A0A077Z5J7_TRITR Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A077Z5J7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 742 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	32	Very low	248 Å²	248	162.6 Å²	162.6	100%	1.222	83%	0.827	S	S	*	*				0	143	0	-71.4	-174.4	-164.3	0	0	108.5
2	S	35.3	Very low	32.2	Very low	119 Å²	119	159.1 Å²	159.1	83%	0.832	83%	0.828	S	S	*	*			trans	73.2	86.3	-174.7	-144.3	0	0	0	0	115.5
3	K	33.4	Very low	32.1	Very low	174 Å²	174	162.6 Å²	162.6	76%	0.757	83%	0.833	S	S	*	*				75	121	70.8	-83.8	-171.2	177.7	174.3	0	115.9
4	R	34	Very low	32.4	Very low	200 Å²	200	158.6 Å²	158.6	76%	0.755	83%	0.826	S	S	*	*			trans	82	135.6	147.3	-66.8	169.8	178.8	-178.7	-2.4	116.3
5	H	34.5	Very low	32.6	Very low	169 Å²	169	158.9 Å²	158.9	78%	0.782	83%	0.828	S	S	*	*			cis	-149.3	142.6	18.1	-98.3	-52.6	0	0	0	112.2
6	R	27.7	Very low	32.4	Very low	217 Å²	217	161 Å²	161	82%	0.819	83%	0.829	S	S	*	*			trans	-76.2	144.6	162.7	-119.9	179.8	177.8	169.3	-3.2	109.5
7	I	32.6	Very low	32.3	Very low	157 Å²	157	162.4 Å²	162.4	81%	0.805	83%	0.827	S	S	*	*			trans	-121	110.7	157.3	-61.6	176.4	0	0	0	106.3	V9	I7-V9 HydrophobicContact CG2-CG2 4.44Å
8	D	29.2	Very low	32.3	Very low	132 Å²	132	159.8 Å²	159.8	71%	0.706	82%	0.82	S	S	*	*			trans	-80.8	138	168.6	-90.9	-44.9	0	0	0	109.4
9	V	35.2	Very low	32.4	Very low	140 Å²	140	162.6 Å²	162.6	85%	0.848	82%	0.82	S	S	*	*			trans	-126.1	90.6	163.8	-174.1	0	0	0	0	109	I7	I7-V9 HydrophobicContact CG2-CG2 4.44Å
10	G	29.6	Very low	32.4	Very low	65 Å²	65	161.7 Å²	161.7	67%	0.67	82%	0.817	S	S	*	*			trans	46.7	98.4	137.5	0	0	0	0	0	120.9
11	D	28.2	Very low	32.6	Very low	168 Å²	168	159.9 Å²	159.9	90%	0.898	82%	0.819	S	S	*	*			trans	-64.9	128.7	146.8	-103.4	-30.7	0	0	0	110.3
12	S	34.4	Very low	32.7	Very low	120 Å²	120	156.2 Å²	156.2	84%	0.839	80%	0.799	S	S	*	*			trans	-115	97.5	167.6	-60.5	0	0	0	0	109.6
13	K	30.4	Very low	32.5	Very low	205 Å²	205	158.2 Å²	158.2	89%	0.891	80%	0.796	S	S	*	*			trans	-104.7	113.7	160.3	-86.3	179.7	175.9	170.3	0	108.7
14	S	36.9	Very low	32.6	Very low	106 Å²	106	156.7 Å²	156.7	74%	0.741	80%	0.796	S	S	*	*			trans	-109.1	112.2	159.9	49.1	0	0	0	0	107.9
15	L	35.3	Very low	32.7	Very low	163 Å²	163	154.8 Å²	154.8	85%	0.853	80%	0.8	S	S	*	*				62.5	88.4	95.4	-69.5	159.7	0	0	0	112
16	K	29.8	Very low	32.8	Very low	193 Å²	193	155.9 Å²	155.9	84%	0.839	80%	0.802	S	S	*	*				50.7	129.8	87	-100.5	-175	-178.4	178.1	0	116.3
17	K	30.9	Very low	33	Very low	185 Å²	185	153.8 Å²	153.8	80%	0.804	81%	0.807	S	S	*	*			trans	83	135.9	160.1	-68.8	179.3	174.9	-177.3	0	114.8
18	T	32.4	Very low	33.2	Very low	115 Å²	115	149.9 Å²	149.9	71%	0.706	81%	0.805	S	S	*	*			cis	-179.1	154.5	28.2	4.1	0	0	0	0	110.4
19	R	33.2	Very low	33.4	Very low	213 Å²	213	151 Å²	151	80%	0.804	81%	0.811	S	S	*	*			trans	68.7	116.9	140.4	-72.2	-179.7	151.4	167.2	-5.9	120.3
20	D	31.6	Very low	33.5	Very low	144 Å²	144	148.4 Å²	148.4	77%	0.77	80%	0.8	S	S	*	*				85.3	111.7	84.4	-68.8	-15.3	0	0	0	112.4
21	S	37.6	Very low	33.6	Very low	124 Å²	124	151.5 Å²	151.5	87%	0.867	81%	0.806	S	S	*	*			trans	-170.2	112.6	142.3	52.8	0	0	0	0	110.3
22	E	34.4	Very low	33.9	Very low	171 Å²	171	148.5 Å²	148.5	80%	0.799	80%	0.798	S	S	*	*			trans	-64.3	152.4	172.3	-74	164.8	146.7	0	0	114.1
23	E	31.1	Very low	33.8	Very low	162 Å²	162	149.8 Å²	149.8	76%	0.757	80%	0.795	S	S	*	*			trans	57.5	120.9	135	-67.5	-175.2	160.7	0	0	120.3
24	D	35.3	Very low	34.1	Very low	142 Å²	142	147.2 Å²	147.2	76%	0.759	79%	0.791	S	S	*	*				166.2	154.2	107.3	-101.6	-34.6	0	0	0	114.1
25	L	37.4	Very low	33.9	Very low	159 Å²	159	147 Å²	147	83%	0.832	79%	0.79	S	S	*	*			trans	88.6	89.3	164.9	-58.2	153	0	0	0	117
26	K	36.4	Very low	33.8	Very low	192 Å²	192	145 Å²	145	84%	0.835	79%	0.787	S	S	*	*				59.1	107.5	75	-76.3	-175	177.4	170.8	0	117
27	N	31.6	Very low	34	Very low	174 Å²	174	140.4 Å²	140.4	93%	0.93	79%	0.785	S	S	*	*			trans	23.3	130.3	135.4	-66	-8.6	0	0	0	121.2
28	G	36.2	Very low	34.1	Very low	74 Å²	74	139.1 Å²	139.1	76%	0.763	79%	0.785	S	S	*	*			trans	168.2	82.9	160	0	0	0	0	0	109.3
29	D	34.5	Very low	34.1	Very low	155 Å²	155	140.9 Å²	140.9	83%	0.829	79%	0.789	S	S	*	*				79.8	128	86.3	-144	9.6	0	0	0	115.5
30	S	35.5	Very low	33.9	Very low	87 Å²	87	135.3 Å²	135.3	61%	0.608	78%	0.78	S	S	*	*			trans	67.1	113.1	154.2	67.4	0	0	0	0	123.5
31	T	32.9	Very low	33.8	Very low	130 Å²	130	136.7 Å²	136.7	80%	0.798	79%	0.787	S	S	*	*				56.6	118	126.4	62.9	0	0	0	0	121.4
32	S	35	Very low	33.6	Very low	105 Å²	105	137.2 Å²	137.2	73%	0.734	79%	0.785	S	S	*	*				161.8	132.2	97.9	61.7	0	0	0	0	112.5
33	D	32.2	Very low	33.4	Very low	146 Å²	146	131.5 Å²	131.5	78%	0.781	77%	0.772	S	S	*	*			trans	53.2	108.9	147.6	-64.1	-18.9	0	0	0	121.1
34	N	35.9	Very low	33.2	Very low	151 Å²	151	131.5 Å²	131.5	81%	0.807	78%	0.776	S	S	*	*				-173.5	113.6	107.2	-97.5	-43.1	0	0	0	112.6
35	S	32.2	Very low	32.9	Very low	102 Å²	102	130.3 Å²	130.3	71%	0.713	77%	0.774	S	S	*	*			trans	53.4	112	138.6	-46.4	0	0	0	0	119.9
36	P	34.5	Very low	32.4	Very low	121 Å²	121	127.9 Å²	127.9	79%	0.786	77%	0.77	S	S	*	*			trans	-78.2	125	165.4	32.4	-27.9	0	0	0	109.6	I38	P36-I38 PolarHBondContact O-N 3.1Å; P36-I38 VanDerWaalsContact O-N 3.1Å
37	A	33.6	Very low	32.1	Very low	96 Å²	96	124.4 Å²	124.4	79%	0.793	77%	0.767	S	S	*	*			trans	-67	109.2	167.9	0	0	0	0	0	109.1	I39	A37-I39 PolarHBondContact O-N 3.1Å; A37-I39 VanDerWaalsContact O-N 3.1Å
38	I	31.9	Very low	32.2	Very low	158 Å²	158	120.1 Å²	120.1	81%	0.81	76%	0.756	S	S	*	*			trans	-59.3	106.7	170.1	-64.6	166	0	0	0	107.7	P36	P36-I38 PolarHBondContact O-N 3.1Å; P36-I38 VanDerWaalsContact O-N 3.1Å
39	I	33.5	Very low	32.3	Very low	153 Å²	153	123.3 Å²	123.3	79%	0.785	76%	0.755	S	S	*	*			trans	-71.7	124.5	163.9	-59.7	174.6	0	0	0	106	A37 N41	A37-I39 PolarHBondContact O-N 3.1Å; A37-I39 VanDerWaalsContact O-N 3.1Å; I39-N41 PolarHBondContact O-N 3.2Å
40	P	29.5	Very low	32.5	Very low	96 Å²	96	125.4 Å²	125.4	62%	0.623	76%	0.76	S	S	*	*			trans	-65.9	124.4	-178.2	24.7	-28.6	0	0	0	108.8	V42	P40-V42 VanDerWaalsContact C-N 3.31Å; P40-V42 PolarHBondContact O-N 2.88Å
41	N	28.5	Very low	33.4	Very low	172 Å²	172	124.8 Å²	124.8	92%	0.92	75%	0.749	S	S	*	*			trans	-50.8	100.9	155.7	-108.4	-16.9	0	0	0	107.2	I39 G43	I39-N41 PolarHBondContact O-N 3.2Å; N41-G43 PolarHBondContact O-N 3.47Å
42	V	33.7	Very low	34.9	Very low	136 Å²	136	121.6 Å²	121.6	82%	0.824	73%	0.727	S	S	*	*			trans	-73.8	83.8	167.4	-179	0	0	0	0	106.1	P40 L44	P40-V42 VanDerWaalsContact C-N 3.31Å; P40-V42 PolarHBondContact O-N 2.88Å; V42-L44 PolarHBondContact O-N 2.85Å
43	G	29.2	Very low	36.7	Very low	51 Å²	51	122 Å²	122	53%	0.526	73%	0.727	S	S	.	*			trans	-58.9	129.5	165.9	0	0	0	0	0	109.8	N41	N41-G43 PolarHBondContact O-N 3.47Å
44	L	28.4	Very low	39	Very low	161 Å²	161	119.2 Å²	119.2	84%	0.843	71%	0.712	S	S	*	*	S	Bend		60.3	105.3	125	-70.2	155	0	0	0	117.1	V42	V42-L44 PolarHBondContact O-N 2.85Å
45	V	29	Very low	41.4	Very low	117 Å²	117	116 Å²	116	71%	0.709	69%	0.691	S	S	*	*			trans	69.8	79.5	137.7	-163	0	0	0	0	114.8
46	S	26.2	Very low	44.1	Very low	109 Å²	109	111.2 Å²	111.2	76%	0.762	66%	0.657	S	S	*	*			trans	-55.3	136	136.6	-49.7	0	0	0	0	107.2	A48	S46-A48 PolarHBondContact O-N 2.96Å
47	P	29.7	Very low	46.5	Very low	118 Å²	118	106.8 Å²	106.8	77%	0.766	63%	0.628	S	S	*	*			trans	-60.4	104.6	178.2	24.9	-30.6	0	0	0	106.8	L49	P47-L49 PolarHBondContact O-N 3.39Å
48	A	34.6	Very low	49	Very low	84 Å²	84	103.5 Å²	103.5	69%	0.694	60%	0.598	S	S	*	*			trans	-52.2	115.9	163	0	0	0	0	0	103.9	S46 Q50	S46-A48 PolarHBondContact O-N 2.96Å; A48-Q50 PolarHBondContact O-N 2.87Å
49	L	38.7	Very low	51.6	Low	142 Å²	142	98.2 Å²	98.2	74%	0.743	57%	0.572	S	S	*	*			trans	-39.5	116.1	159.4	-90.3	131.3	0	0	0	104.5	P47 I51	P47-L49 PolarHBondContact O-N 3.39Å; L49-I51 HydrophobicContact CB-CG1 3.96Å; L49-I51 WeakPolarHBondContact O-CG1 3.43Å; L49-I51 PolarHBondContact O-N 2.79Å
50	Q	37.4	Very low	54.2	Low	198 Å²	198	96.4 Å²	96.4	93%	0.925	56%	0.562	S	S	*	*			trans	-63.5	79.5	169.1	-80.5	-177.8	-11.4	0	0	105.2	A48 D52	A48-Q50 PolarHBondContact O-N 2.87Å; Q50-D52 PolarHBondContact O-N 3.06Å
51	I	55.1	Low	57	Low	75 Å²	75	97 Å²	97	39%	0.385	56%	0.56	S	S	.	*			trans	-68.6	107.7	172.9	-68.2	167.8	0	0	0	102.3	L49 P53 P57	L49-I51 HydrophobicContact CB-CG1 3.96Å; L49-I51 WeakPolarHBondContact O-CG1 3.43Å; L49-I51 PolarHBondContact O-N 2.79Å; I51-P53 WeakPolarHBondContact O-CD 3.31Å; I51-P57 HydrophobicContact CD1-CB 3.96Å; I51-P57 HydrophobicContact CG1-CB 4.45Å; I51-P57 HydrophobicContact CG2-CB 3.81Å
52	D	64.6	Low	60	Low	63 Å²	63	93.1 Å²	93.1	34%	0.337	54%	0.543	S	S	.	.			trans	-44.8	116.6	168.4	176.2	-6.4	0	0	0	107.3	Q50 N54 K55	Q50-D52 PolarHBondContact O-N 3.06Å; D52-N54 PolarHBondContact O-N 2.75Å; D52-N54 WeakPolarHBondContact OD1-CB 3.1Å; D52-N54 PolarHBondContact OD1-N 3.31Å; D52-N54 PolarHBondContact OD1-ND2 2.81Å; D52-K55 HydrophobicContact CB-CB 4.19Å; D52-K55 HydrophobicContact CB-CD 3.93Å; D52-K55 HydrophobicContact CB-CG 3.94Å; D52-K55 PolarHBondContact O-N 3.23Å; D52-K55 VanDerWaalsContact OD2-CE 3.31Å; D52-K55 WeakPolarHBondContact OD2-CE 3.39Å
53	P	72.4	Confident	62.8	Low	112 Å²	112	88.8 Å²	88.8	73%	0.727	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-15.1	-174.6	23.4	-33.3	0	0	0	112.2	I51	I51-P53 WeakPolarHBondContact O-CD 3.31Å
54	N	79.7	Confident	65.8	Low	88 Å²	88	88.2 Å²	88.2	47%	0.471	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.2	175.2	-63.2	-59.1	0	0	0	114.4	D52 P62 Y63	D52-N54 PolarHBondContact O-N 2.75Å; D52-N54 WeakPolarHBondContact OD1-CB 3.1Å; D52-N54 PolarHBondContact OD1-N 3.31Å; D52-N54 PolarHBondContact OD1-ND2 2.81Å; N54-P62 WeakPolarHBondContact O-CA 3.19Å; N54-Y63 PolarHBondContact O-N 2.81Å
55	K	86.3	Confident	68.9	Low	84 Å²	84	84 Å²	84	37%	0.365	49%	0.49	S	S	.	.	B	Isolated β-bridge	trans	-102.1	134.1	179.3	-67.9	-177.8	-174.1	176.8	0	111.2	D52 P57 L61	D52-K55 HydrophobicContact CB-CB 4.19Å; D52-K55 HydrophobicContact CB-CD 3.93Å; D52-K55 HydrophobicContact CB-CG 3.94Å; D52-K55 PolarHBondContact O-N 3.23Å; D52-K55 VanDerWaalsContact OD2-CE 3.31Å; D52-K55 WeakPolarHBondContact OD2-CE 3.39Å; K55-P57 WeakPolarHBondContact O-CD 3.37Å; K55-L61 CarbonylContact C-O 3.55Å; K55-L61 WeakPolarHBondContact CA-O 3.47Å
56	N	88.8	Confident	71.8	Confident	2 Å²	2	84.6 Å²	84.6	1%	0.011	48%	0.479	C	S	.	.			trans	-63.5	116.2	168.1	-175.2	-21.3	0	0	0	108.8	L58 T59 M60 L61 Y63 M154 D155	N56-L58 PolarHBondContact O-N 3.17Å; N56-L58 VanDerWaalsContact O-N 3.14Å; N56-L58 WeakPolarHBondContact OD1-CB 3.34Å; N56-L58 PolarHBondContact OD1-N 2.82Å; N56-T59 WeakPolarHBondContact CB-OG1 3.45Å; N56-T59 PolarHBondContact O-N 3.37Å; N56-M60 WeakPolarHBondContact O-CA 3.31Å; N56-M60 PolarHBondContact O-N 3.17Å; N56-L61 WeakPolarHBondContact CB-O 3.13Å; N56-L61 PolarHBondContact N-O 2.8Å; N56-Y63 VanDerWaalsContact CA-CZ 3.48Å; N56-Y63 HydrophobicContact CB-CD1 3.77Å; N56-Y63 HydrophobicContact CB-CE1 3.51Å; N56-Y63 HydrophobicContact CB-CG 4.41Å; N56-M154 PolarHBondContact ND2-O 3.49Å; N56-D155 PolarHBondContact ND2-O 2.84Å
57	P	86	Confident	75	Confident	27 Å²	27	81.1 Å²	81.1	18%	0.175	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-3.9	-173.7	35	-41.4	0	0	0	113.9	I51 K55 Y63 R119	I51-P57 HydrophobicContact CD1-CB 3.96Å; I51-P57 HydrophobicContact CG1-CB 4.45Å; I51-P57 HydrophobicContact CG2-CB 3.81Å; K55-P57 WeakPolarHBondContact O-CD 3.37Å; P57-Y63 WeakPolarHBondContact CD-OH 3.44Å; P57-R119 VanDerWaalsContact CG-CZ 3.46Å
58	L	85.8	Confident	78	Confident	28 Å²	28	82.1 Å²	82.1	15%	0.147	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-38.6	173.5	-62	178	0	0	0	111.9	N56 M154 V156 E161 L177	N56-L58 PolarHBondContact O-N 3.17Å; N56-L58 VanDerWaalsContact O-N 3.14Å; N56-L58 WeakPolarHBondContact OD1-CB 3.34Å; N56-L58 PolarHBondContact OD1-N 2.82Å; L58-M154 HydrophobicContact CD1-CE 3.54Å; L58-V156 HydrophobicContact CB-CG1 4.26Å; L58-V156 HydrophobicContact CD1-CG1 4.03Å; L58-E161 HydrophobicContact CB-CG 4.26Å; L58-E161 HydrophobicContact CD1-CB 4.38Å; L58-L177 HydrophobicContact CD2-CD1 3.67Å
59	T	87.4	Confident	80.7	Confident	46 Å²	46	84.4 Å²	84.4	28%	0.282	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-13.9	-176.6	63.3	0	0	0	0	113.1	N56 L61 V156	N56-T59 WeakPolarHBondContact CB-OG1 3.45Å; N56-T59 PolarHBondContact O-N 3.37Å; T59-L61 PolarHBondContact O-N 3.06Å; T59-L61 PolarHBondContact OG1-N 2.93Å; T59-V156 HydrophobicContact CG2-CG1 4.02Å
60	M	86.2	Confident	83.1	Confident	115 Å²	115	78.3 Å²	78.3	57%	0.567	40%	0.402	S	S	*	.			trans	59.5	15.8	-170.6	-56.4	-62.3	-75.6	0	0	114.3	N56	N56-M60 WeakPolarHBondContact O-CA 3.31Å; N56-M60 PolarHBondContact O-N 3.17Å
61	L	90.4	Very high	85.7	Confident	110 Å²	110	72 Å²	72	58%	0.576	38%	0.375	S	S	*	.	S	Bend	trans	-97.7	153.2	176.4	-61.5	176.2	0	0	0	110.9	K55 N56 T59	K55-L61 CarbonylContact C-O 3.55Å; K55-L61 WeakPolarHBondContact CA-O 3.47Å; N56-L61 WeakPolarHBondContact CB-O 3.13Å; N56-L61 PolarHBondContact N-O 2.8Å; T59-L61 PolarHBondContact O-N 3.06Å; T59-L61 PolarHBondContact OG1-N 2.93Å
62	P	91	Very high	87.4	Confident	89 Å²	89	72.7 Å²	72.7	58%	0.578	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	-57.5	140.2	171.7	-22.4	33.5	0	0	0	111.9	N54 S64	N54-P62 WeakPolarHBondContact O-CA 3.19Å; P62-S64 PolarHBondContact O-N 3.17Å
63	Y	91.8	Very high	88.5	Confident	45 Å²	45	76.5 Å²	76.5	18%	0.176	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-60.8	136.4	175.8	-75.8	-67.6	0	0	0	112.1	N54 N56 P57 Y67 D155	N54-Y63 PolarHBondContact O-N 2.81Å; N56-Y63 VanDerWaalsContact CA-CZ 3.48Å; N56-Y63 HydrophobicContact CB-CD1 3.77Å; N56-Y63 HydrophobicContact CB-CE1 3.51Å; N56-Y63 HydrophobicContact CB-CG 4.41Å; P57-Y63 WeakPolarHBondContact CD-OH 3.44Å; Y63-Y67 AromaticContact CD1-CD1 3.39Å; Y63-Y67 HydrophobicContact CD1-CD1 3.39Å; Y63-Y67 AromaticContact CD1-CD2 3.76Å; Y63-Y67 HydrophobicContact CD1-CD2 3.76Å; Y63-Y67 AromaticContact CD1-CE1 3.48Å; Y63-Y67 HydrophobicContact CD1-CE1 3.48Å; Y63-Y67 VanDerWaalsContact CD1-CE1 3.48Å; Y63-Y67 AromaticContact CD1-CE2 3.85Å; Y63-Y67 HydrophobicContact CD1-CE2 3.85Å; Y63-Y67 AromaticContact CD1-CG 3.53Å; Y63-Y67 HydrophobicContact CD1-CG 3.53Å; Y63-Y67 AromaticContact CD1-CZ 3.71Å; Y63-Y67 HydrophobicContact CD2-CD1 4.3Å; Y63-Y67 AromaticContact CD2-CE1 3.98Å; Y63-Y67 HydrophobicContact CD2-CE1 3.98Å; Y63-Y67 HydrophobicContact CE1-CD1 4.06Å; Y63-Y67 AromaticContact CE1-CD2 3.97Å; Y63-Y67 HydrophobicContact CE1-CD2 3.97Å; Y63-Y67 AromaticContact CE1-CE1 3.71Å; Y63-Y67 HydrophobicContact CE1-CE1 3.71Å; Y63-Y67 AromaticContact CE1-CE2 3.61Å; Y63-Y67 HydrophobicContact CE1-CE2 3.61Å; Y63-Y67 HydrophobicContact CE1-CG 4.17Å; Y63-Y67 AromaticContact CE1-CZ 3.47Å; Y63-Y67 VanDerWaalsContact CE1-CZ 3.47Å; Y63-Y67 HydrophobicContact CE2-CE1 4.19Å; Y63-Y67 AromaticContact CG-CD1 3.52Å; Y63-Y67 HydrophobicContact CG-CD1 3.52Å; Y63-Y67 AromaticContact CG-CE1 3.61Å; Y63-Y67 HydrophobicContact CG-CE1 3.61Å; Y63-Y67 HydrophobicContact CG-CG 4.09Å; Y63-Y67 AromaticContact CZ-CZ 3.82Å; Y63-D155 WeakPolarHBondContact CA-OD2 3.46Å; Y63-D155 HydrophobicContact CD1-CB 4.19Å
64	S	93.2	Very high	89.3	Confident	39 Å²	39	71.9 Å²	71.9	27%	0.273	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-66.8	158.6	177.4	74.8	0	0	0	0	113	P62 R66 Y67 R68 D155	P62-S64 PolarHBondContact O-N 3.17Å; S64-R66 PolarHBondContact O-N 3.07Å; S64-Y67 WeakPolarHBondContact O-CB 3.46Å; S64-Y67 PolarHBondContact O-N 3.24Å; S64-Y67 PolarHBondContact OG-N 2.59Å; S64-Y67 VanDerWaalsContact OG-N 3.09Å; S64-R68 PolarHBondContact O-N 3.26Å; S64-D155 VanDerWaalsContact CB-OD1 3.28Å; S64-D155 WeakPolarHBondContact CB-OD1 3.31Å; S64-D155 PolarHBondContact N-OD2 3.2Å; S64-D155 PolarHBondContact OG-OD1 2.79Å; S64-D155 PolarHBondContact OG-OD2 3.19Å
65	A	92.4	Very high	89.8	Confident	74 Å²	74	70.2 Å²	70.2	61%	0.612	36%	0.359	S	S	*	.	H	α-helix	trans	-59.8	-34.3	172.4	0	0	0	0	0	111.8	R68 Q69	A65-R68 PolarHBondContact O-N 3.09Å; A65-Q69 WeakPolarHBondContact O-CG 3.38Å; A65-Q69 PolarHBondContact O-N 3.05Å; A65-Q69 VanDerWaalsContact O-N 3.14Å
66	R	91.1	Very high	89.9	Confident	129 Å²	129	72.3 Å²	72.3	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-63.8	-43.7	176.6	-172.7	177.2	-177	-179.3	0.6	111.4	S64 R68 Q69 L70 E152	S64-R66 PolarHBondContact O-N 3.07Å; R66-R68 VanDerWaalsContact C-N 3.32Å; R66-R68 PolarHBondContact O-N 3.06Å; R66-Q69 PolarHBondContact O-N 2.76Å; R66-L70 HydrophobicContact CG-CD1 4.26Å; R66-L70 HydrophobicContact CG-CG 4.48Å; R66-L70 WeakPolarHBondContact O-CG 3.39Å; R66-L70 PolarHBondContact O-N 2.87Å; R66-E152 VanDerWaalsContact CZ-CD 3.45Å; R66-E152 IonicContact CZ-OE1 2.65Å; R66-E152 VanDerWaalsContact CZ-OE1 3.32Å; R66-E152 IonicContact CZ-OE2 2.58Å; R66-E152 IonicContact NH1-OE1 2.96Å; R66-E152 PolarHBondContact NH1-OE1 3.32Å; R66-E152 IonicContact NH2-OE1 3.51Å; R66-E152 PolarHBondContact NH2-OE1 3.01Å; R66-E152 IonicContact NH2-OE2 2.76Å; R66-E152 PolarHBondContact NH2-OE2 3.15Å
67	Y	92.5	Very high	89.8	Confident	36 Å²	36	74.3 Å²	74.3	14%	0.141	38%	0.38	C	S	.	.	H	α-helix	trans	-54.2	-48.6	174.4	169.9	-93.7	0	0	0	111.6	Y63 S64 Q69 L70 L71 E153 D155	Y63-Y67 AromaticContact CD1-CD1 3.39Å; Y63-Y67 HydrophobicContact CD1-CD1 3.39Å; Y63-Y67 AromaticContact CD1-CD2 3.76Å; Y63-Y67 HydrophobicContact CD1-CD2 3.76Å; Y63-Y67 AromaticContact CD1-CE1 3.48Å; Y63-Y67 HydrophobicContact CD1-CE1 3.48Å; Y63-Y67 VanDerWaalsContact CD1-CE1 3.48Å; Y63-Y67 AromaticContact CD1-CE2 3.85Å; Y63-Y67 HydrophobicContact CD1-CE2 3.85Å; Y63-Y67 AromaticContact CD1-CG 3.53Å; Y63-Y67 HydrophobicContact CD1-CG 3.53Å; Y63-Y67 AromaticContact CD1-CZ 3.71Å; Y63-Y67 HydrophobicContact CD2-CD1 4.3Å; Y63-Y67 AromaticContact CD2-CE1 3.98Å; Y63-Y67 HydrophobicContact CD2-CE1 3.98Å; Y63-Y67 HydrophobicContact CE1-CD1 4.06Å; Y63-Y67 AromaticContact CE1-CD2 3.97Å; Y63-Y67 HydrophobicContact CE1-CD2 3.97Å; Y63-Y67 AromaticContact CE1-CE1 3.71Å; Y63-Y67 HydrophobicContact CE1-CE1 3.71Å; Y63-Y67 AromaticContact CE1-CE2 3.61Å; Y63-Y67 HydrophobicContact CE1-CE2 3.61Å; Y63-Y67 HydrophobicContact CE1-CG 4.17Å; Y63-Y67 AromaticContact CE1-CZ 3.47Å; Y63-Y67 VanDerWaalsContact CE1-CZ 3.47Å; Y63-Y67 HydrophobicContact CE2-CE1 4.19Å; Y63-Y67 AromaticContact CG-CD1 3.52Å; Y63-Y67 HydrophobicContact CG-CD1 3.52Å; Y63-Y67 AromaticContact CG-CE1 3.61Å; Y63-Y67 HydrophobicContact CG-CE1 3.61Å; Y63-Y67 HydrophobicContact CG-CG 4.09Å; Y63-Y67 AromaticContact CZ-CZ 3.82Å; S64-Y67 WeakPolarHBondContact O-CB 3.46Å; S64-Y67 PolarHBondContact O-N 3.24Å; S64-Y67 PolarHBondContact OG-N 2.59Å; S64-Y67 VanDerWaalsContact OG-N 3.09Å; Y67-Q69 PolarHBondContact O-N 2.95Å; Y67-L70 PolarHBondContact O-N 2.94Å; Y67-L71 HydrophobicContact CE1-CD2 4.03Å; Y67-L71 WeakPolarHBondContact O-CB 3.08Å; Y67-L71 PolarHBondContact O-N 2.85Å; Y67-E153 VanDerWaalsContact CD2-O 3.23Å; Y67-E153 WeakPolarHBondContact CD2-O 3.34Å; Y67-E153 VanDerWaalsContact CE2-O 3.27Å; Y67-E153 WeakPolarHBondContact CE2-O 3.3Å; Y67-D155 HydrophobicContact CD2-CB 3.95Å; Y67-D155 HydrophobicContact CG-CB 4.24Å
68	R	92	Very high	89.9	Confident	138 Å²	138	73.7 Å²	73.7	52%	0.521	38%	0.376	S	S	.	.	H	α-helix	trans	-62.3	-41.7	-179.1	-62.3	-178.4	-172.8	-172.9	-1.6	112.2	S64 A65 R66 L71 V72	S64-R68 PolarHBondContact O-N 3.26Å; A65-R68 PolarHBondContact O-N 3.09Å; R66-R68 VanDerWaalsContact C-N 3.32Å; R66-R68 PolarHBondContact O-N 3.06Å; R68-L71 PolarHBondContact O-N 2.99Å; R68-V72 WeakPolarHBondContact O-CG2 3.35Å; R68-V72 PolarHBondContact O-N 3.1Å
69	Q	91.3	Very high	90.1	Very high	132 Å²	132	72.4 Å²	72.4	62%	0.617	37%	0.369	S	S	*	.	H	α-helix	trans	-62.8	-41.9	175.5	-70.4	174.6	-2	0	0	112.1	A65 R66 Y67 K73	A65-Q69 WeakPolarHBondContact O-CG 3.38Å; A65-Q69 PolarHBondContact O-N 3.05Å; A65-Q69 VanDerWaalsContact O-N 3.14Å; R66-Q69 PolarHBondContact O-N 2.76Å; Y67-Q69 PolarHBondContact O-N 2.95Å; Q69-K73 PolarHBondContact O-N 3.47Å
70	L	90.2	Very high	90.3	Very high	15 Å²	15	73.2 Å²	73.2	8%	0.079	37%	0.369	C	S	.	.	H	α-helix	trans	-68.1	-39.5	177.4	-68.3	179.8	0	0	0	111.7	R66 Y67 V72 K73 R74 E152 E153	R66-L70 HydrophobicContact CG-CD1 4.26Å; R66-L70 HydrophobicContact CG-CG 4.48Å; R66-L70 WeakPolarHBondContact O-CG 3.39Å; R66-L70 PolarHBondContact O-N 2.87Å; Y67-L70 PolarHBondContact O-N 2.94Å; L70-V72 VanDerWaalsContact C-N 3.32Å; L70-V72 PolarHBondContact O-N 2.87Å; L70-K73 PolarHBondContact O-N 2.85Å; L70-K73 VanDerWaalsContact O-N 3.13Å; L70-R74 WeakPolarHBondContact O-CB 3.32Å; L70-R74 WeakPolarHBondContact O-CD 3.34Å; L70-R74 WeakPolarHBondContact O-CG 3.34Å; L70-R74 PolarHBondContact O-N 3.28Å; L70-E152 HydrophobicContact CD1-CB 4.21Å; L70-E153 HydrophobicContact CD1-CG 4.28Å
71	L	91.2	Very high	90.6	Very high	65 Å²	65	73.8 Å²	73.8	34%	0.34	37%	0.37	S	S	.	.	H	α-helix	trans	-58.4	-43.4	179	-176.5	62.4	0	0	0	111.9	Y67 R68 K73 R74 S75	Y67-L71 HydrophobicContact CE1-CD2 4.03Å; Y67-L71 WeakPolarHBondContact O-CB 3.08Å; Y67-L71 PolarHBondContact O-N 2.85Å; R68-L71 PolarHBondContact O-N 2.99Å; L71-K73 VanDerWaalsContact C-N 3.33Å; L71-K73 PolarHBondContact O-N 3.3Å; L71-R74 PolarHBondContact O-N 2.87Å; L71-S75 PolarHBondContact O-N 3.34Å; L71-S75 PolarHBondContact O-OG 2.77Å
72	V	91.4	Very high	90.8	Very high	89 Å²	89	71.4 Å²	71.4	54%	0.539	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-38.8	176.2	175.2	0	0	0	0	111.9	R68 L70 S75 Q76	R68-V72 WeakPolarHBondContact O-CG2 3.35Å; R68-V72 PolarHBondContact O-N 3.1Å; L70-V72 VanDerWaalsContact C-N 3.32Å; L70-V72 PolarHBondContact O-N 2.87Å; V72-S75 PolarHBondContact O-OG 3.11Å; V72-Q76 WeakPolarHBondContact O-CG 3.18Å
