A0A087Y095_POEFO Loading...

Death domain containing 1

AlphaFold DB , UniProt , Accession A0A087Y095, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 638 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	29.1	Very low	242 Å²	242	145.4 Å²	145.4	100%	1.192	84%	0.842	S	S	*	*				0	120.5	0	-75.9	164.6	71.9	0	0	108.2
2	S	29	Very low	29.1	Very low	115 Å²	115	150.3 Å²	150.3	80%	0.804	85%	0.847	S	S	*	*			trans	53.6	95.3	166.6	-159	0	0	0	0	117.8
3	A	27.3	Very low	28.8	Very low	102 Å²	102	151 Å²	151	84%	0.843	85%	0.845	S	S	*	*				61.9	127.1	79.6	0	0	0	0	0	112.9
4	G	25.9	Very low	28.6	Very low	76 Å²	76	147.1 Å²	147.1	78%	0.784	84%	0.842	S	S	*	*			cis	-153.4	-168.3	0	0	0	0	0	0	106.8
5	S	27.3	Very low	28.6	Very low	115 Å²	115	149.3 Å²	149.3	80%	0.804	85%	0.849	S	S	*	*			cis	-170.8	148.3	5	49.1	0	0	0	0	105.9
6	H	27.8	Very low	28.5	Very low	166 Å²	166	152.1 Å²	152.1	77%	0.769	85%	0.848	S	S	*	*			trans	-42.3	147.6	176.8	-69	-78.1	0	0	0	116.6
7	P	30	Very low	28.5	Very low	113 Å²	113	149.6 Å²	149.6	73%	0.734	84%	0.844	S	S	*	*			trans	-107.6	82.8	155.8	35.2	-24.6	0	0	0	111.2	T9	P7-T9 PolarHBondContact O-N 3.27Å
8	Y	29.5	Very low	28.2	Very low	217 Å²	217	152.7 Å²	152.7	85%	0.851	85%	0.847	S	S	*	*			trans	-83.2	62	152.7	-89.4	-84	0	0	0	108.9
9	T	34	Very low	28	Very low	128 Å²	128	154.9 Å²	154.9	79%	0.785	85%	0.847	S	S	*	*			trans	-161.1	51.4	174.6	-26.3	0	0	0	0	114	P7	P7-T9 PolarHBondContact O-N 3.27Å
10	L	28.2	Very low	27.7	Very low	146 Å²	146	152.5 Å²	152.5	76%	0.764	84%	0.837	S	S	*	*			trans	-146.3	34.5	172	-101.4	170.1	0	0	0	114.1
11	L	28.3	Very low	27.4	Very low	179 Å²	179	152.5 Å²	152.5	94%	0.937	84%	0.835	S	S	*	*	S	Bend	trans	-105.7	18.1	172.1	-143.2	87	0	0	0	114.1
12	K	28.3	Very low	26.9	Very low	205 Å²	205	147.3 Å²	147.3	89%	0.891	81%	0.811	S	S	*	*	S	Bend	trans	-129.5	12.4	-180	-100	-176.9	179.3	177.6	0	116.2
13	L	26.3	Very low	26.6	Very low	159 Å²	159	147.3 Å²	147.3	83%	0.832	81%	0.812	S	S	*	*	S	Bend	trans	-144	63.1	179.6	-101.2	131.4	0	0	0	112
14	A	26.1	Very low	26.4	Very low	97 Å²	97	147 Å²	147	80%	0.802	80%	0.799	S	S	*	*			trans	-152.7	37.2	167.4	0	0	0	0	0	112.8
15	L	27.4	Very low	26.4	Very low	180 Å²	180	155.3 Å²	155.3	94%	0.942	81%	0.807	S	S	*	*	S	Bend	trans	-124.3	26.2	173.2	-100.8	161.9	0	0	0	112.4
16	K	27	Very low	26.2	Very low	193 Å²	193	154.3 Å²	154.3	84%	0.839	80%	0.799	S	S	*	*	S	Bend	trans	-126.4	130.8	165.9	-82.9	-179.2	175.7	177.6	0	107.9
17	S	28.4	Very low	25.9	Very low	110 Å²	110	152.8 Å²	152.8	77%	0.769	80%	0.801	S	S	*	*			trans	89.9	68.8	169	-41.9	0	0	0	0	116.5
18	F	23.6	Very low	25.9	Very low	206 Å²	206	151.3 Å²	151.3	90%	0.904	80%	0.798	S	S	*	*			trans	-119.3	94.5	142.8	-104	-88.9	0	0	0	108.9	V20	F18-V20 HydrophobicContact CD1-CG2 4.11Å
19	K	23.7	Very low	26.1	Very low	194 Å²	194	151 Å²	151	84%	0.843	80%	0.801	S	S	*	*			trans	-99.1	87.6	173.7	-159.2	-178.7	-169.8	-178.3	0	106	L21	K19-L21 PolarHBondContact O-N 2.78Å
20	V	22	Very low	25.8	Very low	107 Å²	107	149 Å²	149	65%	0.648	79%	0.793	S	S	*	*			trans	-87.5	100.6	170.4	179.1	0	0	0	0	107.4	F18 L22	F18-V20 HydrophobicContact CD1-CG2 4.11Å; V20-L22 HydrophobicContact CG1-CD1 3.43Å; V20-L22 VanDerWaalsContact CG1-CD1 3.43Å
21	L	22.8	Very low	25.7	Very low	152 Å²	152	147.8 Å²	147.8	80%	0.796	79%	0.786	S	S	*	*			trans	-88.7	102.7	170.3	-163.2	90.7	0	0	0	106.9	K19	K19-L21 PolarHBondContact O-N 2.78Å
22	L	21.2	Very low	25.5	Very low	133 Å²	133	148 Å²	148	70%	0.696	78%	0.78	S	S	*	*			trans	-105.5	109.6	164.1	-103.1	96.1	0	0	0	109.1	V20 V24	V20-L22 HydrophobicContact CG1-CD1 3.43Å; V20-L22 VanDerWaalsContact CG1-CD1 3.43Å; L22-V24 HydrophobicContact CB-CG2 4.26Å; L22-V24 HydrophobicContact CD2-CG2 3.81Å; L22-V24 HydrophobicContact CG-CG2 4.48Å
23	S	23.6	Very low	25.4	Very low	116 Å²	116	143.3 Å²	143.3	81%	0.811	77%	0.773	S	S	*	*			trans	-84	114.6	161.7	172.2	0	0	0	0	107.1
24	V	23	Very low	25.2	Very low	95 Å²	95	141.2 Å²	141.2	58%	0.576	77%	0.77	S	S	*	*			trans	-133.1	117	176	-177	0	0	0	0	108.9	L22 C26	L22-V24 HydrophobicContact CB-CG2 4.26Å; L22-V24 HydrophobicContact CD2-CG2 3.81Å; L22-V24 HydrophobicContact CG-CG2 4.48Å; V24-C26 PolarHBondContact O-N 2.85Å
25	R	25.5	Very low	25.5	Very low	251 Å²	251	143.3 Å²	143.3	95%	0.947	77%	0.772	S	S	*	*			trans	-66.6	120	160.8	-78.6	177.1	170.7	171.4	-3.1	107.2
26	C	23.1	Very low	25.7	Very low	94 Å²	94	142.3 Å²	142.3	64%	0.635	77%	0.767	S	S	*	*			trans	-126.6	113.1	179.4	-128.4	0	0	0	0	111.5	V24	V24-C26 PolarHBondContact O-N 2.85Å
27	V	21.9	Very low	26.1	Very low	133 Å²	133	140.5 Å²	140.5	81%	0.806	76%	0.759	S	S	*	*			trans	-63	146	143.2	171.4	0	0	0	0	107.5
28	A	29.6	Very low	26.8	Very low	83 Å²	83	137.3 Å²	137.3	69%	0.686	74%	0.736	S	S	*	*	S	Bend	trans	-5.5	136.9	172.9	0	0	0	0	0	119.4
29	K	34.6	Very low	27.9	Very low	211 Å²	211	131.4 Å²	131.4	92%	0.917	72%	0.716	S	S	*	*			trans	59.6	104.4	164	-67.1	178.5	176.6	177.8	0	115.6
30	S	26.7	Very low	29.2	Very low	86 Å²	86	124.5 Å²	124.5	60%	0.601	69%	0.689	S	S	*	*			trans	-149.1	130.8	154.1	-176.9	0	0	0	0	113
31	L	27.5	Very low	30.3	Very low	119 Å²	119	125.9 Å²	125.9	62%	0.623	68%	0.682	S	S	*	*			trans	-66.5	149.6	173.3	-68.4	94.4	0	0	0	112.6
32	F	24.3	Very low	31.4	Very low	184 Å²	184	121.1 Å²	121.1	81%	0.807	66%	0.657	S	S	*	*			trans	-143.5	136.8	146.3	-77.7	-77.7	0	0	0	111.2
33	S	25.1	Very low	32.3	Very low	107 Å²	107	119.4 Å²	119.4	75%	0.748	65%	0.652	S	S	*	*			trans	-115.3	124.3	171.8	164.4	0	0	0	0	108
34	C	22.4	Very low	32.8	Very low	114 Å²	114	115 Å²	115	77%	0.77	63%	0.626	S	S	*	*			trans	-162.2	127.1	156	-107.9	0	0	0	0	109.7	L36	C34-L36 PolarHBondContact O-N 3.03Å
35	V	32.2	Very low	33.2	Very low	141 Å²	141	120.5 Å²	120.5	86%	0.855	65%	0.645	S	S	*	*	S	Bend	trans	-71.6	94	177.4	176.9	0	0	0	0	109.1
36	L	32.4	Very low	33.5	Very low	159 Å²	159	112.1 Å²	112.1	83%	0.832	62%	0.622	S	S	*	*	S	Bend	trans	177	113.8	149.1	-121.2	88.7	0	0	0	107.3	C34	C34-L36 PolarHBondContact O-N 3.03Å
37	K	34.2	Very low	33.8	Very low	155 Å²	155	116.2 Å²	116.2	67%	0.674	64%	0.637	S	S	*	*			trans	39.5	83	176.5	-68.8	179.3	-179.3	172.9	0	114.7	T39	K37-T39 PolarHBondContact O-N 3.14Å; K37-T39 VanDerWaalsContact O-N 3.15Å
38	T	42.6	Very low	34.6	Very low	44 Å²	44	115.5 Å²	115.5	27%	0.27	62%	0.623	S	S	.	*			trans	-64	116.2	174.3	-39.3	0	0	0	0	109.9	L40 G60	T38-L40 HydrophobicContact CG2-CD1 4.09Å; T38-L40 HydrophobicContact CG2-CG 4.42Å; T38-G60 PolarHBondContact OG1-O 3.24Å
39	T	47.9	Very low	35	Very low	81 Å²	81	115 Å²	115	50%	0.497	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.6	108.5	168.6	-56.7	0	0	0	0	107.7	K37 F54 V55	K37-T39 PolarHBondContact O-N 3.14Å; K37-T39 VanDerWaalsContact O-N 3.15Å; T39-F54 HydrophobicContact CG2-CD1 4.19Å; T39-V55 WeakPolarHBondContact CA-O 2.84Å
40	L	49.8	Very low	35.7	Very low	50 Å²	50	108.4 Å²	108.4	26%	0.262	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.6	136	173.1	-80.5	126.4	0	0	0	110.3	T38 V55 L62	T38-L40 HydrophobicContact CG2-CD1 4.09Å; T38-L40 HydrophobicContact CG2-CG 4.42Å; L40-V55 PolarHBondContact N-O 2.85Å; L40-V55 VanDerWaalsContact N-O 3.16Å; L40-V55 PolarHBondContact O-N 3.31Å; L40-L62 HydrophobicContact CD1-CB 3.81Å; L40-L62 WeakPolarHBondContact CD1-O 3.35Å
41	R	46.2	Very low	37.4	Very low	136 Å²	136	106.6 Å²	106.6	51%	0.513	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.2	120.7	176.3	-172.5	-176.1	-177.5	-177.6	-0.9	108.8	A52 F54	R41-A52 HydrophobicContact CG-CB 3.87Å; R41-F54 HydrophobicContact CG-CE1 4.37Å
42	L	45.8	Very low	39.3	Very low	51 Å²	51	101 Å²	101	27%	0.267	55%	0.551	S	S	.	*			trans	-96.8	150.6	164.1	-78.2	172.8	0	0	0	109.6	A52 C64	L42-A52 WeakPolarHBondContact O-CA 3.12Å; L42-A52 WeakPolarHBondContact O-CB 3.37Å; L42-C64 HydrophobicContact CD1-CB 3.94Å; L42-C64 WeakPolarHBondContact CD1-O 3.34Å; L42-C64 WeakPolarHBondContact CD1-SG 3.44Å; L42-C64 WeakPolarHBondContact CD2-O 3.3Å; L42-C64 HydrophobicContact CG-CB 4.27Å
43	T	40.6	Very low	41.7	Very low	98 Å²	98	92.3 Å²	92.3	60%	0.601	51%	0.513	S	S	*	.			trans	-132.2	127.1	168.8	48.2	0	0	0	0	108	A52	T43-A52 HydrophobicContact CG2-CB 4.25Å
44	G	33.7	Very low	44.3	Very low	24 Å²	24	88.3 Å²	88.3	25%	0.247	48%	0.482	C	S	.	.			trans	-71.4	154.9	175.8	0	0	0	0	0	112.6	T46	G44-T46 PolarHBondContact O-N 3.03Å
45	E	30.3	Very low	47	Very low	209 Å²	209	82.9 Å²	82.9	98%	0.977	45%	0.446	S	S	*	.	S	Bend	trans	-63.7	7.4	-177.7	-80.6	-178.4	149.2	0	0	116.2
46	T	32.1	Very low	49.3	Very low	76 Å²	76	82.3 Å²	82.3	47%	0.466	43%	0.428	S	S	.	.	S	Bend	trans	-102.6	130.7	173.9	48.2	0	0	0	0	109.4	G44 K48 R84	G44-T46 PolarHBondContact O-N 3.03Å; T46-K48 PolarHBondContact O-N 3.16Å; T46-R84 PolarHBondContact OG1-NH2 2.89Å
47	D	29.3	Very low	51.4	Low	180 Å²	180	74.9 Å²	74.9	96%	0.963	39%	0.39	S	S	*	.	S	Bend	trans	-59.1	18	-173.4	-132.7	5.6	0	0	0	116.2
48	K	39.1	Very low	53.1	Low	117 Å²	117	71 Å²	71	51%	0.509	38%	0.381	S	S	.	.			trans	-98.9	112.4	173	-65.5	-170	177.1	-171.7	0	109.5	T46 T50	T46-K48 PolarHBondContact O-N 3.16Å; K48-T50 PolarHBondContact O-N 3.04Å
49	A	39.3	Very low	54.1	Low	74 Å²	74	71.4 Å²	71.4	61%	0.612	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	34.3	174.3	0	0	0	0	0	114.4	Q143	A49-Q143 WeakPolarHBondContact O-CG 3.37Å; A49-Q143 PolarHBondContact O-NE2 3.36Å
50	T	49.3	Very low	55	Low	72 Å²	72	68.6 Å²	68.6	44%	0.442	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-4.1	-179.1	44.9	0	0	0	0	113.7	K48	K48-T50 PolarHBondContact O-N 3.04Å
51	D	62	Low	56.2	Low	48 Å²	48	67 Å²	67	26%	0.257	37%	0.37	S	S	.	.			trans	-97.6	17.6	-170.1	-76.8	18.7	0	0	0	113.7	R84	D51-R84 IonicContact OD2-CZ 3.93Å; D51-R84 VanDerWaalsContact OD2-CZ 3.25Å; D51-R84 IonicContact OD2-NE 3.34Å; D51-R84 PolarHBondContact OD2-NE 2.87Å; D51-R84 IonicContact OD2-NH2 3.51Å; D51-R84 PolarHBondContact OD2-NH2 3.47Å
52	A	66.9	Low	57.9	Low	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.347	C	S	.	.			trans	-90.9	124.1	-174.8	0	0	0	0	0	113.4	R41 L42 T43 F54 P105 Q143	R41-A52 HydrophobicContact CG-CB 3.87Å; L42-A52 WeakPolarHBondContact O-CA 3.12Å; L42-A52 WeakPolarHBondContact O-CB 3.37Å; T43-A52 HydrophobicContact CG2-CB 4.25Å; A52-F54 HydrophobicContact CB-CZ 4.43Å; A52-P105 WeakPolarHBondContact O-CD 3.46Å; A52-P105 WeakPolarHBondContact O-CG 3.36Å; A52-Q143 VanDerWaalsContact CB-OE1 3.31Å
53	C	75.1	Confident	59.6	Low	3 Å²	3	60.4 Å²	60.4	2%	0.02	35%	0.346	C	S	.	.			trans	-87.5	150	168.2	65.9	0	0	0	0	111	I86	C53-I86 HydrophobicContact CB-CD1 4.02Å; C53-I86 HydrophobicContact CB-CG2 4.37Å
54	F	79.3	Confident	61.7	Low	22 Å²	22	56.3 Å²	56.3	10%	0.096	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.1	178	-59	-87.3	0	0	0	109.5	T39 R41 A52 A103 H140 F147	T39-F54 HydrophobicContact CG2-CD1 4.19Å; R41-F54 HydrophobicContact CG-CE1 4.37Å; A52-F54 HydrophobicContact CB-CZ 4.43Å; F54-A103 HydrophobicContact CB-CB 4.28Å; F54-A103 PolarHBondContact N-O 3.43Å; F54-A103 PolarHBondContact O-N 3.15Å; F54-H140 HydrophobicContact CD2-CB 3.83Å; F54-H140 HydrophobicContact CE2-CB 3.62Å; F54-H140 HydrophobicContact CZ-CB 4.19Å; F54-H140 VanDerWaalsContact CZ-O 3.28Å; F54-H140 WeakPolarHBondContact CZ-O 3.43Å; F54-F147 HydrophobicContact CD2-CD1 4.25Å; F54-F147 AromaticContact CD2-CE1 3.81Å; F54-F147 HydrophobicContact CD2-CE1 3.81Å; F54-F147 HydrophobicContact CD2-CZ 4.45Å; F54-F147 HydrophobicContact CE2-CD1 4.42Å; F54-F147 AromaticContact CE2-CE1 3.57Å; F54-F147 HydrophobicContact CE2-CE1 3.57Å; F54-F147 AromaticContact CE2-CZ 3.82Å; F54-F147 HydrophobicContact CE2-CZ 3.82Å
55	V	79.8	Confident	64.2	Low	1 Å²	1	59.5 Å²	59.5	1%	0.006	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.1	174.3	-175.7	0	0	0	0	108	T39 L40 L62 C64 V88 V100 V102	T39-V55 WeakPolarHBondContact CA-O 2.84Å; L40-V55 PolarHBondContact N-O 2.85Å; L40-V55 VanDerWaalsContact N-O 3.16Å; L40-V55 PolarHBondContact O-N 3.31Å; V55-L62 HydrophobicContact CG1-CD1 3.65Å; V55-C64 HydrophobicContact CG2-CB 4.26Å; V55-V88 HydrophobicContact CG1-CG1 4.19Å; V55-V88 HydrophobicContact CG2-CG2 4.11Å; V55-V100 HydrophobicContact CG1-CG1 3.63Å; V55-V102 HydrophobicContact CG1-CG2 4.45Å; V55-V102 HydrophobicContact CG2-CG1 4.49Å
56	R	80.5	Confident	66.9	Low	129 Å²	129	52.9 Å²	52.9	49%	0.487	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.2	178.5	-179.4	-173.5	-64.4	156.1	2.5	110	V100 T101	R56-V100 WeakPolarHBondContact O-CG1 3.45Å; R56-T101 PolarHBondContact N-O 2.86Å; R56-T101 PolarHBondContact O-N 2.99Å
57	A	76.4	Confident	69.5	Low	2 Å²	2	49.5 Å²	49.5	2%	0.017	29%	0.291	C	S	.	.			trans	-133.5	134	-168	0	0	0	0	0	109.5	L62 F96	A57-L62 HydrophobicContact CB-CD1 3.59Å; A57-L62 HydrophobicContact CB-CG 4.24Å; A57-F96 HydrophobicContact CB-CD2 4.22Å; A57-F96 HydrophobicContact CB-CE2 3.15Å; A57-F96 HydrophobicContact CB-CZ 3.55Å
58	P	68.5	Low	72.3	Confident	75 Å²	75	42.9 Å²	42.9	49%	0.487	26%	0.255	S	S	.	.	S	Bend	trans	-62.9	-42.5	-178.8	-25.1	35.8	0	0	0	114	F96 R97 P99	P58-F96 VanDerWaalsContact CD-CZ 3.48Å; P58-R97 WeakPolarHBondContact CD-O 3.07Å; P58-P99 WeakPolarHBondContact CD-O 3.37Å; P58-P99 WeakPolarHBondContact CG-O 3.32Å
59	A	65.1	Low	74.5	Confident	51 Å²	51	41.3 Å²	41.3	42%	0.421	26%	0.256	S	S	.	.	S	Bend	trans	-161.7	136.6	176.8	0	0	0	0	0	110.5	F96	A59-F96 WeakPolarHBondContact O-CD2 3.3Å; A59-F96 WeakPolarHBondContact O-CE2 3.29Å
60	G	66.9	Low	76.8	Confident	22 Å²	22	38 Å²	38	23%	0.227	23%	0.227	C	C	.	.	S	Bend	trans	118.1	164.4	179.6	0	0	0	0	0	113.3	T38	T38-G60 PolarHBondContact OG1-O 3.24Å
61	A	73.3	Confident	78.8	Confident	18 Å²	18	34.8 Å²	34.8	15%	0.149	21%	0.208	C	C	.	.			trans	-94.7	119.4	176	0	0	0	0	0	110.5	R91	A61-R91 HydrophobicContact CB-CB 3.69Å; A61-R91 HydrophobicContact CB-CG 4.3Å; A61-R91 WeakPolarHBondContact O-CB 3.38Å; A61-R91 PolarHBondContact O-N 2.82Å
62	L	81.8	Confident	80.1	Confident	7 Å²	7	32.5 Å²	32.5	4%	0.037	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	152.7	170.4	-64.7	176.7	0	0	0	109.4	L40 V55 A57 V88 K89 V90 F96 V100 L155	L40-L62 HydrophobicContact CD1-CB 3.81Å; L40-L62 WeakPolarHBondContact CD1-O 3.35Å; V55-L62 HydrophobicContact CG1-CD1 3.65Å; A57-L62 HydrophobicContact CB-CD1 3.59Å; A57-L62 HydrophobicContact CB-CG 4.24Å; L62-V88 HydrophobicContact CB-CG1 4.43Å; L62-V88 HydrophobicContact CD1-CG1 4.22Å; L62-K89 CarbonylContact C-O 3.54Å; L62-K89 WeakPolarHBondContact CA-O 3.47Å; L62-V90 HydrophobicContact CD2-CG2 4.38Å; L62-F96 HydrophobicContact CD1-CE2 4.24Å; L62-F96 HydrophobicContact CD1-CZ 4.34Å; L62-F96 HydrophobicContact CD2-CD1 4.46Å; L62-F96 HydrophobicContact CD2-CD2 4.07Å; L62-F96 HydrophobicContact CD2-CG 4.09Å; L62-F96 HydrophobicContact CG-CD2 4.2Å; L62-F96 HydrophobicContact CG-CE2 4.35Å; L62-V100 HydrophobicContact CD1-CG1 3.9Å; L62-V100 HydrophobicContact CD1-CG2 4.15Å; L62-L155 HydrophobicContact CD2-CD1 3.93Å; L62-L155 HydrophobicContact CD2-CD2 4.49Å
63	T	83.4	Confident	81.2	Confident	40 Å²	40	34.3 Å²	34.3	25%	0.245	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	139.3	164.1	57.8	0	0	0	0	108.3	V88 K89 R91	T63-V88 WeakPolarHBondContact O-CA 3.42Å; T63-K89 PolarHBondContact N-O 2.87Å; T63-K89 PolarHBondContact O-N 2.92Å; T63-R91 HydrophobicContact CG2-CB 4.16Å; T63-R91 HydrophobicContact CG2-CG 4.19Å
64	C	84.6	Confident	81.9	Confident	12 Å²	12	34.4 Å²	34.4	8%	0.081	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.7	172.4	-168.2	0	0	0	0	107.2	L42 V55 R87	L42-C64 HydrophobicContact CD1-CB 3.94Å; L42-C64 WeakPolarHBondContact CD1-O 3.34Å; L42-C64 WeakPolarHBondContact CD1-SG 3.44Å; L42-C64 WeakPolarHBondContact CD2-O 3.3Å; L42-C64 HydrophobicContact CG-CB 4.27Å; V55-C64 HydrophobicContact CG2-CB 4.26Å; C64-R87 CarbonylContact C-O 3.6Å; C64-R87 VanDerWaalsContact CA-O 3.26Å; C64-R87 WeakPolarHBondContact CA-O 3.5Å
65	E	86.1	Confident	82.3	Confident	92 Å²	92	33.3 Å²	33.3	43%	0.43	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.3	-178.4	-65.8	172.5	177.2	0	0	110.4	I86 R87	E65-I86 CarbonylContact O-C 3.6Å; E65-I86 WeakPolarHBondContact O-CA 3.44Å; E65-R87 PolarHBondContact N-O 2.84Å; E65-R87 PolarHBondContact O-N 2.9Å
66	A	86.4	Confident	82.4	Confident	69 Å²	69	33.9 Å²	33.9	57%	0.57	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73	128.8	170	0	0	0	0	0	109.5
67	A	87.3	Confident	82.6	Confident	6 Å²	6	30.3 Å²	30.3	5%	0.05	21%	0.21	C	C	.	.			trans	-122.9	36.4	-179.2	0	0	0	0	0	111.3	T69 L70 V85 R87	A67-T69 PolarHBondContact O-N 3.3Å; A67-T69 VanDerWaalsContact O-N 3.1Å; A67-L70 PolarHBondContact O-N 2.79Å; A67-V85 HydrophobicContact CB-CG1 4.06Å; A67-V85 PolarHBondContact N-O 2.53Å; A67-R87 HydrophobicContact CB-CB 4.03Å
68	D	86.4	Confident	83.1	Confident	41 Å²	41	32.3 Å²	32.3	22%	0.219	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-59.1	-20.1	179.6	-82.2	-37.5	0	0	0	112.4	L70 S71 R84 V85 R454	D68-L70 PolarHBondContact O-N 2.94Å; D68-L70 VanDerWaalsContact O-N 3.16Å; D68-S71 VanDerWaalsContact O-CB 3.23Å; D68-S71 WeakPolarHBondContact O-CB 3.34Å; D68-S71 PolarHBondContact O-N 3.27Å; D68-S71 PolarHBondContact O-OG 3.09Å; D68-S71 VanDerWaalsContact O-OG 3.1Å; D68-R84 WeakPolarHBondContact OD1-CA 3.24Å; D68-R84 IonicContact OD2-NH1 3.74Å; D68-R84 PolarHBondContact OD2-NH1 2.88Å; D68-V85 PolarHBondContact OD1-N 2.85Å; D68-R454 IonicContact OD1-CZ 3.68Å; D68-R454 IonicContact OD1-NH1 3.76Å; D68-R454 PolarHBondContact OD1-NH1 3.14Å; D68-R454 VanDerWaalsContact OD1-NH1 3.12Å; D68-R454 IonicContact OD1-NH2 2.9Å; D68-R454 PolarHBondContact OD1-NH2 2.84Å; D68-R454 IonicContact OD2-NH2 2.99Å
69	T	85.6	Confident	84.2	Confident	84 Å²	84	29.8 Å²	29.8	52%	0.515	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-61.3	-19.4	171.6	53.3	0	0	0	0	113.9	A67 D495	A67-T69 PolarHBondContact O-N 3.3Å; A67-T69 VanDerWaalsContact O-N 3.1Å; T69-D495 PolarHBondContact OG1-O 2.75Å
70	L	88.2	Confident	85.5	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.016	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-102.5	6.2	178.1	-62.3	173.2	0	0	0	112.4	A67 D68 C72 L73 M74 I157 R492	A67-L70 PolarHBondContact O-N 2.79Å; D68-L70 PolarHBondContact O-N 2.94Å; D68-L70 VanDerWaalsContact O-N 3.16Å; L70-C72 VanDerWaalsContact C-N 3.29Å; L70-C72 PolarHBondContact O-N 2.91Å; L70-L73 HydrophobicContact CD2-CD1 4.09Å; L70-L73 WeakPolarHBondContact O-CB 3.16Å; L70-L73 PolarHBondContact O-N 3.32Å; L70-M74 PolarHBondContact O-N 2.92Å; L70-I157 HydrophobicContact CD1-CD1 3.44Å; L70-I157 VanDerWaalsContact CD1-CD1 3.44Å; L70-R492 HydrophobicContact CD2-CG 4.1Å
71	S	90.8	Very high	86.9	Confident	6 Å²	6	27 Å²	27	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-59.7	-35.7	-173.9	72.2	0	0	0	0	114.1	D68 L73 M74 A75 H451	D68-S71 VanDerWaalsContact O-CB 3.23Å; D68-S71 WeakPolarHBondContact O-CB 3.34Å; D68-S71 PolarHBondContact O-N 3.27Å; D68-S71 PolarHBondContact O-OG 3.09Å; D68-S71 VanDerWaalsContact O-OG 3.1Å; S71-L73 PolarHBondContact O-N 3.43Å; S71-M74 PolarHBondContact O-N 2.89Å; S71-M74 VanDerWaalsContact O-N 3.11Å; S71-A75 PolarHBondContact O-N 3.12Å; S71-H451 VanDerWaalsContact CB-NE2 3.26Å; S71-H451 WeakPolarHBondContact CB-NE2 3.21Å; S71-H451 PolarHBondContact O-CE1 3.17Å; S71-H451 PolarHBondContact OG-NE2 3.42Å
72	C	89.9	Confident	87.8	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.3	-26.7	174.6	55	0	0	0	0	113.4	L70 G419 Q421 T449 R487 L490 A497	L70-C72 VanDerWaalsContact C-N 3.29Å; L70-C72 PolarHBondContact O-N 2.91Å; C72-G419 WeakPolarHBondContact CB-O 3.31Å; C72-Q421 HydrophobicContact CB-CG 4.34Å; C72-Q421 PolarHBondContact SG-NE2 2.98Å; C72-T449 HydrophobicContact CB-CG2 3.72Å; C72-R487 PolarHBondContact O-NH1 3.39Å; C72-R487 VanDerWaalsContact O-NH1 3.1Å; C72-L490 HydrophobicContact CB-CD1 3.86Å; C72-A497 WeakPolarHBondContact SG-CB 3.39Å
73	L	89.6	Confident	88.3	Confident	37 Å²	37	26.3 Å²	26.3	19%	0.194	17%	0.172	C	C	.	.	H	α-helix	trans	-89.4	-21.6	177.4	-58.6	177.1	0	0	0	111.9	L70 S71 R487 L490 R492 A497	L70-L73 HydrophobicContact CD2-CD1 4.09Å; L70-L73 WeakPolarHBondContact O-CB 3.16Å; L70-L73 PolarHBondContact O-N 3.32Å; S71-L73 PolarHBondContact O-N 3.43Å; L73-R487 VanDerWaalsContact O-CZ 3.27Å; L73-R487 PolarHBondContact O-NH1 3.13Å; L73-R487 PolarHBondContact O-NH2 3.14Å; L73-L490 HydrophobicContact CD2-CB 4.26Å; L73-R492 HydrophobicContact CD1-CB 3.64Å; L73-R492 HydrophobicContact CD1-CG 3.83Å; L73-A497 HydrophobicContact CD1-CB 3.94Å; L73-A497 HydrophobicContact CG-CB 4.03Å
74	M	90.9	Very high	88.6	Confident	5 Å²	5	27.7 Å²	27.7	3%	0.025	17%	0.173	C	C	.	.	H	α-helix	trans	-76.2	-35.7	-178.3	-68.5	-57	-68.2	0	0	114	L70 S71 V85 K120 V122 I157 A159	L70-M74 PolarHBondContact O-N 2.92Å; S71-M74 PolarHBondContact O-N 2.89Å; S71-M74 VanDerWaalsContact O-N 3.11Å; M74-V85 HydrophobicContact CB-CG2 4.16Å; M74-V85 HydrophobicContact CG-CB 4.48Å; M74-V85 HydrophobicContact CG-CG1 3.75Å; M74-V85 HydrophobicContact CG-CG2 3.82Å; M74-V85 HydrophobicContact SD-CG1 4.48Å; M74-K120 WeakPolarHBondContact O-CD 3.49Å; M74-K120 WeakPolarHBondContact O-CE 3.48Å; M74-K120 PolarHBondContact O-NZ 3.42Å; M74-V122 HydrophobicContact CE-CG2 3.85Å; M74-V122 HydrophobicContact SD-CG2 3.8Å; M74-I157 HydrophobicContact CE-CB 4.37Å; M74-I157 HydrophobicContact CE-CG2 3.72Å; M74-I157 HydrophobicContact CG-CG2 4.3Å; M74-I157 HydrophobicContact SD-CB 4.28Å; M74-I157 HydrophobicContact SD-CG2 3.59Å; M74-I157 VanDerWaalsContact SD-CG2 3.59Å; M74-A159 HydrophobicContact CB-CB 4.18Å; M74-A159 HydrophobicContact CE-CB 3.58Å; M74-A159 HydrophobicContact CG-CB 4.39Å
75	A	86.8	Confident	88.9	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-123.8	135.4	179	0	0	0	0	0	111.7	S71 E79 L81 V161 E418 R487	S71-A75 PolarHBondContact O-N 3.12Å; A75-E79 HydrophobicContact CB-CB 4.39Å; A75-L81 HydrophobicContact CB-CB 3.82Å; A75-V161 HydrophobicContact CB-CG1 4.36Å; A75-E418 HydrophobicContact CB-CG 3.85Å; A75-R487 PolarHBondContact O-NH1 3.07Å
76	G	81.4	Confident	89.1	Confident	12 Å²	12	23.1 Å²	23.1	12%	0.124	15%	0.151	C	C	.	.			trans	-162.6	168.4	-180	0	0	0	0	0	113.7	S78 E79	G76-S78 PolarHBondContact O-N 3.23Å; G76-E79 WeakPolarHBondContact O-CB 3.43Å; G76-E79 WeakPolarHBondContact O-CG 3.14Å; G76-E79 PolarHBondContact O-N 3.16Å
77	G	84.8	Confident	89.3	Confident	54 Å²	54	21.2 Å²	21.2	56%	0.557	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.5	-120.2	-173.6	0	0	0	0	0	110.6
78	S	86.9	Confident	89.4	Confident	45 Å²	45	20.9 Å²	20.9	32%	0.315	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2.1	177.9	56.3	0	0	0	0	113.9	G76 R115 P164	G76-S78 PolarHBondContact O-N 3.23Å; S78-R115 PolarHBondContact O-NH1 2.76Å; S78-R115 PolarHBondContact O-NH2 2.63Å; S78-P164 WeakPolarHBondContact OG-CG 3.48Å
79	E	92.2	Very high	89.4	Confident	22 Å²	22	22 Å²	22	10%	0.103	13%	0.129	C	C	.	.			trans	-74.9	147.8	173.3	-56.8	179.4	150.3	0	0	110.9	A75 G76 K120 Y130 S162 R163 E418	A75-E79 HydrophobicContact CB-CB 4.39Å; G76-E79 WeakPolarHBondContact O-CB 3.43Å; G76-E79 WeakPolarHBondContact O-CG 3.14Å; G76-E79 PolarHBondContact O-N 3.16Å; E79-K120 IonicContact OE1-NZ 3.21Å; E79-K120 IonicContact OE2-NZ 2.94Å; E79-K120 PolarHBondContact OE2-NZ 2.82Å; E79-Y130 WeakPolarHBondContact OE1-CE1 3.4Å; E79-Y130 PolarHBondContact OE1-OH 2.79Å; E79-S162 CarbonylContact C-O 3.02Å; E79-R163 HydrophobicContact CG-CB 4.46Å; E79-E418 WeakPolarHBondContact O-CB 3.45Å; E79-E418 VanDerWaalsContact O-CG 3.27Å; E79-E418 WeakPolarHBondContact O-CG 3.49Å
80	E	93.4	Very high	89.3	Confident	15 Å²	15	20.8 Å²	20.8	7%	0.07	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.4	175.8	-57.4	176	174.5	0	0	108.9	R115 V161 S162 C452 Q453	E80-R115 IonicContact OE1-CZ 3.81Å; E80-R115 IonicContact OE1-NE 3.47Å; E80-R115 PolarHBondContact OE1-NE 3.22Å; E80-R115 IonicContact OE1-NH1 3.26Å; E80-R115 IonicContact OE1-NH2 2.61Å; E80-R115 PolarHBondContact OE1-NH2 3Å; E80-R115 IonicContact OE2-CZ 2.81Å; E80-R115 IonicContact OE2-NE 2.7Å; E80-V161 CarbonylContact O-C 3.59Å; E80-V161 WeakPolarHBondContact O-CA 3.23Å; E80-S162 PolarHBondContact N-O 3.05Å; E80-S162 PolarHBondContact O-N 3.48Å; E80-C452 WeakPolarHBondContact CG-SG 3.38Å; E80-Q453 HydrophobicContact CB-CG 3.98Å; E80-Q453 WeakPolarHBondContact OE2-CG 3.43Å; E80-Q453 PolarHBondContact OE2-NE2 3.24Å
81	L	94.6	Very high	88.7	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	124.8	-179.7	-172.8	66.1	0	0	0	110.5	A75 S83 V85 A159 V161 E418 H451 R454	A75-L81 HydrophobicContact CB-CB 3.82Å; L81-S83 WeakPolarHBondContact CG-O 3.15Å; L81-V85 HydrophobicContact CD1-CG2 4.45Å; L81-V85 HydrophobicContact CD2-CG2 4.12Å; L81-A159 HydrophobicContact CD1-CB 3.71Å; L81-V161 HydrophobicContact CD1-CG1 4.12Å; L81-E418 WeakPolarHBondContact CB-OE1 3.01Å; L81-E418 PolarHBondContact N-OE1 3.28Å; L81-H451 HydrophobicContact CB-CB 4.5Å; L81-R454 WeakPolarHBondContact O-CG 3.38Å
82	V	93.4	Very high	87.4	Confident	5 Å²	5	32.6 Å²	32.6	3%	0.03	18%	0.177	C	C	.	.			trans	-116.4	-4.3	-176.5	-62.5	0	0	0	0	113.9	F106 C107 V108 V160 Q453	V82-F106 HydrophobicContact CG2-CB 4.13Å; V82-F106 HydrophobicContact CG2-CD2 4.08Å; V82-F106 HydrophobicContact CG2-CG 4.47Å; V82-F106 WeakPolarHBondContact O-CA 3.27Å; V82-C107 PolarHBondContact O-N 3.04Å; V82-V108 HydrophobicContact CB-CG2 4.28Å; V82-V108 HydrophobicContact CG1-CG2 4.1Å; V82-V160 HydrophobicContact CG2-CB 3.86Å; V82-V160 HydrophobicContact CG2-CG1 3.57Å; V82-V160 VanDerWaalsContact CG2-O 3.22Å; V82-V160 WeakPolarHBondContact CG2-O 3.27Å; V82-V160 PolarHBondContact N-O 3.34Å; V82-Q453 HydrophobicContact CG1-CB 3.81Å; V82-Q453 HydrophobicContact CG1-CG 3.89Å
83	S	91.8	Very high	86	Confident	4 Å²	4	36.4 Å²	36.4	3%	0.028	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-126.7	172.3	173.2	73.3	0	0	0	0	112.5	L81 P105 V160 R454	L81-S83 WeakPolarHBondContact CG-O 3.15Å; S83-P105 WeakPolarHBondContact CB-O 3.28Å; S83-V160 PolarHBondContact N-O 2.82Å; S83-V160 PolarHBondContact OG-N 3.06Å; S83-R454 WeakPolarHBondContact O-CD 3.42Å; S83-R454 PolarHBondContact O-NH1 2.86Å
84	R	89.9	Confident	84.5	Confident	70 Å²	70	39 Å²	39	26%	0.264	23%	0.231	S	C	.	.			trans	-64.8	156.7	157.7	-68.3	-174.7	-179.2	-118.7	10.8	110.5	T46 D51 D68	T46-R84 PolarHBondContact OG1-NH2 2.89Å; D51-R84 IonicContact OD2-CZ 3.93Å; D51-R84 VanDerWaalsContact OD2-CZ 3.25Å; D51-R84 IonicContact OD2-NE 3.34Å; D51-R84 PolarHBondContact OD2-NE 2.87Å; D51-R84 IonicContact OD2-NH2 3.51Å; D51-R84 PolarHBondContact OD2-NH2 3.47Å; D68-R84 WeakPolarHBondContact OD1-CA 3.24Å; D68-R84 IonicContact OD2-NH1 3.74Å; D68-R84 PolarHBondContact OD2-NH1 2.88Å
85	V	90.8	Very high	83.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	27%	0.266	C	S	.	.			trans	-91.4	128.7	173.1	-176.9	0	0	0	0	108.6	A67 D68 M74 L81 I157 A159	A67-V85 HydrophobicContact CB-CG1 4.06Å; A67-V85 PolarHBondContact N-O 2.53Å; D68-V85 PolarHBondContact OD1-N 2.85Å; M74-V85 HydrophobicContact CB-CG2 4.16Å; M74-V85 HydrophobicContact CG-CB 4.48Å; M74-V85 HydrophobicContact CG-CG1 3.75Å; M74-V85 HydrophobicContact CG-CG2 3.82Å; M74-V85 HydrophobicContact SD-CG1 4.48Å; L81-V85 HydrophobicContact CD1-CG2 4.45Å; L81-V85 HydrophobicContact CD2-CG2 4.12Å; V85-I157 HydrophobicContact CG1-CG2 3.22Å; V85-A159 HydrophobicContact CG2-CB 4.25Å
86	I	91.2	Very high	82.4	Confident	8 Å²	8	43.8 Å²	43.8	4%	0.041	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.9	178	67	173.5	0	0	0	110	C53 E65 V88 V102 V104 I157 F158	C53-I86 HydrophobicContact CB-CD1 4.02Å; C53-I86 HydrophobicContact CB-CG2 4.37Å; E65-I86 CarbonylContact O-C 3.6Å; E65-I86 WeakPolarHBondContact O-CA 3.44Å; I86-V88 HydrophobicContact CD1-CG2 4.44Å; I86-V102 HydrophobicContact CD1-CG1 3.91Å; I86-V104 HydrophobicContact CD1-CG2 3.68Å; I86-V104 HydrophobicContact CG1-CG2 4.43Å; I86-I157 CarbonylContact O-C 3.58Å; I86-I157 WeakPolarHBondContact O-CA 3.41Å; I86-F158 HydrophobicContact CD1-CB 4.26Å; I86-F158 HydrophobicContact CG1-CB 3.77Å; I86-F158 PolarHBondContact N-O 3.42Å; I86-F158 PolarHBondContact O-N 3.46Å
87	R	89.3	Confident	82.3	Confident	28 Å²	28	52.3 Å²	52.3	11%	0.106	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.7	172.9	178.4	-178.7	-72.6	-112.5	15.9	108	C64 E65 A67 K89 G156 I157 D495	C64-R87 CarbonylContact C-O 3.6Å; C64-R87 VanDerWaalsContact CA-O 3.26Å; C64-R87 WeakPolarHBondContact CA-O 3.5Å; E65-R87 PolarHBondContact N-O 2.84Å; E65-R87 PolarHBondContact O-N 2.9Å; A67-R87 HydrophobicContact CB-CB 4.03Å; R87-K89 HydrophobicContact CG-CD 4.32Å; R87-K89 HydrophobicContact CG-CG 4.18Å; R87-G156 CarbonylContact C-O 3.59Å; R87-G156 WeakPolarHBondContact CA-O 3.31Å; R87-I157 HydrophobicContact CB-CG1 4.47Å; R87-I157 HydrophobicContact CG-CG1 4.44Å; R87-D495 IonicContact CZ-OD1 2.69Å; R87-D495 VanDerWaalsContact CZ-OD1 3.26Å; R87-D495 IonicContact NH1-OD1 2.81Å; R87-D495 IonicContact NH2-OD1 2.71Å; R87-D495 PolarHBondContact NH2-OD1 3.47Å
88	V	89	Confident	82.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.7	175	-172.4	0	0	0	0	107.9	V55 L62 T63 I86 L155 G156 F158	V55-V88 HydrophobicContact CG1-CG1 4.19Å; V55-V88 HydrophobicContact CG2-CG2 4.11Å; L62-V88 HydrophobicContact CB-CG1 4.43Å; L62-V88 HydrophobicContact CD1-CG1 4.22Å; T63-V88 WeakPolarHBondContact O-CA 3.42Å; I86-V88 HydrophobicContact CD1-CG2 4.44Å; V88-L155 HydrophobicContact CB-CD2 4.32Å; V88-L155 HydrophobicContact CG1-CD2 3.82Å; V88-G156 PolarHBondContact N-O 2.92Å; V88-G156 PolarHBondContact O-N 3.09Å; V88-G156 VanDerWaalsContact O-N 3.17Å; V88-F158 HydrophobicContact CB-CD2 4.27Å; V88-F158 HydrophobicContact CB-CE2 3.83Å; V88-F158 HydrophobicContact CG2-CD2 3.81Å; V88-F158 HydrophobicContact CG2-CE2 3.83Å
89	K	86.8	Confident	82.3	Confident	65 Å²	65	54.1 Å²	54.1	28%	0.283	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	161.4	179.5	-76.2	173.2	166.1	167.8	0	110.1	L62 T63 R87	L62-K89 CarbonylContact C-O 3.54Å; L62-K89 WeakPolarHBondContact CA-O 3.47Å; T63-K89 PolarHBondContact N-O 2.87Å; T63-K89 PolarHBondContact O-N 2.92Å; R87-K89 HydrophobicContact CG-CD 4.32Å; R87-K89 HydrophobicContact CG-CG 4.18Å
90	V	83.6	Confident	82.1	Confident	58 Å²	58	53 Å²	53	35%	0.352	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	144.1	167.4	-170.4	0	0	0	0	108.6	L62 D94 F96 L155	L62-V90 HydrophobicContact CD2-CG2 4.38Å; V90-D94 WeakPolarHBondContact CG1-O 3.25Å; V90-F96 HydrophobicContact CG1-CB 4.48Å; V90-F96 HydrophobicContact CG2-CB 4.49Å; V90-L155 HydrophobicContact CG2-CD1 3.36Å
91	R	75.3	Confident	81.8	Confident	88 Å²	88	53.3 Å²	53.3	33%	0.332	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-80.8	131	170.5	-165.1	175.2	-174.6	-166.7	-8.3	109.2	A61 T63 G93	A61-R91 HydrophobicContact CB-CB 3.69Å; A61-R91 HydrophobicContact CB-CG 4.3Å; A61-R91 WeakPolarHBondContact O-CB 3.38Å; A61-R91 PolarHBondContact O-N 2.82Å; T63-R91 HydrophobicContact CG2-CB 4.16Å; T63-R91 HydrophobicContact CG2-CG 4.19Å; R91-G93 PolarHBondContact O-N 2.97Å
92	D	64.8	Low	81.5	Confident	168 Å²	168	53.3 Å²	53.3	90%	0.898	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	128.2	-174.7	-66.9	-36.3	0	0	0	113
93	G	59.2	Low	81.4	Confident	81 Å²	81	53.2 Å²	53.2	84%	0.835	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.1	-12.2	171	0	0	0	0	0	117.1	R91	R91-G93 PolarHBondContact O-N 2.97Å
94	D	58.1	Low	81.2	Confident	92 Å²	92	53.1 Å²	53.1	49%	0.492	29%	0.289	S	S	.	.			trans	-108.5	132.2	-178.2	-80.2	-23.3	0	0	0	113.4	V90	V90-D94 WeakPolarHBondContact CG1-O 3.25Å
95	G	62.7	Low	81.2	Confident	74 Å²	74	50.8 Å²	50.8	76%	0.763	28%	0.283	S	S	*	.			trans	-72	125.4	166.5	0	0	0	0	0	111
96	F	70.9	Confident	81.1	Confident	30 Å²	30	52 Å²	52	13%	0.132	29%	0.289	C	S	.	.			trans	-108.8	144.1	179.2	179.4	-90.6	0	0	0	111.6	A57 P58 A59 L62 V90 F98 V100	A57-F96 HydrophobicContact CB-CD2 4.22Å; A57-F96 HydrophobicContact CB-CE2 3.15Å; A57-F96 HydrophobicContact CB-CZ 3.55Å; P58-F96 VanDerWaalsContact CD-CZ 3.48Å; A59-F96 WeakPolarHBondContact O-CD2 3.3Å; A59-F96 WeakPolarHBondContact O-CE2 3.29Å; L62-F96 HydrophobicContact CD1-CE2 4.24Å; L62-F96 HydrophobicContact CD1-CZ 4.34Å; L62-F96 HydrophobicContact CD2-CD1 4.46Å; L62-F96 HydrophobicContact CD2-CD2 4.07Å; L62-F96 HydrophobicContact CD2-CG 4.09Å; L62-F96 HydrophobicContact CG-CD2 4.2Å; L62-F96 HydrophobicContact CG-CE2 4.35Å; V90-F96 HydrophobicContact CG1-CB 4.48Å; V90-F96 HydrophobicContact CG2-CB 4.49Å; F96-F98 HydrophobicContact CE1-CD1 4.22Å; F96-F98 HydrophobicContact CE1-CE1 4.44Å; F96-V100 HydrophobicContact CD1-CG2 4.1Å; F96-V100 HydrophobicContact CE1-CB 4.44Å; F96-V100 HydrophobicContact CE1-CG2 3.1Å; F96-V100 HydrophobicContact CZ-CB 4.47Å; F96-V100 HydrophobicContact CZ-CG2 3.4Å; F96-V100 VanDerWaalsContact CZ-CG2 3.4Å
97	R	78.8	Confident	80.8	Confident	192 Å²	192	55.7 Å²	55.7	73%	0.725	31%	0.314	S	S	*	.			trans	-109.4	126	179	-68.2	-172.9	-176.9	173.2	1.8	113.1	P58	P58-R97 WeakPolarHBondContact CD-O 3.07Å
98	F	84.4	Confident	80.7	Confident	91 Å²	91	55.7 Å²	55.7	40%	0.399	32%	0.317	S	S	.	.	S	Bend	trans	-74.1	157.4	172.3	-69.4	-70.9	0	0	0	112.9	F96 V100 V152 Y153 L155	F96-F98 HydrophobicContact CE1-CD1 4.22Å; F96-F98 HydrophobicContact CE1-CE1 4.44Å; F98-V100 HydrophobicContact CD1-CG2 3.98Å; F98-V100 HydrophobicContact CE1-CG2 4.01Å; F98-V152 WeakPolarHBondContact CD1-O 3.2Å; F98-Y153 HydrophobicContact CB-CD1 3.94Å; F98-Y153 VanDerWaalsContact CE1-C 3.41Å; F98-Y153 WeakPolarHBondContact CE1-O 3.43Å; F98-Y153 WeakPolarHBondContact CZ-O 3.34Å; F98-L155 HydrophobicContact CE1-CD2 4.35Å; F98-L155 HydrophobicContact CE1-CG 4.14Å; F98-L155 HydrophobicContact CZ-CG 4.11Å
99	P	88.1	Confident	80.5	Confident	45 Å²	45	59.1 Å²	59.1	29%	0.292	33%	0.33	S	S	.	.	P	Polyproline II helix	cis	-81	149.5	-0.1	30.9	-33.8	0	0	0	114.1	P58 K151 V152 Y153	P58-P99 WeakPolarHBondContact CD-O 3.37Å; P58-P99 WeakPolarHBondContact CG-O 3.32Å; P99-K151 HydrophobicContact CB-CB 4.38Å; P99-V152 WeakPolarHBondContact CA-O 3.14Å; P99-Y153 HydrophobicContact CB-CD1 4.26Å; P99-Y153 HydrophobicContact CB-CE1 3.76Å; P99-Y153 HydrophobicContact CB-CE2 4.46Å; P99-Y153 HydrophobicContact CG-CE1 4.3Å
100	V	87.3	Confident	80.2	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138.9	165.9	-175.1	0	0	0	0	108.4	V55 R56 L62 F96 F98 V102 K151 V152 L155	V55-V100 HydrophobicContact CG1-CG1 3.63Å; R56-V100 WeakPolarHBondContact O-CG1 3.45Å; L62-V100 HydrophobicContact CD1-CG1 3.9Å; L62-V100 HydrophobicContact CD1-CG2 4.15Å; F96-V100 HydrophobicContact CD1-CG2 4.1Å; F96-V100 HydrophobicContact CE1-CB 4.44Å; F96-V100 HydrophobicContact CE1-CG2 3.1Å; F96-V100 HydrophobicContact CZ-CB 4.47Å; F96-V100 HydrophobicContact CZ-CG2 3.4Å; F96-V100 VanDerWaalsContact CZ-CG2 3.4Å; F98-V100 HydrophobicContact CD1-CG2 3.98Å; F98-V100 HydrophobicContact CE1-CG2 4.01Å; V100-V102 HydrophobicContact CG1-CG2 3.9Å; V100-K151 CarbonylContact O-C 3.55Å; V100-K151 WeakPolarHBondContact O-CA 3.45Å; V100-V152 HydrophobicContact CB-CG2 3.75Å; V100-V152 HydrophobicContact CG1-CG2 4.45Å; V100-V152 PolarHBondContact N-O 3.39Å; V100-V152 WeakPolarHBondContact O-CG2 3.41Å; V100-V152 PolarHBondContact O-N 2.83Å; V100-L155 HydrophobicContact CG2-CD2 4Å
101	T	88.5	Confident	80.1	Confident	21 Å²	21	63.7 Å²	63.7	13%	0.129	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.1	166.1	-62.8	0	0	0	0	109.3	R56 E149 V150	R56-T101 PolarHBondContact N-O 2.86Å; R56-T101 PolarHBondContact O-N 2.99Å; T101-E149 HydrophobicContact CG2-CG 3.51Å; T101-E149 WeakPolarHBondContact CG2-OE1 3.15Å; T101-V150 CarbonylContact C-O 3.58Å; T101-V150 WeakPolarHBondContact CA-O 3.33Å
102	V	88.7	Confident	80.4	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.1	176.1	-177.3	0	0	0	0	108	V55 I86 V100 V104 E149 V150 V152 F158	V55-V102 HydrophobicContact CG1-CG2 4.45Å; V55-V102 HydrophobicContact CG2-CG1 4.49Å; I86-V102 HydrophobicContact CD1-CG1 3.91Å; V100-V102 HydrophobicContact CG1-CG2 3.9Å; V102-V104 HydrophobicContact CG1-CG2 3.77Å; V102-E149 WeakPolarHBondContact O-CA 3.36Å; V102-V150 HydrophobicContact CB-CG2 4.21Å; V102-V150 PolarHBondContact N-O 2.81Å; V102-V150 PolarHBondContact O-N 3.22Å; V102-V152 HydrophobicContact CG2-CG2 3.88Å; V102-F158 HydrophobicContact CG2-CE1 4.47Å
103	A	89.3	Confident	81.4	Confident	3 Å²	3	56.5 Å²	56.5	3%	0.025	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	113.8	173.3	0	0	0	0	0	109.4	F54 A148 E149	F54-A103 HydrophobicContact CB-CB 4.28Å; F54-A103 PolarHBondContact N-O 3.43Å; F54-A103 PolarHBondContact O-N 3.15Å; A103-A148 WeakPolarHBondContact CA-O 3.5Å; A103-E149 HydrophobicContact CB-CB 4.33Å; A103-E149 HydrophobicContact CB-CG 4.37Å
104	V	89.4	Confident	82.7	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.2	-176.9	-170.2	0	0	0	0	109.6	I86 V102 A148 V160	I86-V104 HydrophobicContact CD1-CG2 3.68Å; I86-V104 HydrophobicContact CG1-CG2 4.43Å; V102-V104 HydrophobicContact CG1-CG2 3.77Å; V104-A148 PolarHBondContact N-O 2.75Å; V104-A148 PolarHBondContact O-N 2.52Å; V104-V160 HydrophobicContact CB-CG2 3.61Å; V104-V160 HydrophobicContact CG1-CG2 3.72Å; V104-V160 HydrophobicContact CG2-CG2 4.44Å
105	P	88.3	Confident	84.3	Confident	21 Å²	21	52.8 Å²	52.8	14%	0.136	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	136.8	174.3	29.3	-35.9	0	0	0	109.7	A52 S83 F147	A52-P105 WeakPolarHBondContact O-CD 3.46Å; A52-P105 WeakPolarHBondContact O-CG 3.36Å; S83-P105 WeakPolarHBondContact CB-O 3.28Å; P105-F147 HydrophobicContact CB-CD1 4.1Å; P105-F147 HydrophobicContact CB-CE1 3.76Å; P105-F147 HydrophobicContact CB-CZ 4.5Å; P105-F147 HydrophobicContact CG-CE1 4.46Å
106	F	89.2	Confident	85.7	Confident	26 Å²	26	52.6 Å²	52.6	11%	0.114	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	158.6	177.5	73.8	-82.3	0	0	0	111.5	V82 V108 V117 T135 C146 A148 V160	V82-F106 HydrophobicContact CG2-CB 4.13Å; V82-F106 HydrophobicContact CG2-CD2 4.08Å; V82-F106 HydrophobicContact CG2-CG 4.47Å; V82-F106 WeakPolarHBondContact O-CA 3.27Å; F106-V108 HydrophobicContact CD2-CG2 3.8Å; F106-V108 HydrophobicContact CE2-CG2 3.79Å; F106-V117 HydrophobicContact CD2-CG1 4.47Å; F106-V117 HydrophobicContact CE2-CG1 4.11Å; F106-V117 HydrophobicContact CE2-CG2 4.11Å; F106-V117 HydrophobicContact CZ-CG1 4.25Å; F106-T135 HydrophobicContact CE1-CG2 4.35Å; F106-T135 HydrophobicContact CZ-CG2 4.04Å; F106-C146 HydrophobicContact CD1-CB 4.14Å; F106-C146 WeakPolarHBondContact CD1-O 3.36Å; F106-C146 HydrophobicContact CE1-CB 3.75Å; F106-C146 HydrophobicContact CE2-CB 4.2Å; F106-C146 HydrophobicContact CZ-CB 3.78Å; F106-C146 PolarHBondContact N-O 2.8Å; F106-A148 HydrophobicContact CD1-CB 3.83Å; F106-A148 HydrophobicContact CE1-CB 3.91Å; F106-V160 HydrophobicContact CB-CB 3.97Å; F106-V160 HydrophobicContact CB-CG1 3.98Å; F106-V160 HydrophobicContact CB-CG2 4.12Å; F106-V160 HydrophobicContact CD1-CG1 4.25Å; F106-V160 HydrophobicContact CD2-CG1 4.29Å; F106-V160 HydrophobicContact CG-CB 4.45Å; F106-V160 HydrophobicContact CG-CG1 3.93Å
107	C	86	Confident	86.7	Confident	85 Å²	85	53 Å²	53	57%	0.574	27%	0.265	S	S	*	.			trans	-137.1	127	175.4	-174.7	0	0	0	0	109.3	V82	V82-C107 PolarHBondContact O-N 3.04Å
108	V	86.6	Confident	87.5	Confident	29 Å²	29	44.2 Å²	44.2	18%	0.176	23%	0.233	C	C	.	.			trans	-107.8	109.6	174.8	-174.1	0	0	0	0	107.3	V82 F106 H110 R111 V117	V82-V108 HydrophobicContact CB-CG2 4.28Å; V82-V108 HydrophobicContact CG1-CG2 4.1Å; F106-V108 HydrophobicContact CD2-CG2 3.8Å; F106-V108 HydrophobicContact CE2-CG2 3.79Å; V108-H110 WeakPolarHBondContact CG1-O 3.41Å; V108-R111 HydrophobicContact CB-CG 4.28Å; V108-R111 HydrophobicContact CG1-CG 3.95Å; V108-V117 HydrophobicContact CG2-CG2 4.37Å
