	S	*	*				82.3	135.2	54.9	-72.2	-78.1	-69.9	0	0	115.6
639	D	33	Very low	33.2	Very low	146 Å²	146	127.5 Å²	127.5	78%	0.781	77%	0.774	S	S	*	*			trans	64.6	148.7	165.1	-53.5	-37.1	0	0	0	119.1
640	G	34.9	Very low	32.8	Very low	65 Å²	65	127.2 Å²	127.2	67%	0.67	77%	0.773	S	S	*	*			cis	-179.2	145.7	-8	0	0	0	0	0	114.8
641	V	33.8	Very low	32.6	Very low	131 Å²	131	128.4 Å²	128.4	79%	0.794	77%	0.771	S	S	*	*				63.9	113.3	126.2	-178.8	0	0	0	0	122.5
642	K	34.3	Very low	32.6	Very low	205 Å²	205	129.8 Å²	129.8	89%	0.891	76%	0.764	S	S	*	*			trans	53.1	160.9	142.2	-78.2	178.3	171.3	175.4	0	120.3
643	A	34.6	Very low	32.6	Very low	101 Å²	101	130.5 Å²	130.5	84%	0.835	77%	0.765	S	S	*	*			cis	-166	174	-13.4	0	0	0	0	0	106
644	G	31.1	Very low	31.8	Very low	61 Å²	61	133.1 Å²	133.1	63%	0.629	77%	0.768	S	S	*	*			cis	160.9	159.3	-2.2	0	0	0	0	0	110.4
645	L	36.7	Very low	32.2	Very low	170 Å²	170	134.4 Å²	134.4	89%	0.89	77%	0.774	S	S	*	*			trans	64.3	156	170.4	-61.2	121.3	0	0	0	116.9
646	D	33.2	Very low	32	Very low	118 Å²	118	133.8 Å²	133.8	63%	0.631	77%	0.771	S	S	*	*			cis	-157.5	160.7	13	-149.7	9.4	0	0	0	115.1
647	N	34.3	Very low	31.8	Very low	145 Å²	145	133.9 Å²	133.9	78%	0.775	77%	0.772	S	S	*	*			trans	34.8	145.9	150.2	-73.1	-39.8	0	0	0	126.2
648	G	30	Very low	31.4	Very low	82 Å²	82	138.7 Å²	138.7	85%	0.845	78%	0.778	S	S	*	*			trans	146.6	130.3	144.4	0	0	0	0	0	119.6
649	A	31	Very low	31	Very low	94 Å²	94	138.3 Å²	138.3	78%	0.777	78%	0.776	S	S	*	*			trans	-99.4	163.9	-165.3	0	0	0	0	0	119
650	L	29.2	Very low	31.2	Very low	148 Å²	148	137 Å²	137	78%	0.775	78%	0.776	S	S	*	*			trans	34.6	125.7	145.7	-78.7	161.6	0	0	0	122.3
651	F	26.7	Very low	30.9	Very low	173 Å²	173	142 Å²	142	76%	0.759	78%	0.781	S	S	*	*				174.8	165.3	104.4	-109.6	-80	0	0	0	114.6
652	H	28.5	Very low	31.4	Very low	158 Å²	158	141 Å²	141	73%	0.731	78%	0.777	S	S	*	*			trans	-3.7	153.3	156.5	-81.6	-25	0	0	0	120.3
653	K	27.7	Very low	31	Very low	195 Å²	195	137 Å²	137	85%	0.848	78%	0.776	S	S	*	*			cis	-171	164	46.7	-142.6	164.5	-172.5	178.3	0	113.2
654	Q	29	Very low	30.7	Very low	154 Å²	154	138.5 Å²	138.5	72%	0.72	77%	0.774	S	S	*	*			trans	-77.3	165.7	171	-156.8	178.1	13	0	0	112.3
655	P	37.4	Very low	30.6	Very low	128 Å²	128	144.8 Å²	144.8	83%	0.831	79%	0.787	S	S	*	*				-139.9	163.9	116.3	35.3	-21.5	0	0	0	115.7
656	Q	27.4	Very low	30.1	Very low	156 Å²	156	142.2 Å²	142.2	73%	0.729	78%	0.778	S	S	*	*			trans	-97.3	-176.2	177.3	-64.7	179.7	-47.9	0	0	112.6
657	L	27.8	Very low	29.7	Very low	157 Å²	157	141.9 Å²	141.9	82%	0.822	79%	0.786	S	S	*	*			trans	107.3	135.6	164.7	-65.7	157.3	0	0	0	113.5