73	K	87.5	Confident	90.9	Very high	143 Å²	143	71.5 Å²	71.5	62%	0.622	34%	0.343	S	S	*	.	H	α-helix	trans	-70.1	-38.5	176.5	-70.6	-175.9	176.6	-173.3	0	111.9	Q69 L70 L71 Q76	Q69-K73 PolarHBondContact O-N 3.47Å; L70-K73 PolarHBondContact O-N 2.85Å; L70-K73 VanDerWaalsContact O-N 3.13Å; L71-K73 VanDerWaalsContact C-N 3.33Å; L71-K73 PolarHBondContact O-N 3.3Å; K73-Q76 PolarHBondContact O-N 3.22Å
74	R	89.9	Confident	90.9	Very high	16 Å²	16	75.6 Å²	75.6	6%	0.06	37%	0.368	C	S	.	.	H	α-helix	trans	-72.3	-32.5	-177.6	-68.4	162	60	-177.3	2.4	113	L70 L71 Q76 L77 Q112 E153	L70-R74 WeakPolarHBondContact O-CB 3.32Å; L70-R74 WeakPolarHBondContact O-CD 3.34Å; L70-R74 WeakPolarHBondContact O-CG 3.34Å; L70-R74 PolarHBondContact O-N 3.28Å; L71-R74 PolarHBondContact O-N 2.87Å; R74-Q76 PolarHBondContact O-N 3.34Å; R74-L77 HydrophobicContact CB-CD1 4.38Å; R74-L77 VanDerWaalsContact O-CB 3.31Å; R74-L77 WeakPolarHBondContact O-CB 3.48Å; R74-L77 WeakPolarHBondContact O-CG 3.4Å; R74-L77 PolarHBondContact O-N 2.98Å; R74-L77 VanDerWaalsContact O-N 3.12Å; R74-Q112 VanDerWaalsContact CZ-OE1 3.3Å; R74-Q112 VanDerWaalsContact NH2-NE2 3.1Å; R74-E153 VanDerWaalsContact CD-CD 3.43Å; R74-E153 WeakPolarHBondContact CD-OE2 3.42Å; R74-E153 IonicContact CZ-OE2 3.92Å; R74-E153 VanDerWaalsContact CZ-OE2 3.31Å; R74-E153 IonicContact NE-OE2 3.22Å; R74-E153 PolarHBondContact NE-OE2 3.36Å; R74-E153 PolarHBondContact NH1-O 3.44Å; R74-E153 IonicContact NH1-OE2 3.8Å; R74-E153 IonicContact NH2-OE2 3.81Å
75	S	89.5	Confident	91	Very high	53 Å²	53	78.6 Å²	78.6	37%	0.371	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.4	176.3	62.2	0	0	0	0	113.3	L71 V72	L71-S75 PolarHBondContact O-N 3.34Å; L71-S75 PolarHBondContact O-OG 2.77Å; V72-S75 PolarHBondContact O-OG 3.11Å
76	Q	87.9	Confident	91.1	Very high	128 Å²	128	75.1 Å²	75.1	60%	0.598	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.5	175.8	-61.6	172.8	-0.2	0	0	113.2	V72 K73 R74 R260	V72-Q76 WeakPolarHBondContact O-CG 3.18Å; K73-Q76 PolarHBondContact O-N 3.22Å; R74-Q76 PolarHBondContact O-N 3.34Å; Q76-R260 PolarHBondContact O-NH1 3.47Å
77	L	86.8	Confident	91.2	Very high	44 Å²	44	71.4 Å²	71.4	23%	0.23	34%	0.339	C	S	.	.	S	Bend	trans	-69.4	141.4	179.6	-67.9	171.8	0	0	0	111	R74 V79 F80 Q109	R74-L77 HydrophobicContact CB-CD1 4.38Å; R74-L77 VanDerWaalsContact O-CB 3.31Å; R74-L77 WeakPolarHBondContact O-CB 3.48Å; R74-L77 WeakPolarHBondContact O-CG 3.4Å; R74-L77 PolarHBondContact O-N 2.98Å; R74-L77 VanDerWaalsContact O-N 3.12Å; L77-V79 VanDerWaalsContact C-N 3.25Å; L77-V79 HydrophobicContact CB-CG2 4.33Å; L77-V79 PolarHBondContact O-N 3.43Å; L77-V79 VanDerWaalsContact O-N 3.13Å; L77-F80 VanDerWaalsContact O-CB 3.3Å; L77-F80 WeakPolarHBondContact O-CB 3.44Å; L77-F80 PolarHBondContact O-N 3.07Å; L77-Q109 HydrophobicContact CD1-CG 3.85Å
78	P	88	Confident	91.3	Very high	14 Å²	14	75.3 Å²	75.3	9%	0.091	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-52.9	-37.2	-177.8	-28.5	33.2	0	0	0	114.9	F80 S104 V257 R260	P78-F80 PolarHBondContact O-N 3.33Å; P78-S104 WeakPolarHBondContact CD-O 3.34Å; P78-V257 HydrophobicContact CB-CG1 3.95Å; P78-R260 HydrophobicContact CG-CB 3.99Å; P78-R260 HydrophobicContact CG-CG 3.93Å
79	V	91.6	Very high	91.4	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-62.4	-29.1	179.3	-67.7	0	0	0	0	112.7	L77 E81 Y82 S104 K106 Q109 W113 V257	L77-V79 VanDerWaalsContact C-N 3.25Å; L77-V79 HydrophobicContact CB-CG2 4.33Å; L77-V79 PolarHBondContact O-N 3.43Å; L77-V79 VanDerWaalsContact O-N 3.13Å; V79-E81 VanDerWaalsContact C-N 3.26Å; V79-E81 PolarHBondContact O-N 3.47Å; V79-Y82 WeakPolarHBondContact O-CA 3.44Å; V79-Y82 WeakPolarHBondContact O-CB 3.47Å; V79-Y82 PolarHBondContact O-N 3.35Å; V79-S104 VanDerWaalsContact CG1-O 3.26Å; V79-S104 WeakPolarHBondContact CG1-O 3.1Å; V79-S104 VanDerWaalsContact CG2-O 3.27Å; V79-S104 WeakPolarHBondContact CG2-O 3.44Å; V79-S104 PolarHBondContact N-O 3.44Å; V79-S104 VanDerWaalsContact N-O 3.11Å; V79-K106 HydrophobicContact CG1-CG 4.28Å; V79-Q109 HydrophobicContact CG2-CB 3.86Å; V79-Q109 HydrophobicContact CG2-CG 3.81Å; V79-W113 HydrophobicContact CB-CH2 4.01Å; V79-W113 HydrophobicContact CG2-CH2 3.98Å; V79-W113 HydrophobicContact CG2-CZ2 4.49Å; V79-W113 VanDerWaalsContact O-CH2 3.28Å; V79-W113 WeakPolarHBondContact O-CH2 3.4Å; V79-V257 HydrophobicContact CB-CG1 4.5Å; V79-V257 HydrophobicContact CG1-CB 4.43Å; V79-V257 HydrophobicContact CG1-CG1 3.94Å; V79-V257 HydrophobicContact CG1-CG2 4.2Å
80	F	91.5	Very high	91.5	Very high	63 Å²	63	64 Å²	64	28%	0.276	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-62.4	-33.4	-170.2	-161.4	-88.4	0	0	0	112.5	L77 P78 Y82 R83 W113	L77-F80 VanDerWaalsContact O-CB 3.3Å; L77-F80 WeakPolarHBondContact O-CB 3.44Å; L77-F80 PolarHBondContact O-N 3.07Å; P78-F80 PolarHBondContact O-N 3.33Å; F80-Y82 PolarHBondContact O-N 3.18Å; F80-R83 WeakPolarHBondContact O-CB 3.15Å; F80-R83 PolarHBondContact O-N 3.49Å; F80-W113 HydrophobicContact CD2-CZ2 4.24Å
81	E	92.1	Very high	91.6	Very high	127 Å²	127	65 Å²	65	59%	0.593	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-63.2	-21.7	174.5	-65.4	179.5	173.2	0	0	113	V79 R260	V79-E81 VanDerWaalsContact C-N 3.26Å; V79-E81 PolarHBondContact O-N 3.47Å; E81-R260 IonicContact OE1-CZ 3.51Å; E81-R260 IonicContact OE1-NH2 2.73Å; E81-R260 PolarHBondContact OE1-NH2 2.91Å; E81-R260 IonicContact OE2-NH2 3.83Å
82	Y	93.3	Very high	91.6	Very high	61 Å²	61	68.4 Å²	68.4	24%	0.239	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-103.1	9.6	-177.7	-64.6	-95.7	0	0	0	112.7	V79 F80 D84 K85 F86 V257 P258	V79-Y82 WeakPolarHBondContact O-CA 3.44Å; V79-Y82 WeakPolarHBondContact O-CB 3.47Å; V79-Y82 PolarHBondContact O-N 3.35Å; F80-Y82 PolarHBondContact O-N 3.18Å; Y82-D84 PolarHBondContact O-N 3.07Å; Y82-K85 HydrophobicContact CD1-CD 4.29Å; Y82-K85 PolarHBondContact O-N 2.99Å; Y82-F86 WeakPolarHBondContact O-CB 3.29Å; Y82-F86 PolarHBondContact O-N 3.41Å; Y82-V257 HydrophobicContact CD2-CG1 4.11Å; Y82-V257 HydrophobicContact CD2-CG2 4.23Å; Y82-V257 HydrophobicContact CE2-CG1 4.32Å; Y82-V257 HydrophobicContact CG-CG2 4.2Å; Y82-P258 HydrophobicContact CE2-CG 4.31Å; Y82-P258 VanDerWaalsContact OH-CD 3.24Å; Y82-P258 WeakPolarHBondContact OH-CD 3.46Å; Y82-P258 WeakPolarHBondContact OH-CG 3.27Å
83	R	93.3	Very high	91.7	Very high	90 Å²	90	66.4 Å²	66.4	34%	0.34	32%	0.321	S	S	.	.	H	α-helix	trans	-55.6	-50.4	-177.4	-178.8	-177.3	-175.8	-159.7	2.7	112.4	F80 F86 V87 W113 D116	F80-R83 WeakPolarHBondContact O-CB 3.15Å; F80-R83 PolarHBondContact O-N 3.49Å; R83-F86 WeakPolarHBondContact O-CB 3.45Å; R83-F86 PolarHBondContact O-N 3.29Å; R83-V87 WeakPolarHBondContact O-CG2 3.3Å; R83-V87 PolarHBondContact O-N 3.32Å; R83-W113 HydrophobicContact CB-CD2 4.46Å; R83-W113 HydrophobicContact CB-CE3 4.42Å; R83-W113 HydrophobicContact CB-CH2 3.88Å; R83-W113 HydrophobicContact CB-CZ2 3.9Å; R83-W113 HydrophobicContact CB-CZ3 4.13Å; R83-W113 HydrophobicContact CG-CD2 3.88Å; R83-W113 HydrophobicContact CG-CE3 4.19Å; R83-W113 HydrophobicContact CG-CG 4.33Å; R83-W113 HydrophobicContact CG-CH2 4.33Å; R83-W113 HydrophobicContact CG-CZ2 4.02Å; R83-W113 HydrophobicContact CG-CZ3 4.39Å; R83-D116 IonicContact NH2-OD2 2.85Å
84	D	93.3	Very high	92.1	Very high	132 Å²	132	62.5 Å²	62.5	71%	0.706	30%	0.304	S	S	*	.	H	α-helix	trans	-67	-42.9	-175.4	-62.6	-27.4	0	0	0	111	Y82 F86 V87 E88	Y82-D84 PolarHBondContact O-N 3.07Å; D84-F86 VanDerWaalsContact C-N 3.32Å; D84-F86 PolarHBondContact O-N 2.97Å; D84-V87 PolarHBondContact O-N 2.93Å; D84-E88 WeakPolarHBondContact O-CB 3.44Å; D84-E88 PolarHBondContact O-N 2.75Å
85	K	94.2	Very high	92.3	Very high	102 Å²	102	62.7 Å²	62.7	44%	0.443	31%	0.307	S	S	.	.	H	α-helix	trans	-59.8	-40.5	173.3	-174.1	176.6	-177.9	176.9	0	112.2	Y82 E88 L89 M255	Y82-K85 HydrophobicContact CD1-CD 4.29Å; Y82-K85 PolarHBondContact O-N 2.99Å; K85-E88 PolarHBondContact O-N 3.36Å; K85-L89 HydrophobicContact CG-CD1 4.26Å; K85-L89 WeakPolarHBondContact O-CB 3.2Å; K85-L89 WeakPolarHBondContact O-CG 3.1Å; K85-L89 PolarHBondContact O-N 2.83Å; K85-M255 HydrophobicContact CG-SD 4.49Å
86	F	95.3	Very high	92.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.5	-48.5	176.1	174.1	-98	0	0	0	111.5	Y82 R83 D84 E88 L89 L90 M96 L98 I110 W113 V234 M255	Y82-F86 WeakPolarHBondContact O-CB 3.29Å; Y82-F86 PolarHBondContact O-N 3.41Å; R83-F86 WeakPolarHBondContact O-CB 3.45Å; R83-F86 PolarHBondContact O-N 3.29Å; D84-F86 VanDerWaalsContact C-N 3.32Å; D84-F86 PolarHBondContact O-N 2.97Å; F86-E88 VanDerWaalsContact C-N 3.3Å; F86-E88 PolarHBondContact O-N 2.85Å; F86-L89 PolarHBondContact O-N 3.36Å; F86-L90 HydrophobicContact CE1-CD2 3.97Å; F86-L90 HydrophobicContact CZ-CD2 4.15Å; F86-L90 WeakPolarHBondContact O-CB 3.27Å; F86-L90 PolarHBondContact O-N 3.17Å; F86-M96 HydrophobicContact CD2-CE 3.75Å; F86-M96 HydrophobicContact CD2-SD 3.99Å; F86-M96 HydrophobicContact CE2-CE 3.94Å; F86-M96 HydrophobicContact CE2-SD 3.68Å; F86-L98 HydrophobicContact CD2-CD1 3.9Å; F86-L98 HydrophobicContact CE2-CD1 4.08Å; F86-I110 HydrophobicContact CD2-CD1 4.29Å; F86-I110 HydrophobicContact CD2-CG2 4.39Å; F86-I110 HydrophobicContact CE1-CG2 3.97Å; F86-I110 HydrophobicContact CE2-CD1 4.47Å; F86-I110 HydrophobicContact CE2-CG2 3.57Å; F86-I110 HydrophobicContact CG-CD1 4.43Å; F86-I110 HydrophobicContact CZ-CG2 3.33Å; F86-W113 HydrophobicContact CB-CE3 4.25Å; F86-W113 HydrophobicContact CB-CZ3 4.27Å; F86-W113 HydrophobicContact CD1-CB 4.26Å; F86-W113 AromaticContact CD1-CE3 3.65Å; F86-W113 HydrophobicContact CD1-CE3 3.65Å; F86-W113 HydrophobicContact CD1-CZ3 4.43Å; F86-W113 HydrophobicContact CE1-CB 4.16Å; F86-W113 HydrophobicContact CE1-CE3 4.31Å; F86-W113 HydrophobicContact CG-CE3 4.05Å; F86-W113 HydrophobicContact CG-CZ3 4.4Å; F86-V234 HydrophobicContact CE2-CG1 4.18Å; F86-V234 HydrophobicContact CE2-CG2 4.34Å; F86-V234 HydrophobicContact CZ-CG2 4.27Å; F86-M255 HydrophobicContact CB-CE 3.99Å; F86-M255 HydrophobicContact CB-SD 3.82Å; F86-M255 HydrophobicContact CD2-CE 4.08Å; F86-M255 HydrophobicContact CD2-SD 4.29Å; F86-M255 HydrophobicContact CG-CE 4.48Å
87	V	93	Very high	92.9	Very high	52 Å²	52	54.1 Å²	54.1	32%	0.315	26%	0.261	S	S	.	.	H	α-helix	trans	-63.3	-38.9	179.9	174.2	0	0	0	0	111.1	R83 D84 C91	R83-V87 WeakPolarHBondContact O-CG2 3.3Å; R83-V87 PolarHBondContact O-N 3.32Å; D84-V87 PolarHBondContact O-N 2.93Å; V87-C91 WeakPolarHBondContact O-CB 3.41Å; V87-C91 PolarHBondContact O-N 2.98Å
88	E	93.9	Very high	93.3	Very high	118 Å²	118	52 Å²	52	55%	0.551	25%	0.25	S	S	*	.	H	α-helix	trans	-61.3	-50.1	173.8	-174.4	-173.2	173.1	0	0	111.8	D84 K85 F86 L90 C91 H92	D84-E88 WeakPolarHBondContact O-CB 3.44Å; D84-E88 PolarHBondContact O-N 2.75Å; K85-E88 PolarHBondContact O-N 3.36Å; F86-E88 VanDerWaalsContact C-N 3.3Å; F86-E88 PolarHBondContact O-N 2.85Å; E88-L90 PolarHBondContact O-N 3.23Å; E88-C91 WeakPolarHBondContact O-CB 3.29Å; E88-C91 PolarHBondContact O-N 3.47Å; E88-H92 PolarHBondContact O-N 2.91Å; E88-H92 VanDerWaalsContact O-N 3.17Å; E88-H92 PolarHBondContact O-ND1 2.79Å
89	L	94.3	Very high	93.5	Very high	31 Å²	31	51.9 Å²	51.9	16%	0.162	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-43.3	178.6	-74.5	173.8	0	0	0	111.9	K85 F86 C91 H92 N93 M96 P253 M255	K85-L89 HydrophobicContact CG-CD1 4.26Å; K85-L89 WeakPolarHBondContact O-CB 3.2Å; K85-L89 WeakPolarHBondContact O-CG 3.1Å; K85-L89 PolarHBondContact O-N 2.83Å; F86-L89 PolarHBondContact O-N 3.36Å; L89-C91 VanDerWaalsContact C-N 3.28Å; L89-C91 PolarHBondContact O-N 2.92Å; L89-H92 PolarHBondContact O-N 3.43Å; L89-N93 WeakPolarHBondContact O-CB 3.46Å; L89-N93 PolarHBondContact O-N 2.66Å; L89-N93 PolarHBondContact O-ND2 3.1Å; L89-M96 HydrophobicContact CB-CE 3.9Å; L89-M96 HydrophobicContact CB-SD 4.11Å; L89-M96 HydrophobicContact CD1-CE 3.92Å; L89-P253 HydrophobicContact CD2-CB 4.05Å; L89-M255 HydrophobicContact CD1-CB 3.92Å; L89-M255 HydrophobicContact CD1-CG 4.18Å; L89-M255 HydrophobicContact CD1-SD 4.2Å
90	L	93.4	Very high	93.3	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-34.9	177.5	-173.6	67.1	0	0	0	111.8	F86 E88 M96 F117 K232 V234	F86-L90 HydrophobicContact CE1-CD2 3.97Å; F86-L90 HydrophobicContact CZ-CD2 4.15Å; F86-L90 WeakPolarHBondContact O-CB 3.27Å; F86-L90 PolarHBondContact O-N 3.17Å; E88-L90 PolarHBondContact O-N 3.23Å; L90-M96 HydrophobicContact CB-SD 4.47Å; L90-F117 HydrophobicContact CD2-CB 4.2Å; L90-F117 HydrophobicContact CD2-CD1 4.07Å; L90-F117 HydrophobicContact CD2-CD2 4.21Å; L90-F117 HydrophobicContact CD2-CG 3.9Å; L90-K232 HydrophobicContact CD1-CB 3.81Å; L90-K232 HydrophobicContact CD1-CD 4.5Å; L90-K232 HydrophobicContact CD1-CG 4.15Å; L90-K232 WeakPolarHBondContact O-CE 3.27Å; L90-K232 PolarHBondContact O-NZ 3.37Å; L90-V234 HydrophobicContact CD1-CG2 3.91Å
91	C	91.4	Very high	92.7	Very high	35 Å²	35	52.7 Å²	52.7	24%	0.236	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-51.6	176	175.8	0	0	0	0	111.4	V87 E88 L89 F117 R121 K232	V87-C91 WeakPolarHBondContact O-CB 3.41Å; V87-C91 PolarHBondContact O-N 2.98Å; E88-C91 WeakPolarHBondContact O-CB 3.29Å; E88-C91 PolarHBondContact O-N 3.47Å; L89-C91 VanDerWaalsContact C-N 3.28Å; L89-C91 PolarHBondContact O-N 2.92Å; C91-F117 HydrophobicContact CB-CE2 4.45Å; C91-R121 VanDerWaalsContact SG-CZ 3.57Å; C91-R121 PolarHBondContact SG-NH1 2.93Å; C91-R121 PolarHBondContact SG-NH2 2.87Å; C91-K232 PolarHBondContact O-NZ 2.89Å; C91-K232 VanDerWaalsContact O-NZ 3.07Å
92	H	92.6	Very high	92	Very high	137 Å²	137	47.2 Å²	47.2	63%	0.634	23%	0.229	S	C	*	.	H	α-helix	trans	-82.9	-22.7	-170.3	-65.3	95.7	0	0	0	114.5	E88 L89	E88-H92 PolarHBondContact O-N 2.91Å; E88-H92 VanDerWaalsContact O-N 3.17Å; E88-H92 PolarHBondContact O-ND1 2.79Å; L89-H92 PolarHBondContact O-N 3.43Å
93	N	93.9	Very high	91.2	Very high	47 Å²	47	46.2 Å²	46.2	25%	0.251	24%	0.238	S	C	.	.			trans	-118.3	144.3	-172.7	-56.7	-83.3	0	0	0	111	L89 K232 P253	L89-N93 WeakPolarHBondContact O-CB 3.46Å; L89-N93 PolarHBondContact O-N 2.66Å; L89-N93 PolarHBondContact O-ND2 3.1Å; N93-K232 WeakPolarHBondContact O-CD 3.08Å; N93-K232 PolarHBondContact O-NZ 2.85Å; N93-P253 HydrophobicContact CB-CG 4.22Å; N93-P253 VanDerWaalsContact CG-CG 3.47Å; N93-P253 VanDerWaalsContact OD1-CG 3.31Å; N93-P253 WeakPolarHBondContact OD1-CG 3.38Å
94	Q	94.3	Very high	90.8	Very high	60 Å²	60	42 Å²	42	28%	0.28	22%	0.222	S	C	.	.	S	Bend	trans	-75.5	-42	174	-166.8	-174.8	11.6	0	0	111	A225 R228 L231 K232 I233	Q94-A225 PolarHBondContact NE2-O 3.08Å; Q94-R228 PolarHBondContact NE2-O 3.02Å; Q94-L231 WeakPolarHBondContact CG-O 3.17Å; Q94-K232 CarbonylContact O-C 3.57Å; Q94-K232 WeakPolarHBondContact O-CA 3.15Å; Q94-I233 PolarHBondContact O-N 3.43Å
95	V	95.3	Very high	90.5	Very high	20 Å²	20	36.1 Å²	36.1	12%	0.121	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.1	179.5	-168.9	0	0	0	0	109.6	I233 F249 C252	V95-I233 CarbonylContact C-O 3.57Å; V95-I233 WeakPolarHBondContact CA-O 3.47Å; V95-I233 HydrophobicContact CB-CB 4.46Å; V95-I233 HydrophobicContact CG1-CB 4.12Å; V95-I233 HydrophobicContact CG1-CG2 4.09Å; V95-I233 HydrophobicContact CG2-CB 4.17Å; V95-I233 HydrophobicContact CG2-CD1 3.91Å; V95-F249 HydrophobicContact CG1-CB 3.81Å; V95-F249 HydrophobicContact CG1-CD1 3.89Å; V95-F249 HydrophobicContact CG1-CD2 4.42Å; V95-F249 HydrophobicContact CG1-CG 3.8Å; V95-C252 HydrophobicContact CB-CB 4.17Å; V95-C252 HydrophobicContact CG1-CB 4.37Å; V95-C252 WeakPolarHBondContact O-CB 3.29Å
96	M	95.4	Very high	90.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	153.7	169.1	66.3	178.7	-65.2	0	0	111.7	F86 L89 L90 I233 V234 V235 M255	F86-M96 HydrophobicContact CD2-CE 3.75Å; F86-M96 HydrophobicContact CD2-SD 3.99Å; F86-M96 HydrophobicContact CE2-CE 3.94Å; F86-M96 HydrophobicContact CE2-SD 3.68Å; L89-M96 HydrophobicContact CB-CE 3.9Å; L89-M96 HydrophobicContact CB-SD 4.11Å; L89-M96 HydrophobicContact CD1-CE 3.92Å; L90-M96 HydrophobicContact CB-SD 4.47Å; M96-I233 PolarHBondContact N-O 3.07Å; M96-V234 HydrophobicContact CG-CB 4.38Å; M96-V234 HydrophobicContact CG-CG1 4.15Å; M96-V234 HydrophobicContact CG-CG2 3.99Å; M96-V234 WeakPolarHBondContact O-CA 3.46Å; M96-V234 HydrophobicContact SD-CG2 4.29Å; M96-V235 PolarHBondContact O-N 3.39Å; M96-M255 HydrophobicContact CE-CB 4Å; M96-M255 HydrophobicContact CE-SD 4.41Å
97	V	94.8	Very high	90.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.8	171.6	179.9	0	0	0	0	109	V99 V235 A242 F245 Q246 P253 L254 M255	V97-V99 HydrophobicContact CG1-CG2 4.28Å; V97-V235 CarbonylContact C-O 3.24Å; V97-V235 WeakPolarHBondContact CA-O 3.39Å; V97-V235 HydrophobicContact CG2-CB 4.3Å; V97-A242 HydrophobicContact CG1-CB 4.14Å; V97-F245 HydrophobicContact CG1-CB 4.36Å; V97-F245 HydrophobicContact CG2-CB 3.91Å; V97-Q246 HydrophobicContact CB-CG 4.26Å; V97-Q246 HydrophobicContact CG2-CG 4.04Å; V97-P253 PolarHBondContact N-O 3.14Å; V97-L254 HydrophobicContact CB-CD1 4.1Å; V97-L254 HydrophobicContact CG1-CD1 3.82Å; V97-L254 CarbonylContact O-C 3.58Å; V97-L254 WeakPolarHBondContact O-CA 3.32Å; V97-M255 PolarHBondContact O-N 3.39Å
98	L	94.2	Very high	90.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.1	175.7	-172.7	158.3	0	0	0	109.5	F86 K106 I110 V234 V235 M236 S237 M255	F86-L98 HydrophobicContact CD2-CD1 3.9Å; F86-L98 HydrophobicContact CE2-CD1 4.08Å; L98-K106 HydrophobicContact CD2-CB 4.32Å; L98-K106 HydrophobicContact CD2-CD 3.4Å; L98-K106 VanDerWaalsContact CD2-CD 3.4Å; L98-K106 HydrophobicContact CD2-CG 3.62Å; L98-I110 HydrophobicContact CD1-CD1 3.55Å; L98-I110 HydrophobicContact CD1-CG1 3.84Å; L98-I110 HydrophobicContact CD1-CG2 4.42Å; L98-V234 HydrophobicContact CB-CG1 4.34Å; L98-V235 PolarHBondContact N-O 3.01Å; L98-M236 HydrophobicContact CB-CG 4.21Å; L98-M236 CarbonylContact O-C 3.58Å; L98-M236 VanDerWaalsContact O-CA 3.29Å; L98-M236 WeakPolarHBondContact O-CA 3.22Å; L98-S237 PolarHBondContact O-N 3.37Å; L98-M255 WeakPolarHBondContact CA-O 3.18Å; L98-M255 HydrophobicContact CD1-CE 3.35Å; L98-M255 HydrophobicContact CG-CE 3.82Å
99	V	92.1	Very high	90.3	Very high	11 Å²	11	25.4 Å²	25.4	7%	0.067	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.9	175.1	-179.4	0	0	0	0	108.9	V97 S237 A242 L254 M255 C256 V257	V97-V99 HydrophobicContact CG1-CG2 4.28Å; V99-S237 WeakPolarHBondContact CA-O 3.39Å; V99-A242 HydrophobicContact CG2-CB 3.21Å; V99-L254 HydrophobicContact CB-CD1 4.26Å; V99-L254 HydrophobicContact CG2-CD1 3.53Å; V99-M255 PolarHBondContact N-O 3.47Å; V99-C256 CarbonylContact O-C 3.55Å; V99-C256 WeakPolarHBondContact O-CA 3.35Å; V99-V257 PolarHBondContact O-N 3.21Å
100	G	87	Confident	90.4	Very high	1 Å²	1	24 Å²	24	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	147.6	167.9	0	0	0	0	0	109.9	K106 S237 A238 V257	G100-K106 WeakPolarHBondContact O-CD 3.37Å; G100-K106 VanDerWaalsContact O-CE 3.28Å; G100-K106 WeakPolarHBondContact O-CE 3.39Å; G100-K106 PolarHBondContact O-NZ 2.81Å; G100-S237 PolarHBondContact N-O 3.24Å; G100-A238 WeakPolarHBondContact O-CA 3.34Å; G100-V257 WeakPolarHBondContact CA-O 3.33Å
101	E	80.4	Confident	90.5	Very high	79 Å²	79	23.9 Å²	23.9	37%	0.369	14%	0.135	S	C	.	.			trans	-56.8	158.1	-178.5	-67.1	-178.9	-174.9	0	0	111.8	G103 S104 K106 G259 T261	E101-G103 PolarHBondContact O-N 3.13Å; E101-S104 VanDerWaalsContact O-CB 3.22Å; E101-S104 WeakPolarHBondContact O-CB 3.21Å; E101-S104 PolarHBondContact O-N 3.26Å; E101-S104 VanDerWaalsContact O-N 3.16Å; E101-S104 PolarHBondContact O-OG 3.45Å; E101-K106 PolarHBondContact O-NZ 2.96Å; E101-G259 WeakPolarHBondContact OE2-CA 3.28Å; E101-T261 WeakPolarHBondContact OE2-CB 3.48Å; E101-T261 WeakPolarHBondContact OE2-CG2 3.24Å; E101-T261 PolarHBondContact OE2-OG1 3.34Å
102	T	76.9	Confident	90.8	Very high	12 Å²	12	22.7 Å²	22.7	7%	0.074	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	140.1	176.7	71.8	0	0	0	0	110.5	S104 A238 R417 R420	T102-S104 VanDerWaalsContact C-N 3.29Å; T102-A238 HydrophobicContact CG2-CB 3.62Å; T102-R417 PolarHBondContact OG1-NH1 3.08Å; T102-R417 PolarHBondContact OG1-NH2 2.91Å; T102-R420 PolarHBondContact OG1-NE 2.91Å; T102-R420 PolarHBondContact OG1-NH2 3.05Å
103	G	76.9	Confident	90.9	Very high	40 Å²	40	16.6 Å²	16.6	41%	0.412	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-5.3	-172.6	0	0	0	0	0	114.5	E101 G105	E101-G103 PolarHBondContact O-N 3.13Å; G103-G105 PolarHBondContact O-N 3.02Å
104	S	84.7	Confident	90.9	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.014	9%	0.086	C	C	.	.	S	Bend	trans	-66.8	-17	175.3	64.7	0	0	0	0	114.1	P78 V79 E101 T102 K106	P78-S104 WeakPolarHBondContact CD-O 3.34Å; V79-S104 VanDerWaalsContact CG1-O 3.26Å; V79-S104 WeakPolarHBondContact CG1-O 3.1Å; V79-S104 VanDerWaalsContact CG2-O 3.27Å; V79-S104 WeakPolarHBondContact CG2-O 3.44Å; V79-S104 PolarHBondContact N-O 3.44Å; V79-S104 VanDerWaalsContact N-O 3.11Å; E101-S104 VanDerWaalsContact O-CB 3.22Å; E101-S104 WeakPolarHBondContact O-CB 3.21Å; E101-S104 PolarHBondContact O-N 3.26Å; E101-S104 VanDerWaalsContact O-N 3.16Å; E101-S104 PolarHBondContact O-OG 3.45Å; T102-S104 VanDerWaalsContact C-N 3.29Å; S104-K106 WeakPolarHBondContact OG-CG 3.35Å
105	G	87.1	Confident	90.9	Very high	8 Å²	8	11.6 Å²	11.6	8%	0.082	7%	0.073	C	C	.	.	S	Bend	trans	106.1	7.1	179.3	0	0	0	0	0	115.4	G103 T107 T108 Q109	G103-G105 PolarHBondContact O-N 3.02Å; G105-T107 PolarHBondContact O-N 3.4Å; G105-T108 PolarHBondContact O-N 3.02Å; G105-T108 PolarHBondContact O-OG1 3.22Å; G105-Q109 WeakPolarHBondContact O-CB 3.39Å; G105-Q109 WeakPolarHBondContact O-CG 3.43Å; G105-Q109 PolarHBondContact O-N 3.29Å