109	R	83.6	Confident	88	Confident	72 Å²	72	39.9 Å²	39.9	27%	0.272	21%	0.214	S	C	.	.	S	Bend	trans	-69.1	-40.8	176.2	-65	179.5	-179.5	-136.7	-2	110.7	D393 E397 Q453	R109-D393 IonicContact CZ-OD2 3.84Å; R109-D393 IonicContact NH1-OD2 3.12Å; R109-D393 PolarHBondContact NH1-OD2 2.95Å; R109-E397 IonicContact CZ-OE1 2.63Å; R109-E397 IonicContact NH1-OE1 3.09Å; R109-E397 PolarHBondContact NH1-OE1 3.17Å; R109-E397 IonicContact NH2-OE1 2.69Å; R109-Q453 WeakPolarHBondContact CD-O 3.39Å; R109-Q453 WeakPolarHBondContact CG-O 3.42Å; R109-Q453 PolarHBondContact NE-O 2.84Å
110	H	82.1	Confident	88.3	Confident	36 Å²	36	38.2 Å²	38.2	17%	0.167	20%	0.203	C	C	.	.	S	Bend	trans	-122.2	95.3	-172.8	-59.9	-58.6	0	0	0	109.9	V108 R392 D393 Q453	V108-H110 WeakPolarHBondContact CG1-O 3.41Å; H110-R392 VanDerWaalsContact CB-NH1 3.34Å; H110-R392 PolarHBondContact CE1-NE 2.86Å; H110-R392 PolarHBondContact ND1-NE 3.17Å; H110-R392 PolarHBondContact ND1-NH1 3.31Å; H110-R392 VanDerWaalsContact ND1-NH1 3.17Å; H110-R392 PolarHBondContact ND1-NH2 2.8Å; H110-D393 IonicContact CE1-OD1 3.48Å; H110-D393 PolarHBondContact CE1-OD1 3.4Å; H110-D393 IonicContact NE2-OD1 2.75Å; H110-D393 PolarHBondContact NE2-OD1 3.1Å; H110-D393 IonicContact NE2-OD2 3.64Å; H110-D393 PolarHBondContact NE2-OD2 2.84Å; H110-Q453 PolarHBondContact O-NE2 3.02Å; H110-Q453 VanDerWaalsContact O-NE2 3.17Å
111	R	81.1	Confident	88.7	Confident	183 Å²	183	38.3 Å²	38.3	69%	0.691	20%	0.203	S	C	*	.			trans	-77.6	135.3	174	-64.4	-174.8	179.6	-167.2	-0.6	109.4	V108 E137	V108-R111 HydrophobicContact CB-CG 4.28Å; V108-R111 HydrophobicContact CG1-CG 3.95Å; R111-E137 IonicContact NH2-OE1 3.66Å; R111-E137 PolarHBondContact NH2-OE1 2.9Å
112	S	81.1	Confident	88.9	Confident	51 Å²	51	37.9 Å²	37.9	36%	0.357	20%	0.201	S	C	.	.			trans	-135	144.8	172.3	75	0	0	0	0	110.3	H114 R115	S112-H114 PolarHBondContact O-N 3.27Å; S112-R115 PolarHBondContact O-N 2.98Å; S112-R115 WeakPolarHBondContact OG-CB 3.49Å; S112-R115 WeakPolarHBondContact OG-CG 3.25Å
113	G	85.6	Confident	89	Confident	54 Å²	54	39.5 Å²	39.5	56%	0.557	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-15.5	176.8	0	0	0	0	0	113.7	M182	G113-M182 WeakPolarHBondContact O-CB 3.31Å
114	H	87.7	Confident	88.7	Confident	38 Å²	38	46.3 Å²	46.3	18%	0.176	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-5.6	178.9	-56.3	-78.8	0	0	0	113.5	S112 K165	S112-H114 PolarHBondContact O-N 3.27Å; H114-K165 WeakPolarHBondContact O-CB 3.22Å; H114-K165 PolarHBondContact O-N 2.81Å
115	R	90.9	Very high	88.5	Confident	57 Å²	57	52.5 Å²	52.5	22%	0.215	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	152.2	-177.9	-68.8	178.8	170.6	-82.1	4.7	110.9	S78 E80 S112 S162 R163	S78-R115 PolarHBondContact O-NH1 2.76Å; S78-R115 PolarHBondContact O-NH2 2.63Å; E80-R115 IonicContact OE1-CZ 3.81Å; E80-R115 IonicContact OE1-NE 3.47Å; E80-R115 PolarHBondContact OE1-NE 3.22Å; E80-R115 IonicContact OE1-NH1 3.26Å; E80-R115 IonicContact OE1-NH2 2.61Å; E80-R115 PolarHBondContact OE1-NH2 3Å; E80-R115 IonicContact OE2-CZ 2.81Å; E80-R115 IonicContact OE2-NE 2.7Å; S112-R115 PolarHBondContact O-N 2.98Å; S112-R115 WeakPolarHBondContact OG-CB 3.49Å; S112-R115 WeakPolarHBondContact OG-CG 3.25Å; R115-S162 WeakPolarHBondContact CD-OG 3.2Å; R115-S162 PolarHBondContact NH1-O 3.3Å; R115-R163 CarbonylContact C-O 3.56Å; R115-R163 WeakPolarHBondContact CA-O 3.29Å; R115-R163 WeakPolarHBondContact CB-O 3.47Å
116	E	91.7	Very high	88.4	Confident	69 Å²	69	56.7 Å²	56.7	32%	0.322	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	154.9	174.5	69	-174.6	175.3	0	0	110.5	S162 R163 K165	E116-S162 WeakPolarHBondContact O-CA 3.49Å; E116-R163 HydrophobicContact CG-CG 3.82Å; E116-R163 PolarHBondContact N-O 3.11Å; E116-R163 PolarHBondContact O-N 3.18Å; E116-R163 IonicContact OE1-NE 2.78Å; E116-K165 HydrophobicContact CB-CB 4.32Å; E116-K165 HydrophobicContact CB-CG 4.35Å; E116-K165 HydrophobicContact CG-CB 4.41Å
117	V	93.2	Very high	88.4	Confident	40 Å²	40	63 Å²	63	24%	0.242	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.3	177.3	179.6	0	0	0	0	108.9	F106 V108 P133 V160 V161	F106-V117 HydrophobicContact CD2-CG1 4.47Å; F106-V117 HydrophobicContact CE2-CG1 4.11Å; F106-V117 HydrophobicContact CE2-CG2 4.11Å; F106-V117 HydrophobicContact CZ-CG1 4.25Å; V108-V117 HydrophobicContact CG2-CG2 4.37Å; V117-P133 HydrophobicContact CG1-CG 4.19Å; V117-P133 VanDerWaalsContact O-CD 3.29Å; V117-P133 WeakPolarHBondContact O-CD 3.33Å; V117-V160 HydrophobicContact CG1-CG1 3.32Å; V117-V161 WeakPolarHBondContact CA-O 3.32Å
118	A	94.4	Very high	88.7	Confident	6 Å²	6	62.6 Å²	62.6	5%	0.05	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151	175.4	0	0	0	0	0	110.6	Y130 V160 V161 R163	A118-Y130 HydrophobicContact CB-CD1 4.43Å; A118-V160 WeakPolarHBondContact O-CA 3.36Å; A118-V161 HydrophobicContact CB-CG2 4.43Å; A118-V161 PolarHBondContact N-O 3.32Å; A118-V161 PolarHBondContact O-N 3.3Å; A118-R163 HydrophobicContact CB-CG 4.45Å
119	V	95.1	Very high	89	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	117	167.2	-176.7	0	0	0	0	108	V121 Y130 I131 P133 A148 V150 F158 A159 V160	V119-V121 HydrophobicContact CG1-CG2 4.2Å; V119-Y130 WeakPolarHBondContact O-CA 3.4Å; V119-I131 PolarHBondContact N-O 2.87Å; V119-I131 PolarHBondContact O-N 3.01Å; V119-P133 HydrophobicContact CG2-CB 3.99Å; V119-P133 HydrophobicContact CG2-CG 4.32Å; V119-A148 HydrophobicContact CG2-CB 3.86Å; V119-V150 HydrophobicContact CB-CG1 3.9Å; V119-V150 HydrophobicContact CB-CG2 4.27Å; V119-V150 HydrophobicContact CG1-CG2 4.06Å; V119-V150 HydrophobicContact CG2-CG1 3.56Å; V119-V150 HydrophobicContact CG2-CG2 4.19Å; V119-F158 HydrophobicContact CG1-CD1 4.31Å; V119-A159 WeakPolarHBondContact CA-O 3.41Å; V119-V160 HydrophobicContact CG2-CG2 4.41Å
120	K	95.4	Very high	89.5	Confident	11 Å²	11	64.4 Å²	64.4	5%	0.048	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.1	172.2	-169.2	178.4	-169.3	166.9	0	108.7	M74 E79 V128 S129 Y130 F158 A159 V161	M74-K120 WeakPolarHBondContact O-CD 3.49Å; M74-K120 WeakPolarHBondContact O-CE 3.48Å; M74-K120 PolarHBondContact O-NZ 3.42Å; E79-K120 IonicContact OE1-NZ 3.21Å; E79-K120 IonicContact OE2-NZ 2.94Å; E79-K120 PolarHBondContact OE2-NZ 2.82Å; K120-V128 HydrophobicContact CD-CG1 4.26Å; K120-V128 VanDerWaalsContact CE-CG1 3.41Å; K120-V128 HydrophobicContact CG-CG1 3.9Å; K120-S129 WeakPolarHBondContact CA-O 3.26Å; K120-Y130 HydrophobicContact CB-CD1 4.32Å; K120-Y130 HydrophobicContact CB-CE1 4.21Å; K120-Y130 HydrophobicContact CD-CE1 4.05Å; K120-Y130 WeakPolarHBondContact CE-OH 3.29Å; K120-Y130 HydrophobicContact CG-CD1 4.33Å; K120-Y130 HydrophobicContact CG-CE1 3.91Å; K120-F158 WeakPolarHBondContact O-CA 3.04Å; K120-A159 PolarHBondContact N-O 2.69Å; K120-A159 PolarHBondContact O-N 3.02Å; K120-V161 HydrophobicContact CB-CG1 4.37Å; K120-V161 HydrophobicContact CB-CG2 4.19Å
121	V	94.4	Very high	90.1	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.7	177.9	-171.9	0	0	0	0	108.1	V119 V128 S129 I131 I157 F158	V119-V121 HydrophobicContact CG1-CG2 4.2Å; V121-V128 CarbonylContact O-C 3.57Å; V121-V128 WeakPolarHBondContact O-CA 3.5Å; V121-S129 PolarHBondContact N-O 3.22Å; V121-S129 PolarHBondContact O-N 2.87Å; V121-I131 HydrophobicContact CG2-CD1 3.95Å; V121-I157 CarbonylContact C-O 3.51Å; V121-I157 WeakPolarHBondContact CA-O 3.37Å; V121-F158 HydrophobicContact CB-CD1 4.24Å; V121-F158 HydrophobicContact CB-CE1 4.08Å; V121-F158 HydrophobicContact CG1-CD1 3.93Å; V121-F158 HydrophobicContact CG1-CE1 3.39Å; V121-F158 HydrophobicContact CG1-CZ 3.77Å; V121-F158 HydrophobicContact CG2-CD1 3.59Å; V121-F158 HydrophobicContact CG2-CE1 3.58Å
122	V	93.4	Very high	90.6	Very high	13 Å²	13	60.7 Å²	60.7	8%	0.079	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	110.9	171.4	-178.1	0	0	0	0	106.6	M74 E126 R127 V128 G156 I157	M74-V122 HydrophobicContact CE-CG2 3.85Å; M74-V122 HydrophobicContact SD-CG2 3.8Å; V122-E126 HydrophobicContact CG1-CB 4.47Å; V122-R127 WeakPolarHBondContact CA-O 3.28Å; V122-V128 HydrophobicContact CG2-CG2 4.28Å; V122-G156 CarbonylContact O-C 3.58Å; V122-G156 WeakPolarHBondContact O-CA 3.42Å; V122-I157 HydrophobicContact CB-CB 4.36Å; V122-I157 PolarHBondContact N-O 3.5Å; V122-I157 PolarHBondContact O-N 3.11Å
123	D	90.1	Very high	91.1	Very high	33 Å²	33	59.3 Å²	59.3	18%	0.176	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-178.6	179.8	69.2	17.3	0	0	0	112.2	E125 E126 R127 L155	D123-E125 PolarHBondContact O-N 3.29Å; D123-E125 VanDerWaalsContact OD1-C 3.24Å; D123-E125 WeakPolarHBondContact OD1-CA 3.5Å; D123-E125 PolarHBondContact OD1-N 3.28Å; D123-E126 PolarHBondContact O-N 3.04Å; D123-E126 VanDerWaalsContact O-N 3.11Å; D123-E126 PolarHBondContact OD1-N 3.07Å; D123-R127 PolarHBondContact N-O 2.99Å; D123-R127 VanDerWaalsContact N-O 3.1Å; D123-R127 WeakPolarHBondContact OD1-CB 3.28Å; D123-R127 PolarHBondContact OD1-N 3.05Å; D123-R127 WeakPolarHBondContact OD2-CB 3.45Å; D123-L155 WeakPolarHBondContact CA-O 3.45Å
124	E	83.9	Confident	91.2	Very high	146 Å²	146	59.6 Å²	59.6	68%	0.682	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-25.4	179.1	-61.7	-171.8	158.6	0	0	113.1	E126	E124-E126 PolarHBondContact O-N 3.18Å
125	E	85.8	Confident	90.7	Very high	132 Å²	132	62 Å²	62	62%	0.617	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	10.9	174	-61	-177.8	-164.5	0	0	112.6	D123 R127	D123-E125 PolarHBondContact O-N 3.29Å; D123-E125 VanDerWaalsContact OD1-C 3.24Å; D123-E125 WeakPolarHBondContact OD1-CA 3.5Å; D123-E125 PolarHBondContact OD1-N 3.28Å; E125-R127 HydrophobicContact CB-CG 4.14Å; E125-R127 PolarHBondContact O-N 2.92Å; E125-R127 IonicContact OE2-CZ 2.97Å; E125-R127 IonicContact OE2-NE 3.13Å; E125-R127 PolarHBondContact OE2-NE 2.84Å; E125-R127 IonicContact OE2-NH2 3.74Å; E125-R127 PolarHBondContact OE2-NH2 2.95Å
126	E	84.7	Confident	89.5	Confident	109 Å²	109	60.7 Å²	60.7	51%	0.509	33%	0.326	S	S	.	.			trans	62.4	18.1	-178.2	-47.2	-157.8	129	0	0	115.5	V122 D123 E124 V128 R492	V122-E126 HydrophobicContact CG1-CB 4.47Å; D123-E126 PolarHBondContact O-N 3.04Å; D123-E126 VanDerWaalsContact O-N 3.11Å; D123-E126 PolarHBondContact OD1-N 3.07Å; E124-E126 PolarHBondContact O-N 3.18Å; E126-V128 PolarHBondContact O-N 3.15Å; E126-R492 WeakPolarHBondContact OE1-CD 3.35Å; E126-R492 IonicContact OE1-CZ 3.92Å; E126-R492 IonicContact OE1-NE 3.67Å; E126-R492 IonicContact OE1-NH1 2.66Å; E126-R492 PolarHBondContact OE1-NH1 2.83Å
127	R	90.3	Very high	88.2	Confident	157 Å²	157	64.2 Å²	64.2	59%	0.592	34%	0.342	S	S	*	.			trans	-74.8	131.2	174	-48.5	177.3	-177.5	-167.2	0.5	109.3	V122 D123 E125	V122-R127 WeakPolarHBondContact CA-O 3.28Å; D123-R127 PolarHBondContact N-O 2.99Å; D123-R127 VanDerWaalsContact N-O 3.1Å; D123-R127 WeakPolarHBondContact OD1-CB 3.28Å; D123-R127 PolarHBondContact OD1-N 3.05Å; D123-R127 WeakPolarHBondContact OD2-CB 3.45Å; E125-R127 HydrophobicContact CB-CG 4.14Å; E125-R127 PolarHBondContact O-N 2.92Å; E125-R127 IonicContact OE2-CZ 2.97Å; E125-R127 IonicContact OE2-NE 3.13Å; E125-R127 PolarHBondContact OE2-NE 2.84Å; E125-R127 IonicContact OE2-NH2 3.74Å; E125-R127 PolarHBondContact OE2-NH2 2.95Å
128	V	92.4	Very high	86.5	Confident	77 Å²	77	68.2 Å²	68.2	47%	0.467	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	127.3	-179.3	-175.5	0	0	0	0	109.7	K120 V121 V122 E126 Y130	K120-V128 HydrophobicContact CD-CG1 4.26Å; K120-V128 VanDerWaalsContact CE-CG1 3.41Å; K120-V128 HydrophobicContact CG-CG1 3.9Å; V121-V128 CarbonylContact O-C 3.57Å; V121-V128 WeakPolarHBondContact O-CA 3.5Å; V122-V128 HydrophobicContact CG2-CG2 4.28Å; E126-V128 PolarHBondContact O-N 3.15Å; V128-Y130 HydrophobicContact CG1-CD2 4.47Å; V128-Y130 HydrophobicContact CG1-CE2 3.74Å
129	S	92.8	Very high	84.6	Confident	47 Å²	47	72.2 Å²	72.2	33%	0.329	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	154.9	170	64.2	0	0	0	0	111.4	K120 V121	K120-S129 WeakPolarHBondContact CA-O 3.26Å; V121-S129 PolarHBondContact N-O 3.22Å; V121-S129 PolarHBondContact O-N 2.87Å
130	Y	93.6	Very high	82.7	Confident	93 Å²	93	73.4 Å²	73.4	37%	0.365	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.2	178.9	-63	-92.9	0	0	0	109	E79 A118 V119 K120 V128 V161 R163	E79-Y130 WeakPolarHBondContact OE1-CE1 3.4Å; E79-Y130 PolarHBondContact OE1-OH 2.79Å; A118-Y130 HydrophobicContact CB-CD1 4.43Å; V119-Y130 WeakPolarHBondContact O-CA 3.4Å; K120-Y130 HydrophobicContact CB-CD1 4.32Å; K120-Y130 HydrophobicContact CB-CE1 4.21Å; K120-Y130 HydrophobicContact CD-CE1 4.05Å; K120-Y130 WeakPolarHBondContact CE-OH 3.29Å; K120-Y130 HydrophobicContact CG-CD1 4.33Å; K120-Y130 HydrophobicContact CG-CE1 3.91Å; V128-Y130 HydrophobicContact CG1-CD2 4.47Å; V128-Y130 HydrophobicContact CG1-CE2 3.74Å; Y130-V161 HydrophobicContact CE1-CG2 4.43Å; Y130-R163 VanDerWaalsContact CD1-NH1 3.31Å; Y130-R163 VanDerWaalsContact CG-NH1 3.32Å
131	I	93.8	Very high	80.9	Confident	51 Å²	51	75.9 Å²	75.9	26%	0.262	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.4	-179.6	-54.2	174.3	0	0	0	108	V119 V121 P133 V150 V152	V119-I131 PolarHBondContact N-O 2.87Å; V119-I131 PolarHBondContact O-N 3.01Å; V121-I131 HydrophobicContact CG2-CD1 3.95Å; I131-P133 VanDerWaalsContact O-CD 3.31Å; I131-P133 WeakPolarHBondContact O-CD 3.42Å; I131-V150 HydrophobicContact CB-CG1 4.07Å; I131-V150 HydrophobicContact CG2-CB 4.09Å; I131-V150 HydrophobicContact CG2-CG1 3.67Å; I131-V152 HydrophobicContact CD1-CG1 3.82Å
132	A	92.6	Very high	79.2	Confident	89 Å²	89	79 Å²	79	74%	0.736	45%	0.448	S	S	*	.			trans	-69.3	117.6	171.4	0	0	0	0	0	109
133	P	91.9	Very high	77.6	Confident	22 Å²	22	79 Å²	79	14%	0.143	45%	0.448	C	S	.	.			trans	-77.5	150	-178.9	29.2	-31.4	0	0	0	111.9	V117 V119 I131 T135 A148 E149 V150	V117-P133 HydrophobicContact CG1-CG 4.19Å; V117-P133 VanDerWaalsContact O-CD 3.29Å; V117-P133 WeakPolarHBondContact O-CD 3.33Å; V119-P133 HydrophobicContact CG2-CB 3.99Å; V119-P133 HydrophobicContact CG2-CG 4.32Å; I131-P133 VanDerWaalsContact O-CD 3.31Å; I131-P133 WeakPolarHBondContact O-CD 3.42Å; P133-T135 HydrophobicContact CG-CG2 4.04Å; P133-T135 PolarHBondContact O-N 3.05Å; P133-A148 HydrophobicContact CB-CB 3.71Å; P133-A148 HydrophobicContact CG-CB 4.09Å; P133-E149 WeakPolarHBondContact CA-O 3.46Å; P133-V150 HydrophobicContact CB-CG1 3.94Å
134	A	88.2	Confident	76.5	Confident	61 Å²	61	86 Å²	86	50%	0.504	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	101.8	155	0	0	0	0	0	107.2	T136 E149	A134-T136 PolarHBondContact O-N 2.9Å; A134-E149 PolarHBondContact N-O 2.91Å; A134-E149 PolarHBondContact O-N 3.45Å
135	T	77.3	Confident	76.2	Confident	87 Å²	87	80.4 Å²	80.4	53%	0.534	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	116.7	177.1	53.5	0	0	0	0	109.4	F106 P133 F147	F106-T135 HydrophobicContact CE1-CG2 4.35Å; F106-T135 HydrophobicContact CZ-CG2 4.04Å; P133-T135 HydrophobicContact CG-CG2 4.04Å; P133-T135 PolarHBondContact O-N 3.05Å; T135-F147 WeakPolarHBondContact CA-O 3.45Å
136	T	64.9	Low	76.1	Confident	30 Å²	30	75.7 Å²	75.7	18%	0.184	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.3	175.6	45.9	0	0	0	0	109	A134 E138 H140 F147	A134-T136 PolarHBondContact O-N 2.9Å; T136-E138 PolarHBondContact O-N 2.88Å; T136-H140 PolarHBondContact OG1-CE1 2.6Å; T136-F147 PolarHBondContact N-O 2.86Å; T136-F147 VanDerWaalsContact N-O 3.07Å; T136-F147 PolarHBondContact O-N 2.88Å
137	E	64.2	Low	76.2	Confident	143 Å²	143	70.6 Å²	70.6	67%	0.668	42%	0.415	S	S	*	.			trans	-87	42.4	164.8	-65.7	-167.9	167.9	0	0	109.3	R111	R111-E137 IonicContact NH2-OE1 3.66Å; R111-E137 PolarHBondContact NH2-OE1 2.9Å
138	E	57.2	Low	76.3	Confident	124 Å²	124	63.1 Å²	63.1	58%	0.579	39%	0.387	S	S	*	.	S	Bend	trans	-101	167.3	-174.9	-70.7	-169	177.8	0	0	112.3	T136 H140	T136-E138 PolarHBondContact O-N 2.88Å; E138-H140 PolarHBondContact O-N 2.85Å
139	V	55.2	Low	76.2	Confident	90 Å²	90	61.7 Å²	61.7	55%	0.545	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	84.8	175.7	-178.5	0	0	0	0	108.9	G141 Q143 K144	V139-G141 PolarHBondContact O-N 2.66Å; V139-Q143 VanDerWaalsContact CA-O 3.27Å; V139-Q143 WeakPolarHBondContact CA-O 3.43Å; V139-K144 HydrophobicContact CG2-CB 4.49Å
140	H	54.4	Low	76.2	Confident	26 Å²	26	59.7 Å²	59.7	12%	0.12	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	116.5	172.1	-78.5	58.4	0	0	0	109.4	F54 T136 E138 G142 Q143 F147 E149	F54-H140 HydrophobicContact CD2-CB 3.83Å; F54-H140 HydrophobicContact CE2-CB 3.62Å; F54-H140 HydrophobicContact CZ-CB 4.19Å; F54-H140 VanDerWaalsContact CZ-O 3.28Å; F54-H140 WeakPolarHBondContact CZ-O 3.43Å; T136-H140 PolarHBondContact OG1-CE1 2.6Å; E138-H140 PolarHBondContact O-N 2.85Å; H140-G142 VanDerWaalsContact C-N 3.26Å; H140-G142 PolarHBondContact O-N 2.84Å; H140-Q143 PolarHBondContact N-O 2.85Å; H140-Q143 PolarHBondContact O-N 2.78Å; H140-Q143 VanDerWaalsContact O-N 3.11Å; H140-F147 HydrophobicContact CB-CD1 4.48Å; H140-F147 HydrophobicContact CB-CD2 4.02Å; H140-F147 HydrophobicContact CB-CE1 4.33Å; H140-F147 HydrophobicContact CB-CE2 3.87Å; H140-F147 HydrophobicContact CB-CG 4.33Å; H140-F147 HydrophobicContact CB-CZ 4.03Å; H140-F147 AromaticContact ND1-CD2 3.8Å; H140-E149 IonicContact CE1-OE2 2.76Å; H140-E149 IonicContact NE2-OE2 3.89Å; H140-E149 PolarHBondContact NE2-OE2 2.92Å; H140-E149 VanDerWaalsContact NE2-OE2 3.13Å
141	G	57.3	Low	76.2	Confident	62 Å²	62	61.7 Å²	61.7	64%	0.639	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	25.1	175.8	0	0	0	0	0	115.4	V139	V139-G141 PolarHBondContact O-N 2.66Å
142	G	59.4	Low	76	Confident	66 Å²	66	59.3 Å²	59.3	68%	0.68	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	1.4	-177	0	0	0	0	0	115.1	H140	H140-G142 VanDerWaalsContact C-N 3.26Å; H140-G142 PolarHBondContact O-N 2.84Å
143	Q	60.3	Low	75.9	Confident	14 Å²	14	62.8 Å²	62.8	7%	0.065	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.5	179.2	-68.2	177.1	-36.4	0	0	112	A49 A52 V139 H140	A49-Q143 WeakPolarHBondContact O-CG 3.37Å; A49-Q143 PolarHBondContact O-NE2 3.36Å; A52-Q143 VanDerWaalsContact CB-OE1 3.31Å; V139-Q143 VanDerWaalsContact CA-O 3.27Å; V139-Q143 WeakPolarHBondContact CA-O 3.43Å; H140-Q143 PolarHBondContact N-O 2.85Å; H140-Q143 PolarHBondContact O-N 2.78Å; H140-Q143 VanDerWaalsContact O-N 3.11Å
144	K	67.1	Low	75.7	Confident	181 Å²	181	63.8 Å²	63.8	79%	0.787	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	123.3	174.1	-169.8	176.6	-178.1	178.4	0	109.7	V139	V139-K144 HydrophobicContact CG2-CB 4.49Å
145	G	76	Confident	75.8	Confident	28 Å²	28	61.6 Å²	61.6	29%	0.289	34%	0.342	S	S	.	.	S	Bend	trans	-177.1	176.7	179.6	0	0	0	0	0	112.5
146	C	84.6	Confident	76.4	Confident	32 Å²	32	57.7 Å²	57.7	22%	0.216	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.4	170.4	-65.2	0	0	0	0	109.1	F106	F106-C146 HydrophobicContact CD1-CB 4.14Å; F106-C146 WeakPolarHBondContact CD1-O 3.36Å; F106-C146 HydrophobicContact CE1-CB 3.75Å; F106-C146 HydrophobicContact CE2-CB 4.2Å; F106-C146 HydrophobicContact CZ-CB 3.78Å; F106-C146 PolarHBondContact N-O 2.8Å
147	F	87.8	Confident	77.8	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.009	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.1	177.1	-66.9	-86.7	0	0	0	110.8	F54 P105 T135 T136 H140	F54-F147 HydrophobicContact CD2-CD1 4.25Å; F54-F147 AromaticContact CD2-CE1 3.81Å; F54-F147 HydrophobicContact CD2-CE1 3.81Å; F54-F147 HydrophobicContact CD2-CZ 4.45Å; F54-F147 HydrophobicContact CE2-CD1 4.42Å; F54-F147 AromaticContact CE2-CE1 3.57Å; F54-F147 HydrophobicContact CE2-CE1 3.57Å; F54-F147 AromaticContact CE2-CZ 3.82Å; F54-F147 HydrophobicContact CE2-CZ 3.82Å; P105-F147 HydrophobicContact CB-CD1 4.1Å; P105-F147 HydrophobicContact CB-CE1 3.76Å; P105-F147 HydrophobicContact CB-CZ 4.5Å; P105-F147 HydrophobicContact CG-CE1 4.46Å; T135-F147 WeakPolarHBondContact CA-O 3.45Å; T136-F147 PolarHBondContact N-O 2.86Å; T136-F147 VanDerWaalsContact N-O 3.07Å; T136-F147 PolarHBondContact O-N 2.88Å; H140-F147 HydrophobicContact CB-CD1 4.48Å; H140-F147 HydrophobicContact CB-CD2 4.02Å; H140-F147 HydrophobicContact CB-CE1 4.33Å; H140-F147 HydrophobicContact CB-CE2 3.87Å; H140-F147 HydrophobicContact CB-CG 4.33Å; H140-F147 HydrophobicContact CB-CZ 4.03Å; H140-F147 AromaticContact ND1-CD2 3.8Å
148	A	91.1	Very high	79.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	99.4	171.7	0	0	0	0	0	108.1	A103 V104 F106 V119 P133 V160	A103-A148 WeakPolarHBondContact CA-O 3.5Å; V104-A148 PolarHBondContact N-O 2.75Å; V104-A148 PolarHBondContact O-N 2.52Å; F106-A148 HydrophobicContact CD1-CB 3.83Å; F106-A148 HydrophobicContact CE1-CB 3.91Å; V119-A148 HydrophobicContact CG2-CB 3.86Å; P133-A148 HydrophobicContact CB-CB 3.71Å; P133-A148 HydrophobicContact CG-CB 4.09Å; A148-V160 HydrophobicContact CB-CG1 4.06Å; A148-V160 HydrophobicContact CB-CG2 3.68Å
149	E	91.6	Very high	81	Confident	47 Å²	47	43.8 Å²	43.8	22%	0.22	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.7	179.8	-171	173	141.4	0	0	110.8	T101 V102 A103 P133 A134 H140	T101-E149 HydrophobicContact CG2-CG 3.51Å; T101-E149 WeakPolarHBondContact CG2-OE1 3.15Å; V102-E149 WeakPolarHBondContact O-CA 3.36Å; A103-E149 HydrophobicContact CB-CB 4.33Å; A103-E149 HydrophobicContact CB-CG 4.37Å; P133-E149 WeakPolarHBondContact CA-O 3.46Å; A134-E149 PolarHBondContact N-O 2.91Å; A134-E149 PolarHBondContact O-N 3.45Å; H140-E149 IonicContact CE1-OE2 2.76Å; H140-E149 IonicContact NE2-OE2 3.89Å; H140-E149 PolarHBondContact NE2-OE2 2.92Å; H140-E149 VanDerWaalsContact NE2-OE2 3.13Å
150	V	92.5	Very high	82.9	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.03	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.8	177.5	-70.2	0	0	0	0	111.4	T101 V102 V119 I131 P133 V152	T101-V150 CarbonylContact C-O 3.58Å; T101-V150 WeakPolarHBondContact CA-O 3.33Å; V102-V150 HydrophobicContact CB-CG2 4.21Å; V102-V150 PolarHBondContact N-O 2.81Å; V102-V150 PolarHBondContact O-N 3.22Å; V119-V150 HydrophobicContact CB-CG1 3.9Å; V119-V150 HydrophobicContact CB-CG2 4.27Å; V119-V150 HydrophobicContact CG1-CG2 4.06Å; V119-V150 HydrophobicContact CG2-CG1 3.56Å; V119-V150 HydrophobicContact CG2-CG2 4.19Å; I131-V150 HydrophobicContact CB-CG1 4.07Å; I131-V150 HydrophobicContact CG2-CB 4.09Å; I131-V150 HydrophobicContact CG2-CG1 3.67Å; P133-V150 HydrophobicContact CB-CG1 3.94Å; V150-V152 HydrophobicContact CB-CG1 4.24Å; V150-V152 HydrophobicContact CG2-CG1 3.73Å
151	K	92	Very high	84.8	Confident	135 Å²	135	38.2 Å²	38.2	59%	0.587	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.2	167.4	-68.9	-179.7	-178	175.8	0	108.7	P99 V100	P99-K151 HydrophobicContact CB-CB 4.38Å; V100-K151 CarbonylContact O-C 3.55Å; V100-K151 WeakPolarHBondContact O-CA 3.45Å
152	V	90.9	Very high	86.6	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.9	-172	-58.4	0	0	0	0	110.3	F98 P99 V100 V102 I131 V150 F158	F98-V152 WeakPolarHBondContact CD1-O 3.2Å; P99-V152 WeakPolarHBondContact CA-O 3.14Å; V100-V152 HydrophobicContact CB-CG2 3.75Å; V100-V152 HydrophobicContact CG1-CG2 4.45Å; V100-V152 PolarHBondContact N-O 3.39Å; V100-V152 WeakPolarHBondContact O-CG2 3.41Å; V100-V152 PolarHBondContact O-N 2.83Å; V102-V152 HydrophobicContact CG2-CG2 3.88Å; I131-V152 HydrophobicContact CD1-CG1 3.82Å; V150-V152 HydrophobicContact CB-CG1 4.24Å; V150-V152 HydrophobicContact CG2-CG1 3.73Å; V152-F158 HydrophobicContact CB-CE1 4.17Å; V152-F158 HydrophobicContact CG1-CD1 4.5Å; V152-F158 HydrophobicContact CG1-CE1 3.71Å; V152-F158 HydrophobicContact CG2-CE1 4.08Å; V152-F158 HydrophobicContact CG2-CZ 4.13Å
153	Y	89.7	Confident	88.1	Confident	162 Å²	162	34.6 Å²	34.6	64%	0.635	17%	0.167	S	C	*	.	S	Bend	trans	-115.5	2.3	-179.7	-63.7	-88	0	0	0	112.6	F98 P99	F98-Y153 HydrophobicContact CB-CD1 3.94Å; F98-Y153 VanDerWaalsContact CE1-C 3.41Å; F98-Y153 WeakPolarHBondContact CE1-O 3.43Å; F98-Y153 WeakPolarHBondContact CZ-O 3.34Å; P99-Y153 HydrophobicContact CB-CD1 4.26Å; P99-Y153 HydrophobicContact CB-CE1 3.76Å; P99-Y153 HydrophobicContact CB-CE2 4.46Å; P99-Y153 HydrophobicContact CG-CE1 4.3Å
154	S	88.7	Confident	89.5	Confident	42 Å²	42	35 Å²	35	29%	0.294	17%	0.171	S	C	.	.	S	Bend	trans	-134.6	150.2	171.1	56	0	0	0	0	108.8
155	L	88.9	Confident	90.7	Very high	16 Å²	16	29.4 Å²	29.4	8%	0.084	15%	0.147	C	C	.	.			trans	-99.3	168.5	173.7	-65.2	179.8	0	0	0	109.7	L62 V88 V90 F98 V100 D123	L62-L155 HydrophobicContact CD2-CD1 3.93Å; L62-L155 HydrophobicContact CD2-CD2 4.49Å; V88-L155 HydrophobicContact CB-CD2 4.32Å; V88-L155 HydrophobicContact CG1-CD2 3.82Å; V90-L155 HydrophobicContact CG2-CD1 3.36Å; F98-L155 HydrophobicContact CE1-CD2 4.35Å; F98-L155 HydrophobicContact CE1-CG 4.14Å; F98-L155 HydrophobicContact CZ-CG 4.11Å; V100-L155 HydrophobicContact CG2-CD2 4Å; D123-L155 WeakPolarHBondContact CA-O 3.45Å
156	G	91.2	Very high	91.4	Very high	5 Å²	5	32.7 Å²	32.7	5%	0.052	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.2	-141.9	-175.3	0	0	0	0	0	112.7	R87 V88 V122 F158	R87-G156 CarbonylContact C-O 3.59Å; R87-G156 WeakPolarHBondContact CA-O 3.31Å; V88-G156 PolarHBondContact N-O 2.92Å; V88-G156 PolarHBondContact O-N 3.09Å; V88-G156 VanDerWaalsContact O-N 3.17Å; V122-G156 CarbonylContact O-C 3.58Å; V122-G156 WeakPolarHBondContact O-CA 3.42Å; G156-F158 WeakPolarHBondContact O-CD2 3.02Å; G156-F158 VanDerWaalsContact O-CE2 3.31Å; G156-F158 WeakPolarHBondContact O-CE2 3.44Å
157	I	93.3	Very high	91.8	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.9	-179	-56.2	176.1	0	0	0	109.9	L70 M74 V85 I86 R87 V121 V122	L70-I157 HydrophobicContact CD1-CD1 3.44Å; L70-I157 VanDerWaalsContact CD1-CD1 3.44Å; M74-I157 HydrophobicContact CE-CB 4.37Å; M74-I157 HydrophobicContact CE-CG2 3.72Å; M74-I157 HydrophobicContact CG-CG2 4.3Å; M74-I157 HydrophobicContact SD-CB 4.28Å; M74-I157 HydrophobicContact SD-CG2 3.59Å; M74-I157 VanDerWaalsContact SD-CG2 3.59Å; V85-I157 HydrophobicContact CG1-CG2 3.22Å; I86-I157 CarbonylContact O-C 3.58Å; I86-I157 WeakPolarHBondContact O-CA 3.41Å; R87-I157 HydrophobicContact CB-CG1 4.47Å; R87-I157 HydrophobicContact CG-CG1 4.44Å; V121-I157 CarbonylContact C-O 3.51Å; V121-I157 WeakPolarHBondContact CA-O 3.37Å; V122-I157 HydrophobicContact CB-CB 4.36Å; V122-I157 PolarHBondContact N-O 3.5Å; V122-I157 PolarHBondContact O-N 3.11Å
158	F	94.1	Very high	92	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.5	-178.1	-56.8	-97.9	0	0	0	110	I86 V88 V102 V119 K120 V121 V152 G156	I86-F158 HydrophobicContact CD1-CB 4.26Å; I86-F158 HydrophobicContact CG1-CB 3.77Å; I86-F158 PolarHBondContact N-O 3.42Å; I86-F158 PolarHBondContact O-N 3.46Å; V88-F158 HydrophobicContact CB-CD2 4.27Å; V88-F158 HydrophobicContact CB-CE2 3.83Å; V88-F158 HydrophobicContact CG2-CD2 3.81Å; V88-F158 HydrophobicContact CG2-CE2 3.83Å; V102-F158 HydrophobicContact CG2-CE1 4.47Å; V119-F158 HydrophobicContact CG1-CD1 4.31Å; K120-F158 WeakPolarHBondContact O-CA 3.04Å; V121-F158 HydrophobicContact CB-CD1 4.24Å; V121-F158 HydrophobicContact CB-CE1 4.08Å; V121-F158 HydrophobicContact CG1-CD1 3.93Å; V121-F158 HydrophobicContact CG1-CE1 3.39Å; V121-F158 HydrophobicContact CG1-CZ 3.77Å; V121-F158 HydrophobicContact CG2-CD1 3.59Å; V121-F158 HydrophobicContact CG2-CE1 3.58Å; V152-F158 HydrophobicContact CB-CE1 4.17Å; V152-F158 HydrophobicContact CG1-CD1 4.5Å; V152-F158 HydrophobicContact CG1-CE1 3.71Å; V152-F158 HydrophobicContact CG2-CE1 4.08Å; V152-F158 HydrophobicContact CG2-CZ 4.13Å; G156-F158 WeakPolarHBondContact O-CD2 3.02Å; G156-F158 VanDerWaalsContact O-CE2 3.31Å; G156-F158 WeakPolarHBondContact O-CE2 3.44Å
159	A	94.8	Very high	92.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	142	172.1	0	0	0	0	0	110.1	M74 L81 V85 V119 K120	M74-A159 HydrophobicContact CB-CB 4.18Å; M74-A159 HydrophobicContact CE-CB 3.58Å; M74-A159 HydrophobicContact CG-CB 4.39Å; L81-A159 HydrophobicContact CD1-CB 3.71Å; V85-A159 HydrophobicContact CG2-CB 4.25Å; V119-A159 WeakPolarHBondContact CA-O 3.41Å; K120-A159 PolarHBondContact N-O 2.69Å; K120-A159 PolarHBondContact O-N 3.02Å
160	V	95	Very high	92.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	124.8	170.4	-167.8	0	0	0	0	108.1	V82 S83 V104 F106 V117 A118 V119 A148	V82-V160 HydrophobicContact CG2-CB 3.86Å; V82-V160 HydrophobicContact CG2-CG1 3.57Å; V82-V160 VanDerWaalsContact CG2-O 3.22Å; V82-V160 WeakPolarHBondContact CG2-O 3.27Å; V82-V160 PolarHBondContact N-O 3.34Å; S83-V160 PolarHBondContact N-O 2.82Å; S83-V160 PolarHBondContact OG-N 3.06Å; V104-V160 HydrophobicContact CB-CG2 3.61Å; V104-V160 HydrophobicContact CG1-CG2 3.72Å; V104-V160 HydrophobicContact CG2-CG2 4.44Å; F106-V160 HydrophobicContact CB-CB 3.97Å; F106-V160 HydrophobicContact CB-CG1 3.98Å; F106-V160 HydrophobicContact CB-CG2 4.12Å; F106-V160 HydrophobicContact CD1-CG1 4.25Å; F106-V160 HydrophobicContact CD2-CG1 4.29Å; F106-V160 HydrophobicContact CG-CB 4.45Å; F106-V160 HydrophobicContact CG-CG1 3.93Å; V117-V160 HydrophobicContact CG1-CG1 3.32Å; A118-V160 WeakPolarHBondContact O-CA 3.36Å; V119-V160 HydrophobicContact CG2-CG2 4.41Å; A148-V160 HydrophobicContact CB-CG1 4.06Å; A148-V160 HydrophobicContact CB-CG2 3.68Å
161	V	95.3	Very high	92.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.5	-179.5	-61.3	0	0	0	0	110.5	A75 E80 L81 V117 A118 K120 Y130	A75-V161 HydrophobicContact CB-CG1 4.36Å; E80-V161 CarbonylContact O-C 3.59Å; E80-V161 WeakPolarHBondContact O-CA 3.23Å; L81-V161 HydrophobicContact CD1-CG1 4.12Å; V117-V161 WeakPolarHBondContact CA-O 3.32Å; A118-V161 HydrophobicContact CB-CG2 4.43Å; A118-V161 PolarHBondContact N-O 3.32Å; A118-V161 PolarHBondContact O-N 3.3Å; K120-V161 HydrophobicContact CB-CG1 4.37Å; K120-V161 HydrophobicContact CB-CG2 4.19Å; Y130-V161 HydrophobicContact CE1-CG2 4.43Å
162	S	93.7	Very high	92.4	Very high	5 Å²	5	36.8 Å²	36.8	4%	0.035	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	116.7	167.8	170.2	0	0	0	0	108.2	E79 E80 R115 E116	E79-S162 CarbonylContact C-O 3.02Å; E80-S162 PolarHBondContact N-O 3.05Å; E80-S162 PolarHBondContact O-N 3.48Å; R115-S162 WeakPolarHBondContact CD-OG 3.2Å; R115-S162 PolarHBondContact NH1-O 3.3Å; E116-S162 WeakPolarHBondContact O-CA 3.49Å
163	R	91.7	Very high	92.4	Very high	47 Å²	47	44.2 Å²	44.2	18%	0.177	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	158.9	-175.6	60.6	177.1	-71.1	162.2	2.9	110.8	E79 R115 E116 A118 Y130 K165	E79-R163 HydrophobicContact CG-CB 4.46Å; R115-R163 CarbonylContact C-O 3.56Å; R115-R163 WeakPolarHBondContact CA-O 3.29Å; R115-R163 WeakPolarHBondContact CB-O 3.47Å; E116-R163 HydrophobicContact CG-CG 3.82Å; E116-R163 PolarHBondContact N-O 3.11Å; E116-R163 PolarHBondContact O-N 3.18Å; E116-R163 IonicContact OE1-NE 2.78Å; A118-R163 HydrophobicContact CB-CG 4.45Å; Y130-R163 VanDerWaalsContact CD1-NH1 3.31Å; Y130-R163 VanDerWaalsContact CG-NH1 3.32Å; R163-K165 PolarHBondContact O-N 3.27Å
164	P	90.2	Very high	92.5	Very high	23 Å²	23	44.7 Å²	44.7	15%	0.149	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	131.6	170.9	-23.9	34.5	0	0	0	110.6	S78 R166	S78-P164 WeakPolarHBondContact OG-CG 3.48Å; P164-R166 PolarHBondContact O-N 2.9Å
165	K	91.6	Very high	92.6	Very high	63 Å²	63	43.2 Å²	43.2	27%	0.274	20%	0.2	S	C	.	.			trans	-68.4	127.7	-179.1	-175.2	174	-178.6	-179.3	0	109.7	H114 E116 R163	H114-K165 WeakPolarHBondContact O-CB 3.22Å; H114-K165 PolarHBondContact O-N 2.81Å; E116-K165 HydrophobicContact CB-CB 4.32Å; E116-K165 HydrophobicContact CB-CG 4.35Å; E116-K165 HydrophobicContact CG-CB 4.41Å; R163-K165 PolarHBondContact O-N 3.27Å
166	R	91.2	Very high	92.9	Very high	97 Å²	97	44.6 Å²	44.6	37%	0.366	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112.1	176.8	-172.6	-177.8	-171.6	172.8	6.4	109.9	P164 Q202 M204	P164-R166 PolarHBondContact O-N 2.9Å; R166-Q202 HydrophobicContact CG-CB 4.33Å; R166-Q202 VanDerWaalsContact NH2-CD 3.26Å; R166-M204 HydrophobicContact CB-CG 3.91Å; R166-M204 HydrophobicContact CB-SD 4.14Å; R166-M204 HydrophobicContact CG-CG 3.97Å; R166-M204 HydrophobicContact CG-SD 4.29Å
167	E	91.9	Very high	93.1	Very high	48 Å²	48	48.5 Å²	48.5	22%	0.224	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	124.3	175.5	-170.3	62.2	-157.8	0	0	109.4	Y169 P181 M182 Q202 T203	E167-Y169 HydrophobicContact CG-CD1 4.43Å; E167-P181 HydrophobicContact CG-CG 4.46Å; E167-M182 HydrophobicContact CB-CE 4.13Å; E167-M182 HydrophobicContact CB-SD 4.4Å; E167-Q202 VanDerWaalsContact O-CB 3.27Å; E167-Q202 WeakPolarHBondContact O-CB 3.4Å; E167-T203 PolarHBondContact N-O 3.38Å; E167-T203 PolarHBondContact O-N 3.11Å
168	M	92.6	Very high	93.2	Very high	101 Å²	101	49.6 Å²	49.6	50%	0.498	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128	175.2	-57.1	-161.9	-172.1	0	0	109.8	Q202	M168-Q202 HydrophobicContact CB-CB 4.49Å; M168-Q202 HydrophobicContact CB-CG 4.2Å; M168-Q202 HydrophobicContact CG-CB 4.06Å; M168-Q202 HydrophobicContact CG-CG 3.72Å; M168-Q202 HydrophobicContact SD-CG 4.21Å
169	Y	93.8	Very high	93.2	Very high	19 Å²	19	56.3 Å²	56.3	8%	0.075	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	157.5	179.7	54.1	-87.4	0	0	0	111.1	E167 V171 L176 L178 L188 Y190 A201 T203	E167-Y169 HydrophobicContact CG-CD1 4.43Å; Y169-V171 HydrophobicContact CD2-CG2 3.85Å; Y169-V171 HydrophobicContact CE2-CG2 3.73Å; Y169-L176 HydrophobicContact CD2-CD2 3.76Å; Y169-L176 HydrophobicContact CE2-CD2 4.35Å; Y169-L178 HydrophobicContact CD1-CD2 3.39Å; Y169-L178 HydrophobicContact CD2-CD2 3.72Å; Y169-L178 HydrophobicContact CE1-CD2 3.55Å; Y169-L178 HydrophobicContact CE2-CD2 3.86Å; Y169-L178 HydrophobicContact CG-CD2 3.48Å; Y169-L178 VanDerWaalsContact CG-CD2 3.48Å; Y169-L188 HydrophobicContact CE1-CD1 4.48Å; Y169-L188 WeakPolarHBondContact OH-CD1 3.45Å; Y169-Y190 AromaticContact CE2-CE2 3.88Å; Y169-Y190 HydrophobicContact CE2-CE2 3.88Å; Y169-Y190 PolarHBondContact OH-OH 2.88Å; Y169-A201 HydrophobicContact CD2-CB 4.11Å; Y169-A201 HydrophobicContact CE2-CB 3.54Å; Y169-A201 PolarHBondContact N-O 3.03Å; Y169-A201 VanDerWaalsContact N-O 3.09Å; Y169-A201 PolarHBondContact O-N 2.92Å; Y169-T203 VanDerWaalsContact CE1-OG1 3.24Å; Y169-T203 WeakPolarHBondContact CE1-OG1 3.43Å; Y169-T203 PolarHBondContact OH-OG1 2.86Å
170	N	94.2	Very high	93.1	Very high	98 Å²	98	56.3 Å²	56.3	52%	0.524	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.6	179.7	-153.8	-0.6	0	0	0	109.1	P172 V199	N170-P172 VanDerWaalsContact O-CD 3.3Å; N170-P172 WeakPolarHBondContact O-CD 3.19Å; N170-V199 VanDerWaalsContact OD1-C 3.31Å; N170-V199 PolarHBondContact OD1-O 2.95Å
171	V	93.5	Very high	92.9	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	106.4	177.2	-174.5	0	0	0	0	108	Y169 L176 Y190 F195 P198 V199 A201	Y169-V171 HydrophobicContact CD2-CG2 3.85Å; Y169-V171 HydrophobicContact CE2-CG2 3.73Å; V171-L176 HydrophobicContact CG1-CB 4.34Å; V171-L176 HydrophobicContact CG2-CD2 4.16Å; V171-Y190 HydrophobicContact CG1-CD1 3.89Å; V171-Y190 HydrophobicContact CG1-CD2 4.22Å; V171-Y190 HydrophobicContact CG1-CG 3.73Å; V171-Y190 HydrophobicContact CG2-CD1 4.33Å; V171-Y190 HydrophobicContact CG2-CD2 4.18Å; V171-Y190 HydrophobicContact CG2-CE1 4.16Å; V171-Y190 HydrophobicContact CG2-CE2 4Å; V171-Y190 HydrophobicContact CG2-CG 4.33Å; V171-F195 HydrophobicContact CB-CD2 4.17Å; V171-F195 HydrophobicContact CB-CE2 4.19Å; V171-F195 HydrophobicContact CG1-CD2 3.84Å; V171-F195 HydrophobicContact CG1-CE2 3.96Å; V171-F195 HydrophobicContact CG2-CE2 4.4Å; V171-P198 VanDerWaalsContact O-CA 3.3Å; V171-P198 WeakPolarHBondContact O-CA 3.34Å; V171-V199 PolarHBondContact N-O 2.83Å; V171-V199 PolarHBondContact O-N 3.01Å; V171-A201 HydrophobicContact CG2-CB 4.15Å
172	P	93.6	Very high	92.6	Very high	40 Å²	40	60.8 Å²	60.8	26%	0.26	30%	0.297	S	S	.	.			trans	-78.7	164.1	179.9	35.6	-34.7	0	0	0	111	N170 K174 G175	N170-P172 VanDerWaalsContact O-CD 3.3Å; N170-P172 WeakPolarHBondContact O-CD 3.19Å; P172-K174 HydrophobicContact CB-CG 4.06Å; P172-K174 HydrophobicContact CG-CG 3.72Å; P172-K174 PolarHBondContact O-N 2.77Å; P172-K174 VanDerWaalsContact O-N 3.14Å; P172-G175 VanDerWaalsContact CG-O 3.32Å; P172-G175 WeakPolarHBondContact CG-O 3.33Å; P172-G175 PolarHBondContact O-N 2.86Å
173	R	91.3	Very high	92.5	Very high	157 Å²	157	61 Å²	61	59%	0.592	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.8	176.7	-71.5	-179.3	171.4	169.3	0.8	113.8	G175 G193 T196	R173-G175 PolarHBondContact O-N 2.98Å; R173-G193 PolarHBondContact O-N 2.83Å; R173-T196 PolarHBondContact NE-O 2.99Å; R173-T196 PolarHBondContact NH2-O 2.85Å
174	K	92.3	Very high	92.4	Very high	172 Å²	172	63 Å²	63	75%	0.748	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-2.1	178.1	66.7	176.7	-178.6	178	0	114.2	P172 P192	P172-K174 HydrophobicContact CB-CG 4.06Å; P172-K174 HydrophobicContact CG-CG 3.72Å; P172-K174 PolarHBondContact O-N 2.77Å; P172-K174 VanDerWaalsContact O-N 3.14Å; K174-P192 WeakPolarHBondContact O-CG 3.49Å
175	G	91.5	Very high	92.5	Very high	11 Å²	11	68.3 Å²	68.3	11%	0.113	33%	0.333	C	S	.	.			trans	86.7	170.1	-172.7	0	0	0	0	0	112.6	P172 R173 Y190	P172-G175 VanDerWaalsContact CG-O 3.32Å; P172-G175 WeakPolarHBondContact CG-O 3.33Å; P172-G175 PolarHBondContact O-N 2.86Å; R173-G175 PolarHBondContact O-N 2.98Å; G175-Y190 CarbonylContact C-O 3.5Å; G175-Y190 WeakPolarHBondContact CA-O 3.44Å
176	L	94.6	Very high	92.7	Very high	45 Å²	45	65.3 Å²	65.3	24%	0.236	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	127.6	-176.7	177.2	65.4	0	0	0	109.8	Y169 V171 L178 Y190	Y169-L176 HydrophobicContact CD2-CD2 3.76Å; Y169-L176 HydrophobicContact CE2-CD2 4.35Å; V171-L176 HydrophobicContact CG1-CB 4.34Å; V171-L176 HydrophobicContact CG2-CD2 4.16Å; L176-L178 HydrophobicContact CD2-CB 4.11Å; L176-L178 HydrophobicContact CG-CB 4.1Å; L176-Y190 HydrophobicContact CB-CD2 4.13Å; L176-Y190 HydrophobicContact CD2-CD2 4.46Å; L176-Y190 PolarHBondContact N-O 2.75Å; L176-Y190 PolarHBondContact O-N 3.36Å
177	S	95.3	Very high	92.9	Very high	87 Å²	87	61.6 Å²	61.6	61%	0.608	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	111.4	163.2	-180	0	0	0	0	107.8	D189	S177-D189 WeakPolarHBondContact CA-OD1 3.4Å; S177-D189 WeakPolarHBondContact CB-OD1 3.37Å; S177-D189 PolarHBondContact OG-OD1 2.81Å
178	L	94.5	Very high	93	Very high	28 Å²	28	59.3 Å²	59.3	15%	0.147	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.5	-175.5	179.6	67.7	0	0	0	110.2	Y169 L176 I180 C187 L188	Y169-L178 HydrophobicContact CD1-CD2 3.39Å; Y169-L178 HydrophobicContact CD2-CD2 3.72Å; Y169-L178 HydrophobicContact CE1-CD2 3.55Å; Y169-L178 HydrophobicContact CE2-CD2 3.86Å; Y169-L178 HydrophobicContact CG-CD2 3.48Å; Y169-L178 VanDerWaalsContact CG-CD2 3.48Å; L176-L178 HydrophobicContact CD2-CB 4.11Å; L176-L178 HydrophobicContact CG-CB 4.1Å; L178-I180 HydrophobicContact CD2-CD1 3.93Å; L178-I180 HydrophobicContact CG-CD1 4.27Å; L178-C187 CarbonylContact O-C 3.48Å; L178-C187 WeakPolarHBondContact O-CA 3.1Å; L178-L188 HydrophobicContact CB-CB 4.48Å; L178-L188 PolarHBondContact N-O 3.32Å; L178-L188 PolarHBondContact O-N 2.84Å
179	K	95	Very high	93.1	Very high	140 Å²	140	56.6 Å²	56.6	61%	0.609	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	129.6	163.4	-64.7	-174.8	-179.5	177.1	0	108.9	P181	K179-P181 WeakPolarHBondContact O-CD 3.37Å
180	I	92.9	Very high	93.2	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	125.7	-176	-63.8	-57.9	0	0	0	110	L178 M182 D183 P184 I186 L188 T203 V205	L178-I180 HydrophobicContact CD2-CD1 3.93Å; L178-I180 HydrophobicContact CG-CD1 4.27Å; I180-M182 VanDerWaalsContact C-N 3.32Å; I180-M182 HydrophobicContact CG2-CE 3.27Å; I180-M182 HydrophobicContact CG2-CG 3.58Å; I180-M182 HydrophobicContact CG2-SD 3.25Å; I180-M182 WeakPolarHBondContact CG2-SD 3.38Å; I180-M182 PolarHBondContact O-N 2.82Å; I180-D183 CarbonylContact O-C 3.58Å; I180-D183 PolarHBondContact O-N 2.85Å; I180-D183 VanDerWaalsContact O-O 3.07Å; I180-P184 WeakPolarHBondContact O-CA 3.31Å; I180-I186 HydrophobicContact CB-CB 4.12Å; I180-I186 HydrophobicContact CB-CG2 4.32Å; I180-I186 HydrophobicContact CG1-CB 4.02Å; I180-I186 HydrophobicContact CG1-CG2 3.66Å; I180-I186 PolarHBondContact N-O 3.29Å; I180-L188 HydrophobicContact CD1-CD1 3.94Å; I180-L188 HydrophobicContact CD1-CG 4.29Å; I180-T203 HydrophobicContact CD1-CG2 3.99Å; I180-V205 HydrophobicContact CG2-CG2 4.14Å