658	M	23.6	Very low	29.3	Very low	168 Å²	168	140.9 Å²	140.9	83%	0.828	79%	0.79	S	S	*	*			cis	-158.5	155.8	-1.9	-158.8	166.4	168.1	0	0	110.2
659	M	27.6	Very low	29.2	Very low	149 Å²	149	144.3 Å²	144.3	73%	0.734	79%	0.786	S	S	*	*			trans	-80.9	159.9	167.2	-79.7	-74.7	-69.4	0	0	111.6
660	P	36.3	Very low	28.9	Very low	119 Å²	119	147.1 Å²	147.1	77%	0.773	78%	0.783	S	S	*	*				-140.2	150.6	114.8	37.4	-25.2	0	0	0	115.9
661	E	29	Very low	28.8	Very low	170 Å²	170	148.7 Å²	148.7	79%	0.794	78%	0.78	S	S	*	*			trans	-75.6	-178.1	158.5	-89.1	-169.7	152.9	0	0	111.2
662	P	44.7	Very low	28.8	Very low	109 Å²	109	148 Å²	148	71%	0.708	78%	0.779	S	S	*	*			cis	-137.9	177.4	9.1	41.4	-23.8	0	0	0	116.3
663	S	26.3	Very low	28.7	Very low	122 Å²	122	146.3 Å²	146.3	85%	0.853	78%	0.779	S	S	*	*				168.2	159.4	119.8	50.3	0	0	0	0	113.7
664	V	28.3	Very low	28.5	Very low	132 Å²	132	143.8 Å²	143.8	80%	0.8	77%	0.774	S	S	*	*			trans	-112.5	137.8	-168.2	171.2	0	0	0	0	110.6
665	Q	27.7	Very low	28.4	Very low	193 Å²	193	143.2 Å²	143.2	90%	0.902	78%	0.776	S	S	*	*			trans	-165.5	174	141.4	-112.1	167.3	20.3	0	0	114.2
666	T	26.2	Very low	27.9	Very low	116 Å²	116	144.8 Å²	144.8	71%	0.712	78%	0.775	S	S	*	*			trans	-116.2	154.3	-148	45.6	0	0	0	0	115.4
667	S	25.3	Very low	28	Very low	112 Å²	112	145 Å²	145	78%	0.783	78%	0.776	S	S	*	*			trans	59.9	125.2	148.4	63.7	0	0	0	0	120.8
668	S	25.4	Very low	28	Very low	124 Å²	124	144.3 Å²	144.3	87%	0.867	77%	0.774	S	S	*	*				164.9	148.5	128.8	-171.9	0	0	0	0	110.7
669	M	27.8	Very low	28.4	Very low	154 Å²	154	143 Å²	143	76%	0.759	77%	0.765	S	S	*	*			trans	-77.6	161.7	-166.1	-55.4	-171.8	-69.5	0	0	116.3
670	E	26	Very low	28.4	Very low	153 Å²	153	141.7 Å²	141.7	72%	0.715	77%	0.769	S	S	*	*				100.3	133.2	129.1	-97.4	171.5	-157.1	0	0	124
671	Y	26.6	Very low	28	Very low	181 Å²	181	140.2 Å²	140.2	71%	0.71	76%	0.762	S	S	*	*			trans	75.6	129.4	158.6	-83.8	-87	0	0	0	124.2
672	E	26.6	Very low	28	Very low	159 Å²	159	138.2 Å²	138.2	74%	0.743	77%	0.766	S	S	*	*			trans	15.4	145.4	152.4	-63.1	172.6	160.2	0	0	120.8
673	V	26.1	Very low	27.3	Very low	122 Å²	122	140.2 Å²	140.2	74%	0.739	77%	0.771	S	S	*	*				-168.2	150.2	71.7	157.5	0	0	0	0	113
674	L	24.4	Very low	27.5	Very low	142 Å²	142	142.3 Å²	142.3	74%	0.743	77%	0.773	S	S	*	*			trans	5.7	142.3	156.2	-59.8	166.7	0	0	0	123.9
675	L	26	Very low	27.7	Very low	142 Å²	142	143.8 Å²	143.8	74%	0.743	78%	0.776	S	S	*	*			trans	48.9	127.2	132.5	-60.4	168	0	0	0	121
676	I	26.6	Very low	27.8	Very low	161 Å²	161	143.4 Å²	143.4	83%	0.826	78%	0.777	S	S	*	*				-164.6	152.4	95.1	-96.7	163.6	0	0	0	110.5