106	K	90.9	Very high	90.7	Very high	5 Å²	5	13.3 Å²	13.3	2%	0.022	8%	0.082	C	C	.	.	H	α-helix	trans	-50.1	-61.1	-177.6	-54.5	-174	-57.7	-63.3	0	112.7	V79 L98 G100 E101 S104 T108 I110 P111 M236 S237	V79-K106 HydrophobicContact CG1-CG 4.28Å; L98-K106 HydrophobicContact CD2-CB 4.32Å; L98-K106 HydrophobicContact CD2-CD 3.4Å; L98-K106 VanDerWaalsContact CD2-CD 3.4Å; L98-K106 HydrophobicContact CD2-CG 3.62Å; G100-K106 WeakPolarHBondContact O-CD 3.37Å; G100-K106 VanDerWaalsContact O-CE 3.28Å; G100-K106 WeakPolarHBondContact O-CE 3.39Å; G100-K106 PolarHBondContact O-NZ 2.81Å; E101-K106 PolarHBondContact O-NZ 2.96Å; S104-K106 WeakPolarHBondContact OG-CG 3.35Å; K106-T108 VanDerWaalsContact C-N 3.3Å; K106-T108 PolarHBondContact O-N 3.5Å; K106-I110 HydrophobicContact CB-CG1 4.44Å; K106-I110 VanDerWaalsContact O-CB 3.25Å; K106-I110 WeakPolarHBondContact O-CB 3.46Å; K106-I110 WeakPolarHBondContact O-CG1 3.39Å; K106-I110 PolarHBondContact O-N 3.22Å; K106-I110 VanDerWaalsContact O-N 3.08Å; K106-P111 WeakPolarHBondContact O-CD 3.4Å; K106-M236 HydrophobicContact CB-SD 4.18Å; K106-S237 WeakPolarHBondContact CE-O 3.43Å
107	T	92.4	Very high	90.4	Very high	16 Å²	16	13.9 Å²	13.9	10%	0.098	8%	0.084	C	C	.	.	H	α-helix	trans	-62.9	-32.7	-172.3	-47.2	0	0	0	0	113.5	G105 P111 Q137 V146 Y180 D205	G105-T107 PolarHBondContact O-N 3.4Å; T107-P111 WeakPolarHBondContact O-CD 3.48Å; T107-P111 WeakPolarHBondContact O-CG 3.37Å; T107-Q137 VanDerWaalsContact CG2-NE2 3.26Å; T107-V146 HydrophobicContact CG2-CB 4.28Å; T107-V146 HydrophobicContact CG2-CG1 3.68Å; T107-V146 HydrophobicContact CG2-CG2 3.73Å; T107-Y180 PolarHBondContact O-OH 2.63Å; T107-Y180 VanDerWaalsContact O-OH 3.1Å; T107-D205 WeakPolarHBondContact CB-OD2 3.39Å; T107-D205 WeakPolarHBondContact CG2-OD2 3.21Å; T107-D205 PolarHBondContact OG1-OD2 2.97Å
108	T	92.9	Very high	90	Very high	27 Å²	27	15 Å²	15	17%	0.166	9%	0.09	C	C	.	.	H	α-helix	trans	-90.7	-41.7	-178.7	53.4	0	0	0	0	112.5	G105 K106 Q112 V146 R149 V150	G105-T108 PolarHBondContact O-N 3.02Å; G105-T108 PolarHBondContact O-OG1 3.22Å; K106-T108 VanDerWaalsContact C-N 3.3Å; K106-T108 PolarHBondContact O-N 3.5Å; T108-Q112 WeakPolarHBondContact O-CG 3.34Å; T108-Q112 PolarHBondContact O-NE2 3.06Å; T108-V146 HydrophobicContact CG2-CG1 4.41Å; T108-R149 HydrophobicContact CG2-CG 4.4Å; T108-V150 HydrophobicContact CG2-CG2 4.11Å
109	Q	94.8	Very high	89.5	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-91.5	-41.6	-169.7	-52.4	-49.5	-64.4	0	0	113.5	L77 V79 G105 Q112 W113 E153	L77-Q109 HydrophobicContact CD1-CG 3.85Å; V79-Q109 HydrophobicContact CG2-CB 3.86Å; V79-Q109 HydrophobicContact CG2-CG 3.81Å; G105-Q109 WeakPolarHBondContact O-CB 3.39Å; G105-Q109 WeakPolarHBondContact O-CG 3.43Å; G105-Q109 PolarHBondContact O-N 3.29Å; Q109-Q112 WeakPolarHBondContact O-CB 3.47Å; Q109-Q112 PolarHBondContact O-N 2.8Å; Q109-Q112 VanDerWaalsContact O-N 3.12Å; Q109-W113 HydrophobicContact CB-CH2 4.31Å; Q109-W113 HydrophobicContact CB-CZ2 3.85Å; Q109-W113 PolarHBondContact O-N 3.22Å; Q109-W113 VanDerWaalsContact O-N 3.13Å; Q109-E153 PolarHBondContact NE2-OE2 2.68Å
110	I	96.6	Very high	88.8	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.6	-47	-175.1	-55.6	-58.8	0	0	0	111.5	F86 L98 K106 Q112 W113 C114 L203 M236	F86-I110 HydrophobicContact CD2-CD1 4.29Å; F86-I110 HydrophobicContact CD2-CG2 4.39Å; F86-I110 HydrophobicContact CE1-CG2 3.97Å; F86-I110 HydrophobicContact CE2-CD1 4.47Å; F86-I110 HydrophobicContact CE2-CG2 3.57Å; F86-I110 HydrophobicContact CG-CD1 4.43Å; F86-I110 HydrophobicContact CZ-CG2 3.33Å; L98-I110 HydrophobicContact CD1-CD1 3.55Å; L98-I110 HydrophobicContact CD1-CG1 3.84Å; L98-I110 HydrophobicContact CD1-CG2 4.42Å; K106-I110 HydrophobicContact CB-CG1 4.44Å; K106-I110 VanDerWaalsContact O-CB 3.25Å; K106-I110 WeakPolarHBondContact O-CB 3.46Å; K106-I110 WeakPolarHBondContact O-CG1 3.39Å; K106-I110 PolarHBondContact O-N 3.22Å; K106-I110 VanDerWaalsContact O-N 3.08Å; I110-Q112 VanDerWaalsContact C-N 3.27Å; I110-Q112 PolarHBondContact O-N 2.68Å; I110-W113 HydrophobicContact CD1-CE3 3.59Å; I110-W113 HydrophobicContact CD1-CH2 4.21Å; I110-W113 HydrophobicContact CD1-CZ3 3.34Å; I110-W113 PolarHBondContact O-N 2.87Å; I110-W113 VanDerWaalsContact O-N 3.14Å; I110-C114 PolarHBondContact O-N 3.26Å; I110-C114 PolarHBondContact O-SG 3.49Å; I110-C114 VanDerWaalsContact O-SG 3.33Å; I110-L203 HydrophobicContact CB-CD2 4.2Å; I110-L203 HydrophobicContact CG2-CD2 3.46Å; I110-L203 VanDerWaalsContact CG2-CD2 3.46Å; I110-M236 HydrophobicContact CB-SD 3.84Å; I110-M236 HydrophobicContact CG1-SD 3.98Å; I110-M236 HydrophobicContact CG2-SD 3.84Å
111	P	96.9	Very high	88.1	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.2	-31.9	178.4	-22.3	35	0	0	0	113.3	K106 T107 C114 V115 V133 C135 L178 Y180 L203	K106-P111 WeakPolarHBondContact O-CD 3.4Å; T107-P111 WeakPolarHBondContact O-CD 3.48Å; T107-P111 WeakPolarHBondContact O-CG 3.37Å; P111-C114 WeakPolarHBondContact O-CB 3.34Å; P111-C114 PolarHBondContact O-N 2.88Å; P111-V115 WeakPolarHBondContact O-CG2 3.28Å; P111-V115 PolarHBondContact O-N 3.25Å; P111-V133 HydrophobicContact CB-CG1 4.41Å; P111-C135 HydrophobicContact CB-CB 4.34Å; P111-C135 HydrophobicContact CG-CB 3.99Å; P111-L178 HydrophobicContact CB-CD1 3.52Å; P111-L178 HydrophobicContact CB-CD2 3.95Å; P111-L178 HydrophobicContact CB-CG 4.41Å; P111-Y180 HydrophobicContact CG-CE1 4.17Å; P111-Y180 WeakPolarHBondContact CG-OH 3.39Å; P111-L203 HydrophobicContact CB-CD1 4.28Å; P111-L203 HydrophobicContact CG-CD1 4.4Å; P111-L203 HydrophobicContact CG-CD2 4.19Å
112	Q	95.9	Very high	87	Confident	11 Å²	11	30.5 Å²	30.5	5%	0.051	17%	0.17	C	C	.	.	H	α-helix	trans	-66	-40.5	175.7	-64.4	-177.5	61.1	0	0	111.3	R74 T108 Q109 I110 C114 V115 D116 V150 E153 M154	R74-Q112 VanDerWaalsContact CZ-OE1 3.3Å; R74-Q112 VanDerWaalsContact NH2-NE2 3.1Å; T108-Q112 WeakPolarHBondContact O-CG 3.34Å; T108-Q112 PolarHBondContact O-NE2 3.06Å; Q109-Q112 WeakPolarHBondContact O-CB 3.47Å; Q109-Q112 PolarHBondContact O-N 2.8Å; Q109-Q112 VanDerWaalsContact O-N 3.12Å; I110-Q112 VanDerWaalsContact C-N 3.27Å; I110-Q112 PolarHBondContact O-N 2.68Å; Q112-C114 VanDerWaalsContact C-N 3.31Å; Q112-C114 PolarHBondContact O-N 3.06Å; Q112-V115 WeakPolarHBondContact O-CB 3.49Å; Q112-V115 PolarHBondContact O-N 2.8Å; Q112-V115 VanDerWaalsContact O-N 3.15Å; Q112-D116 PolarHBondContact O-N 2.77Å; Q112-V150 HydrophobicContact CG-CG1 3.78Å; Q112-E153 PolarHBondContact NE2-OE2 3.07Å; Q112-M154 HydrophobicContact CG-CG 3.95Å; Q112-M154 HydrophobicContact CG-SD 3.78Å; Q112-M154 VanDerWaalsContact OE1-CG 3.24Å
113	W	95.6	Very high	86	Confident	9 Å²	9	31.7 Å²	31.7	3%	0.034	18%	0.179	C	C	.	.	H	α-helix	trans	-66.9	-33.7	175.1	-57.1	-19.4	0	0	0	112.3	V79 F80 R83 F86 Q109 I110 V115 D116 F117	V79-W113 HydrophobicContact CB-CH2 4.01Å; V79-W113 HydrophobicContact CG2-CH2 3.98Å; V79-W113 HydrophobicContact CG2-CZ2 4.49Å; V79-W113 VanDerWaalsContact O-CH2 3.28Å; V79-W113 WeakPolarHBondContact O-CH2 3.4Å; F80-W113 HydrophobicContact CD2-CZ2 4.24Å; R83-W113 HydrophobicContact CB-CD2 4.46Å; R83-W113 HydrophobicContact CB-CE3 4.42Å; R83-W113 HydrophobicContact CB-CH2 3.88Å; R83-W113 HydrophobicContact CB-CZ2 3.9Å; R83-W113 HydrophobicContact CB-CZ3 4.13Å; R83-W113 HydrophobicContact CG-CD2 3.88Å; R83-W113 HydrophobicContact CG-CE3 4.19Å; R83-W113 HydrophobicContact CG-CG 4.33Å; R83-W113 HydrophobicContact CG-CH2 4.33Å; R83-W113 HydrophobicContact CG-CZ2 4.02Å; R83-W113 HydrophobicContact CG-CZ3 4.39Å; F86-W113 HydrophobicContact CB-CE3 4.25Å; F86-W113 HydrophobicContact CB-CZ3 4.27Å; F86-W113 HydrophobicContact CD1-CB 4.26Å; F86-W113 AromaticContact CD1-CE3 3.65Å; F86-W113 HydrophobicContact CD1-CE3 3.65Å; F86-W113 HydrophobicContact CD1-CZ3 4.43Å; F86-W113 HydrophobicContact CE1-CB 4.16Å; F86-W113 HydrophobicContact CE1-CE3 4.31Å; F86-W113 HydrophobicContact CG-CE3 4.05Å; F86-W113 HydrophobicContact CG-CZ3 4.4Å; Q109-W113 HydrophobicContact CB-CH2 4.31Å; Q109-W113 HydrophobicContact CB-CZ2 3.85Å; Q109-W113 PolarHBondContact O-N 3.22Å; Q109-W113 VanDerWaalsContact O-N 3.13Å; I110-W113 HydrophobicContact CD1-CE3 3.59Å; I110-W113 HydrophobicContact CD1-CH2 4.21Å; I110-W113 HydrophobicContact CD1-CZ3 3.34Å; I110-W113 PolarHBondContact O-N 2.87Å; I110-W113 VanDerWaalsContact O-N 3.14Å; W113-V115 VanDerWaalsContact C-N 3.34Å; W113-D116 PolarHBondContact O-N 2.83Å; W113-F117 WeakPolarHBondContact O-CB 3.44Å; W113-F117 PolarHBondContact O-N 3.11Å
114	C	95	Very high	84.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-39	170.6	-63.1	0	0	0	0	111.7	I110 P111 Q112 F117 L118 V133 V201	I110-C114 PolarHBondContact O-N 3.26Å; I110-C114 PolarHBondContact O-SG 3.49Å; I110-C114 VanDerWaalsContact O-SG 3.33Å; P111-C114 WeakPolarHBondContact O-CB 3.34Å; P111-C114 PolarHBondContact O-N 2.88Å; Q112-C114 VanDerWaalsContact C-N 3.31Å; Q112-C114 PolarHBondContact O-N 3.06Å; C114-F117 WeakPolarHBondContact O-CB 3.4Å; C114-F117 PolarHBondContact O-N 3.31Å; C114-L118 WeakPolarHBondContact O-CG 3.32Å; C114-L118 PolarHBondContact O-N 2.97Å; C114-V133 HydrophobicContact CB-CG1 3.95Å; C114-V133 HydrophobicContact CB-CG2 3.85Å; C114-V201 HydrophobicContact CB-CB 4.28Å; C114-V201 HydrophobicContact CB-CG1 4.03Å; C114-V201 HydrophobicContact CB-CG2 4.26Å
115	V	93.4	Very high	83	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.012	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-43.6	173.8	174.7	0	0	0	0	111.1	P111 Q112 W113 F117 L118 R119 V133 M154 L177 L178	P111-V115 WeakPolarHBondContact O-CG2 3.28Å; P111-V115 PolarHBondContact O-N 3.25Å; Q112-V115 WeakPolarHBondContact O-CB 3.49Å; Q112-V115 PolarHBondContact O-N 2.8Å; Q112-V115 VanDerWaalsContact O-N 3.15Å; W113-V115 VanDerWaalsContact C-N 3.34Å; V115-F117 VanDerWaalsContact C-N 3.33Å; V115-F117 PolarHBondContact O-N 2.91Å; V115-L118 PolarHBondContact O-N 3.24Å; V115-R119 WeakPolarHBondContact O-CG 3.4Å; V115-R119 PolarHBondContact O-N 2.91Å; V115-V133 HydrophobicContact CG2-CB 4.29Å; V115-V133 HydrophobicContact CG2-CG2 3.81Å; V115-M154 HydrophobicContact CG1-CE 4.14Å; V115-L177 HydrophobicContact CG1-CB 4.49Å; V115-L178 HydrophobicContact CG2-CB 3.78Å; V115-L178 HydrophobicContact CG2-CD2 4.34Å; V115-L178 HydrophobicContact CG2-CG 4.48Å
116	D	90.6	Very high	81.1	Confident	56 Å²	56	43.7 Å²	43.7	30%	0.299	25%	0.248	S	C	.	.	H	α-helix	trans	-62.3	-40.8	175.7	-72.3	-19.7	0	0	0	111.8	R83 Q112 W113 L118 R119 T120	R83-D116 IonicContact NH2-OD2 2.85Å; Q112-D116 PolarHBondContact O-N 2.77Å; W113-D116 PolarHBondContact O-N 2.83Å; D116-L118 PolarHBondContact O-N 3.1Å; D116-R119 PolarHBondContact O-N 3.06Å; D116-R119 IonicContact OD1-NH1 3.42Å; D116-T120 WeakPolarHBondContact O-CG2 3.39Å; D116-T120 PolarHBondContact O-N 3.32Å; D116-T120 PolarHBondContact O-OG1 3.42Å; D116-T120 VanDerWaalsContact O-OG1 3.08Å
117	F	89.2	Confident	79.1	Confident	12 Å²	12	51.2 Å²	51.2	5%	0.053	28%	0.28	C	S	.	.	H	α-helix	trans	-58.7	-46	173.7	173.8	-94.7	0	0	0	111.9	L90 C91 W113 C114 V115 R119 T120 R121 K232	L90-F117 HydrophobicContact CD2-CB 4.2Å; L90-F117 HydrophobicContact CD2-CD1 4.07Å; L90-F117 HydrophobicContact CD2-CD2 4.21Å; L90-F117 HydrophobicContact CD2-CG 3.9Å; C91-F117 HydrophobicContact CB-CE2 4.45Å; W113-F117 WeakPolarHBondContact O-CB 3.44Å; W113-F117 PolarHBondContact O-N 3.11Å; C114-F117 WeakPolarHBondContact O-CB 3.4Å; C114-F117 PolarHBondContact O-N 3.31Å; V115-F117 VanDerWaalsContact C-N 3.33Å; V115-F117 PolarHBondContact O-N 2.91Å; F117-R119 VanDerWaalsContact C-N 3.3Å; F117-R119 PolarHBondContact O-N 3.49Å; F117-T120 PolarHBondContact O-N 2.93Å; F117-T120 PolarHBondContact O-OG1 3.15Å; F117-T120 VanDerWaalsContact O-OG1 3.05Å; F117-R121 PolarHBondContact O-N 3.19Å; F117-K232 HydrophobicContact CE1-CG 4.47Å
118	L	87.1	Confident	77.1	Confident	23 Å²	23	54 Å²	54	12%	0.12	31%	0.313	C	S	.	.	H	α-helix	trans	-66	-30.8	176.8	-67.9	-171.1	0	0	0	113.2	C114 V115 D116 R121 V133 Q200 V201	C114-L118 WeakPolarHBondContact O-CG 3.32Å; C114-L118 PolarHBondContact O-N 2.97Å; V115-L118 PolarHBondContact O-N 3.24Å; D116-L118 PolarHBondContact O-N 3.1Å; L118-R121 CarbonylContact O-C 3.4Å; L118-V133 HydrophobicContact CD1-CG2 3.56Å; L118-V133 HydrophobicContact CG-CG2 4.29Å; L118-Q200 HydrophobicContact CD1-CB 4.24Å; L118-Q200 HydrophobicContact CD2-CB 3.72Å; L118-Q200 VanDerWaalsContact CD2-CD 3.43Å; L118-Q200 HydrophobicContact CD2-CG 3.62Å; L118-Q200 VanDerWaalsContact CD2-OE1 3.32Å; L118-V201 HydrophobicContact CD1-CG2 4.37Å; L118-V201 HydrophobicContact CD2-CG2 3.97Å; L118-V201 HydrophobicContact CG-CG2 4.17Å
119	R	82.8	Confident	75.4	Confident	81 Å²	81	55.4 Å²	55.4	31%	0.306	33%	0.327	S	S	.	.	H	α-helix	trans	-77.3	-32.9	179.7	-73.8	176.5	61	-132.6	-19.5	113.2	P57 V115 D116 F117 R121	P57-R119 VanDerWaalsContact CG-CZ 3.46Å; V115-R119 WeakPolarHBondContact O-CG 3.4Å; V115-R119 PolarHBondContact O-N 2.91Å; D116-R119 PolarHBondContact O-N 3.06Å; D116-R119 IonicContact OD1-NH1 3.42Å; F117-R119 VanDerWaalsContact C-N 3.3Å; F117-R119 PolarHBondContact O-N 3.49Å; R119-R121 VanDerWaalsContact C-N 3.32Å
120	T	77	Confident	73.9	Confident	106 Å²	106	63.6 Å²	63.6	65%	0.65	36%	0.358	S	S	*	.	H	α-helix	trans	-79.3	-17.6	177.9	52.4	0	0	0	0	112.8	D116 F117	D116-T120 WeakPolarHBondContact O-CG2 3.39Å; D116-T120 PolarHBondContact O-N 3.32Å; D116-T120 PolarHBondContact O-OG1 3.42Å; D116-T120 VanDerWaalsContact O-OG1 3.08Å; F117-T120 PolarHBondContact O-N 2.93Å; F117-T120 PolarHBondContact O-OG1 3.15Å; F117-T120 VanDerWaalsContact O-OG1 3.05Å
121	R	72.2	Confident	73.1	Confident	113 Å²	113	65 Å²	65	43%	0.426	36%	0.363	S	S	.	.	S	Bend	trans	-124.1	89.3	177.7	-63	-176.8	-178.2	-170.2	0.2	109.6	C91 F117 L118 R119 S123	C91-R121 VanDerWaalsContact SG-CZ 3.57Å; C91-R121 PolarHBondContact SG-NH1 2.93Å; C91-R121 PolarHBondContact SG-NH2 2.87Å; F117-R121 PolarHBondContact O-N 3.19Å; L118-R121 CarbonylContact O-C 3.4Å; R119-R121 VanDerWaalsContact C-N 3.32Å; R121-S123 PolarHBondContact O-N 2.81Å; R121-S123 VanDerWaalsContact O-N 3.09Å
122	P	58.8	Low	72.9	Confident	117 Å²	117	65.5 Å²	65.5	76%	0.76	37%	0.368	S	S	*	.			trans	-48.6	123.8	173.3	-22.8	31.6	0	0	0	109.1	L124	P122-L124 PolarHBondContact O-N 3.41Å
123	S	54.9	Low	73	Confident	37 Å²	37	65 Å²	65	26%	0.259	37%	0.365	S	S	.	.			trans	-49.5	126.5	-176.5	177.4	0	0	0	0	110.8	R121 S125	R121-S123 PolarHBondContact O-N 2.81Å; R121-S123 VanDerWaalsContact O-N 3.09Å; S123-S125 PolarHBondContact O-N 3.34Å; S123-S125 WeakPolarHBondContact OG-CB 3.41Å; S123-S125 PolarHBondContact OG-N 3.02Å
124	L	48.7	Very low	73.1	Confident	175 Å²	175	64.6 Å²	64.6	92%	0.916	36%	0.364	S	S	*	.			trans	-67.5	12.1	164.8	-85.3	150.9	0	0	0	112.4	P122 A126	P122-L124 PolarHBondContact O-N 3.41Å; L124-A126 PolarHBondContact O-N 2.93Å
125	S	51.1	Low	73.2	Confident	18 Å²	18	64.6 Å²	64.6	13%	0.126	36%	0.364	C	S	.	.			trans	-58	111.6	172.1	176.3	0	0	0	0	109.1	S123 K127 G128	S123-S125 PolarHBondContact O-N 3.34Å; S123-S125 WeakPolarHBondContact OG-CB 3.41Å; S123-S125 PolarHBondContact OG-N 3.02Å; S125-K127 PolarHBondContact O-N 3.38Å; S125-K127 PolarHBondContact OG-N 3.24Å; S125-G128 PolarHBondContact O-N 3.07Å
126	A	45.5	Very low	73.4	Confident	110 Å²	110	64.5 Å²	64.5	91%	0.909	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-13.4	173.7	0	0	0	0	0	113.3	L124	L124-A126 PolarHBondContact O-N 2.93Å
127	K	50.3	Low	73.5	Confident	162 Å²	162	61.8 Å²	61.8	70%	0.704	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	2	-177.8	-62.8	-179.4	-177.5	170.4	0	114.5	S125 A129 D197	S125-K127 PolarHBondContact O-N 3.38Å; S125-K127 PolarHBondContact OG-N 3.24Å; K127-A129 PolarHBondContact O-N 2.99Å; K127-D197 IonicContact NZ-OD2 3.49Å
128	G	50.2	Low	73.6	Confident	75 Å²	75	62.6 Å²	62.6	77%	0.773	36%	0.355	S	S	*	.			trans	64.8	4.1	177.8	0	0	0	0	0	115.6	S125	S125-G128 PolarHBondContact O-N 3.07Å
129	A	57.6	Low	73.5	Confident	56 Å²	56	63.2 Å²	63.2	46%	0.463	36%	0.356	S	S	.	.			trans	-76.8	129.8	-179.8	0	0	0	0	0	110.9	K127 R131	K127-A129 PolarHBondContact O-N 2.99Å; A129-R131 PolarHBondContact O-N 3.23Å
130	R	62.9	Low	73.7	Confident	173 Å²	173	65.3 Å²	65.3	65%	0.653	36%	0.364	S	S	*	.			trans	-68.1	113.1	173.7	-165.6	175.3	-168.6	179.2	-1	108.6	L177	R130-L177 HydrophobicContact CG-CD2 4.07Å; R130-L177 VanDerWaalsContact CZ-CD2 3.43Å; R130-L177 VanDerWaalsContact NH2-CD1 3.27Å
131	R	80.2	Confident	74	Confident	28 Å²	28	61.3 Å²	61.3	11%	0.106	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-86.6	145.7	178.3	-66.6	-176.2	176.5	159.5	-14.1	111.1	A129 Q200 D230	A129-R131 PolarHBondContact O-N 3.23Å; R131-Q200 HydrophobicContact CB-CB 3.64Å; R131-Q200 HydrophobicContact CG-CB 4.37Å; R131-D230 IonicContact CZ-OD2 2.95Å; R131-D230 IonicContact NH1-OD2 2.98Å; R131-D230 PolarHBondContact NH1-OD2 2.73Å; R131-D230 IonicContact NH2-OD2 3.33Å; R131-D230 PolarHBondContact NH2-OD2 3.47Å
132	A	92.6	Very high	74.8	Confident	12 Å²	12	56 Å²	56	10%	0.099	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	173.7	-177.3	0	0	0	0	0	112.3	L177 G198 Y199 Q200	A132-L177 CarbonylContact C-O 3.55Å; A132-L177 WeakPolarHBondContact CA-O 3.28Å; A132-L177 WeakPolarHBondContact CB-O 3.41Å; A132-G198 PolarHBondContact N-O 3.47Å; A132-Y199 HydrophobicContact CB-CD1 3.99Å; A132-Y199 HydrophobicContact CB-CE1 4.16Å; A132-Y199 WeakPolarHBondContact O-CA 3.35Å; A132-Q200 PolarHBondContact O-N 2.51Å
133	V	96.6	Very high	76.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.5	168	-178.8	0	0	0	0	108.4	P111 C114 V115 L118 L177 L178 K179 V201 L203	P111-V133 HydrophobicContact CB-CG1 4.41Å; C114-V133 HydrophobicContact CB-CG1 3.95Å; C114-V133 HydrophobicContact CB-CG2 3.85Å; V115-V133 HydrophobicContact CG2-CB 4.29Å; V115-V133 HydrophobicContact CG2-CG2 3.81Å; L118-V133 HydrophobicContact CD1-CG2 3.56Å; L118-V133 HydrophobicContact CG-CG2 4.29Å; V133-L177 PolarHBondContact N-O 2.65Å; V133-L178 HydrophobicContact CB-CD1 3.92Å; V133-L178 HydrophobicContact CG1-CD1 3.79Å; V133-K179 PolarHBondContact O-N 3.27Å; V133-V201 WeakPolarHBondContact CA-O 3.22Å; V133-V201 HydrophobicContact CG1-CB 4.31Å; V133-V201 HydrophobicContact CG2-CB 4.28Å; V133-L203 HydrophobicContact CG1-CD1 3.22Å
134	A	97.4	Very high	78	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128	169.3	0	0	0	0	0	109.3	L181 L186 Y199 V201 I202 L203	A134-L181 HydrophobicContact CB-CD2 3.84Å; A134-L186 HydrophobicContact CB-CD1 4.46Å; A134-Y199 HydrophobicContact CB-CD1 3.52Å; A134-Y199 HydrophobicContact CB-CD2 4.25Å; A134-Y199 HydrophobicContact CB-CE1 3.64Å; A134-Y199 HydrophobicContact CB-CE2 4.34Å; A134-Y199 HydrophobicContact CB-CG 3.85Å; A134-V201 PolarHBondContact N-O 3.39Å; A134-I202 HydrophobicContact CB-CG1 4.25Å; A134-I202 CarbonylContact O-C 3.56Å; A134-I202 WeakPolarHBondContact O-CA 3.34Å; A134-L203 WeakPolarHBondContact O-CD1 3.48Å; A134-L203 PolarHBondContact O-N 2.93Å
135	C	97.8	Very high	79.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	112.3	169.5	-174.4	0	0	0	0	108.9	P111 K179 Y180 L181 L203	P111-C135 HydrophobicContact CB-CB 4.34Å; P111-C135 HydrophobicContact CG-CB 3.99Å; C135-K179 PolarHBondContact N-O 3.41Å; C135-Y180 HydrophobicContact CB-CD1 3.7Å; C135-Y180 HydrophobicContact CB-CE1 3.68Å; C135-Y180 WeakPolarHBondContact O-CA 3.44Å; C135-L181 PolarHBondContact O-N 2.96Å; C135-L203 HydrophobicContact CB-CB 4.3Å; C135-L203 HydrophobicContact CB-CD1 4.31Å
136	T	97.3	Very high	81.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	147.9	-177.7	80.9	0	0	0	0	110.9	L181 D183 L186 L203 L204 D205 L217	T136-L181 CarbonylContact C-O 3.59Å; T136-L181 WeakPolarHBondContact CA-O 3.32Å; T136-D183 WeakPolarHBondContact CB-OD1 3.38Å; T136-D183 PolarHBondContact OG1-OD1 3.23Å; T136-L186 HydrophobicContact CG2-CB 4.16Å; T136-L186 HydrophobicContact CG2-CD2 3.47Å; T136-L186 VanDerWaalsContact CG2-CD2 3.47Å; T136-L186 HydrophobicContact CG2-CG 4.44Å; T136-L203 PolarHBondContact N-O 2.84Å; T136-L204 HydrophobicContact CG2-CD2 3.89Å; T136-D205 WeakPolarHBondContact O-CB 3.47Å; T136-D205 PolarHBondContact O-N 3.24Å; T136-L217 HydrophobicContact CG2-CD1 4.37Å
137	Q	94.3	Very high	84.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.4	174.3	-66.2	-68.5	-53.4	0	0	108.6	T107 R139 A142 A143 L181 T182 D183 D205	T107-Q137 VanDerWaalsContact CG2-NE2 3.26Å; Q137-R139 PolarHBondContact O-N 3.49Å; Q137-R139 VanDerWaalsContact O-N 3.08Å; Q137-A142 HydrophobicContact CB-CB 4.32Å; Q137-A142 HydrophobicContact CG-CB 4.45Å; Q137-A143 HydrophobicContact CB-CB 4.1Å; Q137-A143 HydrophobicContact CG-CB 4.31Å; Q137-L181 PolarHBondContact N-O 3.49Å; Q137-T182 VanDerWaalsContact O-CA 3.24Å; Q137-T182 WeakPolarHBondContact O-CA 3.42Å; Q137-D183 PolarHBondContact N-OD1 2.93Å; Q137-D183 PolarHBondContact O-N 3.48Å; Q137-D205 PolarHBondContact NE2-OD2 3.43Å
138	P	89.9	Confident	86.1	Confident	28 Å²	28	31.9 Å²	31.9	18%	0.182	18%	0.177	C	C	.	.	S	Bend	trans	-56.4	-29.6	175.3	-30.9	38.2	0	0	0	113.6	E206 E209 T211	P138-E206 HydrophobicContact CG-CB 3.95Å; P138-E209 HydrophobicContact CG-CB 4.19Å; P138-E209 HydrophobicContact CG-CG 4.4Å; P138-T211 HydrophobicContact CB-CG2 3.83Å; P138-T211 HydrophobicContact CG-CG2 4.34Å
139	R	86.4	Confident	88	Confident	36 Å²	36	32.6 Å²	32.6	14%	0.136	16%	0.156	C	C	.	.	S	Bend	trans	-115.9	133.1	-169.6	-63.6	168.2	-171.6	-163.2	-6.7	112.2	Q137 V141 A142 A143 E209 N367 I368 T371	Q137-R139 PolarHBondContact O-N 3.49Å; Q137-R139 VanDerWaalsContact O-N 3.08Å; R139-V141 VanDerWaalsContact C-N 3.3Å; R139-V141 PolarHBondContact O-N 2.92Å; R139-A142 HydrophobicContact CB-CB 4.1Å; R139-A142 WeakPolarHBondContact O-CB 3.38Å; R139-A142 PolarHBondContact O-N 2.97Å; R139-A143 PolarHBondContact O-N 2.95Å; R139-E209 IonicContact CZ-OE1 3.97Å; R139-E209 IonicContact CZ-OE2 3.12Å; R139-E209 IonicContact NE-OE1 3.18Å; R139-E209 PolarHBondContact NE-OE1 2.68Å; R139-E209 IonicContact NE-OE2 2.68Å; R139-E209 PolarHBondContact NE-OE2 3.05Å; R139-E209 VanDerWaalsContact NE-OE2 3.11Å; R139-E209 IonicContact NH2-OE1 2.83Å; R139-E209 IonicContact NH2-OE2 2.81Å; R139-E209 PolarHBondContact NH2-OE2 2.92Å; R139-E209 VanDerWaalsContact NH2-OE2 3.08Å; R139-N367 VanDerWaalsContact CZ-O 3.31Å; R139-N367 PolarHBondContact NH1-O 3.1Å; R139-N367 PolarHBondContact NH2-O 2.89Å; R139-I368 PolarHBondContact NH1-O 2.91Å; R139-T371 PolarHBondContact NE-OG1 3.49Å; R139-T371 PolarHBondContact NH1-OG1 3.25Å; R139-T371 PolarHBondContact NH2-OG1 2.73Å