181	P	89.9	Confident	93.1	Very high	76 Å²	76	55.2 Å²	55.2	49%	0.494	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-35	-175.2	-26.3	34.6	0	0	0	114.6	E167 K179 D183	E167-P181 HydrophobicContact CG-CG 4.46Å; K179-P181 WeakPolarHBondContact O-CD 3.37Å; P181-D183 VanDerWaalsContact C-N 3.35Å
182	M	89.2	Confident	93.1	Very high	19 Å²	19	59.3 Å²	59.3	9%	0.094	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-22.9	179.5	51.8	-86	-166.3	0	0	113.9	G113 E167 I180 T203 V205	G113-M182 WeakPolarHBondContact O-CB 3.31Å; E167-M182 HydrophobicContact CB-CE 4.13Å; E167-M182 HydrophobicContact CB-SD 4.4Å; I180-M182 VanDerWaalsContact C-N 3.32Å; I180-M182 HydrophobicContact CG2-CE 3.27Å; I180-M182 HydrophobicContact CG2-CG 3.58Å; I180-M182 HydrophobicContact CG2-SD 3.25Å; I180-M182 WeakPolarHBondContact CG2-SD 3.38Å; I180-M182 PolarHBondContact O-N 2.82Å; M182-T203 HydrophobicContact CE-CG2 4.42Å; M182-V205 HydrophobicContact CE-CB 4.17Å; M182-V205 HydrophobicContact CE-CG2 3.7Å; M182-V205 HydrophobicContact CG-CB 4.15Å; M182-V205 HydrophobicContact CG-CG2 4.22Å
183	D	90.8	Very high	92.9	Very high	9 Å²	9	59.1 Å²	59.1	5%	0.048	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	99.1	171	-171.3	-16.1	0	0	0	109.3	I180 P181 R185 I186	I180-D183 CarbonylContact O-C 3.58Å; I180-D183 PolarHBondContact O-N 2.85Å; I180-D183 VanDerWaalsContact O-O 3.07Å; P181-D183 VanDerWaalsContact C-N 3.35Å; D183-R185 PolarHBondContact O-N 2.81Å; D183-R185 VanDerWaalsContact OD1-CB 3.23Å; D183-R185 WeakPolarHBondContact OD1-CB 3.32Å; D183-R185 WeakPolarHBondContact OD1-CG 3.14Å; D183-R185 IonicContact OD1-CZ 3.52Å; D183-R185 PolarHBondContact OD1-N 2.77Å; D183-R185 VanDerWaalsContact OD1-N 3.11Å; D183-R185 IonicContact OD1-NE 3.94Å; D183-R185 PolarHBondContact OD1-NE 2.79Å; D183-R185 IonicContact OD1-NH2 2.99Å; D183-R185 IonicContact OD2-CZ 3.33Å; D183-R185 IonicContact OD2-NE 3.06Å; D183-R185 PolarHBondContact OD2-NE 2.74Å; D183-R185 IonicContact OD2-NH2 2.69Å; D183-R185 PolarHBondContact OD2-NH2 2.87Å; D183-I186 HydrophobicContact CB-CD1 4.01Å; D183-I186 HydrophobicContact CB-CG1 4.19Å; D183-I186 WeakPolarHBondContact O-CB 3.32Å; D183-I186 PolarHBondContact O-N 2.98Å
184	P	91.1	Very high	92.8	Very high	88 Å²	88	51.7 Å²	51.7	57%	0.571	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	-5.5	-174.2	28.3	-35.6	0	0	0	113.6	I180 I186	I180-P184 WeakPolarHBondContact O-CA 3.31Å; P184-I186 VanDerWaalsContact C-N 3.25Å
185	R	92.5	Very high	92.7	Very high	135 Å²	135	44 Å²	44	51%	0.509	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-18.2	170.5	-58.8	175.2	-63.1	172.6	3.7	112.2	D183 P252 L328	D183-R185 PolarHBondContact O-N 2.81Å; D183-R185 VanDerWaalsContact OD1-CB 3.23Å; D183-R185 WeakPolarHBondContact OD1-CB 3.32Å; D183-R185 WeakPolarHBondContact OD1-CG 3.14Å; D183-R185 IonicContact OD1-CZ 3.52Å; D183-R185 PolarHBondContact OD1-N 2.77Å; D183-R185 VanDerWaalsContact OD1-N 3.11Å; D183-R185 IonicContact OD1-NE 3.94Å; D183-R185 PolarHBondContact OD1-NE 2.79Å; D183-R185 IonicContact OD1-NH2 2.99Å; D183-R185 IonicContact OD2-CZ 3.33Å; D183-R185 IonicContact OD2-NE 3.06Å; D183-R185 PolarHBondContact OD2-NE 2.74Å; D183-R185 IonicContact OD2-NH2 2.69Å; D183-R185 PolarHBondContact OD2-NH2 2.87Å; R185-P252 HydrophobicContact CB-CB 4.41Å; R185-P252 HydrophobicContact CB-CG 4.4Å; R185-L328 HydrophobicContact CB-CD2 3.95Å
186	I	94.5	Very high	92.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.3	175.3	-58.6	175.4	0	0	0	108.4	I180 D183 P184 V205 P231 L233 T250 L251 P252	I180-I186 HydrophobicContact CB-CB 4.12Å; I180-I186 HydrophobicContact CB-CG2 4.32Å; I180-I186 HydrophobicContact CG1-CB 4.02Å; I180-I186 HydrophobicContact CG1-CG2 3.66Å; I180-I186 PolarHBondContact N-O 3.29Å; D183-I186 HydrophobicContact CB-CD1 4.01Å; D183-I186 HydrophobicContact CB-CG1 4.19Å; D183-I186 WeakPolarHBondContact O-CB 3.32Å; D183-I186 PolarHBondContact O-N 2.98Å; P184-I186 VanDerWaalsContact C-N 3.25Å; I186-V205 HydrophobicContact CD1-CB 4.44Å; I186-V205 HydrophobicContact CD1-CG1 3.79Å; I186-V205 HydrophobicContact CD1-CG2 3.71Å; I186-P231 HydrophobicContact CD1-CG 4.45Å; I186-L233 HydrophobicContact CG2-CD1 4.24Å; I186-T250 VanDerWaalsContact CA-O 3.31Å; I186-T250 WeakPolarHBondContact CA-O 3.38Å; I186-L251 HydrophobicContact CD1-CD2 4.21Å; I186-L251 HydrophobicContact CG1-CD2 4.03Å; I186-L251 HydrophobicContact CG2-CD2 3.88Å; I186-P252 HydrophobicContact CG1-CG 4.36Å
187	C	95.1	Very high	92.4	Very high	20 Å²	20	45.4 Å²	45.4	14%	0.135	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.9	179.8	-55.1	0	0	0	0	110.4	L178 T250	L178-C187 CarbonylContact O-C 3.48Å; L178-C187 WeakPolarHBondContact O-CA 3.1Å; C187-T250 PolarHBondContact N-O 2.61Å; C187-T250 VanDerWaalsContact N-O 3.15Å; C187-T250 PolarHBondContact O-N 2.9Å
188	L	95.4	Very high	92.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	112.3	172.8	-54.9	179.8	0	0	0	108.6	Y169 L178 I180 Y190 T203 L233 L235 L247 I249	Y169-L188 HydrophobicContact CE1-CD1 4.48Å; Y169-L188 WeakPolarHBondContact OH-CD1 3.45Å; L178-L188 HydrophobicContact CB-CB 4.48Å; L178-L188 PolarHBondContact N-O 3.32Å; L178-L188 PolarHBondContact O-N 2.84Å; I180-L188 HydrophobicContact CD1-CD1 3.94Å; I180-L188 HydrophobicContact CD1-CG 4.29Å; L188-Y190 HydrophobicContact CB-CE2 3.83Å; L188-T203 HydrophobicContact CD1-CG2 4.46Å; L188-L233 HydrophobicContact CD2-CD2 4.01Å; L188-L235 HydrophobicContact CD1-CD2 3.85Å; L188-L235 HydrophobicContact CD2-CD2 4.35Å; L188-L247 HydrophobicContact CB-CD1 4.4Å; L188-I249 HydrophobicContact CD2-CB 4.4Å; L188-I249 HydrophobicContact CD2-CD1 4.25Å; L188-I249 HydrophobicContact CD2-CG1 3.91Å; L188-I249 HydrophobicContact CD2-CG2 4.02Å
189	D	94.9	Very high	92.1	Very high	44 Å²	44	43.7 Å²	43.7	24%	0.235	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	102.1	-176.2	-63.3	-54.5	0	0	0	110.3	S177 L247 T248	S177-D189 WeakPolarHBondContact CA-OD1 3.4Å; S177-D189 WeakPolarHBondContact CB-OD1 3.37Å; S177-D189 PolarHBondContact OG-OD1 2.81Å; D189-L247 WeakPolarHBondContact O-CD1 3.34Å; D189-T248 PolarHBondContact N-O 3.46Å; D189-T248 PolarHBondContact O-N 2.85Å
190	Y	94.4	Very high	92	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.027	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120	174.5	-60.5	-93.7	0	0	0	109.7	Y169 V171 G175 L176 L188 F195 H237 L243 L247	Y169-Y190 AromaticContact CE2-CE2 3.88Å; Y169-Y190 HydrophobicContact CE2-CE2 3.88Å; Y169-Y190 PolarHBondContact OH-OH 2.88Å; V171-Y190 HydrophobicContact CG1-CD1 3.89Å; V171-Y190 HydrophobicContact CG1-CD2 4.22Å; V171-Y190 HydrophobicContact CG1-CG 3.73Å; V171-Y190 HydrophobicContact CG2-CD1 4.33Å; V171-Y190 HydrophobicContact CG2-CD2 4.18Å; V171-Y190 HydrophobicContact CG2-CE1 4.16Å; V171-Y190 HydrophobicContact CG2-CE2 4Å; V171-Y190 HydrophobicContact CG2-CG 4.33Å; G175-Y190 CarbonylContact C-O 3.5Å; G175-Y190 WeakPolarHBondContact CA-O 3.44Å; L176-Y190 HydrophobicContact CB-CD2 4.13Å; L176-Y190 HydrophobicContact CD2-CD2 4.46Å; L176-Y190 PolarHBondContact N-O 2.75Å; L176-Y190 PolarHBondContact O-N 3.36Å; L188-Y190 HydrophobicContact CB-CE2 3.83Å; Y190-F195 AromaticContact CD1-CE2 3.9Å; Y190-F195 HydrophobicContact CD1-CE2 3.9Å; Y190-F195 AromaticContact CE1-CE2 3.92Å; Y190-F195 HydrophobicContact CE1-CE2 3.92Å; Y190-F195 HydrophobicContact CE1-CZ 4.34Å; Y190-H237 AromaticContact CE1-NE2 3.71Å; Y190-H237 AromaticContact CZ-NE2 3.73Å; Y190-H237 PolarHBondContact OH-NE2 3.41Å; Y190-L243 HydrophobicContact CD1-CD1 4.45Å; Y190-L247 HydrophobicContact CD1-CD1 3.77Å; Y190-L247 HydrophobicContact CD2-CD1 4Å; Y190-L247 HydrophobicContact CE1-CD1 3.69Å; Y190-L247 HydrophobicContact CE1-CD2 3.85Å; Y190-L247 HydrophobicContact CE1-CG 4.28Å; Y190-L247 HydrophobicContact CE2-CD1 3.94Å; Y190-L247 HydrophobicContact CG-CD1 3.92Å
191	L	93.6	Very high	92	Very high	80 Å²	80	42.6 Å²	42.6	42%	0.419	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-69.3	155.9	175.2	-64.5	176.7	0	0	0	111.9	G193 S194 R245	L191-G193 PolarHBondContact O-N 3.09Å; L191-S194 PolarHBondContact N-OG 3.14Å; L191-S194 WeakPolarHBondContact O-CB 3.36Å; L191-S194 PolarHBondContact O-N 2.9Å; L191-S194 VanDerWaalsContact O-N 3.09Å; L191-S194 PolarHBondContact O-OG 2.99Å; L191-R245 HydrophobicContact CB-CB 4.21Å
192	P	92.7	Very high	92.2	Very high	88 Å²	88	40.4 Å²	40.4	57%	0.571	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	131	170.3	-21.1	29.7	0	0	0	111.3	K174	K174-P192 WeakPolarHBondContact O-CG 3.49Å
193	G	89.8	Confident	92.4	Very high	35 Å²	35	39.5 Å²	39.5	36%	0.361	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	16.2	-176.9	0	0	0	0	0	115.4	R173 L191 F195	R173-G193 PolarHBondContact O-N 2.83Å; L191-G193 PolarHBondContact O-N 3.09Å; G193-F195 PolarHBondContact O-N 2.65Å
194	S	89.6	Confident	92.6	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.014	24%	0.235	C	C	.	.	S	Bend	trans	-55.7	-32.6	171.4	-75.4	0	0	0	0	113.3	L191 R244	L191-S194 PolarHBondContact N-OG 3.14Å; L191-S194 WeakPolarHBondContact O-CB 3.36Å; L191-S194 PolarHBondContact O-N 2.9Å; L191-S194 VanDerWaalsContact O-N 3.09Å; L191-S194 PolarHBondContact O-OG 2.99Å; S194-R244 PolarHBondContact O-N 3.22Å
195	F	89.7	Confident	92.7	Very high	9 Å²	9	37.3 Å²	37.3	4%	0.039	21%	0.209	C	C	.	.	S	Bend	trans	-128.5	155.2	175.9	-61.7	-72.4	0	0	0	111.5	V171 Y190 G193 A197 V199 H237 Q241 L243	V171-F195 HydrophobicContact CB-CD2 4.17Å; V171-F195 HydrophobicContact CB-CE2 4.19Å; V171-F195 HydrophobicContact CG1-CD2 3.84Å; V171-F195 HydrophobicContact CG1-CE2 3.96Å; V171-F195 HydrophobicContact CG2-CE2 4.4Å; Y190-F195 AromaticContact CD1-CE2 3.9Å; Y190-F195 HydrophobicContact CD1-CE2 3.9Å; Y190-F195 AromaticContact CE1-CE2 3.92Å; Y190-F195 HydrophobicContact CE1-CE2 3.92Å; Y190-F195 HydrophobicContact CE1-CZ 4.34Å; G193-F195 PolarHBondContact O-N 2.65Å; F195-A197 VanDerWaalsContact CB-O 3.29Å; F195-A197 WeakPolarHBondContact CB-O 3.28Å; F195-V199 HydrophobicContact CB-CG2 3.95Å; F195-V199 HydrophobicContact CD1-CB 4.49Å; F195-V199 HydrophobicContact CD1-CG2 3.94Å; F195-V199 HydrophobicContact CD2-CB 4.01Å; F195-V199 HydrophobicContact CD2-CG1 4.45Å; F195-V199 HydrophobicContact CD2-CG2 4.23Å; F195-V199 HydrophobicContact CE2-CB 4.34Å; F195-V199 HydrophobicContact CE2-CG1 4.28Å; F195-V199 HydrophobicContact CG-CB 4.1Å; F195-V199 HydrophobicContact CG-CG2 3.78Å; F195-V199 HydrophobicContact CZ-CG1 4.33Å; F195-H237 AromaticContact CZ-CD2 3.84Å; F195-Q241 HydrophobicContact CD1-CB 4.13Å; F195-L243 HydrophobicContact CE1-CD1 3.92Å; F195-L243 HydrophobicContact CE2-CD1 4.05Å; F195-L243 HydrophobicContact CZ-CD1 3.54Å
196	T	88.6	Confident	92.6	Very high	61 Å²	61	32.2 Å²	32.2	37%	0.374	19%	0.191	S	C	.	.	S	Bend	trans	-74.5	-27.5	177.6	49.4	0	0	0	0	113	R173 Q241 R244	R173-T196 PolarHBondContact NE-O 2.99Å; R173-T196 PolarHBondContact NH2-O 2.85Å; T196-Q241 PolarHBondContact OG1-OE1 3.49Å; T196-R244 VanDerWaalsContact CG2-NE 3.33Å; T196-R244 VanDerWaalsContact CG2-NH1 3.33Å; T196-R244 VanDerWaalsContact CG2-NH2 3.28Å
197	A	90.9	Very high	92.5	Very high	25 Å²	25	35.2 Å²	35.2	21%	0.207	21%	0.21	C	C	.	.	S	Bend	trans	-133.9	164.8	174.4	0	0	0	0	0	109.7	F195 V199 Q241	F195-A197 VanDerWaalsContact CB-O 3.29Å; F195-A197 WeakPolarHBondContact CB-O 3.28Å; A197-V199 PolarHBondContact O-N 2.74Å; A197-Q241 PolarHBondContact O-OE1 2.75Å
198	P	91.4	Very high	92.3	Very high	75 Å²	75	35.2 Å²	35.2	49%	0.487	21%	0.209	S	C	.	.			trans	-55.9	132	168.9	-23	34.4	0	0	0	110.6	V171	V171-P198 VanDerWaalsContact O-CA 3.3Å; V171-P198 WeakPolarHBondContact O-CA 3.34Å
199	V	92.2	Very high	91.7	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.8	-173.9	157.1	0	0	0	0	109.7	N170 V171 F195 A197 P238 Q241	N170-V199 VanDerWaalsContact OD1-C 3.31Å; N170-V199 PolarHBondContact OD1-O 2.95Å; V171-V199 PolarHBondContact N-O 2.83Å; V171-V199 PolarHBondContact O-N 3.01Å; F195-V199 HydrophobicContact CB-CG2 3.95Å; F195-V199 HydrophobicContact CD1-CB 4.49Å; F195-V199 HydrophobicContact CD1-CG2 3.94Å; F195-V199 HydrophobicContact CD2-CB 4.01Å; F195-V199 HydrophobicContact CD2-CG1 4.45Å; F195-V199 HydrophobicContact CD2-CG2 4.23Å; F195-V199 HydrophobicContact CE2-CB 4.34Å; F195-V199 HydrophobicContact CE2-CG1 4.28Å; F195-V199 HydrophobicContact CG-CB 4.1Å; F195-V199 HydrophobicContact CG-CG2 3.78Å; F195-V199 HydrophobicContact CZ-CG1 4.33Å; A197-V199 PolarHBondContact O-N 2.74Å; V199-P238 HydrophobicContact CG1-CG 3.64Å; V199-Q241 HydrophobicContact CG2-CB 4.18Å; V199-Q241 HydrophobicContact CG2-CG 4.41Å
200	M	93	Very high	91.3	Very high	118 Å²	118	41.5 Å²	41.5	58%	0.581	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	118.8	168.2	-172	-179.5	-66.8	0	0	109.3
201	A	92.6	Very high	91	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.3	-176.7	0	0	0	0	0	112	Y169 V171	Y169-A201 HydrophobicContact CD2-CB 4.11Å; Y169-A201 HydrophobicContact CE2-CB 3.54Å; Y169-A201 PolarHBondContact N-O 3.03Å; Y169-A201 VanDerWaalsContact N-O 3.09Å; Y169-A201 PolarHBondContact O-N 2.92Å; V171-A201 HydrophobicContact CG2-CB 4.15Å
202	Q	94.1	Very high	90.8	Very high	29 Å²	29	44 Å²	44	14%	0.136	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.5	-174.6	41.5	100.6	-38.9	0	0	112.6	R166 E167 M168 T236	R166-Q202 HydrophobicContact CG-CB 4.33Å; R166-Q202 VanDerWaalsContact NH2-CD 3.26Å; E167-Q202 VanDerWaalsContact O-CB 3.27Å; E167-Q202 WeakPolarHBondContact O-CB 3.4Å; M168-Q202 HydrophobicContact CB-CB 4.49Å; M168-Q202 HydrophobicContact CB-CG 4.2Å; M168-Q202 HydrophobicContact CG-CB 4.06Å; M168-Q202 HydrophobicContact CG-CG 3.72Å; M168-Q202 HydrophobicContact SD-CG 4.21Å; Q202-T236 PolarHBondContact N-O 2.99Å; Q202-T236 PolarHBondContact O-N 3.1Å
203	T	94.3	Very high	90.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	138.2	165.5	-59.7	0	0	0	0	113.5	E167 Y169 I180 M182 L188 L233 H234 L235	E167-T203 PolarHBondContact N-O 3.38Å; E167-T203 PolarHBondContact O-N 3.11Å; Y169-T203 VanDerWaalsContact CE1-OG1 3.24Å; Y169-T203 WeakPolarHBondContact CE1-OG1 3.43Å; Y169-T203 PolarHBondContact OH-OG1 2.86Å; I180-T203 HydrophobicContact CD1-CG2 3.99Å; M182-T203 HydrophobicContact CE-CG2 4.42Å; L188-T203 HydrophobicContact CD1-CG2 4.46Å; T203-L233 HydrophobicContact CG2-CD1 3.52Å; T203-H234 VanDerWaalsContact CA-O 3.28Å; T203-H234 WeakPolarHBondContact CA-O 3.37Å; T203-L235 HydrophobicContact CG2-CD2 4Å; T203-L235 VanDerWaalsContact OG1-CD2 3.28Å; T203-L235 WeakPolarHBondContact OG1-CD2 3.12Å
204	M	94	Very high	90.8	Very high	48 Å²	48	41.4 Å²	41.4	24%	0.236	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.5	169.1	-58.1	-179.2	-66	0	0	109.6	R166 H234	R166-M204 HydrophobicContact CB-CG 3.91Å; R166-M204 HydrophobicContact CB-SD 4.14Å; R166-M204 HydrophobicContact CG-CG 3.97Å; R166-M204 HydrophobicContact CG-SD 4.29Å; M204-H234 HydrophobicContact CB-CB 4.03Å; M204-H234 HydrophobicContact CE-CB 4.19Å; M204-H234 PolarHBondContact N-O 3.45Å; M204-H234 PolarHBondContact O-N 3.33Å
205	V	93.2	Very high	90.7	Very high	3 Å²	3	43 Å²	43	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.7	177.8	174.2	0	0	0	0	108.3	I180 M182 I186 P231 L233	I180-V205 HydrophobicContact CG2-CG2 4.14Å; M182-V205 HydrophobicContact CE-CB 4.17Å; M182-V205 HydrophobicContact CE-CG2 3.7Å; M182-V205 HydrophobicContact CG-CB 4.15Å; M182-V205 HydrophobicContact CG-CG2 4.22Å; I186-V205 HydrophobicContact CD1-CB 4.44Å; I186-V205 HydrophobicContact CD1-CG1 3.79Å; I186-V205 HydrophobicContact CD1-CG2 3.71Å; V205-P231 HydrophobicContact CG1-CB 3.77Å; V205-L233 HydrophobicContact CG2-CD1 3.94Å
206	Q	91.7	Very high	90.8	Very high	28 Å²	28	42.5 Å²	42.5	13%	0.131	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.8	173.1	177.9	169.7	20.5	0	0	108.5	P231 L232 H234 A365	Q206-P231 CarbonylContact O-C 3.59Å; Q206-P231 WeakPolarHBondContact O-CA 3.38Å; Q206-L232 HydrophobicContact CB-CB 4.03Å; Q206-L232 PolarHBondContact N-O 2.9Å; Q206-L232 PolarHBondContact O-N 2.9Å; Q206-H234 PolarHBondContact OE1-CE1 2.96Å; Q206-A365 HydrophobicContact CG-CB 4.23Å
207	P	90.5	Very high	90.9	Very high	63 Å²	63	42.6 Å²	42.6	41%	0.409	26%	0.259	S	S	.	.			trans	-66.7	138.5	-176.1	27.4	-33.6	0	0	0	110.6
208	V	91	Very high	90.9	Very high	19 Å²	19	45.9 Å²	45.9	12%	0.115	28%	0.281	C	S	.	.			trans	-114.3	102.1	167.1	178.1	0	0	0	0	105.9	L212 A229 L232 L361	V208-L212 HydrophobicContact CG1-CD2 4.33Å; V208-A229 HydrophobicContact CG1-CB 4.17Å; V208-L232 HydrophobicContact CG2-CD1 4.24Å; V208-L232 HydrophobicContact CG2-CG 4.06Å; V208-L361 HydrophobicContact CG1-CD2 3.94Å
209	D	84.4	Confident	90.7	Very high	94 Å²	94	48.4 Å²	48.4	50%	0.503	28%	0.281	S	S	.	.			trans	-87.6	170	178.7	68.6	31.4	0	0	0	111.7	V211 L212 L213	D209-V211 PolarHBondContact O-N 3.17Å; D209-V211 WeakPolarHBondContact OD1-CA 3.4Å; D209-V211 WeakPolarHBondContact OD1-CB 3.22Å; D209-V211 PolarHBondContact OD1-N 2.78Å; D209-L212 PolarHBondContact O-N 2.79Å; D209-L212 WeakPolarHBondContact OD1-CB 3.44Å; D209-L212 PolarHBondContact OD1-N 2.77Å; D209-L213 PolarHBondContact O-N 3.12Å
210	A	86.7	Confident	90.5	Very high	83 Å²	83	50.3 Å²	50.3	69%	0.686	29%	0.29	S	S	*	.	H	α-helix	trans	-64.2	-28.1	-179.6	0	0	0	0	0	112.5	A214	A210-A214 WeakPolarHBondContact O-CB 3.33Å; A210-A214 PolarHBondContact O-N 3.41Å
211	V	87.6	Confident	90.2	Very high	113 Å²	113	51.4 Å²	51.4	69%	0.685	30%	0.299	S	S	*	.	H	α-helix	trans	-72.4	-46.2	-179.4	-178.9	0	0	0	0	109.9	D209 A214 A215	D209-V211 PolarHBondContact O-N 3.17Å; D209-V211 WeakPolarHBondContact OD1-CA 3.4Å; D209-V211 WeakPolarHBondContact OD1-CB 3.22Å; D209-V211 PolarHBondContact OD1-N 2.78Å; V211-A214 PolarHBondContact O-N 2.81Å; V211-A215 WeakPolarHBondContact O-CB 3.46Å; V211-A215 PolarHBondContact O-N 3.22Å
212	L	89.4	Confident	90	Very high	25 Å²	25	53 Å²	53	13%	0.131	31%	0.312	C	S	.	.	H	α-helix	trans	-60.5	-46.9	174.6	-179.9	63.7	0	0	0	110.9	V208 D209 A215 V216 L361 A365	V208-L212 HydrophobicContact CG1-CD2 4.33Å; D209-L212 PolarHBondContact O-N 2.79Å; D209-L212 WeakPolarHBondContact OD1-CB 3.44Å; D209-L212 PolarHBondContact OD1-N 2.77Å; L212-A215 PolarHBondContact O-N 3.32Å; L212-V216 WeakPolarHBondContact O-CG2 3.19Å; L212-V216 PolarHBondContact O-N 3.28Å; L212-L361 HydrophobicContact CG-CD2 4.35Å; L212-A365 HydrophobicContact CD2-CB 4Å
213	L	91.7	Very high	89.8	Confident	14 Å²	14	51.7 Å²	51.7	7%	0.073	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-44.6	178	-177.5	61.3	0	0	0	111.4	D209 A215 V216 K217 V226 A229 L361	D209-L213 PolarHBondContact O-N 3.12Å; L213-A215 VanDerWaalsContact C-N 3.33Å; L213-A215 PolarHBondContact O-N 2.85Å; L213-V216 PolarHBondContact O-N 2.99Å; L213-K217 HydrophobicContact CD1-CG 4.45Å; L213-K217 HydrophobicContact CG-CD 4.26Å; L213-K217 WeakPolarHBondContact O-CB 3.45Å; L213-K217 VanDerWaalsContact O-CG 3.31Å; L213-K217 WeakPolarHBondContact O-CG 3.49Å; L213-K217 PolarHBondContact O-N 3.04Å; L213-V226 HydrophobicContact CD1-CG1 4.09Å; L213-V226 HydrophobicContact CD2-CG1 4.44Å; L213-A229 HydrophobicContact CD1-CB 4.39Å; L213-A229 HydrophobicContact CD2-CB 4.39Å; L213-L361 HydrophobicContact CD1-CD2 4.14Å
214	A	89.8	Confident	89.4	Confident	55 Å²	55	59.1 Å²	59.1	46%	0.455	34%	0.34	S	S	.	.	H	α-helix	trans	-61.5	-41.3	176.5	0	0	0	0	0	112.1	A210 V211 V216 K217 S218	A210-A214 WeakPolarHBondContact O-CB 3.33Å; A210-A214 PolarHBondContact O-N 3.41Å; V211-A214 PolarHBondContact O-N 2.81Å; A214-V216 VanDerWaalsContact C-N 3.33Å; A214-V216 PolarHBondContact O-N 2.83Å; A214-K217 PolarHBondContact O-N 2.74Å; A214-S218 WeakPolarHBondContact O-CB 3.46Å; A214-S218 PolarHBondContact O-N 2.72Å; A214-S218 PolarHBondContact O-OG 3.27Å
215	A	88.4	Confident	89.2	Confident	35 Å²	35	57.4 Å²	57.4	29%	0.289	33%	0.333	S	S	.	.	H	α-helix	trans	-67	-30.9	178.1	0	0	0	0	0	113.3	V211 L212 L213 S218 R219	V211-A215 WeakPolarHBondContact O-CB 3.46Å; V211-A215 PolarHBondContact O-N 3.22Å; L212-A215 PolarHBondContact O-N 3.32Å; L213-A215 VanDerWaalsContact C-N 3.33Å; L213-A215 PolarHBondContact O-N 2.85Å; A215-S218 PolarHBondContact O-OG 2.93Å; A215-S218 VanDerWaalsContact O-OG 3.07Å; A215-R219 WeakPolarHBondContact O-CG 3.43Å; A215-R219 PolarHBondContact O-NE 3.06Å
216	V	91.4	Very high	89.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-74.8	-44.4	171.6	172	0	0	0	0	110.3	L212 L213 A214 S218 R219 Y223 L357 E360 L361	L212-V216 WeakPolarHBondContact O-CG2 3.19Å; L212-V216 PolarHBondContact O-N 3.28Å; L213-V216 PolarHBondContact O-N 2.99Å; A214-V216 VanDerWaalsContact C-N 3.33Å; A214-V216 PolarHBondContact O-N 2.83Å; V216-S218 VanDerWaalsContact C-N 3.29Å; V216-S218 PolarHBondContact O-N 3.46Å; V216-R219 PolarHBondContact O-N 3.29Å; V216-R219 VanDerWaalsContact O-N 3.13Å; V216-Y223 HydrophobicContact CG1-CD2 4.02Å; V216-Y223 HydrophobicContact CG1-CE2 3.96Å; V216-L357 HydrophobicContact CG1-CD1 3.82Å; V216-E360 HydrophobicContact CG1-CB 3.98Å; V216-L361 HydrophobicContact CB-CD2 4.28Å; V216-L361 HydrophobicContact CG2-CD2 3.97Å
217	K	91.4	Very high	89	Confident	62 Å²	62	57.6 Å²	57.6	27%	0.27	34%	0.336	S	S	.	.	H	α-helix	trans	-58.1	-39.2	176.2	-73.3	-177.7	64.9	167.9	0	112.7	L213 A214 R219 N220 Y223 E224 V226	L213-K217 HydrophobicContact CD1-CG 4.45Å; L213-K217 HydrophobicContact CG-CD 4.26Å; L213-K217 WeakPolarHBondContact O-CB 3.45Å; L213-K217 VanDerWaalsContact O-CG 3.31Å; L213-K217 WeakPolarHBondContact O-CG 3.49Å; L213-K217 PolarHBondContact O-N 3.04Å; A214-K217 PolarHBondContact O-N 2.74Å; K217-R219 PolarHBondContact O-N 3.1Å; K217-N220 CarbonylContact O-C 3.55Å; K217-N220 PolarHBondContact O-N 2.9Å; K217-N220 VanDerWaalsContact O-O 3.09Å; K217-Y223 VanDerWaalsContact CE-O 3.24Å; K217-Y223 WeakPolarHBondContact CE-O 3.42Å; K217-E224 PolarHBondContact NZ-O 2.88Å; K217-V226 HydrophobicContact CD-CB 4.48Å; K217-V226 PolarHBondContact NZ-O 3.3Å
218	S	89.4	Confident	89.1	Confident	94 Å²	94	55.1 Å²	55.1	66%	0.657	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.3	-179.2	69.8	0	0	0	0	114.2	A214 A215 V216	A214-S218 WeakPolarHBondContact O-CB 3.46Å; A214-S218 PolarHBondContact O-N 2.72Å; A214-S218 PolarHBondContact O-OG 3.27Å; A215-S218 PolarHBondContact O-OG 2.93Å; A215-S218 VanDerWaalsContact O-OG 3.07Å; V216-S218 VanDerWaalsContact C-N 3.29Å; V216-S218 PolarHBondContact O-N 3.46Å
219	R	87.7	Confident	89.2	Confident	129 Å²	129	54.7 Å²	54.7	49%	0.487	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-18.6	177.3	-66.2	170.3	-172.1	164.9	5.9	112.5	A215 V216 K217 S364	A215-R219 WeakPolarHBondContact O-CG 3.43Å; A215-R219 PolarHBondContact O-NE 3.06Å; V216-R219 PolarHBondContact O-N 3.29Å; V216-R219 VanDerWaalsContact O-N 3.13Å; K217-R219 PolarHBondContact O-N 3.1Å; R219-S364 PolarHBondContact NH1-OG 2.69Å
220	N	88.4	Confident	89.7	Confident	43 Å²	43	50.2 Å²	50.2	23%	0.23	30%	0.295	C	S	.	.			trans	-153.9	110.7	-174.4	-172	-11.5	0	0	0	111.2	K217 A222 Y223	K217-N220 CarbonylContact O-C 3.55Å; K217-N220 PolarHBondContact O-N 2.9Å; K217-N220 VanDerWaalsContact O-O 3.09Å; N220-A222 PolarHBondContact O-N 3.1Å; N220-A222 WeakPolarHBondContact OD1-CB 3.36Å; N220-A222 PolarHBondContact OD1-N 3.16Å; N220-Y223 HydrophobicContact CB-CD2 3.77Å; N220-Y223 HydrophobicContact CB-CE2 3.62Å; N220-Y223 PolarHBondContact O-N 2.98Å
221	D	87.2	Confident	90.1	Very high	141 Å²	141	46.9 Å²	46.9	75%	0.754	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-59.5	-20.3	-179.3	-58.5	-29.5	0	0	0	113	Y223 E224	D221-Y223 PolarHBondContact O-N 3.44Å; D221-E224 WeakPolarHBondContact O-CB 3.42Å; D221-E224 PolarHBondContact O-N 3.49Å; D221-E224 VanDerWaalsContact O-N 3.08Å
222	A	87.9	Confident	90.4	Very high	34 Å²	34	41.6 Å²	41.6	28%	0.281	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-58.9	-20.1	174.1	0	0	0	0	0	113.2	N220 L349	N220-A222 PolarHBondContact O-N 3.1Å; N220-A222 WeakPolarHBondContact OD1-CB 3.36Å; N220-A222 PolarHBondContact OD1-N 3.16Å; A222-L349 WeakPolarHBondContact O-CD1 3.34Å
223	Y	90.2	Very high	90.7	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-90.7	6.2	179.8	-53.7	-36.1	0	0	0	113.8	V216 K217 N220 D221 S225 V226 L349 R353 L357 E360	V216-Y223 HydrophobicContact CG1-CD2 4.02Å; V216-Y223 HydrophobicContact CG1-CE2 3.96Å; K217-Y223 VanDerWaalsContact CE-O 3.24Å; K217-Y223 WeakPolarHBondContact CE-O 3.42Å; N220-Y223 HydrophobicContact CB-CD2 3.77Å; N220-Y223 HydrophobicContact CB-CE2 3.62Å; N220-Y223 PolarHBondContact O-N 2.98Å; D221-Y223 PolarHBondContact O-N 3.44Å; Y223-S225 PolarHBondContact O-N 3.11Å; Y223-S225 VanDerWaalsContact O-N 3.17Å; Y223-V226 VanDerWaalsContact O-CB 3.32Å; Y223-V226 WeakPolarHBondContact O-CB 3.46Å; Y223-V226 WeakPolarHBondContact O-CG2 3.23Å; Y223-V226 PolarHBondContact O-N 3.26Å; Y223-L349 HydrophobicContact CD1-CD2 4.47Å; Y223-R353 WeakPolarHBondContact CE1-O 3.32Å; Y223-L357 HydrophobicContact CD1-CB 4.26Å; Y223-L357 HydrophobicContact CD1-CD1 4.1Å; Y223-L357 HydrophobicContact CD2-CD1 4.01Å; Y223-L357 HydrophobicContact CE1-CB 3.88Å; Y223-L357 HydrophobicContact CE1-CD1 4.33Å; Y223-L357 HydrophobicContact CE2-CD1 4.22Å; Y223-L357 HydrophobicContact CG-CD1 3.96Å; Y223-E360 PolarHBondContact OH-OE1 2.8Å
224	E	86.4	Confident	90.8	Very high	157 Å²	157	41.2 Å²	41.2	73%	0.734	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-38.8	179.8	-172.9	179.5	-174.4	0	0	112.4	K217 D221 V226	K217-E224 PolarHBondContact NZ-O 2.88Å; D221-E224 WeakPolarHBondContact O-CB 3.42Å; D221-E224 PolarHBondContact O-N 3.49Å; D221-E224 VanDerWaalsContact O-N 3.08Å; E224-V226 PolarHBondContact O-N 2.7Å
225	S	88.4	Confident	90.9	Very high	13 Å²	13	38.7 Å²	38.7	9%	0.091	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.8	179.8	67.8	0	0	0	0	114.4	Y223 V227 L345 L346 S347	Y223-S225 PolarHBondContact O-N 3.11Å; Y223-S225 VanDerWaalsContact O-N 3.17Å; S225-V227 PolarHBondContact O-N 3.43Å; S225-L345 CarbonylContact O-C 3.6Å; S225-L345 VanDerWaalsContact O-CA 3.28Å; S225-L345 WeakPolarHBondContact O-CA 3.39Å; S225-L346 PolarHBondContact O-N 3.19Å; S225-S347 WeakPolarHBondContact CB-OG 3.36Å
226	V	91.5	Very high	91.1	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	117	-179.4	-177.1	0	0	0	0	110.2	L213 K217 Y223 E224 V343 L345 L357	L213-V226 HydrophobicContact CD1-CG1 4.09Å; L213-V226 HydrophobicContact CD2-CG1 4.44Å; K217-V226 HydrophobicContact CD-CB 4.48Å; K217-V226 PolarHBondContact NZ-O 3.3Å; Y223-V226 VanDerWaalsContact O-CB 3.32Å; Y223-V226 WeakPolarHBondContact O-CB 3.46Å; Y223-V226 WeakPolarHBondContact O-CG2 3.23Å; Y223-V226 PolarHBondContact O-N 3.26Å; E224-V226 PolarHBondContact O-N 2.7Å; V226-V343 HydrophobicContact CG1-CG1 3.74Å; V226-L345 HydrophobicContact CB-CD2 4.26Å; V226-L345 HydrophobicContact CG2-CD2 3.72Å; V226-L357 HydrophobicContact CG1-CD2 4.23Å; V226-L357 HydrophobicContact CG2-CD2 3.72Å
227	V	89.9	Confident	90.9	Very high	33 Å²	33	41.1 Å²	41.1	20%	0.2	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-54.6	177.9	178.2	0	0	0	0	110.8	S225 R344 L346	S225-V227 PolarHBondContact O-N 3.43Å; V227-R344 HydrophobicContact CB-CB 4.29Å; V227-R344 HydrophobicContact CB-CG 4.14Å; V227-R344 WeakPolarHBondContact CB-O 3.42Å; V227-R344 HydrophobicContact CG2-CG 4.48Å; V227-R344 PolarHBondContact N-O 3.25Å; V227-L346 HydrophobicContact CG2-CB 4.49Å; V227-L346 HydrophobicContact CG2-CD1 4.31Å; V227-L346 HydrophobicContact CG2-CD2 3.54Å; V227-L346 HydrophobicContact CG2-CG 3.44Å; V227-L346 VanDerWaalsContact CG2-CG 3.44Å
228	S	91.8	Very high	90.6	Very high	11 Å²	11	40.2 Å²	40.2	8%	0.077	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	159	-174.8	63.7	0	0	0	0	110.5	P254 R344	S228-P254 VanDerWaalsContact CB-O 3.3Å; S228-P254 WeakPolarHBondContact CB-O 3.26Å; S228-P254 PolarHBondContact OG-O 2.85Å; S228-R344 PolarHBondContact O-N 3.07Å
229	A	94.3	Very high	90.2	Very high	11 Å²	11	44.2 Å²	44.2	9%	0.091	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.2	175.7	0	0	0	0	0	109	V208 L213 L341 A342 L361	V208-A229 HydrophobicContact CG1-CB 4.17Å; L213-A229 HydrophobicContact CD1-CB 4.39Å; L213-A229 HydrophobicContact CD2-CB 4.39Å; A229-L341 HydrophobicContact CB-CD1 4.36Å; A229-A342 CarbonylContact C-O 3.6Å; A229-A342 WeakPolarHBondContact CA-O 3.5Å; A229-L361 HydrophobicContact CB-CD1 4.36Å
230	S	94.9	Very high	89.8	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.			trans	-75	166.4	170.2	72.9	0	0	0	0	111.2	P252 L341 A342	S230-P252 VanDerWaalsContact CA-O 3.22Å; S230-P252 WeakPolarHBondContact CA-O 3.46Å; S230-P252 WeakPolarHBondContact CB-O 3.47Å; S230-L341 WeakPolarHBondContact O-CD1 3.27Å; S230-A342 PolarHBondContact N-O 3.49Å; S230-A342 PolarHBondContact OG-N 2.8Å
231	P	94.4	Very high	89.5	Confident	13 Å²	13	42.8 Å²	42.8	8%	0.084	24%	0.235	C	C	.	.			trans	-54	150.2	161	-23.4	34.9	0	0	0	111.3	I186 V205 Q206 L233 P252	I186-P231 HydrophobicContact CD1-CG 4.45Å; V205-P231 HydrophobicContact CG1-CB 3.77Å; Q206-P231 CarbonylContact O-C 3.59Å; Q206-P231 WeakPolarHBondContact O-CA 3.38Å; P231-L233 PolarHBondContact O-N 3.01Å; P231-P252 HydrophobicContact CG-CG 4.12Å
232	L	94.3	Very high	89.4	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	107	171.3	-78.7	164.8	0	0	0	108.6	Q206 V208 H234 W313 L341 E362	Q206-L232 HydrophobicContact CB-CB 4.03Å; Q206-L232 PolarHBondContact N-O 2.9Å; Q206-L232 PolarHBondContact O-N 2.9Å; V208-L232 HydrophobicContact CG2-CD1 4.24Å; V208-L232 HydrophobicContact CG2-CG 4.06Å; L232-H234 PolarHBondContact O-ND1 3.15Å; L232-W313 HydrophobicContact CD2-CH2 3.61Å; L232-W313 HydrophobicContact CD2-CZ2 3.82Å; L232-L341 HydrophobicContact CD2-CB 4.11Å; L232-L341 HydrophobicContact CD2-CD1 4Å; L232-L341 HydrophobicContact CD2-CD2 4.4Å; L232-L341 HydrophobicContact CD2-CG 4.4Å; L232-L341 HydrophobicContact CG-CD1 4.28Å; L232-E362 HydrophobicContact CD1-CB 4.19Å
233	L	95	Very high	89.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.8	178.7	179.7	68.4	0	0	0	109.2	I186 L188 T203 V205 P231 L235 I249 L251 R339 L340	I186-L233 HydrophobicContact CG2-CD1 4.24Å; L188-L233 HydrophobicContact CD2-CD2 4.01Å; T203-L233 HydrophobicContact CG2-CD1 3.52Å; V205-L233 HydrophobicContact CG2-CD1 3.94Å; P231-L233 PolarHBondContact O-N 3.01Å; L233-L235 HydrophobicContact CD1-CD2 4.36Å; L233-L235 HydrophobicContact CD2-CD1 4.17Å; L233-L235 HydrophobicContact CD2-CD2 4.12Å; L233-L235 HydrophobicContact CD2-CG 4.13Å; L233-L235 HydrophobicContact CG-CD2 4.13Å; L233-L235 HydrophobicContact CG-CG 4.12Å; L233-I249 HydrophobicContact CD2-CD1 4.41Å; L233-I249 HydrophobicContact CD2-CG2 3.87Å; L233-L251 HydrophobicContact CB-CD2 4.18Å; L233-L251 HydrophobicContact CD2-CD2 4.03Å; L233-R339 CarbonylContact O-C 3.53Å; L233-R339 VanDerWaalsContact O-CA 3.28Å; L233-R339 WeakPolarHBondContact O-CA 3.49Å; L233-L340 HydrophobicContact CB-CB 4.39Å; L233-L340 HydrophobicContact CD2-CD1 4.19Å; L233-L340 PolarHBondContact N-O 2.77Å; L233-L340 PolarHBondContact O-N 3.22Å
234	H	93.8	Very high	89.4	Confident	31 Å²	31	47.7 Å²	47.7	14%	0.144	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.1	173.4	-62.4	75.8	0	0	0	109.2	T203 M204 Q206 L232 D338 R339	T203-H234 VanDerWaalsContact CA-O 3.28Å; T203-H234 WeakPolarHBondContact CA-O 3.37Å; M204-H234 HydrophobicContact CB-CB 4.03Å; M204-H234 HydrophobicContact CE-CB 4.19Å; M204-H234 PolarHBondContact N-O 3.45Å; M204-H234 PolarHBondContact O-N 3.33Å; Q206-H234 PolarHBondContact OE1-CE1 2.96Å; L232-H234 PolarHBondContact O-ND1 3.15Å; H234-D338 WeakPolarHBondContact CA-O 3.43Å; H234-R339 VanDerWaalsContact CD2-CG 3.44Å; H234-R339 WeakPolarHBondContact CD2-CG 3.4Å
235	L	92.7	Very high	89.6	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.7	176.8	-64.4	177.5	0	0	0	109.1	L188 T203 L233 I249 D338 L340	L188-L235 HydrophobicContact CD1-CD2 3.85Å; L188-L235 HydrophobicContact CD2-CD2 4.35Å; T203-L235 HydrophobicContact CG2-CD2 4Å; T203-L235 VanDerWaalsContact OG1-CD2 3.28Å; T203-L235 WeakPolarHBondContact OG1-CD2 3.12Å; L233-L235 HydrophobicContact CD1-CD2 4.36Å; L233-L235 HydrophobicContact CD2-CD1 4.17Å; L233-L235 HydrophobicContact CD2-CD2 4.12Å; L233-L235 HydrophobicContact CD2-CG 4.13Å; L233-L235 HydrophobicContact CG-CD2 4.13Å; L233-L235 HydrophobicContact CG-CG 4.12Å; L235-I249 HydrophobicContact CD1-CD1 3.73Å; L235-D338 PolarHBondContact N-O 3.25Å; L235-L340 HydrophobicContact CD1-CD1 3.54Å; L235-L340 HydrophobicContact CG-CD1 4.4Å
236	T	91.1	Very high	89.7	Confident	65 Å²	65	48.7 Å²	48.7	40%	0.399	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	104.1	175	-50.9	0	0	0	0	109.1	Q202	Q202-T236 PolarHBondContact N-O 2.99Å; Q202-T236 PolarHBondContact O-N 3.1Å
237	H	88.8	Confident	89.8	Confident	20 Å²	20	48.8 Å²	48.8	9%	0.093	25%	0.249	C	C	.	.			trans	-104	150.6	172.7	-58.2	98.4	0	0	0	110.2	Y190 F195 K239	Y190-H237 AromaticContact CE1-NE2 3.71Å; Y190-H237 AromaticContact CZ-NE2 3.73Å; Y190-H237 PolarHBondContact OH-NE2 3.41Å; F195-H237 AromaticContact CZ-CD2 3.84Å; H237-K239 PolarHBondContact O-N 2.6Å
238	P	84.8	Confident	90	Very high	44 Å²	44	48.9 Å²	48.9	29%	0.286	25%	0.25	S	C	.	.			trans	-60.2	125.2	173.6	-21	33.3	0	0	0	111	V199 S240 Q241	V199-P238 HydrophobicContact CG1-CG 3.64Å; P238-S240 PolarHBondContact O-N 2.9Å; P238-S240 VanDerWaalsContact O-N 3.12Å; P238-Q241 PolarHBondContact O-N 2.93Å; P238-Q241 VanDerWaalsContact O-N 3.17Å
239	K	80.5	Confident	90.2	Very high	177 Å²	177	48.3 Å²	48.3	77%	0.77	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.7	-179.3	-63.2	-168.4	176.6	-163.7	0	113.5	H237 Q241 D310	H237-K239 PolarHBondContact O-N 2.6Å; K239-Q241 VanDerWaalsContact C-N 3.28Å; K239-Q241 PolarHBondContact O-N 3.42Å; K239-D310 IonicContact NZ-OD1 2.9Å
240	S	80.5	Confident	90.2	Very high	103 Å²	103	48.2 Å²	48.2	72%	0.72	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.4	179.6	54.9	0	0	0	0	114.4	P238	P238-S240 PolarHBondContact O-N 2.9Å; P238-S240 VanDerWaalsContact O-N 3.12Å
241	Q	81.4	Confident	90.3	Very high	40 Å²	40	48.2 Å²	48.2	19%	0.187	24%	0.244	C	C	.	.	S	Bend	trans	-126.9	97.9	-179.4	-66.1	-166.8	29.9	0	0	110.8	F195 T196 A197 V199 P238 K239	F195-Q241 HydrophobicContact CD1-CB 4.13Å; T196-Q241 PolarHBondContact OG1-OE1 3.49Å; A197-Q241 PolarHBondContact O-OE1 2.75Å; V199-Q241 HydrophobicContact CG2-CB 4.18Å; V199-Q241 HydrophobicContact CG2-CG 4.41Å; P238-Q241 PolarHBondContact O-N 2.93Å; P238-Q241 VanDerWaalsContact O-N 3.17Å; K239-Q241 VanDerWaalsContact C-N 3.28Å; K239-Q241 PolarHBondContact O-N 3.42Å
242	P	85.6	Confident	90.2	Very high	86 Å²	86	48 Å²	48	56%	0.558	24%	0.242	S	C	*	.			trans	-69.7	153.1	174.7	30.3	-34.6	0	0	0	110.7	R244	P242-R244 PolarHBondContact O-N 3.18Å
243	L	87.6	Confident	90.1	Very high	15 Å²	15	47.9 Å²	47.9	8%	0.079	24%	0.242	C	C	.	.			trans	-68.3	125.7	176.6	-159.3	82.6	0	0	0	110.1	Y190 F195 R245 L247 L333	Y190-L243 HydrophobicContact CD1-CD1 4.45Å; F195-L243 HydrophobicContact CE1-CD1 3.92Å; F195-L243 HydrophobicContact CE2-CD1 4.05Å; F195-L243 HydrophobicContact CZ-CD1 3.54Å; L243-R245 WeakPolarHBondContact CD2-O 3.49Å; L243-R245 WeakPolarHBondContact CG-O 3.5Å; L243-L247 HydrophobicContact CD1-CB 4.37Å; L243-L247 HydrophobicContact CD2-CB 3.64Å; L243-L333 WeakPolarHBondContact CD2-O 3.5Å
244	R	90	Very high	89.7	Confident	178 Å²	178	50.6 Å²	50.6	67%	0.672	26%	0.26	S	S	*	.	S	Bend	trans	-98.6	-17.1	-179.3	-68.1	-168.4	172.9	-169.1	-1.6	114.3	S194 T196 P242	S194-R244 PolarHBondContact O-N 3.22Å; T196-R244 VanDerWaalsContact CG2-NE 3.33Å; T196-R244 VanDerWaalsContact CG2-NH1 3.33Å; T196-R244 VanDerWaalsContact CG2-NH2 3.28Å; P242-R244 PolarHBondContact O-N 3.18Å
245	R	90.8	Very high	89.1	Confident	147 Å²	147	51.5 Å²	51.5	56%	0.555	27%	0.268	S	S	*	.	S	Bend	trans	-132.3	147.5	178.6	-66.7	-66.8	-167.6	159.6	0.7	108.7	L191 L243 L247	L191-R245 HydrophobicContact CB-CB 4.21Å; L243-R245 WeakPolarHBondContact CD2-O 3.49Å; L243-R245 WeakPolarHBondContact CG-O 3.5Å; R245-L247 PolarHBondContact O-N 3.21Å
246	P	90.3	Very high	88.1	Confident	43 Å²	43	53.6 Å²	53.6	28%	0.279	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-55.6	136.2	-180	-20.4	29.6	0	0	0	112.2	D332 L333 I334	P246-D332 HydrophobicContact CB-CB 4.08Å; P246-L333 CarbonylContact C-O 3.59Å; P246-L333 VanDerWaalsContact CA-O 3.25Å; P246-L333 WeakPolarHBondContact CA-O 3.3Å; P246-I334 HydrophobicContact CB-CG1 4.31Å; P246-I334 HydrophobicContact CG-CG1 4.15Å
247	L	92.5	Very high	86.4	Confident	4 Å²	4	59 Å²	59	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	116.2	169.9	164.7	59.8	0	0	0	107.5	L188 D189 Y190 L243 R245 I249 D332 L333	L188-L247 HydrophobicContact CB-CD1 4.4Å; D189-L247 WeakPolarHBondContact O-CD1 3.34Å; Y190-L247 HydrophobicContact CD1-CD1 3.77Å; Y190-L247 HydrophobicContact CD2-CD1 4Å; Y190-L247 HydrophobicContact CE1-CD1 3.69Å; Y190-L247 HydrophobicContact CE1-CD2 3.85Å; Y190-L247 HydrophobicContact CE1-CG 4.28Å; Y190-L247 HydrophobicContact CE2-CD1 3.94Å; Y190-L247 HydrophobicContact CG-CD1 3.92Å; L243-L247 HydrophobicContact CD1-CB 4.37Å; L243-L247 HydrophobicContact CD2-CB 3.64Å; R245-L247 PolarHBondContact O-N 3.21Å; L247-I249 HydrophobicContact CD1-CG1 4.42Å; L247-I249 HydrophobicContact CD2-CD1 4.06Å; L247-I249 HydrophobicContact CD2-CG1 4.16Å; L247-I249 HydrophobicContact CG-CD1 4.26Å; L247-I249 HydrophobicContact CG-CG1 3.85Å; L247-D332 CarbonylContact O-C 3.6Å; L247-D332 WeakPolarHBondContact O-CA 3.45Å; L247-L333 PolarHBondContact N-O 2.89Å; L247-L333 PolarHBondContact O-N 2.86Å
248	T	94.9	Very high	84.4	Confident	34 Å²	34	66.3 Å²	66.3	21%	0.209	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.2	174.2	-58	0	0	0	0	109.1	D189 D332	D189-T248 PolarHBondContact N-O 3.46Å; D189-T248 PolarHBondContact O-N 2.85Å; T248-D332 VanDerWaalsContact CB-OD1 3.29Å; T248-D332 WeakPolarHBondContact CB-OD1 3.38Å; T248-D332 WeakPolarHBondContact CG2-OD1 3.28Å; T248-D332 PolarHBondContact OG1-OD1 3.49Å
249	I	95.4	Very high	82.5	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.4	178.5	-60.1	-176.2	0	0	0	108.3	L188 L233 L235 L247 L251 S330 F331 L333 L340	L188-I249 HydrophobicContact CD2-CB 4.4Å; L188-I249 HydrophobicContact CD2-CD1 4.25Å; L188-I249 HydrophobicContact CD2-CG1 3.91Å; L188-I249 HydrophobicContact CD2-CG2 4.02Å; L233-I249 HydrophobicContact CD2-CD1 4.41Å; L233-I249 HydrophobicContact CD2-CG2 3.87Å; L235-I249 HydrophobicContact CD1-CD1 3.73Å; L247-I249 HydrophobicContact CD1-CG1 4.42Å; L247-I249 HydrophobicContact CD2-CD1 4.06Å; L247-I249 HydrophobicContact CD2-CG1 4.16Å; L247-I249 HydrophobicContact CG-CD1 4.26Å; L247-I249 HydrophobicContact CG-CG1 3.85Å; I249-L251 HydrophobicContact CG2-CD1 4.46Å; I249-L251 HydrophobicContact CG2-CD2 4.32Å; I249-L251 HydrophobicContact CG2-CG 3.98Å; I249-S330 CarbonylContact O-C 3.56Å; I249-S330 WeakPolarHBondContact O-CA 3.43Å; I249-F331 HydrophobicContact CB-CD2 4.44Å; I249-F331 HydrophobicContact CB-CE1 4.46Å; I249-F331 HydrophobicContact CB-CE2 3.94Å; I249-F331 HydrophobicContact CB-CZ 3.96Å; I249-F331 HydrophobicContact CD1-CE2 4.18Å; I249-F331 HydrophobicContact CG1-CE2 4.48Å; I249-F331 HydrophobicContact CG2-CE1 4.31Å; I249-F331 HydrophobicContact CG2-CE2 4.31Å; I249-F331 HydrophobicContact CG2-CZ 3.84Å; I249-F331 PolarHBondContact N-O 2.84Å; I249-F331 PolarHBondContact O-N 3.15Å; I249-L333 HydrophobicContact CD1-CD1 3.41Å; I249-L333 VanDerWaalsContact CD1-CD1 3.41Å; I249-L333 HydrophobicContact CD1-CG 4.03Å; I249-L333 HydrophobicContact CG1-CD1 4.46Å; I249-L340 HydrophobicContact CD1-CD1 3.36Å