677	Q	30.6	Very low	28.7	Very low	159 Å²	159	143 Å²	143	74%	0.743	78%	0.776	S	S	*	*			trans	-138.4	131.9	-175.5	172.3	-175.3	1	0	0	108.7
678	D	26.8	Very low	28.7	Very low	144 Å²	144	145.5 Å²	145.5	77%	0.77	78%	0.777	S	S	*	*			trans	-137.8	114.7	160.6	-90.6	-45.2	0	0	0	106.7
679	H	32.4	Very low	28.9	Very low	139 Å²	139	147.3 Å²	147.3	64%	0.644	77%	0.772	S	S	*	*				59.1	118.7	86.1	-84	69.3	0	0	0	112.2
680	C	27	Very low	29	Very low	122 Å²	122	149.1 Å²	149.1	82%	0.824	78%	0.775	S	S	*	*				-152.2	177.9	51.2	-71.3	0	0	0	0	111.8
681	S	28.4	Very low	29.3	Very low	88 Å²	88	147.8 Å²	147.8	62%	0.615	78%	0.78	S	S	*	*			cis	177.9	138.4	-31	-79.5	0	0	0	0	107
682	S	29.1	Very low	29.3	Very low	128 Å²	128	143.3 Å²	143.3	90%	0.895	78%	0.775	S	S	*	*			trans	-171.7	119.3	149.9	-85.2	0	0	0	0	111.5
683	N	30.1	Very low	29.5	Very low	152 Å²	152	145.6 Å²	145.6	81%	0.813	78%	0.778	S	S	*	*			trans	-89.4	153.6	174	-94.7	-24.3	0	0	0	110.9
684	N	30.3	Very low	29.8	Very low	165 Å²	165	153.2 Å²	153.2	88%	0.882	80%	0.802	S	S	*	*				-169.8	135.9	111.2	-93.4	-22.5	0	0	0	112.7
685	N	31.8	Very low	30	Very low	164 Å²	164	153.8 Å²	153.8	88%	0.877	81%	0.805	S	S	*	*			trans	-105.6	131.3	171	-97.9	-27	0	0	0	109.5
686	M	30.4	Very low	30.3	Very low	185 Å²	185	154.4 Å²	154.4	91%	0.911	81%	0.808	S	S	*	*				-161.4	150.5	128.9	-115.7	-130.8	163	0	0	111.7
687	P	45.8	Very low	30.5	Very low	107 Å²	107	154 Å²	154	70%	0.695	81%	0.807	S	S	*	*			trans	-97.9	127.7	-174.7	35.5	-29.6	0	0	0	112.4
688	M	25.5	Very low	30.5	Very low	164 Å²	164	153.7 Å²	153.7	81%	0.808	81%	0.811	S	S	*	*			trans	-147	130.9	161.4	-86.1	-167.3	74.2	0	0	112.1
689	H	28.5	Very low	30.7	Very low	162 Å²	162	154.3 Å²	154.3	75%	0.75	81%	0.814	S	S	*	*			trans	59.1	127.1	143.5	-74.4	-96.5	0	0	0	122.2
690	K	30.9	Very low	30.6	Very low	192 Å²	192	155.3 Å²	155.3	84%	0.835	83%	0.825	S	S	*	*			trans	-49	151.3	145.6	-61.1	178.1	174.4	-175.5	0	111.1
691	P	31.8	Very low	30.8	Very low	125 Å²	125	157.7 Å²	157.7	81%	0.812	83%	0.825	S	S	*	*			trans	-96.8	147.3	135.4	8.8	10	0	0	0	110.5
692	S	26.1	Very low	31	Very low	87 Å²	87	163.1 Å²	163.1	61%	0.608	84%	0.841	S	S	*	*			trans	-119.2	155.4	162.5	168.8	0	0	0	0	106.6
693	Y	31.6	Very low	31.2	Very low	207 Å²	207	166 Å²	166	81%	0.812	84%	0.837	S	S	*	*			trans	72.1	111.9	-174.3	-49.4	-75.3	0	0	0	112.9
694	F	31.2	Very low	31.3	Very low	282 Å²	282	167.3 Å²	167.3	100%	1.237	84%	0.839	S	S	*	*			cis	-100.1	0	28.7	-82.4	-98.2	0	0	0	115.9

Retrieved 694 of 694 residues in 130.8 ms (Link to these results)

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