140	R	86.7	Confident	89.8	Confident	126 Å²	126	30 Å²	30	48%	0.475	13%	0.134	S	C	.	.	H	α-helix	trans	-54.1	-45.2	176.3	-66	177.2	64	-175.4	1.2	112.7	A142 A143 M144 I166 T182	R140-A142 VanDerWaalsContact C-N 3.33Å; R140-A142 PolarHBondContact O-N 3.41Å; R140-A143 PolarHBondContact O-N 3.21Å; R140-M144 WeakPolarHBondContact O-CG 3.39Å; R140-M144 PolarHBondContact O-N 3.4Å; R140-I166 HydrophobicContact CB-CD1 4.4Å; R140-I166 HydrophobicContact CB-CG2 4.39Å; R140-I166 HydrophobicContact CG-CB 4.28Å; R140-I166 HydrophobicContact CG-CG2 4.42Å; R140-T182 HydrophobicContact CB-CG2 4.47Å; R140-T182 HydrophobicContact CG-CG2 3.87Å
141	V	83.5	Confident	91.3	Very high	21 Å²	21	21.9 Å²	21.9	13%	0.127	10%	0.104	C	C	.	.	H	α-helix	trans	-65	-39.1	-177.5	-173.4	0	0	0	0	111.4	R139 S145 Q342 I368 L373	R139-V141 VanDerWaalsContact C-N 3.3Å; R139-V141 PolarHBondContact O-N 2.92Å; V141-S145 WeakPolarHBondContact O-CB 3.14Å; V141-S145 PolarHBondContact O-N 3.24Å; V141-Q342 HydrophobicContact CG1-CB 4.49Å; V141-I368 HydrophobicContact CB-CD1 4.26Å; V141-I368 HydrophobicContact CG2-CD1 3.73Å; V141-L373 HydrophobicContact CG1-CD1 4.3Å; V141-L373 HydrophobicContact CG1-CD2 4.41Å
142	A	87.4	Confident	92	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-64.5	-48.8	175.4	0	0	0	0	0	110.8	Q137 R139 R140 M144 S145 V146 S372	Q137-A142 HydrophobicContact CB-CB 4.32Å; Q137-A142 HydrophobicContact CG-CB 4.45Å; R139-A142 HydrophobicContact CB-CB 4.1Å; R139-A142 WeakPolarHBondContact O-CB 3.38Å; R139-A142 PolarHBondContact O-N 2.97Å; R140-A142 VanDerWaalsContact C-N 3.33Å; R140-A142 PolarHBondContact O-N 3.41Å; A142-M144 PolarHBondContact O-N 3.28Å; A142-S145 PolarHBondContact O-N 3.01Å; A142-V146 WeakPolarHBondContact O-CB 3.32Å; A142-V146 WeakPolarHBondContact O-CG2 3.44Å; A142-V146 PolarHBondContact O-N 2.85Å; A142-S372 VanDerWaalsContact CB-CB 3.47Å
143	A	91.5	Very high	92	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-54.9	-48.5	176.8	0	0	0	0	0	112.4	Q137 R139 R140 A147 I166	Q137-A143 HydrophobicContact CB-CB 4.1Å; Q137-A143 HydrophobicContact CG-CB 4.31Å; R139-A143 PolarHBondContact O-N 2.95Å; R140-A143 PolarHBondContact O-N 3.21Å; A143-A147 WeakPolarHBondContact O-CB 3.44Å; A143-A147 PolarHBondContact O-N 3.4Å; A143-I166 HydrophobicContact CB-CG2 4.1Å
144	M	89.6	Confident	91.9	Very high	26 Å²	26	23.7 Å²	23.7	13%	0.128	11%	0.112	C	C	.	.	H	α-helix	trans	-66.7	-48.1	179.9	-65.4	174.1	77.5	0	0	112.6	R140 A142 A147 T148 Y164 I166 P339	R140-M144 WeakPolarHBondContact O-CG 3.39Å; R140-M144 PolarHBondContact O-N 3.4Å; A142-M144 PolarHBondContact O-N 3.28Å; M144-A147 PolarHBondContact O-N 3.26Å; M144-T148 WeakPolarHBondContact O-CB 3.5Å; M144-T148 PolarHBondContact O-N 3.42Å; M144-T148 PolarHBondContact O-OG1 2.94Å; M144-Y164 HydrophobicContact CE-CE2 4.24Å; M144-Y164 HydrophobicContact CG-CD2 3.89Å; M144-Y164 HydrophobicContact CG-CE1 4.39Å; M144-Y164 HydrophobicContact CG-CE2 3.72Å; M144-Y164 HydrophobicContact CG-CG 4.31Å; M144-I166 HydrophobicContact CG-CD1 3.91Å; M144-I166 HydrophobicContact SD-CD1 3.54Å; M144-I166 VanDerWaalsContact SD-CD1 3.54Å; M144-P339 HydrophobicContact CE-CB 4.14Å; M144-P339 HydrophobicContact CE-CG 3.96Å; M144-P339 HydrophobicContact SD-CG 4.39Å
145	S	87	Confident	91.9	Very high	33 Å²	33	25.7 Å²	25.7	23%	0.231	12%	0.123	C	C	.	.	H	α-helix	trans	-67.2	-44.6	-176.1	179.6	0	0	0	0	111.3	V141 A142 T148 R149	V141-S145 WeakPolarHBondContact O-CB 3.14Å; V141-S145 PolarHBondContact O-N 3.24Å; A142-S145 PolarHBondContact O-N 3.01Å; S145-T148 PolarHBondContact O-N 3Å; S145-R149 WeakPolarHBondContact O-CB 3.38Å; S145-R149 PolarHBondContact O-N 2.86Å
146	V	91.5	Very high	91.7	Very high	12 Å²	12	26.5 Å²	26.5	7%	0.073	13%	0.128	C	C	.	.	H	α-helix	trans	-66	-44	176.9	174.4	0	0	0	0	110.5	T107 T108 A142 T148 R149 V150 Y180	T107-V146 HydrophobicContact CG2-CB 4.28Å; T107-V146 HydrophobicContact CG2-CG1 3.68Å; T107-V146 HydrophobicContact CG2-CG2 3.73Å; T108-V146 HydrophobicContact CG2-CG1 4.41Å; A142-V146 WeakPolarHBondContact O-CB 3.32Å; A142-V146 WeakPolarHBondContact O-CG2 3.44Å; A142-V146 PolarHBondContact O-N 2.85Å; V146-T148 VanDerWaalsContact C-N 3.31Å; V146-T148 PolarHBondContact O-N 3.33Å; V146-R149 PolarHBondContact O-N 3.28Å; V146-V150 HydrophobicContact CG1-CG2 3.99Å; V146-V150 WeakPolarHBondContact O-CB 3.48Å; V146-V150 VanDerWaalsContact O-CG2 3.27Å; V146-V150 WeakPolarHBondContact O-CG2 2.96Å; V146-V150 PolarHBondContact O-N 3.44Å; V146-Y180 HydrophobicContact CB-CD1 4.42Å; V146-Y180 HydrophobicContact CB-CE1 4.41Å; V146-Y180 HydrophobicContact CG1-CD1 3.81Å; V146-Y180 HydrophobicContact CG1-CE1 3.35Å; V146-Y180 HydrophobicContact CG1-CE2 4.18Å; V146-Y180 HydrophobicContact CG1-CG 4.4Å
147	A	94.5	Very high	91.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-43.7	176.6	0	0	0	0	0	112	A143 M144 V150 A151 L158 V162 Y164 Y180	A143-A147 WeakPolarHBondContact O-CB 3.44Å; A143-A147 PolarHBondContact O-N 3.4Å; M144-A147 PolarHBondContact O-N 3.26Å; A147-V150 PolarHBondContact O-N 3.37Å; A147-A151 VanDerWaalsContact O-CB 3.31Å; A147-A151 WeakPolarHBondContact O-CB 3.37Å; A147-A151 PolarHBondContact O-N 3.22Å; A147-L158 HydrophobicContact CB-CD1 3.9Å; A147-V162 WeakPolarHBondContact O-CG1 3.4Å; A147-Y164 HydrophobicContact CB-CD1 3.93Å; A147-Y164 HydrophobicContact CB-CG 4.36Å; A147-Y180 HydrophobicContact CB-CD2 3.74Å; A147-Y180 HydrophobicContact CB-CG 4.2Å
148	T	92.1	Very high	91.6	Very high	43 Å²	43	39.6 Å²	39.6	26%	0.264	18%	0.182	S	C	.	.	H	α-helix	trans	-59.9	-49.9	175.4	-55.1	0	0	0	0	110.5	M144 S145 V146 V150 A151 E152 L158	M144-T148 WeakPolarHBondContact O-CB 3.5Å; M144-T148 PolarHBondContact O-N 3.42Å; M144-T148 PolarHBondContact O-OG1 2.94Å; S145-T148 PolarHBondContact O-N 3Å; V146-T148 VanDerWaalsContact C-N 3.31Å; V146-T148 PolarHBondContact O-N 3.33Å; T148-V150 VanDerWaalsContact C-N 3.35Å; T148-V150 PolarHBondContact O-N 3.31Å; T148-A151 PolarHBondContact O-N 2.88Å; T148-E152 WeakPolarHBondContact O-CG 3.42Å; T148-E152 PolarHBondContact O-N 2.91Å; T148-E152 VanDerWaalsContact O-N 3.15Å; T148-L158 HydrophobicContact CG2-CD2 4.44Å; T148-L158 WeakPolarHBondContact OG1-CD2 3.43Å
149	R	90.3	Very high	91.8	Very high	90 Å²	90	38.9 Å²	38.9	34%	0.34	18%	0.18	S	C	.	.	H	α-helix	trans	-59.9	-44.4	178.6	175	56.9	-177	-158.2	-7	112	T108 S145 V146 E152 E153	T108-R149 HydrophobicContact CG2-CG 4.4Å; S145-R149 WeakPolarHBondContact O-CB 3.38Å; S145-R149 PolarHBondContact O-N 2.86Å; V146-R149 PolarHBondContact O-N 3.28Å; R149-E152 WeakPolarHBondContact O-CB 3.31Å; R149-E152 PolarHBondContact O-N 3.12Å; R149-E153 HydrophobicContact CG-CG 4.46Å; R149-E153 IonicContact CZ-OE1 2.63Å; R149-E153 IonicContact NE-OE1 2.95Å; R149-E153 PolarHBondContact NE-OE1 3.33Å; R149-E153 IonicContact NH2-OE1 3.33Å; R149-E153 PolarHBondContact NH2-OE1 2.97Å; R149-E153 WeakPolarHBondContact O-CG 3.43Å; R149-E153 PolarHBondContact O-N 3.34Å
150	V	95.2	Very high	92.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-73	-31.9	-177.1	173.5	0	0	0	0	111.4	T108 Q112 V146 A147 T148 E152 E153 M154 V162 L178 Y180	T108-V150 HydrophobicContact CG2-CG2 4.11Å; Q112-V150 HydrophobicContact CG-CG1 3.78Å; V146-V150 HydrophobicContact CG1-CG2 3.99Å; V146-V150 WeakPolarHBondContact O-CB 3.48Å; V146-V150 VanDerWaalsContact O-CG2 3.27Å; V146-V150 WeakPolarHBondContact O-CG2 2.96Å; V146-V150 PolarHBondContact O-N 3.44Å; A147-V150 PolarHBondContact O-N 3.37Å; T148-V150 VanDerWaalsContact C-N 3.35Å; T148-V150 PolarHBondContact O-N 3.31Å; V150-E152 VanDerWaalsContact C-N 3.33Å; V150-E152 PolarHBondContact O-N 2.97Å; V150-E153 PolarHBondContact O-N 2.86Å; V150-M154 HydrophobicContact CG1-CG 4.16Å; V150-M154 HydrophobicContact CG1-SD 3.82Å; V150-M154 WeakPolarHBondContact O-CB 3.49Å; V150-M154 WeakPolarHBondContact O-CG 3.48Å; V150-M154 PolarHBondContact O-N 3.1Å; V150-V162 HydrophobicContact CB-CG1 4.42Å; V150-V162 HydrophobicContact CG1-CG1 4.29Å; V150-V162 HydrophobicContact CG1-CG2 4.32Å; V150-L178 HydrophobicContact CG1-CD2 3.68Å; V150-Y180 HydrophobicContact CB-CE2 3.95Å; V150-Y180 HydrophobicContact CG1-CE2 4.05Å; V150-Y180 HydrophobicContact CG2-CE2 4.16Å; V150-Y180 WeakPolarHBondContact CG2-OH 3.39Å
151	A	95.6	Very high	92.5	Very high	3 Å²	3	32.3 Å²	32.3	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-60.3	-43	169.4	0	0	0	0	0	111.5	A147 T148 M154 D155 V156 L158 V162	A147-A151 VanDerWaalsContact O-CB 3.31Å; A147-A151 WeakPolarHBondContact O-CB 3.37Å; A147-A151 PolarHBondContact O-N 3.22Å; T148-A151 PolarHBondContact O-N 2.88Å; A151-M154 PolarHBondContact O-N 2.78Å; A151-D155 PolarHBondContact O-N 3Å; A151-V156 HydrophobicContact CB-CG2 4.17Å; A151-V156 PolarHBondContact O-N 3.4Å; A151-L158 HydrophobicContact CB-CB 4.16Å; A151-L158 HydrophobicContact CB-CD1 4.18Å; A151-V162 HydrophobicContact CB-CB 4.04Å; A151-V162 HydrophobicContact CB-CG1 4.18Å
152	E	93.9	Very high	93.2	Very high	58 Å²	58	31.3 Å²	31.3	27%	0.271	15%	0.151	S	C	.	.	H	α-helix	trans	-65.6	-41.4	173.4	-62.6	178.4	160	0	0	112.4	R66 L70 T148 R149 V150 M154 D155	R66-E152 VanDerWaalsContact CZ-CD 3.45Å; R66-E152 IonicContact CZ-OE1 2.65Å; R66-E152 VanDerWaalsContact CZ-OE1 3.32Å; R66-E152 IonicContact CZ-OE2 2.58Å; R66-E152 IonicContact NH1-OE1 2.96Å; R66-E152 PolarHBondContact NH1-OE1 3.32Å; R66-E152 IonicContact NH2-OE1 3.51Å; R66-E152 PolarHBondContact NH2-OE1 3.01Å; R66-E152 IonicContact NH2-OE2 2.76Å; R66-E152 PolarHBondContact NH2-OE2 3.15Å; L70-E152 HydrophobicContact CD1-CB 4.21Å; T148-E152 WeakPolarHBondContact O-CG 3.42Å; T148-E152 PolarHBondContact O-N 2.91Å; T148-E152 VanDerWaalsContact O-N 3.15Å; R149-E152 WeakPolarHBondContact O-CB 3.31Å; R149-E152 PolarHBondContact O-N 3.12Å; V150-E152 VanDerWaalsContact C-N 3.33Å; V150-E152 PolarHBondContact O-N 2.97Å; E152-M154 VanDerWaalsContact C-N 3.3Å; E152-M154 PolarHBondContact O-N 2.94Å; E152-D155 PolarHBondContact O-N 2.94Å
153	E	94.4	Very high	93.6	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.019	15%	0.151	C	C	.	.	H	α-helix	trans	-66.8	-30	178.4	-76.7	-169.4	-170.8	0	0	113.2	Y67 L70 R74 Q109 Q112 R149 V150	Y67-E153 VanDerWaalsContact CD2-O 3.23Å; Y67-E153 WeakPolarHBondContact CD2-O 3.34Å; Y67-E153 VanDerWaalsContact CE2-O 3.27Å; Y67-E153 WeakPolarHBondContact CE2-O 3.3Å; L70-E153 HydrophobicContact CD1-CG 4.28Å; R74-E153 VanDerWaalsContact CD-CD 3.43Å; R74-E153 WeakPolarHBondContact CD-OE2 3.42Å; R74-E153 IonicContact CZ-OE2 3.92Å; R74-E153 VanDerWaalsContact CZ-OE2 3.31Å; R74-E153 IonicContact NE-OE2 3.22Å; R74-E153 PolarHBondContact NE-OE2 3.36Å; R74-E153 PolarHBondContact NH1-O 3.44Å; R74-E153 IonicContact NH1-OE2 3.8Å; R74-E153 IonicContact NH2-OE2 3.81Å; Q109-E153 PolarHBondContact NE2-OE2 2.68Å; Q112-E153 PolarHBondContact NE2-OE2 3.07Å; R149-E153 HydrophobicContact CG-CG 4.46Å; R149-E153 IonicContact CZ-OE1 2.63Å; R149-E153 IonicContact NE-OE1 2.95Å; R149-E153 PolarHBondContact NE-OE1 3.33Å; R149-E153 IonicContact NH2-OE1 3.33Å; R149-E153 PolarHBondContact NH2-OE1 2.97Å; R149-E153 WeakPolarHBondContact O-CG 3.43Å; R149-E153 PolarHBondContact O-N 3.34Å; V150-E153 PolarHBondContact O-N 2.86Å
154	M	94.4	Very high	93.8	Very high	17 Å²	17	32.2 Å²	32.2	8%	0.084	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-0.1	175.4	-66.6	-177.7	71.4	0	0	113	N56 L58 Q112 V115 V150 A151 E152 V156 V162 L178	N56-M154 PolarHBondContact ND2-O 3.49Å; L58-M154 HydrophobicContact CD1-CE 3.54Å; Q112-M154 HydrophobicContact CG-CG 3.95Å; Q112-M154 HydrophobicContact CG-SD 3.78Å; Q112-M154 VanDerWaalsContact OE1-CG 3.24Å; V115-M154 HydrophobicContact CG1-CE 4.14Å; V150-M154 HydrophobicContact CG1-CG 4.16Å; V150-M154 HydrophobicContact CG1-SD 3.82Å; V150-M154 WeakPolarHBondContact O-CB 3.49Å; V150-M154 WeakPolarHBondContact O-CG 3.48Å; V150-M154 PolarHBondContact O-N 3.1Å; A151-M154 PolarHBondContact O-N 2.78Å; E152-M154 VanDerWaalsContact C-N 3.3Å; E152-M154 PolarHBondContact O-N 2.94Å; M154-V156 VanDerWaalsContact C-N 3.34Å; M154-V156 HydrophobicContact CB-CG2 4.08Å; M154-V156 PolarHBondContact O-N 3.15Å; M154-V162 HydrophobicContact CB-CG2 4.44Å; M154-V162 HydrophobicContact CE-CG2 4.36Å; M154-V162 HydrophobicContact CG-CG2 4.44Å; M154-V162 HydrophobicContact SD-CG2 3.42Å; M154-V162 WeakPolarHBondContact SD-CG2 3.38Å; M154-L178 HydrophobicContact SD-CD2 4.11Å
155	D	95.7	Very high	94	Very high	41 Å²	41	31.1 Å²	31.1	22%	0.219	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	44.1	-179.4	-152.8	39.6	0	0	0	113	N56 Y63 S64 Y67 A151 E152	N56-D155 PolarHBondContact ND2-O 2.84Å; Y63-D155 WeakPolarHBondContact CA-OD2 3.46Å; Y63-D155 HydrophobicContact CD1-CB 4.19Å; S64-D155 VanDerWaalsContact CB-OD1 3.28Å; S64-D155 WeakPolarHBondContact CB-OD1 3.31Å; S64-D155 PolarHBondContact N-OD2 3.2Å; S64-D155 PolarHBondContact OG-OD1 2.79Å; S64-D155 PolarHBondContact OG-OD2 3.19Å; Y67-D155 HydrophobicContact CD2-CB 3.95Å; Y67-D155 HydrophobicContact CG-CB 4.24Å; A151-D155 PolarHBondContact O-N 3Å; E152-D155 PolarHBondContact O-N 2.94Å
156	V	95.5	Very high	94.2	Very high	18 Å²	18	29.6 Å²	29.6	11%	0.109	14%	0.139	C	C	.	.			trans	-125.8	162.9	179.9	-62.4	0	0	0	0	111.8	L58 T59 A151 M154 E161 V162	L58-V156 HydrophobicContact CB-CG1 4.26Å; L58-V156 HydrophobicContact CD1-CG1 4.03Å; T59-V156 HydrophobicContact CG2-CG1 4.02Å; A151-V156 HydrophobicContact CB-CG2 4.17Å; A151-V156 PolarHBondContact O-N 3.4Å; M154-V156 VanDerWaalsContact C-N 3.34Å; M154-V156 HydrophobicContact CB-CG2 4.08Å; M154-V156 PolarHBondContact O-N 3.15Å; V156-E161 HydrophobicContact CB-CB 4.37Å; V156-E161 HydrophobicContact CG1-CB 4.15Å; V156-E161 HydrophobicContact CG1-CG 4.41Å; V156-E161 HydrophobicContact CG2-CB 4.36Å; V156-V162 HydrophobicContact CG2-CB 4.06Å; V156-V162 HydrophobicContact CG2-CG2 3.76Å
157	R	94.4	Very high	93.8	Very high	212 Å²	212	33.4 Å²	33.4	80%	0.8	15%	0.152	S	C	*	.			trans	-79.4	131.6	174.3	-65	-177	-177.6	175.2	1	109.6	G159 A160	R157-G159 PolarHBondContact O-N 3.31Å; R157-A160 HydrophobicContact CB-CB 4.36Å; R157-A160 WeakPolarHBondContact O-CB 3.42Å; R157-A160 PolarHBondContact O-N 2.99Å
158	L	94.5	Very high	93	Very high	62 Å²	62	35.3 Å²	35.3	33%	0.325	16%	0.16	S	C	.	.	B	Isolated β-bridge	trans	-56.7	134.5	171.9	-174.8	63.7	0	0	0	110.4	A147 T148 A151 A160 V162 Y164	A147-L158 HydrophobicContact CB-CD1 3.9Å; T148-L158 HydrophobicContact CG2-CD2 4.44Å; T148-L158 WeakPolarHBondContact OG1-CD2 3.43Å; A151-L158 HydrophobicContact CB-CB 4.16Å; A151-L158 HydrophobicContact CB-CD1 4.18Å; L158-A160 VanDerWaalsContact C-N 3.31Å; L158-V162 CarbonylContact C-O 3.56Å; L158-Y164 HydrophobicContact CD1-CD1 4.19Å; L158-Y164 HydrophobicContact CD1-CE1 4.5Å; L158-Y164 HydrophobicContact CD2-CD1 4.48Å; L158-Y164 HydrophobicContact CD2-CE1 4.01Å; L158-Y164 HydrophobicContact CG-CE1 4.41Å
159	G	93.7	Very high	92.5	Very high	14 Å²	14	36.8 Å²	36.8	14%	0.144	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-11.8	-173.8	0	0	0	0	0	114.6	R157 V162 C171 S172 S173	R157-G159 PolarHBondContact O-N 3.31Å; G159-V162 PolarHBondContact N-O 2.86Å; G159-C171 WeakPolarHBondContact CA-O 3.45Å; G159-S172 CarbonylContact O-C 3.54Å; G159-S173 VanDerWaalsContact O-CB 3.22Å; G159-S173 WeakPolarHBondContact O-CB 3.26Å; G159-S173 PolarHBondContact O-N 3.06Å; G159-S173 PolarHBondContact O-OG 2.88Å
160	A	94	Very high	92.5	Very high	7 Å²	7	37.3 Å²	37.3	6%	0.058	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-105.5	170.8	0	0	0	0	0	110	R157 L158 S173 R175 T176	R157-A160 HydrophobicContact CB-CB 4.36Å; R157-A160 WeakPolarHBondContact O-CB 3.42Å; R157-A160 PolarHBondContact O-N 2.99Å; L158-A160 VanDerWaalsContact C-N 3.31Å; A160-S173 PolarHBondContact O-OG 3.33Å; A160-R175 CarbonylContact O-C 3.56Å; A160-T176 WeakPolarHBondContact O-CA 3.35Å; A160-T176 WeakPolarHBondContact O-CB 3.25Å; A160-T176 PolarHBondContact O-N 3.27Å; A160-T176 VanDerWaalsContact O-N 3.14Å; A160-T176 PolarHBondContact O-OG1 3.48Å
161	E	94.8	Very high	92.4	Very high	17 Å²	17	39 Å²	39	8%	0.079	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-29.6	-177	-64.2	74.9	-160.9	0	0	113.3	L58 V156 R175 L177 L178	L58-E161 HydrophobicContact CB-CG 4.26Å; L58-E161 HydrophobicContact CD1-CB 4.38Å; V156-E161 HydrophobicContact CB-CB 4.37Å; V156-E161 HydrophobicContact CG1-CB 4.15Å; V156-E161 HydrophobicContact CG1-CG 4.41Å; V156-E161 HydrophobicContact CG2-CB 4.36Å; E161-R175 IonicContact OE1-NH1 3.08Å; E161-R175 PolarHBondContact OE1-NH1 3.43Å; E161-L177 PolarHBondContact O-N 2.85Å; E161-L178 PolarHBondContact O-N 2.8Å
162	V	97	Very high	92.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.7	170.4	178.3	0	0	0	0	108.3	A147 V150 A151 M154 V156 L158 G159 L178 Y180	A147-V162 WeakPolarHBondContact O-CG1 3.4Å; V150-V162 HydrophobicContact CB-CG1 4.42Å; V150-V162 HydrophobicContact CG1-CG1 4.29Å; V150-V162 HydrophobicContact CG1-CG2 4.32Å; A151-V162 HydrophobicContact CB-CB 4.04Å; A151-V162 HydrophobicContact CB-CG1 4.18Å; M154-V162 HydrophobicContact CB-CG2 4.44Å; M154-V162 HydrophobicContact CE-CG2 4.36Å; M154-V162 HydrophobicContact CG-CG2 4.44Å; M154-V162 HydrophobicContact SD-CG2 3.42Å; M154-V162 WeakPolarHBondContact SD-CG2 3.38Å; V156-V162 HydrophobicContact CG2-CB 4.06Å; V156-V162 HydrophobicContact CG2-CG2 3.76Å; L158-V162 CarbonylContact C-O 3.56Å; G159-V162 PolarHBondContact N-O 2.86Å; V162-L178 WeakPolarHBondContact CA-O 3.38Å; V162-L178 HydrophobicContact CG2-CB 4.32Å; V162-L178 HydrophobicContact CG2-CD2 4.37Å; V162-Y180 HydrophobicContact CG1-CD2 4.39Å; V162-Y180 HydrophobicContact CG1-CE2 4.29Å
163	G	96.7	Very high	92.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	177.6	-179.2	0	0	0	0	0	112.7	C171 L178 Y180	G163-C171 CarbonylContact C-O 3.53Å; G163-C171 WeakPolarHBondContact CA-O 3.26Å; G163-L178 PolarHBondContact N-O 2.93Å; G163-Y180 PolarHBondContact O-N 3.29Å
164	Y	95.7	Very high	92	Very high	19 Å²	19	46.5 Å²	46.5	8%	0.075	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.2	169.1	66.6	-93.6	0	0	0	113.2	M144 A147 L158 I166 E169 C171 Y180	M144-Y164 HydrophobicContact CE-CE2 4.24Å; M144-Y164 HydrophobicContact CG-CD2 3.89Å; M144-Y164 HydrophobicContact CG-CE1 4.39Å; M144-Y164 HydrophobicContact CG-CE2 3.72Å; M144-Y164 HydrophobicContact CG-CG 4.31Å; A147-Y164 HydrophobicContact CB-CD1 3.93Å; A147-Y164 HydrophobicContact CB-CG 4.36Å; L158-Y164 HydrophobicContact CD1-CD1 4.19Å; L158-Y164 HydrophobicContact CD1-CE1 4.5Å; L158-Y164 HydrophobicContact CD2-CD1 4.48Å; L158-Y164 HydrophobicContact CD2-CE1 4.01Å; L158-Y164 HydrophobicContact CG-CE1 4.41Å; Y164-I166 HydrophobicContact CD2-CG1 4.47Å; Y164-I166 HydrophobicContact CD2-CG2 4.21Å; Y164-I166 HydrophobicContact CE2-CD1 4.25Å; Y164-I166 HydrophobicContact CE2-CG1 4.43Å; Y164-E169 HydrophobicContact CE2-CG 4.08Å; Y164-E169 WeakPolarHBondContact CE2-OE1 3.42Å; Y164-E169 PolarHBondContact OH-OE1 2.86Å; Y164-C171 HydrophobicContact CD1-CB 3.89Å; Y164-C171 HydrophobicContact CD2-CB 4.18Å; Y164-C171 HydrophobicContact CE1-CB 3.5Å; Y164-C171 VanDerWaalsContact CE1-CB 3.5Å; Y164-C171 HydrophobicContact CE2-CB 3.82Å; Y164-C171 HydrophobicContact CG-CB 4.21Å; Y164-C171 VanDerWaalsContact CZ-CB 3.46Å; Y164-C171 PolarHBondContact N-O 2.84Å; Y164-C171 CarbonylContact O-C 3.5Å; Y164-C171 WeakPolarHBondContact O-CA 3.24Å; Y164-C171 PolarHBondContact O-N 2.88Å; Y164-Y180 CarbonylContact C-O 3.55Å; Y164-Y180 WeakPolarHBondContact CA-O 3.38Å; Y164-Y180 WeakPolarHBondContact CB-O 3.46Å
165	T	93.9	Very high	91.8	Very high	4 Å²	4	52.7 Å²	52.7	3%	0.025	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	117.5	175	-52.8	0	0	0	0	109.7	D170 K179 Y180 L181 T182 M185	T165-D170 HydrophobicContact CG2-CB 4.23Å; T165-D170 PolarHBondContact OG1-OD1 3.49Å; T165-K179 WeakPolarHBondContact OG1-CD 3.28Å; T165-Y180 PolarHBondContact N-O 3.35Å; T165-L181 WeakPolarHBondContact O-CA 3.25Å; T165-L181 VanDerWaalsContact O-CB 3.25Å; T165-L181 WeakPolarHBondContact O-CB 3.38Å; T165-T182 PolarHBondContact O-N 2.92Å; T165-M185 HydrophobicContact CG2-CB 4.47Å; T165-M185 HydrophobicContact CG2-CE 3.65Å; T165-M185 HydrophobicContact CG2-CG 4.42Å
166	I	90.2	Very high	91.7	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	166.9	177.3	65.7	-175.9	0	0	0	109.6	R140 A143 M144 Y164 F168 E169 T182	R140-I166 HydrophobicContact CB-CD1 4.4Å; R140-I166 HydrophobicContact CB-CG2 4.39Å; R140-I166 HydrophobicContact CG-CB 4.28Å; R140-I166 HydrophobicContact CG-CG2 4.42Å; A143-I166 HydrophobicContact CB-CG2 4.1Å; M144-I166 HydrophobicContact CG-CD1 3.91Å; M144-I166 HydrophobicContact SD-CD1 3.54Å; M144-I166 VanDerWaalsContact SD-CD1 3.54Å; Y164-I166 HydrophobicContact CD2-CG1 4.47Å; Y164-I166 HydrophobicContact CD2-CG2 4.21Å; Y164-I166 HydrophobicContact CE2-CD1 4.25Å; Y164-I166 HydrophobicContact CE2-CG1 4.43Å; I166-F168 PolarHBondContact O-N 3.16Å; I166-F168 VanDerWaalsContact O-N 3.08Å; I166-E169 HydrophobicContact CD1-CB 4.14Å; I166-E169 HydrophobicContact CG1-CB 3.71Å; I166-E169 HydrophobicContact CG1-CG 4.42Å; I166-E169 PolarHBondContact N-O 3.4Å; I166-E169 CarbonylContact O-C 3.59Å; I166-E169 PolarHBondContact O-N 3Å; I166-T182 HydrophobicContact CB-CG2 4.46Å; I166-T182 HydrophobicContact CG2-CG2 4.01Å
167	R	82.9	Confident	91.6	Very high	92 Å²	92	51.4 Å²	51.4	35%	0.347	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	122.9	178.2	-166.2	-179.9	179.2	177.8	-8.6	110.1	E169 M185 P512	R167-E169 VanDerWaalsContact C-N 3.32Å; R167-E169 PolarHBondContact O-N 3.4Å; R167-M185 HydrophobicContact CB-SD 4.25Å; R167-P512 PolarHBondContact NH2-O 3.48Å