250	T	95.9	Very high	80.6	Confident	9 Å²	9	71 Å²	71	6%	0.055	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.5	172.1	-56	0	0	0	0	109.8	I186 C187 L328 V329	I186-T250 VanDerWaalsContact CA-O 3.31Å; I186-T250 WeakPolarHBondContact CA-O 3.38Å; C187-T250 PolarHBondContact N-O 2.61Å; C187-T250 VanDerWaalsContact N-O 3.15Å; C187-T250 PolarHBondContact O-N 2.9Å; T250-L328 HydrophobicContact CG2-CB 3.98Å; T250-L328 HydrophobicContact CG2-CD1 4.24Å; T250-V329 CarbonylContact C-O 3.58Å; T250-V329 WeakPolarHBondContact CA-O 3.22Å
251	L	95.6	Very high	78.5	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.5	179.5	-68	178.1	0	0	0	111.5	I186 L233 I249 L328 V329 F331 A342	I186-L251 HydrophobicContact CD1-CD2 4.21Å; I186-L251 HydrophobicContact CG1-CD2 4.03Å; I186-L251 HydrophobicContact CG2-CD2 3.88Å; L233-L251 HydrophobicContact CB-CD2 4.18Å; L233-L251 HydrophobicContact CD2-CD2 4.03Å; I249-L251 HydrophobicContact CG2-CD1 4.46Å; I249-L251 HydrophobicContact CG2-CD2 4.32Å; I249-L251 HydrophobicContact CG2-CG 3.98Å; L251-L328 WeakPolarHBondContact O-CA 3.33Å; L251-V329 PolarHBondContact N-O 3.38Å; L251-V329 PolarHBondContact O-N 2.98Å; L251-F331 HydrophobicContact CD1-CE1 3.9Å; L251-F331 HydrophobicContact CD1-CZ 3.95Å; L251-F331 HydrophobicContact CG-CE1 4.3Å; L251-A342 HydrophobicContact CD1-CB 4.37Å
252	P	93.9	Very high	76.3	Confident	7 Å²	7	74.1 Å²	74.1	5%	0.045	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	126.5	170.5	29.5	-31.9	0	0	0	110.9	R185 I186 S230 P231 L328	R185-P252 HydrophobicContact CB-CB 4.41Å; R185-P252 HydrophobicContact CB-CG 4.4Å; I186-P252 HydrophobicContact CG1-CG 4.36Å; S230-P252 VanDerWaalsContact CA-O 3.22Å; S230-P252 WeakPolarHBondContact CA-O 3.46Å; S230-P252 WeakPolarHBondContact CB-O 3.47Å; P231-P252 HydrophobicContact CG-CG 4.12Å; P252-L328 HydrophobicContact CB-CD2 4.07Å
253	C	91.6	Very high	74.1	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	36%	0.363	C	S	.	.			trans	-149.5	81.5	176.7	-172.1	0	0	0	0	109	G327 V329 R344	C253-G327 CarbonylContact C-O 3.54Å; C253-G327 PolarHBondContact N-O 3.39Å; C253-G327 VanDerWaalsContact O-O 3.12Å; C253-V329 HydrophobicContact CB-CB 4.47Å; C253-V329 HydrophobicContact CB-CG2 3.78Å; C253-R344 PolarHBondContact O-NE 2.63Å; C253-R344 VanDerWaalsContact O-NE 3.1Å; C253-R344 PolarHBondContact O-NH2 3.42Å
254	P	86.4	Confident	71.7	Confident	57 Å²	57	85.9 Å²	85.9	37%	0.37	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-67	143.6	-166.4	26.3	-34	0	0	0	112.7	S228	S228-P254 VanDerWaalsContact CB-O 3.3Å; S228-P254 WeakPolarHBondContact CB-O 3.26Å; S228-P254 PolarHBondContact OG-O 2.85Å
255	P	81.4	Confident	69.2	Low	49 Å²	49	87.3 Å²	87.3	32%	0.318	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-73.5	164.1	175.5	31.4	-35.3	0	0	0	112.5	Y257	P255-Y257 PolarHBondContact O-N 3.25Å
256	S	70.5	Confident	66.8	Low	48 Å²	48	88.7 Å²	88.7	34%	0.336	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-66.7	129.4	176.3	180	0	0	0	0	110.8	E258 E301	S256-E258 VanDerWaalsContact C-N 3.32Å; S256-E258 PolarHBondContact OG-N 2.83Å; S256-E301 PolarHBondContact N-OE1 2.69Å
257	Y	55.6	Low	64.4	Low	179 Å²	179	94.2 Å²	94.2	70%	0.702	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-78.2	-12.9	178.9	-73.9	-84.9	0	0	0	113.6	P255 K259 K260	P255-Y257 PolarHBondContact O-N 3.25Å; Y257-K259 PolarHBondContact O-N 3.17Å; Y257-K260 PolarHBondContact O-N 3.44Å
258	E	47.6	Very low	61.8	Low	173 Å²	173	104.8 Å²	104.8	81%	0.808	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-68.2	-12.8	-167.2	-65.8	-165.7	158.5	0	0	115.2	S256	S256-E258 VanDerWaalsContact C-N 3.32Å; S256-E258 PolarHBondContact OG-N 2.83Å
259	K	45.5	Very low	59.2	Low	154 Å²	154	112.1 Å²	112.1	67%	0.67	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-96.9	-6.3	-178.1	-80.1	-179.8	179.3	170.9	0	116	Y257 E261	Y257-K259 PolarHBondContact O-N 3.17Å; K259-E261 VanDerWaalsContact C-N 3.3Å; K259-E261 PolarHBondContact O-N 3.44Å
260	K	39	Very low	56.5	Low	164 Å²	164	115.9 Å²	115.9	71%	0.713	54%	0.535	S	S	*	.	H	α-helix	trans	-71.9	-23.5	178.6	-82.8	-172	177.1	179.9	0	113.4	Y257	Y257-K260 PolarHBondContact O-N 3.44Å
261	E	36.3	Very low	53.9	Low	170 Å²	170	123.6 Å²	123.6	79%	0.794	57%	0.57	S	S	*	*	H	α-helix	trans	-80.2	-29	178.6	-146.5	154.5	-153	0	0	112.5	K259	K259-E261 VanDerWaalsContact C-N 3.3Å; K259-E261 PolarHBondContact O-N 3.44Å
262	G	36	Very low	51	Low	39 Å²	39	132.2 Å²	132.2	40%	0.402	61%	0.61	S	S	.	*	H	α-helix	trans	-71.6	-26.4	175.3	0	0	0	0	0	114.7	R265 K266	G262-R265 PolarHBondContact O-N 3.05Å; G262-K266 PolarHBondContact O-N 3.27Å
263	K	38.4	Very low	48.1	Very low	138 Å²	138	139 Å²	139	60%	0.6	65%	0.651	S	S	*	*	H	α-helix	trans	-68.4	-36.6	177.3	-96.8	-174.2	175.3	-178.9	0	112.4	R265 K266	K263-R265 PolarHBondContact O-N 3.36Å; K263-K266 PolarHBondContact O-N 3.24Å
264	R	37	Very low	45	Very low	211 Å²	211	142.3 Å²	142.3	80%	0.796	69%	0.685	S	S	*	*	H	α-helix	trans	-66.6	-22.8	173.7	-77.9	-176.4	169.6	179.6	-3.2	113.4
265	R	38.7	Very low	42.3	Very low	208 Å²	208	144.7 Å²	144.7	79%	0.785	71%	0.709	S	S	*	*	H	α-helix	trans	-91.1	-23.6	-178.5	-137.2	174.9	-176.9	-178.9	0.8	113.4	G262 K263	G262-R265 PolarHBondContact O-N 3.05Å; K263-R265 PolarHBondContact O-N 3.36Å
266	K	40.2	Very low	40.3	Very low	175 Å²	175	148.7 Å²	148.7	76%	0.761	74%	0.735	S	S	*	*	H	α-helix	trans	-86.4	-25.6	-179.6	-85	-174.6	173.6	-176.1	0	114.6	G262 K263 R268 K269	G262-K266 PolarHBondContact O-N 3.27Å; K263-K266 PolarHBondContact O-N 3.24Å; K266-R268 PolarHBondContact O-N 3.18Å; K266-K269 PolarHBondContact O-N 3.2Å
267	E	39.4	Very low	38.2	Very low	160 Å²	160	150.2 Å²	150.2	75%	0.748	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-68.1	-22.3	173.4	-83.5	174.1	162.4	0	0	113.2
268	R	38.9	Very low	37	Very low	226 Å²	226	149.7 Å²	149.7	85%	0.853	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-82.1	-7.3	176.1	-73.7	-173.7	166.9	-168.7	-3.8	114.9	K266	K266-R268 PolarHBondContact O-N 3.18Å
269	K	38.8	Very low	36.9	Very low	187 Å²	187	146.5 Å²	146.5	81%	0.813	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-117.2	8.1	-176.7	-76.1	-165.5	174.7	-168.8	0	114.5	K266 H271	K266-K269 PolarHBondContact O-N 3.2Å; K269-H271 VanDerWaalsContact C-N 3.32Å
270	A	39	Very low	36.1	Very low	80 Å²	80	144.8 Å²	144.8	66%	0.661	77%	0.769	S	S	*	*	S	Bend	trans	-85.1	-0.5	177.6	0	0	0	0	0	114.1
271	H	41.2	Very low	35.7	Very low	170 Å²	170	144.2 Å²	144.2	79%	0.787	77%	0.773	S	S	*	*	S	Bend	trans	-111.2	76.1	173.1	-69.1	79.7	0	0	0	109.7	K269	K269-H271 VanDerWaalsContact C-N 3.32Å
272	Q	35.2	Very low	35.7	Very low	181 Å²	181	142 Å²	142	85%	0.846	77%	0.773	S	S	*	*	S	Bend	trans	-178.5	110.1	148.5	-99.7	168.7	32.7	0	0	109.5
273	V	32.7	Very low	35.4	Very low	151 Å²	151	146.1 Å²	146.1	92%	0.915	80%	0.796	S	S	*	*			trans	24.6	134.6	138.6	-166.1	0	0	0	0	117
274	G	26.9	Very low	34.8	Very low	68 Å²	68	142.9 Å²	142.9	70%	0.701	80%	0.802	S	S	*	*			cis	154.5	159.7	12	0	0	0	0	0	108.6
275	A	29.7	Very low	34.4	Very low	107 Å²	107	142.9 Å²	142.9	88%	0.884	81%	0.807	S	S	*	*			trans	93.4	139.2	167	0	0	0	0	0	120.5
276	P	38.7	Very low	33.9	Very low	134 Å²	134	139 Å²	139	87%	0.87	81%	0.807	S	S	*	*			trans	-108.6	152.6	-164	32.6	-14.2	0	0	0	113.4
277	G	27.6	Very low	33.7	Very low	80 Å²	80	141.8 Å²	141.8	83%	0.825	81%	0.813	S	S	*	*			trans	-139.5	132	173.9	0	0	0	0	0	111.3
278	D	29.5	Very low	33.5	Very low	168 Å²	168	140.4 Å²	140.4	90%	0.898	81%	0.809	S	S	*	*			trans	-70.9	169.6	-162.2	-104.8	-21.8	0	0	0	117.4
279	P	46.2	Very low	33.6	Very low	106 Å²	106	137.6 Å²	137.6	69%	0.688	81%	0.81	S	S	*	*			trans	-101.5	152.8	-165.8	39.1	-33.9	0	0	0	114.5
280	S	27.6	Very low	33.4	Very low	117 Å²	117	131 Å²	131	82%	0.818	80%	0.795	S	S	*	*			trans	158.1	145.1	150	57.6	0	0	0	0	108.2
281	I	30.9	Very low	33.5	Very low	152 Å²	152	128 Å²	128	78%	0.779	77%	0.771	S	S	*	*			cis	-152.3	150.8	38.1	-74.2	177.2	0	0	0	108.8
282	P	38	Very low	33.6	Very low	125 Å²	125	122.7 Å²	122.7	81%	0.812	74%	0.744	S	S	*	*			trans	-84.7	146.6	-172.6	34.6	-35.1	0	0	0	113
283	S	28.6	Very low	34.3	Very low	125 Å²	125	118.1 Å²	118.1	87%	0.874	73%	0.725	S	S	*	*			trans	-134.3	116.8	166.7	-178	0	0	0	0	111.1
284	G	27	Very low	35.1	Very low	70 Å²	70	120.7 Å²	120.7	72%	0.722	72%	0.718	S	S	*	*			trans	55.2	75.4	150	0	0	0	0	0	118.7	T286	G284-T286 PolarHBondContact O-N 3.22Å; G284-T286 VanDerWaalsContact O-N 3.14Å
285	K	27.9	Very low	35.9	Very low	210 Å²	210	118.2 Å²	118.2	91%	0.913	69%	0.691	S	S	*	*			trans	-73.8	96	161	-83.5	178.6	178.3	170	0	110.2	R287	K285-R287 PolarHBondContact O-N 2.8Å
286	T	28.6	Very low	36.6	Very low	128 Å²	128	121 Å²	121	79%	0.785	69%	0.691	S	S	*	*			trans	-80.7	109.3	155.4	-41.3	0	0	0	0	107.6	G284 I288	G284-T286 PolarHBondContact O-N 3.22Å; G284-T286 VanDerWaalsContact O-N 3.14Å; T286-I288 PolarHBondContact O-N 2.91Å; T286-I288 VanDerWaalsContact O-N 3.09Å
287	R	35.8	Very low	36.8	Very low	233 Å²	233	119.9 Å²	119.9	88%	0.879	67%	0.674	S	S	*	*			trans	-76.7	90	-172.7	-151	-178	-153.8	164.5	3	109.6	K285	K285-R287 PolarHBondContact O-N 2.8Å
288	I	34.4	Very low	37.7	Very low	131 Å²	131	122.4 Å²	122.4	67%	0.672	67%	0.673	S	S	*	*			trans	-105.5	77	165.5	-52.6	176.4	0	0	0	107.1	T286	T286-I288 PolarHBondContact O-N 2.91Å; T286-I288 VanDerWaalsContact O-N 3.09Å
289	L	40.7	Very low	38.8	Very low	166 Å²	166	116 Å²	116	87%	0.869	64%	0.642	S	S	*	*			trans	-116.4	92.7	176.6	-126.7	92.1	0	0	0	108
290	G	35.2	Very low	39.6	Very low	49 Å²	49	117.2 Å²	117.2	51%	0.505	64%	0.643	S	S	.	*	S	Bend	trans	-144.4	-27.6	177	0	0	0	0	0	115.2
291	A	40.8	Very low	42	Very low	18 Å²	18	112.4 Å²	112.4	15%	0.149	61%	0.607	C	S	.	*	S	Bend	trans	-125.2	2.8	-167.7	0	0	0	0	0	115.8	E317	A291-E317 HydrophobicContact CB-CG 4.02Å
292	Y	43.7	Very low	44.7	Very low	57 Å²	57	105.6 Å²	105.6	22%	0.224	57%	0.572	C	S	.	*			trans	-120.1	104.7	-168.2	-55.7	-71.3	0	0	0	111.8	L302 V304 P348 L349	Y292-L302 HydrophobicContact CD1-CD1 3.75Å; Y292-L302 HydrophobicContact CG-CD1 4.14Å; Y292-V304 HydrophobicContact CD1-CG2 4.47Å; Y292-P348 HydrophobicContact CD1-CB 3.99Å; Y292-P348 HydrophobicContact CD1-CG 4.36Å; Y292-P348 HydrophobicContact CD2-CB 4.04Å; Y292-P348 HydrophobicContact CD2-CG 4.36Å; Y292-P348 HydrophobicContact CE1-CB 3.58Å; Y292-P348 HydrophobicContact CE1-CG 4.43Å; Y292-P348 HydrophobicContact CE2-CB 3.66Å; Y292-P348 HydrophobicContact CE2-CG 4.44Å; Y292-P348 HydrophobicContact CG-CB 4.19Å; Y292-P348 HydrophobicContact CG-CG 4.31Å; Y292-L349 PolarHBondContact OH-N 3.05Å; Y292-L349 VanDerWaalsContact OH-N 3.14Å; Y292-L349 PolarHBondContact OH-O 2.59Å
293	L	50.7	Low	47.2	Very low	85 Å²	85	100 Å²	100	45%	0.445	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.5	170.6	-68.9	172.1	0	0	0	109.6
294	R	49.2	Very low	50.2	Low	205 Å²	205	94.3 Å²	94.3	77%	0.774	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	130.8	175.6	-71	-174.2	175.5	-176.3	-1.5	109.6	N296 L302	R294-N296 PolarHBondContact O-N 3.3Å; R294-L302 HydrophobicContact CG-CD2 3.85Å
295	S	43.2	Very low	53.5	Low	17 Å²	17	91.1 Å²	91.1	12%	0.119	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-63.9	128.3	172.5	174.3	0	0	0	0	110.7	E297 E301 N323	S295-E297 PolarHBondContact O-N 2.88Å; S295-E297 VanDerWaalsContact O-N 3.15Å; S295-E301 PolarHBondContact N-O 3.1Å; S295-N323 PolarHBondContact OG-ND2 3.43Å
296	N	44.2	Very low	56.7	Low	165 Å²	165	81.1 Å²	81.1	88%	0.882	42%	0.418	S	S	*	.	S	Bend	trans	-75.2	7.1	-177.2	-86.6	-7.2	0	0	0	115	R294	R294-N296 PolarHBondContact O-N 3.3Å
297	E	43.7	Very low	59.8	Low	110 Å²	110	75 Å²	75	51%	0.514	38%	0.381	S	S	.	.	S	Bend	trans	-118.9	89.7	178.8	-75.2	-172.2	155.4	0	0	111.6	S295 S299	S295-E297 PolarHBondContact O-N 2.88Å; S295-E297 VanDerWaalsContact O-N 3.15Å; E297-S299 WeakPolarHBondContact O-CB 3.45Å; E297-S299 PolarHBondContact O-N 2.97Å; E297-S299 PolarHBondContact O-OG 3.48Å
298	T	46.1	Very low	62.6	Low	133 Å²	133	63.9 Å²	63.9	82%	0.816	34%	0.339	S	S	*	.	S	Bend	trans	47.1	16.9	161.8	61.9	0	0	0	0	118.7
299	S	52.9	Low	65.2	Low	34 Å²	34	62.2 Å²	62.2	24%	0.238	32%	0.324	C	S	.	.			trans	-130.9	126.9	-174	46.2	0	0	0	0	108.8	E297 E301	E297-S299 WeakPolarHBondContact O-CB 3.45Å; E297-S299 PolarHBondContact O-N 2.97Å; E297-S299 PolarHBondContact O-OG 3.48Å; S299-E301 PolarHBondContact O-N 3.15Å
300	N	62.3	Low	67.3	Low	132 Å²	132	59.5 Å²	59.5	71%	0.706	31%	0.31	S	S	*	.			trans	-68.7	23.7	172.5	-71.8	-12.5	0	0	0	112.3
301	E	79.1	Confident	69.7	Low	15 Å²	15	65.3 Å²	65.3	7%	0.07	32%	0.322	C	S	.	.			trans	-86.7	139.9	-175.4	-66.8	176.7	175.6	0	0	110.2	S256 S295 S299 R344 L345 L346	S256-E301 PolarHBondContact N-OE1 2.69Å; S295-E301 PolarHBondContact N-O 3.1Å; S299-E301 PolarHBondContact O-N 3.15Å; E301-R344 HydrophobicContact CB-CG 4.3Å; E301-R344 VanDerWaalsContact OE2-CD 3.28Å; E301-R344 WeakPolarHBondContact OE2-CD 3.46Å; E301-R344 IonicContact OE2-CZ 2.74Å; E301-R344 IonicContact OE2-NE 3.38Å; E301-R344 IonicContact OE2-NH1 3.25Å; E301-R344 PolarHBondContact OE2-NH1 2.9Å; E301-L345 CarbonylContact C-O 3.56Å; E301-L345 WeakPolarHBondContact CA-O 3.28Å; E301-L346 HydrophobicContact CG-CD2 4.29Å
302	L	86.8	Confident	72.1	Confident	9 Å²	9	71.4 Å²	71.4	5%	0.047	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.5	177.9	-59.2	170.5	0	0	0	108.9	Y292 R294 R344 L345 P348	Y292-L302 HydrophobicContact CD1-CD1 3.75Å; Y292-L302 HydrophobicContact CG-CD1 4.14Å; R294-L302 HydrophobicContact CG-CD2 3.85Å; L302-R344 CarbonylContact O-C 3.56Å; L302-R344 WeakPolarHBondContact O-CA 3.42Å; L302-L345 HydrophobicContact CB-CB 4.31Å; L302-L345 PolarHBondContact N-O 2.74Å; L302-L345 PolarHBondContact O-N 3.32Å; L302-P348 HydrophobicContact CD1-CB 4.36Å; L302-P348 HydrophobicContact CD1-CG 3.65Å
303	L	90	Very high	74.6	Confident	9 Å²	9	69.1 Å²	69.1	5%	0.047	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.7	175.6	-75.5	171.4	0	0	0	109.7	N323 V329 R344	L303-N323 HydrophobicContact CD1-CB 3.68Å; L303-V329 HydrophobicContact CD1-CG1 4.06Å; L303-V329 HydrophobicContact CD1-CG2 3.81Å; L303-V329 HydrophobicContact CD2-CG2 3.75Å; L303-V329 HydrophobicContact CG-CG2 4.44Å; L303-R344 HydrophobicContact CD2-CB 3.96Å; L303-R344 HydrophobicContact CD2-CG 4.12Å
304	V	92.9	Very high	76.6	Confident	5 Å²	5	68.1 Å²	68.1	3%	0.03	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.1	178.7	-175.3	0	0	0	0	109.1	Y292 V315 A342 V343 L345 L354	Y292-V304 HydrophobicContact CD1-CG2 4.47Å; V304-V315 HydrophobicContact CG1-CG1 3.61Å; V304-A342 WeakPolarHBondContact O-CA 3.29Å; V304-V343 PolarHBondContact N-O 2.85Å; V304-V343 PolarHBondContact O-N 2.82Å; V304-L345 HydrophobicContact CG2-CD1 3.77Å; V304-L354 HydrophobicContact CG1-CD1 4Å; V304-L354 HydrophobicContact CG2-CD1 4.5Å
305	V	94.6	Very high	78.7	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.012	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.9	174.6	-178.2	0	0	0	0	108.5	L316 T321 F331 L341 A342	V305-L316 HydrophobicContact CG1-CD1 3.89Å; V305-L316 WeakPolarHBondContact O-CB 3.5Å; V305-L316 PolarHBondContact O-N 3.15Å; V305-T321 HydrophobicContact CG2-CG2 3.59Å; V305-F331 HydrophobicContact CG1-CD1 4.47Å; V305-F331 HydrophobicContact CG1-CD2 4.2Å; V305-F331 HydrophobicContact CG1-CE1 4.16Å; V305-F331 HydrophobicContact CG1-CE2 3.86Å; V305-F331 HydrophobicContact CG1-CG 4.48Å; V305-F331 HydrophobicContact CG1-CZ 3.84Å; V305-F331 HydrophobicContact CG2-CD1 3.73Å; V305-F331 HydrophobicContact CG2-CD2 4.5Å; V305-F331 HydrophobicContact CG2-CE1 4Å; V305-F331 HydrophobicContact CG2-CG 4Å; V305-F331 HydrophobicContact CG2-CZ 4.5Å; V305-L341 CarbonylContact C-O 3.55Å; V305-L341 WeakPolarHBondContact CA-O 3.48Å; V305-A342 HydrophobicContact CG2-CB 4.39Å
306	L	95.3	Very high	81	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	143	172.7	-62.7	102.9	0	0	0	110	W313 T314 V315 L340 L341 V343 L354 I355 A358	L306-W313 HydrophobicContact CB-CE3 3.93Å; L306-W313 HydrophobicContact CB-CZ3 4.12Å; L306-T314 VanDerWaalsContact CA-O 3.3Å; L306-T314 WeakPolarHBondContact CA-O 3.18Å; L306-V315 HydrophobicContact CD2-CG2 4.02Å; L306-V315 HydrophobicContact CG-CG2 4.36Å; L306-L340 WeakPolarHBondContact O-CA 3.49Å; L306-L341 HydrophobicContact CB-CB 4.45Å; L306-L341 HydrophobicContact CD1-CD2 4.46Å; L306-L341 PolarHBondContact N-O 3.48Å; L306-L341 PolarHBondContact O-N 3.12Å; L306-V343 HydrophobicContact CD1-CG2 3.73Å; L306-L354 HydrophobicContact CD2-CB 4.01Å; L306-L354 WeakPolarHBondContact CD2-O 3.41Å; L306-I355 HydrophobicContact CD2-CG1 4.39Å; L306-A358 HydrophobicContact CD2-CB 4.21Å
307	G	94.5	Very high	82.6	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.3	174.8	0	0	0	0	0	110.9	T314 R339	G307-T314 PolarHBondContact N-O 2.82Å; G307-T314 PolarHBondContact O-N 3.28Å; G307-T314 PolarHBondContact O-OG1 3.2Å; G307-R339 CarbonylContact C-O 3.6Å; G307-R339 WeakPolarHBondContact CA-O 3.39Å
308	S	93.3	Very high	84	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.6	171.3	-163.2	0	0	0	0	110.1	Q312 D338 R339	S308-Q312 CarbonylContact C-O 3.45Å; S308-Q312 WeakPolarHBondContact CA-O 3.33Å; S308-Q312 PolarHBondContact OG-O 2.9Å; S308-D338 PolarHBondContact O-N 3.36Å; S308-R339 PolarHBondContact N-O 3.22Å; S308-R339 PolarHBondContact OG-NE 3.4Å; S308-R339 PolarHBondContact OG-NH2 3.04Å; S308-R339 VanDerWaalsContact OG-NH2 3.15Å
309	R	89.4	Confident	85.7	Confident	95 Å²	95	56.7 Å²	56.7	36%	0.358	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.2	170.3	176.9	178.8	-64.3	160.9	8.9	108.2	K311 Q312 E335 N336 F337	R309-K311 PolarHBondContact O-N 2.76Å; R309-K311 VanDerWaalsContact O-N 3.09Å; R309-Q312 PolarHBondContact N-O 3.22Å; R309-Q312 PolarHBondContact O-N 2.91Å; R309-E335 IonicContact CZ-OE2 2.63Å; R309-E335 IonicContact NH1-OE2 3.9Å; R309-E335 PolarHBondContact NH1-OE2 3.04Å; R309-E335 VanDerWaalsContact NH2-CB 3.31Å; R309-E335 IonicContact NH2-OE2 2.63Å; R309-E335 PolarHBondContact NH2-OE2 3.34Å; R309-N336 PolarHBondContact NE-O 3.44Å; R309-N336 PolarHBondContact NH2-O 3.11Å; R309-F337 HydrophobicContact CB-CD1 4.37Å
310	D	85.5	Confident	86.9	Confident	109 Å²	109	59.7 Å²	59.7	58%	0.583	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	39.2	177.9	-61.1	-49.9	0	0	0	112.4	K239 Q312 D338	K239-D310 IonicContact NZ-OD1 2.9Å; D310-Q312 VanDerWaalsContact C-N 3.28Å; D310-Q312 PolarHBondContact O-N 2.8Å; D310-D338 PolarHBondContact N-OD2 3.26Å; D310-D338 VanDerWaalsContact N-OD2 3.14Å
311	K	85.2	Confident	88	Confident	172 Å²	172	54.5 Å²	54.5	75%	0.748	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	10.3	-177.6	-51	176.8	179.8	176.4	0	116.6	R309	R309-K311 PolarHBondContact O-N 2.76Å; R309-K311 VanDerWaalsContact O-N 3.09Å
312	Q	91.9	Very high	88.4	Confident	145 Å²	145	59.8 Å²	59.8	68%	0.678	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.9	175.2	-66.7	-177.4	-14.1	0	0	110.8	S308 R309 D310	S308-Q312 CarbonylContact C-O 3.45Å; S308-Q312 WeakPolarHBondContact CA-O 3.33Å; S308-Q312 PolarHBondContact OG-O 2.9Å; R309-Q312 PolarHBondContact N-O 3.22Å; R309-Q312 PolarHBondContact O-N 2.91Å; D310-Q312 VanDerWaalsContact C-N 3.28Å; D310-Q312 PolarHBondContact O-N 2.8Å
313	W	95	Very high	88.3	Confident	9 Å²	9	61.6 Å²	61.6	3%	0.034	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136.1	176.8	-76.4	102	0	0	0	111	L232 L306 R339 L341 I355 A358 E359 E362	L232-W313 HydrophobicContact CD2-CH2 3.61Å; L232-W313 HydrophobicContact CD2-CZ2 3.82Å; L306-W313 HydrophobicContact CB-CE3 3.93Å; L306-W313 HydrophobicContact CB-CZ3 4.12Å; W313-R339 HydrophobicContact CH2-CB 3.54Å; W313-R339 HydrophobicContact CZ2-CB 3.82Å; W313-R339 HydrophobicContact CZ3-CB 4.28Å; W313-L341 HydrophobicContact CH2-CB 4.22Å; W313-L341 HydrophobicContact CZ3-CB 4.08Å; W313-I355 HydrophobicContact CB-CG2 4.02Å; W313-I355 WeakPolarHBondContact O-CD1 3.28Å; W313-A358 HydrophobicContact CD2-CB 3.79Å; W313-A358 HydrophobicContact CE3-CB 4.03Å; W313-A358 HydrophobicContact CG-CB 4.07Å; W313-A358 HydrophobicContact CZ2-CB 4.49Å; W313-A358 HydrophobicContact CZ3-CB 4.47Å; W313-E359 HydrophobicContact CG-CG 4.46Å; W313-E362 PolarHBondContact NE1-OE2 2.83Å
314	T	94.3	Very high	87.9	Confident	64 Å²	64	64.9 Å²	64.9	39%	0.393	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.8	176.2	58.3	0	0	0	0	111	L306 G307	L306-T314 VanDerWaalsContact CA-O 3.3Å; L306-T314 WeakPolarHBondContact CA-O 3.18Å; G307-T314 PolarHBondContact N-O 2.82Å; G307-T314 PolarHBondContact O-N 3.28Å; G307-T314 PolarHBondContact O-OG1 3.2Å
315	V	93.4	Very high	87.3	Confident	21 Å²	21	72.5 Å²	72.5	13%	0.127	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.6	174.2	178	0	0	0	0	109.1	V304 L306 E317 P351 L354 I355	V304-V315 HydrophobicContact CG1-CG1 3.61Å; L306-V315 HydrophobicContact CD2-CG2 4.02Å; L306-V315 HydrophobicContact CG-CG2 4.36Å; V315-E317 HydrophobicContact CG1-CG 4.32Å; V315-E317 PolarHBondContact O-N 2.8Å; V315-P351 HydrophobicContact CG2-CB 3.98Å; V315-L354 HydrophobicContact CG2-CB 4.1Å; V315-L354 HydrophobicContact CG2-CD1 4.12Å; V315-I355 HydrophobicContact CG2-CG1 4.46Å
316	L	91.3	Very high	86.7	Confident	22 Å²	22	80.1 Å²	80.1	12%	0.115	38%	0.381	C	S	.	.			trans	-90.5	83.9	-176	-52.8	-175	0	0	0	110.8	V305 K318 I319 L333 F337 L340	V305-L316 HydrophobicContact CG1-CD1 3.89Å; V305-L316 WeakPolarHBondContact O-CB 3.5Å; V305-L316 PolarHBondContact O-N 3.15Å; L316-K318 PolarHBondContact O-N 2.9Å; L316-I319 HydrophobicContact CB-CB 4.49Å; L316-I319 HydrophobicContact CB-CD1 3.57Å; L316-I319 HydrophobicContact CB-CG1 3.9Å; L316-I319 HydrophobicContact CD1-CD1 3.5Å; L316-I319 VanDerWaalsContact CD1-CD1 3.5Å; L316-I319 HydrophobicContact CG-CD1 4.09Å; L316-L333 HydrophobicContact CD1-CD2 4.16Å; L316-F337 HydrophobicContact CD1-CE2 4.14Å; L316-F337 HydrophobicContact CD1-CZ 4.21Å; L316-F337 HydrophobicContact CD2-CE1 3.63Å; L316-F337 HydrophobicContact CD2-CE2 4.16Å; L316-F337 HydrophobicContact CD2-CZ 3.42Å; L316-F337 VanDerWaalsContact CD2-CZ 3.42Å; L316-F337 HydrophobicContact CG-CZ 4.49Å; L316-L340 HydrophobicContact CD1-CD2 4.24Å
317	E	77.2	Confident	86.2	Confident	112 Å²	112	80.5 Å²	80.5	52%	0.523	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-30.8	-172.1	-60.9	-173.5	160.2	0	0	114.4	A291 V315 I319	A291-E317 HydrophobicContact CB-CG 4.02Å; V315-E317 HydrophobicContact CG1-CG 4.32Å; V315-E317 PolarHBondContact O-N 2.8Å; E317-I319 VanDerWaalsContact C-N 3.32Å; E317-I319 PolarHBondContact O-N 3.26Å
318	K	73.1	Confident	86	Confident	210 Å²	210	82.1 Å²	82.1	91%	0.913	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	10.8	-172.8	-63.2	-178.2	-178.1	175.6	0	114.2	L316	L316-K318 PolarHBondContact O-N 2.9Å
319	I	80.9	Confident	86	Confident	26 Å²	26	82.1 Å²	82.1	13%	0.133	39%	0.394	C	S	.	.			trans	-101.3	128.8	-172.1	-57.2	-165.8	0	0	0	110.7	L316 E317 T321 F331 D332 L333	L316-I319 HydrophobicContact CB-CB 4.49Å; L316-I319 HydrophobicContact CB-CD1 3.57Å; L316-I319 HydrophobicContact CB-CG1 3.9Å; L316-I319 HydrophobicContact CD1-CD1 3.5Å; L316-I319 VanDerWaalsContact CD1-CD1 3.5Å; L316-I319 HydrophobicContact CG-CD1 4.09Å; E317-I319 VanDerWaalsContact C-N 3.32Å; E317-I319 PolarHBondContact O-N 3.26Å; I319-T321 PolarHBondContact O-N 3.09Å; I319-T321 VanDerWaalsContact O-N 3.15Å; I319-F331 HydrophobicContact CG2-CB 3.78Å; I319-F331 HydrophobicContact CG2-CD2 4.43Å; I319-D332 WeakPolarHBondContact CG2-O 3.22Å; I319-L333 HydrophobicContact CD1-CD2 3.45Å; I319-L333 VanDerWaalsContact CD1-CD2 3.45Å
320	V	78.3	Confident	86.2	Confident	96 Å²	96	77.7 Å²	77.7	58%	0.582	38%	0.377	S	S	*	.			trans	-74.8	105	174.4	-177.4	0	0	0	0	108.6
321	T	85.1	Confident	86.7	Confident	23 Å²	23	72.5 Å²	72.5	14%	0.141	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.5	174.5	58.7	0	0	0	0	110	V305 I319 F331	V305-T321 HydrophobicContact CG2-CG2 3.59Å; I319-T321 PolarHBondContact O-N 3.09Å; I319-T321 VanDerWaalsContact O-N 3.15Å; T321-F331 HydrophobicContact CG2-CB 4.16Å
322	R	87.5	Confident	87	Confident	127 Å²	127	66 Å²	66	48%	0.479	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	122.2	-179.7	-41.9	177	-150.4	-141.2	6.5	108.4	V329 S330 D332	R322-V329 WeakPolarHBondContact O-CA 3.14Å; R322-S330 PolarHBondContact N-O 2.92Å; R322-S330 PolarHBondContact O-N 3.36Å; R322-D332 IonicContact CZ-OD2 3.99Å; R322-D332 IonicContact NH2-OD1 3.25Å; R322-D332 IonicContact NH2-OD2 3.98Å; R322-D332 PolarHBondContact NH2-OD2 3.19Å
323	N	85.6	Confident	87	Confident	47 Å²	47	59.3 Å²	59.3	25%	0.251	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	121.4	171.1	-163	10.1	0	0	0	108.2	S295 L303 R344	S295-N323 PolarHBondContact OG-ND2 3.43Å; L303-N323 HydrophobicContact CD1-CB 3.68Å; N323-R344 PolarHBondContact ND2-NH1 2.99Å; N323-R344 PolarHBondContact OD1-NH2 3.01Å
324	Q	82.7	Confident	86.5	Confident	78 Å²	78	64.4 Å²	64.4	36%	0.364	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-102.1	168.1	177.7	-61.9	-169.1	15.9	0	0	110.8	L328 S330	Q324-L328 WeakPolarHBondContact CA-O 3.4Å; Q324-L328 HydrophobicContact CB-CB 4.06Å; Q324-L328 WeakPolarHBondContact CB-O 3.37Å; Q324-L328 PolarHBondContact N-O 3.45Å; Q324-S330 PolarHBondContact NE2-OG 2.81Å
325	K	79.5	Confident	86.2	Confident	164 Å²	164	66.5 Å²	66.5	71%	0.713	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-59.3	157.2	173.1	-63.4	-177.6	-179.1	178.7	0	110.5	G327	K325-G327 VanDerWaalsContact C-N 3.26Å; K325-G327 PolarHBondContact O-N 3.02Å
326	N	81.1	Confident	85.8	Confident	162 Å²	162	67.7 Å²	67.7	87%	0.866	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	64.5	21.4	-179.8	-55	-19.8	0	0	0	115.4	L328	N326-L328 VanDerWaalsContact C-N 3.29Å; N326-L328 PolarHBondContact O-N 3.48Å
327	G	84.9	Confident	85.7	Confident	8 Å²	8	67.6 Å²	67.6	8%	0.082	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	71	26.1	177.3	0	0	0	0	0	113.3	C253 K325	C253-G327 CarbonylContact C-O 3.54Å; C253-G327 PolarHBondContact N-O 3.39Å; C253-G327 VanDerWaalsContact O-O 3.12Å; K325-G327 VanDerWaalsContact C-N 3.26Å; K325-G327 PolarHBondContact O-N 3.02Å
328	L	91.8	Very high	86.4	Confident	34 Å²	34	65.2 Å²	65.2	18%	0.178	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	147.1	170.1	-60.4	178.6	0	0	0	109.4	R185 T250 L251 P252 Q324 N326	R185-L328 HydrophobicContact CB-CD2 3.95Å; T250-L328 HydrophobicContact CG2-CB 3.98Å; T250-L328 HydrophobicContact CG2-CD1 4.24Å; L251-L328 WeakPolarHBondContact O-CA 3.33Å; P252-L328 HydrophobicContact CB-CD2 4.07Å; Q324-L328 WeakPolarHBondContact CA-O 3.4Å; Q324-L328 HydrophobicContact CB-CB 4.06Å; Q324-L328 WeakPolarHBondContact CB-O 3.37Å; Q324-L328 PolarHBondContact N-O 3.45Å; N326-L328 VanDerWaalsContact C-N 3.29Å; N326-L328 PolarHBondContact O-N 3.48Å
329	V	92.9	Very high	87.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.4	176.5	177.7	0	0	0	0	107.7	T250 L251 C253 L303 R322	T250-V329 CarbonylContact C-O 3.58Å; T250-V329 WeakPolarHBondContact CA-O 3.22Å; L251-V329 PolarHBondContact N-O 3.38Å; L251-V329 PolarHBondContact O-N 2.98Å; C253-V329 HydrophobicContact CB-CB 4.47Å; C253-V329 HydrophobicContact CB-CG2 3.78Å; L303-V329 HydrophobicContact CD1-CG1 4.06Å; L303-V329 HydrophobicContact CD1-CG2 3.81Å; L303-V329 HydrophobicContact CD2-CG2 3.75Å; L303-V329 HydrophobicContact CG-CG2 4.44Å; R322-V329 WeakPolarHBondContact O-CA 3.14Å
330	S	93.9	Very high	88.1	Confident	3 Å²	3	56 Å²	56	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.2	175.9	60.2	0	0	0	0	112.4	I249 R322 Q324	I249-S330 CarbonylContact O-C 3.56Å; I249-S330 WeakPolarHBondContact O-CA 3.43Å; R322-S330 PolarHBondContact N-O 2.92Å; R322-S330 PolarHBondContact O-N 3.36Å; Q324-S330 PolarHBondContact NE2-OG 2.81Å
331	F	94.4	Very high	88.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	157.7	179.2	55.3	-90.8	0	0	0	110.4	I249 L251 V305 I319 T321 L333 L340	I249-F331 HydrophobicContact CB-CD2 4.44Å; I249-F331 HydrophobicContact CB-CE1 4.46Å; I249-F331 HydrophobicContact CB-CE2 3.94Å; I249-F331 HydrophobicContact CB-CZ 3.96Å; I249-F331 HydrophobicContact CD1-CE2 4.18Å; I249-F331 HydrophobicContact CG1-CE2 4.48Å; I249-F331 HydrophobicContact CG2-CE1 4.31Å; I249-F331 HydrophobicContact CG2-CE2 4.31Å; I249-F331 HydrophobicContact CG2-CZ 3.84Å; I249-F331 PolarHBondContact N-O 2.84Å; I249-F331 PolarHBondContact O-N 3.15Å; L251-F331 HydrophobicContact CD1-CE1 3.9Å; L251-F331 HydrophobicContact CD1-CZ 3.95Å; L251-F331 HydrophobicContact CG-CE1 4.3Å; V305-F331 HydrophobicContact CG1-CD1 4.47Å; V305-F331 HydrophobicContact CG1-CD2 4.2Å; V305-F331 HydrophobicContact CG1-CE1 4.16Å; V305-F331 HydrophobicContact CG1-CE2 3.86Å; V305-F331 HydrophobicContact CG1-CG 4.48Å; V305-F331 HydrophobicContact CG1-CZ 3.84Å; V305-F331 HydrophobicContact CG2-CD1 3.73Å; V305-F331 HydrophobicContact CG2-CD2 4.5Å; V305-F331 HydrophobicContact CG2-CE1 4Å; V305-F331 HydrophobicContact CG2-CG 4Å; V305-F331 HydrophobicContact CG2-CZ 4.5Å; I319-F331 HydrophobicContact CG2-CB 3.78Å; I319-F331 HydrophobicContact CG2-CD2 4.43Å; T321-F331 HydrophobicContact CG2-CB 4.16Å; F331-L333 HydrophobicContact CD2-CD2 3.8Å; F331-L333 HydrophobicContact CD2-CG 4.11Å; F331-L333 HydrophobicContact CE2-CD1 4.25Å; F331-L333 HydrophobicContact CE2-CD2 3.84Å; F331-L333 HydrophobicContact CE2-CG 4Å; F331-L340 HydrophobicContact CE2-CD1 4.45Å; F331-L340 HydrophobicContact CE2-CD2 4.46Å
332	D	92.8	Very high	89.4	Confident	36 Å²	36	50.3 Å²	50.3	19%	0.193	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128	-175.5	-58.3	-34.7	0	0	0	111	P246 L247 T248 I319 R322	P246-D332 HydrophobicContact CB-CB 4.08Å; L247-D332 CarbonylContact O-C 3.6Å; L247-D332 WeakPolarHBondContact O-CA 3.45Å; T248-D332 VanDerWaalsContact CB-OD1 3.29Å; T248-D332 WeakPolarHBondContact CB-OD1 3.38Å; T248-D332 WeakPolarHBondContact CG2-OD1 3.28Å; T248-D332 PolarHBondContact OG1-OD1 3.49Å; I319-D332 WeakPolarHBondContact CG2-O 3.22Å; R322-D332 IonicContact CZ-OD2 3.99Å; R322-D332 IonicContact NH2-OD1 3.25Å; R322-D332 IonicContact NH2-OD2 3.98Å; R322-D332 PolarHBondContact NH2-OD2 3.19Å
333	L	90.4	Very high	89.7	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.7	176.2	-61.1	-172.4	0	0	0	110.6	L243 P246 L247 I249 L316 I319 F331 F337 L340	L243-L333 WeakPolarHBondContact CD2-O 3.5Å; P246-L333 CarbonylContact C-O 3.59Å; P246-L333 VanDerWaalsContact CA-O 3.25Å; P246-L333 WeakPolarHBondContact CA-O 3.3Å; L247-L333 PolarHBondContact N-O 2.89Å; L247-L333 PolarHBondContact O-N 2.86Å; I249-L333 HydrophobicContact CD1-CD1 3.41Å; I249-L333 VanDerWaalsContact CD1-CD1 3.41Å; I249-L333 HydrophobicContact CD1-CG 4.03Å; I249-L333 HydrophobicContact CG1-CD1 4.46Å; L316-L333 HydrophobicContact CD1-CD2 4.16Å; I319-L333 HydrophobicContact CD1-CD2 3.45Å; I319-L333 VanDerWaalsContact CD1-CD2 3.45Å; F331-L333 HydrophobicContact CD2-CD2 3.8Å; F331-L333 HydrophobicContact CD2-CG 4.11Å; F331-L333 HydrophobicContact CE2-CD1 4.25Å; F331-L333 HydrophobicContact CE2-CD2 3.84Å; F331-L333 HydrophobicContact CE2-CG 4Å; L333-F337 HydrophobicContact CD1-CD2 4.23Å; L333-F337 HydrophobicContact CD2-CD2 4.39Å; L333-F337 HydrophobicContact CD2-CE2 4.44Å; L333-L340 HydrophobicContact CD1-CD1 3.54Å; L333-L340 HydrophobicContact CD1-CD2 3.84Å; L333-L340 HydrophobicContact CD1-CG 4.31Å; L333-L340 HydrophobicContact CD2-CD2 4.45Å
334	I	85.8	Confident	90	Very high	117 Å²	117	42 Å²	42	60%	0.6	21%	0.208	S	C	*	.	S	Bend	trans	-103.1	-23.7	172.6	-60.6	172.1	0	0	0	110.7	P246	P246-I334 HydrophobicContact CB-CG1 4.31Å; P246-I334 HydrophobicContact CG-CG1 4.15Å
335	E	87	Confident	90.4	Very high	108 Å²	108	38.3 Å²	38.3	51%	0.505	19%	0.19	S	C	.	.	S	Bend	trans	-110.5	159.1	179.4	-54.9	-177.5	-174.8	0	0	111.1	R309 F337	R309-E335 IonicContact CZ-OE2 2.63Å; R309-E335 IonicContact NH1-OE2 3.9Å; R309-E335 PolarHBondContact NH1-OE2 3.04Å; R309-E335 VanDerWaalsContact NH2-CB 3.31Å; R309-E335 IonicContact NH2-OE2 2.63Å; R309-E335 PolarHBondContact NH2-OE2 3.34Å; E335-F337 HydrophobicContact CB-CE2 4.13Å
336	N	85.3	Confident	90.9	Very high	46 Å²	46	34.9 Å²	34.9	25%	0.246	18%	0.179	C	C	.	.			trans	-82.4	136.8	176.8	-64.6	-15.7	0	0	0	110.5	R309	R309-N336 PolarHBondContact NE-O 3.44Å; R309-N336 PolarHBondContact NH2-O 3.11Å
337	F	89.9	Confident	91.1	Very high	19 Å²	19	29.7 Å²	29.7	8%	0.083	16%	0.156	C	C	.	.			trans	-131.5	141.5	173	-68.7	-84.3	0	0	0	108.9	R309 L316 L333 E335 L340	R309-F337 HydrophobicContact CB-CD1 4.37Å; L316-F337 HydrophobicContact CD1-CE2 4.14Å; L316-F337 HydrophobicContact CD1-CZ 4.21Å; L316-F337 HydrophobicContact CD2-CE1 3.63Å; L316-F337 HydrophobicContact CD2-CE2 4.16Å; L316-F337 HydrophobicContact CD2-CZ 3.42Å; L316-F337 VanDerWaalsContact CD2-CZ 3.42Å; L316-F337 HydrophobicContact CG-CZ 4.49Å; L333-F337 HydrophobicContact CD1-CD2 4.23Å; L333-F337 HydrophobicContact CD2-CD2 4.39Å; L333-F337 HydrophobicContact CD2-CE2 4.44Å; E335-F337 HydrophobicContact CB-CE2 4.13Å; F337-L340 HydrophobicContact CB-CD2 3.92Å; F337-L340 HydrophobicContact CB-CG 4.32Å; F337-L340 HydrophobicContact CD2-CD2 4.35Å; F337-L340 HydrophobicContact CG-CD2 4.22Å
338	D	91.9	Very high	91.2	Very high	63 Å²	63	33.1 Å²	33.1	34%	0.337	18%	0.177	S	C	.	.	S	Bend	trans	-76.4	-34	-179.4	-58.7	-51.6	0	0	0	111	H234 L235 S308 D310	H234-D338 WeakPolarHBondContact CA-O 3.43Å; L235-D338 PolarHBondContact N-O 3.25Å; S308-D338 PolarHBondContact O-N 3.36Å; D310-D338 PolarHBondContact N-OD2 3.26Å; D310-D338 VanDerWaalsContact N-OD2 3.14Å
339	R	94	Very high	91	Very high	42 Å²	42	32.4 Å²	32.4	16%	0.158	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	146.2	-178.9	-60.1	172.1	-79.3	-146.4	14.9	111.5	L233 H234 G307 S308 W313 E362	L233-R339 CarbonylContact O-C 3.53Å; L233-R339 VanDerWaalsContact O-CA 3.28Å; L233-R339 WeakPolarHBondContact O-CA 3.49Å; H234-R339 VanDerWaalsContact CD2-CG 3.44Å; H234-R339 WeakPolarHBondContact CD2-CG 3.4Å; G307-R339 CarbonylContact C-O 3.6Å; G307-R339 WeakPolarHBondContact CA-O 3.39Å; S308-R339 PolarHBondContact N-O 3.22Å; S308-R339 PolarHBondContact OG-NE 3.4Å; S308-R339 PolarHBondContact OG-NH2 3.04Å; S308-R339 VanDerWaalsContact OG-NH2 3.15Å; W313-R339 HydrophobicContact CH2-CB 3.54Å; W313-R339 HydrophobicContact CZ2-CB 3.82Å; W313-R339 HydrophobicContact CZ3-CB 4.28Å; R339-E362 IonicContact CZ-OE1 3.23Å; R339-E362 IonicContact CZ-OE2 3.38Å; R339-E362 IonicContact NE-OE1 3.32Å; R339-E362 IonicContact NH1-OE1 2.83Å; R339-E362 PolarHBondContact NH1-OE1 3.39Å; R339-E362 IonicContact NH1-OE2 3.82Å; R339-E362 IonicContact NH2-OE1 2.7Å; R339-E362 IonicContact NH2-OE2 3.36Å
340	L	95.5	Very high	90.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.5	-179.2	-64.8	161.7	0	0	0	110.7	L233 L235 I249 L306 L316 F331 L333 F337	L233-L340 HydrophobicContact CB-CB 4.39Å; L233-L340 HydrophobicContact CD2-CD1 4.19Å; L233-L340 PolarHBondContact N-O 2.77Å; L233-L340 PolarHBondContact O-N 3.22Å; L235-L340 HydrophobicContact CD1-CD1 3.54Å; L235-L340 HydrophobicContact CG-CD1 4.4Å; I249-L340 HydrophobicContact CD1-CD1 3.36Å; L306-L340 WeakPolarHBondContact O-CA 3.49Å; L316-L340 HydrophobicContact CD1-CD2 4.24Å; F331-L340 HydrophobicContact CE2-CD1 4.45Å; F331-L340 HydrophobicContact CE2-CD2 4.46Å; L333-L340 HydrophobicContact CD1-CD1 3.54Å; L333-L340 HydrophobicContact CD1-CD2 3.84Å; L333-L340 HydrophobicContact CD1-CG 4.31Å; L333-L340 HydrophobicContact CD2-CD2 4.45Å; F337-L340 HydrophobicContact CB-CD2 3.92Å; F337-L340 HydrophobicContact CB-CG 4.32Å; F337-L340 HydrophobicContact CD2-CD2 4.35Å; F337-L340 HydrophobicContact CG-CD2 4.22Å
341	L	95.9	Very high	90.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	129	177.3	-177	66.7	0	0	0	109.6	A229 S230 L232 V305 L306 W313 V343 A358 L361	A229-L341 HydrophobicContact CB-CD1 4.36Å; S230-L341 WeakPolarHBondContact O-CD1 3.27Å; L232-L341 HydrophobicContact CD2-CB 4.11Å; L232-L341 HydrophobicContact CD2-CD1 4Å; L232-L341 HydrophobicContact CD2-CD2 4.4Å; L232-L341 HydrophobicContact CD2-CG 4.4Å; L232-L341 HydrophobicContact CG-CD1 4.28Å; V305-L341 CarbonylContact C-O 3.55Å; V305-L341 WeakPolarHBondContact CA-O 3.48Å; L306-L341 HydrophobicContact CB-CB 4.45Å; L306-L341 HydrophobicContact CD1-CD2 4.46Å; L306-L341 PolarHBondContact N-O 3.48Å; L306-L341 PolarHBondContact O-N 3.12Å; W313-L341 HydrophobicContact CH2-CB 4.22Å; W313-L341 HydrophobicContact CZ3-CB 4.08Å; L341-V343 HydrophobicContact CD2-CG2 3.93Å; L341-V343 HydrophobicContact CG-CG2 3.94Å; L341-A358 HydrophobicContact CD2-CB 3.89Å; L341-L361 HydrophobicContact CD2-CD1 4.01Å
342	A	94.6	Very high	90.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.1	169.7	0	0	0	0	0	109.8	A229 S230 L251 V304 V305	A229-A342 CarbonylContact C-O 3.6Å; A229-A342 WeakPolarHBondContact CA-O 3.5Å; S230-A342 PolarHBondContact N-O 3.49Å; S230-A342 PolarHBondContact OG-N 2.8Å; L251-A342 HydrophobicContact CD1-CB 4.37Å; V304-A342 WeakPolarHBondContact O-CA 3.29Å; V305-A342 HydrophobicContact CG2-CB 4.39Å
343	V	93.7	Very high	90.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.9	-178.2	-174.5	0	0	0	0	109.4	V226 V304 L306 L341 L345 L357	V226-V343 HydrophobicContact CG1-CG1 3.74Å; V304-V343 PolarHBondContact N-O 2.85Å; V304-V343 PolarHBondContact O-N 2.82Å; L306-V343 HydrophobicContact CD1-CG2 3.73Å; L341-V343 HydrophobicContact CD2-CG2 3.93Å; L341-V343 HydrophobicContact CG-CG2 3.94Å; V343-L345 HydrophobicContact CG1-CD2 3.72Å; V343-L345 HydrophobicContact CG1-CG 4.32Å; V343-L357 HydrophobicContact CG1-CD2 4.2Å; V343-L357 HydrophobicContact CG2-CD2 4.47Å
344	R	91.9	Very high	90.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.2	175.2	-174.1	-178.8	-70.4	-80.6	-3.7	109.6	V227 S228 C253 E301 L302 L303 N323	V227-R344 HydrophobicContact CB-CB 4.29Å; V227-R344 HydrophobicContact CB-CG 4.14Å; V227-R344 WeakPolarHBondContact CB-O 3.42Å; V227-R344 HydrophobicContact CG2-CG 4.48Å; V227-R344 PolarHBondContact N-O 3.25Å; S228-R344 PolarHBondContact O-N 3.07Å; C253-R344 PolarHBondContact O-NE 2.63Å; C253-R344 VanDerWaalsContact O-NE 3.1Å; C253-R344 PolarHBondContact O-NH2 3.42Å; E301-R344 HydrophobicContact CB-CG 4.3Å; E301-R344 VanDerWaalsContact OE2-CD 3.28Å; E301-R344 WeakPolarHBondContact OE2-CD 3.46Å; E301-R344 IonicContact OE2-CZ 2.74Å; E301-R344 IonicContact OE2-NE 3.38Å; E301-R344 IonicContact OE2-NH1 3.25Å; E301-R344 PolarHBondContact OE2-NH1 2.9Å; L302-R344 CarbonylContact O-C 3.56Å; L302-R344 WeakPolarHBondContact O-CA 3.42Å; L303-R344 HydrophobicContact CD2-CB 3.96Å; L303-R344 HydrophobicContact CD2-CG 4.12Å; N323-R344 PolarHBondContact ND2-NH1 2.99Å; N323-R344 PolarHBondContact OD1-NH2 3.01Å
345	L	91.1	Very high	91.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.1	-174.1	-52.5	170.4	0	0	0	111.1	S225 V226 E301 L302 V304 V343 S347 L349 L354	S225-L345 CarbonylContact O-C 3.6Å; S225-L345 VanDerWaalsContact O-CA 3.28Å; S225-L345 WeakPolarHBondContact O-CA 3.39Å; V226-L345 HydrophobicContact CB-CD2 4.26Å; V226-L345 HydrophobicContact CG2-CD2 3.72Å; E301-L345 CarbonylContact C-O 3.56Å; E301-L345 WeakPolarHBondContact CA-O 3.28Å; L302-L345 HydrophobicContact CB-CB 4.31Å; L302-L345 PolarHBondContact N-O 2.74Å; L302-L345 PolarHBondContact O-N 3.32Å; V304-L345 HydrophobicContact CG2-CD1 3.77Å; V343-L345 HydrophobicContact CG1-CD2 3.72Å; V343-L345 HydrophobicContact CG1-CG 4.32Å; L345-S347 WeakPolarHBondContact CB-O 3.3Å; L345-L349 HydrophobicContact CD1-CB 4.2Å; L345-L354 HydrophobicContact CD1-CD2 4.01Å; L345-L354 HydrophobicContact CD2-CD2 4.12Å