168	F	78.4	Confident	91.7	Very high	40 Å²	40	41.3 Å²	41.3	18%	0.175	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	11	-178.7	-44.3	-59.3	0	0	0	117	I166 P512 V606 Q609	I166-F168 PolarHBondContact O-N 3.16Å; I166-F168 VanDerWaalsContact O-N 3.08Å; F168-P512 HydrophobicContact CE1-CB 4.49Å; F168-P512 HydrophobicContact CE1-CG 3.92Å; F168-V606 HydrophobicContact CD1-CG2 4.09Å; F168-V606 HydrophobicContact CD2-CG2 3.59Å; F168-V606 HydrophobicContact CE1-CG1 4.16Å; F168-V606 HydrophobicContact CE1-CG2 4.1Å; F168-V606 HydrophobicContact CE2-CG2 3.6Å; F168-V606 HydrophobicContact CG-CG2 3.84Å; F168-V606 HydrophobicContact CZ-CG1 4.03Å; F168-V606 HydrophobicContact CZ-CG2 3.86Å; F168-Q609 VanDerWaalsContact CA-OE1 3.3Å; F168-Q609 VanDerWaalsContact CD1-OE1 3.28Å; F168-Q609 PolarHBondContact O-NE2 3.38Å
169	E	82.4	Confident	91.9	Very high	73 Å²	73	39.7 Å²	39.7	34%	0.341	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	122.5	176.7	-178.8	-176.2	163	0	0	110.9	Y164 I166 R167	Y164-E169 HydrophobicContact CE2-CG 4.08Å; Y164-E169 WeakPolarHBondContact CE2-OE1 3.42Å; Y164-E169 PolarHBondContact OH-OE1 2.86Å; I166-E169 HydrophobicContact CD1-CB 4.14Å; I166-E169 HydrophobicContact CG1-CB 3.71Å; I166-E169 HydrophobicContact CG1-CG 4.42Å; I166-E169 PolarHBondContact N-O 3.4Å; I166-E169 CarbonylContact O-C 3.59Å; I166-E169 PolarHBondContact O-N 3Å; R167-E169 VanDerWaalsContact C-N 3.32Å; R167-E169 PolarHBondContact O-N 3.4Å
170	D	90.2	Very high	92.1	Very high	101 Å²	101	39 Å²	39	54%	0.54	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	111.5	178.6	-174	14.9	0	0	0	109.7	T165 S172	T165-D170 HydrophobicContact CG2-CB 4.23Å; T165-D170 PolarHBondContact OG1-OD1 3.49Å; D170-S172 WeakPolarHBondContact OD1-CB 3.49Å; D170-S172 PolarHBondContact OD1-N 2.9Å; D170-S172 PolarHBondContact OD1-OG 2.96Å; D170-S172 PolarHBondContact OD2-OG 3.27Å
171	C	92.6	Very high	92.2	Very high	35 Å²	35	38.7 Å²	38.7	24%	0.236	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	68.4	175.6	-169.8	0	0	0	0	108.3	G159 G163 Y164	G159-C171 WeakPolarHBondContact CA-O 3.45Å; G163-C171 CarbonylContact C-O 3.53Å; G163-C171 WeakPolarHBondContact CA-O 3.26Å; Y164-C171 HydrophobicContact CD1-CB 3.89Å; Y164-C171 HydrophobicContact CD2-CB 4.18Å; Y164-C171 HydrophobicContact CE1-CB 3.5Å; Y164-C171 VanDerWaalsContact CE1-CB 3.5Å; Y164-C171 HydrophobicContact CE2-CB 3.82Å; Y164-C171 HydrophobicContact CG-CB 4.21Å; Y164-C171 VanDerWaalsContact CZ-CB 3.46Å; Y164-C171 PolarHBondContact N-O 2.84Å; Y164-C171 CarbonylContact O-C 3.5Å; Y164-C171 WeakPolarHBondContact O-CA 3.24Å; Y164-C171 PolarHBondContact O-N 2.88Å
172	S	92.5	Very high	92.2	Very high	37 Å²	37	38.7 Å²	38.7	26%	0.259	20%	0.2	S	C	.	.			trans	-140.3	167.1	176.6	71.3	0	0	0	0	111	G159 D170	G159-S172 CarbonylContact O-C 3.54Å; D170-S172 WeakPolarHBondContact OD1-CB 3.49Å; D170-S172 PolarHBondContact OD1-N 2.9Å; D170-S172 PolarHBondContact OD1-OG 2.96Å; D170-S172 PolarHBondContact OD2-OG 3.27Å
173	S	92.8	Very high	92	Very high	39 Å²	39	38.8 Å²	38.8	27%	0.273	20%	0.2	S	C	.	.			trans	-144.6	171.2	178.3	68.6	0	0	0	0	110.1	G159 A160 R175 T176	G159-S173 VanDerWaalsContact O-CB 3.22Å; G159-S173 WeakPolarHBondContact O-CB 3.26Å; G159-S173 PolarHBondContact O-N 3.06Å; G159-S173 PolarHBondContact O-OG 2.88Å; A160-S173 PolarHBondContact O-OG 3.33Å; S173-R175 PolarHBondContact O-N 2.86Å; S173-R175 PolarHBondContact OG-N 3.39Å; S173-T176 PolarHBondContact N-OG1 3.24Å; S173-T176 WeakPolarHBondContact O-CB 3.5Å; S173-T176 PolarHBondContact O-N 3.3Å; S173-T176 PolarHBondContact O-OG1 2.84Å; S173-T176 VanDerWaalsContact O-OG1 3.05Å
174	P	89.5	Confident	91.7	Very high	147 Å²	147	40.3 Å²	40.3	96%	0.955	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-13.4	174.1	-26.5	36	0	0	0	114.6
175	R	90.3	Very high	91.5	Very high	147 Å²	147	40.7 Å²	40.7	56%	0.555	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-8.7	175.6	-66.6	-171	-68.7	167.5	-6.9	113.9	A160 E161 S173 L177	A160-R175 CarbonylContact O-C 3.56Å; E161-R175 IonicContact OE1-NH1 3.08Å; E161-R175 PolarHBondContact OE1-NH1 3.43Å; S173-R175 PolarHBondContact O-N 2.86Å; S173-R175 PolarHBondContact OG-N 3.39Å; R175-L177 WeakPolarHBondContact O-CG 3.46Å; R175-L177 PolarHBondContact O-N 2.86Å
176	T	93.7	Very high	91.5	Very high	18 Å²	18	40.5 Å²	40.5	11%	0.11	22%	0.218	C	C	.	.			trans	-66.4	120.4	-174.1	-57.1	0	0	0	0	111.4	A160 S173 L178 K179	A160-T176 WeakPolarHBondContact O-CA 3.35Å; A160-T176 WeakPolarHBondContact O-CB 3.25Å; A160-T176 PolarHBondContact O-N 3.27Å; A160-T176 VanDerWaalsContact O-N 3.14Å; A160-T176 PolarHBondContact O-OG1 3.48Å; S173-T176 PolarHBondContact N-OG1 3.24Å; S173-T176 WeakPolarHBondContact O-CB 3.5Å; S173-T176 PolarHBondContact O-N 3.3Å; S173-T176 PolarHBondContact O-OG1 2.84Å; S173-T176 VanDerWaalsContact O-OG1 3.05Å; T176-L178 WeakPolarHBondContact CG2-O 3.27Å; T176-K179 HydrophobicContact CG2-CB 4.15Å
177	L	93.8	Very high	91.5	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.073	22%	0.218	C	C	.	.	S	Bend	trans	-105.6	-27.4	178.4	-53.4	179.7	0	0	0	111.9	L58 V115 R130 A132 V133 E161 R175	L58-L177 HydrophobicContact CD2-CD1 3.67Å; V115-L177 HydrophobicContact CG1-CB 4.49Å; R130-L177 HydrophobicContact CG-CD2 4.07Å; R130-L177 VanDerWaalsContact CZ-CD2 3.43Å; R130-L177 VanDerWaalsContact NH2-CD1 3.27Å; A132-L177 CarbonylContact C-O 3.55Å; A132-L177 WeakPolarHBondContact CA-O 3.28Å; A132-L177 WeakPolarHBondContact CB-O 3.41Å; V133-L177 PolarHBondContact N-O 2.65Å; E161-L177 PolarHBondContact O-N 2.85Å; R175-L177 WeakPolarHBondContact O-CG 3.46Å; R175-L177 PolarHBondContact O-N 2.86Å
178	L	97	Very high	91.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115.2	175.7	173.6	56	0	0	0	108.8	P111 V115 V133 V150 M154 E161 V162 G163 T176 Y180	P111-L178 HydrophobicContact CB-CD1 3.52Å; P111-L178 HydrophobicContact CB-CD2 3.95Å; P111-L178 HydrophobicContact CB-CG 4.41Å; V115-L178 HydrophobicContact CG2-CB 3.78Å; V115-L178 HydrophobicContact CG2-CD2 4.34Å; V115-L178 HydrophobicContact CG2-CG 4.48Å; V133-L178 HydrophobicContact CB-CD1 3.92Å; V133-L178 HydrophobicContact CG1-CD1 3.79Å; V150-L178 HydrophobicContact CG1-CD2 3.68Å; M154-L178 HydrophobicContact SD-CD2 4.11Å; E161-L178 PolarHBondContact O-N 2.8Å; V162-L178 WeakPolarHBondContact CA-O 3.38Å; V162-L178 HydrophobicContact CG2-CB 4.32Å; V162-L178 HydrophobicContact CG2-CD2 4.37Å; G163-L178 PolarHBondContact N-O 2.93Å; T176-L178 WeakPolarHBondContact CG2-O 3.27Å; L178-Y180 HydrophobicContact CD1-CE2 4.15Å; L178-Y180 HydrophobicContact CD2-CE2 3.7Å; L178-Y180 HydrophobicContact CG-CD2 4.3Å; L178-Y180 HydrophobicContact CG-CE2 3.75Å
179	K	97.4	Very high	92.3	Very high	29 Å²	29	39.2 Å²	39.2	13%	0.126	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119	178.5	-170.6	-169.1	-78.5	174.8	0	109.2	V133 C135 T165 T176 L181 E189 Y199	V133-K179 PolarHBondContact O-N 3.27Å; C135-K179 PolarHBondContact N-O 3.41Å; T165-K179 WeakPolarHBondContact OG1-CD 3.28Å; T176-K179 HydrophobicContact CG2-CB 4.15Å; K179-L181 HydrophobicContact CD-CD1 4.37Å; K179-L181 HydrophobicContact CD-CD2 4.41Å; K179-L181 HydrophobicContact CG-CD2 4.37Å; K179-L181 WeakPolarHBondContact O-CD2 3.44Å; K179-E189 IonicContact NZ-OE1 3.46Å; K179-E189 PolarHBondContact NZ-OE1 3.23Å; K179-E189 IonicContact NZ-OE2 2.67Å; K179-Y199 WeakPolarHBondContact CD-OH 3.02Å; K179-Y199 PolarHBondContact NZ-OH 3.28Å
180	Y	97.9	Very high	92.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.6	166.1	-70.2	-87.3	0	0	0	109.2	T107 P111 C135 V146 A147 V150 V162 G163 Y164 T165 L178	T107-Y180 PolarHBondContact O-OH 2.63Å; T107-Y180 VanDerWaalsContact O-OH 3.1Å; P111-Y180 HydrophobicContact CG-CE1 4.17Å; P111-Y180 WeakPolarHBondContact CG-OH 3.39Å; C135-Y180 HydrophobicContact CB-CD1 3.7Å; C135-Y180 HydrophobicContact CB-CE1 3.68Å; C135-Y180 WeakPolarHBondContact O-CA 3.44Å; V146-Y180 HydrophobicContact CB-CD1 4.42Å; V146-Y180 HydrophobicContact CB-CE1 4.41Å; V146-Y180 HydrophobicContact CG1-CD1 3.81Å; V146-Y180 HydrophobicContact CG1-CE1 3.35Å; V146-Y180 HydrophobicContact CG1-CE2 4.18Å; V146-Y180 HydrophobicContact CG1-CG 4.4Å; A147-Y180 HydrophobicContact CB-CD2 3.74Å; A147-Y180 HydrophobicContact CB-CG 4.2Å; V150-Y180 HydrophobicContact CB-CE2 3.95Å; V150-Y180 HydrophobicContact CG1-CE2 4.05Å; V150-Y180 HydrophobicContact CG2-CE2 4.16Å; V150-Y180 WeakPolarHBondContact CG2-OH 3.39Å; V162-Y180 HydrophobicContact CG1-CD2 4.39Å; V162-Y180 HydrophobicContact CG1-CE2 4.29Å; G163-Y180 PolarHBondContact O-N 3.29Å; Y164-Y180 CarbonylContact C-O 3.55Å; Y164-Y180 WeakPolarHBondContact CA-O 3.38Å; Y164-Y180 WeakPolarHBondContact CB-O 3.46Å; T165-Y180 PolarHBondContact N-O 3.35Å; L178-Y180 HydrophobicContact CD1-CE2 4.15Å; L178-Y180 HydrophobicContact CD2-CE2 3.7Å; L178-Y180 HydrophobicContact CG-CD2 4.3Å; L178-Y180 HydrophobicContact CG-CE2 3.75Å
181	L	96.5	Very high	92.2	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156.7	-177.4	62.5	170	0	0	0	111.3	A134 C135 T136 Q137 T165 K179 M185 L186	A134-L181 HydrophobicContact CB-CD2 3.84Å; C135-L181 PolarHBondContact O-N 2.96Å; T136-L181 CarbonylContact C-O 3.59Å; T136-L181 WeakPolarHBondContact CA-O 3.32Å; Q137-L181 PolarHBondContact N-O 3.49Å; T165-L181 WeakPolarHBondContact O-CA 3.25Å; T165-L181 VanDerWaalsContact O-CB 3.25Å; T165-L181 WeakPolarHBondContact O-CB 3.38Å; K179-L181 HydrophobicContact CD-CD1 4.37Å; K179-L181 HydrophobicContact CD-CD2 4.41Å; K179-L181 HydrophobicContact CG-CD2 4.37Å; K179-L181 WeakPolarHBondContact O-CD2 3.44Å; L181-M185 HydrophobicContact CB-CB 4.36Å; L181-M185 HydrophobicContact CD1-CB 4.38Å; L181-L186 HydrophobicContact CD1-CB 3.6Å; L181-L186 HydrophobicContact CD1-CD1 4.01Å; L181-L186 HydrophobicContact CD1-CG 4.38Å; L181-L186 HydrophobicContact CG-CB 4.16Å
182	T	94.5	Very high	91.8	Very high	16 Å²	16	35 Å²	35	10%	0.098	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	147.8	170	50.7	0	0	0	0	110.3	Q137 R140 T165 I166 G184 M185 L186	Q137-T182 VanDerWaalsContact O-CA 3.24Å; Q137-T182 WeakPolarHBondContact O-CA 3.42Å; R140-T182 HydrophobicContact CB-CG2 4.47Å; R140-T182 HydrophobicContact CG-CG2 3.87Å; T165-T182 PolarHBondContact O-N 2.92Å; I166-T182 HydrophobicContact CB-CG2 4.46Å; I166-T182 HydrophobicContact CG2-CG2 4.01Å; T182-G184 PolarHBondContact O-N 3.41Å; T182-G184 VanDerWaalsContact O-N 3.16Å; T182-M185 WeakPolarHBondContact O-CA 3.36Å; T182-M185 WeakPolarHBondContact O-CB 3.34Å; T182-M185 PolarHBondContact O-N 3.31Å; T182-M185 VanDerWaalsContact OG1-CG 3.28Å; T182-M185 WeakPolarHBondContact OG1-CG 3.3Å; T182-L186 PolarHBondContact O-N 3.27Å
183	D	92.8	Very high	91.6	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-46.9	-47.6	176.5	-58.3	-4.2	0	0	0	111.8	T136 Q137 M185 L186 L187 T211 A213 T214 L217	T136-D183 WeakPolarHBondContact CB-OD1 3.38Å; T136-D183 PolarHBondContact OG1-OD1 3.23Å; Q137-D183 PolarHBondContact N-OD1 2.93Å; Q137-D183 PolarHBondContact O-N 3.48Å; D183-M185 PolarHBondContact O-N 3.21Å; D183-L186 PolarHBondContact O-N 3.45Å; D183-L186 VanDerWaalsContact O-N 3.14Å; D183-L187 PolarHBondContact O-N 2.82Å; D183-T211 PolarHBondContact OD2-OG1 2.93Å; D183-A213 HydrophobicContact CB-CB 3.63Å; D183-T214 PolarHBondContact OD2-OG1 2.75Å; D183-L217 HydrophobicContact CB-CD1 3.9Å; D183-L217 WeakPolarHBondContact O-CD1 3.42Å
184	G	90.4	Very high	91.3	Very high	32 Å²	32	36.6 Å²	36.6	33%	0.33	20%	0.204	S	C	.	.	H	α-helix	trans	-65	-20.6	178.1	0	0	0	0	0	115.4	T182 R188	T182-G184 PolarHBondContact O-N 3.41Å; T182-G184 VanDerWaalsContact O-N 3.16Å; G184-R188 PolarHBondContact O-N 3.44Å
185	M	92.1	Very high	91.3	Very high	26 Å²	26	32.2 Å²	32.2	13%	0.128	17%	0.172	C	C	.	.	H	α-helix	trans	-80.5	-36.8	172.9	-73.7	-54.7	-65.1	0	0	111.6	T165 R167 L181 T182 D183 L187 R188 E189	T165-M185 HydrophobicContact CG2-CB 4.47Å; T165-M185 HydrophobicContact CG2-CE 3.65Å; T165-M185 HydrophobicContact CG2-CG 4.42Å; R167-M185 HydrophobicContact CB-SD 4.25Å; L181-M185 HydrophobicContact CB-CB 4.36Å; L181-M185 HydrophobicContact CD1-CB 4.38Å; T182-M185 WeakPolarHBondContact O-CA 3.36Å; T182-M185 WeakPolarHBondContact O-CB 3.34Å; T182-M185 PolarHBondContact O-N 3.31Å; T182-M185 VanDerWaalsContact OG1-CG 3.28Å; T182-M185 WeakPolarHBondContact OG1-CG 3.3Å; D183-M185 PolarHBondContact O-N 3.21Å; M185-L187 VanDerWaalsContact C-N 3.32Å; M185-R188 PolarHBondContact O-N 2.91Å; M185-R188 PolarHBondContact SD-NH1 3.16Å; M185-E189 PolarHBondContact O-N 2.85Å
186	L	93.9	Very high	91.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-40.7	173.7	-175.6	62.3	0	0	0	110.5	A134 T136 L181 T182 D183 R188 E189 A190 L196 Y199 I202 L217 I221	A134-L186 HydrophobicContact CB-CD1 4.46Å; T136-L186 HydrophobicContact CG2-CB 4.16Å; T136-L186 HydrophobicContact CG2-CD2 3.47Å; T136-L186 VanDerWaalsContact CG2-CD2 3.47Å; T136-L186 HydrophobicContact CG2-CG 4.44Å; L181-L186 HydrophobicContact CD1-CB 3.6Å; L181-L186 HydrophobicContact CD1-CD1 4.01Å; L181-L186 HydrophobicContact CD1-CG 4.38Å; L181-L186 HydrophobicContact CG-CB 4.16Å; T182-L186 PolarHBondContact O-N 3.27Å; D183-L186 PolarHBondContact O-N 3.45Å; D183-L186 VanDerWaalsContact O-N 3.14Å; L186-R188 VanDerWaalsContact C-N 3.27Å; L186-R188 PolarHBondContact O-N 2.82Å; L186-E189 PolarHBondContact O-N 2.88Å; L186-A190 PolarHBondContact O-N 3.22Å; L186-L196 HydrophobicContact CD1-CD1 4.16Å; L186-L196 HydrophobicContact CD1-CD2 3.93Å; L186-L196 HydrophobicContact CG-CD1 4.4Å; L186-Y199 HydrophobicContact CD1-CD2 4.12Å; L186-Y199 HydrophobicContact CD1-CE2 3.72Å; L186-I202 HydrophobicContact CD2-CG2 3.76Å; L186-L217 HydrophobicContact CB-CD1 4.13Å; L186-L217 HydrophobicContact CB-CD2 4.22Å; L186-L217 HydrophobicContact CD2-CD1 4.15Å; L186-L217 HydrophobicContact CD2-CD2 4.07Å; L186-L217 HydrophobicContact CG-CD1 4.48Å; L186-L217 HydrophobicContact CG-CD2 3.98Å; L186-I221 HydrophobicContact CD2-CD1 4.46Å
187	L	90.2	Very high	91.2	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-39.3	175.2	-176.1	58.3	0	0	0	111.5	D183 M185 A190 M191 I216 L217 L220 E458 L462	D183-L187 PolarHBondContact O-N 2.82Å; M185-L187 VanDerWaalsContact C-N 3.32Å; L187-A190 WeakPolarHBondContact O-CB 3.43Å; L187-A190 PolarHBondContact O-N 2.91Å; L187-M191 HydrophobicContact CG-CE 4.36Å; L187-M191 PolarHBondContact O-N 3.22Å; L187-I216 HydrophobicContact CD1-CG2 3.61Å; L187-I216 HydrophobicContact CD2-CB 4.16Å; L187-I216 HydrophobicContact CD2-CD1 4.09Å; L187-I216 HydrophobicContact CD2-CG2 3.77Å; L187-I216 HydrophobicContact CG-CG2 4.36Å; L187-L217 HydrophobicContact CB-CD2 4.04Å; L187-L217 HydrophobicContact CB-CG 4.24Å; L187-L217 HydrophobicContact CD1-CD2 4.29Å; L187-L220 HydrophobicContact CD1-CD2 4.15Å; L187-E458 VanDerWaalsContact CD2-OE2 3.25Å; L187-E458 WeakPolarHBondContact CD2-OE2 3.47Å; L187-L462 HydrophobicContact CD1-CD1 4.04Å
188	R	86.7	Confident	91	Very high	61 Å²	61	28.3 Å²	28.3	23%	0.23	17%	0.17	C	C	.	.	H	α-helix	trans	-67.6	-41.4	174.5	-174.8	170.1	-66	130.6	10.8	113.3	G184 M185 L186 A190 M191	G184-R188 PolarHBondContact O-N 3.44Å; M185-R188 PolarHBondContact O-N 2.91Å; M185-R188 PolarHBondContact SD-NH1 3.16Å; L186-R188 VanDerWaalsContact C-N 3.27Å; L186-R188 PolarHBondContact O-N 2.82Å; R188-A190 PolarHBondContact O-N 2.83Å; R188-M191 HydrophobicContact CB-CE 4.39Å; R188-M191 WeakPolarHBondContact O-CB 3.4Å; R188-M191 PolarHBondContact O-N 3.38Å; R188-M191 VanDerWaalsContact O-N 3.12Å
189	E	90.4	Very high	90.8	Very high	42 Å²	42	28.7 Å²	28.7	20%	0.196	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-37.6	173.5	-73.5	-174	-178.2	0	0	110.7	K179 M185 L186 M191 S192 D193 L196 Y199	K179-E189 IonicContact NZ-OE1 3.46Å; K179-E189 PolarHBondContact NZ-OE1 3.23Å; K179-E189 IonicContact NZ-OE2 2.67Å; M185-E189 PolarHBondContact O-N 2.85Å; L186-E189 PolarHBondContact O-N 2.88Å; E189-M191 VanDerWaalsContact C-N 3.25Å; E189-M191 PolarHBondContact O-N 3.24Å; E189-S192 PolarHBondContact O-N 3.4Å; E189-S192 VanDerWaalsContact O-N 3.1Å; E189-S192 PolarHBondContact O-OG 3.18Å; E189-D193 PolarHBondContact O-N 2.92Å; E189-L196 HydrophobicContact CB-CD2 4.38Å; E189-Y199 PolarHBondContact OE1-OH 2.93Å; E189-Y199 WeakPolarHBondContact OE2-CE2 3.33Å; E189-Y199 VanDerWaalsContact OE2-CZ 3.24Å; E189-Y199 PolarHBondContact OE2-OH 2.9Å
190	A	89	Confident	90.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.7	-25.7	176.4	0	0	0	0	0	114	L186 L187 R188 S192 D193 P194 L196 L220 L462	L186-A190 PolarHBondContact O-N 3.22Å; L187-A190 WeakPolarHBondContact O-CB 3.43Å; L187-A190 PolarHBondContact O-N 2.91Å; R188-A190 PolarHBondContact O-N 2.83Å; A190-S192 VanDerWaalsContact C-N 3.28Å; A190-S192 PolarHBondContact O-N 2.77Å; A190-D193 WeakPolarHBondContact CA-O 3.32Å; A190-D193 CarbonylContact O-C 3.58Å; A190-D193 VanDerWaalsContact O-C 3.28Å; A190-P194 WeakPolarHBondContact O-CA 3.48Å; A190-P194 VanDerWaalsContact O-N 3.14Å; A190-L196 HydrophobicContact CB-CD1 4.39Å; A190-L196 HydrophobicContact CB-CD2 3.82Å; A190-L196 HydrophobicContact CB-CG 4.14Å; A190-L220 HydrophobicContact CB-CD2 3.51Å; A190-L462 HydrophobicContact CB-CD2 4.26Å; A190-L462 VanDerWaalsContact O-CD2 3.28Å; A190-L462 WeakPolarHBondContact O-CD2 3.26Å
191	M	83.3	Confident	90.5	Very high	22 Å²	22	28.5 Å²	28.5	11%	0.108	17%	0.171	C	C	.	.	H	α-helix	trans	-66.9	-31.9	174.7	-60.3	172.7	-155.1	0	0	112.2	L187 R188 E189 E458 L462	L187-M191 HydrophobicContact CG-CE 4.36Å; L187-M191 PolarHBondContact O-N 3.22Å; R188-M191 HydrophobicContact CB-CE 4.39Å; R188-M191 WeakPolarHBondContact O-CB 3.4Å; R188-M191 PolarHBondContact O-N 3.38Å; R188-M191 VanDerWaalsContact O-N 3.12Å; E189-M191 VanDerWaalsContact C-N 3.25Å; E189-M191 PolarHBondContact O-N 3.24Å; M191-E458 HydrophobicContact CE-CB 3.8Å; M191-E458 HydrophobicContact CE-CG 3.3Å; M191-E458 HydrophobicContact SD-CG 4.26Å; M191-L462 HydrophobicContact CG-CD2 4.42Å
192	S	84.1	Confident	90.5	Very high	98 Å²	98	28.5 Å²	28.5	69%	0.685	17%	0.171	S	C	*	.	H	α-helix	trans	-92.5	-29.2	176.8	54.4	0	0	0	0	113.7	E189 A190	E189-S192 PolarHBondContact O-N 3.4Å; E189-S192 VanDerWaalsContact O-N 3.1Å; E189-S192 PolarHBondContact O-OG 3.18Å; A190-S192 VanDerWaalsContact C-N 3.28Å; A190-S192 PolarHBondContact O-N 2.77Å
193	D	87.3	Confident	90.7	Very high	47 Å²	47	27.7 Å²	27.7	25%	0.251	17%	0.166	S	C	.	.			trans	-130.3	81.1	178.9	178.9	6.1	0	0	0	108.5	E189 A190 M195 L196 D197 G198	E189-D193 PolarHBondContact O-N 2.92Å; A190-D193 WeakPolarHBondContact CA-O 3.32Å; A190-D193 CarbonylContact O-C 3.58Å; A190-D193 VanDerWaalsContact O-C 3.28Å; D193-M195 PolarHBondContact O-N 3.28Å; D193-M195 VanDerWaalsContact O-N 3.08Å; D193-L196 PolarHBondContact O-N 2.8Å; D193-L196 PolarHBondContact OD1-N 3.35Å; D193-L196 VanDerWaalsContact OD1-N 3.1Å; D193-L196 WeakPolarHBondContact OD2-CA 3.19Å; D193-D197 VanDerWaalsContact CG-N 3.3Å; D193-D197 PolarHBondContact OD1-N 3.13Å; D193-D197 VanDerWaalsContact OD1-N 3.13Å; D193-D197 PolarHBondContact OD2-N 3.14Å; D193-G198 PolarHBondContact OD2-N 3.3Å
194	P	86.9	Confident	90.8	Very high	64 Å²	64	27.6 Å²	27.6	42%	0.416	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.5	-174	-26.9	35.9	0	0	0	114.4	A190 I224	A190-P194 WeakPolarHBondContact O-CA 3.48Å; A190-P194 VanDerWaalsContact O-N 3.14Å; P194-I224 WeakPolarHBondContact O-CD1 3.45Å; P194-I224 WeakPolarHBondContact O-CG1 3.33Å
195	M	89	Confident	91	Very high	54 Å²	54	26 Å²	26	27%	0.266	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-10.2	176.5	-73.7	-60.1	129.6	0	0	112.7	D193 D197 I224 Q227 R228	D193-M195 PolarHBondContact O-N 3.28Å; D193-M195 VanDerWaalsContact O-N 3.08Å; M195-D197 VanDerWaalsContact C-N 3.27Å; M195-D197 PolarHBondContact O-N 3.24Å; M195-I224 HydrophobicContact SD-CG2 4.41Å; M195-Q227 HydrophobicContact SD-CB 4.32Å; M195-R228 VanDerWaalsContact O-CD 3.31Å; M195-R228 WeakPolarHBondContact O-CD 3.17Å; M195-R228 PolarHBondContact O-NH1 3.2Å; M195-R228 HydrophobicContact SD-CG 4.25Å
196	L	91.9	Very high	91	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.			trans	54.5	42.9	-174.2	-65.8	173.4	0	0	0	111.9	L186 E189 A190 D193 G198 Y199 I202 I224 R228	L186-L196 HydrophobicContact CD1-CD1 4.16Å; L186-L196 HydrophobicContact CD1-CD2 3.93Å; L186-L196 HydrophobicContact CG-CD1 4.4Å; E189-L196 HydrophobicContact CB-CD2 4.38Å; A190-L196 HydrophobicContact CB-CD1 4.39Å; A190-L196 HydrophobicContact CB-CD2 3.82Å; A190-L196 HydrophobicContact CB-CG 4.14Å; D193-L196 PolarHBondContact O-N 2.8Å; D193-L196 PolarHBondContact OD1-N 3.35Å; D193-L196 VanDerWaalsContact OD1-N 3.1Å; D193-L196 WeakPolarHBondContact OD2-CA 3.19Å; L196-G198 PolarHBondContact O-N 3.04Å; L196-G198 VanDerWaalsContact O-N 3.07Å; L196-Y199 HydrophobicContact CB-CD2 4.29Å; L196-Y199 HydrophobicContact CD2-CD2 4.47Å; L196-Y199 PolarHBondContact O-N 3.39Å; L196-I202 HydrophobicContact CB-CD1 4.38Å; L196-I202 HydrophobicContact CD1-CD1 3.69Å; L196-I224 HydrophobicContact CD1-CD1 4.02Å; L196-I224 HydrophobicContact CG-CD1 4.29Å; L196-R228 PolarHBondContact O-NH1 3.48Å
197	D	89.6	Confident	90.8	Very high	60 Å²	60	25 Å²	25	32%	0.321	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-27.4	-176.7	-92.6	-8.5	0	0	0	113.2	K127 D193 M195 Y199 R228	K127-D197 IonicContact NZ-OD2 3.49Å; D193-D197 VanDerWaalsContact CG-N 3.3Å; D193-D197 PolarHBondContact OD1-N 3.13Å; D193-D197 VanDerWaalsContact OD1-N 3.13Å; D193-D197 PolarHBondContact OD2-N 3.14Å; M195-D197 VanDerWaalsContact C-N 3.27Å; M195-D197 PolarHBondContact O-N 3.24Å; D197-Y199 PolarHBondContact O-N 3.12Å; D197-R228 IonicContact OD1-CZ 3.53Å; D197-R228 IonicContact OD1-NH1 3.79Å