346	L	89.4	Confident	91.5	Very high	91 Å²	91	40.5 Å²	40.5	48%	0.476	22%	0.219	S	C	.	.	S	Bend	trans	-81.9	-28.9	168.3	-66.6	178.3	0	0	0	112.4	S225 V227 E301	S225-L346 PolarHBondContact O-N 3.19Å; V227-L346 HydrophobicContact CG2-CB 4.49Å; V227-L346 HydrophobicContact CG2-CD1 4.31Å; V227-L346 HydrophobicContact CG2-CD2 3.54Å; V227-L346 HydrophobicContact CG2-CG 3.44Å; V227-L346 VanDerWaalsContact CG2-CG 3.44Å; E301-L346 HydrophobicContact CG-CD2 4.29Å
347	S	86.7	Confident	91.9	Very high	54 Å²	54	38.3 Å²	38.3	38%	0.378	21%	0.207	S	C	.	.	S	Bend	trans	-142.9	153.8	-179	58.8	0	0	0	0	110.9	S225 L345 L349	S225-S347 WeakPolarHBondContact CB-OG 3.36Å; L345-S347 WeakPolarHBondContact CB-O 3.3Å; S347-L349 PolarHBondContact O-N 3.36Å
348	P	86.5	Confident	92.1	Very high	80 Å²	80	37.4 Å²	37.4	52%	0.519	20%	0.203	S	C	.	.			trans	-52.8	131.6	175.1	-29.4	38	0	0	0	112.4	Y292 L302	Y292-P348 HydrophobicContact CD1-CB 3.99Å; Y292-P348 HydrophobicContact CD1-CG 4.36Å; Y292-P348 HydrophobicContact CD2-CB 4.04Å; Y292-P348 HydrophobicContact CD2-CG 4.36Å; Y292-P348 HydrophobicContact CE1-CB 3.58Å; Y292-P348 HydrophobicContact CE1-CG 4.43Å; Y292-P348 HydrophobicContact CE2-CB 3.66Å; Y292-P348 HydrophobicContact CE2-CG 4.44Å; Y292-P348 HydrophobicContact CG-CB 4.19Å; Y292-P348 HydrophobicContact CG-CG 4.31Å; L302-P348 HydrophobicContact CD1-CB 4.36Å; L302-P348 HydrophobicContact CD1-CG 3.65Å
349	L	87.3	Confident	92.2	Very high	18 Å²	18	38.9 Å²	38.9	9%	0.094	21%	0.209	C	C	.	.			trans	-121.8	134	176.8	-162.4	82.1	0	0	0	110.4	A222 Y223 Y292 L345 S347 R353 L354	A222-L349 WeakPolarHBondContact O-CD1 3.34Å; Y223-L349 HydrophobicContact CD1-CD2 4.47Å; Y292-L349 PolarHBondContact OH-N 3.05Å; Y292-L349 VanDerWaalsContact OH-N 3.14Å; Y292-L349 PolarHBondContact OH-O 2.59Å; L345-L349 HydrophobicContact CD1-CB 4.2Å; S347-L349 PolarHBondContact O-N 3.36Å; L349-R353 HydrophobicContact CD2-CB 3.6Å; L349-R353 HydrophobicContact CG-CB 3.91Å; L349-L354 HydrophobicContact CB-CD2 4.12Å; L349-L354 HydrophobicContact CB-CG 4.16Å; L349-L354 HydrophobicContact CD2-CD2 3.71Å; L349-L354 HydrophobicContact CD2-CG 3.94Å; L349-L354 HydrophobicContact CG-CD2 4.5Å; L349-L354 HydrophobicContact CG-CG 4.47Å; L349-L354 WeakPolarHBondContact O-CD1 3.49Å
350	Q	89.2	Confident	92.1	Very high	127 Å²	127	39.4 Å²	39.4	59%	0.593	21%	0.213	S	C	*	.			trans	-52.5	139.1	-179.5	-69.5	-177	-25.5	0	0	112.3	C352 R353 L354	Q350-C352 VanDerWaalsContact C-N 3.27Å; Q350-C352 PolarHBondContact O-N 2.75Å; Q350-R353 HydrophobicContact CB-CG 4.29Å; Q350-R353 WeakPolarHBondContact O-CB 3.45Å; Q350-R353 PolarHBondContact O-N 2.85Å; Q350-L354 PolarHBondContact O-N 3.23Å
351	P	91.1	Very high	92	Very high	53 Å²	53	39.4 Å²	39.4	34%	0.344	21%	0.213	S	C	.	.	H	α-helix	trans	-53.9	-39.1	-177.4	-29.6	35.7	0	0	0	114.4	V315 R353 L354 I355	V315-P351 HydrophobicContact CG2-CB 3.98Å; P351-R353 VanDerWaalsContact C-N 3.27Å; P351-R353 PolarHBondContact O-N 2.73Å; P351-L354 PolarHBondContact O-N 3.32Å; P351-I355 VanDerWaalsContact O-CG1 3.29Å; P351-I355 WeakPolarHBondContact O-CG1 3.48Å; P351-I355 PolarHBondContact O-N 2.93Å
352	C	92.3	Very high	91.7	Very high	76 Å²	76	41.6 Å²	41.6	51%	0.514	22%	0.223	S	C	.	.	H	α-helix	trans	-60.6	-34.7	177.2	57.4	0	0	0	0	113.1	Q350 A356	Q350-C352 VanDerWaalsContact C-N 3.27Å; Q350-C352 PolarHBondContact O-N 2.75Å; C352-A356 WeakPolarHBondContact O-CB 3.47Å; C352-A356 PolarHBondContact O-N 3.44Å
353	R	92.8	Very high	91.4	Very high	110 Å²	110	43.7 Å²	43.7	42%	0.415	24%	0.24	S	C	.	.	H	α-helix	trans	-74.9	-34.6	176.9	-60.4	-61.1	-174.6	177.9	2.7	111.8	Y223 L349 Q350 P351 L357	Y223-R353 WeakPolarHBondContact CE1-O 3.32Å; L349-R353 HydrophobicContact CD2-CB 3.6Å; L349-R353 HydrophobicContact CG-CB 3.91Å; Q350-R353 HydrophobicContact CB-CG 4.29Å; Q350-R353 WeakPolarHBondContact O-CB 3.45Å; Q350-R353 PolarHBondContact O-N 2.85Å; P351-R353 VanDerWaalsContact C-N 3.27Å; P351-R353 PolarHBondContact O-N 2.73Å; R353-L357 WeakPolarHBondContact O-CB 3.4Å; R353-L357 PolarHBondContact O-N 3.05Å
354	L	93	Very high	91.2	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-68.1	-38.4	174.2	-67.9	170.4	0	0	0	111.9	V304 L306 V315 L345 L349 Q350 P351 L357 A358	V304-L354 HydrophobicContact CG1-CD1 4Å; V304-L354 HydrophobicContact CG2-CD1 4.5Å; L306-L354 HydrophobicContact CD2-CB 4.01Å; L306-L354 WeakPolarHBondContact CD2-O 3.41Å; V315-L354 HydrophobicContact CG2-CB 4.1Å; V315-L354 HydrophobicContact CG2-CD1 4.12Å; L345-L354 HydrophobicContact CD1-CD2 4.01Å; L345-L354 HydrophobicContact CD2-CD2 4.12Å; L349-L354 HydrophobicContact CB-CD2 4.12Å; L349-L354 HydrophobicContact CB-CG 4.16Å; L349-L354 HydrophobicContact CD2-CD2 3.71Å; L349-L354 HydrophobicContact CD2-CG 3.94Å; L349-L354 HydrophobicContact CG-CD2 4.5Å; L349-L354 HydrophobicContact CG-CG 4.47Å; L349-L354 WeakPolarHBondContact O-CD1 3.49Å; Q350-L354 PolarHBondContact O-N 3.23Å; P351-L354 PolarHBondContact O-N 3.32Å; L354-L357 WeakPolarHBondContact O-CB 3.33Å; L354-L357 PolarHBondContact O-N 2.89Å; L354-A358 PolarHBondContact O-N 2.84Å; L354-A358 VanDerWaalsContact O-N 3.07Å
355	I	94.3	Very high	91	Very high	44 Å²	44	44.9 Å²	44.9	23%	0.226	25%	0.25	C	C	.	.	H	α-helix	trans	-62.7	-49.9	173.7	-70.1	167.2	0	0	0	110	L306 W313 V315 P351 L357 A358 E359	L306-I355 HydrophobicContact CD2-CG1 4.39Å; W313-I355 HydrophobicContact CB-CG2 4.02Å; W313-I355 WeakPolarHBondContact O-CD1 3.28Å; V315-I355 HydrophobicContact CG2-CG1 4.46Å; P351-I355 VanDerWaalsContact O-CG1 3.29Å; P351-I355 WeakPolarHBondContact O-CG1 3.48Å; P351-I355 PolarHBondContact O-N 2.93Å; I355-L357 VanDerWaalsContact C-N 3.31Å; I355-L357 PolarHBondContact O-N 3.32Å; I355-A358 PolarHBondContact O-N 3.02Å; I355-A358 VanDerWaalsContact O-N 3.11Å; I355-E359 WeakPolarHBondContact O-CG 3.21Å; I355-E359 PolarHBondContact O-N 2.92Å
356	A	94.4	Very high	90.6	Very high	25 Å²	25	46.3 Å²	46.3	21%	0.207	26%	0.26	C	S	.	.	H	α-helix	trans	-58.7	-41	176.2	0	0	0	0	0	112.3	C352 A358 E359 E360	C352-A356 WeakPolarHBondContact O-CB 3.47Å; C352-A356 PolarHBondContact O-N 3.44Å; A356-A358 VanDerWaalsContact C-N 3.35Å; A356-A358 PolarHBondContact O-N 2.8Å; A356-E359 PolarHBondContact O-N 2.85Å; A356-E360 WeakPolarHBondContact O-CB 3.44Å; A356-E360 WeakPolarHBondContact O-CG 3.47Å; A356-E360 PolarHBondContact O-N 2.8Å
357	L	94.5	Very high	90.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58	-45.4	174.4	176.8	70.9	0	0	0	111.9	V216 Y223 V226 V343 R353 L354 I355 E360 L361	V216-L357 HydrophobicContact CG1-CD1 3.82Å; Y223-L357 HydrophobicContact CD1-CB 4.26Å; Y223-L357 HydrophobicContact CD1-CD1 4.1Å; Y223-L357 HydrophobicContact CD2-CD1 4.01Å; Y223-L357 HydrophobicContact CE1-CB 3.88Å; Y223-L357 HydrophobicContact CE1-CD1 4.33Å; Y223-L357 HydrophobicContact CE2-CD1 4.22Å; Y223-L357 HydrophobicContact CG-CD1 3.96Å; V226-L357 HydrophobicContact CG1-CD2 4.23Å; V226-L357 HydrophobicContact CG2-CD2 3.72Å; V343-L357 HydrophobicContact CG1-CD2 4.2Å; V343-L357 HydrophobicContact CG2-CD2 4.47Å; R353-L357 WeakPolarHBondContact O-CB 3.4Å; R353-L357 PolarHBondContact O-N 3.05Å; L354-L357 WeakPolarHBondContact O-CB 3.33Å; L354-L357 PolarHBondContact O-N 2.89Å; I355-L357 VanDerWaalsContact C-N 3.31Å; I355-L357 PolarHBondContact O-N 3.32Å; L357-E360 PolarHBondContact O-N 2.89Å; L357-L361 HydrophobicContact CD1-CD1 4.19Å; L357-L361 HydrophobicContact CD1-CG 4.32Å; L357-L361 HydrophobicContact CG-CD1 3.98Å; L357-L361 HydrophobicContact CG-CG 4.48Å; L357-L361 WeakPolarHBondContact O-CB 3.47Å; L357-L361 VanDerWaalsContact O-CG 3.24Å; L357-L361 WeakPolarHBondContact O-CG 3.08Å; L357-L361 PolarHBondContact O-N 2.97Å
358	A	94.1	Very high	90.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-43.3	179.5	0	0	0	0	0	111.8	L306 W313 L341 L354 I355 A356 L361 E362	L306-A358 HydrophobicContact CD2-CB 4.21Å; W313-A358 HydrophobicContact CD2-CB 3.79Å; W313-A358 HydrophobicContact CE3-CB 4.03Å; W313-A358 HydrophobicContact CG-CB 4.07Å; W313-A358 HydrophobicContact CZ2-CB 4.49Å; W313-A358 HydrophobicContact CZ3-CB 4.47Å; L341-A358 HydrophobicContact CD2-CB 3.89Å; L354-A358 PolarHBondContact O-N 2.84Å; L354-A358 VanDerWaalsContact O-N 3.07Å; I355-A358 PolarHBondContact O-N 3.02Å; I355-A358 VanDerWaalsContact O-N 3.11Å; A356-A358 VanDerWaalsContact C-N 3.35Å; A356-A358 PolarHBondContact O-N 2.8Å; A358-L361 PolarHBondContact O-N 2.83Å; A358-E362 WeakPolarHBondContact O-CB 3.24Å; A358-E362 PolarHBondContact O-N 2.88Å
359	E	93.4	Very high	91	Very high	95 Å²	95	45 Å²	45	44%	0.444	24%	0.238	S	C	.	.	H	α-helix	trans	-62.9	-43.1	175.4	-69.3	175.2	168.3	0	0	112	W313 I355 A356 E362 A363	W313-E359 HydrophobicContact CG-CG 4.46Å; I355-E359 WeakPolarHBondContact O-CG 3.21Å; I355-E359 PolarHBondContact O-N 2.92Å; A356-E359 PolarHBondContact O-N 2.85Å; E359-E362 PolarHBondContact O-N 2.69Å; E359-A363 VanDerWaalsContact O-CB 3.28Å; E359-A363 WeakPolarHBondContact O-CB 3.45Å; E359-A363 PolarHBondContact O-N 2.91Å
360	E	92.9	Very high	91.4	Very high	53 Å²	53	44.2 Å²	44.2	25%	0.248	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-38.7	178	-77.5	-173.8	-128.5	0	0	112.6	V216 Y223 A356 L357 S364	V216-E360 HydrophobicContact CG1-CB 3.98Å; Y223-E360 PolarHBondContact OH-OE1 2.8Å; A356-E360 WeakPolarHBondContact O-CB 3.44Å; A356-E360 WeakPolarHBondContact O-CG 3.47Å; A356-E360 PolarHBondContact O-N 2.8Å; L357-E360 PolarHBondContact O-N 2.89Å; E360-S364 WeakPolarHBondContact O-CB 3.44Å; E360-S364 PolarHBondContact O-N 2.94Å; E360-S364 PolarHBondContact O-OG 3.26Å
361	L	92.8	Very high	91.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-46.3	174.5	-76.5	170.2	0	0	0	111	V208 L212 L213 V216 A229 L341 L357 A358 S364 A365	V208-L361 HydrophobicContact CG1-CD2 3.94Å; L212-L361 HydrophobicContact CG-CD2 4.35Å; L213-L361 HydrophobicContact CD1-CD2 4.14Å; V216-L361 HydrophobicContact CB-CD2 4.28Å; V216-L361 HydrophobicContact CG2-CD2 3.97Å; A229-L361 HydrophobicContact CB-CD1 4.36Å; L341-L361 HydrophobicContact CD2-CD1 4.01Å; L357-L361 HydrophobicContact CD1-CD1 4.19Å; L357-L361 HydrophobicContact CD1-CG 4.32Å; L357-L361 HydrophobicContact CG-CD1 3.98Å; L357-L361 HydrophobicContact CG-CG 4.48Å; L357-L361 WeakPolarHBondContact O-CB 3.47Å; L357-L361 VanDerWaalsContact O-CG 3.24Å; L357-L361 WeakPolarHBondContact O-CG 3.08Å; L357-L361 PolarHBondContact O-N 2.97Å; A358-L361 PolarHBondContact O-N 2.83Å; L361-S364 PolarHBondContact O-N 2.98Å; L361-A365 WeakPolarHBondContact O-CB 3.49Å; L361-A365 PolarHBondContact O-N 2.91Å
362	E	90.1	Very high	92	Very high	46 Å²	46	36 Å²	36	22%	0.215	19%	0.192	C	C	.	.	H	α-helix	trans	-60.1	-48.4	176.4	-178.6	174.2	-163.5	0	0	111.3	L232 W313 R339 A358 E359 S364 A365	L232-E362 HydrophobicContact CD1-CB 4.19Å; W313-E362 PolarHBondContact NE1-OE2 2.83Å; R339-E362 IonicContact CZ-OE1 3.23Å; R339-E362 IonicContact CZ-OE2 3.38Å; R339-E362 IonicContact NE-OE1 3.32Å; R339-E362 IonicContact NH1-OE1 2.83Å; R339-E362 PolarHBondContact NH1-OE1 3.39Å; R339-E362 IonicContact NH1-OE2 3.82Å; R339-E362 IonicContact NH2-OE1 2.7Å; R339-E362 IonicContact NH2-OE2 3.36Å; A358-E362 WeakPolarHBondContact O-CB 3.24Å; A358-E362 PolarHBondContact O-N 2.88Å; E359-E362 PolarHBondContact O-N 2.69Å; E362-S364 PolarHBondContact O-N 2.84Å; E362-A365 PolarHBondContact O-N 3.42Å
363	A	88.6	Confident	92.1	Very high	43 Å²	43	32.5 Å²	32.5	36%	0.355	17%	0.168	S	C	.	.	H	α-helix	trans	-66.6	-36.1	178.7	0	0	0	0	0	112.7	E359 A365	E359-A363 VanDerWaalsContact O-CB 3.28Å; E359-A363 WeakPolarHBondContact O-CB 3.45Å; E359-A363 PolarHBondContact O-N 2.91Å; A363-A365 VanDerWaalsContact C-N 3.35Å
364	S	89.8	Confident	92.1	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-77	-22	-178.6	-60.6	0	0	0	0	112.9	R219 E360 L361 E362 C366 R367	R219-S364 PolarHBondContact NH1-OG 2.69Å; E360-S364 WeakPolarHBondContact O-CB 3.44Å; E360-S364 PolarHBondContact O-N 2.94Å; E360-S364 PolarHBondContact O-OG 3.26Å; L361-S364 PolarHBondContact O-N 2.98Å; E362-S364 PolarHBondContact O-N 2.84Å; S364-C366 PolarHBondContact O-N 2.85Å; S364-R367 WeakPolarHBondContact O-CB 3.48Å; S364-R367 PolarHBondContact O-N 3.43Å
365	A	86.2	Confident	92	Very high	23 Å²	23	29.4 Å²	29.4	19%	0.19	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-13.9	179.1	0	0	0	0	0	114	Q206 L212 L361 E362 A363	Q206-A365 HydrophobicContact CG-CB 4.23Å; L212-A365 HydrophobicContact CD2-CB 4Å; L361-A365 WeakPolarHBondContact O-CB 3.49Å; L361-A365 PolarHBondContact O-N 2.91Å; E362-A365 PolarHBondContact O-N 3.42Å; A363-A365 VanDerWaalsContact C-N 3.35Å
366	C	83.6	Confident	91.6	Very high	30 Å²	30	29 Å²	29	20%	0.203	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	1.9	171.3	-54.4	0	0	0	0	113	S364	S364-C366 PolarHBondContact O-N 2.85Å
367	R	88.9	Confident	90.7	Very high	103 Å²	103	28.9 Å²	28.9	39%	0.389	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.1	-177.4	-74.4	178.6	178.5	149.4	-2.6	110	S364 S415	S364-R367 WeakPolarHBondContact O-CB 3.48Å; S364-R367 PolarHBondContact O-N 3.43Å; R367-S415 WeakPolarHBondContact CB-OG 3.46Å
368	H	90.4	Very high	89.6	Confident	41 Å²	41	39.2 Å²	39.2	19%	0.19	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.2	177.2	-60.4	-78.2	0	0	0	109.6	V370 S415 L416 F450	H368-V370 HydrophobicContact CB-CG2 4.23Å; H368-S415 WeakPolarHBondContact O-CA 3.38Å; H368-L416 PolarHBondContact N-O 2.74Å; H368-L416 PolarHBondContact O-N 3.29Å; H368-F450 HydrophobicContact CB-CE1 3.86Å; H368-F450 HydrophobicContact CB-CZ 3.81Å; H368-F450 AromaticContact CD2-CE1 3.91Å
369	P	92.3	Very high	88.7	Confident	54 Å²	54	43.2 Å²	43.2	35%	0.351	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	128.6	164.8	27	-31	0	0	0	109.4	P390 S391 E413	P369-P390 CarbonylContact O-C 3.55Å; P369-P390 WeakPolarHBondContact O-CA 3.46Å; P369-S391 PolarHBondContact O-N 3.47Å; P369-E413 HydrophobicContact CB-CG 3.78Å; P369-E413 WeakPolarHBondContact CB-OE2 3.34Å
370	V	95.1	Very high	88.2	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.2	-172.3	178.1	0	0	0	0	109.6	H368 A388 L389 I414 L416 F450	H368-V370 HydrophobicContact CB-CG2 4.23Å; V370-A388 HydrophobicContact CG1-CB 3.89Å; V370-L389 CarbonylContact C-O 3.54Å; V370-L389 VanDerWaalsContact CA-O 3.32Å; V370-L389 WeakPolarHBondContact CA-O 3.46Å; V370-I414 HydrophobicContact CB-CG1 4.28Å; V370-I414 PolarHBondContact N-O 3.07Å; V370-I414 VanDerWaalsContact O-CG1 3.26Å; V370-I414 WeakPolarHBondContact O-CG1 3.35Å; V370-I414 PolarHBondContact O-N 3.42Å; V370-L416 HydrophobicContact CB-CD1 4.19Å; V370-L416 HydrophobicContact CB-CG 4.44Å; V370-L416 HydrophobicContact CG1-CD1 4.05Å; V370-L416 HydrophobicContact CG2-CB 4.18Å; V370-L416 HydrophobicContact CG2-CD1 4.23Å; V370-L416 HydrophobicContact CG2-CG 4.38Å; V370-F450 HydrophobicContact CB-CE2 4.44Å; V370-F450 HydrophobicContact CG1-CD2 4.37Å; V370-F450 HydrophobicContact CG1-CE2 4.17Å; V370-F450 HydrophobicContact CG2-CD2 4.01Å; V370-F450 HydrophobicContact CG2-CE1 4.14Å; V370-F450 HydrophobicContact CG2-CE2 3.34Å; V370-F450 HydrophobicContact CG2-CZ 3.41Å; V370-F450 VanDerWaalsContact CG2-CZ 3.41Å
371	T	95.9	Very high	87.7	Confident	9 Å²	9	41.6 Å²	41.6	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.6	170.1	-56.6	0	0	0	0	109	V373 L389 L394 S411	T371-V373 HydrophobicContact CG2-CG2 4.19Å; T371-L389 PolarHBondContact N-O 3.13Å; T371-L389 PolarHBondContact O-N 3.19Å; T371-L394 HydrophobicContact CG2-CD1 4.24Å; T371-S411 WeakPolarHBondContact CG2-O 3.48Å
372	V	95.9	Very high	87.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	125.6	171.6	-176	0	0	0	0	108.1	A387 S411 I414 L422 F482 L512	V372-A387 CarbonylContact C-O 3.58Å; V372-A387 WeakPolarHBondContact CA-O 3.45Å; V372-S411 PolarHBondContact N-OG 2.9Å; V372-S411 PolarHBondContact O-N 2.91Å; V372-S411 PolarHBondContact O-OG 3.17Å; V372-I414 HydrophobicContact CG2-CD1 3.86Å; V372-L422 HydrophobicContact CG2-CD1 3.77Å; V372-F482 HydrophobicContact CG1-CD1 4.36Å; V372-F482 HydrophobicContact CG1-CE1 3.85Å; V372-F482 HydrophobicContact CG1-CE2 4.1Å; V372-F482 HydrophobicContact CG1-CZ 3.72Å; V372-L512 HydrophobicContact CB-CD1 4.41Å; V372-L512 HydrophobicContact CG1-CD1 3.93Å
373	V	94.4	Very high	87.2	Confident	1 Å²	1	42 Å²	42	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.7	-177.1	-177.7	0	0	0	0	109.2	T371 L386 A387 L389 L398 L401 V408 E409 T410	T371-V373 HydrophobicContact CG2-CG2 4.19Å; V373-L386 CarbonylContact O-C 3.57Å; V373-L386 WeakPolarHBondContact O-CA 3.42Å; V373-A387 PolarHBondContact N-O 2.76Å; V373-A387 PolarHBondContact O-N 3.09Å; V373-L389 HydrophobicContact CB-CD1 4.21Å; V373-L389 HydrophobicContact CG2-CD1 3.6Å; V373-L389 HydrophobicContact CG2-CG 4.11Å; V373-L398 HydrophobicContact CG1-CD2 3.85Å; V373-L398 HydrophobicContact CG2-CD2 3.86Å; V373-L401 HydrophobicContact CG1-CD1 3.96Å; V373-V408 HydrophobicContact CG1-CG1 3.42Å; V373-V408 VanDerWaalsContact CG1-CG1 3.42Å; V373-E409 CarbonylContact C-O 3.59Å; V373-E409 WeakPolarHBondContact CA-O 3.38Å; V373-T410 HydrophobicContact CG1-CG2 4.37Å; V373-T410 HydrophobicContact CG2-CG2 4.04Å
374	L	93	Very high	87.3	Confident	1 Å²	1	40 Å²	40	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.6	174.3	-175.4	150.5	0	0	0	109.2	R376 V384 L386 V408 E409 L512 L514	L374-R376 HydrophobicContact CD2-CG 3.85Å; L374-V384 HydrophobicContact CD1-CG1 3.87Å; L374-V384 HydrophobicContact CD2-CG1 3.79Å; L374-V384 HydrophobicContact CG-CG1 3.5Å; L374-L386 HydrophobicContact CB-CD2 3.88Å; L374-L386 HydrophobicContact CD1-CD2 3.71Å; L374-L386 HydrophobicContact CG-CD2 3.82Å; L374-V408 CarbonylContact O-C 3.59Å; L374-V408 WeakPolarHBondContact O-CA 3.13Å; L374-E409 HydrophobicContact CB-CB 4.44Å; L374-E409 PolarHBondContact N-O 3.22Å; L374-E409 PolarHBondContact O-N 2.73Å; L374-L512 HydrophobicContact CB-CD1 3.93Å; L374-L514 HydrophobicContact CD1-CD2 3.22Å; L374-L514 HydrophobicContact CD2-CD2 4.48Å; L374-L514 HydrophobicContact CG-CD2 4.47Å
375	R	90.8	Very high	87.4	Confident	47 Å²	47	41 Å²	41	18%	0.177	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.8	174.6	-175.7	-173.5	74.9	104.5	1	110.4	L385 L401 A404 G405 A407 V408	R375-L385 HydrophobicContact CB-CB 4.41Å; R375-L385 PolarHBondContact N-O 3.14Å; R375-L385 PolarHBondContact O-N 2.81Å; R375-L401 WeakPolarHBondContact CD-O 3.42Å; R375-A404 PolarHBondContact NH1-O 2.89Å; R375-G405 PolarHBondContact NH1-O 2.88Å; R375-G405 VanDerWaalsContact NH1-O 3.08Å; R375-A407 WeakPolarHBondContact CA-O 3.48Å; R375-V408 HydrophobicContact CB-CG2 4.36Å; R375-V408 HydrophobicContact CG-CG2 4.05Å
376	R	86.5	Confident	87.7	Confident	34 Å²	34	40 Å²	40	13%	0.128	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138.3	172.8	-58.1	-172.9	-177.5	100.6	7.2	110.2	L374 V384 G406 A407 E409 P513	L374-R376 HydrophobicContact CD2-CG 3.85Å; R376-V384 HydrophobicContact CG-CG2 4.29Å; R376-G406 WeakPolarHBondContact O-CA 3.26Å; R376-A407 PolarHBondContact N-O 3.28Å; R376-E409 IonicContact CZ-OE1 2.76Å; R376-E409 VanDerWaalsContact CZ-OE1 3.23Å; R376-E409 IonicContact NH1-OE1 2.94Å; R376-E409 PolarHBondContact NH1-OE1 3.29Å; R376-E409 IonicContact NH2-OE1 3.44Å; R376-E409 PolarHBondContact NH2-OE1 3.48Å; R376-E409 IonicContact NH2-OE2 3.2Å; R376-E409 PolarHBondContact NH2-OE2 3.46Å; R376-P513 PolarHBondContact NH2-O 2.82Å
377	G	74.9	Confident	88.1	Confident	24 Å²	24	38.7 Å²	38.7	25%	0.247	21%	0.207	C	C	.	.			trans	-60.8	146.8	177.5	0	0	0	0	0	112.5	G379 G383	G377-G379 PolarHBondContact O-N 2.91Å; G377-G379 VanDerWaalsContact O-N 3.16Å; G377-G383 PolarHBondContact N-O 3.17Å; G377-G383 VanDerWaalsContact N-O 3.14Å
378	R	72.9	Confident	88.4	Confident	217 Å²	217	33.8 Å²	33.8	82%	0.819	19%	0.189	S	C	*	.	S	Bend	trans	-72	107.5	171.4	-175.3	-179.6	-176.4	-85.2	1	108.9	D380	R378-D380 VanDerWaalsContact C-N 3.32Å; R378-D380 PolarHBondContact O-N 2.81Å
379	G	74.2	Confident	88.6	Confident	83 Å²	83	32.2 Å²	32.2	86%	0.856	18%	0.182	S	C	*	.	S	Bend	trans	87.5	-9.9	177.4	0	0	0	0	0	115.4	G377	G377-G379 PolarHBondContact O-N 2.91Å; G377-G379 VanDerWaalsContact O-N 3.16Å
380	D	82.7	Confident	88.6	Confident	71 Å²	71	30.2 Å²	30.2	38%	0.38	17%	0.169	S	C	.	.			trans	-116.1	99.4	168.1	179	12.8	0	0	0	109.3	R378 H382 G383	R378-D380 VanDerWaalsContact C-N 3.32Å; R378-D380 PolarHBondContact O-N 2.81Å; D380-H382 VanDerWaalsContact C-N 3.28Å; D380-H382 PolarHBondContact OD1-N 2.74Å; D380-G383 PolarHBondContact OD1-N 3.04Å; D380-G383 WeakPolarHBondContact OD2-CA 3.5Å; D380-G383 PolarHBondContact OD2-N 2.94Å
381	P	82.1	Confident	88.4	Confident	44 Å²	44	32.4 Å²	32.4	29%	0.286	18%	0.184	S	C	.	.	S	Bend	trans	-75.2	-18.1	178.6	30.1	-33.6	0	0	0	113.1	L516 P517	P381-L516 WeakPolarHBondContact O-CD2 3.16Å; P381-P517 HydrophobicContact CB-CG 3.6Å; P381-P517 HydrophobicContact CG-CG 3.73Å
382	H	85.8	Confident	88	Confident	44 Å²	44	40.9 Å²	40.9	20%	0.204	22%	0.215	C	C	.	.	S	Bend	trans	-83.2	-30.2	-179.7	-69.1	-86.5	0	0	0	111.6	D380 R461 L462	D380-H382 VanDerWaalsContact C-N 3.28Å; D380-H382 PolarHBondContact OD1-N 2.74Å; H382-R461 HydrophobicContact CB-CG 4.46Å; H382-R461 CarbonylContact O-C 3.52Å; H382-R461 WeakPolarHBondContact O-CA 3.42Å; H382-L462 PolarHBondContact ND1-O 2.95Å; H382-L462 PolarHBondContact O-N 3.32Å
383	G	88.1	Confident	87.6	Confident	10 Å²	10	41.8 Å²	41.8	10%	0.103	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	115.1	173.5	0	0	0	0	0	112.7	G377 D380	G377-G383 PolarHBondContact N-O 3.17Å; G377-G383 VanDerWaalsContact N-O 3.14Å; D380-G383 PolarHBondContact OD1-N 3.04Å; D380-G383 WeakPolarHBondContact OD2-CA 3.5Å; D380-G383 PolarHBondContact OD2-N 2.94Å
384	V	90	Very high	87.4	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.2	178.4	177.4	0	0	0	0	110.7	L374 R376 L386 V460 L462	L374-V384 HydrophobicContact CD1-CG1 3.87Å; L374-V384 HydrophobicContact CD2-CG1 3.79Å; L374-V384 HydrophobicContact CG-CG1 3.5Å; R376-V384 HydrophobicContact CG-CG2 4.29Å; V384-L386 HydrophobicContact CG1-CD2 4.38Å; V384-L386 HydrophobicContact CG1-CG 4.47Å; V384-V460 PolarHBondContact N-O 3.18Å; V384-V460 PolarHBondContact O-N 2.96Å; V384-L462 HydrophobicContact CB-CD1 4.22Å; V384-L462 HydrophobicContact CB-CG 4.39Å; V384-L462 HydrophobicContact CG2-CD1 3.4Å; V384-L462 HydrophobicContact CG2-CG 3.92Å
385	L	90.9	Very high	87.4	Confident	22 Å²	22	49 Å²	49	12%	0.115	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	119.9	172.2	-177.3	71.3	0	0	0	109.1	R375 L401 E457	R375-L385 HydrophobicContact CB-CB 4.41Å; R375-L385 PolarHBondContact N-O 3.14Å; R375-L385 PolarHBondContact O-N 2.81Å; L385-L401 HydrophobicContact CD2-CD2 3.92Å; L385-E457 HydrophobicContact CD1-CB 4.12Å
386	L	92.5	Very high	87.3	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.3	170.2	-66.3	172.6	0	0	0	109.2	V373 L374 V384 L424 E457 L458 V460 F482	V373-L386 CarbonylContact O-C 3.57Å; V373-L386 WeakPolarHBondContact O-CA 3.42Å; L374-L386 HydrophobicContact CB-CD2 3.88Å; L374-L386 HydrophobicContact CD1-CD2 3.71Å; L374-L386 HydrophobicContact CG-CD2 3.82Å; V384-L386 HydrophobicContact CG1-CD2 4.38Å; V384-L386 HydrophobicContact CG1-CG 4.47Å; L386-L424 HydrophobicContact CD1-CD1 4.13Å; L386-L424 HydrophobicContact CD1-CD2 3.27Å; L386-L424 HydrophobicContact CD1-CG 4.33Å; L386-E457 CarbonylContact O-C 3.43Å; L386-E457 VanDerWaalsContact O-CA 3.32Å; L386-E457 WeakPolarHBondContact O-CA 3.47Å; L386-L458 HydrophobicContact CB-CB 4.49Å; L386-L458 PolarHBondContact N-O 3.4Å; L386-L458 PolarHBondContact O-N 2.86Å; L386-V460 HydrophobicContact CD1-CG2 4.05Å; L386-F482 HydrophobicContact CD1-CE1 4.1Å; L386-F482 HydrophobicContact CD1-CZ 4.08Å; L386-F482 HydrophobicContact CD2-CZ 3.89Å
387	A	93.5	Very high	87.5	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.008	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.2	178	0	0	0	0	0	111.3	V372 V373 L389 N456 E457	V372-A387 CarbonylContact C-O 3.58Å; V372-A387 WeakPolarHBondContact CA-O 3.45Å; V373-A387 PolarHBondContact N-O 2.76Å; V373-A387 PolarHBondContact O-N 3.09Å; A387-L389 HydrophobicContact CB-CD2 3.95Å; A387-L389 HydrophobicContact CB-CG 4.2Å; A387-N456 CarbonylContact C-O 3.53Å; A387-N456 WeakPolarHBondContact CA-O 3.39Å; A387-E457 HydrophobicContact CB-CG 3.99Å
388	A	95	Very high	88.3	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.008	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	106.5	170.4	0	0	0	0	0	108.9	V370 L422 L448 F450 N456	V370-A388 HydrophobicContact CG1-CB 3.89Å; A388-L422 HydrophobicContact CB-CD1 4.39Å; A388-L448 HydrophobicContact CB-CD2 3.62Å; A388-L448 HydrophobicContact CB-CG 4.48Å; A388-F450 HydrophobicContact CB-CD2 4.25Å; A388-N456 HydrophobicContact CB-CB 4Å; A388-N456 PolarHBondContact N-O 2.86Å; A388-N456 PolarHBondContact O-ND2 2.8Å
389	L	94.1	Very high	89.2	Confident	7 Å²	7	47.6 Å²	47.6	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.6	-171.3	-56.7	-177.6	0	0	0	110.8	V370 T371 V373 A387 L394 E397 L401	V370-L389 CarbonylContact C-O 3.54Å; V370-L389 VanDerWaalsContact CA-O 3.32Å; V370-L389 WeakPolarHBondContact CA-O 3.46Å; T371-L389 PolarHBondContact N-O 3.13Å; T371-L389 PolarHBondContact O-N 3.19Å; V373-L389 HydrophobicContact CB-CD1 4.21Å; V373-L389 HydrophobicContact CG2-CD1 3.6Å; V373-L389 HydrophobicContact CG2-CG 4.11Å; A387-L389 HydrophobicContact CB-CD2 3.95Å; A387-L389 HydrophobicContact CB-CG 4.2Å; L389-L394 HydrophobicContact CB-CD1 4.17Å; L389-L394 HydrophobicContact CD1-CD1 4.26Å; L389-E397 HydrophobicContact CD1-CB 3.8Å; L389-E397 HydrophobicContact CD2-CB 4.1Å; L389-E397 HydrophobicContact CD2-CG 4.38Å; L389-L401 HydrophobicContact CD1-CD1 4.08Å
390	P	92.7	Very high	90	Very high	13 Å²	13	46.4 Å²	46.4	8%	0.084	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	141.9	170.6	-19.7	30.7	0	0	0	111.3	P369 R392 D393 L394 F450	P369-P390 CarbonylContact O-C 3.55Å; P369-P390 WeakPolarHBondContact O-CA 3.46Å; P390-R392 PolarHBondContact O-N 3.43Å; P390-R392 VanDerWaalsContact O-N 3.11Å; P390-D393 PolarHBondContact O-N 2.95Å; P390-L394 PolarHBondContact O-N 3.44Å; P390-L394 VanDerWaalsContact O-N 3.17Å; P390-F450 HydrophobicContact CG-CE2 3.99Å; P390-F450 HydrophobicContact CG-CZ 4.11Å
391	S	90.1	Very high	90.2	Very high	46 Å²	46	43.3 Å²	43.3	32%	0.322	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-53.7	-35.4	-179.1	-166.6	0	0	0	0	112.3	P369 D393 L394 E413	P369-S391 PolarHBondContact O-N 3.47Å; S391-D393 VanDerWaalsContact C-N 3.29Å; S391-D393 PolarHBondContact O-N 3.4Å; S391-L394 VanDerWaalsContact O-CB 3.31Å; S391-L394 WeakPolarHBondContact O-CB 3.45Å; S391-L394 PolarHBondContact O-N 2.71Å; S391-E413 PolarHBondContact OG-OE1 3.34Å; S391-E413 VanDerWaalsContact OG-OE1 3.05Å
392	R	86.9	Confident	90.6	Very high	187 Å²	187	47.8 Å²	47.8	71%	0.706	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-60	-33.3	175.9	-174	177.1	180	-172	-3.1	114.4	H110 P390	H110-R392 VanDerWaalsContact CB-NH1 3.34Å; H110-R392 PolarHBondContact CE1-NE 2.86Å; H110-R392 PolarHBondContact ND1-NE 3.17Å; H110-R392 PolarHBondContact ND1-NH1 3.31Å; H110-R392 VanDerWaalsContact ND1-NH1 3.17Å; H110-R392 PolarHBondContact ND1-NH2 2.8Å; P390-R392 PolarHBondContact O-N 3.43Å; P390-R392 VanDerWaalsContact O-N 3.11Å
393	D	88.6	Confident	90.7	Very high	19 Å²	19	50 Å²	50	10%	0.102	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-102.7	-0.5	-176.9	-70.1	-0.3	0	0	0	111.9	R109 H110 P390 S391 D395 E397	R109-D393 IonicContact CZ-OD2 3.84Å; R109-D393 IonicContact NH1-OD2 3.12Å; R109-D393 PolarHBondContact NH1-OD2 2.95Å; H110-D393 IonicContact CE1-OD1 3.48Å; H110-D393 PolarHBondContact CE1-OD1 3.4Å; H110-D393 IonicContact NE2-OD1 2.75Å; H110-D393 PolarHBondContact NE2-OD1 3.1Å; H110-D393 IonicContact NE2-OD2 3.64Å; H110-D393 PolarHBondContact NE2-OD2 2.84Å; P390-D393 PolarHBondContact O-N 2.95Å; S391-D393 VanDerWaalsContact C-N 3.29Å; S391-D393 PolarHBondContact O-N 3.4Å; D393-D395 PolarHBondContact O-N 2.87Å; D393-E397 HydrophobicContact CB-CG 4.04Å; D393-E397 WeakPolarHBondContact O-CB 3.29Å; D393-E397 VanDerWaalsContact O-CG 3.31Å; D393-E397 WeakPolarHBondContact O-CG 3.42Å; D393-E397 PolarHBondContact O-N 3.44Å
394	L	91	Very high	90.5	Very high	29 Å²	29	52.4 Å²	52.4	15%	0.152	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-53.5	-164.8	-177.8	62.7	0	0	0	112.7	T371 L389 P390 S391 W396 E397 L398	T371-L394 HydrophobicContact CG2-CD1 4.24Å; L389-L394 HydrophobicContact CB-CD1 4.17Å; L389-L394 HydrophobicContact CD1-CD1 4.26Å; P390-L394 PolarHBondContact O-N 3.44Å; P390-L394 VanDerWaalsContact O-N 3.17Å; S391-L394 VanDerWaalsContact O-CB 3.31Å; S391-L394 WeakPolarHBondContact O-CB 3.45Å; S391-L394 PolarHBondContact O-N 2.71Å; L394-W396 PolarHBondContact O-N 3.38Å; L394-E397 PolarHBondContact O-N 3.48Å; L394-L398 HydrophobicContact CD1-CD1 3.72Å; L394-L398 HydrophobicContact CD1-CG 3.87Å; L394-L398 HydrophobicContact CG-CD1 3.78Å; L394-L398 HydrophobicContact CG-CG 4.28Å; L394-L398 VanDerWaalsContact O-CB 3.25Å; L394-L398 WeakPolarHBondContact O-CB 3.45Å; L394-L398 VanDerWaalsContact O-CG 3.24Å; L394-L398 WeakPolarHBondContact O-CG 3.24Å; L394-L398 PolarHBondContact O-N 2.99Å
395	D	91.1	Very high	89.9	Confident	124 Å²	124	53.2 Å²	53.2	66%	0.663	27%	0.271	S	S	*	.	H	α-helix	trans	-61.5	-46.9	-175.1	-69.4	-34.8	0	0	0	112.1	D393 N399	D393-D395 PolarHBondContact O-N 2.87Å; D395-N399 WeakPolarHBondContact O-CB 3.24Å; D395-N399 PolarHBondContact O-N 3.26Å; D395-N399 PolarHBondContact O-ND2 3.06Å; D395-N399 VanDerWaalsContact O-ND2 3.15Å
396	W	89.3	Confident	89.3	Confident	187 Å²	187	54 Å²	54	71%	0.708	29%	0.285	S	S	*	.	H	α-helix	trans	-63.5	-48.1	178.6	167.8	-106.1	0	0	0	111.6	L394 N399 R400	L394-W396 PolarHBondContact O-N 3.38Å; W396-N399 PolarHBondContact O-N 2.97Å; W396-R400 PolarHBondContact O-N 3.11Å
397	E	90.6	Very high	88.9	Confident	5 Å²	5	56.4 Å²	56.4	2%	0.023	31%	0.305	C	S	.	.	H	α-helix	trans	-70	-34.9	-177.9	-68.4	-72.6	-156.4	0	0	111.9	R109 L389 D393 L394 R400 L401	R109-E397 IonicContact CZ-OE1 2.63Å; R109-E397 IonicContact NH1-OE1 3.09Å; R109-E397 PolarHBondContact NH1-OE1 3.17Å; R109-E397 IonicContact NH2-OE1 2.69Å; L389-E397 HydrophobicContact CD1-CB 3.8Å; L389-E397 HydrophobicContact CD2-CB 4.1Å; L389-E397 HydrophobicContact CD2-CG 4.38Å; D393-E397 HydrophobicContact CB-CG 4.04Å; D393-E397 WeakPolarHBondContact O-CB 3.29Å; D393-E397 VanDerWaalsContact O-CG 3.31Å; D393-E397 WeakPolarHBondContact O-CG 3.42Å; D393-E397 PolarHBondContact O-N 3.44Å; L394-E397 PolarHBondContact O-N 3.48Å; E397-R400 VanDerWaalsContact CD-NH1 3.33Å; E397-R400 WeakPolarHBondContact O-CB 3.25Å; E397-R400 PolarHBondContact O-N 3.29Å; E397-R400 IonicContact OE1-NH1 3.71Å; E397-R400 PolarHBondContact OE1-NH1 2.83Å; E397-R400 VanDerWaalsContact OE2-CD 3.29Å; E397-R400 WeakPolarHBondContact OE2-CD 3.31Å; E397-R400 IonicContact OE2-CZ 3.32Å; E397-R400 IonicContact OE2-NE 2.72Å; E397-R400 PolarHBondContact OE2-NE 2.84Å; E397-R400 IonicContact OE2-NH1 3.7Å; E397-R400 PolarHBondContact OE2-NH1 2.8Å; E397-R400 IonicContact OE2-NH2 3.75Å; E397-L401 WeakPolarHBondContact O-CB 3.31Å; E397-L401 VanDerWaalsContact O-CG 3.24Å; E397-L401 WeakPolarHBondContact O-CG 3.18Å; E397-L401 PolarHBondContact O-N 2.82Å
398	L	92.1	Very high	88.8	Confident	13 Å²	13	58.1 Å²	58.1	7%	0.068	32%	0.316	C	S	.	.	H	α-helix	trans	-62.7	-44.6	171.7	-78.4	177.9	0	0	0	111.5	V373 L394 R400 L401 R402 V408 T410	V373-L398 HydrophobicContact CG1-CD2 3.85Å; V373-L398 HydrophobicContact CG2-CD2 3.86Å; L394-L398 HydrophobicContact CD1-CD1 3.72Å; L394-L398 HydrophobicContact CD1-CG 3.87Å; L394-L398 HydrophobicContact CG-CD1 3.78Å; L394-L398 HydrophobicContact CG-CG 4.28Å; L394-L398 VanDerWaalsContact O-CB 3.25Å; L394-L398 WeakPolarHBondContact O-CB 3.45Å; L394-L398 VanDerWaalsContact O-CG 3.24Å; L394-L398 WeakPolarHBondContact O-CG 3.24Å; L394-L398 PolarHBondContact O-N 2.99Å; L398-R400 VanDerWaalsContact C-N 3.32Å; L398-R400 PolarHBondContact O-N 3.05Å; L398-L401 PolarHBondContact O-N 2.78Å; L398-R402 WeakPolarHBondContact O-CB 3.42Å; L398-R402 VanDerWaalsContact O-CG 3.24Å; L398-R402 WeakPolarHBondContact O-CG 3.34Å; L398-R402 PolarHBondContact O-N 2.86Å; L398-V408 HydrophobicContact CD2-CG1 3.97Å; L398-T410 HydrophobicContact CD1-CG2 4.43Å; L398-T410 HydrophobicContact CD2-CG2 3.87Å
399	N	91.3	Very high	88.6	Confident	88 Å²	88	60.6 Å²	60.6	47%	0.471	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-40.9	176.6	-71.8	-24.8	0	0	0	111.3	D395 W396 R402 A403	D395-N399 WeakPolarHBondContact O-CB 3.24Å; D395-N399 PolarHBondContact O-N 3.26Å; D395-N399 PolarHBondContact O-ND2 3.06Å; D395-N399 VanDerWaalsContact O-ND2 3.15Å; W396-N399 PolarHBondContact O-N 2.97Å; N399-R402 PolarHBondContact O-N 3.48Å; N399-R402 PolarHBondContact OD1-NH1 2.91Å; N399-A403 WeakPolarHBondContact O-CB 3.32Å; N399-A403 PolarHBondContact O-N 2.92Å
400	R	90.8	Very high	88.6	Confident	57 Å²	57	63.7 Å²	63.7	22%	0.215	35%	0.346	C	S	.	.	H	α-helix	trans	-60	-45	172.9	-170.1	-161.6	77	-178.9	5.9	112.1	W396 E397 L398 A403 A404 R455 E457	W396-R400 PolarHBondContact O-N 3.11Å; E397-R400 VanDerWaalsContact CD-NH1 3.33Å; E397-R400 WeakPolarHBondContact O-CB 3.25Å; E397-R400 PolarHBondContact O-N 3.29Å; E397-R400 IonicContact OE1-NH1 3.71Å; E397-R400 PolarHBondContact OE1-NH1 2.83Å; E397-R400 VanDerWaalsContact OE2-CD 3.29Å; E397-R400 WeakPolarHBondContact OE2-CD 3.31Å; E397-R400 IonicContact OE2-CZ 3.32Å; E397-R400 IonicContact OE2-NE 2.72Å; E397-R400 PolarHBondContact OE2-NE 2.84Å; E397-R400 IonicContact OE2-NH1 3.7Å; E397-R400 PolarHBondContact OE2-NH1 2.8Å; E397-R400 IonicContact OE2-NH2 3.75Å; L398-R400 VanDerWaalsContact C-N 3.32Å; L398-R400 PolarHBondContact O-N 3.05Å; R400-A403 PolarHBondContact O-N 2.85Å; R400-A404 PolarHBondContact O-N 2.9Å; R400-A404 VanDerWaalsContact O-N 3.13Å; R400-R455 VanDerWaalsContact NH1-NH2 3.12Å; R400-E457 IonicContact CZ-OE1 2.77Å; R400-E457 IonicContact NH1-OE1 3.28Å; R400-E457 IonicContact NH2-OE1 3.75Å; R400-E457 PolarHBondContact NH2-OE1 2.84Å
401	L	88.8	Confident	88.7	Confident	6 Å²	6	63.8 Å²	63.8	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-67.5	-38.3	179.1	-72.7	174.5	0	0	0	112.2	V373 R375 L385 L389 E397 L398 A404	V373-L401 HydrophobicContact CG1-CD1 3.96Å; R375-L401 WeakPolarHBondContact CD-O 3.42Å; L385-L401 HydrophobicContact CD2-CD2 3.92Å; L389-L401 HydrophobicContact CD1-CD1 4.08Å; E397-L401 WeakPolarHBondContact O-CB 3.31Å; E397-L401 VanDerWaalsContact O-CG 3.24Å; E397-L401 WeakPolarHBondContact O-CG 3.18Å; E397-L401 PolarHBondContact O-N 2.82Å; L398-L401 PolarHBondContact O-N 2.78Å; L401-A404 PolarHBondContact O-N 2.81Å
402	R	89.8	Confident	88.7	Confident	139 Å²	139	65.7 Å²	65.7	53%	0.525	36%	0.361	S	S	.	.	H	α-helix	trans	-66.3	-40.8	174	-71.4	169.4	-175.3	163.2	-0.3	111.7	L398 N399 A404 G405 V408	L398-R402 WeakPolarHBondContact O-CB 3.42Å; L398-R402 VanDerWaalsContact O-CG 3.24Å; L398-R402 WeakPolarHBondContact O-CG 3.34Å; L398-R402 PolarHBondContact O-N 2.86Å; N399-R402 PolarHBondContact O-N 3.48Å; N399-R402 PolarHBondContact OD1-NH1 2.91Å; R402-A404 VanDerWaalsContact C-N 3.26Å; R402-A404 PolarHBondContact O-N 2.77Å; R402-G405 WeakPolarHBondContact O-CA 3.43Å; R402-G405 PolarHBondContact O-N 3.46Å; R402-V408 HydrophobicContact CG-CG2 4.1Å
403	A	87.9	Confident	89	Confident	90 Å²	90	62.3 Å²	62.3	74%	0.744	35%	0.353	S	S	*	.	H	α-helix	trans	-63.7	-31.5	176.4	0	0	0	0	0	112.6	N399 R400 G405	N399-A403 WeakPolarHBondContact O-CB 3.32Å; N399-A403 PolarHBondContact O-N 2.92Å; R400-A403 PolarHBondContact O-N 2.85Å; A403-G405 PolarHBondContact O-N 3.36Å
404	A	83.2	Confident	89.2	Confident	61 Å²	61	62 Å²	62	50%	0.504	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-3.3	172.3	0	0	0	0	0	113.7	R375 R400 L401 R402	R375-A404 PolarHBondContact NH1-O 2.89Å; R400-A404 PolarHBondContact O-N 2.9Å; R400-A404 VanDerWaalsContact O-N 3.13Å; L401-A404 PolarHBondContact O-N 2.81Å; R402-A404 VanDerWaalsContact C-N 3.26Å; R402-A404 PolarHBondContact O-N 2.77Å
405	G	76.8	Confident	89.3	Confident	18 Å²	18	62.4 Å²	62.4	19%	0.186	36%	0.356	C	S	.	.			trans	78.4	160.4	179.7	0	0	0	0	0	114	R375 R402 A403	R375-G405 PolarHBondContact NH1-O 2.88Å; R375-G405 VanDerWaalsContact NH1-O 3.08Å; R402-G405 WeakPolarHBondContact O-CA 3.43Å; R402-G405 PolarHBondContact O-N 3.46Å; A403-G405 PolarHBondContact O-N 3.36Å
406	G	78.6	Confident	89.4	Confident	39 Å²	39	56.5 Å²	56.5	40%	0.402	33%	0.325	S	S	.	.	S	Bend	trans	101.2	166.3	179.8	0	0	0	0	0	114	R376	R376-G406 WeakPolarHBondContact O-CA 3.26Å
407	A	85	Confident	89.5	Confident	55 Å²	55	49 Å²	49	46%	0.455	30%	0.3	S	S	.	.			trans	-75.9	138.1	175.4	0	0	0	0	0	110.3	R375 R376	R375-A407 WeakPolarHBondContact CA-O 3.48Å; R376-A407 PolarHBondContact N-O 3.28Å
408	V	90.5	Very high	89.6	Confident	37 Å²	37	49 Å²	49	22%	0.224	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.2	179.7	-179	0	0	0	0	109.1	V373 L374 R375 L398 R402 T410	V373-V408 HydrophobicContact CG1-CG1 3.42Å; V373-V408 VanDerWaalsContact CG1-CG1 3.42Å; L374-V408 CarbonylContact O-C 3.59Å; L374-V408 WeakPolarHBondContact O-CA 3.13Å; R375-V408 HydrophobicContact CB-CG2 4.36Å; R375-V408 HydrophobicContact CG-CG2 4.05Å; L398-V408 HydrophobicContact CD2-CG1 3.97Å; R402-V408 HydrophobicContact CG-CG2 4.1Å; V408-T410 HydrophobicContact CG1-CG2 4.47Å
409	E	90.8	Very high	89.6	Confident	53 Å²	53	48.4 Å²	48.4	25%	0.248	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.3	173.9	-69.2	175.6	-161.9	0	0	109.5	V373 L374 R376	V373-E409 CarbonylContact C-O 3.59Å; V373-E409 WeakPolarHBondContact CA-O 3.38Å; L374-E409 HydrophobicContact CB-CB 4.44Å; L374-E409 PolarHBondContact N-O 3.22Å; L374-E409 PolarHBondContact O-N 2.73Å; R376-E409 IonicContact CZ-OE1 2.76Å; R376-E409 VanDerWaalsContact CZ-OE1 3.23Å; R376-E409 IonicContact NH1-OE1 2.94Å; R376-E409 PolarHBondContact NH1-OE1 3.29Å; R376-E409 IonicContact NH2-OE1 3.44Å; R376-E409 PolarHBondContact NH2-OE1 3.48Å; R376-E409 IonicContact NH2-OE2 3.2Å; R376-E409 PolarHBondContact NH2-OE2 3.46Å
410	T	93.8	Very high	89.7	Confident	72 Å²	72	44.4 Å²	44.4	44%	0.442	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.5	-174.4	57.8	0	0	0	0	110.6	V373 L398 V408	V373-T410 HydrophobicContact CG1-CG2 4.37Å; V373-T410 HydrophobicContact CG2-CG2 4.04Å; L398-T410 HydrophobicContact CD1-CG2 4.43Å; L398-T410 HydrophobicContact CD2-CG2 3.87Å; V408-T410 HydrophobicContact CG1-CG2 4.47Å
411	S	94.8	Very high	89.8	Confident	15 Å²	15	42.1 Å²	42.1	11%	0.105	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	173.4	173.4	71.7	0	0	0	0	111.5	T371 V372	T371-S411 WeakPolarHBondContact CG2-O 3.48Å; V372-S411 PolarHBondContact N-OG 2.9Å; V372-S411 PolarHBondContact O-N 2.91Å; V372-S411 PolarHBondContact O-OG 3.17Å
412	S	91.9	Very high	89.9	Confident	86 Å²	86	41.9 Å²	41.9	60%	0.601	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	159.5	156.6	55.7	0	0	0	0	110.5
413	E	92	Very high	90	Very high	115 Å²	115	35.5 Å²	35.5	54%	0.537	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	133.7	175	-165.3	175.6	-90.7	0	0	110.6	P369 S391	P369-E413 HydrophobicContact CB-CG 3.78Å; P369-E413 WeakPolarHBondContact CB-OE2 3.34Å; S391-E413 PolarHBondContact OG-OE1 3.34Å; S391-E413 VanDerWaalsContact OG-OE1 3.05Å
414	I	93.6	Very high	90.1	Very high	12 Å²	12	31.3 Å²	31.3	6%	0.062	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	156.4	177.7	64.2	165.9	0	0	0	109.1	V370 V372 L416 L422 V509 C510	V370-I414 HydrophobicContact CB-CG1 4.28Å; V370-I414 PolarHBondContact N-O 3.07Å; V370-I414 VanDerWaalsContact O-CG1 3.26Å; V370-I414 WeakPolarHBondContact O-CG1 3.35Å; V370-I414 PolarHBondContact O-N 3.42Å; V372-I414 HydrophobicContact CG2-CD1 3.86Å; I414-L416 HydrophobicContact CD1-CD1 4.12Å; I414-L416 HydrophobicContact CD1-CD2 4.23Å; I414-L416 HydrophobicContact CD1-CG 4.14Å; I414-L416 HydrophobicContact CG1-CG 4.43Å; I414-L422 HydrophobicContact CD1-CD1 4.3Å; I414-L422 HydrophobicContact CD1-CD2 4.17Å; I414-V509 HydrophobicContact CB-CG1 3.92Å; I414-V509 HydrophobicContact CD1-CG1 4.28Å; I414-V509 HydrophobicContact CG2-CG1 3.73Å; I414-C510 HydrophobicContact CG2-CB 4.2Å