198	G	89.6	Confident	90.6	Very high	37 Å²	37	25.9 Å²	25.9	38%	0.381	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.6	174.5	0	0	0	0	0	115.1	A132 D193 L196	A132-G198 PolarHBondContact N-O 3.47Å; D193-G198 PolarHBondContact OD2-N 3.3Å; L196-G198 PolarHBondContact O-N 3.04Å; L196-G198 VanDerWaalsContact O-N 3.07Å
199	Y	93.9	Very high	90.5	Very high	9 Å²	9	25.4 Å²	25.4	4%	0.035	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.4	-176.2	-54.3	-69.9	0	0	0	112.9	A132 A134 K179 L186 E189 L196 D197 R228	A132-Y199 HydrophobicContact CB-CD1 3.99Å; A132-Y199 HydrophobicContact CB-CE1 4.16Å; A132-Y199 WeakPolarHBondContact O-CA 3.35Å; A134-Y199 HydrophobicContact CB-CD1 3.52Å; A134-Y199 HydrophobicContact CB-CD2 4.25Å; A134-Y199 HydrophobicContact CB-CE1 3.64Å; A134-Y199 HydrophobicContact CB-CE2 4.34Å; A134-Y199 HydrophobicContact CB-CG 3.85Å; K179-Y199 WeakPolarHBondContact CD-OH 3.02Å; K179-Y199 PolarHBondContact NZ-OH 3.28Å; L186-Y199 HydrophobicContact CD1-CD2 4.12Å; L186-Y199 HydrophobicContact CD1-CE2 3.72Å; E189-Y199 PolarHBondContact OE1-OH 2.93Å; E189-Y199 WeakPolarHBondContact OE2-CE2 3.33Å; E189-Y199 VanDerWaalsContact OE2-CZ 3.24Å; E189-Y199 PolarHBondContact OE2-OH 2.9Å; L196-Y199 HydrophobicContact CB-CD2 4.29Å; L196-Y199 HydrophobicContact CD2-CD2 4.47Å; L196-Y199 PolarHBondContact O-N 3.39Å; D197-Y199 PolarHBondContact O-N 3.12Å; Y199-R228 PolarHBondContact O-NH2 3.42Å
200	Q	92.9	Very high	90.4	Very high	24 Å²	24	26.3 Å²	26.3	11%	0.112	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-21.7	170.3	-171.7	167.5	3.8	0	0	112.3	L118 R131 A132 K232	L118-Q200 HydrophobicContact CD1-CB 4.24Å; L118-Q200 HydrophobicContact CD2-CB 3.72Å; L118-Q200 VanDerWaalsContact CD2-CD 3.43Å; L118-Q200 HydrophobicContact CD2-CG 3.62Å; L118-Q200 VanDerWaalsContact CD2-OE1 3.32Å; R131-Q200 HydrophobicContact CB-CB 3.64Å; R131-Q200 HydrophobicContact CG-CB 4.37Å; A132-Q200 PolarHBondContact O-N 2.51Å; Q200-K232 PolarHBondContact O-N 2.92Å
201	V	95.6	Very high	90.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.8	170.1	-169.7	0	0	0	0	108.9	C114 L118 V133 A134 L203 K232	C114-V201 HydrophobicContact CB-CB 4.28Å; C114-V201 HydrophobicContact CB-CG1 4.03Å; C114-V201 HydrophobicContact CB-CG2 4.26Å; L118-V201 HydrophobicContact CD1-CG2 4.37Å; L118-V201 HydrophobicContact CD2-CG2 3.97Å; L118-V201 HydrophobicContact CG-CG2 4.17Å; V133-V201 WeakPolarHBondContact CA-O 3.22Å; V133-V201 HydrophobicContact CG1-CB 4.31Å; V133-V201 HydrophobicContact CG2-CB 4.28Å; A134-V201 PolarHBondContact N-O 3.39Å; V201-L203 HydrophobicContact CG1-CD1 4.1Å; V201-L203 HydrophobicContact CG1-CG 4.42Å; V201-K232 CarbonylContact C-O 3.52Å; V201-K232 VanDerWaalsContact CA-O 3.32Å; V201-K232 WeakPolarHBondContact CA-O 3.5Å; V201-K232 HydrophobicContact CG1-CB 4.23Å; V201-K232 HydrophobicContact CG2-CB 4.17Å
202	I	97.1	Very high	90.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.5	172.4	-61.7	171.8	0	0	0	108.2	A134 L186 L196 L204 I221 L231 K232 I233 V234	A134-I202 HydrophobicContact CB-CG1 4.25Å; A134-I202 CarbonylContact O-C 3.56Å; A134-I202 WeakPolarHBondContact O-CA 3.34Å; L186-I202 HydrophobicContact CD2-CG2 3.76Å; L196-I202 HydrophobicContact CB-CD1 4.38Å; L196-I202 HydrophobicContact CD1-CD1 3.69Å; I202-L204 HydrophobicContact CG2-CD2 4.12Å; I202-I221 HydrophobicContact CD1-CD1 4.38Å; I202-I221 HydrophobicContact CD1-CG1 4.49Å; I202-I221 HydrophobicContact CG2-CD1 3.83Å; I202-L231 HydrophobicContact CD1-CD1 3.95Å; I202-L231 HydrophobicContact CD1-CD2 4.24Å; I202-L231 HydrophobicContact CG1-CD1 4.06Å; I202-K232 PolarHBondContact N-O 3.13Å; I202-I233 WeakPolarHBondContact O-CA 3.35Å; I202-V234 PolarHBondContact O-N 2.82Å
203	L	97.7	Very high	90.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.1	173	-56.3	100.5	0	0	0	109.4	I110 P111 V133 A134 C135 T136 V201 V234 M236	I110-L203 HydrophobicContact CB-CD2 4.2Å; I110-L203 HydrophobicContact CG2-CD2 3.46Å; I110-L203 VanDerWaalsContact CG2-CD2 3.46Å; P111-L203 HydrophobicContact CB-CD1 4.28Å; P111-L203 HydrophobicContact CG-CD1 4.4Å; P111-L203 HydrophobicContact CG-CD2 4.19Å; V133-L203 HydrophobicContact CG1-CD1 3.22Å; A134-L203 WeakPolarHBondContact O-CD1 3.48Å; A134-L203 PolarHBondContact O-N 2.93Å; C135-L203 HydrophobicContact CB-CB 4.3Å; C135-L203 HydrophobicContact CB-CD1 4.31Å; T136-L203 PolarHBondContact N-O 2.84Å; V201-L203 HydrophobicContact CG1-CD1 4.1Å; V201-L203 HydrophobicContact CG1-CG 4.42Å; L203-V234 CarbonylContact C-O 3.56Å; L203-V234 VanDerWaalsContact CA-O 3.26Å; L203-V234 WeakPolarHBondContact CA-O 3.39Å; L203-V234 HydrophobicContact CD2-CB 4.05Å; L203-V234 HydrophobicContact CD2-CG1 4.26Å; L203-V234 HydrophobicContact CD2-CG2 4.47Å; L203-V234 HydrophobicContact CG-CB 4.09Å; L203-M236 HydrophobicContact CB-CE 3.96Å; L203-M236 HydrophobicContact CD2-CE 3.84Å; L203-M236 HydrophobicContact CD2-SD 3.91Å
204	L	95.9	Very high	90.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	94	171.3	-59.8	-177.8	0	0	0	107.9	T136 I202 L217 M218 I221 V234 V235 M236	T136-L204 HydrophobicContact CG2-CD2 3.89Å; I202-L204 HydrophobicContact CG2-CD2 4.12Å; L204-L217 HydrophobicContact CD2-CB 4.46Å; L204-L217 HydrophobicContact CD2-CD1 4.29Å; L204-M218 HydrophobicContact CD1-CG 3.54Å; L204-I221 HydrophobicContact CD1-CD1 4.13Å; L204-I221 HydrophobicContact CD2-CD1 3.87Å; L204-I221 HydrophobicContact CG-CD1 4.31Å; L204-V234 PolarHBondContact N-O 3.42Å; L204-V235 HydrophobicContact CD1-CG2 4.5Å; L204-M236 PolarHBondContact O-N 3.42Å
205	D	94.4	Very high	90.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	156.7	-178.9	-157.4	8.3	0	0	0	112.4	T107 T136 Q137 A207 M236	T107-D205 WeakPolarHBondContact CB-OD2 3.39Å; T107-D205 WeakPolarHBondContact CG2-OD2 3.21Å; T107-D205 PolarHBondContact OG1-OD2 2.97Å; T136-D205 WeakPolarHBondContact O-CB 3.47Å; T136-D205 PolarHBondContact O-N 3.24Å; Q137-D205 PolarHBondContact NE2-OD2 3.43Å; D205-A207 PolarHBondContact O-N 3.48Å; D205-A207 VanDerWaalsContact O-N 3.11Å; D205-M236 HydrophobicContact CB-CE 3.61Å; D205-M236 VanDerWaalsContact CG-CE 3.44Å; D205-M236 WeakPolarHBondContact OD1-CB 3.42Å
206	E	90.8	Very high	90.5	Very high	3 Å²	3	16 Å²	16	1%	0.014	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	35.9	178.6	-54	-74.2	152.7	0	0	112.4	P138 H208 E209 M236	P138-E206 HydrophobicContact CG-CB 3.95Å; E206-H208 PolarHBondContact O-N 3.3Å; E206-H208 IonicContact OE2-CE1 2.73Å; E206-H208 PolarHBondContact OE2-CE1 3.07Å; E206-H208 IonicContact OE2-NE2 3.42Å; E206-H208 PolarHBondContact OE2-NE2 3.28Å; E206-E209 PolarHBondContact O-N 2.98Å; E206-M236 PolarHBondContact N-O 2.98Å
207	A	90.4	Very high	90.4	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-59.7	-18.2	-173.4	0	0	0	0	0	114	D205 E209 R210 T214 V235 M236 F245	D205-A207 PolarHBondContact O-N 3.48Å; D205-A207 VanDerWaalsContact O-N 3.11Å; A207-E209 VanDerWaalsContact C-N 3.27Å; A207-E209 PolarHBondContact O-N 3.08Å; A207-R210 VanDerWaalsContact O-CD 3.23Å; A207-R210 WeakPolarHBondContact O-CD 3.33Å; A207-R210 PolarHBondContact O-N 3.47Å; A207-T214 HydrophobicContact CB-CG2 4.41Å; A207-V235 HydrophobicContact CB-CG1 3.7Å; A207-M236 PolarHBondContact N-O 2.88Å; A207-F245 HydrophobicContact CB-CE1 4.04Å; A207-F245 HydrophobicContact CB-CZ 3.92Å; A207-F245 WeakPolarHBondContact O-CZ 3.24Å
208	H	86.7	Confident	90.4	Very high	23 Å²	23	13.6 Å²	13.6	11%	0.106	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-71.4	-14.6	174	60	-86.5	0	0	0	114.2	E206 R210 S237 A238 T239 Q413	E206-H208 PolarHBondContact O-N 3.3Å; E206-H208 IonicContact OE2-CE1 2.73Å; E206-H208 PolarHBondContact OE2-CE1 3.07Å; E206-H208 IonicContact OE2-NE2 3.42Å; E206-H208 PolarHBondContact OE2-NE2 3.28Å; H208-R210 PolarHBondContact O-N 3.47Å; H208-S237 WeakPolarHBondContact CB-OG 3.29Å; H208-S237 PolarHBondContact ND1-OG 3.41Å; H208-A238 PolarHBondContact CE1-N 3.21Å; H208-A238 PolarHBondContact ND1-N 3.42Å; H208-A238 VanDerWaalsContact ND1-N 3.2Å; H208-T239 HydrophobicContact CB-CG2 4.3Å; H208-T239 WeakPolarHBondContact CB-OG1 3.31Å; H208-Q413 PolarHBondContact CD2-NE2 3.21Å; H208-Q413 PolarHBondContact NE2-NE2 2.82Å
209	E	84	Confident	90.3	Very high	51 Å²	51	11.9 Å²	11.9	24%	0.238	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-65.8	-21	169.5	-75.3	-163.7	-135.2	0	0	111.6	P138 R139 E206 A207 T211 T371	P138-E209 HydrophobicContact CG-CB 4.19Å; P138-E209 HydrophobicContact CG-CG 4.4Å; R139-E209 IonicContact CZ-OE1 3.97Å; R139-E209 IonicContact CZ-OE2 3.12Å; R139-E209 IonicContact NE-OE1 3.18Å; R139-E209 PolarHBondContact NE-OE1 2.68Å; R139-E209 IonicContact NE-OE2 2.68Å; R139-E209 PolarHBondContact NE-OE2 3.05Å; R139-E209 VanDerWaalsContact NE-OE2 3.11Å; R139-E209 IonicContact NH2-OE1 2.83Å; R139-E209 IonicContact NH2-OE2 2.81Å; R139-E209 PolarHBondContact NH2-OE2 2.92Å; R139-E209 VanDerWaalsContact NH2-OE2 3.08Å; E206-E209 PolarHBondContact O-N 2.98Å; A207-E209 VanDerWaalsContact C-N 3.27Å; A207-E209 PolarHBondContact O-N 3.08Å; E209-T211 HydrophobicContact CB-CG2 4.05Å; E209-T211 PolarHBondContact O-N 3.41Å; E209-T371 HydrophobicContact CG-CG2 4.2Å; E209-T371 VanDerWaalsContact OE1-CB 3.27Å; E209-T371 WeakPolarHBondContact OE1-CB 3.38Å; E209-T371 PolarHBondContact OE1-OG1 3.08Å
210	R	87.7	Confident	89.9	Confident	61 Å²	61	12.2 Å²	12.2	23%	0.23	6%	0.061	C	C	.	.			trans	48	47.2	175	-62.6	-62.5	-55.9	-75.5	-7	112.1	A207 H208 D215 P445 E446	A207-R210 VanDerWaalsContact O-CD 3.23Å; A207-R210 WeakPolarHBondContact O-CD 3.33Å; A207-R210 PolarHBondContact O-N 3.47Å; H208-R210 PolarHBondContact O-N 3.47Å; R210-D215 IonicContact CZ-OD1 3.63Å; R210-D215 IonicContact CZ-OD2 3.55Å; R210-D215 IonicContact NE-OD1 3.32Å; R210-D215 PolarHBondContact NE-OD1 3.14Å; R210-D215 IonicContact NE-OD2 3.81Å; R210-D215 PolarHBondContact NE-OD2 3.14Å; R210-D215 IonicContact NH2-OD1 3.7Å; R210-D215 PolarHBondContact NH2-OD1 2.75Å; R210-D215 IonicContact NH2-OD2 2.99Å; R210-D215 PolarHBondContact NH2-OD2 2.92Å; R210-P445 HydrophobicContact CB-CB 4.16Å; R210-P445 HydrophobicContact CB-CG 4.42Å; R210-E446 PolarHBondContact O-N 3.35Å
211	T	87.6	Confident	89.8	Confident	20 Å²	20	11.1 Å²	11.1	12%	0.123	6%	0.056	C	C	.	.			trans	-68.4	159.6	176.1	80.9	0	0	0	0	110.2	P138 D183 E209 A213 T214 D215 E446	P138-T211 HydrophobicContact CB-CG2 3.83Å; P138-T211 HydrophobicContact CG-CG2 4.34Å; D183-T211 PolarHBondContact OD2-OG1 2.93Å; E209-T211 HydrophobicContact CB-CG2 4.05Å; E209-T211 PolarHBondContact O-N 3.41Å; T211-A213 VanDerWaalsContact C-N 3.27Å; T211-A213 PolarHBondContact O-N 3.47Å; T211-T214 PolarHBondContact O-N 2.85Å; T211-T214 PolarHBondContact OG1-N 3.25Å; T211-T214 VanDerWaalsContact OG1-N 3.15Å; T211-T214 PolarHBondContact OG1-OG1 3.36Å; T211-D215 PolarHBondContact O-N 3.32Å; T211-E446 VanDerWaalsContact CA-OE2 3.28Å; T211-E446 WeakPolarHBondContact CA-OE2 3.45Å; T211-E446 WeakPolarHBondContact CB-OE2 3.3Å
212	L	85.6	Confident	89.5	Confident	22 Å²	22	12.3 Å²	12.3	12%	0.115	6%	0.061	C	C	.	.	H	α-helix	trans	-54.9	-45.9	178.5	-175.2	53.5	0	0	0	111.9	I216 E446 I447 L452 V455	L212-I216 HydrophobicContact CD1-CD1 4.14Å; L212-I216 HydrophobicContact CG-CD1 4.07Å; L212-I216 VanDerWaalsContact O-CD1 3.23Å; L212-I216 WeakPolarHBondContact O-CD1 3.39Å; L212-I216 VanDerWaalsContact O-CG1 3.24Å; L212-I216 WeakPolarHBondContact O-CG1 3.34Å; L212-I216 PolarHBondContact O-N 3.49Å; L212-E446 HydrophobicContact CB-CG 4.22Å; L212-E446 PolarHBondContact N-OE2 3.43Å; L212-I447 HydrophobicContact CD1-CB 3.67Å; L212-I447 HydrophobicContact CD1-CD1 4.12Å; L212-I447 HydrophobicContact CD1-CG1 3.58Å; L212-L452 HydrophobicContact CD1-CD2 3.93Å; L212-V455 HydrophobicContact CD1-CG2 3.82Å; L212-V455 HydrophobicContact CD2-CG2 3.44Å; L212-V455 VanDerWaalsContact CD2-CG2 3.44Å; L212-V455 HydrophobicContact CG-CG2 3.56Å
213	A	87.8	Confident	89	Confident	19 Å²	19	15.1 Å²	15.1	16%	0.157	7%	0.074	C	C	.	.	H	α-helix	trans	-70.1	-38.3	-179.6	0	0	0	0	0	112.6	D183 T211 D215 I216 L217	D183-A213 HydrophobicContact CB-CB 3.63Å; T211-A213 VanDerWaalsContact C-N 3.27Å; T211-A213 PolarHBondContact O-N 3.47Å; A213-D215 VanDerWaalsContact C-N 3.34Å; A213-D215 PolarHBondContact O-N 3.01Å; A213-I216 PolarHBondContact O-N 3.48Å; A213-L217 VanDerWaalsContact O-CB 3.31Å; A213-L217 WeakPolarHBondContact O-CB 3.31Å; A213-L217 WeakPolarHBondContact O-CG 3.39Å; A213-L217 PolarHBondContact O-N 3.01Å
214	T	89.7	Confident	88.6	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.2	-46.3	176.2	-39.3	0	0	0	0	110.7	D183 A207 T211 L217 M218	D183-T214 PolarHBondContact OD2-OG1 2.75Å; A207-T214 HydrophobicContact CB-CG2 4.41Å; T211-T214 PolarHBondContact O-N 2.85Å; T211-T214 PolarHBondContact OG1-N 3.25Å; T211-T214 VanDerWaalsContact OG1-N 3.15Å; T211-T214 PolarHBondContact OG1-OG1 3.36Å; T214-L217 PolarHBondContact O-N 3.01Å; T214-M218 HydrophobicContact CG2-CE 4.33Å; T214-M218 WeakPolarHBondContact O-CG 3.41Å; T214-M218 PolarHBondContact O-N 3.12Å
215	D	87.1	Confident	88.4	Confident	4 Å²	4	15.7 Å²	15.7	2%	0.021	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-47	-178.4	-84.1	14.4	0	0	0	111.2	R210 T211 A213 L217 M218 G219 L472	R210-D215 IonicContact CZ-OD1 3.63Å; R210-D215 IonicContact CZ-OD2 3.55Å; R210-D215 IonicContact NE-OD1 3.32Å; R210-D215 PolarHBondContact NE-OD1 3.14Å; R210-D215 IonicContact NE-OD2 3.81Å; R210-D215 PolarHBondContact NE-OD2 3.14Å; R210-D215 IonicContact NH2-OD1 3.7Å; R210-D215 PolarHBondContact NH2-OD1 2.75Å; R210-D215 IonicContact NH2-OD2 2.99Å; R210-D215 PolarHBondContact NH2-OD2 2.92Å; T211-D215 PolarHBondContact O-N 3.32Å; A213-D215 VanDerWaalsContact C-N 3.34Å; A213-D215 PolarHBondContact O-N 3.01Å; D215-L217 PolarHBondContact O-N 3.22Å; D215-M218 HydrophobicContact CB-CE 4.46Å; D215-M218 PolarHBondContact O-N 3.48Å; D215-M218 WeakPolarHBondContact OD1-CE 3.4Å; D215-G219 PolarHBondContact O-N 3.36Å; D215-L472 WeakPolarHBondContact O-CD2 3.41Å
216	I	85.6	Confident	88.2	Confident	3 Å²	3	21.1 Å²	21.1	2%	0.015	10%	0.102	C	C	.	.	H	α-helix	trans	-60.6	-46.2	176.6	-63.9	157.4	0	0	0	111	L187 L212 A213 M218 G219 L220 V455 L459	L187-I216 HydrophobicContact CD1-CG2 3.61Å; L187-I216 HydrophobicContact CD2-CB 4.16Å; L187-I216 HydrophobicContact CD2-CD1 4.09Å; L187-I216 HydrophobicContact CD2-CG2 3.77Å; L187-I216 HydrophobicContact CG-CG2 4.36Å; L212-I216 HydrophobicContact CD1-CD1 4.14Å; L212-I216 HydrophobicContact CG-CD1 4.07Å; L212-I216 VanDerWaalsContact O-CD1 3.23Å; L212-I216 WeakPolarHBondContact O-CD1 3.39Å; L212-I216 VanDerWaalsContact O-CG1 3.24Å; L212-I216 WeakPolarHBondContact O-CG1 3.34Å; L212-I216 PolarHBondContact O-N 3.49Å; A213-I216 PolarHBondContact O-N 3.48Å; I216-M218 VanDerWaalsContact C-N 3.33Å; I216-M218 PolarHBondContact O-N 3.02Å; I216-G219 PolarHBondContact O-N 3.27Å; I216-G219 VanDerWaalsContact O-N 3.15Å; I216-L220 PolarHBondContact O-N 2.97Å; I216-V455 HydrophobicContact CD1-CB 3.95Å; I216-V455 HydrophobicContact CD1-CG1 3.31Å; I216-V455 HydrophobicContact CD1-CG2 3.47Å; I216-V455 VanDerWaalsContact CD1-CG2 3.47Å; I216-V455 HydrophobicContact CG1-CG1 3.86Å; I216-L459 HydrophobicContact CG2-CD2 3.81Å
217	L	89.4	Confident	88.2	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.3	-41.9	177.5	-83.6	176.7	0	0	0	112.2	T136 D183 L186 L187 L204 A213 T214 D215 G219 L220 I221	T136-L217 HydrophobicContact CG2-CD1 4.37Å; D183-L217 HydrophobicContact CB-CD1 3.9Å; D183-L217 WeakPolarHBondContact O-CD1 3.42Å; L186-L217 HydrophobicContact CB-CD1 4.13Å; L186-L217 HydrophobicContact CB-CD2 4.22Å; L186-L217 HydrophobicContact CD2-CD1 4.15Å; L186-L217 HydrophobicContact CD2-CD2 4.07Å; L186-L217 HydrophobicContact CG-CD1 4.48Å; L186-L217 HydrophobicContact CG-CD2 3.98Å; L187-L217 HydrophobicContact CB-CD2 4.04Å; L187-L217 HydrophobicContact CB-CG 4.24Å; L187-L217 HydrophobicContact CD1-CD2 4.29Å; L204-L217 HydrophobicContact CD2-CB 4.46Å; L204-L217 HydrophobicContact CD2-CD1 4.29Å; A213-L217 VanDerWaalsContact O-CB 3.31Å; A213-L217 WeakPolarHBondContact O-CB 3.31Å; A213-L217 WeakPolarHBondContact O-CG 3.39Å; A213-L217 PolarHBondContact O-N 3.01Å; T214-L217 PolarHBondContact O-N 3.01Å; D215-L217 PolarHBondContact O-N 3.22Å; L217-G219 VanDerWaalsContact C-N 3.3Å; L217-G219 PolarHBondContact O-N 3.42Å; L217-L220 PolarHBondContact O-N 3.19Å; L217-I221 HydrophobicContact CB-CD1 4.29Å; L217-I221 HydrophobicContact CD2-CD1 4.4Å; L217-I221 WeakPolarHBondContact O-CB 3.04Å; L217-I221 VanDerWaalsContact O-CG1 3.24Å; L217-I221 WeakPolarHBondContact O-CG1 3.16Å; L217-I221 PolarHBondContact O-N 3.28Å
218	M	89.3	Confident	88.2	Confident	9 Å²	9	28.2 Å²	28.2	4%	0.044	13%	0.134	C	C	.	.	H	α-helix	trans	-59.7	-42.2	176	-75.2	-173.1	-69.1	0	0	111.5	L204 T214 D215 I216 K222 F245 Y248 F249	L204-M218 HydrophobicContact CD1-CG 3.54Å; T214-M218 HydrophobicContact CG2-CE 4.33Å; T214-M218 WeakPolarHBondContact O-CG 3.41Å; T214-M218 PolarHBondContact O-N 3.12Å; D215-M218 HydrophobicContact CB-CE 4.46Å; D215-M218 PolarHBondContact O-N 3.48Å; D215-M218 WeakPolarHBondContact OD1-CE 3.4Å; I216-M218 VanDerWaalsContact C-N 3.33Å; I216-M218 PolarHBondContact O-N 3.02Å; M218-K222 VanDerWaalsContact O-CB 3.28Å; M218-K222 WeakPolarHBondContact O-CB 3.29Å; M218-K222 PolarHBondContact O-N 2.97Å; M218-F245 HydrophobicContact CE-CE1 4.02Å; M218-F245 HydrophobicContact SD-CD1 3.83Å; M218-F245 HydrophobicContact SD-CE1 3.62Å; M218-Y248 HydrophobicContact CB-CE1 4.1Å; M218-F249 HydrophobicContact CB-CZ 4.06Å; M218-F249 HydrophobicContact CG-CE2 4.27Å; M218-F249 HydrophobicContact CG-CZ 4.09Å; M218-F249 HydrophobicContact SD-CE2 4.28Å
219	G	86.3	Confident	88.3	Confident	2 Å²	2	32.7 Å²	32.7	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-63	-47.6	175.4	0	0	0	0	0	112.7	D215 I216 L217 K222 E223 Y248	D215-G219 PolarHBondContact O-N 3.36Å; I216-G219 PolarHBondContact O-N 3.27Å; I216-G219 VanDerWaalsContact O-N 3.15Å; L217-G219 VanDerWaalsContact C-N 3.3Å; L217-G219 PolarHBondContact O-N 3.42Å; G219-K222 PolarHBondContact O-N 3.16Å; G219-E223 PolarHBondContact O-N 2.73Å; G219-Y248 VanDerWaalsContact CA-OH 3.29Å; G219-Y248 WeakPolarHBondContact CA-OH 2.99Å; G219-Y248 PolarHBondContact N-OH 3.32Å
220	L	87.4	Confident	88.6	Confident	16 Å²	16	32.8 Å²	32.8	8%	0.084	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-49.8	180	-177.8	64.6	0	0	0	111.9	L187 A190 I216 L217 K222 E223 I224 L462	L187-L220 HydrophobicContact CD1-CD2 4.15Å; A190-L220 HydrophobicContact CB-CD2 3.51Å; I216-L220 PolarHBondContact O-N 2.97Å; L217-L220 PolarHBondContact O-N 3.19Å; L220-K222 VanDerWaalsContact C-N 3.27Å; L220-K222 PolarHBondContact O-N 3.23Å; L220-E223 PolarHBondContact O-N 3.04Å; L220-E223 VanDerWaalsContact O-N 3.07Å; L220-I224 HydrophobicContact CD1-CD1 4.36Å; L220-I224 HydrophobicContact CD2-CD1 4.4Å; L220-I224 HydrophobicContact CG-CD1 3.86Å; L220-I224 HydrophobicContact CG-CG1 4.45Å; L220-I224 WeakPolarHBondContact O-CG1 3.13Å; L220-I224 PolarHBondContact O-N 2.63Å; L220-L462 HydrophobicContact CD1-CD1 4.17Å; L220-L462 HydrophobicContact CD2-CD1 3.92Å; L220-L462 HydrophobicContact CD2-CD2 4.38Å
221	I	90.1	Very high	88.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.5	-34.9	-178.6	-71.6	166.9	0	0	0	110.9	L186 I202 L204 L217 E223 I224 A225 I233	L186-I221 HydrophobicContact CD2-CD1 4.46Å; I202-I221 HydrophobicContact CD1-CD1 4.38Å; I202-I221 HydrophobicContact CD1-CG1 4.49Å; I202-I221 HydrophobicContact CG2-CD1 3.83Å; L204-I221 HydrophobicContact CD1-CD1 4.13Å; L204-I221 HydrophobicContact CD2-CD1 3.87Å; L204-I221 HydrophobicContact CG-CD1 4.31Å; L217-I221 HydrophobicContact CB-CD1 4.29Å; L217-I221 HydrophobicContact CD2-CD1 4.4Å; L217-I221 WeakPolarHBondContact O-CB 3.04Å; L217-I221 VanDerWaalsContact O-CG1 3.24Å; L217-I221 WeakPolarHBondContact O-CG1 3.16Å; L217-I221 PolarHBondContact O-N 3.28Å; I221-E223 VanDerWaalsContact C-N 3.32Å; I221-E223 PolarHBondContact O-N 3.42Å; I221-I224 PolarHBondContact O-N 3.26Å; I221-A225 VanDerWaalsContact O-CB 3.32Å; I221-A225 WeakPolarHBondContact O-CB 3.21Å; I221-A225 PolarHBondContact O-N 3.5Å; I221-I233 HydrophobicContact CG2-CB 4.41Å; I221-I233 HydrophobicContact CG2-CD1 3.24Å; I221-I233 HydrophobicContact CG2-CG1 3.51Å; I221-I233 HydrophobicContact CG2-CG2 4Å
222	K	89.2	Confident	89.2	Confident	25 Å²	25	30.2 Å²	30.2	11%	0.109	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-40.7	173.3	-177	174.3	177.8	175.4	0	111.9	M218 G219 L220 Y248 F249 N471	M218-K222 VanDerWaalsContact O-CB 3.28Å; M218-K222 WeakPolarHBondContact O-CB 3.29Å; M218-K222 PolarHBondContact O-N 2.97Å; G219-K222 PolarHBondContact O-N 3.16Å; L220-K222 VanDerWaalsContact C-N 3.27Å; L220-K222 PolarHBondContact O-N 3.23Å; K222-Y248 HydrophobicContact CB-CE1 4.38Å; K222-Y248 HydrophobicContact CD-CD1 4.33Å; K222-Y248 HydrophobicContact CD-CE1 3.86Å; K222-Y248 WeakPolarHBondContact CE-O 3.49Å; K222-Y248 PolarHBondContact NZ-O 3.19Å; K222-F249 HydrophobicContact CB-CD1 4.43Å; K222-F249 HydrophobicContact CB-CE1 3.99Å; K222-N471 HydrophobicContact CD-CB 4.29Å
223	E	86.6	Confident	89.7	Confident	60 Å²	60	29.2 Å²	29.2	28%	0.28	15%	0.149	S	C	.	.	H	α-helix	trans	-72.9	-38.5	176	-63.6	-53.3	136	0	0	112.3	G219 L220 I221 A225 K226 N471	G219-E223 PolarHBondContact O-N 2.73Å; L220-E223 PolarHBondContact O-N 3.04Å; L220-E223 VanDerWaalsContact O-N 3.07Å; I221-E223 VanDerWaalsContact C-N 3.32Å; I221-E223 PolarHBondContact O-N 3.42Å; E223-A225 VanDerWaalsContact C-N 3.31Å; E223-A225 PolarHBondContact O-N 2.98Å; E223-K226 PolarHBondContact O-N 3.44Å; E223-K226 IonicContact OE1-NZ 2.79Å; E223-K226 PolarHBondContact OE1-NZ 3.47Å; E223-K226 IonicContact OE2-NZ 2.75Å; E223-K226 PolarHBondContact OE2-NZ 3.2Å; E223-N471 PolarHBondContact OE1-ND2 3.47Å; E223-N471 VanDerWaalsContact OE1-ND2 3.11Å