415	S	92.1	Very high	90.4	Very high	38 Å²	38	33.1 Å²	33.1	27%	0.266	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122	179.7	-172.4	0	0	0	0	111.1	R367 H368 R484	R367-S415 WeakPolarHBondContact CB-OG 3.46Å; H368-S415 WeakPolarHBondContact O-CA 3.38Å; S415-R484 VanDerWaalsContact O-CZ 3.3Å; S415-R484 PolarHBondContact O-NH1 2.8Å
416	L	93.2	Very high	91	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	149.1	178.2	-61.8	179.3	0	0	0	111.4	H368 V370 I414 D420 L422 F450 R484	H368-L416 PolarHBondContact N-O 2.74Å; H368-L416 PolarHBondContact O-N 3.29Å; V370-L416 HydrophobicContact CB-CD1 4.19Å; V370-L416 HydrophobicContact CB-CG 4.44Å; V370-L416 HydrophobicContact CG1-CD1 4.05Å; V370-L416 HydrophobicContact CG2-CB 4.18Å; V370-L416 HydrophobicContact CG2-CD1 4.23Å; V370-L416 HydrophobicContact CG2-CG 4.38Å; I414-L416 HydrophobicContact CD1-CD1 4.12Å; I414-L416 HydrophobicContact CD1-CD2 4.23Å; I414-L416 HydrophobicContact CD1-CG 4.14Å; I414-L416 HydrophobicContact CG1-CG 4.43Å; L416-D420 HydrophobicContact CD2-CB 4.4Å; L416-L422 HydrophobicContact CD1-CD1 4.05Å; L416-L422 HydrophobicContact CD1-CD2 4.34Å; L416-L422 HydrophobicContact CD1-CG 4.17Å; L416-L422 HydrophobicContact CD2-CD2 4.04Å; L416-F450 HydrophobicContact CB-CB 4.46Å; L416-F450 HydrophobicContact CB-CD1 3.8Å; L416-F450 HydrophobicContact CB-CE1 4.22Å; L416-F450 HydrophobicContact CB-CG 4.07Å; L416-F450 HydrophobicContact CD1-CB 3.93Å; L416-F450 HydrophobicContact CD1-CD2 4.16Å; L416-F450 HydrophobicContact CD1-CG 3.93Å; L416-R484 HydrophobicContact CD2-CG 4.07Å
417	C	92.8	Very high	91.5	Very high	30 Å²	30	35.1 Å²	35.1	20%	0.203	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	161.2	171.1	-62.9	0	0	0	0	110.5	G419 D420 F450	C417-G419 PolarHBondContact O-N 2.53Å; C417-D420 PolarHBondContact N-OD2 3.29Å; C417-D420 WeakPolarHBondContact O-CB 3.32Å; C417-D420 PolarHBondContact O-N 3.4Å; C417-D420 VanDerWaalsContact O-N 3.09Å; C417-F450 WeakPolarHBondContact O-CD1 3.47Å
418	E	93	Very high	91.7	Very high	5 Å²	5	35.2 Å²	35.2	2%	0.023	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	126.9	174.7	-171.9	76.2	-170	0	0	111.3	A75 E79 L81 D420 H451 C452	A75-E418 HydrophobicContact CB-CG 3.85Å; E79-E418 WeakPolarHBondContact O-CB 3.45Å; E79-E418 VanDerWaalsContact O-CG 3.27Å; E79-E418 WeakPolarHBondContact O-CG 3.49Å; L81-E418 WeakPolarHBondContact CB-OE1 3.01Å; L81-E418 PolarHBondContact N-OE1 3.28Å; E418-D420 VanDerWaalsContact C-N 3.32Å; E418-H451 WeakPolarHBondContact OE1-CA 3.18Å; E418-H451 IonicContact OE1-CE1 2.68Å; E418-H451 IonicContact OE1-CG 2.9Å; E418-H451 IonicContact OE1-ND1 3.4Å; E418-H451 PolarHBondContact OE1-ND1 2.8Å; E418-H451 WeakPolarHBondContact OE2-CA 3.33Å; E418-C452 PolarHBondContact OE2-N 3.2Å; E418-C452 PolarHBondContact OE2-SG 3.08Å
419	G	91.8	Very high	91.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-2.1	179.2	0	0	0	0	0	114.8	C72 C417 F450	C72-G419 WeakPolarHBondContact CB-O 3.31Å; C417-G419 PolarHBondContact O-N 2.53Å; G419-F450 PolarHBondContact N-O 3.39Å
420	D	93.1	Very high	91.6	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	19%	0.19	C	C	.	.			trans	-62.3	147	170.4	-75.3	-8.2	0	0	0	110.7	L416 C417 E418 F450 R484 T486 R487	L416-D420 HydrophobicContact CD2-CB 4.4Å; C417-D420 PolarHBondContact N-OD2 3.29Å; C417-D420 WeakPolarHBondContact O-CB 3.32Å; C417-D420 PolarHBondContact O-N 3.4Å; C417-D420 VanDerWaalsContact O-N 3.09Å; E418-D420 VanDerWaalsContact C-N 3.32Å; D420-F450 PolarHBondContact O-N 2.89Å; D420-R484 IonicContact OD2-CZ 3.43Å; D420-R484 IonicContact OD2-NE 3Å; D420-R484 PolarHBondContact OD2-NE 2.81Å; D420-R484 IonicContact OD2-NH2 3.28Å; D420-R484 PolarHBondContact OD2-NH2 3.07Å; D420-T486 WeakPolarHBondContact OD1-CA 3.48Å; D420-R487 PolarHBondContact OD1-N 3.4Å
421	Q	91.9	Very high	91.3	Very high	9 Å²	9	29.4 Å²	29.4	4%	0.042	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	139.4	178	-66.2	-171.4	-26.9	0	0	111.1	C72 L448 T449 R484 V485 L490	C72-Q421 HydrophobicContact CB-CG 4.34Å; C72-Q421 PolarHBondContact SG-NE2 2.98Å; Q421-L448 CarbonylContact C-O 3.52Å; Q421-L448 WeakPolarHBondContact CA-O 3.11Å; Q421-T449 HydrophobicContact CG-CG2 4.25Å; Q421-T449 PolarHBondContact NE2-OG1 3.39Å; Q421-T449 VanDerWaalsContact NE2-OG1 3.15Å; Q421-R484 WeakPolarHBondContact O-CA 3.24Å; Q421-V485 HydrophobicContact CB-CB 4.41Å; Q421-V485 PolarHBondContact N-O 3.32Å; Q421-V485 PolarHBondContact O-N 3.13Å; Q421-L490 HydrophobicContact CG-CD1 4.08Å
422	L	92.4	Very high	90.9	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	112.5	165.3	-65.9	178.1	0	0	0	108.5	V372 A388 I414 L416 R447 L448 F482 Y483 R484	V372-L422 HydrophobicContact CG2-CD1 3.77Å; A388-L422 HydrophobicContact CB-CD1 4.39Å; I414-L422 HydrophobicContact CD1-CD1 4.3Å; I414-L422 HydrophobicContact CD1-CD2 4.17Å; L416-L422 HydrophobicContact CD1-CD1 4.05Å; L416-L422 HydrophobicContact CD1-CD2 4.34Å; L416-L422 HydrophobicContact CD1-CG 4.17Å; L416-L422 HydrophobicContact CD2-CD2 4.04Å; L422-R447 WeakPolarHBondContact O-CA 3.42Å; L422-L448 HydrophobicContact CB-CB 4.36Å; L422-L448 PolarHBondContact N-O 3.37Å; L422-L448 PolarHBondContact O-N 3.48Å; L422-F482 HydrophobicContact CB-CD1 4.35Å; L422-Y483 CarbonylContact C-O 3.55Å; L422-Y483 WeakPolarHBondContact CA-O 3.46Å; L422-R484 HydrophobicContact CD2-CB 4.46Å
423	L	90.5	Very high	90.1	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.026	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	124	172.6	-163.8	75.9	0	0	0	109.4	H445 R447 F482 Y483 L505	L423-H445 HydrophobicContact CD1-CB 3.17Å; L423-H445 HydrophobicContact CD2-CB 4.34Å; L423-H445 HydrophobicContact CG-CB 3.84Å; L423-R447 HydrophobicContact CD1-CG 3.53Å; L423-F482 WeakPolarHBondContact O-CA 3.27Å; L423-Y483 PolarHBondContact N-O 2.82Å; L423-Y483 PolarHBondContact O-N 3.17Å; L423-L505 HydrophobicContact CD2-CD1 3.4Å; L423-L505 VanDerWaalsContact CD2-CD1 3.4Å; L423-L505 HydrophobicContact CD2-CD2 4.44Å
424	L	90.1	Very high	88.5	Confident	2 Å²	2	22.7 Å²	22.7	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	126	-179.5	179.5	61.7	0	0	0	110.7	L386 F426 E446 L458 V460 A480 F482	L386-L424 HydrophobicContact CD1-CD1 4.13Å; L386-L424 HydrophobicContact CD1-CD2 3.27Å; L386-L424 HydrophobicContact CD1-CG 4.33Å; L424-F426 HydrophobicContact CD1-CE1 4.34Å; L424-F426 HydrophobicContact CD1-CZ 4.17Å; L424-F426 HydrophobicContact CD2-CE1 4.39Å; L424-F426 HydrophobicContact CD2-CE2 3.93Å; L424-F426 HydrophobicContact CD2-CZ 3.53Å; L424-F426 HydrophobicContact CG-CE1 4.43Å; L424-F426 HydrophobicContact CG-CE2 3.91Å; L424-F426 HydrophobicContact CG-CZ 3.78Å; L424-E446 HydrophobicContact CB-CB 4.12Å; L424-E446 WeakPolarHBondContact CB-O 3.43Å; L424-E446 HydrophobicContact CD2-CB 4.17Å; L424-E446 WeakPolarHBondContact CD2-OE2 3.46Å; L424-E446 PolarHBondContact N-O 3.18Å; L424-L458 HydrophobicContact CD2-CD2 4.47Å; L424-V460 HydrophobicContact CD2-CG2 3.91Å; L424-A480 HydrophobicContact CD1-CB 3.85Å; L424-F482 HydrophobicContact CD1-CD1 4.14Å; L424-F482 HydrophobicContact CD1-CE1 3.7Å; L424-F482 HydrophobicContact CD1-CE2 4.32Å; L424-F482 HydrophobicContact CD1-CZ 3.78Å
425	R	89.4	Confident	86.6	Confident	98 Å²	98	25 Å²	25	37%	0.37	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.9	169.5	-59.2	-178.3	70.8	168.8	5.1	109.6	L481 Y483	R425-L481 PolarHBondContact N-O 2.85Å; R425-L481 PolarHBondContact O-N 3.05Å; R425-Y483 HydrophobicContact CB-CE2 4Å; R425-Y483 HydrophobicContact CG-CD2 4.14Å; R425-Y483 HydrophobicContact CG-CE2 3.94Å
426	F	89.8	Confident	84.4	Confident	36 Å²	36	27.5 Å²	27.5	16%	0.158	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	147.2	177.3	-60.7	-82.9	0	0	0	111	L424 I430 F435 V460 L462 A480 L514	L424-F426 HydrophobicContact CD1-CE1 4.34Å; L424-F426 HydrophobicContact CD1-CZ 4.17Å; L424-F426 HydrophobicContact CD2-CE1 4.39Å; L424-F426 HydrophobicContact CD2-CE2 3.93Å; L424-F426 HydrophobicContact CD2-CZ 3.53Å; L424-F426 HydrophobicContact CG-CE1 4.43Å; L424-F426 HydrophobicContact CG-CE2 3.91Å; L424-F426 HydrophobicContact CG-CZ 3.78Å; F426-I430 WeakPolarHBondContact CB-O 3.3Å; F426-F435 HydrophobicContact CD2-CD2 4.48Å; F426-F435 HydrophobicContact CD2-CE2 4.12Å; F426-F435 HydrophobicContact CE2-CE2 4.2Å; F426-V460 HydrophobicContact CE2-CG1 4.38Å; F426-V460 HydrophobicContact CZ-CG1 3.9Å; F426-L462 HydrophobicContact CD1-CD2 4.32Å; F426-L462 HydrophobicContact CE1-CD2 3.52Å; F426-L462 HydrophobicContact CZ-CD2 3.71Å; F426-A480 HydrophobicContact CD1-CB 4.46Å; F426-A480 HydrophobicContact CE1-CB 4.29Å; F426-L514 HydrophobicContact CD1-CD1 3.55Å; F426-L514 HydrophobicContact CE1-CD1 3.65Å
427	S	89.9	Confident	82.1	Confident	64 Å²	64	35.6 Å²	35.6	45%	0.448	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152.1	176.1	-176.8	0	0	0	0	110.3	G478 T479	S427-G478 CarbonylContact O-C 3.55Å; S427-G478 WeakPolarHBondContact O-CA 3.05Å; S427-T479 PolarHBondContact N-O 3.02Å; S427-T479 PolarHBondContact O-N 3.41Å
428	G	88.7	Confident	79.6	Confident	56 Å²	56	36 Å²	36	58%	0.577	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	87.3	-146	-173.3	0	0	0	0	0	112	I430	G428-I430 VanDerWaalsContact C-N 3.32Å; G428-I430 PolarHBondContact O-N 3.26Å
429	N	88.6	Confident	76.9	Confident	15 Å²	15	43.9 Å²	43.9	8%	0.08	25%	0.249	C	C	.	.	S	Bend	trans	-96.2	22.8	-172.9	-162	24.5	0	0	0	113.9	E464 V465 D466 G469 N470 Y476 K477	N429-E464 WeakPolarHBondContact O-CA 3.39Å; N429-V465 PolarHBondContact O-N 3.2Å; N429-V465 PolarHBondContact OD1-N 3.24Å; N429-D466 PolarHBondContact ND2-O 2.72Å; N429-D466 WeakPolarHBondContact OD1-CA 3.39Å; N429-D466 PolarHBondContact OD1-N 3.08Å; N429-D466 PolarHBondContact OD1-O 3.01Å; N429-G469 WeakPolarHBondContact ND2-CA 3.32Å; N429-N470 WeakPolarHBondContact CB-OD1 3.45Å; N429-N470 PolarHBondContact ND2-OD1 3.46Å; N429-Y476 WeakPolarHBondContact ND2-CD1 3.2Å; N429-K477 PolarHBondContact N-O 2.99Å
430	I	89.3	Confident	74.3	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.6	-179.5	-61.7	176	0	0	0	107.5	F426 G428 L462 T463 L514 L516	F426-I430 WeakPolarHBondContact CB-O 3.3Å; G428-I430 VanDerWaalsContact C-N 3.32Å; G428-I430 PolarHBondContact O-N 3.26Å; I430-L462 HydrophobicContact CG2-CB 4.13Å; I430-L462 HydrophobicContact CG2-CD1 4.22Å; I430-L462 HydrophobicContact CG2-CD2 4.17Å; I430-L462 HydrophobicContact CG2-CG 4.43Å; I430-T463 CarbonylContact C-O 3.59Å; I430-T463 WeakPolarHBondContact CA-O 3.4Å; I430-L514 HydrophobicContact CD1-CB 3.53Å; I430-L514 HydrophobicContact CG2-CD1 3.98Å; I430-L516 HydrophobicContact CD1-CB 4.39Å; I430-L516 HydrophobicContact CD1-CD1 4.16Å; I430-L516 HydrophobicContact CD1-CG 3.92Å; I430-L516 HydrophobicContact CG1-CD1 4.01Å; I430-L516 HydrophobicContact CG1-CG 4.32Å; I430-L516 HydrophobicContact CG2-CD1 3.96Å
431	T	88.5	Confident	71.7	Confident	24 Å²	24	55.1 Å²	55.1	15%	0.147	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	175.6	171.5	-168.8	0	0	0	0	109.9	T436 L462 T463 V465	T431-T436 HydrophobicContact CG2-CG2 4.24Å; T431-L462 CarbonylContact O-C 3.39Å; T431-L462 WeakPolarHBondContact O-CA 3.46Å; T431-T463 PolarHBondContact N-O 3.38Å; T431-T463 PolarHBondContact O-N 3.35Å; T431-T463 VanDerWaalsContact O-O 3.1Å; T431-V465 HydrophobicContact CG2-CG2 3.79Å
432	S	86.5	Confident	69.3	Low	0 Å²	0	62.4 Å²	62.4	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144.6	169	169.5	0	0	0	0	110.9	A434 F435 E446 R461	S432-A434 PolarHBondContact O-N 3.43Å; S432-A434 VanDerWaalsContact O-N 3.13Å; S432-A434 PolarHBondContact OG-N 3.44Å; S432-F435 WeakPolarHBondContact O-CB 3.14Å; S432-F435 PolarHBondContact O-N 2.9Å; S432-E446 VanDerWaalsContact CB-OE1 3.27Å; S432-E446 WeakPolarHBondContact CB-OE1 3.32Å; S432-E446 PolarHBondContact OG-OE1 2.95Å; S432-R461 WeakPolarHBondContact CA-O 3.4Å; S432-R461 PolarHBondContact OG-O 3.25Å
433	T	74.3	Confident	67.1	Low	39 Å²	39	68 Å²	68	24%	0.239	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-49.7	-34.3	173.7	48.8	0	0	0	0	113.6	F435 T436 R461 T463	T433-F435 PolarHBondContact O-N 2.79Å; T433-T436 PolarHBondContact O-N 2.96Å; T433-T436 VanDerWaalsContact O-N 3.1Å; T433-T436 PolarHBondContact O-OG1 2.6Å; T433-R461 HydrophobicContact CG2-CB 4.31Å; T433-R461 HydrophobicContact CG2-CG 4.05Å; T433-R461 PolarHBondContact N-O 2.96Å; T433-R461 PolarHBondContact OG1-O 3.13Å; T433-T463 HydrophobicContact CG2-CG2 3.39Å
434	A	60.2	Low	65.2	Low	36 Å²	36	70.7 Å²	70.7	30%	0.298	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-59.7	-32.7	178.7	0	0	0	0	0	112.8	S432 T436	S432-A434 PolarHBondContact O-N 3.43Å; S432-A434 VanDerWaalsContact O-N 3.13Å; S432-A434 PolarHBondContact OG-N 3.44Å; A434-T436 VanDerWaalsContact C-N 3.31Å; A434-T436 PolarHBondContact O-N 2.9Å
435	F	52	Low	63.9	Low	60 Å²	60	71.6 Å²	71.6	26%	0.263	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-75.2	-17.6	179.3	-72.4	-84.9	0	0	0	113.7	F426 S432 T433	F426-F435 HydrophobicContact CD2-CD2 4.48Å; F426-F435 HydrophobicContact CD2-CE2 4.12Å; F426-F435 HydrophobicContact CE2-CE2 4.2Å; S432-F435 WeakPolarHBondContact O-CB 3.14Å; S432-F435 PolarHBondContact O-N 2.9Å; T433-F435 PolarHBondContact O-N 2.79Å
436	T	46.4	Very low	63.5	Low	91 Å²	91	68.2 Å²	68.2	56%	0.558	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-88.6	-11.8	-176.2	58	0	0	0	0	114	T431 T433 A434	T431-T436 HydrophobicContact CG2-CG2 4.24Å; T433-T436 PolarHBondContact O-N 2.96Å; T433-T436 VanDerWaalsContact O-N 3.1Å; T433-T436 PolarHBondContact O-OG1 2.6Å; A434-T436 VanDerWaalsContact C-N 3.31Å; A434-T436 PolarHBondContact O-N 2.9Å
437	Q	45.2	Very low	63.4	Low	170 Å²	170	70 Å²	70	79%	0.794	40%	0.401	S	S	*	.	S	Bend	trans	-101.8	-13.2	-175.6	-65.4	-177.7	5.1	0	0	114
438	S	41	Very low	63.4	Low	39 Å²	39	67.5 Å²	67.5	27%	0.273	38%	0.383	S	S	.	.			trans	-101.3	89.8	-178.8	62.2	0	0	0	0	112	T440	S438-T440 PolarHBondContact O-N 2.7Å
439	N	36.3	Very low	63.6	Low	171 Å²	171	66 Å²	66	91%	0.914	36%	0.363	S	S	*	.			trans	-81.5	12	164.9	-84.8	-12.6	0	0	0	113.1
440	T	35.8	Very low	63.8	Low	111 Å²	111	65.4 Å²	65.4	68%	0.681	36%	0.359	S	S	*	.	S	Bend	trans	-107.7	131.8	173.1	43.8	0	0	0	0	109.1	S438 E442	S438-T440 PolarHBondContact O-N 2.7Å; T440-E442 PolarHBondContact O-N 3.38Å
441	S	38.2	Very low	64	Low	129 Å²	129	65.6 Å²	65.6	90%	0.902	36%	0.36	S	S	*	.	S	Bend	trans	-63.5	36.6	-170.9	55.8	0	0	0	0	116.9
442	E	42.4	Very low	64.2	Low	161 Å²	161	64.9 Å²	64.9	75%	0.752	36%	0.356	S	S	*	.	S	Bend	trans	-115.2	97.5	164.1	-70.9	-166	168.9	0	0	107.6	T440 S444	T440-E442 PolarHBondContact O-N 3.38Å; E442-S444 PolarHBondContact O-N 3.42Å
443	E	45.4	Very low	64.3	Low	120 Å²	120	65.3 Å²	65.3	56%	0.561	36%	0.358	S	S	*	.			trans	-57.5	97.5	178	-60.2	175.9	148.5	0	0	109.7	H445	E443-H445 WeakPolarHBondContact CB-NE2 3.38Å; E443-H445 PolarHBondContact O-CD2 3.14Å; E443-H445 VanDerWaalsContact O-CD2 3.28Å; E443-H445 PolarHBondContact O-N 3.44Å; E443-H445 IonicContact OE2-CD2 3.83Å; E443-H445 IonicContact OE2-CE1 3.71Å; E443-H445 PolarHBondContact OE2-CE1 3.31Å; E443-H445 IonicContact OE2-NE2 3.22Å; E443-H445 PolarHBondContact OE2-NE2 3.27Å
444	S	51.5	Low	65	Low	62 Å²	62	65.8 Å²	65.8	43%	0.434	36%	0.355	S	S	.	.			trans	-74.5	71.8	172.6	59.3	0	0	0	0	108.8	E442 E446	E442-S444 PolarHBondContact O-N 3.42Å; S444-E446 PolarHBondContact O-N 3.36Å
445	H	62.5	Low	66.3	Low	20 Å²	20	69.8 Å²	69.8	9%	0.093	36%	0.363	C	S	.	.			trans	-63.8	133.6	175.9	-65.2	-76.1	0	0	0	109.7	L423 E443 R447	L423-H445 HydrophobicContact CD1-CB 3.17Å; L423-H445 HydrophobicContact CD2-CB 4.34Å; L423-H445 HydrophobicContact CG-CB 3.84Å; E443-H445 WeakPolarHBondContact CB-NE2 3.38Å; E443-H445 PolarHBondContact O-CD2 3.14Å; E443-H445 VanDerWaalsContact O-CD2 3.28Å; E443-H445 PolarHBondContact O-N 3.44Å; E443-H445 IonicContact OE2-CD2 3.83Å; E443-H445 IonicContact OE2-CE1 3.71Å; E443-H445 PolarHBondContact OE2-CE1 3.31Å; E443-H445 IonicContact OE2-NE2 3.22Å; E443-H445 PolarHBondContact OE2-NE2 3.27Å; H445-R447 WeakPolarHBondContact O-CG 3.41Å; H445-R447 PolarHBondContact O-N 3.07Å
446	E	81.2	Confident	68.2	Low	27 Å²	27	67.1 Å²	67.1	13%	0.126	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	126.8	168.5	-75.4	176.8	168.6	0	0	109.2	L424 S432 S444 L458 V460	L424-E446 HydrophobicContact CB-CB 4.12Å; L424-E446 WeakPolarHBondContact CB-O 3.43Å; L424-E446 HydrophobicContact CD2-CB 4.17Å; L424-E446 WeakPolarHBondContact CD2-OE2 3.46Å; L424-E446 PolarHBondContact N-O 3.18Å; S432-E446 VanDerWaalsContact CB-OE1 3.27Å; S432-E446 WeakPolarHBondContact CB-OE1 3.32Å; S432-E446 PolarHBondContact OG-OE1 2.95Å; S444-E446 PolarHBondContact O-N 3.36Å; E446-L458 HydrophobicContact CB-CD2 4.18Å; E446-V460 WeakPolarHBondContact OE1-CG1 3.12Å; E446-V460 WeakPolarHBondContact OE2-CG1 3.39Å; E446-V460 VanDerWaalsContact OE2-CG2 3.3Å; E446-V460 WeakPolarHBondContact OE2-CG2 3.46Å
447	R	86.9	Confident	70.3	Confident	74 Å²	74	66.1 Å²	66.1	28%	0.279	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.3	-172.8	-71.9	170.9	-175.5	163.4	5.8	110.3	L422 L423 H445 A497	L422-R447 WeakPolarHBondContact O-CA 3.42Å; L423-R447 HydrophobicContact CD1-CG 3.53Å; H445-R447 WeakPolarHBondContact O-CG 3.41Å; H445-R447 PolarHBondContact O-N 3.07Å; R447-A497 PolarHBondContact NH1-O 3.2Å
448	L	90.8	Very high	72.4	Confident	11 Å²	11	60 Å²	60	6%	0.058	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	114.4	171.9	178.5	66	0	0	0	109.1	A388 Q421 L422 N456 L458	A388-L448 HydrophobicContact CB-CD2 3.62Å; A388-L448 HydrophobicContact CB-CG 4.48Å; Q421-L448 CarbonylContact C-O 3.52Å; Q421-L448 WeakPolarHBondContact CA-O 3.11Å; L422-L448 HydrophobicContact CB-CB 4.36Å; L422-L448 PolarHBondContact N-O 3.37Å; L422-L448 PolarHBondContact O-N 3.48Å; L448-N456 HydrophobicContact CD1-CB 4.15Å; L448-L458 HydrophobicContact CB-CD2 4.45Å; L448-L458 HydrophobicContact CD1-CB 4.01Å
449	T	91.9	Very high	74.7	Confident	26 Å²	26	64.3 Å²	64.3	16%	0.16	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	132.2	175.5	-53.6	0	0	0	0	109.7	C72 Q421 H451 N456	C72-T449 HydrophobicContact CB-CG2 3.72Å; Q421-T449 HydrophobicContact CG-CG2 4.25Å; Q421-T449 PolarHBondContact NE2-OG1 3.39Å; Q421-T449 VanDerWaalsContact NE2-OG1 3.15Å; T449-H451 VanDerWaalsContact CG2-NE2 3.33Å; T449-H451 WeakPolarHBondContact CG2-NE2 3.45Å; T449-N456 PolarHBondContact O-OD1 2.82Å
450	F	94.1	Very high	77.3	Confident	1 Å²	1	56.3 Å²	56.3	0%	0.004	29%	0.289	C	S	.	.			trans	-90.6	125.3	179.3	178.2	-101.9	0	0	0	112.1	H368 V370 A388 P390 L416 C417 G419 D420 C452 N456	H368-F450 HydrophobicContact CB-CE1 3.86Å; H368-F450 HydrophobicContact CB-CZ 3.81Å; H368-F450 AromaticContact CD2-CE1 3.91Å; V370-F450 HydrophobicContact CB-CE2 4.44Å; V370-F450 HydrophobicContact CG1-CD2 4.37Å; V370-F450 HydrophobicContact CG1-CE2 4.17Å; V370-F450 HydrophobicContact CG2-CD2 4.01Å; V370-F450 HydrophobicContact CG2-CE1 4.14Å; V370-F450 HydrophobicContact CG2-CE2 3.34Å; V370-F450 HydrophobicContact CG2-CZ 3.41Å; V370-F450 VanDerWaalsContact CG2-CZ 3.41Å; A388-F450 HydrophobicContact CB-CD2 4.25Å; P390-F450 HydrophobicContact CG-CE2 3.99Å; P390-F450 HydrophobicContact CG-CZ 4.11Å; L416-F450 HydrophobicContact CB-CB 4.46Å; L416-F450 HydrophobicContact CB-CD1 3.8Å; L416-F450 HydrophobicContact CB-CE1 4.22Å; L416-F450 HydrophobicContact CB-CG 4.07Å; L416-F450 HydrophobicContact CD1-CB 3.93Å; L416-F450 HydrophobicContact CD1-CD2 4.16Å; L416-F450 HydrophobicContact CD1-CG 3.93Å; C417-F450 WeakPolarHBondContact O-CD1 3.47Å; G419-F450 PolarHBondContact N-O 3.39Å; D420-F450 PolarHBondContact O-N 2.89Å; F450-C452 HydrophobicContact CE1-CB 4.15Å; F450-C452 HydrophobicContact CZ-CB 4.03Å; F450-N456 WeakPolarHBondContact CD2-ND2 3.24Å
451	H	93.8	Very high	79.8	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.028	29%	0.286	C	S	.	.			trans	-133.1	118.5	172.6	-66.7	-63.6	0	0	0	109	S71 L81 E418 T449 Q453 R454 N456	S71-H451 VanDerWaalsContact CB-NE2 3.26Å; S71-H451 WeakPolarHBondContact CB-NE2 3.21Å; S71-H451 PolarHBondContact O-CE1 3.17Å; S71-H451 PolarHBondContact OG-NE2 3.42Å; L81-H451 HydrophobicContact CB-CB 4.5Å; E418-H451 WeakPolarHBondContact OE1-CA 3.18Å; E418-H451 IonicContact OE1-CE1 2.68Å; E418-H451 IonicContact OE1-CG 2.9Å; E418-H451 IonicContact OE1-ND1 3.4Å; E418-H451 PolarHBondContact OE1-ND1 2.8Å; E418-H451 WeakPolarHBondContact OE2-CA 3.33Å; T449-H451 VanDerWaalsContact CG2-NE2 3.33Å; T449-H451 WeakPolarHBondContact CG2-NE2 3.45Å; H451-Q453 VanDerWaalsContact C-N 3.28Å; H451-Q453 PolarHBondContact O-N 2.85Å; H451-R454 HydrophobicContact CB-CB 3.86Å; H451-R454 HydrophobicContact CB-CG 4.16Å; H451-R454 PolarHBondContact O-N 3.24Å; H451-N456 PolarHBondContact N-OD1 3.47Å; H451-N456 PolarHBondContact O-ND2 3.15Å; H451-N456 PolarHBondContact O-OD1 3.45Å
452	C	90.9	Very high	82.3	Confident	8 Å²	8	52.7 Å²	52.7	5%	0.054	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.7	-169	61.7	0	0	0	0	114.2	E80 E418 F450	E80-C452 WeakPolarHBondContact CG-SG 3.38Å; E418-C452 PolarHBondContact OE2-N 3.2Å; E418-C452 PolarHBondContact OE2-SG 3.08Å; F450-C452 HydrophobicContact CE1-CB 4.15Å; F450-C452 HydrophobicContact CZ-CB 4.03Å
453	Q	90.1	Very high	84.5	Confident	9 Å²	9	46.7 Å²	46.7	4%	0.042	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-8.3	179.9	-63.7	-84.5	0.4	0	0	112.8	E80 V82 R109 H110 H451	E80-Q453 HydrophobicContact CB-CG 3.98Å; E80-Q453 WeakPolarHBondContact OE2-CG 3.43Å; E80-Q453 PolarHBondContact OE2-NE2 3.24Å; V82-Q453 HydrophobicContact CG1-CB 3.81Å; V82-Q453 HydrophobicContact CG1-CG 3.89Å; R109-Q453 WeakPolarHBondContact CD-O 3.39Å; R109-Q453 WeakPolarHBondContact CG-O 3.42Å; R109-Q453 PolarHBondContact NE-O 2.84Å; H110-Q453 PolarHBondContact O-NE2 3.02Å; H110-Q453 VanDerWaalsContact O-NE2 3.17Å; H451-Q453 VanDerWaalsContact C-N 3.28Å; H451-Q453 PolarHBondContact O-N 2.85Å
454	R	88.6	Confident	86.6	Confident	49 Å²	49	44 Å²	44	19%	0.185	21%	0.205	C	C	.	.	S	Bend	trans	-107	169.8	-177.9	-64.7	-179.3	62.9	-176.9	-5.4	112	D68 L81 S83 H451	D68-R454 IonicContact OD1-CZ 3.68Å; D68-R454 IonicContact OD1-NH1 3.76Å; D68-R454 PolarHBondContact OD1-NH1 3.14Å; D68-R454 VanDerWaalsContact OD1-NH1 3.12Å; D68-R454 IonicContact OD1-NH2 2.9Å; D68-R454 PolarHBondContact OD1-NH2 2.84Å; D68-R454 IonicContact OD2-NH2 2.99Å; L81-R454 WeakPolarHBondContact O-CG 3.38Å; S83-R454 WeakPolarHBondContact O-CD 3.42Å; S83-R454 PolarHBondContact O-NH1 2.86Å; H451-R454 HydrophobicContact CB-CB 3.86Å; H451-R454 HydrophobicContact CB-CG 4.16Å; H451-R454 PolarHBondContact O-N 3.24Å
455	R	87.4	Confident	88.3	Confident	120 Å²	120	45.3 Å²	45.3	45%	0.453	21%	0.211	S	C	.	.			trans	-79.1	120.1	166.8	-70.3	-178.7	-177.8	-159	-6.4	108.3	R400 E457	R400-R455 VanDerWaalsContact NH1-NH2 3.12Å; R455-E457 HydrophobicContact CB-CG 4.48Å
456	N	91.3	Very high	89.4	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.027	22%	0.224	C	C	.	.			trans	-102.7	85.3	175.5	-48	-60.9	0	0	0	106.9	A387 A388 L448 T449 F450 H451	A387-N456 CarbonylContact C-O 3.53Å; A387-N456 WeakPolarHBondContact CA-O 3.39Å; A388-N456 HydrophobicContact CB-CB 4Å; A388-N456 PolarHBondContact N-O 2.86Å; A388-N456 PolarHBondContact O-ND2 2.8Å; L448-N456 HydrophobicContact CD1-CB 4.15Å; T449-N456 PolarHBondContact O-OD1 2.82Å; F450-N456 WeakPolarHBondContact CD2-ND2 3.24Å; H451-N456 PolarHBondContact N-OD1 3.47Å; H451-N456 PolarHBondContact O-ND2 3.15Å; H451-N456 PolarHBondContact O-OD1 3.45Å
457	E	90.7	Very high	89.5	Confident	70 Å²	70	49.1 Å²	49.1	33%	0.327	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.7	-175.8	-72	172.5	-159.1	0	0	109.7	L385 L386 A387 R400 R455	L385-E457 HydrophobicContact CD1-CB 4.12Å; L386-E457 CarbonylContact O-C 3.43Å; L386-E457 VanDerWaalsContact O-CA 3.32Å; L386-E457 WeakPolarHBondContact O-CA 3.47Å; A387-E457 HydrophobicContact CB-CG 3.99Å; R400-E457 IonicContact CZ-OE1 2.77Å; R400-E457 IonicContact NH1-OE1 3.28Å; R400-E457 IonicContact NH2-OE1 3.75Å; R400-E457 PolarHBondContact NH2-OE1 2.84Å; R455-E457 HydrophobicContact CB-CG 4.48Å
458	L	90.1	Very high	89.3	Confident	40 Å²	40	52.3 Å²	52.3	21%	0.209	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	121.4	177.6	177.4	68.1	0	0	0	108.7	L386 L424 E446 L448 V460	L386-L458 HydrophobicContact CB-CB 4.49Å; L386-L458 PolarHBondContact N-O 3.4Å; L386-L458 PolarHBondContact O-N 2.86Å; L424-L458 HydrophobicContact CD2-CD2 4.47Å; E446-L458 HydrophobicContact CB-CD2 4.18Å; L448-L458 HydrophobicContact CB-CD2 4.45Å; L448-L458 HydrophobicContact CD1-CB 4.01Å; L458-V460 HydrophobicContact CD2-CG2 3.97Å; L458-V460 HydrophobicContact CG-CG2 3.89Å
459	L	89.8	Confident	88.8	Confident	131 Å²	131	52.4 Å²	52.4	69%	0.686	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.8	174	-175.5	68.7	0	0	0	109
460	V	89.5	Confident	88.5	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.2	-179.6	179.3	0	0	0	0	109.6	V384 L386 L424 F426 E446 L458 L462	V384-V460 PolarHBondContact N-O 3.18Å; V384-V460 PolarHBondContact O-N 2.96Å; L386-V460 HydrophobicContact CD1-CG2 4.05Å; L424-V460 HydrophobicContact CD2-CG2 3.91Å; F426-V460 HydrophobicContact CE2-CG1 4.38Å; F426-V460 HydrophobicContact CZ-CG1 3.9Å; E446-V460 WeakPolarHBondContact OE1-CG1 3.12Å; E446-V460 WeakPolarHBondContact OE2-CG1 3.39Å; E446-V460 VanDerWaalsContact OE2-CG2 3.3Å; E446-V460 WeakPolarHBondContact OE2-CG2 3.46Å; L458-V460 HydrophobicContact CD2-CG2 3.97Å; L458-V460 HydrophobicContact CG-CG2 3.89Å; V460-L462 HydrophobicContact CG1-CD2 3.92Å
461	R	89.4	Confident	87.6	Confident	161 Å²	161	64 Å²	64	61%	0.608	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.4	174.3	-170.6	174.5	-171.4	166.7	3.4	110.4	H382 S432 T433	H382-R461 HydrophobicContact CB-CG 4.46Å; H382-R461 CarbonylContact O-C 3.52Å; H382-R461 WeakPolarHBondContact O-CA 3.42Å; S432-R461 WeakPolarHBondContact CA-O 3.4Å; S432-R461 PolarHBondContact OG-O 3.25Å; T433-R461 HydrophobicContact CG2-CB 4.31Å; T433-R461 HydrophobicContact CG2-CG 4.05Å; T433-R461 PolarHBondContact N-O 2.96Å; T433-R461 PolarHBondContact OG1-O 3.13Å
462	L	89.6	Confident	86.9	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.016	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	145.9	-175.7	-53.8	-179.7	0	0	0	112.5	H382 V384 F426 I430 T431 V460 L514 L516	H382-L462 PolarHBondContact ND1-O 2.95Å; H382-L462 PolarHBondContact O-N 3.32Å; V384-L462 HydrophobicContact CB-CD1 4.22Å; V384-L462 HydrophobicContact CB-CG 4.39Å; V384-L462 HydrophobicContact CG2-CD1 3.4Å; V384-L462 HydrophobicContact CG2-CG 3.92Å; F426-L462 HydrophobicContact CD1-CD2 4.32Å; F426-L462 HydrophobicContact CE1-CD2 3.52Å; F426-L462 HydrophobicContact CZ-CD2 3.71Å; I430-L462 HydrophobicContact CG2-CB 4.13Å; I430-L462 HydrophobicContact CG2-CD1 4.22Å; I430-L462 HydrophobicContact CG2-CD2 4.17Å; I430-L462 HydrophobicContact CG2-CG 4.43Å; T431-L462 CarbonylContact O-C 3.39Å; T431-L462 WeakPolarHBondContact O-CA 3.46Å; V460-L462 HydrophobicContact CG1-CD2 3.92Å; L462-L514 HydrophobicContact CD1-CD1 4.37Å; L462-L514 HydrophobicContact CD1-CD2 4.3Å; L462-L516 HydrophobicContact CB-CD1 3.8Å; L462-L516 HydrophobicContact CB-CD2 4.07Å; L462-L516 HydrophobicContact CB-CG 4.4Å; L462-L516 HydrophobicContact CD1-CD2 3.96Å; L462-L516 HydrophobicContact CD1-CG 4.39Å
463	T	89.6	Confident	86.5	Confident	34 Å²	34	70.1 Å²	70.1	21%	0.209	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.8	173.3	44.1	0	0	0	0	110.8	I430 T431 T433	I430-T463 CarbonylContact C-O 3.59Å; I430-T463 WeakPolarHBondContact CA-O 3.4Å; T431-T463 PolarHBondContact N-O 3.38Å; T431-T463 PolarHBondContact O-N 3.35Å; T431-T463 VanDerWaalsContact O-O 3.1Å; T433-T463 HydrophobicContact CG2-CG2 3.39Å
464	E	89.1	Confident	86.2	Confident	64 Å²	64	74.9 Å²	74.9	30%	0.299	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	147	169.1	62.6	-86.9	-152.9	0	0	111.8	N429 P467 Y476	N429-E464 WeakPolarHBondContact O-CA 3.39Å; E464-P467 HydrophobicContact CG-CG 4.36Å; E464-Y476 HydrophobicContact CB-CD1 4.27Å; E464-Y476 HydrophobicContact CB-CD2 3.73Å; E464-Y476 HydrophobicContact CB-CE1 4.27Å; E464-Y476 HydrophobicContact CB-CE2 3.74Å; E464-Y476 HydrophobicContact CB-CG 4Å; E464-Y476 HydrophobicContact CG-CD2 4.38Å; E464-Y476 HydrophobicContact CG-CE2 3.89Å
465	V	87.3	Confident	86.2	Confident	90 Å²	90	73.8 Å²	73.8	55%	0.545	38%	0.376	S	S	.	.	S	Bend	trans	-85.2	-53.3	174.8	177.4	0	0	0	0	109.9	N429 T431	N429-V465 PolarHBondContact O-N 3.2Å; N429-V465 PolarHBondContact OD1-N 3.24Å; T431-V465 HydrophobicContact CG2-CG2 3.79Å
466	D	85.1	Confident	86.3	Confident	71 Å²	71	69 Å²	69	38%	0.38	36%	0.358	S	S	.	.			trans	-114.8	112.7	174.2	174.4	13.9	0	0	0	109.6	N429 F468 G469	N429-D466 PolarHBondContact ND2-O 2.72Å; N429-D466 WeakPolarHBondContact OD1-CA 3.39Å; N429-D466 PolarHBondContact OD1-N 3.08Å; N429-D466 PolarHBondContact OD1-O 3.01Å; D466-F468 PolarHBondContact O-N 3.1Å; D466-F468 VanDerWaalsContact O-N 3.07Å; D466-F468 WeakPolarHBondContact OD1-CB 3.48Å; D466-F468 PolarHBondContact OD1-N 2.9Å; D466-G469 VanDerWaalsContact CG-N 3.35Å; D466-G469 PolarHBondContact O-N 2.77Å; D466-G469 PolarHBondContact OD2-N 3.02Å; D466-G469 VanDerWaalsContact OD2-N 3.12Å
467	P	84	Confident	86.3	Confident	55 Å²	55	73.9 Å²	73.9	36%	0.357	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.1	175.6	-25.7	35.2	0	0	0	114.6	E464 Y476	E464-P467 HydrophobicContact CG-CG 4.36Å; P467-Y476 WeakPolarHBondContact O-CE1 3.34Å; P467-Y476 PolarHBondContact O-OH 2.98Å
468	F	81.4	Confident	86.3	Confident	142 Å²	142	71 Å²	71	62%	0.623	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-9.6	179.8	-56.1	-80.4	0	0	0	113.3	D466	D466-F468 PolarHBondContact O-N 3.1Å; D466-F468 VanDerWaalsContact O-N 3.07Å; D466-F468 WeakPolarHBondContact OD1-CB 3.48Å; D466-F468 PolarHBondContact OD1-N 2.9Å
469	G	80.9	Confident	86.5	Confident	12 Å²	12	71.3 Å²	71.3	12%	0.124	37%	0.372	C	S	.	.	S	Bend	trans	-63.5	157	179.5	0	0	0	0	0	113.2	N429 D466 Y471 K518	N429-G469 WeakPolarHBondContact ND2-CA 3.32Å; D466-G469 VanDerWaalsContact CG-N 3.35Å; D466-G469 PolarHBondContact O-N 2.77Å; D466-G469 PolarHBondContact OD2-N 3.02Å; D466-G469 VanDerWaalsContact OD2-N 3.12Å; G469-Y471 VanDerWaalsContact C-N 3.34Å; G469-Y471 PolarHBondContact O-N 2.8Å; G469-K518 WeakPolarHBondContact O-CE 3.47Å; G469-K518 PolarHBondContact O-NZ 2.83Å
470	N	85.8	Confident	86.6	Confident	56 Å²	56	65.1 Å²	65.1	30%	0.299	34%	0.34	S	S	.	.	S	Bend	trans	54.8	40.7	-176.3	-48.3	117.7	0	0	0	114	N429 S472 S473 K477 K518	N429-N470 WeakPolarHBondContact CB-OD1 3.45Å; N429-N470 PolarHBondContact ND2-OD1 3.46Å; N470-S472 PolarHBondContact O-N 3.35Å; N470-S472 VanDerWaalsContact O-N 3.09Å; N470-S473 PolarHBondContact O-N 3.06Å; N470-K477 PolarHBondContact OD1-N 3.18Å; N470-K518 PolarHBondContact O-NZ 3.38Å
471	Y	75.9	Confident	86.7	Confident	216 Å²	216	66.1 Å²	66.1	85%	0.847	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-38.9	-174	177.7	-98.4	0	0	0	114.8	G469 S473	G469-Y471 VanDerWaalsContact C-N 3.34Å; G469-Y471 PolarHBondContact O-N 2.8Å; Y471-S473 PolarHBondContact O-N 3.03Å
472	S	78.5	Confident	86.9	Confident	124 Å²	124	58.6 Å²	58.6	87%	0.867	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	1.7	179.9	55.3	0	0	0	0	115	N470	N470-S472 PolarHBondContact O-N 3.35Å; N470-S472 VanDerWaalsContact O-N 3.09Å
473	S	82.5	Confident	87	Confident	18 Å²	18	60 Å²	60	13%	0.126	32%	0.322	C	S	.	.	S	Bend	trans	-123.1	141.3	-176.6	-165.9	0	0	0	0	112	N470 Y471 C475 K477 K518	N470-S473 PolarHBondContact O-N 3.06Å; Y471-S473 PolarHBondContact O-N 3.03Å; S473-C475 WeakPolarHBondContact CB-O 3.23Å; S473-C475 PolarHBondContact O-N 3.3Å; S473-C475 PolarHBondContact OG-O 3.16Å; S473-C475 PolarHBondContact OG-SG 3.49Å; S473-C475 VanDerWaalsContact OG-SG 3.34Å; S473-K477 WeakPolarHBondContact OG-CE 3.33Å; S473-K518 WeakPolarHBondContact O-CD 3.33Å; S473-K518 WeakPolarHBondContact O-CE 3.37Å; S473-K518 PolarHBondContact O-NZ 3.37Å
474	P	84.8	Confident	87.1	Confident	109 Å²	109	61.8 Å²	61.8	71%	0.708	33%	0.325	S	S	*	.	S	Bend	trans	-70.5	-8.4	174.3	30.9	-36.8	0	0	0	112.9	K518	P474-K518 WeakPolarHBondContact O-CB 3.47Å; P474-K518 WeakPolarHBondContact O-CG 3.16Å; P474-K518 PolarHBondContact O-N 2.84Å
475	C	87.5	Confident	87.1	Confident	26 Å²	26	58.9 Å²	58.9	18%	0.176	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.3	176.6	54.7	0	0	0	0	111.7	S473 L516	S473-C475 WeakPolarHBondContact CB-O 3.23Å; S473-C475 PolarHBondContact O-N 3.3Å; S473-C475 PolarHBondContact OG-O 3.16Å; S473-C475 PolarHBondContact OG-SG 3.49Å; S473-C475 VanDerWaalsContact OG-SG 3.34Å; C475-L516 CarbonylContact C-O 3.54Å; C475-L516 WeakPolarHBondContact CA-O 3.35Å; C475-L516 WeakPolarHBondContact CB-O 3.48Å
476	Y	90.1	Very high	87.2	Confident	18 Å²	18	56.3 Å²	56.3	7%	0.071	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	134.3	158.6	-58.3	-61.6	0	0	0	108.3	N429 E464 P467 S515 L516 K518	N429-Y476 WeakPolarHBondContact ND2-CD1 3.2Å; E464-Y476 HydrophobicContact CB-CD1 4.27Å; E464-Y476 HydrophobicContact CB-CD2 3.73Å; E464-Y476 HydrophobicContact CB-CE1 4.27Å; E464-Y476 HydrophobicContact CB-CE2 3.74Å; E464-Y476 HydrophobicContact CB-CG 4Å; E464-Y476 HydrophobicContact CG-CD2 4.38Å; E464-Y476 HydrophobicContact CG-CE2 3.89Å; P467-Y476 WeakPolarHBondContact O-CE1 3.34Å; P467-Y476 PolarHBondContact O-OH 2.98Å; Y476-S515 WeakPolarHBondContact O-CA 3.4Å; Y476-L516 HydrophobicContact CD2-CB 4.4Å; Y476-L516 PolarHBondContact N-O 3.12Å; Y476-L516 PolarHBondContact O-N 3.03Å; Y476-K518 HydrophobicContact CD1-CD 4.38Å; Y476-K518 VanDerWaalsContact CD1-CE 3.44Å; Y476-K518 HydrophobicContact CD1-CG 4.16Å; Y476-K518 HydrophobicContact CD2-CG 3.97Å; Y476-K518 HydrophobicContact CE1-CD 4.09Å; Y476-K518 VanDerWaalsContact CE1-CE 3.42Å; Y476-K518 HydrophobicContact CE1-CG 4Å; Y476-K518 HydrophobicContact CE2-CB 4.43Å; Y476-K518 HydrophobicContact CE2-CG 3.76Å; Y476-K518 HydrophobicContact CG-CG 4.17Å
477	K	91.2	Very high	87.3	Confident	109 Å²	109	56.8 Å²	56.8	47%	0.474	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.5	-178.1	-64.9	-174.7	179	-178.1	0	109.9	N429 N470 S473	N429-K477 PolarHBondContact N-O 2.99Å; N470-K477 PolarHBondContact OD1-N 3.18Å; S473-K477 WeakPolarHBondContact OG-CE 3.33Å
478	G	91.4	Very high	87.3	Confident	9 Å²	9	57.9 Å²	57.9	9%	0.093	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	-175	175.4	0	0	0	0	0	111	S427 L514	S427-G478 CarbonylContact O-C 3.55Å; S427-G478 WeakPolarHBondContact O-CA 3.05Å; G478-L514 PolarHBondContact N-O 2.96Å; G478-L514 VanDerWaalsContact N-O 3.08Å; G478-L514 WeakPolarHBondContact O-CA 3.47Å; G478-L514 PolarHBondContact O-N 3.45Å
479	T	92.4	Very high	87.5	Confident	47 Å²	47	55.2 Å²	55.2	29%	0.288	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	132.9	-179.7	-54.4	0	0	0	0	109	S427 L481 K511 L512	S427-T479 PolarHBondContact N-O 3.02Å; S427-T479 PolarHBondContact O-N 3.41Å; T479-L481 HydrophobicContact CG2-CD2 3.87Å; T479-K511 HydrophobicContact CG2-CB 4.01Å; T479-L512 CarbonylContact C-O 3.15Å; T479-L512 WeakPolarHBondContact CA-O 3.38Å; T479-L512 WeakPolarHBondContact CG2-O 3.45Å
480	A	92.3	Very high	87.8	Confident	1 Å²	1	55 Å²	55	1%	0.008	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	123.9	164.9	0	0	0	0	0	109.2	L424 F426 F482 K511 L512 L514	L424-A480 HydrophobicContact CD1-CB 3.85Å; F426-A480 HydrophobicContact CD1-CB 4.46Å; F426-A480 HydrophobicContact CE1-CB 4.29Å; A480-F482 HydrophobicContact CB-CE2 3.79Å; A480-F482 HydrophobicContact CB-CZ 4.12Å; A480-K511 CarbonylContact O-C 3.45Å; A480-K511 WeakPolarHBondContact O-CA 3.47Å; A480-L512 HydrophobicContact CB-CB 4.41Å; A480-L512 PolarHBondContact N-O 2.73Å; A480-L512 PolarHBondContact O-N 3.28Å; A480-L514 HydrophobicContact CB-CD1 4.01Å; A480-L514 HydrophobicContact CB-CG 4.28Å
481	L	92.3	Very high	87.7	Confident	24 Å²	24	56.8 Å²	56.8	13%	0.126	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.9	177.8	-57	176.3	0	0	0	108.6	R425 T479 Y483 P508 K511	R425-L481 PolarHBondContact N-O 2.85Å; R425-L481 PolarHBondContact O-N 3.05Å; T479-L481 HydrophobicContact CG2-CD2 3.87Å; L481-Y483 HydrophobicContact CB-CE2 3.8Å; L481-P508 HydrophobicContact CB-CB 4.24Å; L481-P508 HydrophobicContact CD2-CG 4.34Å; L481-K511 HydrophobicContact CD2-CB 4.2Å; L481-K511 HydrophobicContact CD2-CD 3.87Å; L481-K511 HydrophobicContact CD2-CG 3.64Å
482	F	92.7	Very high	88.1	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.009	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.1	-179.8	-61.5	-94.7	0	0	0	110.2	V372 L386 L422 L423 L424 A480 P508 V509 C510 L512	V372-F482 HydrophobicContact CG1-CD1 4.36Å; V372-F482 HydrophobicContact CG1-CE1 3.85Å; V372-F482 HydrophobicContact CG1-CE2 4.1Å; V372-F482 HydrophobicContact CG1-CZ 3.72Å; L386-F482 HydrophobicContact CD1-CE1 4.1Å; L386-F482 HydrophobicContact CD1-CZ 4.08Å; L386-F482 HydrophobicContact CD2-CZ 3.89Å; L422-F482 HydrophobicContact CB-CD1 4.35Å; L423-F482 WeakPolarHBondContact O-CA 3.27Å; L424-F482 HydrophobicContact CD1-CD1 4.14Å; L424-F482 HydrophobicContact CD1-CE1 3.7Å; L424-F482 HydrophobicContact CD1-CE2 4.32Å; L424-F482 HydrophobicContact CD1-CZ 3.78Å; A480-F482 HydrophobicContact CB-CE2 3.79Å; A480-F482 HydrophobicContact CB-CZ 4.12Å; F482-P508 CarbonylContact O-C 3.59Å; F482-P508 WeakPolarHBondContact O-CA 3.34Å; F482-V509 PolarHBondContact O-N 2.84Å; F482-C510 VanDerWaalsContact CB-SG 3.56Å; F482-C510 WeakPolarHBondContact CD2-SG 3.12Å; F482-C510 PolarHBondContact N-O 2.75Å; F482-L512 HydrophobicContact CE2-CB 4.28Å; F482-L512 HydrophobicContact CE2-CD1 3.85Å; F482-L512 HydrophobicContact CE2-CG 4.11Å; F482-L512 HydrophobicContact CZ-CD1 4.23Å
483	Y	91.5	Very high	88.2	Confident	33 Å²	33	52.3 Å²	52.3	13%	0.129	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.7	175.7	-58.2	-97.3	0	0	0	109.3	L422 L423 R425 L481 L505 A506 P508	L422-Y483 CarbonylContact C-O 3.55Å; L422-Y483 WeakPolarHBondContact CA-O 3.46Å; L423-Y483 PolarHBondContact N-O 2.82Å; L423-Y483 PolarHBondContact O-N 3.17Å; R425-Y483 HydrophobicContact CB-CE2 4Å; R425-Y483 HydrophobicContact CG-CD2 4.14Å; R425-Y483 HydrophobicContact CG-CE2 3.94Å; L481-Y483 HydrophobicContact CB-CE2 3.8Å; Y483-L505 HydrophobicContact CD1-CB 3.92Å; Y483-L505 HydrophobicContact CE1-CB 4.49Å; Y483-L505 HydrophobicContact CG-CB 4.39Å; Y483-L505 HydrophobicContact CG-CD1 4.48Å; Y483-A506 WeakPolarHBondContact CD1-O 3.35Å; Y483-A506 VanDerWaalsContact CE1-O 3.23Å; Y483-A506 WeakPolarHBondContact CE1-O 3.19Å; Y483-P508 HydrophobicContact CD1-CB 4.29Å; Y483-P508 HydrophobicContact CE1-CB 3.98Å; Y483-P508 HydrophobicContact CE1-CG 4.4Å; Y483-P508 HydrophobicContact CE2-CB 4.34Å
484	R	91.8	Very high	88.1	Confident	72 Å²	72	54 Å²	54	27%	0.272	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131.2	175.9	178.2	-177	-179.6	-175.6	1.3	109.1	S415 L416 D420 Q421 L422 V509	S415-R484 VanDerWaalsContact O-CZ 3.3Å; S415-R484 PolarHBondContact O-NH1 2.8Å; L416-R484 HydrophobicContact CD2-CG 4.07Å; D420-R484 IonicContact OD2-CZ 3.43Å; D420-R484 IonicContact OD2-NE 3Å; D420-R484 PolarHBondContact OD2-NE 2.81Å; D420-R484 IonicContact OD2-NH2 3.28Å; D420-R484 PolarHBondContact OD2-NH2 3.07Å; Q421-R484 WeakPolarHBondContact O-CA 3.24Å; L422-R484 HydrophobicContact CD2-CB 4.46Å; R484-V509 HydrophobicContact CB-CG2 3.56Å
485	V	90.4	Very high	87.7	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.5	167.5	-177.9	0	0	0	0	106.9	Q421 E489 L490 P499 L505	Q421-V485 HydrophobicContact CB-CB 4.41Å; Q421-V485 PolarHBondContact N-O 3.32Å; Q421-V485 PolarHBondContact O-N 3.13Å; V485-E489 WeakPolarHBondContact CA-OE2 3.42Å; V485-E489 HydrophobicContact CG1-CB 3.95Å; V485-L490 HydrophobicContact CG1-CD2 3.66Å; V485-L490 HydrophobicContact CG1-CG 4.11Å; V485-P499 HydrophobicContact CG1-CB 4.25Å; V485-P499 HydrophobicContact CG1-CG 4.26Å; V485-L505 HydrophobicContact CG2-CD2 3.79Å
486	T	89.3	Confident	87.3	Confident	36 Å²	36	57.7 Å²	57.7	22%	0.221	29%	0.287	C	S	.	.			trans	-76.7	155.3	-179.3	71	0	0	0	0	110.7	D420 A488 E489	D420-T486 WeakPolarHBondContact OD1-CA 3.48Å; T486-A488 PolarHBondContact O-N 2.9Å; T486-A488 VanDerWaalsContact O-N 3.12Å; T486-E489 WeakPolarHBondContact CG2-OE1 3.09Å; T486-E489 PolarHBondContact N-OE2 2.95Å; T486-E489 WeakPolarHBondContact O-CB 3.21Å; T486-E489 PolarHBondContact O-N 2.94Å; T486-E489 WeakPolarHBondContact OG1-CG 3.36Å; T486-E489 PolarHBondContact OG1-OE1 2.76Å
487	R	86.1	Confident	86.8	Confident	80 Å²	80	57 Å²	57	30%	0.302	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-52.2	-35.4	174.2	177.2	-175.3	161.7	113.7	10.3	113.2	C72 L73 A75 D420 E489 L490	C72-R487 PolarHBondContact O-NH1 3.39Å; C72-R487 VanDerWaalsContact O-NH1 3.1Å; L73-R487 VanDerWaalsContact O-CZ 3.27Å; L73-R487 PolarHBondContact O-NH1 3.13Å; L73-R487 PolarHBondContact O-NH2 3.14Å; A75-R487 PolarHBondContact O-NH1 3.07Å; D420-R487 PolarHBondContact OD1-N 3.4Å; R487-E489 VanDerWaalsContact C-N 3.26Å; R487-E489 PolarHBondContact O-N 3.4Å; R487-L490 PolarHBondContact O-N 3.3Å
488	A	84.6	Confident	86.3	Confident	78 Å²	78	54 Å²	54	65%	0.645	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-68.7	-25	-178.2	0	0	0	0	0	113.3	T486 L490	T486-A488 PolarHBondContact O-N 2.9Å; T486-A488 VanDerWaalsContact O-N 3.12Å; A488-L490 VanDerWaalsContact C-N 3.29Å
489	E	86.5	Confident	85.8	Confident	86 Å²	86	54.5 Å²	54.5	40%	0.402	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-83.8	-5.7	177.1	-67.8	148.8	-148.4	0	0	112.6	V485 T486 R487 P499 R500	V485-E489 WeakPolarHBondContact CA-OE2 3.42Å; V485-E489 HydrophobicContact CG1-CB 3.95Å; T486-E489 WeakPolarHBondContact CG2-OE1 3.09Å; T486-E489 PolarHBondContact N-OE2 2.95Å; T486-E489 WeakPolarHBondContact O-CB 3.21Å; T486-E489 PolarHBondContact O-N 2.94Å; T486-E489 WeakPolarHBondContact OG1-CG 3.36Å; T486-E489 PolarHBondContact OG1-OE1 2.76Å; R487-E489 VanDerWaalsContact C-N 3.26Å; R487-E489 PolarHBondContact O-N 3.4Å; E489-P499 WeakPolarHBondContact O-CA 3.49Å; E489-R500 WeakPolarHBondContact O-CG 3.44Å; E489-R500 PolarHBondContact O-N 2.87Å
490	L	85.8	Confident	85	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.037	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	140.9	179.4	-62	174.3	0	0	0	111.2	C72 L73 Q421 V485 R487 A488 A497 P499	C72-L490 HydrophobicContact CB-CD1 3.86Å; L73-L490 HydrophobicContact CD2-CB 4.26Å; Q421-L490 HydrophobicContact CG-CD1 4.08Å; V485-L490 HydrophobicContact CG1-CD2 3.66Å; V485-L490 HydrophobicContact CG1-CG 4.11Å; R487-L490 PolarHBondContact O-N 3.3Å; A488-L490 VanDerWaalsContact C-N 3.29Å; L490-A497 HydrophobicContact CD1-CB 4.47Å; L490-P499 HydrophobicContact CD2-CB 4.48Å; L490-P499 HydrophobicContact CD2-CG 4.1Å
491	E	85	Confident	83.8	Confident	94 Å²	94	65 Å²	65	44%	0.439	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.7	170.5	-174.7	177.3	-163.3	0	0	109.6	R493 A497 V498 R500	E491-R493 PolarHBondContact O-N 2.7Å; E491-A497 WeakPolarHBondContact O-CA 3.2Å; E491-V498 PolarHBondContact N-O 2.97Å; E491-V498 PolarHBondContact O-N 3.36Å; E491-R500 HydrophobicContact CB-CG 3.83Å
492	R	83.2	Confident	82.1	Confident	68 Å²	68	66.5 Å²	66.5	26%	0.257	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	118.4	172.2	-166	-175.6	-178.4	174.7	-1.2	109.1	L70 L73 E126 G494	L70-R492 HydrophobicContact CD2-CG 4.1Å; L73-R492 HydrophobicContact CD1-CB 3.64Å; L73-R492 HydrophobicContact CD1-CG 3.83Å; E126-R492 WeakPolarHBondContact OE1-CD 3.35Å; E126-R492 IonicContact OE1-CZ 3.92Å; E126-R492 IonicContact OE1-NE 3.67Å; E126-R492 IonicContact OE1-NH1 2.66Å; E126-R492 PolarHBondContact OE1-NH1 2.83Å; R492-G494 PolarHBondContact NE-O 3.08Å
493	R	81.4	Confident	80.5	Confident	178 Å²	178	76.1 Å²	76.1	67%	0.672	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	97.4	171.1	-173	176.3	-74.8	-112.8	-1.9	108.5	E491 D495 K496 V498	E491-R493 PolarHBondContact O-N 2.7Å; R493-D495 PolarHBondContact O-N 2.76Å; R493-K496 PolarHBondContact N-O 3.46Å; R493-K496 PolarHBondContact O-N 3.17Å; R493-V498 HydrophobicContact CB-CG2 4.06Å
494	G	80.2	Confident	78.6	Confident	55 Å²	55	81.2 Å²	81.2	57%	0.567	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-116.9	-173.1	0	0	0	0	0	111.9	R492	R492-G494 PolarHBondContact NE-O 3.08Å
495	D	75.5	Confident	77.3	Confident	79 Å²	79	79.7 Å²	79.7	42%	0.422	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	10.8	-177.5	-72.1	-9.7	0	0	0	114	T69 R87 R493	T69-D495 PolarHBondContact OG1-O 2.75Å; R87-D495 IonicContact CZ-OD1 2.69Å; R87-D495 VanDerWaalsContact CZ-OD1 3.26Å; R87-D495 IonicContact NH1-OD1 2.81Å; R87-D495 IonicContact NH2-OD1 2.71Å; R87-D495 PolarHBondContact NH2-OD1 3.47Å; R493-D495 PolarHBondContact O-N 2.76Å
496	K	78.6	Confident	76.1	Confident	132 Å²	132	83.4 Å²	83.4	57%	0.574	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.1	179.2	-63.5	-178.3	-177.9	176.6	0	111.4	R493 V498	R493-K496 PolarHBondContact N-O 3.46Å; R493-K496 PolarHBondContact O-N 3.17Å; K496-V498 HydrophobicContact CB-CG2 4.17Å
497	A	80.6	Confident	75.7	Confident	4 Å²	4	88.6 Å²	88.6	3%	0.033	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.9	160.8	0	0	0	0	0	108.9	C72 L73 R447 L490 E491	C72-A497 WeakPolarHBondContact SG-CB 3.39Å; L73-A497 HydrophobicContact CD1-CB 3.94Å; L73-A497 HydrophobicContact CG-CB 4.03Å; R447-A497 PolarHBondContact NH1-O 3.2Å; L490-A497 HydrophobicContact CD1-CB 4.47Å; E491-A497 WeakPolarHBondContact O-CA 3.2Å
498	V	81.4	Confident	75.9	Confident	46 Å²	46	86 Å²	86	28%	0.279	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.3	-177	-173.5	0	0	0	0	108.6	E491 R493 K496 R500	E491-V498 PolarHBondContact N-O 2.97Å; E491-V498 PolarHBondContact O-N 3.36Å; R493-V498 HydrophobicContact CB-CG2 4.06Å; K496-V498 HydrophobicContact CB-CG2 4.17Å; V498-R500 PolarHBondContact O-N 2.84Å
499	P	81.1	Confident	76.2	Confident	19 Å²	19	85.1 Å²	85.1	12%	0.123	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	135.9	171.1	-20.7	32	0	0	0	110.9	V485 E489 L490 D501	V485-P499 HydrophobicContact CG1-CB 4.25Å; V485-P499 HydrophobicContact CG1-CG 4.26Å; E489-P499 WeakPolarHBondContact O-CA 3.49Å; L490-P499 HydrophobicContact CD2-CB 4.48Å; L490-P499 HydrophobicContact CD2-CG 4.1Å; P499-D501 VanDerWaalsContact C-N 3.34Å; P499-D501 PolarHBondContact O-N 2.73Å
500	R	74.2	Confident	76.4	Confident	160 Å²	160	81.3 Å²	81.3	60%	0.604	42%	0.424	S	S	*	.	S	Bend	trans	-61.6	-41.5	178.8	-70.7	176.2	-173.4	-160.9	-0.9	112.1	E489 E491 V498	E489-R500 WeakPolarHBondContact O-CG 3.44Å; E489-R500 PolarHBondContact O-N 2.87Å; E491-R500 HydrophobicContact CB-CG 3.83Å; V498-R500 PolarHBondContact O-N 2.84Å
501	D	67.6	Low	76.8	Confident	108 Å²	108	87.4 Å²	87.4	58%	0.578	45%	0.45	S	S	*	.			trans	-132.2	97.9	178.9	-77.2	-47.5	0	0	0	111.5	P499 K503 L504	P499-D501 VanDerWaalsContact C-N 3.34Å; P499-D501 PolarHBondContact O-N 2.73Å; D501-K503 PolarHBondContact O-N 3.12Å; D501-L504 HydrophobicContact CB-CB 4.46Å; D501-L504 HydrophobicContact CB-CD1 4.05Å; D501-L504 HydrophobicContact CB-CG 4.3Å
502	A	57.6	Low	77.2	Confident	57 Å²	57	83.1 Å²	83.1	47%	0.471	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-66.2	-15.7	175.7	0	0	0	0	0	113.6
503	K	57.3	Low	77.6	Confident	203 Å²	203	83.5 Å²	83.5	88%	0.883	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-87.5	-8.1	-174.3	-65.3	-178.4	-179.3	178.4	0	114.4	D501	D501-K503 PolarHBondContact O-N 3.12Å
504	L	52.8	Low	78.1	Confident	140 Å²	140	75.2 Å²	75.2	73%	0.733	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-108.7	23.6	-176.7	-66.8	175.5	0	0	0	113.3	D501 A506	D501-L504 HydrophobicContact CB-CB 4.46Å; D501-L504 HydrophobicContact CB-CD1 4.05Å; D501-L504 HydrophobicContact CB-CG 4.3Å; L504-A506 PolarHBondContact O-N 2.96Å
505	L	63.2	Low	78.4	Confident	41 Å²	41	75 Å²	75	22%	0.215	40%	0.399	C	S	.	.			trans	-65.4	114.1	174	-64.2	170.8	0	0	0	108.7	L423 Y483 V485	L423-L505 HydrophobicContact CD2-CD1 3.4Å; L423-L505 VanDerWaalsContact CD2-CD1 3.4Å; L423-L505 HydrophobicContact CD2-CD2 4.44Å; Y483-L505 HydrophobicContact CD1-CB 3.92Å; Y483-L505 HydrophobicContact CE1-CB 4.49Å; Y483-L505 HydrophobicContact CG-CB 4.39Å; Y483-L505 HydrophobicContact CG-CD1 4.48Å; V485-L505 HydrophobicContact CG2-CD2 3.79Å
506	A	66.4	Low	79	Confident	80 Å²	80	71.2 Å²	71.2	66%	0.661	38%	0.38	S	S	*	.			trans	-60.7	-170.5	174.7	0	0	0	0	0	112.1	Y483 L504	Y483-A506 WeakPolarHBondContact CD1-O 3.35Å; Y483-A506 VanDerWaalsContact CE1-O 3.23Å; Y483-A506 WeakPolarHBondContact CE1-O 3.19Å; L504-A506 PolarHBondContact O-N 2.96Å
507	D	81.4	Confident	79.4	Confident	146 Å²	146	68.3 Å²	68.3	78%	0.781	37%	0.374	S	S	*	.	S	Bend	trans	-56.7	144.4	171.8	-75	-45.5	0	0	0	112.1	V509	D507-V509 PolarHBondContact O-N 3.24Å
508	P	88.8	Confident	79.6	Confident	25 Å²	25	70.3 Å²	70.3	16%	0.162	38%	0.382	C	S	.	.			trans	-61.9	131.4	178.9	26.6	-35.2	0	0	0	110.6	L481 F482 Y483 C510 K511	L481-P508 HydrophobicContact CB-CB 4.24Å; L481-P508 HydrophobicContact CD2-CG 4.34Å; F482-P508 CarbonylContact O-C 3.59Å; F482-P508 WeakPolarHBondContact O-CA 3.34Å; Y483-P508 HydrophobicContact CD1-CB 4.29Å; Y483-P508 HydrophobicContact CE1-CB 3.98Å; Y483-P508 HydrophobicContact CE1-CG 4.4Å; Y483-P508 HydrophobicContact CE2-CB 4.34Å; P508-C510 VanDerWaalsContact C-N 3.32Å; P508-C510 PolarHBondContact O-N 3.34Å; P508-K511 HydrophobicContact CG-CD 4.4Å; P508-K511 HydrophobicContact CG-CG 4.25Å
509	V	91.3	Very high	79.1	Confident	60 Å²	60	76.7 Å²	76.7	36%	0.364	41%	0.406	S	S	.	.	S	Bend	trans	-70.9	-30	-176.3	-174.6	0	0	0	0	111.6	I414 F482 R484 D507	I414-V509 HydrophobicContact CB-CG1 3.92Å; I414-V509 HydrophobicContact CD1-CG1 4.28Å; I414-V509 HydrophobicContact CG2-CG1 3.73Å; F482-V509 PolarHBondContact O-N 2.84Å; R484-V509 HydrophobicContact CB-CG2 3.56Å; D507-V509 PolarHBondContact O-N 3.24Å
510	C	91.6	Very high	78.1	Confident	6 Å²	6	80.2 Å²	80.2	4%	0.041	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	159.5	167.2	67.7	0	0	0	0	112.1	I414 F482 P508	I414-C510 HydrophobicContact CG2-CB 4.2Å; F482-C510 VanDerWaalsContact CB-SG 3.56Å; F482-C510 WeakPolarHBondContact CD2-SG 3.12Å; F482-C510 PolarHBondContact N-O 2.75Å; P508-C510 VanDerWaalsContact C-N 3.32Å; P508-C510 PolarHBondContact O-N 3.34Å
511	K	93.6	Very high	77.1	Confident	135 Å²	135	80.6 Å²	80.6	59%	0.587	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	129.9	-179.8	-54.4	-176.7	-178.5	170.8	0	108.6	T479 A480 L481 P508	T479-K511 HydrophobicContact CG2-CB 4.01Å; A480-K511 CarbonylContact O-C 3.45Å; A480-K511 WeakPolarHBondContact O-CA 3.47Å; L481-K511 HydrophobicContact CD2-CB 4.2Å; L481-K511 HydrophobicContact CD2-CD 3.87Å; L481-K511 HydrophobicContact CD2-CG 3.64Å; P508-K511 HydrophobicContact CG-CD 4.4Å; P508-K511 HydrophobicContact CG-CG 4.25Å
512	L	93.8	Very high	76	Confident	4 Å²	4	80.8 Å²	80.8	2%	0.021	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.6	176.2	-70.7	176.3	0	0	0	110.2	V372 L374 T479 A480 F482	V372-L512 HydrophobicContact CB-CD1 4.41Å; V372-L512 HydrophobicContact CG1-CD1 3.93Å; L374-L512 HydrophobicContact CB-CD1 3.93Å; T479-L512 CarbonylContact C-O 3.15Å; T479-L512 WeakPolarHBondContact CA-O 3.38Å; T479-L512 WeakPolarHBondContact CG2-O 3.45Å; A480-L512 HydrophobicContact CB-CB 4.41Å; A480-L512 PolarHBondContact N-O 2.73Å; A480-L512 PolarHBondContact O-N 3.28Å; F482-L512 HydrophobicContact CE2-CB 4.28Å; F482-L512 HydrophobicContact CE2-CD1 3.85Å; F482-L512 HydrophobicContact CE2-CG 4.11Å; F482-L512 HydrophobicContact CZ-CD1 4.23Å
513	P	91.9	Very high	75.4	Confident	76 Å²	76	84 Å²	84	49%	0.494	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	147.4	178.3	28.7	-32.5	0	0	0	111.2	R376	R376-P513 PolarHBondContact NH2-O 2.82Å
514	L	90.4	Very high	74.5	Confident	4 Å²	4	82.1 Å²	82.1	2%	0.021	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.6	177.7	-63.4	176.1	0	0	0	109.7	L374 F426 I430 L462 G478 A480	L374-L514 HydrophobicContact CD1-CD2 3.22Å; L374-L514 HydrophobicContact CD2-CD2 4.48Å; L374-L514 HydrophobicContact CG-CD2 4.47Å; F426-L514 HydrophobicContact CD1-CD1 3.55Å; F426-L514 HydrophobicContact CE1-CD1 3.65Å; I430-L514 HydrophobicContact CD1-CB 3.53Å; I430-L514 HydrophobicContact CG2-CD1 3.98Å; L462-L514 HydrophobicContact CD1-CD1 4.37Å; L462-L514 HydrophobicContact CD1-CD2 4.3Å; G478-L514 PolarHBondContact N-O 2.96Å; G478-L514 VanDerWaalsContact N-O 3.08Å; G478-L514 WeakPolarHBondContact O-CA 3.47Å; G478-L514 PolarHBondContact O-N 3.45Å; A480-L514 HydrophobicContact CB-CD1 4.01Å; A480-L514 HydrophobicContact CB-CG 4.28Å
515	S	88.2	Confident	73.8	Confident	49 Å²	49	85.3 Å²	85.3	34%	0.343	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	121.4	172.7	-69.4	0	0	0	0	109.2	Y476	Y476-S515 WeakPolarHBondContact O-CA 3.4Å
516	L	87.3	Confident	72.6	Confident	1 Å²	1	88.3 Å²	88.3	1%	0.005	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.5	173.1	-69.8	175.2	0	0	0	109.1	P381 I430 L462 C475 Y476 K518	P381-L516 WeakPolarHBondContact O-CD2 3.16Å; I430-L516 HydrophobicContact CD1-CB 4.39Å; I430-L516 HydrophobicContact CD1-CD1 4.16Å; I430-L516 HydrophobicContact CD1-CG 3.92Å; I430-L516 HydrophobicContact CG1-CD1 4.01Å; I430-L516 HydrophobicContact CG1-CG 4.32Å; I430-L516 HydrophobicContact CG2-CD1 3.96Å; L462-L516 HydrophobicContact CB-CD1 3.8Å; L462-L516 HydrophobicContact CB-CD2 4.07Å; L462-L516 HydrophobicContact CB-CG 4.4Å; L462-L516 HydrophobicContact CD1-CD2 3.96Å; L462-L516 HydrophobicContact CD1-CG 4.39Å; C475-L516 CarbonylContact C-O 3.54Å; C475-L516 WeakPolarHBondContact CA-O 3.35Å; C475-L516 WeakPolarHBondContact CB-O 3.48Å; Y476-L516 HydrophobicContact CD2-CB 4.4Å; Y476-L516 PolarHBondContact N-O 3.12Å; Y476-L516 PolarHBondContact O-N 3.03Å; L516-K518 PolarHBondContact O-N 3.07Å
517	P	86.6	Confident	71.5	Confident	70 Å²	70	90.4 Å²	90.4	46%	0.455	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	132.3	176.7	28.7	-31.9	0	0	0	109.5	P381	P381-P517 HydrophobicContact CB-CG 3.6Å; P381-P517 HydrophobicContact CG-CG 3.73Å
518	K	84.9	Confident	69.6	Low	47 Å²	47	87 Å²	87	20%	0.204	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-68.2	139.1	170	-64.5	-178.6	177	-173.9	0	107.6	G469 N470 S473 P474 Y476 L516 A520	G469-K518 WeakPolarHBondContact O-CE 3.47Å; G469-K518 PolarHBondContact O-NZ 2.83Å; N470-K518 PolarHBondContact O-NZ 3.38Å; S473-K518 WeakPolarHBondContact O-CD 3.33Å; S473-K518 WeakPolarHBondContact O-CE 3.37Å; S473-K518 PolarHBondContact O-NZ 3.37Å; P474-K518 WeakPolarHBondContact O-CB 3.47Å; P474-K518 WeakPolarHBondContact O-CG 3.16Å; P474-K518 PolarHBondContact O-N 2.84Å; Y476-K518 HydrophobicContact CD1-CD 4.38Å; Y476-K518 VanDerWaalsContact CD1-CE 3.44Å; Y476-K518 HydrophobicContact CD1-CG 4.16Å; Y476-K518 HydrophobicContact CD2-CG 3.97Å; Y476-K518 HydrophobicContact CE1-CD 4.09Å; Y476-K518 VanDerWaalsContact CE1-CE 3.42Å; Y476-K518 HydrophobicContact CE1-CG 4Å; Y476-K518 HydrophobicContact CE2-CB 4.43Å; Y476-K518 HydrophobicContact CE2-CG 3.76Å; Y476-K518 HydrophobicContact CG-CG 4.17Å; L516-K518 PolarHBondContact O-N 3.07Å; K518-A520 PolarHBondContact O-N 2.76Å; K518-A520 VanDerWaalsContact O-N 3.12Å
519	K	71.6	Confident	67.2	Low	179 Å²	179	89.9 Å²	89.9	78%	0.778	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-54.2	127	165.4	-68.5	-178.4	-178.3	175.4	0	106.5	R521	K519-R521 PolarHBondContact O-N 3.24Å
520	A	59.1	Low	64.8	Low	94 Å²	94	97.8 Å²	97.8	78%	0.777	52%	0.515	S	S	*	.			trans	-57.1	99.3	168.2	0	0	0	0	0	105.6	K518 V522	K518-A520 PolarHBondContact O-N 2.76Å; K518-A520 VanDerWaalsContact O-N 3.12Å; A520-V522 PolarHBondContact O-N 2.7Å
521	R	54.3	Low	62.2	Low	167 Å²	167	103.3 Å²	103.3	63%	0.63	55%	0.548	S	S	*	.			trans	-61.8	107.1	163.4	-71.3	-171.5	179.5	-171.1	1.8	101.9	K519 I523	K519-R521 PolarHBondContact O-N 3.24Å; R521-I523 HydrophobicContact CB-CG1 4.1Å; R521-I523 PolarHBondContact O-N 2.92Å
522	V	44.6	Very low	59.4	Low	112 Å²	112	105.7 Å²	105.7	68%	0.679	56%	0.558	S	S	*	*			trans	-58.8	87.7	150.4	-178	0	0	0	0	102.1	A520 H524	A520-V522 PolarHBondContact O-N 2.7Å; V522-H524 PolarHBondContact O-N 3.09Å
523	I	43.6	Very low	56.6	Low	126 Å²	126	112.8 Å²	112.8	65%	0.646	60%	0.595	S	S	*	*			trans	-63	91.8	156.5	-50.4	177.7	0	0	0	99.3	R521 R525	R521-I523 HydrophobicContact CB-CG1 4.1Å; R521-I523 PolarHBondContact O-N 2.92Å; I523-R525 HydrophobicContact CG2-CG 3.97Å; I523-R525 PolarHBondContact O-N 2.82Å
524	H	39.7	Very low	53.7	Low	162 Å²	162	112.3 Å²	112.3	75%	0.75	59%	0.594	S	S	*	*			trans	-52.4	88	139	-76.9	-82.1	0	0	0	101.4	V522 P526	V522-H524 PolarHBondContact O-N 3.09Å; H524-P526 WeakPolarHBondContact O-CD 3.15Å
525	R	37.1	Very low	51.2	Low	208 Å²	208	121.2 Å²	121.2	79%	0.785	64%	0.635	S	S	*	*			trans	-49.6	117	151.3	-80.1	-176.9	174.3	173.4	-1.7	99.1	I523 V527	I523-R525 HydrophobicContact CG2-CG 3.97Å; I523-R525 PolarHBondContact O-N 2.82Å; R525-V527 VanDerWaalsContact C-N 3.29Å; R525-V527 PolarHBondContact O-N 2.7Å
526	P	38	Very low	48.9	Very low	104 Å²	104	126.4 Å²	126.4	68%	0.675	65%	0.654	S	S	*	*			trans	-45.1	119.1	159.4	-15.1	27.2	0	0	0	101.9	H524 A528	H524-P526 WeakPolarHBondContact O-CD 3.15Å; P526-A528 VanDerWaalsContact C-N 3.26Å; P526-A528 WeakPolarHBondContact O-CA 3.17Å; P526-A528 PolarHBondContact O-N 2.99Å
527	V	43.4	Very low	46.9	Very low	123 Å²	123	129 Å²	129	75%	0.745	68%	0.676	S	S	*	*	S	Bend	trans	-37.6	110.1	168.7	165.2	0	0	0	0	102.9	R525 A529	R525-V527 VanDerWaalsContact C-N 3.29Å; R525-V527 PolarHBondContact O-N 2.7Å; V527-A529 PolarHBondContact O-N 2.71Å
528	A	42.5	Very low	45.2	Very low	76 Å²	76	132.9 Å²	132.9	63%	0.628	69%	0.688	S	S	*	*			trans	-37.1	119.2	-157.4	0	0	0	0	0	106.2	P526 R530	P526-A528 VanDerWaalsContact C-N 3.26Å; P526-A528 WeakPolarHBondContact O-CA 3.17Å; P526-A528 PolarHBondContact O-N 2.99Å; A528-R530 VanDerWaalsContact C-N 3.3Å; A528-R530 WeakPolarHBondContact O-CA 3.06Å; A528-R530 PolarHBondContact O-N 2.69Å
529	A	36.9	Very low	43.9	Very low	84 Å²	84	133.3 Å²	133.3	69%	0.694	70%	0.695	S	S	*	*			trans	-31.8	106.3	177.9	0	0	0	0	0	105.2	V527 V531	V527-A529 PolarHBondContact O-N 2.71Å; A529-V531 PolarHBondContact O-N 2.54Å
530	R	40.7	Very low	43.7	Very low	226 Å²	226	124.9 Å²	124.9	85%	0.853	66%	0.659	S	S	*	*			trans	-53.6	95.4	-156	-79.7	-179.5	176.7	176.2	-1.9	105.1	A528 K532	A528-R530 VanDerWaalsContact C-N 3.3Å; A528-R530 WeakPolarHBondContact O-CA 3.06Å; A528-R530 PolarHBondContact O-N 2.69Å; R530-K532 PolarHBondContact O-N 2.78Å
531	V	38.8	Very low	44.5	Very low	122 Å²	122	122.1 Å²	122.1	74%	0.739	63%	0.634	S	S	*	*			trans	-67.3	97.9	160.9	174.7	0	0	0	0	96.6	A529 I533	A529-V531 PolarHBondContact O-N 2.54Å; V531-I533 PolarHBondContact O-N 2.75Å
532	K	34.1	Very low	45.6	Very low	185 Å²	185	118.1 Å²	118.1	80%	0.804	63%	0.625	S	S	*	*			trans	-42.8	105.5	156.9	-80	179.5	173.2	-178	0	102	R530 S534	R530-K532 PolarHBondContact O-N 2.78Å; K532-S534 PolarHBondContact O-N 3.16Å
533	I	34.8	Very low	47.2	Very low	153 Å²	153	116.1 Å²	116.1	79%	0.785	62%	0.62	S	S	*	*			trans	-61.9	86.5	151.3	-61.9	166.3	0	0	0	100.2	V531 E535	V531-I533 PolarHBondContact O-N 2.75Å; I533-E535 VanDerWaalsContact C-N 3.31Å; I533-E535 PolarHBondContact O-N 2.88Å; I533-E535 VanDerWaalsContact O-N 3.16Å
534	S	30.9	Very low	49	Very low	67 Å²	67	110.4 Å²	110.4	47%	0.469	59%	0.591	S	S	.	*			trans	-53.5	115.7	150.5	-157	0	0	0	0	101	K532 E536	K532-S534 PolarHBondContact O-N 3.16Å; S534-E536 PolarHBondContact O-N 2.74Å; S534-E536 PolarHBondContact OG-OE1 2.7Å
535	E	38.7	Very low	51.1	Low	191 Å²	191	102.7 Å²	102.7	89%	0.893	56%	0.555	S	S	*	*			trans	-62	64	161.8	-76.6	178.4	135	0	0	107.7	I533	I533-E535 VanDerWaalsContact C-N 3.31Å; I533-E535 PolarHBondContact O-N 2.88Å; I533-E535 VanDerWaalsContact O-N 3.16Å
536	E	38.5	Very low	53.3	Low	157 Å²	157	97.3 Å²	97.3	73%	0.734	54%	0.541	S	S	*	.			trans	-91	106.1	165.1	-86.8	167.2	-141.8	0	0	104.6	S534 E538	S534-E536 PolarHBondContact O-N 2.74Å; S534-E536 PolarHBondContact OG-OE1 2.7Å; E536-E538 PolarHBondContact O-N 3.13Å
537	A	45.3	Very low	55.7	Low	57 Å²	57	94.6 Å²	94.6	47%	0.471	52%	0.518	S	S	.	.			trans	-30.6	120.1	-176.6	0	0	0	0	0	112.9	P539 K636	A537-P539 VanDerWaalsContact O-CD 3.22Å; A537-P539 WeakPolarHBondContact O-CD 3.35Å; A537-P539 VanDerWaalsContact O-N 3.11Å; A537-K636 HydrophobicContact CB-CD 4.4Å
538	E	51.6	Low	57.6	Low	151 Å²	151	88.8 Å²	88.8	71%	0.706	48%	0.482	S	S	*	.			trans	-54	118.9	167.4	-85.7	-167.3	142.9	0	0	108.8	E536 L540	E536-E538 PolarHBondContact O-N 3.13Å; E538-L540 PolarHBondContact O-N 3.34Å
539	P	58.3	Low	59.7	Low	55 Å²	55	85.5 Å²	85.5	36%	0.357	46%	0.455	S	S	.	.	S	Bend	trans	-65.8	135.2	171.5	4.1	3.9	0	0	0	109	A537 K605	A537-P539 VanDerWaalsContact O-CD 3.22Å; A537-P539 WeakPolarHBondContact O-CD 3.35Å; A537-P539 VanDerWaalsContact O-N 3.11Å; P539-K605 HydrophobicContact CB-CB 4.42Å; P539-K605 HydrophobicContact CB-CD 4.42Å; P539-K605 HydrophobicContact CG-CD 4.23Å
540	L	67.2	Low	61.9	Low	2 Å²	2	84 Å²	84	1%	0.01	45%	0.447	C	S	.	.	S	Bend	trans	66.5	86.4	-169.6	-57.5	169.1	0	0	0	115.6	E538 L544 W593 R594 K605 A606 L609 V625 E629	E538-L540 PolarHBondContact O-N 3.34Å; L540-L544 HydrophobicContact CD2-CD2 3.76Å; L540-W593 HydrophobicContact CD1-CZ3 3.87Å; L540-R594 WeakPolarHBondContact O-CD 3.45Å; L540-R594 PolarHBondContact O-NH1 2.67Å; L540-K605 HydrophobicContact CD1-CB 3.68Å; L540-K605 HydrophobicContact CG-CB 4.23Å; L540-A606 HydrophobicContact CD2-CB 3.64Å; L540-A606 HydrophobicContact CG-CB 4.34Å; L540-L609 HydrophobicContact CD1-CD2 4.26Å; L540-L609 HydrophobicContact CD2-CD2 4.12Å; L540-V625 HydrophobicContact CD2-CG1 4.46Å; L540-E629 PolarHBondContact N-OE1 3.37Å
541	S	75.4	Confident	63.9	Low	36 Å²	36	77.6 Å²	77.6	25%	0.252	43%	0.427	S	S	.	.			trans	-63.2	155	176.2	72.2	0	0	0	0	113.2	A543 L544 L545	S541-A543 PolarHBondContact O-N 2.69Å; S541-L544 PolarHBondContact O-N 2.99Å; S541-L544 PolarHBondContact OG-N 2.92Å; S541-L545 PolarHBondContact O-N 3.07Å
542	D	77.5	Confident	66.1	Low	83 Å²	83	72.3 Å²	72.3	44%	0.444	40%	0.395	S	S	.	.	H	α-helix	trans	-59.4	-34.2	174.3	-79	-10	0	0	0	112.4	L544 L545 L546 R594	D542-L544 PolarHBondContact O-N 2.68Å; D542-L545 PolarHBondContact O-N 3.4Å; D542-L546 WeakPolarHBondContact O-CB 3.38Å; D542-L546 VanDerWaalsContact O-CG 3.29Å; D542-L546 WeakPolarHBondContact O-CG 3.34Å; D542-L546 PolarHBondContact O-N 3.16Å; D542-R594 IonicContact OD1-CZ 3.89Å; D542-R594 IonicContact OD1-NH1 3.03Å; D542-R594 PolarHBondContact OD1-NH1 2.63Å; D542-R594 IonicContact OD1-NH2 3.66Å; D542-R594 PolarHBondContact OD1-NH2 2.79Å
543	A	78.6	Confident	68.4	Low	70 Å²	70	65.2 Å²	65.2	58%	0.579	37%	0.369	S	S	*	.	H	α-helix	trans	-63.1	-40.5	176.4	0	0	0	0	0	112.3	S541 L546 W547	S541-A543 PolarHBondContact O-N 2.69Å; A543-L546 PolarHBondContact O-N 3.03Å; A543-W547 PolarHBondContact O-N 3.23Å
544	L	81.3	Confident	70.5	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-68.5	-41.3	178.1	-176.3	65.1	0	0	0	111.8	L540 S541 D542 W547 L548 V625 R628 E629	L540-L544 HydrophobicContact CD2-CD2 3.76Å; S541-L544 PolarHBondContact O-N 2.99Å; S541-L544 PolarHBondContact OG-N 2.92Å; D542-L544 PolarHBondContact O-N 2.68Å; L544-W547 HydrophobicContact CD1-CE3 4.1Å; L544-W547 HydrophobicContact CD1-CZ3 4.49Å; L544-W547 PolarHBondContact O-N 3.09Å; L544-L548 WeakPolarHBondContact O-CB 3.23Å; L544-L548 PolarHBondContact O-N 3.39Å; L544-V625 HydrophobicContact CD2-CG1 4.33Å; L544-R628 HydrophobicContact CD1-CB 3.7Å; L544-E629 HydrophobicContact CD2-CB 4.41Å
545	L	84.4	Confident	72.9	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-69.3	-34.9	177.3	-66.4	-172	0	0	0	112.3	S541 D542 S549 F587 L590 R594 L609	S541-L545 PolarHBondContact O-N 3.07Å; D542-L545 PolarHBondContact O-N 3.4Å; L545-S549 VanDerWaalsContact O-CB 3.27Å; L545-S549 WeakPolarHBondContact O-CB 3.49Å; L545-S549 PolarHBondContact O-N 3.08Å; L545-S549 PolarHBondContact O-OG 3.27Å; L545-F587 HydrophobicContact CB-CD2 3.9Å; L545-F587 HydrophobicContact CB-CE2 3.72Å; L545-L590 HydrophobicContact CD1-CB 4.34Å; L545-L590 HydrophobicContact CD2-CB 4.16Å; L545-L590 HydrophobicContact CD2-CD1 4.47Å; L545-R594 HydrophobicContact CD1-CB 4.48Å; L545-L609 HydrophobicContact CD2-CD2 4.16Å
546	L	83.3	Confident	74.9	Confident	94 Å²	94	56.3 Å²	56.3	49%	0.492	32%	0.321	S	S	.	.	H	α-helix	trans	-65	-45.6	174.3	-79.1	168.8	0	0	0	111.2	D542 A543 S549 G550 F587	D542-L546 WeakPolarHBondContact O-CB 3.38Å; D542-L546 VanDerWaalsContact O-CG 3.29Å; D542-L546 WeakPolarHBondContact O-CG 3.34Å; D542-L546 PolarHBondContact O-N 3.16Å; A543-L546 PolarHBondContact O-N 3.03Å; L546-S549 PolarHBondContact O-N 3.46Å; L546-S549 PolarHBondContact O-OG 3.04Å; L546-G550 PolarHBondContact O-N 3.32Å; L546-F587 HydrophobicContact CB-CD2 4.33Å; L546-F587 HydrophobicContact CB-CE2 4.34Å; L546-F587 HydrophobicContact CD1-CE2 4.48Å; L546-F587 HydrophobicContact CD2-CB 4.41Å; L546-F587 HydrophobicContact CD2-CD1 4.01Å; L546-F587 HydrophobicContact CD2-CD2 3.53Å; L546-F587 HydrophobicContact CD2-CE1 4.12Å; L546-F587 HydrophobicContact CD2-CE2 3.67Å; L546-F587 HydrophobicContact CD2-CG 3.7Å; L546-F587 HydrophobicContact CD2-CZ 3.96Å; L546-F587 HydrophobicContact CG-CD2 3.71Å; L546-F587 HydrophobicContact CG-CE2 3.46Å; L546-F587 VanDerWaalsContact CG-CE2 3.46Å; L546-F587 HydrophobicContact CG-CG 4.39Å; L546-F587 HydrophobicContact CG-CZ 3.96Å
547	W	86.9	Confident	77	Confident	48 Å²	48	49 Å²	49	18%	0.182	29%	0.287	C	S	.	.	H	α-helix	trans	-58.9	-52	173.9	168.2	74.9	0	0	0	111.4	A543 L544 S549 G550 E551 L621 E624 V625	A543-W547 PolarHBondContact O-N 3.23Å; L544-W547 HydrophobicContact CD1-CE3 4.1Å; L544-W547 HydrophobicContact CD1-CZ3 4.49Å; L544-W547 PolarHBondContact O-N 3.09Å; W547-S549 PolarHBondContact O-N 3.23Å; W547-S549 VanDerWaalsContact O-N 3.16Å; W547-G550 PolarHBondContact O-N 3.04Å; W547-E551 HydrophobicContact CZ2-CG 4.03Å; W547-E551 PolarHBondContact O-N 3.26Å; W547-L621 HydrophobicContact CH2-CD2 3.92Å; W547-L621 HydrophobicContact CZ2-CD2 4.27Å; W547-E624 HydrophobicContact CH2-CB 3.95Å; W547-E624 HydrophobicContact CH2-CG 3.72Å; W547-E624 HydrophobicContact CZ2-CG 4.04Å; W547-V625 HydrophobicContact CZ3-CG2 3.92Å
548	L	84.8	Confident	78.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.6	-33.3	-179.4	-176.9	64.3	0	0	0	111.9	L544 G550 E551 L552 L590 L609 L613 L621 V625	L544-L548 WeakPolarHBondContact O-CB 3.23Å; L544-L548 PolarHBondContact O-N 3.39Å; L548-G550 VanDerWaalsContact C-N 3.26Å; L548-G550 PolarHBondContact O-N 3.45Å; L548-E551 PolarHBondContact O-N 2.91Å; L548-L552 HydrophobicContact CD1-CD1 4.43Å; L548-L552 HydrophobicContact CD1-CG 4.44Å; L548-L552 HydrophobicContact CG-CD1 3.98Å; L548-L552 HydrophobicContact CG-CG 4.44Å; L548-L552 WeakPolarHBondContact O-CG 3.29Å; L548-L552 PolarHBondContact O-N 3.29Å; L548-L590 HydrophobicContact CB-CD1 4.45Å; L548-L590 HydrophobicContact CD2-CD1 3.91Å; L548-L590 HydrophobicContact CG-CD1 4.18Å; L548-L609 HydrophobicContact CD2-CD1 4.46Å; L548-L609 HydrophobicContact CD2-CD2 3.8Å; L548-L609 HydrophobicContact CD2-CG 4.31Å; L548-L613 HydrophobicContact CD1-CD1 4.07Å; L548-L613 HydrophobicContact CD1-CD2 4.45Å; L548-L613 HydrophobicContact CD2-CD1 4.11Å; L548-L621 HydrophobicContact CD1-CB 4.26Å; L548-L621 HydrophobicContact CD1-CD1 4.12Å; L548-V625 HydrophobicContact CD1-CG2 4.03Å; L548-V625 HydrophobicContact CD2-CG2 4.17Å
549	S	85.9	Confident	80.2	Confident	7 Å²	7	45.8 Å²	45.8	5%	0.049	27%	0.269	C	S	.	.	H	α-helix	trans	-68.9	-22.6	176.7	78.4	0	0	0	0	114.2	L545 L546 W547 S583	L545-S549 VanDerWaalsContact O-CB 3.27Å; L545-S549 WeakPolarHBondContact O-CB 3.49Å; L545-S549 PolarHBondContact O-N 3.08Å; L545-S549 PolarHBondContact O-OG 3.27Å; L546-S549 PolarHBondContact O-N 3.46Å; L546-S549 PolarHBondContact O-OG 3.04Å; W547-S549 PolarHBondContact O-N 3.23Å; W547-S549 VanDerWaalsContact O-N 3.16Å; S549-S583 VanDerWaalsContact CB-O 3.28Å; S549-S583 WeakPolarHBondContact CB-O 3.45Å; S549-S583 VanDerWaalsContact O-CA 3.26Å; S549-S583 WeakPolarHBondContact O-CA 3.45Å; S549-S583 VanDerWaalsContact O-CB 3.29Å; S549-S583 WeakPolarHBondContact O-CB 3.25Å; S549-S583 PolarHBondContact OG-O 3.15Å
550	G	82.2	Confident	81.3	Confident	52 Å²	52	43.2 Å²	43.2	54%	0.536	25%	0.253	S	S	.	.	H	α-helix	trans	-77	-25.9	173.3	0	0	0	0	0	113.5	L546 W547 L548	L546-G550 PolarHBondContact O-N 3.32Å; W547-G550 PolarHBondContact O-N 3.04Å; L548-G550 VanDerWaalsContact C-N 3.26Å; L548-G550 PolarHBondContact O-N 3.45Å
551	E	83.8	Confident	82.1	Confident	93 Å²	93	43.6 Å²	43.6	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-93.6	-10	-175.5	-61.4	-59.5	149.2	0	0	114	W547 L548 L621	W547-E551 HydrophobicContact CZ2-CG 4.03Å; W547-E551 PolarHBondContact O-N 3.26Å; L548-E551 PolarHBondContact O-N 2.91Å; E551-L621 HydrophobicContact CB-CD1 4.15Å; E551-L621 HydrophobicContact CB-CD2 3.94Å; E551-L621 HydrophobicContact CG-CD2 4.26Å
552	L	84.5	Confident	82.3	Confident	10 Å²	10	45.8 Å²	45.8	5%	0.052	27%	0.27	C	S	.	.			trans	-96.8	128	-177.3	-72.1	170.5	0	0	0	111.8	L548 E556 L560 L590 L613 I616 L621	L548-L552 HydrophobicContact CD1-CD1 4.43Å; L548-L552 HydrophobicContact CD1-CG 4.44Å; L548-L552 HydrophobicContact CG-CD1 3.98Å; L548-L552 HydrophobicContact CG-CG 4.44Å; L548-L552 WeakPolarHBondContact O-CG 3.29Å; L548-L552 PolarHBondContact O-N 3.29Å; L552-E556 HydrophobicContact CD2-CB 4.25Å; L552-L560 HydrophobicContact CD1-CD2 3.7Å; L552-L590 HydrophobicContact CD1-CD1 4.18Å; L552-L613 HydrophobicContact CD2-CD2 4.13Å; L552-I616 HydrophobicContact CD2-CD1 4.35Å; L552-L621 HydrophobicContact CD2-CD1 4.14Å
553	S	82.9	Confident	82.4	Confident	37 Å²	37	42.8 Å²	42.8	26%	0.259	26%	0.256	S	S	.	.			trans	-70.6	160.9	170.6	105.6	0	0	0	0	111.8	E555 E556 T557	S553-E555 VanDerWaalsContact C-N 3.27Å; S553-E555 PolarHBondContact O-N 2.97Å; S553-E555 PolarHBondContact OG-N 3Å; S553-E555 PolarHBondContact OG-OE2 3.31Å; S553-E556 PolarHBondContact N-OE2 3.2Å; S553-E556 PolarHBondContact O-N 3.09Å; S553-E556 WeakPolarHBondContact OG-CG 3.22Å; S553-E556 PolarHBondContact OG-N 3.1Å; S553-E556 VanDerWaalsContact OG-N 3.15Å; S553-T557 WeakPolarHBondContact O-CB 3.49Å; S553-T557 PolarHBondContact O-N 3.09Å; S553-T557 PolarHBondContact O-OG1 3.26Å
554	P	78.8	Confident	82.5	Confident	55 Å²	55	40.2 Å²	40.2	36%	0.357	23%	0.232	S	C	.	.	H	α-helix	trans	-59.1	-35.1	174.1	-21.5	31.4	0	0	0	114	S558 P582	P554-S558 PolarHBondContact O-N 3.23Å; P554-S558 PolarHBondContact O-OG 3.5Å; P554-P582 HydrophobicContact CG-CB 3.78Å
555	E	80.2	Confident	82.2	Confident	127 Å²	127	51 Å²	51	59%	0.593	27%	0.272	S	S	*	.	H	α-helix	trans	-70.9	-47.8	177.3	-60.1	71.4	-150.5	0	0	110.2	S553 T557 S558 L559	S553-E555 VanDerWaalsContact C-N 3.27Å; S553-E555 PolarHBondContact O-N 2.97Å; S553-E555 PolarHBondContact OG-N 3Å; S553-E555 PolarHBondContact OG-OE2 3.31Å; E555-T557 VanDerWaalsContact C-N 3.32Å; E555-T557 PolarHBondContact O-N 3.07Å; E555-S558 WeakPolarHBondContact O-CB 3.44Å; E555-S558 PolarHBondContact O-N 3.2Å; E555-L559 PolarHBondContact O-N 3.12Å
556	E	81.9	Confident	81.8	Confident	41 Å²	41	52.2 Å²	52.2	19%	0.192	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-40.8	176.3	-67.1	176.6	141.3	0	0	111.5	L552 S553 S558 L559 L560 R618	L552-E556 HydrophobicContact CD2-CB 4.25Å; S553-E556 PolarHBondContact N-OE2 3.2Å; S553-E556 PolarHBondContact O-N 3.09Å; S553-E556 WeakPolarHBondContact OG-CG 3.22Å; S553-E556 PolarHBondContact OG-N 3.1Å; S553-E556 VanDerWaalsContact OG-N 3.15Å; E556-S558 VanDerWaalsContact C-N 3.26Å; E556-S558 PolarHBondContact O-N 3.14Å; E556-L559 PolarHBondContact O-N 3.32Å; E556-L560 VanDerWaalsContact O-CB 3.28Å; E556-L560 WeakPolarHBondContact O-CB 3.4Å; E556-L560 PolarHBondContact O-N 3.1Å; E556-R618 WeakPolarHBondContact OE1-CD 3.25Å; E556-R618 WeakPolarHBondContact OE1-CG 3.45Å; E556-R618 IonicContact OE1-CZ 3.71Å; E556-R618 IonicContact OE1-NE 3.5Å; E556-R618 IonicContact OE1-NH1 3.83Å; E556-R618 PolarHBondContact OE1-NH1 3Å; E556-R618 IonicContact OE2-NH1 3.82Å; E556-R618 PolarHBondContact OE2-NH1 3.4Å
557	T	82.2	Confident	81.4	Confident	4 Å²	4	50.9 Å²	50.9	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-36.8	174.7	-59.3	0	0	0	0	111.6	S553 E555 L560 V561 A586	S553-T557 WeakPolarHBondContact O-CB 3.49Å; S553-T557 PolarHBondContact O-N 3.09Å; S553-T557 PolarHBondContact O-OG1 3.26Å; E555-T557 VanDerWaalsContact C-N 3.32Å; E555-T557 PolarHBondContact O-N 3.07Å; T557-L560 PolarHBondContact O-N 2.84Å; T557-V561 VanDerWaalsContact O-CG2 3.25Å; T557-V561 WeakPolarHBondContact O-CG2 3.36Å; T557-V561 PolarHBondContact O-N 3.18Å; T557-A586 HydrophobicContact CG2-CB 3.97Å
558	S	81.5	Confident	80.6	Confident	40 Å²	40	58.9 Å²	58.9	28%	0.28	31%	0.308	S	S	.	.	H	α-helix	trans	-73.4	-35.4	179.4	-58	0	0	0	0	112.1	P554 E555 E556 S562 K575	P554-S558 PolarHBondContact O-N 3.23Å; P554-S558 PolarHBondContact O-OG 3.5Å; E555-S558 WeakPolarHBondContact O-CB 3.44Å; E555-S558 PolarHBondContact O-N 3.2Å; E556-S558 VanDerWaalsContact C-N 3.26Å; E556-S558 PolarHBondContact O-N 3.14Å; S558-S562 PolarHBondContact O-N 3.04Å; S558-S562 PolarHBondContact O-OG 3.31Å; S558-K575 PolarHBondContact OG-NZ 3.12Å
559	L	81.8	Confident	80	Confident	100 Å²	100	62.8 Å²	62.8	52%	0.524	34%	0.335	S	S	.	.	H	α-helix	trans	-67.6	-39.1	170.7	-66.8	173.5	0	0	0	111.2	E555 E556 S562 S563 I616	E555-L559 PolarHBondContact O-N 3.12Å; E556-L559 PolarHBondContact O-N 3.32Å; L559-S562 WeakPolarHBondContact O-CB 3.29Å; L559-S562 PolarHBondContact O-N 3Å; L559-S562 VanDerWaalsContact O-N 3.15Å; L559-S563 PolarHBondContact O-N 3.48Å; L559-I616 HydrophobicContact CB-CB 4.36Å; L559-I616 HydrophobicContact CB-CG2 3.88Å
560	L	82.9	Confident	79.1	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-66.3	-40.2	178.1	-169.2	60.3	0	0	0	112.2	L552 E556 T557 S562 S563 L564 L590 L613 I616	L552-L560 HydrophobicContact CD1-CD2 3.7Å; E556-L560 VanDerWaalsContact O-CB 3.28Å; E556-L560 WeakPolarHBondContact O-CB 3.4Å; E556-L560 PolarHBondContact O-N 3.1Å; T557-L560 PolarHBondContact O-N 2.84Å; L560-S562 PolarHBondContact O-N 3.4Å; L560-S563 WeakPolarHBondContact CA-OG 3.49Å; L560-S563 PolarHBondContact O-N 3.48Å; L560-S563 PolarHBondContact O-OG 2.92Å; L560-S563 VanDerWaalsContact O-OG 3.12Å; L560-L564 HydrophobicContact CD1-CD1 4.04Å; L560-L564 HydrophobicContact CD1-CG 4.02Å; L560-L564 HydrophobicContact CD2-CD1 4.4Å; L560-L564 HydrophobicContact CG-CD1 3.75Å; L560-L564 HydrophobicContact CG-CG 4.15Å; L560-L564 VanDerWaalsContact O-CB 3.27Å; L560-L564 WeakPolarHBondContact O-CB 3.03Å; L560-L564 VanDerWaalsContact O-CG 3.23Å; L560-L564 WeakPolarHBondContact O-CG 3.3Å; L560-L564 PolarHBondContact O-N 3.19Å; L560-L590 HydrophobicContact CD2-CD2 3.88Å; L560-L613 HydrophobicContact CD1-CD2 4.04Å; L560-L613 HydrophobicContact CD1-CG 4.48Å; L560-L613 HydrophobicContact CD2-CD2 4.05Å; L560-I616 HydrophobicContact CB-CD1 4.19Å; L560-I616 HydrophobicContact CD1-CD1 4.11Å
561	V	82.6	Confident	78.5	Confident	10 Å²	10	61.9 Å²	61.9	6%	0.061	32%	0.323	C	S	.	.	H	α-helix	trans	-54.3	-40.7	171.1	165.6	0	0	0	0	111.3	T557 R565 L566 A571 V589	T557-V561 VanDerWaalsContact O-CG2 3.25Å; T557-V561 WeakPolarHBondContact O-CG2 3.36Å; T557-V561 PolarHBondContact O-N 3.18Å; V561-R565 PolarHBondContact O-N 3.17Å; V561-L566 HydrophobicContact CG1-CB 4.12Å; V561-L566 PolarHBondContact O-N 2.82Å; V561-L566 VanDerWaalsContact O-N 3.12Å; V561-A571 HydrophobicContact CG1-CB 3.67Å; V561-A571 HydrophobicContact CG2-CB 4.14Å; V561-V589 HydrophobicContact CG2-CG1 3.46Å; V561-V589 VanDerWaalsContact CG2-CG1 3.46Å; V561-V589 HydrophobicContact CG2-CG2 4.36Å
562	S	80.6	Confident	78	Confident	82 Å²	82	66.4 Å²	66.4	57%	0.573	34%	0.336	S	S	*	.	H	α-helix	trans	-73.1	-39.9	-179.7	-54.9	0	0	0	0	111.6	S558 L559 L560 R565	S558-S562 PolarHBondContact O-N 3.04Å; S558-S562 PolarHBondContact O-OG 3.31Å; L559-S562 WeakPolarHBondContact O-CB 3.29Å; L559-S562 PolarHBondContact O-N 3Å; L559-S562 VanDerWaalsContact O-N 3.15Å; L560-S562 PolarHBondContact O-N 3.4Å; S562-R565 PolarHBondContact O-N 3.33Å
563	S	80.1	Confident	77.5	Confident	20 Å²	20	69.8 Å²	69.8	14%	0.14	35%	0.354	C	S	.	.	H	α-helix	trans	-74.4	-28.4	179.9	74.2	0	0	0	0	113.6	L559 L560 R565 R615	L559-S563 PolarHBondContact O-N 3.48Å; L560-S563 WeakPolarHBondContact CA-OG 3.49Å; L560-S563 PolarHBondContact O-N 3.48Å; L560-S563 PolarHBondContact O-OG 2.92Å; L560-S563 VanDerWaalsContact O-OG 3.12Å; S563-R565 VanDerWaalsContact C-N 3.3Å; S563-R615 PolarHBondContact O-NH1 3.48Å; S563-R615 VanDerWaalsContact O-NH1 3.08Å
564	L	79.9	Confident	77	Confident	15 Å²	15	68.6 Å²	68.6	8%	0.079	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	0.5	173.7	-65.2	177.6	0	0	0	113.7	L560 L566 L590 W593 L609 S612	L560-L564 HydrophobicContact CD1-CD1 4.04Å; L560-L564 HydrophobicContact CD1-CG 4.02Å; L560-L564 HydrophobicContact CD2-CD1 4.4Å; L560-L564 HydrophobicContact CG-CD1 3.75Å; L560-L564 HydrophobicContact CG-CG 4.15Å; L560-L564 VanDerWaalsContact O-CB 3.27Å; L560-L564 WeakPolarHBondContact O-CB 3.03Å; L560-L564 VanDerWaalsContact O-CG 3.23Å; L560-L564 WeakPolarHBondContact O-CG 3.3Å; L560-L564 PolarHBondContact O-N 3.19Å; L564-L566 VanDerWaalsContact C-N 3.27Å; L564-L566 HydrophobicContact CB-CD1 4.33Å; L564-L566 HydrophobicContact CB-CG 4.23Å; L564-L566 PolarHBondContact O-N 3.46Å; L564-L590 HydrophobicContact CD1-CD2 4.25Å; L564-W593 HydrophobicContact CB-CG 4.35Å; L564-W593 HydrophobicContact CD1-CB 4.46Å; L564-W593 HydrophobicContact CD1-CD2 4.09Å; L564-W593 HydrophobicContact CD1-CG 4.01Å; L564-W593 HydrophobicContact CD2-CD2 4.14Å; L564-W593 HydrophobicContact CD2-CH2 4.4Å; L564-W593 HydrophobicContact CD2-CZ2 3.78Å; L564-L609 HydrophobicContact CD1-CD1 4.35Å; L564-L609 HydrophobicContact CD2-CD1 4.33Å; L564-S612 WeakPolarHBondContact CD2-OG 3.43Å
565	R	74.6	Confident	76.6	Confident	232 Å²	232	70 Å²	70	88%	0.875	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	36.2	179.2	-57.3	-174.2	177.3	-153.3	0.1	114	V561 S562 S563	V561-R565 PolarHBondContact O-N 3.17Å; S562-R565 PolarHBondContact O-N 3.33Å; S563-R565 VanDerWaalsContact C-N 3.3Å
566	L	77.3	Confident	76.1	Confident	27 Å²	27	70.2 Å²	70.2	14%	0.141	35%	0.35	C	S	.	.			trans	-77.3	148.6	176.1	-68.7	169.8	0	0	0	111.4	V561 L564 R568 V589 W593	V561-L566 HydrophobicContact CG1-CB 4.12Å; V561-L566 PolarHBondContact O-N 2.82Å; V561-L566 VanDerWaalsContact O-N 3.12Å; L564-L566 VanDerWaalsContact C-N 3.27Å; L564-L566 HydrophobicContact CB-CD1 4.33Å; L564-L566 HydrophobicContact CB-CG 4.23Å; L564-L566 PolarHBondContact O-N 3.46Å; L566-R568 PolarHBondContact O-N 3.18Å; L566-V589 HydrophobicContact CD1-CG1 3.8Å; L566-W593 HydrophobicContact CD1-CB 3.84Å; L566-W593 HydrophobicContact CD1-CG 4.43Å; L566-W593 HydrophobicContact CD2-CB 3.83Å; L566-W593 HydrophobicContact CD2-CG 4.21Å; L566-W593 HydrophobicContact CG-CB 4.25Å
567	S	74.8	Confident	75.5	Confident	67 Å²	67	77.3 Å²	77.3	47%	0.469	38%	0.375	S	S	.	.			trans	-62.6	123.9	177.3	178	0	0	0	0	111.2	S569 A570 A571	S567-S569 PolarHBondContact O-N 2.9Å; S567-S569 PolarHBondContact OG-OG 3.03Å; S567-A570 PolarHBondContact O-N 3.4Å; S567-A570 VanDerWaalsContact O-N 3.07Å; S567-A571 PolarHBondContact O-N 2.99Å; S567-A571 VanDerWaalsContact O-N 3.07Å