224	I	90	Very high	90.1	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-61.4	-40.7	173.6	-64.1	168.5	0	0	0	110.6	P194 M195 L196 L220 I221 K226 Q227 R228 L231	P194-I224 WeakPolarHBondContact O-CD1 3.45Å; P194-I224 WeakPolarHBondContact O-CG1 3.33Å; M195-I224 HydrophobicContact SD-CG2 4.41Å; L196-I224 HydrophobicContact CD1-CD1 4.02Å; L196-I224 HydrophobicContact CG-CD1 4.29Å; L220-I224 HydrophobicContact CD1-CD1 4.36Å; L220-I224 HydrophobicContact CD2-CD1 4.4Å; L220-I224 HydrophobicContact CG-CD1 3.86Å; L220-I224 HydrophobicContact CG-CG1 4.45Å; L220-I224 WeakPolarHBondContact O-CG1 3.13Å; L220-I224 PolarHBondContact O-N 2.63Å; I221-I224 PolarHBondContact O-N 3.26Å; I224-K226 PolarHBondContact O-N 2.96Å; I224-Q227 CarbonylContact O-C 3.52Å; I224-Q227 PolarHBondContact O-N 3.28Å; I224-R228 HydrophobicContact CG2-CB 4.22Å; I224-R228 HydrophobicContact CG2-CG 4.28Å; I224-R228 PolarHBondContact O-N 3.49Å; I224-L231 HydrophobicContact CG2-CD2 3.76Å
225	A	91	Very high	90.4	Very high	8 Å²	8	28.3 Å²	28.3	7%	0.066	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-34.2	-179.8	0	0	0	0	0	112.7	Q94 I221 E223 Q227 I233	Q94-A225 PolarHBondContact NE2-O 3.08Å; I221-A225 VanDerWaalsContact O-CB 3.32Å; I221-A225 WeakPolarHBondContact O-CB 3.21Å; I221-A225 PolarHBondContact O-N 3.5Å; E223-A225 VanDerWaalsContact C-N 3.31Å; E223-A225 PolarHBondContact O-N 2.98Å; A225-Q227 PolarHBondContact O-N 3.18Å; A225-I233 HydrophobicContact CB-CD1 3.68Å
226	K	90	Very high	90.7	Very high	113 Å²	113	28.1 Å²	28.1	49%	0.491	14%	0.14	S	C	.	.	H	α-helix	trans	-64.7	-29.9	175.3	-61.7	177.1	-168.9	164.5	0	112.6	E223 I224	E223-K226 PolarHBondContact O-N 3.44Å; E223-K226 IonicContact OE1-NZ 2.79Å; E223-K226 PolarHBondContact OE1-NZ 3.47Å; E223-K226 IonicContact OE2-NZ 2.75Å; E223-K226 PolarHBondContact OE2-NZ 3.2Å; I224-K226 PolarHBondContact O-N 2.96Å
227	Q	89.8	Confident	90.9	Very high	138 Å²	138	28 Å²	28	65%	0.645	14%	0.14	S	C	*	.	H	α-helix	trans	-95.1	-29	-178.3	-58.3	-176.8	41.8	0	0	112.6	M195 I224 A225	M195-Q227 HydrophobicContact SD-CB 4.32Å; I224-Q227 CarbonylContact O-C 3.52Å; I224-Q227 PolarHBondContact O-N 3.28Å; A225-Q227 PolarHBondContact O-N 3.18Å
228	R	90.8	Very high	90.5	Very high	15 Å²	15	28.9 Å²	28.9	6%	0.057	15%	0.147	C	C	.	.			trans	-118.1	84.3	-175.8	-76.5	-166.7	61.8	-167.8	-0.1	112.5	Q94 M195 L196 D197 Y199 I224 D230 L231	Q94-R228 PolarHBondContact NE2-O 3.02Å; M195-R228 VanDerWaalsContact O-CD 3.31Å; M195-R228 WeakPolarHBondContact O-CD 3.17Å; M195-R228 PolarHBondContact O-NH1 3.2Å; M195-R228 HydrophobicContact SD-CG 4.25Å; L196-R228 PolarHBondContact O-NH1 3.48Å; D197-R228 IonicContact OD1-CZ 3.53Å; D197-R228 IonicContact OD1-NH1 3.79Å; Y199-R228 PolarHBondContact O-NH2 3.42Å; I224-R228 HydrophobicContact CG2-CB 4.22Å; I224-R228 HydrophobicContact CG2-CG 4.28Å; I224-R228 PolarHBondContact O-N 3.49Å; R228-D230 WeakPolarHBondContact CB-OD1 3.23Å; R228-D230 IonicContact CZ-OD1 3.49Å; R228-D230 IonicContact NE-OD1 3.57Å; R228-D230 PolarHBondContact NE-OD1 2.73Å; R228-D230 IonicContact NH2-OD1 3.26Å; R228-D230 IonicContact NH2-OD2 3.63Å; R228-D230 PolarHBondContact O-N 3.5Å; R228-L231 HydrophobicContact CB-CB 4.03Å; R228-L231 WeakPolarHBondContact O-CB 3.47Å; R228-L231 PolarHBondContact O-N 2.82Å; R228-L231 VanDerWaalsContact O-N 3.17Å
229	T	89.9	Confident	89.8	Confident	117 Å²	117	29.5 Å²	29.5	72%	0.718	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18	177	56.9	0	0	0	0	113.9
230	D	90.1	Very high	88.6	Confident	52 Å²	52	36.9 Å²	36.9	28%	0.278	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-17	178.1	64.4	-17.4	0	0	0	114.1	R131 R228	R131-D230 IonicContact CZ-OD2 2.95Å; R131-D230 IonicContact NH1-OD2 2.98Å; R131-D230 PolarHBondContact NH1-OD2 2.73Å; R131-D230 IonicContact NH2-OD2 3.33Å; R131-D230 PolarHBondContact NH2-OD2 3.47Å; R228-D230 WeakPolarHBondContact CB-OD1 3.23Å; R228-D230 IonicContact CZ-OD1 3.49Å; R228-D230 IonicContact NE-OD1 3.57Å; R228-D230 PolarHBondContact NE-OD1 2.73Å; R228-D230 IonicContact NH2-OD1 3.26Å; R228-D230 IonicContact NH2-OD2 3.63Å; R228-D230 PolarHBondContact O-N 3.5Å
231	L	92.9	Very high	87.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.			trans	-79.3	127.4	178.4	-179.7	65.5	0	0	0	110.5	Q94 I202 I224 R228 I233	Q94-L231 WeakPolarHBondContact CG-O 3.17Å; I202-L231 HydrophobicContact CD1-CD1 3.95Å; I202-L231 HydrophobicContact CD1-CD2 4.24Å; I202-L231 HydrophobicContact CG1-CD1 4.06Å; I224-L231 HydrophobicContact CG2-CD2 3.76Å; R228-L231 HydrophobicContact CB-CB 4.03Å; R228-L231 WeakPolarHBondContact O-CB 3.47Å; R228-L231 PolarHBondContact O-N 2.82Å; R228-L231 VanDerWaalsContact O-N 3.17Å; L231-I233 HydrophobicContact CD2-CD1 4.41Å; L231-I233 HydrophobicContact CD2-CG1 4.39Å; L231-I233 HydrophobicContact CG-CG1 4.28Å
232	K	95.2	Very high	86.8	Confident	28 Å²	28	38.3 Å²	38.3	12%	0.122	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	137.2	173	-59.7	-63	-168.8	168.8	0	111	L90 C91 N93 Q94 F117 Q200 V201 I202	L90-K232 HydrophobicContact CD1-CB 3.81Å; L90-K232 HydrophobicContact CD1-CD 4.5Å; L90-K232 HydrophobicContact CD1-CG 4.15Å; L90-K232 WeakPolarHBondContact O-CE 3.27Å; L90-K232 PolarHBondContact O-NZ 3.37Å; C91-K232 PolarHBondContact O-NZ 2.89Å; C91-K232 VanDerWaalsContact O-NZ 3.07Å; N93-K232 WeakPolarHBondContact O-CD 3.08Å; N93-K232 PolarHBondContact O-NZ 2.85Å; Q94-K232 CarbonylContact O-C 3.57Å; Q94-K232 WeakPolarHBondContact O-CA 3.15Å; F117-K232 HydrophobicContact CE1-CG 4.47Å; Q200-K232 PolarHBondContact O-N 2.92Å; V201-K232 CarbonylContact C-O 3.52Å; V201-K232 VanDerWaalsContact CA-O 3.32Å; V201-K232 WeakPolarHBondContact CA-O 3.5Å; V201-K232 HydrophobicContact CG1-CB 4.23Å; V201-K232 HydrophobicContact CG2-CB 4.17Å; I202-K232 PolarHBondContact N-O 3.13Å
233	I	96.2	Very high	86.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.9	-176.8	-60.2	151.4	0	0	0	109.4	Q94 V95 M96 I202 I221 A225 L231 V235	Q94-I233 PolarHBondContact O-N 3.43Å; V95-I233 CarbonylContact C-O 3.57Å; V95-I233 WeakPolarHBondContact CA-O 3.47Å; V95-I233 HydrophobicContact CB-CB 4.46Å; V95-I233 HydrophobicContact CG1-CB 4.12Å; V95-I233 HydrophobicContact CG1-CG2 4.09Å; V95-I233 HydrophobicContact CG2-CB 4.17Å; V95-I233 HydrophobicContact CG2-CD1 3.91Å; M96-I233 PolarHBondContact N-O 3.07Å; I202-I233 WeakPolarHBondContact O-CA 3.35Å; I221-I233 HydrophobicContact CG2-CB 4.41Å; I221-I233 HydrophobicContact CG2-CD1 3.24Å; I221-I233 HydrophobicContact CG2-CG1 3.51Å; I221-I233 HydrophobicContact CG2-CG2 4Å; A225-I233 HydrophobicContact CB-CD1 3.68Å; L231-I233 HydrophobicContact CD2-CD1 4.41Å; L231-I233 HydrophobicContact CD2-CG1 4.39Å; L231-I233 HydrophobicContact CG-CG1 4.28Å; I233-V235 HydrophobicContact CG2-CG2 4.34Å
234	V	96.7	Very high	86.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	113.2	177.1	-175.2	0	0	0	0	109	F86 L90 M96 L98 I202 L203 L204 M236	F86-V234 HydrophobicContact CE2-CG1 4.18Å; F86-V234 HydrophobicContact CE2-CG2 4.34Å; F86-V234 HydrophobicContact CZ-CG2 4.27Å; L90-V234 HydrophobicContact CD1-CG2 3.91Å; M96-V234 HydrophobicContact CG-CB 4.38Å; M96-V234 HydrophobicContact CG-CG1 4.15Å; M96-V234 HydrophobicContact CG-CG2 3.99Å; M96-V234 WeakPolarHBondContact O-CA 3.46Å; M96-V234 HydrophobicContact SD-CG2 4.29Å; L98-V234 HydrophobicContact CB-CG1 4.34Å; I202-V234 PolarHBondContact O-N 2.82Å; L203-V234 CarbonylContact C-O 3.56Å; L203-V234 VanDerWaalsContact CA-O 3.26Å; L203-V234 WeakPolarHBondContact CA-O 3.39Å; L203-V234 HydrophobicContact CD2-CB 4.05Å; L203-V234 HydrophobicContact CD2-CG1 4.26Å; L203-V234 HydrophobicContact CD2-CG2 4.47Å; L203-V234 HydrophobicContact CG-CB 4.09Å; L204-V234 PolarHBondContact N-O 3.42Å; V234-M236 HydrophobicContact CG1-CG 3.83Å; V234-M236 HydrophobicContact CG1-SD 4.42Å
235	V	95.1	Very high	86.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	114.6	176	-176.6	0	0	0	0	108.6	M96 V97 L98 L204 A207 I233 F245 F249	M96-V235 PolarHBondContact O-N 3.39Å; V97-V235 CarbonylContact C-O 3.24Å; V97-V235 WeakPolarHBondContact CA-O 3.39Å; V97-V235 HydrophobicContact CG2-CB 4.3Å; L98-V235 PolarHBondContact N-O 3.01Å; L204-V235 HydrophobicContact CD1-CG2 4.5Å; A207-V235 HydrophobicContact CB-CG1 3.7Å; I233-V235 HydrophobicContact CG2-CG2 4.34Å; V235-F245 HydrophobicContact CG1-CB 4.49Å; V235-F245 HydrophobicContact CG1-CD1 4.11Å; V235-F245 HydrophobicContact CG1-CG 4.26Å; V235-F249 HydrophobicContact CG2-CD2 4.05Å; V235-F249 HydrophobicContact CG2-CE2 3.6Å; V235-F249 HydrophobicContact CG2-CZ 4.19Å
236	M	94	Very high	86.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.1	-177.6	-53.3	-172.5	-66.7	0	0	111.1	L98 K106 I110 L203 L204 D205 E206 A207 V234	L98-M236 HydrophobicContact CB-CG 4.21Å; L98-M236 CarbonylContact O-C 3.58Å; L98-M236 VanDerWaalsContact O-CA 3.29Å; L98-M236 WeakPolarHBondContact O-CA 3.22Å; K106-M236 HydrophobicContact CB-SD 4.18Å; I110-M236 HydrophobicContact CB-SD 3.84Å; I110-M236 HydrophobicContact CG1-SD 3.98Å; I110-M236 HydrophobicContact CG2-SD 3.84Å; L203-M236 HydrophobicContact CB-CE 3.96Å; L203-M236 HydrophobicContact CD2-CE 3.84Å; L203-M236 HydrophobicContact CD2-SD 3.91Å; L204-M236 PolarHBondContact O-N 3.42Å; D205-M236 HydrophobicContact CB-CE 3.61Å; D205-M236 VanDerWaalsContact CG-CE 3.44Å; D205-M236 WeakPolarHBondContact OD1-CB 3.42Å; E206-M236 PolarHBondContact N-O 2.98Å; A207-M236 PolarHBondContact N-O 2.88Å; V234-M236 HydrophobicContact CG1-CG 3.83Å; V234-M236 HydrophobicContact CG1-SD 4.42Å
237	S	88.3	Confident	86.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	155.6	179.3	-176.9	0	0	0	0	112	L98 V99 G100 K106 H208 T239	L98-S237 PolarHBondContact O-N 3.37Å; V99-S237 WeakPolarHBondContact CA-O 3.39Å; G100-S237 PolarHBondContact N-O 3.24Å; K106-S237 WeakPolarHBondContact CE-O 3.43Å; H208-S237 WeakPolarHBondContact CB-OG 3.29Å; H208-S237 PolarHBondContact ND1-OG 3.41Å; S237-T239 PolarHBondContact OG-N 3.29Å; S237-T239 PolarHBondContact OG-O 2.97Å; S237-T239 PolarHBondContact OG-OG1 3.45Å
238	A	81.8	Confident	85.9	Confident	19 Å²	19	38.8 Å²	38.8	16%	0.157	21%	0.206	C	C	.	.	S	Bend	trans	-95.8	-14.6	172.3	0	0	0	0	0	113.4	G100 T102 H208	G100-A238 WeakPolarHBondContact O-CA 3.34Å; T102-A238 HydrophobicContact CG2-CB 3.62Å; H208-A238 PolarHBondContact CE1-N 3.21Å; H208-A238 PolarHBondContact ND1-N 3.42Å; H208-A238 VanDerWaalsContact ND1-N 3.2Å
239	T	75	Confident	85.9	Confident	22 Å²	22	38.6 Å²	38.6	14%	0.135	21%	0.205	C	C	.	.	S	Bend	trans	-109.9	153.4	-174.3	63	0	0	0	0	111.9	H208 S237 D241	H208-T239 HydrophobicContact CB-CG2 4.3Å; H208-T239 WeakPolarHBondContact CB-OG1 3.31Å; S237-T239 PolarHBondContact OG-N 3.29Å; S237-T239 PolarHBondContact OG-O 2.97Å; S237-T239 PolarHBondContact OG-OG1 3.45Å; T239-D241 PolarHBondContact O-N 3.07Å
240	L	60.5	Low	85.8	Confident	157 Å²	157	39.7 Å²	39.7	82%	0.822	20%	0.202	S	C	*	.	S	Bend	trans	-71.3	-0.8	-178	-82.9	153.3	0	0	0	114.7	A242	L240-A242 PolarHBondContact O-N 2.78Å
241	D	69.5	Low	85.7	Confident	43 Å²	43	43.1 Å²	43.1	23%	0.23	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	20.4	174.9	-151.6	8.8	0	0	0	112.9	T239 G243 K244	T239-D241 PolarHBondContact O-N 3.07Å; D241-G243 PolarHBondContact O-N 2.92Å; D241-K244 PolarHBondContact O-N 3.22Å; D241-K244 VanDerWaalsContact O-N 3.15Å; D241-K244 WeakPolarHBondContact OD1-CD 3.23Å; D241-K244 WeakPolarHBondContact OD1-CE 3.29Å; D241-K244 VanDerWaalsContact OD1-CG 3.31Å; D241-K244 WeakPolarHBondContact OD1-CG 3.27Å; D241-K244 IonicContact OD1-NZ 3.11Å; D241-K244 PolarHBondContact OD1-NZ 3.19Å; D241-K244 WeakPolarHBondContact OD2-CD 3.43Å; D241-K244 WeakPolarHBondContact OD2-CE 3.4Å; D241-K244 IonicContact OD2-NZ 3.67Å; D241-K244 PolarHBondContact OD2-NZ 3.11Å
242	A	71.3	Confident	85.7	Confident	3 Å²	3	43.7 Å²	43.7	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-58	-29.5	177.2	0	0	0	0	0	113.2	V97 V99 L240 K244 F245 Q246 L254	V97-A242 HydrophobicContact CG1-CB 4.14Å; V99-A242 HydrophobicContact CG2-CB 3.21Å; L240-A242 PolarHBondContact O-N 2.78Å; A242-K244 PolarHBondContact O-N 3.06Å; A242-F245 PolarHBondContact O-N 3.29Å; A242-Q246 PolarHBondContact O-N 2.56Å; A242-L254 HydrophobicContact CB-CD1 3.85Å; A242-L254 HydrophobicContact CB-CD2 4.27Å
243	G	80.8	Confident	85.7	Confident	30 Å²	30	44.1 Å²	44.1	31%	0.309	23%	0.23	S	C	.	.	H	α-helix	trans	-57.7	-37.7	175.4	0	0	0	0	0	112.3	D241 Q246 Q247	D241-G243 PolarHBondContact O-N 2.92Å; G243-Q246 PolarHBondContact O-N 2.93Å; G243-Q247 WeakPolarHBondContact O-CB 3.37Å; G243-Q247 VanDerWaalsContact O-CG 3.29Å; G243-Q247 WeakPolarHBondContact O-CG 3.44Å; G243-Q247 PolarHBondContact O-N 3.43Å
244	K	84.5	Confident	85.5	Confident	118 Å²	118	46.8 Å²	46.8	51%	0.513	24%	0.244	S	C	.	.	H	α-helix	trans	-67.4	-37.3	175.8	-68.5	-178	-165.7	150.9	0	112.1	D241 A242 Y248	D241-K244 PolarHBondContact O-N 3.22Å; D241-K244 VanDerWaalsContact O-N 3.15Å; D241-K244 WeakPolarHBondContact OD1-CD 3.23Å; D241-K244 WeakPolarHBondContact OD1-CE 3.29Å; D241-K244 VanDerWaalsContact OD1-CG 3.31Å; D241-K244 WeakPolarHBondContact OD1-CG 3.27Å; D241-K244 IonicContact OD1-NZ 3.11Å; D241-K244 PolarHBondContact OD1-NZ 3.19Å; D241-K244 WeakPolarHBondContact OD2-CD 3.43Å; D241-K244 WeakPolarHBondContact OD2-CE 3.4Å; D241-K244 IonicContact OD2-NZ 3.67Å; D241-K244 PolarHBondContact OD2-NZ 3.11Å; A242-K244 PolarHBondContact O-N 3.06Å; K244-Y248 VanDerWaalsContact O-CB 3.27Å; K244-Y248 WeakPolarHBondContact O-CB 3.28Å; K244-Y248 PolarHBondContact O-N 3.24Å
245	F	86.6	Confident	85.3	Confident	13 Å²	13	46.8 Å²	46.8	6%	0.057	24%	0.244	C	C	.	.	H	α-helix	trans	-70.4	-39.4	176.4	-66.1	-69.9	0	0	0	111.9	V97 A207 M218 V235 A242 Y248 F249	V97-F245 HydrophobicContact CG1-CB 4.36Å; V97-F245 HydrophobicContact CG2-CB 3.91Å; A207-F245 HydrophobicContact CB-CE1 4.04Å; A207-F245 HydrophobicContact CB-CZ 3.92Å; A207-F245 WeakPolarHBondContact O-CZ 3.24Å; M218-F245 HydrophobicContact CE-CE1 4.02Å; M218-F245 HydrophobicContact SD-CD1 3.83Å; M218-F245 HydrophobicContact SD-CE1 3.62Å; V235-F245 HydrophobicContact CG1-CB 4.49Å; V235-F245 HydrophobicContact CG1-CD1 4.11Å; V235-F245 HydrophobicContact CG1-CG 4.26Å; A242-F245 PolarHBondContact O-N 3.29Å; F245-Y248 WeakPolarHBondContact O-CB 3.45Å; F245-Y248 PolarHBondContact O-N 3.15Å; F245-F249 WeakPolarHBondContact O-CD2 3.48Å; F245-F249 PolarHBondContact O-N 3.17Å
246	Q	89.6	Confident	85.1	Confident	46 Å²	46	49.7 Å²	49.7	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-60	-52.3	173.4	-72.1	-173.9	-87.4	0	0	111.2	V97 A242 G243 Y248 F249 E250 D251 C252 L254	V97-Q246 HydrophobicContact CB-CG 4.26Å; V97-Q246 HydrophobicContact CG2-CG 4.04Å; A242-Q246 PolarHBondContact O-N 2.56Å; G243-Q246 PolarHBondContact O-N 2.93Å; Q246-Y248 PolarHBondContact O-N 2.67Å; Q246-F249 CarbonylContact O-C 3.59Å; Q246-F249 VanDerWaalsContact O-C 3.24Å; Q246-F249 PolarHBondContact O-N 3.49Å; Q246-F249 VanDerWaalsContact O-N 3.11Å; Q246-E250 PolarHBondContact O-N 3.49Å; Q246-D251 WeakPolarHBondContact O-CA 3.45Å; Q246-D251 PolarHBondContact O-N 3.38Å; Q246-C252 WeakPolarHBondContact CG-O 3.35Å; Q246-C252 PolarHBondContact NE2-O 3.06Å; Q246-L254 HydrophobicContact CG-CB 4.15Å; Q246-L254 VanDerWaalsContact NE2-CB 3.3Å
247	Q	88.9	Confident	84.8	Confident	119 Å²	119	49.9 Å²	49.9	56%	0.556	27%	0.265	S	S	*	.	H	α-helix	trans	-60	-34.8	178	-72.2	174.5	5.6	0	0	112.2	G243	G243-Q247 WeakPolarHBondContact O-CB 3.37Å; G243-Q247 VanDerWaalsContact O-CG 3.29Å; G243-Q247 WeakPolarHBondContact O-CG 3.44Å; G243-Q247 PolarHBondContact O-N 3.43Å
248	Y	87.5	Confident	84.5	Confident	32 Å²	32	53.5 Å²	53.5	13%	0.125	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-43	176.5	-174	-89.7	0	0	0	112.1	M218 G219 K222 K244 F245 Q246 E250 N471	M218-Y248 HydrophobicContact CB-CE1 4.1Å; G219-Y248 VanDerWaalsContact CA-OH 3.29Å; G219-Y248 WeakPolarHBondContact CA-OH 2.99Å; G219-Y248 PolarHBondContact N-OH 3.32Å; K222-Y248 HydrophobicContact CB-CE1 4.38Å; K222-Y248 HydrophobicContact CD-CD1 4.33Å; K222-Y248 HydrophobicContact CD-CE1 3.86Å; K222-Y248 WeakPolarHBondContact CE-O 3.49Å; K222-Y248 PolarHBondContact NZ-O 3.19Å; K244-Y248 VanDerWaalsContact O-CB 3.27Å; K244-Y248 WeakPolarHBondContact O-CB 3.28Å; K244-Y248 PolarHBondContact O-N 3.24Å; F245-Y248 WeakPolarHBondContact O-CB 3.45Å; F245-Y248 PolarHBondContact O-N 3.15Å; Q246-Y248 PolarHBondContact O-N 2.67Å; Y248-E250 VanDerWaalsContact C-N 3.35Å; Y248-E250 PolarHBondContact O-N 2.81Å; Y248-N471 WeakPolarHBondContact CE2-O 3.17Å; Y248-N471 PolarHBondContact OH-O 2.82Å
249	F	89.2	Confident	83.9	Confident	11 Å²	11	53.7 Å²	53.7	5%	0.048	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	45.9	178.7	-70.9	-75.5	0	0	0	112.2	V95 M218 K222 V235 F245 Q246 D251 C252	V95-F249 HydrophobicContact CG1-CB 3.81Å; V95-F249 HydrophobicContact CG1-CD1 3.89Å; V95-F249 HydrophobicContact CG1-CD2 4.42Å; V95-F249 HydrophobicContact CG1-CG 3.8Å; M218-F249 HydrophobicContact CB-CZ 4.06Å; M218-F249 HydrophobicContact CG-CE2 4.27Å; M218-F249 HydrophobicContact CG-CZ 4.09Å; M218-F249 HydrophobicContact SD-CE2 4.28Å; K222-F249 HydrophobicContact CB-CD1 4.43Å; K222-F249 HydrophobicContact CB-CE1 3.99Å; V235-F249 HydrophobicContact CG2-CD2 4.05Å; V235-F249 HydrophobicContact CG2-CE2 3.6Å; V235-F249 HydrophobicContact CG2-CZ 4.19Å; F245-F249 WeakPolarHBondContact O-CD2 3.48Å; F245-F249 PolarHBondContact O-N 3.17Å; Q246-F249 CarbonylContact O-C 3.59Å; Q246-F249 VanDerWaalsContact O-C 3.24Å; Q246-F249 PolarHBondContact O-N 3.49Å; Q246-F249 VanDerWaalsContact O-N 3.11Å; F249-D251 PolarHBondContact O-N 3.16Å; F249-C252 HydrophobicContact CB-CB 4.43Å; F249-C252 WeakPolarHBondContact O-CB 3.46Å; F249-C252 PolarHBondContact O-N 3.19Å
250	E	88.5	Confident	83.5	Confident	140 Å²	140	59.2 Å²	59.2	65%	0.654	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	46.2	168.5	-61.3	172.6	-162.7	0	0	113.7	Q246 Y248 C252	Q246-E250 PolarHBondContact O-N 3.49Å; Y248-E250 VanDerWaalsContact C-N 3.35Å; Y248-E250 PolarHBondContact O-N 2.81Å; E250-C252 VanDerWaalsContact C-N 3.27Å; E250-C252 PolarHBondContact O-N 3.02Å
251	D	89	Confident	83.8	Confident	125 Å²	125	54.5 Å²	54.5	67%	0.668	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	38.1	178.3	-63	-45.8	0	0	0	113.7	Q246 F249	Q246-D251 WeakPolarHBondContact O-CA 3.45Å; Q246-D251 PolarHBondContact O-N 3.38Å; F249-D251 PolarHBondContact O-N 3.16Å
252	C	92	Very high	84.4	Confident	11 Å²	11	57.2 Å²	57.2	7%	0.074	30%	0.299	C	S	.	.			trans	-61.5	159.8	178	69.8	0	0	0	0	113.3	V95 Q246 F249 E250	V95-C252 HydrophobicContact CB-CB 4.17Å; V95-C252 HydrophobicContact CG1-CB 4.37Å; V95-C252 WeakPolarHBondContact O-CB 3.29Å; Q246-C252 WeakPolarHBondContact CG-O 3.35Å; Q246-C252 PolarHBondContact NE2-O 3.06Å; F249-C252 HydrophobicContact CB-CB 4.43Å; F249-C252 WeakPolarHBondContact O-CB 3.46Å; F249-C252 PolarHBondContact O-N 3.19Å; E250-C252 VanDerWaalsContact C-N 3.27Å; E250-C252 PolarHBondContact O-N 3.02Å
253	P	94.6	Very high	85.1	Confident	38 Å²	38	61.8 Å²	61.8	25%	0.247	33%	0.328	C	S	.	.			trans	-63.8	144	-176.2	-23.5	34.2	0	0	0	113.9	L89 N93 V97	L89-P253 HydrophobicContact CD2-CB 4.05Å; N93-P253 HydrophobicContact CB-CG 4.22Å; N93-P253 VanDerWaalsContact CG-CG 3.47Å; N93-P253 VanDerWaalsContact OD1-CG 3.31Å; N93-P253 WeakPolarHBondContact OD1-CG 3.38Å; V97-P253 PolarHBondContact N-O 3.14Å
254	L	92.5	Very high	85.5	Confident	56 Å²	56	62.1 Å²	62.1	29%	0.293	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.6	174	173.7	64	0	0	0	111.2	V97 V99 A242 Q246	V97-L254 HydrophobicContact CB-CD1 4.1Å; V97-L254 HydrophobicContact CG1-CD1 3.82Å; V97-L254 CarbonylContact O-C 3.58Å; V97-L254 WeakPolarHBondContact O-CA 3.32Å; V99-L254 HydrophobicContact CB-CD1 4.26Å; V99-L254 HydrophobicContact CG2-CD1 3.53Å; A242-L254 HydrophobicContact CB-CD1 3.85Å; A242-L254 HydrophobicContact CB-CD2 4.27Å; Q246-L254 HydrophobicContact CG-CB 4.15Å; Q246-L254 VanDerWaalsContact NE2-CB 3.3Å
255	M	92.6	Very high	86	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.9	167.5	-166	178.6	91.6	0	0	109.8	K85 F86 L89 M96 V97 L98 V99 V257	K85-M255 HydrophobicContact CG-SD 4.49Å; F86-M255 HydrophobicContact CB-CE 3.99Å; F86-M255 HydrophobicContact CB-SD 3.82Å; F86-M255 HydrophobicContact CD2-CE 4.08Å; F86-M255 HydrophobicContact CD2-SD 4.29Å; F86-M255 HydrophobicContact CG-CE 4.48Å; L89-M255 HydrophobicContact CD1-CB 3.92Å; L89-M255 HydrophobicContact CD1-CG 4.18Å; L89-M255 HydrophobicContact CD1-SD 4.2Å; M96-M255 HydrophobicContact CE-CB 4Å; M96-M255 HydrophobicContact CE-SD 4.41Å; V97-M255 PolarHBondContact O-N 3.39Å; L98-M255 WeakPolarHBondContact CA-O 3.18Å; L98-M255 HydrophobicContact CD1-CE 3.35Å; L98-M255 HydrophobicContact CG-CE 3.82Å; V99-M255 PolarHBondContact N-O 3.47Å; M255-V257 HydrophobicContact CE-CG2 3.74Å
256	C	91.1	Very high	86.5	Confident	60 Å²	60	64.1 Å²	64.1	41%	0.405	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.3	173.2	-66.2	0	0	0	0	110.2	V99	V99-C256 CarbonylContact O-C 3.55Å; V99-C256 WeakPolarHBondContact O-CA 3.35Å
257	V	87.7	Confident	86.8	Confident	5 Å²	5	65.8 Å²	65.8	3%	0.03	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	110.7	171.3	-179.7	0	0	0	0	107.4	P78 V79 Y82 V99 G100 M255 G259	P78-V257 HydrophobicContact CB-CG1 3.95Å; V79-V257 HydrophobicContact CB-CG1 4.5Å; V79-V257 HydrophobicContact CG1-CB 4.43Å; V79-V257 HydrophobicContact CG1-CG1 3.94Å; V79-V257 HydrophobicContact CG1-CG2 4.2Å; Y82-V257 HydrophobicContact CD2-CG1 4.11Å; Y82-V257 HydrophobicContact CD2-CG2 4.23Å; Y82-V257 HydrophobicContact CE2-CG1 4.32Å; Y82-V257 HydrophobicContact CG-CG2 4.2Å; V99-V257 PolarHBondContact O-N 3.21Å; G100-V257 WeakPolarHBondContact CA-O 3.33Å; M255-V257 HydrophobicContact CE-CG2 3.74Å; V257-G259 PolarHBondContact O-N 3.36Å