568	R	68.4	Low	74.6	Confident	215 Å²	215	77.6 Å²	77.6	81%	0.811	38%	0.377	S	S	*	.	H	α-helix	trans	-57.4	-32.4	179.6	-76.1	-171.6	-94.4	-172.6	-6.1	112.8	L566 R572	L566-R568 PolarHBondContact O-N 3.18Å; R568-R572 WeakPolarHBondContact O-CB 3.34Å; R568-R572 PolarHBondContact O-N 3.31Å; R568-R572 VanDerWaalsContact O-N 3.09Å
569	S	73	Confident	73.6	Confident	83 Å²	83	86 Å²	86	58%	0.58	40%	0.403	S	S	*	.	H	α-helix	trans	-70.6	-39.4	177.3	52.7	0	0	0	0	112.2	S567 L573	S567-S569 PolarHBondContact O-N 2.9Å; S567-S569 PolarHBondContact OG-OG 3.03Å; S569-L573 PolarHBondContact O-N 3.11Å; S569-L573 VanDerWaalsContact O-N 3.13Å
570	A	67.7	Low	72.7	Confident	30 Å²	30	88.9 Å²	88.9	25%	0.248	42%	0.419	C	S	.	.	H	α-helix	trans	-68.8	-42.1	177.3	0	0	0	0	0	111.8	S567 R572 L573 V574 M592	S567-A570 PolarHBondContact O-N 3.4Å; S567-A570 VanDerWaalsContact O-N 3.07Å; A570-R572 PolarHBondContact O-N 3.39Å; A570-L573 WeakPolarHBondContact O-CB 3.23Å; A570-L573 PolarHBondContact O-N 3.49Å; A570-V574 PolarHBondContact O-N 3.19Å; A570-V574 VanDerWaalsContact O-N 3.1Å; A570-M592 HydrophobicContact CB-CE 4.41Å; A570-M592 HydrophobicContact CB-SD 3.77Å
571	A	68.8	Low	72.4	Confident	10 Å²	10	90.3 Å²	90.3	8%	0.083	43%	0.429	C	S	.	.	H	α-helix	trans	-63.2	-41.4	175.5	0	0	0	0	0	112.3	V561 S567 L573 V574 K575	V561-A571 HydrophobicContact CG1-CB 3.67Å; V561-A571 HydrophobicContact CG2-CB 4.14Å; S567-A571 PolarHBondContact O-N 2.99Å; S567-A571 VanDerWaalsContact O-N 3.07Å; A571-L573 VanDerWaalsContact C-N 3.28Å; A571-L573 PolarHBondContact O-N 2.86Å; A571-V574 PolarHBondContact O-N 3.45Å; A571-K575 WeakPolarHBondContact O-CG 3.5Å; A571-K575 PolarHBondContact O-N 3.12Å; A571-K575 VanDerWaalsContact O-N 3.09Å
572	R	73.3	Confident	72.1	Confident	188 Å²	188	93.2 Å²	93.2	71%	0.709	45%	0.448	S	S	*	.	H	α-helix	trans	-62.5	-35.8	175.2	-168.3	175.6	-176.4	174.2	1.2	112.1	R568 A570 K575 L576	R568-R572 WeakPolarHBondContact O-CB 3.34Å; R568-R572 PolarHBondContact O-N 3.31Å; R568-R572 VanDerWaalsContact O-N 3.09Å; A570-R572 PolarHBondContact O-N 3.39Å; R572-K575 PolarHBondContact O-N 3.39Å; R572-L576 HydrophobicContact CG-CD1 4.33Å; R572-L576 WeakPolarHBondContact O-CD1 3.35Å; R572-L576 PolarHBondContact O-N 3.2Å
573	L	74.2	Confident	72	Confident	81 Å²	81	91.7 Å²	91.7	42%	0.424	44%	0.437	S	S	.	.	H	α-helix	trans	-67.1	-35.6	176.1	-129.2	158.1	0	0	0	112.1	S569 A570 A571 L576 R577	S569-L573 PolarHBondContact O-N 3.11Å; S569-L573 VanDerWaalsContact O-N 3.13Å; A570-L573 WeakPolarHBondContact O-CB 3.23Å; A570-L573 PolarHBondContact O-N 3.49Å; A571-L573 VanDerWaalsContact C-N 3.28Å; A571-L573 PolarHBondContact O-N 2.86Å; L573-L576 PolarHBondContact O-N 2.88Å; L573-R577 HydrophobicContact CD2-CG 4.38Å; L573-R577 VanDerWaalsContact CD2-CZ 3.49Å; L573-R577 WeakPolarHBondContact O-CG 3.27Å; L573-R577 PolarHBondContact O-N 2.94Å
574	V	72.3	Confident	71.9	Confident	12 Å²	12	94.8 Å²	94.8	7%	0.073	45%	0.449	C	S	.	.	H	α-helix	trans	-65.2	-45.8	171.4	179	0	0	0	0	110.5	A570 A571 L576 R577 S578 Q585 R588 V589 M592	A570-V574 PolarHBondContact O-N 3.19Å; A570-V574 VanDerWaalsContact O-N 3.1Å; A571-V574 PolarHBondContact O-N 3.45Å; V574-L576 VanDerWaalsContact C-N 3.26Å; V574-L576 PolarHBondContact O-N 3.26Å; V574-R577 PolarHBondContact O-N 3.3Å; V574-S578 PolarHBondContact O-N 3.34Å; V574-S578 VanDerWaalsContact O-N 3.16Å; V574-S578 PolarHBondContact O-OG 3.21Å; V574-S578 VanDerWaalsContact O-OG 3.04Å; V574-Q585 HydrophobicContact CG1-CG 4.06Å; V574-R588 HydrophobicContact CG1-CB 3.61Å; V574-V589 HydrophobicContact CB-CG2 4.33Å; V574-V589 HydrophobicContact CG1-CG2 4.09Å; V574-M592 HydrophobicContact CG2-CE 3.34Å
575	K	70.9	Confident	71.9	Confident	85 Å²	85	95.2 Å²	95.2	37%	0.37	45%	0.451	S	S	.	.	H	α-helix	trans	-57.2	-38.2	175.9	-53.5	-151	177.7	-177.1	0	112.9	S558 A571 R572 R577 Q585	S558-K575 PolarHBondContact OG-NZ 3.12Å; A571-K575 WeakPolarHBondContact O-CG 3.5Å; A571-K575 PolarHBondContact O-N 3.12Å; A571-K575 VanDerWaalsContact O-N 3.09Å; R572-K575 PolarHBondContact O-N 3.39Å; K575-R577 VanDerWaalsContact C-N 3.33Å; K575-Q585 HydrophobicContact CG-CG 4.31Å
576	L	70	Confident	72.3	Confident	130 Å²	130	84.2 Å²	84.2	68%	0.681	41%	0.41	S	S	*	.	H	α-helix	trans	-69.7	-27	177.4	-86.1	150.3	0	0	0	113.6	R572 L573 V574	R572-L576 HydrophobicContact CG-CD1 4.33Å; R572-L576 WeakPolarHBondContact O-CD1 3.35Å; R572-L576 PolarHBondContact O-N 3.2Å; L573-L576 PolarHBondContact O-N 2.88Å; V574-L576 VanDerWaalsContact C-N 3.26Å; V574-L576 PolarHBondContact O-N 3.26Å
577	R	68.9	Low	72.6	Confident	191 Å²	191	84.8 Å²	84.8	72%	0.721	41%	0.411	S	S	*	.	H	α-helix	trans	-93.5	-17.1	-175.4	-75.6	179.7	175.4	171.4	0.5	114.4	L573 V574 K575	L573-R577 HydrophobicContact CD2-CG 4.38Å; L573-R577 VanDerWaalsContact CD2-CZ 3.49Å; L573-R577 WeakPolarHBondContact O-CG 3.27Å; L573-R577 PolarHBondContact O-N 2.94Å; V574-R577 PolarHBondContact O-N 3.3Å; K575-R577 VanDerWaalsContact C-N 3.33Å
578	S	63.3	Low	72.9	Confident	9 Å²	9	86.2 Å²	86.2	6%	0.063	41%	0.406	C	S	.	.			trans	-137	74.1	179.5	49.2	0	0	0	0	108.7	V574	V574-S578 PolarHBondContact O-N 3.34Å; V574-S578 VanDerWaalsContact O-N 3.16Å; V574-S578 PolarHBondContact O-OG 3.21Å; V574-S578 VanDerWaalsContact O-OG 3.04Å
579	R	60.6	Low	73.6	Confident	217 Å²	217	76.3 Å²	76.3	82%	0.819	37%	0.369	S	S	*	.			trans	-80.7	-19.6	-172.1	-161.5	173.5	176.7	173.9	-3.3	113.2
580	D	61.7	Low	74.1	Confident	161 Å²	161	72.4 Å²	72.4	86%	0.861	34%	0.342	S	S	*	.	S	Bend	trans	-105.8	-2.6	-165	-55.5	-38.1	0	0	0	114.4
581	S	76.7	Confident	74.8	Confident	32 Å²	32	71.7 Å²	71.7	22%	0.224	34%	0.336	C	S	.	.			trans	-145.7	118.4	176.3	60.4	0	0	0	0	112.3	S583 E584 Q585	S581-S583 PolarHBondContact O-N 3.38Å; S581-E584 WeakPolarHBondContact OG-CB 3.39Å; S581-E584 PolarHBondContact OG-OE2 3.05Å; S581-E584 VanDerWaalsContact OG-OE2 3.1Å; S581-Q585 PolarHBondContact O-N 3.08Å
582	P	76.8	Confident	75.3	Confident	70 Å²	70	74.5 Å²	74.5	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-70.1	-32.7	-177	27	-33.6	0	0	0	112.8	P554 Q585 A586	P554-P582 HydrophobicContact CG-CB 3.78Å; P582-Q585 WeakPolarHBondContact O-CB 3.39Å; P582-Q585 PolarHBondContact O-N 3.49Å; P582-A586 PolarHBondContact O-N 2.65Å
583	S	77.7	Confident	75.8	Confident	51 Å²	51	66 Å²	66	36%	0.357	32%	0.316	S	S	.	.	H	α-helix	trans	-68.1	-41.3	178	51.7	0	0	0	0	112.3	S549 S581 Q585 A586 F587	S549-S583 VanDerWaalsContact CB-O 3.28Å; S549-S583 WeakPolarHBondContact CB-O 3.45Å; S549-S583 VanDerWaalsContact O-CA 3.26Å; S549-S583 WeakPolarHBondContact O-CA 3.45Å; S549-S583 VanDerWaalsContact O-CB 3.29Å; S549-S583 WeakPolarHBondContact O-CB 3.25Å; S549-S583 PolarHBondContact OG-O 3.15Å; S581-S583 PolarHBondContact O-N 3.38Å; S583-Q585 VanDerWaalsContact C-N 3.29Å; S583-Q585 PolarHBondContact O-N 3.31Å; S583-A586 PolarHBondContact O-N 3.49Å; S583-F587 PolarHBondContact O-N 3.3Å
584	E	78.8	Confident	76.2	Confident	84 Å²	84	63.6 Å²	63.6	39%	0.393	30%	0.302	S	S	.	.	H	α-helix	trans	-67.4	-33.9	176.7	-161.6	178.9	164.3	0	0	111.9	S581 F587 R588	S581-E584 WeakPolarHBondContact OG-CB 3.39Å; S581-E584 PolarHBondContact OG-OE2 3.05Å; S581-E584 VanDerWaalsContact OG-OE2 3.1Å; E584-F587 PolarHBondContact O-N 3.15Å; E584-R588 WeakPolarHBondContact O-CB 3.42Å; E584-R588 VanDerWaalsContact O-CG 3.29Å; E584-R588 WeakPolarHBondContact O-CG 3.42Å; E584-R588 PolarHBondContact O-N 2.94Å; E584-R588 IonicContact OE1-CZ 3.88Å; E584-R588 IonicContact OE1-NE 2.6Å; E584-R588 PolarHBondContact OE1-NE 3.04Å; E584-R588 IonicContact OE1-NH2 3.18Å; E584-R588 PolarHBondContact OE1-NH2 3.44Å
585	Q	80.4	Confident	76.3	Confident	25 Å²	25	73.2 Å²	73.2	12%	0.117	34%	0.337	C	S	.	.	H	α-helix	trans	-63.4	-44.5	172.5	-164	-163.6	-78.9	0	0	111	V574 K575 S581 P582 S583 R588 V589	V574-Q585 HydrophobicContact CG1-CG 4.06Å; K575-Q585 HydrophobicContact CG-CG 4.31Å; S581-Q585 PolarHBondContact O-N 3.08Å; P582-Q585 WeakPolarHBondContact O-CB 3.39Å; P582-Q585 PolarHBondContact O-N 3.49Å; S583-Q585 VanDerWaalsContact C-N 3.29Å; S583-Q585 PolarHBondContact O-N 3.31Å; Q585-R588 PolarHBondContact O-N 3.35Å; Q585-V589 VanDerWaalsContact O-CG2 3.3Å; Q585-V589 WeakPolarHBondContact O-CG2 3.29Å; Q585-V589 PolarHBondContact O-N 3.3Å; Q585-V589 VanDerWaalsContact O-N 3.11Å
586	A	82.5	Confident	76.3	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.008	35%	0.348	C	S	.	.	H	α-helix	trans	-62.7	-43.7	176.4	0	0	0	0	0	111.7	T557 P582 S583 R588 V589 L590	T557-A586 HydrophobicContact CG2-CB 3.97Å; P582-A586 PolarHBondContact O-N 2.65Å; S583-A586 PolarHBondContact O-N 3.49Å; A586-R588 PolarHBondContact O-N 3.04Å; A586-V589 PolarHBondContact O-N 3.42Å; A586-L590 WeakPolarHBondContact O-CG 3.27Å; A586-L590 PolarHBondContact O-N 3.15Å
587	F	84.4	Confident	76.4	Confident	39 Å²	39	68 Å²	68	17%	0.171	32%	0.324	C	S	.	.	H	α-helix	trans	-59.7	-49	176.5	178.2	-108.1	0	0	0	112.1	L545 L546 S583 E584 V589 L590 A591	L545-F587 HydrophobicContact CB-CD2 3.9Å; L545-F587 HydrophobicContact CB-CE2 3.72Å; L546-F587 HydrophobicContact CB-CD2 4.33Å; L546-F587 HydrophobicContact CB-CE2 4.34Å; L546-F587 HydrophobicContact CD1-CE2 4.48Å; L546-F587 HydrophobicContact CD2-CB 4.41Å; L546-F587 HydrophobicContact CD2-CD1 4.01Å; L546-F587 HydrophobicContact CD2-CD2 3.53Å; L546-F587 HydrophobicContact CD2-CE1 4.12Å; L546-F587 HydrophobicContact CD2-CE2 3.67Å; L546-F587 HydrophobicContact CD2-CG 3.7Å; L546-F587 HydrophobicContact CD2-CZ 3.96Å; L546-F587 HydrophobicContact CG-CD2 3.71Å; L546-F587 HydrophobicContact CG-CE2 3.46Å; L546-F587 VanDerWaalsContact CG-CE2 3.46Å; L546-F587 HydrophobicContact CG-CG 4.39Å; L546-F587 HydrophobicContact CG-CZ 3.96Å; S583-F587 PolarHBondContact O-N 3.3Å; E584-F587 PolarHBondContact O-N 3.15Å; F587-V589 VanDerWaalsContact C-N 3.27Å; F587-V589 PolarHBondContact O-N 2.94Å; F587-L590 PolarHBondContact O-N 3.07Å; F587-A591 WeakPolarHBondContact O-CB 3.42Å; F587-A591 PolarHBondContact O-N 3.36Å
588	R	80.8	Confident	76	Confident	97 Å²	97	63 Å²	63	37%	0.366	32%	0.316	S	S	.	.	H	α-helix	trans	-63.7	-33.8	-179	-73.3	177	-178.4	-165.9	2.1	112.3	V574 E584 Q585 A586 M592	V574-R588 HydrophobicContact CG1-CB 3.61Å; E584-R588 WeakPolarHBondContact O-CB 3.42Å; E584-R588 VanDerWaalsContact O-CG 3.29Å; E584-R588 WeakPolarHBondContact O-CG 3.42Å; E584-R588 PolarHBondContact O-N 2.94Å; E584-R588 IonicContact OE1-CZ 3.88Å; E584-R588 IonicContact OE1-NE 2.6Å; E584-R588 PolarHBondContact OE1-NE 3.04Å; E584-R588 IonicContact OE1-NH2 3.18Å; E584-R588 PolarHBondContact OE1-NH2 3.44Å; Q585-R588 PolarHBondContact O-N 3.35Å; A586-R588 PolarHBondContact O-N 3.04Å; R588-M592 VanDerWaalsContact O-CB 3.25Å; R588-M592 WeakPolarHBondContact O-CB 3.28Å; R588-M592 PolarHBondContact O-N 3.26Å
589	V	83.3	Confident	75.7	Confident	6 Å²	6	67.3 Å²	67.3	4%	0.036	35%	0.352	C	S	.	.	H	α-helix	trans	-66.6	-47.3	173.1	166	0	0	0	0	111.2	V561 L566 V574 Q585 A586 F587 M592 W593	V561-V589 HydrophobicContact CG2-CG1 3.46Å; V561-V589 VanDerWaalsContact CG2-CG1 3.46Å; V561-V589 HydrophobicContact CG2-CG2 4.36Å; L566-V589 HydrophobicContact CD1-CG1 3.8Å; V574-V589 HydrophobicContact CB-CG2 4.33Å; V574-V589 HydrophobicContact CG1-CG2 4.09Å; Q585-V589 VanDerWaalsContact O-CG2 3.3Å; Q585-V589 WeakPolarHBondContact O-CG2 3.29Å; Q585-V589 PolarHBondContact O-N 3.3Å; Q585-V589 VanDerWaalsContact O-N 3.11Å; A586-V589 PolarHBondContact O-N 3.42Å; F587-V589 VanDerWaalsContact C-N 3.27Å; F587-V589 PolarHBondContact O-N 2.94Å; V589-M592 WeakPolarHBondContact O-CB 3.26Å; V589-M592 PolarHBondContact O-N 2.95Å; V589-W593 PolarHBondContact O-N 2.97Å
590	L	83.9	Confident	75.4	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-65.4	-40.7	179.1	-70	169.9	0	0	0	112.3	L545 L548 L552 L560 L564 A586 F587 W593 R594 L609	L545-L590 HydrophobicContact CD1-CB 4.34Å; L545-L590 HydrophobicContact CD2-CB 4.16Å; L545-L590 HydrophobicContact CD2-CD1 4.47Å; L548-L590 HydrophobicContact CB-CD1 4.45Å; L548-L590 HydrophobicContact CD2-CD1 3.91Å; L548-L590 HydrophobicContact CG-CD1 4.18Å; L552-L590 HydrophobicContact CD1-CD1 4.18Å; L560-L590 HydrophobicContact CD2-CD2 3.88Å; L564-L590 HydrophobicContact CD1-CD2 4.25Å; A586-L590 WeakPolarHBondContact O-CG 3.27Å; A586-L590 PolarHBondContact O-N 3.15Å; F587-L590 PolarHBondContact O-N 3.07Å; L590-W593 WeakPolarHBondContact O-CB 3.22Å; L590-W593 PolarHBondContact O-N 3.48Å; L590-R594 PolarHBondContact O-N 3.48Å; L590-L609 HydrophobicContact CD2-CD1 3.9Å
591	A	80.4	Confident	75	Confident	15 Å²	15	57.9 Å²	57.9	12%	0.124	32%	0.324	C	S	.	.	H	α-helix	trans	-65.6	-38.9	175.2	0	0	0	0	0	111.8	F587 R594 R595	F587-A591 WeakPolarHBondContact O-CB 3.42Å; F587-A591 PolarHBondContact O-N 3.36Å; A591-R594 PolarHBondContact O-N 3.41Å; A591-R595 WeakPolarHBondContact O-CB 3.49Å; A591-R595 VanDerWaalsContact O-CG 3.23Å; A591-R595 WeakPolarHBondContact O-CG 3.48Å; A591-R595 PolarHBondContact O-N 2.86Å; A591-R595 VanDerWaalsContact O-N 3.08Å
592	M	80.6	Confident	73.7	Confident	69 Å²	69	62.5 Å²	62.5	34%	0.34	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-43.2	173.6	-178.6	-175.4	-63.7	0	0	111.3	A570 V574 R588 V589 R595 A596	A570-M592 HydrophobicContact CB-CE 4.41Å; A570-M592 HydrophobicContact CB-SD 3.77Å; V574-M592 HydrophobicContact CG2-CE 3.34Å; R588-M592 VanDerWaalsContact O-CB 3.25Å; R588-M592 WeakPolarHBondContact O-CB 3.28Å; R588-M592 PolarHBondContact O-N 3.26Å; V589-M592 WeakPolarHBondContact O-CB 3.26Å; V589-M592 PolarHBondContact O-N 2.95Å; M592-R595 PolarHBondContact O-N 3.42Å; M592-A596 WeakPolarHBondContact O-CB 3.48Å; M592-A596 PolarHBondContact O-N 3.16Å; M592-A596 VanDerWaalsContact O-N 3.09Å
593	W	84.1	Confident	72.6	Confident	8 Å²	8	66 Å²	66	3%	0.03	37%	0.365	C	S	.	.	H	α-helix	trans	-61.6	-49.1	175.3	176.5	73.6	0	0	0	112.3	L540 L564 L566 V589 L590 R595 A596 L597 Q608 L609	L540-W593 HydrophobicContact CD1-CZ3 3.87Å; L564-W593 HydrophobicContact CB-CG 4.35Å; L564-W593 HydrophobicContact CD1-CB 4.46Å; L564-W593 HydrophobicContact CD1-CD2 4.09Å; L564-W593 HydrophobicContact CD1-CG 4.01Å; L564-W593 HydrophobicContact CD2-CD2 4.14Å; L564-W593 HydrophobicContact CD2-CH2 4.4Å; L564-W593 HydrophobicContact CD2-CZ2 3.78Å; L566-W593 HydrophobicContact CD1-CB 3.84Å; L566-W593 HydrophobicContact CD1-CG 4.43Å; L566-W593 HydrophobicContact CD2-CB 3.83Å; L566-W593 HydrophobicContact CD2-CG 4.21Å; L566-W593 HydrophobicContact CG-CB 4.25Å; V589-W593 PolarHBondContact O-N 2.97Å; L590-W593 WeakPolarHBondContact O-CB 3.22Å; L590-W593 PolarHBondContact O-N 3.48Å; W593-R595 PolarHBondContact O-N 2.85Å; W593-A596 PolarHBondContact O-N 3.22Å; W593-L597 HydrophobicContact CD2-CD1 4.21Å; W593-L597 HydrophobicContact CE3-CD1 4.32Å; W593-L597 HydrophobicContact CH2-CD1 3.78Å; W593-L597 HydrophobicContact CZ2-CD1 3.64Å; W593-L597 HydrophobicContact CZ2-CD2 4.37Å; W593-L597 HydrophobicContact CZ2-CG 4.43Å; W593-L597 HydrophobicContact CZ3-CD1 4.11Å; W593-L597 PolarHBondContact O-N 2.77Å; W593-Q608 HydrophobicContact CH2-CB 4.34Å; W593-Q608 HydrophobicContact CZ2-CB 4.29Å; W593-Q608 HydrophobicContact CZ2-CG 3.99Å; W593-L609 HydrophobicContact CH2-CB 3.94Å; W593-L609 HydrophobicContact CZ3-CB 4.05Å; W593-L609 HydrophobicContact CZ3-CD1 4.18Å; W593-L609 HydrophobicContact CZ3-CD2 4.46Å; W593-L609 HydrophobicContact CZ3-CG 4.47Å
594	R	82.2	Confident	72.2	Confident	31 Å²	31	67 Å²	67	12%	0.117	37%	0.371	C	S	.	.	H	α-helix	trans	-55.8	-40	177.9	-173	-176.1	64.2	-160.4	-4.3	112.1	L540 D542 L545 L590 A591 A596	L540-R594 WeakPolarHBondContact O-CD 3.45Å; L540-R594 PolarHBondContact O-NH1 2.67Å; D542-R594 IonicContact OD1-CZ 3.89Å; D542-R594 IonicContact OD1-NH1 3.03Å; D542-R594 PolarHBondContact OD1-NH1 2.63Å; D542-R594 IonicContact OD1-NH2 3.66Å; D542-R594 PolarHBondContact OD1-NH2 2.79Å; L545-R594 HydrophobicContact CD1-CB 4.48Å; L590-R594 PolarHBondContact O-N 3.48Å; A591-R594 PolarHBondContact O-N 3.41Å; R594-A596 VanDerWaalsContact C-N 3.34Å
595	R	74.6	Confident	71.9	Confident	214 Å²	214	64.4 Å²	64.4	81%	0.808	36%	0.358	S	S	*	.	H	α-helix	trans	-73.1	-23.1	178.3	-69.6	173.9	75.5	117.2	5.4	113.9	A591 M592 W593 L597	A591-R595 WeakPolarHBondContact O-CB 3.49Å; A591-R595 VanDerWaalsContact O-CG 3.23Å; A591-R595 WeakPolarHBondContact O-CG 3.48Å; A591-R595 PolarHBondContact O-N 2.86Å; A591-R595 VanDerWaalsContact O-N 3.08Å; M592-R595 PolarHBondContact O-N 3.42Å; W593-R595 PolarHBondContact O-N 2.85Å; R595-L597 VanDerWaalsContact C-N 3.34Å
596	A	70.6	Confident	71.7	Confident	74 Å²	74	63.2 Å²	63.2	61%	0.612	35%	0.352	S	S	*	.	H	α-helix	trans	-84.8	-8.6	179.1	0	0	0	0	0	113	M592 W593 R594	M592-A596 WeakPolarHBondContact O-CB 3.48Å; M592-A596 PolarHBondContact O-N 3.16Å; M592-A596 VanDerWaalsContact O-N 3.09Å; W593-A596 PolarHBondContact O-N 3.22Å; R594-A596 VanDerWaalsContact C-N 3.34Å
597	L	71.6	Confident	71.5	Confident	32 Å²	32	65.8 Å²	65.8	17%	0.168	37%	0.37	C	S	.	.	S	Bend	trans	-83.3	140.5	178.4	-67.1	172.4	0	0	0	112	W593 R595 K605	W593-L597 HydrophobicContact CD2-CD1 4.21Å; W593-L597 HydrophobicContact CE3-CD1 4.32Å; W593-L597 HydrophobicContact CH2-CD1 3.78Å; W593-L597 HydrophobicContact CZ2-CD1 3.64Å; W593-L597 HydrophobicContact CZ2-CD2 4.37Å; W593-L597 HydrophobicContact CZ2-CG 4.43Å; W593-L597 HydrophobicContact CZ3-CD1 4.11Å; W593-L597 PolarHBondContact O-N 2.77Å; R595-L597 VanDerWaalsContact C-N 3.34Å; L597-K605 HydrophobicContact CD1-CD 4.21Å; L597-K605 HydrophobicContact CD1-CG 4.18Å
598	P	61.4	Low	71.4	Confident	86 Å²	86	67.9 Å²	67.9	56%	0.558	38%	0.38	S	S	*	.			trans	-58.6	150.9	173	-21.1	32.2	0	0	0	112.4	V600	P598-V600 VanDerWaalsContact C-N 3.27Å; P598-V600 PolarHBondContact O-N 3.24Å
599	A	56.4	Low	71.5	Confident	99 Å²	99	63.2 Å²	63.2	82%	0.818	36%	0.363	S	S	*	.	S	Bend	trans	-69.4	-20.7	-178.4	0	0	0	0	0	114
600	V	53.8	Low	71.5	Confident	133 Å²	133	63.3 Å²	63.3	81%	0.806	36%	0.364	S	S	*	.			trans	-119.3	90.8	178.4	-172.3	0	0	0	0	108.3	P598	P598-V600 VanDerWaalsContact C-N 3.27Å; P598-V600 PolarHBondContact O-N 3.24Å
601	T	54.4	Low	71.5	Confident	48 Å²	48	65 Å²	65	29%	0.294	38%	0.383	S	S	.	.			trans	-104.7	129	174.5	48.6	0	0	0	0	109.7	H603	T601-H603 PolarHBondContact O-N 2.99Å; T601-H603 PolarHBondContact OG1-O 3.39Å; T601-H603 VanDerWaalsContact OG1-O 3.14Å
602	C	48.7	Very low	71.6	Confident	128 Å²	128	64.4 Å²	64.4	87%	0.865	38%	0.377	S	S	*	.	S	Bend	trans	-65.9	-2.8	178.1	-61.1	0	0	0	0	114.6
603	H	53.7	Low	71.9	Confident	143 Å²	143	61.1 Å²	61.1	66%	0.662	36%	0.361	S	S	*	.	S	Bend	trans	-128.7	145.5	173.4	-64.7	-60.1	0	0	0	110.3	T601 K605	T601-H603 PolarHBondContact O-N 2.99Å; T601-H603 PolarHBondContact OG1-O 3.39Å; T601-H603 VanDerWaalsContact OG1-O 3.14Å; H603-K605 PolarHBondContact O-N 3Å
604	P	69.1	Low	71.8	Confident	74 Å²	74	62.6 Å²	62.6	48%	0.481	38%	0.378	S	S	.	.			trans	-60.6	134.7	177.8	-15.3	26.7	0	0	0	110.5	A606 S607 Q608	P604-A606 PolarHBondContact O-N 2.82Å; P604-S607 WeakPolarHBondContact O-CB 3.43Å; P604-S607 PolarHBondContact O-N 3.04Å; P604-Q608 PolarHBondContact O-N 2.84Å
605	K	73.8	Confident	71.8	Confident	28 Å²	28	68.5 Å²	68.5	12%	0.122	40%	0.401	C	S	.	.	H	α-helix	trans	-58.7	-33.7	-176.9	-63.1	-178	-178.6	176.3	0	111.8	P539 L540 L597 H603 Q608 L609	P539-K605 HydrophobicContact CB-CB 4.42Å; P539-K605 HydrophobicContact CB-CD 4.42Å; P539-K605 HydrophobicContact CG-CD 4.23Å; L540-K605 HydrophobicContact CD1-CB 3.68Å; L540-K605 HydrophobicContact CG-CB 4.23Å; L597-K605 HydrophobicContact CD1-CD 4.21Å; L597-K605 HydrophobicContact CD1-CG 4.18Å; H603-K605 PolarHBondContact O-N 3Å; K605-Q608 PolarHBondContact O-N 3.46Å; K605-L609 PolarHBondContact O-N 3.4Å; K605-L609 VanDerWaalsContact O-N 3.12Å
606	A	76	Confident	72.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-71.7	-31.5	174.7	0	0	0	0	0	114.2	L540 P604 Q608 L609 A610 V625 L626 E629	L540-A606 HydrophobicContact CD2-CB 3.64Å; L540-A606 HydrophobicContact CG-CB 4.34Å; P604-A606 PolarHBondContact O-N 2.82Å; A606-Q608 VanDerWaalsContact C-N 3.25Å; A606-Q608 PolarHBondContact O-N 3.24Å; A606-L609 PolarHBondContact O-N 3.14Å; A606-A610 WeakPolarHBondContact O-CB 3.37Å; A606-A610 PolarHBondContact O-N 2.92Å; A606-V625 HydrophobicContact CB-CG1 4.24Å; A606-L626 HydrophobicContact CB-CD2 4.08Å; A606-E629 HydrophobicContact CB-CB 4.47Å; A606-E629 HydrophobicContact CB-CG 4.48Å; A606-E629 WeakPolarHBondContact CB-OE2 3.48Å
607	S	78.4	Confident	72.7	Confident	55 Å²	55	58.7 Å²	58.7	39%	0.385	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-35	173.8	-51.2	0	0	0	0	111.3	P604 G611	P604-S607 WeakPolarHBondContact O-CB 3.43Å; P604-S607 PolarHBondContact O-N 3.04Å; S607-G611 PolarHBondContact O-N 2.89Å
608	Q	81.3	Confident	73.2	Confident	83 Å²	83	59.5 Å²	59.5	39%	0.388	37%	0.367	S	S	.	.	H	α-helix	trans	-70.3	-37.9	174.6	-166.5	177.1	16.1	0	0	112.6	W593 P604 K605 A606 S612	W593-Q608 HydrophobicContact CH2-CB 4.34Å; W593-Q608 HydrophobicContact CZ2-CB 4.29Å; W593-Q608 HydrophobicContact CZ2-CG 3.99Å; P604-Q608 PolarHBondContact O-N 2.84Å; K605-Q608 PolarHBondContact O-N 3.46Å; A606-Q608 VanDerWaalsContact C-N 3.25Å; A606-Q608 PolarHBondContact O-N 3.24Å; Q608-S612 WeakPolarHBondContact O-CB 3.45Å; Q608-S612 PolarHBondContact O-N 3.18Å; Q608-S612 PolarHBondContact O-OG 2.95Å
609	L	84.3	Confident	74.3	Confident	0 Å²	0	59 Å²	59	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-68.2	-47.9	174.7	-175.3	57.7	0	0	0	110.9	L540 L545 L548 L564 L590 W593 K605 A606 G611 S612 L613 V625	L540-L609 HydrophobicContact CD1-CD2 4.26Å; L540-L609 HydrophobicContact CD2-CD2 4.12Å; L545-L609 HydrophobicContact CD2-CD2 4.16Å; L548-L609 HydrophobicContact CD2-CD1 4.46Å; L548-L609 HydrophobicContact CD2-CD2 3.8Å; L548-L609 HydrophobicContact CD2-CG 4.31Å; L564-L609 HydrophobicContact CD1-CD1 4.35Å; L564-L609 HydrophobicContact CD2-CD1 4.33Å; L590-L609 HydrophobicContact CD2-CD1 3.9Å; W593-L609 HydrophobicContact CH2-CB 3.94Å; W593-L609 HydrophobicContact CZ3-CB 4.05Å; W593-L609 HydrophobicContact CZ3-CD1 4.18Å; W593-L609 HydrophobicContact CZ3-CD2 4.46Å; W593-L609 HydrophobicContact CZ3-CG 4.47Å; K605-L609 PolarHBondContact O-N 3.4Å; K605-L609 VanDerWaalsContact O-N 3.12Å; A606-L609 PolarHBondContact O-N 3.14Å; L609-G611 PolarHBondContact O-N 3.44Å; L609-S612 CarbonylContact O-C 3.52Å; L609-S612 WeakPolarHBondContact O-CA 2.83Å; L609-S612 WeakPolarHBondContact O-CB 3.21Å; L609-S612 PolarHBondContact O-N 3.34Å; L609-L613 HydrophobicContact CG-CD1 4.24Å; L609-L613 WeakPolarHBondContact O-CG 3.4Å; L609-L613 PolarHBondContact O-N 3.06Å; L609-V625 HydrophobicContact CD2-CG1 4.3Å
610	A	83.3	Confident	75.6	Confident	7 Å²	7	58 Å²	58	6%	0.058	35%	0.345	C	S	.	.	H	α-helix	trans	-60.1	-44.1	177.1	0	0	0	0	0	112.1	A606 S612 L613 G614 A622 L626	A606-A610 WeakPolarHBondContact O-CB 3.37Å; A606-A610 PolarHBondContact O-N 2.92Å; A610-S612 PolarHBondContact O-N 3.28Å; A610-L613 PolarHBondContact O-N 3.28Å; A610-G614 PolarHBondContact O-N 2.92Å; A610-A622 HydrophobicContact CB-CB 3.99Å; A610-A622 WeakPolarHBondContact CB-O 3.38Å; A610-A622 VanDerWaalsContact O-CB 3.3Å; A610-A622 WeakPolarHBondContact O-CB 3.44Å; A610-L626 HydrophobicContact CB-CD1 3.85Å; A610-L626 HydrophobicContact CB-CD2 4.13Å; A610-L626 HydrophobicContact CB-CG 3.82Å
611	G	82.3	Confident	77	Confident	39 Å²	39	51.9 Å²	51.9	40%	0.402	31%	0.308	S	S	.	.	H	α-helix	trans	-66.9	-20.1	174.1	0	0	0	0	0	114	S607 L609 R615	S607-G611 PolarHBondContact O-N 2.89Å; L609-G611 PolarHBondContact O-N 3.44Å; G611-R615 WeakPolarHBondContact O-CG 3.43Å; G611-R615 PolarHBondContact O-NE 2.74Å
612	S	83.8	Confident	78.4	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.014	30%	0.298	C	S	.	.	H	α-helix	trans	-86.4	-34.3	173	-56	0	0	0	0	111.9	L564 Q608 L609 A610 R615 I616	L564-S612 WeakPolarHBondContact CD2-OG 3.43Å; Q608-S612 WeakPolarHBondContact O-CB 3.45Å; Q608-S612 PolarHBondContact O-N 3.18Å; Q608-S612 PolarHBondContact O-OG 2.95Å; L609-S612 CarbonylContact O-C 3.52Å; L609-S612 WeakPolarHBondContact O-CA 2.83Å; L609-S612 WeakPolarHBondContact O-CB 3.21Å; L609-S612 PolarHBondContact O-N 3.34Å; A610-S612 PolarHBondContact O-N 3.28Å; S612-R615 PolarHBondContact O-N 3.27Å; S612-R615 PolarHBondContact OG-NH2 2.94Å; S612-I616 PolarHBondContact O-N 3.12Å
613	L	85.9	Confident	80	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.8	-41.1	171.7	-71.1	171.2	0	0	0	111.8	L548 L552 L560 L609 A610 R615 I616 G617 R618 L621 A622 V625	L548-L613 HydrophobicContact CD1-CD1 4.07Å; L548-L613 HydrophobicContact CD1-CD2 4.45Å; L548-L613 HydrophobicContact CD2-CD1 4.11Å; L552-L613 HydrophobicContact CD2-CD2 4.13Å; L560-L613 HydrophobicContact CD1-CD2 4.04Å; L560-L613 HydrophobicContact CD1-CG 4.48Å; L560-L613 HydrophobicContact CD2-CD2 4.05Å; L609-L613 HydrophobicContact CG-CD1 4.24Å; L609-L613 WeakPolarHBondContact O-CG 3.4Å; L609-L613 PolarHBondContact O-N 3.06Å; A610-L613 PolarHBondContact O-N 3.28Å; L613-R615 VanDerWaalsContact C-N 3.3Å; L613-R615 PolarHBondContact O-N 3.4Å; L613-I616 HydrophobicContact CD2-CD1 3.91Å; L613-I616 WeakPolarHBondContact O-CG1 3.28Å; L613-I616 PolarHBondContact O-N 3.07Å; L613-G617 PolarHBondContact O-N 3.47Å; L613-R618 CarbonylContact O-C 3.59Å; L613-R618 PolarHBondContact O-N 3.13Å; L613-L621 HydrophobicContact CD1-CB 4.33Å; L613-A622 HydrophobicContact CB-CB 3.94Å; L613-V625 HydrophobicContact CD1-CG2 3.97Å
614	G	83.1	Confident	81.3	Confident	38 Å²	38	49.7 Å²	49.7	39%	0.392	28%	0.275	S	S	.	.	H	α-helix	trans	-61.9	-36.4	172.5	0	0	0	0	0	112.9	A610 I616 G617	A610-G614 PolarHBondContact O-N 2.92Å; G614-I616 VanDerWaalsContact C-N 3.33Å; G614-I616 PolarHBondContact O-N 3.4Å; G614-G617 PolarHBondContact O-N 3.38Å
615	R	82.3	Confident	82	Confident	156 Å²	156	46.1 Å²	46.1	59%	0.589	25%	0.252	S	S	*	.	H	α-helix	trans	-70.6	-23.6	177.4	-83.8	-177.6	-80.6	138.1	-3	114.2	S563 G611 S612 L613 G617	S563-R615 PolarHBondContact O-NH1 3.48Å; S563-R615 VanDerWaalsContact O-NH1 3.08Å; G611-R615 WeakPolarHBondContact O-CG 3.43Å; G611-R615 PolarHBondContact O-NE 2.74Å; S612-R615 PolarHBondContact O-N 3.27Å; S612-R615 PolarHBondContact OG-NH2 2.94Å; L613-R615 VanDerWaalsContact C-N 3.3Å; L613-R615 PolarHBondContact O-N 3.4Å; R615-G617 VanDerWaalsContact C-N 3.32Å
616	I	83.8	Confident	82.4	Confident	27 Å²	27	48.2 Å²	48.2	14%	0.138	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	5.6	175	64.7	165.1	0	0	0	112.6	L552 L559 L560 S612 L613 G614	L552-I616 HydrophobicContact CD2-CD1 4.35Å; L559-I616 HydrophobicContact CB-CB 4.36Å; L559-I616 HydrophobicContact CB-CG2 3.88Å; L560-I616 HydrophobicContact CB-CD1 4.19Å; L560-I616 HydrophobicContact CD1-CD1 4.11Å; S612-I616 PolarHBondContact O-N 3.12Å; L613-I616 HydrophobicContact CD2-CD1 3.91Å; L613-I616 WeakPolarHBondContact O-CG1 3.28Å; L613-I616 PolarHBondContact O-N 3.07Å; G614-I616 VanDerWaalsContact C-N 3.33Å; G614-I616 PolarHBondContact O-N 3.4Å
617	G	79.4	Confident	82.6	Confident	54 Å²	54	53.3 Å²	53.3	56%	0.557	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	13	177.3	0	0	0	0	0	115.3	L613 G614 R615 P619	L613-G617 PolarHBondContact O-N 3.47Å; G614-G617 PolarHBondContact O-N 3.38Å; R615-G617 VanDerWaalsContact C-N 3.32Å; G617-P619 WeakPolarHBondContact O-CD 3.48Å
618	R	83.4	Confident	82.6	Confident	50 Å²	50	54.7 Å²	54.7	19%	0.189	29%	0.288	C	S	.	.			trans	-115.1	68.3	178.1	-65.8	-64.3	-63.2	-86.6	3	112.6	E556 L613 D620 L621 A622	E556-R618 WeakPolarHBondContact OE1-CD 3.25Å; E556-R618 WeakPolarHBondContact OE1-CG 3.45Å; E556-R618 IonicContact OE1-CZ 3.71Å; E556-R618 IonicContact OE1-NE 3.5Å; E556-R618 IonicContact OE1-NH1 3.83Å; E556-R618 PolarHBondContact OE1-NH1 3Å; E556-R618 IonicContact OE2-NH1 3.82Å; E556-R618 PolarHBondContact OE2-NH1 3.4Å; L613-R618 CarbonylContact O-C 3.59Å; L613-R618 PolarHBondContact O-N 3.13Å; R618-D620 WeakPolarHBondContact CA-OD1 3.44Å; R618-D620 WeakPolarHBondContact CB-OD1 3.44Å; R618-D620 IonicContact CZ-OD2 2.87Å; R618-D620 IonicContact NE-OD1 2.88Å; R618-D620 PolarHBondContact NE-OD1 2.93Å; R618-D620 VanDerWaalsContact NE-OD1 3.11Å; R618-D620 IonicContact NE-OD2 3.99Å; R618-D620 PolarHBondContact NE-OD2 2.91Å; R618-D620 IonicContact NH2-OD2 3.11Å; R618-D620 PolarHBondContact NH2-OD2 3.45Å; R618-D620 PolarHBondContact O-N 3.37Å; R618-L621 HydrophobicContact CB-CB 4.45Å; R618-L621 HydrophobicContact CB-CD1 4.26Å; R618-L621 HydrophobicContact CB-CG 4.45Å; R618-L621 HydrophobicContact CG-CD1 4.49Å; R618-A622 PolarHBondContact O-N 2.84Å
619	P	82.8	Confident	82.4	Confident	74 Å²	74	52.6 Å²	52.6	48%	0.481	28%	0.278	S	S	.	.	H	α-helix	trans	-72.8	-18.5	178.1	32.7	-36.2	0	0	0	113.1	G617 R623	G617-P619 WeakPolarHBondContact O-CD 3.48Å; P619-R623 WeakPolarHBondContact O-CG 3.45Å; P619-R623 PolarHBondContact O-N 3.15Å
620	D	83.6	Confident	81.8	Confident	79 Å²	79	54.8 Å²	54.8	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-58.1	-57.3	169.9	56.2	-40.6	0	0	0	110.6	R618 A622 R623 E624	R618-D620 WeakPolarHBondContact CA-OD1 3.44Å; R618-D620 WeakPolarHBondContact CB-OD1 3.44Å; R618-D620 IonicContact CZ-OD2 2.87Å; R618-D620 IonicContact NE-OD1 2.88Å; R618-D620 PolarHBondContact NE-OD1 2.93Å; R618-D620 VanDerWaalsContact NE-OD1 3.11Å; R618-D620 IonicContact NE-OD2 3.99Å; R618-D620 PolarHBondContact NE-OD2 2.91Å; R618-D620 IonicContact NH2-OD2 3.11Å; R618-D620 PolarHBondContact NH2-OD2 3.45Å; R618-D620 PolarHBondContact O-N 3.37Å; D620-A622 VanDerWaalsContact C-N 3.3Å; D620-A622 PolarHBondContact O-N 3.2Å; D620-R623 PolarHBondContact O-N 2.74Å; D620-E624 PolarHBondContact O-N 3.21Å
621	L	84.7	Confident	81.1	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-66.6	-33.3	178.5	-63.6	-179.8	0	0	0	112.1	W547 L548 E551 L552 L613 R618 R623 E624 V625	W547-L621 HydrophobicContact CH2-CD2 3.92Å; W547-L621 HydrophobicContact CZ2-CD2 4.27Å; L548-L621 HydrophobicContact CD1-CB 4.26Å; L548-L621 HydrophobicContact CD1-CD1 4.12Å; E551-L621 HydrophobicContact CB-CD1 4.15Å; E551-L621 HydrophobicContact CB-CD2 3.94Å; E551-L621 HydrophobicContact CG-CD2 4.26Å; L552-L621 HydrophobicContact CD2-CD1 4.14Å; L613-L621 HydrophobicContact CD1-CB 4.33Å; R618-L621 HydrophobicContact CB-CB 4.45Å; R618-L621 HydrophobicContact CB-CD1 4.26Å; R618-L621 HydrophobicContact CB-CG 4.45Å; R618-L621 HydrophobicContact CG-CD1 4.49Å; L621-R623 VanDerWaalsContact C-N 3.33Å; L621-R623 PolarHBondContact O-N 3.34Å; L621-E624 PolarHBondContact O-N 3.45Å; L621-V625 WeakPolarHBondContact O-CB 3.32Å; L621-V625 VanDerWaalsContact O-CG2 3.23Å; L621-V625 WeakPolarHBondContact O-CG2 3.4Å; L621-V625 PolarHBondContact O-N 3.35Å
622	A	84	Confident	80.3	Confident	11 Å²	11	63 Å²	63	9%	0.091	33%	0.326	C	S	.	.	H	α-helix	trans	-61.6	-40.1	177	0	0	0	0	0	112.6	A610 L613 R618 D620 L626	A610-A622 HydrophobicContact CB-CB 3.99Å; A610-A622 WeakPolarHBondContact CB-O 3.38Å; A610-A622 VanDerWaalsContact O-CB 3.3Å; A610-A622 WeakPolarHBondContact O-CB 3.44Å; L613-A622 HydrophobicContact CB-CB 3.94Å; R618-A622 PolarHBondContact O-N 2.84Å; D620-A622 VanDerWaalsContact C-N 3.3Å; D620-A622 PolarHBondContact O-N 3.2Å; A622-L626 WeakPolarHBondContact O-CG 3.46Å; A622-L626 PolarHBondContact O-N 3.48Å
623	R	81.6	Confident	79.2	Confident	189 Å²	189	66.3 Å²	66.3	71%	0.713	35%	0.349	S	S	*	.	H	α-helix	trans	-69.7	-42	176.1	-73.6	175.6	-176.3	-109.3	2.2	111.2	P619 D620 L621 L626 L627	P619-R623 WeakPolarHBondContact O-CG 3.45Å; P619-R623 PolarHBondContact O-N 3.15Å; D620-R623 PolarHBondContact O-N 2.74Å; L621-R623 VanDerWaalsContact C-N 3.33Å; L621-R623 PolarHBondContact O-N 3.34Å; R623-L626 PolarHBondContact O-N 3.27Å; R623-L627 WeakPolarHBondContact O-CG 3.23Å; R623-L627 PolarHBondContact O-N 3.3Å
624	E	81.8	Confident	77.8	Confident	73 Å²	73	73.2 Å²	73.2	34%	0.341	38%	0.381	S	S	.	.	H	α-helix	trans	-70.8	-34.1	-177.3	-166.1	160.6	176.6	0	0	113.1	W547 D620 L621 L626 L627 R628	W547-E624 HydrophobicContact CH2-CB 3.95Å; W547-E624 HydrophobicContact CH2-CG 3.72Å; W547-E624 HydrophobicContact CZ2-CG 4.04Å; D620-E624 PolarHBondContact O-N 3.21Å; L621-E624 PolarHBondContact O-N 3.45Å; E624-L626 VanDerWaalsContact C-N 3.32Å; E624-L626 PolarHBondContact O-N 3.34Å; E624-L627 PolarHBondContact O-N 3.39Å; E624-R628 HydrophobicContact CG-CG 4.41Å; E624-R628 WeakPolarHBondContact O-CB 3.42Å; E624-R628 WeakPolarHBondContact O-CG 3.49Å; E624-R628 PolarHBondContact O-N 2.87Å; E624-R628 IonicContact OE1-CZ 2.83Å; E624-R628 IonicContact OE1-NE 3.44Å; E624-R628 PolarHBondContact OE1-NE 3.24Å; E624-R628 IonicContact OE1-NH2 3.05Å; E624-R628 PolarHBondContact OE1-NH2 2.97Å
625	V	83.3	Confident	76.4	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-61.3	-40.1	171.1	166.6	0	0	0	0	111.7	L540 L544 W547 L548 A606 L609 L613 L621 E629	L540-V625 HydrophobicContact CD2-CG1 4.46Å; L544-V625 HydrophobicContact CD2-CG1 4.33Å; W547-V625 HydrophobicContact CZ3-CG2 3.92Å; L548-V625 HydrophobicContact CD1-CG2 4.03Å; L548-V625 HydrophobicContact CD2-CG2 4.17Å; A606-V625 HydrophobicContact CB-CG1 4.24Å; L609-V625 HydrophobicContact CD2-CG1 4.3Å; L613-V625 HydrophobicContact CD1-CG2 3.97Å; L621-V625 WeakPolarHBondContact O-CB 3.32Å; L621-V625 VanDerWaalsContact O-CG2 3.23Å; L621-V625 WeakPolarHBondContact O-CG2 3.4Å; L621-V625 PolarHBondContact O-N 3.35Å; V625-E629 WeakPolarHBondContact O-CB 3.41Å; V625-E629 PolarHBondContact O-N 3.46Å; V625-E629 VanDerWaalsContact O-N 3.13Å
626	L	81.8	Confident	75	Confident	71 Å²	71	74.2 Å²	74.2	37%	0.372	40%	0.397	S	S	.	.	H	α-helix	trans	-72	-38.4	178	-68.5	172.5	0	0	0	112.1	A606 A610 A622 R623 E624 A630	A606-L626 HydrophobicContact CB-CD2 4.08Å; A610-L626 HydrophobicContact CB-CD1 3.85Å; A610-L626 HydrophobicContact CB-CD2 4.13Å; A610-L626 HydrophobicContact CB-CG 3.82Å; A622-L626 WeakPolarHBondContact O-CG 3.46Å; A622-L626 PolarHBondContact O-N 3.48Å; R623-L626 PolarHBondContact O-N 3.27Å; E624-L626 VanDerWaalsContact C-N 3.32Å; E624-L626 PolarHBondContact O-N 3.34Å; L626-A630 WeakPolarHBondContact O-CB 3.3Å; L626-A630 PolarHBondContact O-N 3.26Å; L626-A630 VanDerWaalsContact O-N 3.07Å
627	L	80.7	Confident	73.2	Confident	108 Å²	108	81.8 Å²	81.8	57%	0.565	43%	0.429	S	S	*	.	H	α-helix	trans	-64.5	-49	176	-74.7	167.2	0	0	0	111.7	R623 E624 E629 A630 E631	R623-L627 WeakPolarHBondContact O-CG 3.23Å; R623-L627 PolarHBondContact O-N 3.3Å; E624-L627 PolarHBondContact O-N 3.39Å; L627-E629 VanDerWaalsContact C-N 3.32Å; L627-E629 PolarHBondContact O-N 3.24Å; L627-A630 WeakPolarHBondContact O-CB 3.05Å; L627-A630 PolarHBondContact O-N 3.38Å; L627-A630 VanDerWaalsContact O-N 3.12Å; L627-E631 WeakPolarHBondContact O-CG 3.44Å; L627-E631 PolarHBondContact O-N 3.32Å
628	R	77.5	Confident	71.1	Confident	84 Å²	84	91.9 Å²	91.9	32%	0.317	46%	0.458	S	S	.	.	H	α-helix	trans	-68.7	-29.5	-179.4	-68.8	-176.7	-176.5	-144.6	6.2	113	L544 E624 L632	L544-R628 HydrophobicContact CD1-CB 3.7Å; E624-R628 HydrophobicContact CG-CG 4.41Å; E624-R628 WeakPolarHBondContact O-CB 3.42Å; E624-R628 WeakPolarHBondContact O-CG 3.49Å; E624-R628 PolarHBondContact O-N 2.87Å; E624-R628 IonicContact OE1-CZ 2.83Å; E624-R628 IonicContact OE1-NE 3.44Å; E624-R628 PolarHBondContact OE1-NE 3.24Å; E624-R628 IonicContact OE1-NH2 3.05Å; E624-R628 PolarHBondContact OE1-NH2 2.97Å; R628-L632 WeakPolarHBondContact O-CB 3.42Å; R628-L632 WeakPolarHBondContact O-CD1 3.45Å; R628-L632 VanDerWaalsContact O-CG 3.22Å; R628-L632 WeakPolarHBondContact O-CG 3.35Å; R628-L632 PolarHBondContact O-N 3.25Å; R628-L632 VanDerWaalsContact O-N 3.15Å
629	E	76.8	Confident	70.4	Confident	39 Å²	39	94 Å²	94	18%	0.182	47%	0.472	C	S	.	.	H	α-helix	trans	-70	-38.6	170.8	-166.6	-179.2	-127.6	0	0	111.5	L540 L544 A606 V625 L627 L632 S633	L540-E629 PolarHBondContact N-OE1 3.37Å; L544-E629 HydrophobicContact CD2-CB 4.41Å; A606-E629 HydrophobicContact CB-CB 4.47Å; A606-E629 HydrophobicContact CB-CG 4.48Å; A606-E629 WeakPolarHBondContact CB-OE2 3.48Å; V625-E629 WeakPolarHBondContact O-CB 3.41Å; V625-E629 PolarHBondContact O-N 3.46Å; V625-E629 VanDerWaalsContact O-N 3.13Å; L627-E629 VanDerWaalsContact C-N 3.32Å; L627-E629 PolarHBondContact O-N 3.24Å; E629-L632 PolarHBondContact O-N 3.46Å; E629-S633 WeakPolarHBondContact O-CB 3.44Å; E629-S633 PolarHBondContact O-N 3.2Å
630	A	71.6	Confident	69.8	Low	46 Å²	46	95 Å²	95	38%	0.38	47%	0.471	S	S	.	.	H	α-helix	trans	-62.8	-45.4	174.9	0	0	0	0	0	111.7	L626 L627 L632 S633 E634	L626-A630 WeakPolarHBondContact O-CB 3.3Å; L626-A630 PolarHBondContact O-N 3.26Å; L626-A630 VanDerWaalsContact O-N 3.07Å; L627-A630 WeakPolarHBondContact O-CB 3.05Å; L627-A630 PolarHBondContact O-N 3.38Å; L627-A630 VanDerWaalsContact O-N 3.12Å; A630-L632 PolarHBondContact O-N 2.76Å; A630-S633 WeakPolarHBondContact CA-OG 3.17Å; A630-S633 WeakPolarHBondContact O-CA 3.42Å; A630-S633 WeakPolarHBondContact O-CB 3.14Å; A630-S633 PolarHBondContact O-N 2.94Å; A630-S633 PolarHBondContact O-OG 2.87Å; A630-E634 PolarHBondContact O-N 3.11Å
631	E	70.5	Confident	69	Low	130 Å²	130	95.9 Å²	95.9	61%	0.607	47%	0.474	S	S	*	.	H	α-helix	trans	-60.4	-41.9	175.9	-71.1	171.5	176.8	0	0	112.8	L627 S633 E634 G635	L627-E631 WeakPolarHBondContact O-CG 3.44Å; L627-E631 PolarHBondContact O-N 3.32Å; E631-S633 PolarHBondContact O-N 3.03Å; E631-E634 PolarHBondContact O-N 3.28Å; E631-G635 PolarHBondContact O-N 3.18Å
632	L	65.2	Low	68.1	Low	89 Å²	89	101.3 Å²	101.3	47%	0.466	50%	0.501	S	S	.	.	H	α-helix	trans	-68.5	-21.4	175.3	-73.6	169.6	0	0	0	113.2	R628 E629 A630	R628-L632 WeakPolarHBondContact O-CB 3.42Å; R628-L632 WeakPolarHBondContact O-CD1 3.45Å; R628-L632 VanDerWaalsContact O-CG 3.22Å; R628-L632 WeakPolarHBondContact O-CG 3.35Å; R628-L632 PolarHBondContact O-N 3.25Å; R628-L632 VanDerWaalsContact O-N 3.15Å; E629-L632 PolarHBondContact O-N 3.46Å; A630-L632 PolarHBondContact O-N 2.76Å
633	S	60	Low	67.1	Low	71 Å²	71	106.9 Å²	106.9	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-86.4	-31.1	175.1	78	0	0	0	0	113.1	E629 A630 E631	E629-S633 WeakPolarHBondContact O-CB 3.44Å; E629-S633 PolarHBondContact O-N 3.2Å; A630-S633 WeakPolarHBondContact CA-OG 3.17Å; A630-S633 WeakPolarHBondContact O-CA 3.42Å; A630-S633 WeakPolarHBondContact O-CB 3.14Å; A630-S633 PolarHBondContact O-N 2.94Å; A630-S633 PolarHBondContact O-OG 2.87Å; E631-S633 PolarHBondContact O-N 3.03Å
634	E	55.8	Low	66.1	Low	145 Å²	145	101.5 Å²	101.5	68%	0.678	51%	0.514	S	S	*	.	H	α-helix	trans	-80.3	-34.8	177.4	-70.8	-156.4	157	0	0	113.2	A630 E631 K636 K637	A630-E634 PolarHBondContact O-N 3.11Å; E631-E634 PolarHBondContact O-N 3.28Å; E634-K636 PolarHBondContact O-N 3.48Å; E634-K637 PolarHBondContact O-N 3.04Å; E634-K637 VanDerWaalsContact O-N 3.15Å
635	G	53.3	Low	65	Low	66 Å²	66	103.5 Å²	103.5	68%	0.68	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	1.1	174.9	0	0	0	0	0	115.4	E631	E631-G635 PolarHBondContact O-N 3.18Å
636	K	53.2	Low	63.6	Low	148 Å²	148	111.5 Å²	111.5	64%	0.643	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	4.4	177.4	-73.6	-178.1	177.8	-178.9	0	114.1	A537 E634	A537-K636 HydrophobicContact CB-CD 4.4Å; E634-K636 PolarHBondContact O-N 3.48Å
637	K	45.7	Very low	62.1	Low	186 Å²	186	114.8 Å²	114.8	81%	0.809	58%	0.583	S	S	*	*			trans	-97.6	9.9	176	-84.6	-172.4	178.5	177.1	0	114.7	E634	E634-K637 PolarHBondContact O-N 3.04Å; E634-K637 VanDerWaalsContact O-N 3.15Å
638	F	35.2	Very low	60.4	Low	266 Å²	266	115.5 Å²	115.5	100%	1.167	58%	0.584	S	S	*	*			trans	-117.9	0	172.5	-80.9	-80.6	0	0	0	111.6

Retrieved 638 of 638 residues in 585.6 ms (Link to these results)

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