258	P	81.7	Confident	87.2	Confident	75 Å²	75	63.2 Å²	63.2	49%	0.487	33%	0.329	S	S	.	.			trans	-61.1	137.7	176.8	26.3	-32.1	0	0	0	109.5	Y82	Y82-P258 HydrophobicContact CE2-CG 4.31Å; Y82-P258 VanDerWaalsContact OH-CD 3.24Å; Y82-P258 WeakPolarHBondContact OH-CD 3.46Å; Y82-P258 WeakPolarHBondContact OH-CG 3.27Å
259	G	69.3	Low	87.6	Confident	24 Å²	24	62.7 Å²	62.7	25%	0.247	33%	0.329	C	S	.	.			trans	-69.5	151.3	172.7	0	0	0	0	0	111.4	E101 V257	E101-G259 WeakPolarHBondContact OE2-CA 3.28Å; V257-G259 PolarHBondContact O-N 3.36Å
260	R	66.2	Low	87.8	Confident	137 Å²	137	68.3 Å²	68.3	52%	0.517	37%	0.366	S	S	.	.			trans	-104	47.5	160.5	-71	-177.4	176.9	165.9	-0.9	109.2	Q76 P78 E81 F262	Q76-R260 PolarHBondContact O-NH1 3.47Å; P78-R260 HydrophobicContact CG-CB 3.99Å; P78-R260 HydrophobicContact CG-CG 3.93Å; E81-R260 IonicContact OE1-CZ 3.51Å; E81-R260 IonicContact OE1-NH2 2.73Å; E81-R260 PolarHBondContact OE1-NH2 2.91Å; E81-R260 IonicContact OE2-NH2 3.83Å; R260-F262 PolarHBondContact O-N 2.9Å
261	T	66.8	Low	88.1	Confident	59 Å²	59	68.7 Å²	68.7	36%	0.362	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-71.5	130.9	173.5	41.9	0	0	0	0	108.8	E101 G419	E101-T261 WeakPolarHBondContact OE2-CB 3.48Å; E101-T261 WeakPolarHBondContact OE2-CG2 3.24Å; E101-T261 PolarHBondContact OE2-OG1 3.34Å; T261-G419 CarbonylContact C-O 3.58Å; T261-G419 WeakPolarHBondContact CA-O 3.26Å
262	F	81.8	Confident	88.2	Confident	100 Å²	100	67.8 Å²	67.8	44%	0.439	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-67.5	151.6	166.4	-65.9	-89.4	0	0	0	108.9	R260 V264 G419 T421 R422 A423	R260-F262 PolarHBondContact O-N 2.9Å; F262-V264 PolarHBondContact O-N 3.41Å; F262-G419 PolarHBondContact N-O 2.86Å; F262-G419 WeakPolarHBondContact O-CA 3.15Å; F262-T421 VanDerWaalsContact CE2-C 3.48Å; F262-T421 VanDerWaalsContact CE2-O 3.28Å; F262-T421 WeakPolarHBondContact CE2-O 3.19Å; F262-R422 WeakPolarHBondContact CB-O 3.1Å; F262-R422 VanDerWaalsContact CG-C 3.46Å; F262-A423 HydrophobicContact CB-CB 4.37Å; F262-A423 VanDerWaalsContact CB-N 3.32Å
263	P	86.8	Confident	88.2	Confident	98 Å²	98	70.5 Å²	70.5	64%	0.636	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-57.8	140.9	-179.5	23.8	-34.1	0	0	0	111.3	A423 G424	P263-A423 HydrophobicContact CG-CB 4.13Å; P263-A423 WeakPolarHBondContact O-CA 3.32Å; P263-G424 PolarHBondContact O-N 3.01Å; P263-G424 VanDerWaalsContact O-N 3.1Å
264	V	89.1	Confident	87.8	Confident	37 Å²	37	80.8 Å²	80.8	22%	0.224	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116.4	174.8	-175.8	0	0	0	0	108.8	F262 I266 A418 G419 G424 C426	F262-V264 PolarHBondContact O-N 3.41Å; V264-I266 HydrophobicContact CG1-CD1 3.98Å; V264-A418 HydrophobicContact CG1-CB 3.95Å; V264-A418 HydrophobicContact CG2-CB 4.16Å; V264-G419 VanDerWaalsContact CG2-CA 3.46Å; V264-G424 VanDerWaalsContact CA-O 3.31Å; V264-G424 WeakPolarHBondContact CA-O 3.27Å; V264-C426 HydrophobicContact CG1-CB 3.89Å
265	E	95	Very high	87.8	Confident	113 Å²	113	82.1 Å²	82.1	53%	0.528	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.2	172.9	-66.3	177.4	-178.6	0	0	109.7	F267 G424 K425 C426	E265-F267 HydrophobicContact CB-CE2 3.71Å; E265-F267 HydrophobicContact CB-CZ 4.06Å; E265-F267 WeakPolarHBondContact OE2-CZ 3.45Å; E265-G424 PolarHBondContact N-O 3.47Å; E265-K425 HydrophobicContact CB-CG 4.32Å; E265-K425 CarbonylContact O-C 3.43Å; E265-K425 WeakPolarHBondContact O-CA 3.44Å; E265-C426 PolarHBondContact O-N 3.39Å
266	I	96.1	Very high	87.9	Confident	61 Å²	61	84.5 Å²	84.5	31%	0.313	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.6	-179.4	-52	-58.7	0	0	0	109.3	V264 Y268 A415 C426 R428	V264-I266 HydrophobicContact CG1-CD1 3.98Å; I266-Y268 HydrophobicContact CG2-CD2 4.32Å; I266-Y268 HydrophobicContact CG2-CE1 4.29Å; I266-Y268 HydrophobicContact CG2-CE2 3.7Å; I266-A415 HydrophobicContact CD1-CB 3.69Å; I266-C426 HydrophobicContact CD1-CB 3.71Å; I266-R428 HydrophobicContact CG2-CG 4.22Å
267	F	97.3	Very high	88.1	Confident	80 Å²	80	82.7 Å²	82.7	35%	0.351	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.7	174.2	-59.8	-87.2	0	0	0	109.7	E265 K425 C426 F427 R428	E265-F267 HydrophobicContact CB-CE2 3.71Å; E265-F267 HydrophobicContact CB-CZ 4.06Å; E265-F267 WeakPolarHBondContact OE2-CZ 3.45Å; F267-K425 HydrophobicContact CD2-CB 4.35Å; F267-K425 HydrophobicContact CE2-CB 3.88Å; F267-K425 HydrophobicContact CE2-CD 3.77Å; F267-K425 HydrophobicContact CE2-CG 3.83Å; F267-K425 HydrophobicContact CZ-CD 4.23Å; F267-C426 PolarHBondContact N-O 3.48Å; F267-F427 HydrophobicContact CB-CD1 3.86Å; F267-F427 HydrophobicContact CB-CE1 4.35Å; F267-F427 AromaticContact CD2-CD1 3.96Å; F267-F427 HydrophobicContact CD2-CD1 3.96Å; F267-F427 AromaticContact CD2-CE1 3.77Å; F267-F427 HydrophobicContact CD2-CE1 3.77Å; F267-F427 HydrophobicContact CD2-CZ 4.29Å; F267-F427 HydrophobicContact CE2-CE1 4.31Å; F267-F427 HydrophobicContact CG-CD1 4.05Å; F267-F427 HydrophobicContact CG-CE1 4.04Å; F267-R428 WeakPolarHBondContact O-CB 3.25Å; F267-R428 PolarHBondContact O-N 2.89Å
268	Y	97	Very high	88.4	Confident	66 Å²	66	86.2 Å²	86.2	26%	0.259	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	153.4	175	-64.5	-82.3	0	0	0	110	I266 R428 Y430 E432 F435	I266-Y268 HydrophobicContact CG2-CD2 4.32Å; I266-Y268 HydrophobicContact CG2-CE1 4.29Å; I266-Y268 HydrophobicContact CG2-CE2 3.7Å; Y268-R428 HydrophobicContact CD1-CB 3.89Å; Y268-R428 HydrophobicContact CE1-CB 4.18Å; Y268-R428 HydrophobicContact CE1-CG 4.4Å; Y268-R428 PolarHBondContact OH-NH1 3.38Å; Y268-Y430 WeakPolarHBondContact CB-O 3.24Å; Y268-Y430 HydrophobicContact CD1-CD2 4.37Å; Y268-Y430 HydrophobicContact CD1-CE2 4.46Å; Y268-Y430 WeakPolarHBondContact CD1-O 3.28Å; Y268-Y430 HydrophobicContact CE1-CD2 4.49Å; Y268-Y430 HydrophobicContact CE1-CE2 4.2Å; Y268-E432 HydrophobicContact CD1-CB 4.2Å; Y268-E432 HydrophobicContact CD2-CB 3.82Å; Y268-E432 HydrophobicContact CD2-CG 4.08Å; Y268-E432 HydrophobicContact CE1-CB 4.39Å; Y268-E432 HydrophobicContact CE2-CB 4.04Å; Y268-E432 HydrophobicContact CE2-CG 3.79Å; Y268-E432 HydrophobicContact CG-CB 3.9Å; Y268-F435 HydrophobicContact CE1-CB 3.93Å; Y268-F435 HydrophobicContact CE1-CG 4.19Å
269	T	95.6	Very high	89.1	Confident	21 Å²	21	82.6 Å²	82.6	13%	0.129	41%	0.41	C	S	.	.			trans	-73.9	145.3	169	58.9	0	0	0	0	110.3	E271 E273 R428 L429 Y430 T431	T269-E271 VanDerWaalsContact C-N 3.3Å; T269-E271 WeakPolarHBondContact CB-O 3.42Å; T269-E271 PolarHBondContact OG1-O 3.27Å; T269-E273 HydrophobicContact CG2-CG 4.22Å; T269-R428 PolarHBondContact N-O 2.87Å; T269-L429 HydrophobicContact CG2-CB 4.5Å; T269-Y430 PolarHBondContact N-O 3.14Å; T269-Y430 VanDerWaalsContact OG1-C 3.29Å; T269-Y430 WeakPolarHBondContact OG1-CA 3.49Å; T269-Y430 PolarHBondContact OG1-N 2.98Å; T269-T431 WeakPolarHBondContact O-CA 3.28Å
270	P	94	Very high	90.4	Very high	128 Å²	128	81.5 Å²	81.5	83%	0.831	40%	0.399	S	S	*	.	S	Bend	trans	-68.1	-33.3	176.9	26.9	-33.7	0	0	0	111.9
271	E	93.3	Very high	91.9	Very high	148 Å²	148	75.1 Å²	75.1	69%	0.692	38%	0.375	S	S	*	.	S	Bend	trans	-128.3	156.5	-179.9	-63	-173.1	175.4	0	0	111.1	T269 E273	T269-E271 VanDerWaalsContact C-N 3.3Å; T269-E271 WeakPolarHBondContact CB-O 3.42Å; T269-E271 PolarHBondContact OG1-O 3.27Å; E271-E273 PolarHBondContact O-N 3.4Å
272	P	92.7	Very high	93.2	Very high	106 Å²	106	77.7 Å²	77.7	69%	0.688	38%	0.378	S	S	*	.			trans	-65.4	130.4	174.5	-19.4	32.6	0	0	0	112.2	T431	P272-T431 HydrophobicContact CG-CG2 4.1Å
273	E	90.2	Very high	94	Very high	68 Å²	68	73.6 Å²	73.6	32%	0.318	36%	0.361	S	S	.	.			trans	-83.8	127.8	176.7	-67.9	-73.4	-175	0	0	110.8	T269 E271 A279 R282	T269-E273 HydrophobicContact CG2-CG 4.22Å; E271-E273 PolarHBondContact O-N 3.4Å; E273-A279 HydrophobicContact CB-CB 4.07Å; E273-A279 HydrophobicContact CG-CB 3.77Å; E273-R282 IonicContact OE1-CZ 2.71Å; E273-R282 IonicContact OE1-NH2 3.12Å; E273-R282 PolarHBondContact OE1-NH2 2.61Å; E273-R282 IonicContact OE2-NH2 3.85Å
274	R	87.7	Confident	94.5	Very high	255 Å²	255	68.9 Å²	68.9	96%	0.962	33%	0.331	S	S	*	.	S	Bend	trans	-74.5	-39.5	178.5	-69.4	-175	-178.8	-177.5	1.6	112.5
275	D	92.5	Very high	94.8	Very high	83 Å²	83	68.6 Å²	68.6	44%	0.444	33%	0.327	S	S	.	.			trans	-114.2	94.9	176.4	-170.4	-24.4	0	0	0	108.3	L277 E278 A279	D275-L277 PolarHBondContact O-N 2.96Å; D275-L277 WeakPolarHBondContact OD1-CB 3.44Å; D275-L277 PolarHBondContact OD1-N 3.13Å; D275-E278 HydrophobicContact CB-CB 4.01Å; D275-E278 PolarHBondContact O-N 3.11Å; D275-E278 PolarHBondContact OD1-N 3.43Å; D275-A279 PolarHBondContact O-N 3.25Å; D275-A279 VanDerWaalsContact O-N 3.1Å
276	Y	94.6	Very high	94.8	Very high	50 Å²	50	68.8 Å²	68.8	20%	0.196	33%	0.329	C	S	.	.	H	α-helix	trans	-70.9	-20.6	-178.3	70.2	-99.7	0	0	0	112.1	A280 L301 E306 P384 F386	Y276-A280 WeakPolarHBondContact O-CB 3.46Å; Y276-A280 PolarHBondContact O-N 3.08Å; Y276-L301 HydrophobicContact CE2-CD2 4.31Å; Y276-E306 WeakPolarHBondContact CE2-OE1 3.46Å; Y276-E306 PolarHBondContact OH-OE1 3.26Å; Y276-P384 HydrophobicContact CD2-CB 3.63Å; Y276-P384 HydrophobicContact CD2-CG 4.29Å; Y276-P384 HydrophobicContact CE2-CB 4.42Å; Y276-P384 HydrophobicContact CG-CB 4.19Å; Y276-F386 AromaticContact CD1-CD2 3.74Å; Y276-F386 HydrophobicContact CD1-CD2 3.74Å; Y276-F386 AromaticContact CD1-CE2 3.69Å; Y276-F386 HydrophobicContact CD1-CE2 3.69Å; Y276-F386 HydrophobicContact CD2-CD2 4.28Å; Y276-F386 HydrophobicContact CE1-CD2 4.02Å; Y276-F386 HydrophobicContact CE1-CE2 4.28Å; Y276-F386 HydrophobicContact CE2-CD2 4.5Å; Y276-F386 AromaticContact CG-CD2 3.91Å; Y276-F386 HydrophobicContact CG-CD2 3.91Å; Y276-F386 HydrophobicContact CG-CE2 4.02Å
277	L	94.5	Very high	94.8	Very high	22 Å²	22	66.1 Å²	66.1	12%	0.115	32%	0.315	C	S	.	.	H	α-helix	trans	-72.8	-45.4	176.2	178.9	64.5	0	0	0	110	D275 A280 I281 L301 E306 A310	D275-L277 PolarHBondContact O-N 2.96Å; D275-L277 WeakPolarHBondContact OD1-CB 3.44Å; D275-L277 PolarHBondContact OD1-N 3.13Å; L277-A280 PolarHBondContact O-N 2.78Å; L277-I281 HydrophobicContact CD1-CD1 4.3Å; L277-I281 HydrophobicContact CG-CD1 4.18Å; L277-I281 WeakPolarHBondContact O-CG1 3.41Å; L277-I281 PolarHBondContact O-N 3.01Å; L277-L301 HydrophobicContact CD1-CD1 3.99Å; L277-L301 HydrophobicContact CD1-CD2 4.07Å; L277-E306 HydrophobicContact CD1-CG 3.93Å; L277-E306 HydrophobicContact CD2-CG 4.32Å; L277-A310 HydrophobicContact CD1-CB 3.92Å
278	E	94.7	Very high	94.6	Very high	79 Å²	79	62.8 Å²	62.8	37%	0.369	30%	0.3	S	S	.	.	H	α-helix	trans	-59.4	-49.2	173	-173.1	60.4	-148.6	0	0	111.4	D275 A280 I281 R282 R313	D275-E278 HydrophobicContact CB-CB 4.01Å; D275-E278 PolarHBondContact O-N 3.11Å; D275-E278 PolarHBondContact OD1-N 3.43Å; E278-A280 VanDerWaalsContact C-N 3.27Å; E278-A280 PolarHBondContact O-N 2.59Å; E278-I281 PolarHBondContact O-N 2.91Å; E278-R282 WeakPolarHBondContact O-CB 3.25Å; E278-R282 PolarHBondContact O-N 3.43Å; E278-R313 IonicContact OE1-NH2 3.54Å; E278-R313 IonicContact OE2-CZ 2.59Å; E278-R313 IonicContact OE2-NH1 2.8Å; E278-R313 IonicContact OE2-NH2 3.69Å; E278-R313 PolarHBondContact OE2-NH2 3.45Å
279	A	96	Very high	94.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-38.2	178.1	0	0	0	0	0	111.9	E273 D275 T283 L429	E273-A279 HydrophobicContact CB-CB 4.07Å; E273-A279 HydrophobicContact CG-CB 3.77Å; D275-A279 PolarHBondContact O-N 3.25Å; D275-A279 VanDerWaalsContact O-N 3.1Å; A279-T283 WeakPolarHBondContact O-CB 3.42Å; A279-T283 PolarHBondContact O-N 3.28Å; A279-T283 PolarHBondContact O-OG1 3.26Å; A279-L429 HydrophobicContact CB-CD1 4.06Å
280	A	97.2	Very high	94.3	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.7	-48.3	176.2	0	0	0	0	0	112.3	Y276 L277 E278 T283 V284 L299 P384 L429	Y276-A280 WeakPolarHBondContact O-CB 3.46Å; Y276-A280 PolarHBondContact O-N 3.08Å; L277-A280 PolarHBondContact O-N 2.78Å; E278-A280 VanDerWaalsContact C-N 3.27Å; E278-A280 PolarHBondContact O-N 2.59Å; A280-T283 PolarHBondContact O-N 2.84Å; A280-V284 WeakPolarHBondContact O-CG2 3.19Å; A280-V284 PolarHBondContact O-N 2.6Å; A280-L299 HydrophobicContact CB-CD1 3.67Å; A280-L299 HydrophobicContact CB-CD2 4.14Å; A280-P384 HydrophobicContact CB-CG 4.29Å; A280-L429 HydrophobicContact CB-CD1 3.79Å
281	I	96.4	Very high	94.3	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.015	30%	0.301	C	S	.	.	H	α-helix	trans	-61.1	-47.3	178.4	-66.8	166.4	0	0	0	110	L277 E278 T283 V284 L285 R313 I314	L277-I281 HydrophobicContact CD1-CD1 4.3Å; L277-I281 HydrophobicContact CG-CD1 4.18Å; L277-I281 WeakPolarHBondContact O-CG1 3.41Å; L277-I281 PolarHBondContact O-N 3.01Å; E278-I281 PolarHBondContact O-N 2.91Å; I281-T283 VanDerWaalsContact C-N 3.28Å; I281-T283 PolarHBondContact O-N 3.27Å; I281-V284 WeakPolarHBondContact O-CB 3.15Å; I281-V284 PolarHBondContact O-N 3.09Å; I281-V284 VanDerWaalsContact O-N 3.16Å; I281-L285 HydrophobicContact CG2-CD1 4.18Å; I281-L285 WeakPolarHBondContact O-CG 2.96Å; I281-L285 PolarHBondContact O-N 2.81Å; I281-R313 HydrophobicContact CD1-CB 3.87Å; I281-R313 VanDerWaalsContact CD1-CZ 3.49Å; I281-I314 HydrophobicContact CB-CG1 4.4Å; I281-I314 HydrophobicContact CG1-CD1 4.47Å; I281-I314 HydrophobicContact CG1-CG1 4.06Å; I281-I314 HydrophobicContact CG2-CG1 3.97Å
282	R	95.9	Very high	94.1	Very high	114 Å²	114	63.6 Å²	63.6	43%	0.43	31%	0.307	S	S	.	.	H	α-helix	trans	-55.9	-43.1	175.5	-175	179.2	67.3	-144.9	0.1	112	E273 E278 L285 Q286	E273-R282 IonicContact OE1-CZ 2.71Å; E273-R282 IonicContact OE1-NH2 3.12Å; E273-R282 PolarHBondContact OE1-NH2 2.61Å; E273-R282 IonicContact OE2-NH2 3.85Å; E278-R282 WeakPolarHBondContact O-CB 3.25Å; E278-R282 PolarHBondContact O-N 3.43Å; R282-L285 PolarHBondContact O-N 3.5Å; R282-Q286 WeakPolarHBondContact O-CB 3.36Å; R282-Q286 PolarHBondContact O-N 3.41Å
283	T	96.9	Very high	93.9	Very high	13 Å²	13	63.1 Å²	63.1	8%	0.08	30%	0.298	C	S	.	.	H	α-helix	trans	-66.7	-40.5	178.5	-55.5	0	0	0	0	111.8	A279 A280 I281 L285 Q286 I287 I382 F427 L429	A279-T283 WeakPolarHBondContact O-CB 3.42Å; A279-T283 PolarHBondContact O-N 3.28Å; A279-T283 PolarHBondContact O-OG1 3.26Å; A280-T283 PolarHBondContact O-N 2.84Å; I281-T283 VanDerWaalsContact C-N 3.28Å; I281-T283 PolarHBondContact O-N 3.27Å; T283-L285 VanDerWaalsContact C-N 3.34Å; T283-L285 PolarHBondContact O-N 3.48Å; T283-Q286 PolarHBondContact O-N 2.81Å; T283-I287 HydrophobicContact CG2-CD1 3.86Å; T283-I287 HydrophobicContact CG2-CG1 4.45Å; T283-I287 WeakPolarHBondContact O-CD1 3.06Å; T283-I287 VanDerWaalsContact O-CG1 3.27Å; T283-I287 WeakPolarHBondContact O-CG1 3.49Å; T283-I287 PolarHBondContact O-N 3.26Å; T283-I382 HydrophobicContact CG2-CD1 3.92Å; T283-I382 HydrophobicContact CG2-CG1 3.98Å; T283-I382 HydrophobicContact CG2-CG2 4.21Å; T283-F427 HydrophobicContact CG2-CB 3.91Å; T283-F427 HydrophobicContact CG2-CD1 4.49Å; T283-F427 HydrophobicContact CG2-CD2 4.46Å; T283-F427 HydrophobicContact CG2-CG 4.05Å; T283-L429 HydrophobicContact CG2-CD2 4.49Å
284	V	97.1	Very high	94	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.6	-48.5	173.6	171.7	0	0	0	0	110.6	A280 I281 I287 H288 I297 L299 I314 L328 I382	A280-V284 WeakPolarHBondContact O-CG2 3.19Å; A280-V284 PolarHBondContact O-N 2.6Å; I281-V284 WeakPolarHBondContact O-CB 3.15Å; I281-V284 PolarHBondContact O-N 3.09Å; I281-V284 VanDerWaalsContact O-N 3.16Å; V284-I287 PolarHBondContact O-N 3.1Å; V284-H288 WeakPolarHBondContact O-CB 3.42Å; V284-H288 PolarHBondContact O-N 3.27Å; V284-I297 HydrophobicContact CG1-CD1 4.19Å; V284-I297 HydrophobicContact CG2-CG2 4.42Å; V284-L299 HydrophobicContact CG2-CD2 3.95Å; V284-I314 HydrophobicContact CB-CD1 4.43Å; V284-I314 HydrophobicContact CG1-CD1 4.22Å; V284-I314 HydrophobicContact CG1-CG1 4.45Å; V284-I314 HydrophobicContact CG1-CG2 4.02Å; V284-I314 HydrophobicContact CG2-CD1 4.18Å; V284-L328 HydrophobicContact CG1-CD2 3.88Å; V284-I382 HydrophobicContact CB-CD1 4.19Å; V284-I382 HydrophobicContact CG2-CD1 3.32Å
285	L	95.5	Very high	94.2	Very high	30 Å²	30	52 Å²	52	16%	0.157	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-45.6	180	-63.4	172.3	0	0	0	111	I281 R282 T283 I287 H288 V289 E317 I318 L321	I281-L285 HydrophobicContact CG2-CD1 4.18Å; I281-L285 WeakPolarHBondContact O-CG 2.96Å; I281-L285 PolarHBondContact O-N 2.81Å; R282-L285 PolarHBondContact O-N 3.5Å; T283-L285 VanDerWaalsContact C-N 3.34Å; T283-L285 PolarHBondContact O-N 3.48Å; L285-I287 PolarHBondContact O-N 2.94Å; L285-H288 PolarHBondContact O-N 3.44Å; L285-H288 VanDerWaalsContact O-N 3.17Å; L285-V289 WeakPolarHBondContact O-CG2 3.46Å; L285-V289 PolarHBondContact O-N 3.17Å; L285-E317 HydrophobicContact CD1-CB 3.69Å; L285-E317 HydrophobicContact CD1-CG 4Å; L285-E317 HydrophobicContact CD2-CB 3.94Å; L285-E317 HydrophobicContact CG-CB 4.45Å; L285-I318 HydrophobicContact CD2-CD1 4.05Å; L285-I318 HydrophobicContact CD2-CG1 3.5Å; L285-L321 HydrophobicContact CD2-CD1 4.47Å
286	Q	95.2	Very high	94.4	Very high	118 Å²	118	48.4 Å²	48.4	55%	0.551	24%	0.241	S	C	*	.	H	α-helix	trans	-60.7	-43.3	178.5	-173.5	177.3	-6.2	0	0	112.2	R282 T283 H288 V289 C290	R282-Q286 WeakPolarHBondContact O-CB 3.36Å; R282-Q286 PolarHBondContact O-N 3.41Å; T283-Q286 PolarHBondContact O-N 2.81Å; Q286-H288 VanDerWaalsContact C-N 3.34Å; Q286-V289 PolarHBondContact O-N 3.16Å; Q286-C290 VanDerWaalsContact O-CB 3.22Å; Q286-C290 WeakPolarHBondContact O-CB 3.35Å; Q286-C290 PolarHBondContact O-N 2.75Å
287	I	95.7	Very high	94.5	Very high	4 Å²	4	46 Å²	46	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-44.7	175.1	-69.1	161.2	0	0	0	110.4	T283 V284 L285 V289 E291 I297 F380 I382 F427	T283-I287 HydrophobicContact CG2-CD1 3.86Å; T283-I287 HydrophobicContact CG2-CG1 4.45Å; T283-I287 WeakPolarHBondContact O-CD1 3.06Å; T283-I287 VanDerWaalsContact O-CG1 3.27Å; T283-I287 WeakPolarHBondContact O-CG1 3.49Å; T283-I287 PolarHBondContact O-N 3.26Å; V284-I287 PolarHBondContact O-N 3.1Å; L285-I287 PolarHBondContact O-N 2.94Å; I287-V289 VanDerWaalsContact C-N 3.31Å; I287-V289 PolarHBondContact O-N 2.94Å; I287-E291 HydrophobicContact CB-CG 4.49Å; I287-E291 HydrophobicContact CG2-CB 4.5Å; I287-E291 HydrophobicContact CG2-CG 4.14Å; I287-E291 WeakPolarHBondContact O-CB 3.34Å; I287-E291 PolarHBondContact O-N 2.88Å; I287-I297 HydrophobicContact CB-CD1 4.06Å; I287-I297 HydrophobicContact CG2-CD1 3.65Å; I287-I297 HydrophobicContact CG2-CG1 3.9Å; I287-F380 HydrophobicContact CD1-CB 4.21Å; I287-F380 HydrophobicContact CG2-CB 4.03Å; I287-F380 HydrophobicContact CG2-CD1 3.93Å; I287-F380 HydrophobicContact CG2-CD2 3.8Å; I287-F380 HydrophobicContact CG2-CE1 4.35Å; I287-F380 HydrophobicContact CG2-CE2 4.25Å; I287-F380 HydrophobicContact CG2-CG 3.63Å; I287-F380 HydrophobicContact CG2-CZ 4.5Å; I287-I382 HydrophobicContact CD1-CD1 3.79Å; I287-I382 HydrophobicContact CD1-CG1 3.82Å; I287-F427 HydrophobicContact CD1-CD2 3.52Å; I287-F427 HydrophobicContact CD1-CE2 3.43Å; I287-F427 VanDerWaalsContact CD1-CE2 3.43Å; I287-F427 HydrophobicContact CD1-CG 4.38Å; I287-F427 HydrophobicContact CD1-CZ 4.25Å; I287-F427 HydrophobicContact CG1-CD2 4.2Å; I287-F427 HydrophobicContact CG1-CE2 3.65Å; I287-F427 HydrophobicContact CG1-CZ 4.01Å
288	H	94.5	Very high	94.6	Very high	11 Å²	11	45.1 Å²	45.1	5%	0.051	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-36.7	-177.8	-169.9	55.2	0	0	0	112.8	V284 L285 Q286 I325 G326 R360	V284-H288 WeakPolarHBondContact O-CB 3.42Å; V284-H288 PolarHBondContact O-N 3.27Å; L285-H288 PolarHBondContact O-N 3.44Å; L285-H288 VanDerWaalsContact O-N 3.17Å; Q286-H288 VanDerWaalsContact C-N 3.34Å; H288-I325 WeakPolarHBondContact NE2-CG2 3.34Å; H288-G326 PolarHBondContact CE1-O 2.98Å; H288-G326 PolarHBondContact NE2-O 3.26Å; H288-R360 VanDerWaalsContact ND1-CD 3.34Å; H288-R360 WeakPolarHBondContact ND1-CD 3.36Å
289	V	92.4	Very high	94.8	Very high	77 Å²	77	41.4 Å²	41.4	47%	0.467	21%	0.209	S	C	.	.	H	α-helix	trans	-87.4	-42.3	-177.4	179.3	0	0	0	0	113.2	L285 Q286 I287 L321 I325	L285-V289 WeakPolarHBondContact O-CG2 3.46Å; L285-V289 PolarHBondContact O-N 3.17Å; Q286-V289 PolarHBondContact O-N 3.16Å; I287-V289 VanDerWaalsContact C-N 3.31Å; I287-V289 PolarHBondContact O-N 2.94Å; V289-L321 HydrophobicContact CG2-CD1 4.13Å; V289-I325 HydrophobicContact CG2-CD1 3.75Å
290	C	92.9	Very high	94.9	Very high	85 Å²	85	41.4 Å²	41.4	57%	0.574	21%	0.209	S	C	*	.	H	α-helix	trans	-97.8	-27.5	-167.8	-59.3	0	0	0	0	114.5	Q286 E292	Q286-C290 VanDerWaalsContact O-CB 3.22Å; Q286-C290 WeakPolarHBondContact O-CB 3.35Å; Q286-C290 PolarHBondContact O-N 2.75Å; C290-E292 PolarHBondContact O-N 3.13Å
291	E	93.6	Very high	94.9	Very high	39 Å²	39	41.5 Å²	41.5	18%	0.182	21%	0.21	C	C	.	.			trans	-78.1	122.1	-178.6	-68.7	-76.5	164.3	0	0	110.3	I287 I293 R360 F380 K425	I287-E291 HydrophobicContact CB-CG 4.49Å; I287-E291 HydrophobicContact CG2-CB 4.5Å; I287-E291 HydrophobicContact CG2-CG 4.14Å; I287-E291 WeakPolarHBondContact O-CB 3.34Å; I287-E291 PolarHBondContact O-N 2.88Å; E291-I293 VanDerWaalsContact C-N 3.33Å; E291-R360 PolarHBondContact O-NH2 3.34Å; E291-F380 HydrophobicContact CB-CE1 4.09Å; E291-F380 HydrophobicContact CB-CZ 3.88Å; E291-F380 HydrophobicContact CG-CD1 4.45Å; E291-F380 HydrophobicContact CG-CE1 3.73Å; E291-F380 HydrophobicContact CG-CZ 4.07Å; E291-K425 IonicContact OE1-NZ 2.84Å; E291-K425 PolarHBondContact OE1-NZ 2.86Å; E291-K425 IonicContact OE2-NZ 3.67Å; E291-K425 PolarHBondContact OE2-NZ 3.11Å
292	E	88.9	Confident	94.7	Very high	178 Å²	178	41.9 Å²	41.9	83%	0.832	21%	0.212	S	C	*	.			trans	-80.6	-14.9	180	-60.7	-177.2	171.8	0	0	113	C290 I358	C290-E292 PolarHBondContact O-N 3.13Å; E292-I358 WeakPolarHBondContact O-CD1 3.46Å
293	I	90.4	Very high	94.4	Very high	96 Å²	96	36.8 Å²	36.8	49%	0.492	20%	0.195	S	C	.	.	S	Bend	trans	-87.4	135.3	-176.2	-56.3	171.4	0	0	0	109.9	E291 R360	E291-I293 VanDerWaalsContact C-N 3.33Å; I293-R360 VanDerWaalsContact O-CZ 3.26Å; I293-R360 PolarHBondContact O-NH1 2.9Å; I293-R360 PolarHBondContact O-NH2 3.33Å
294	E	91.4	Very high	93.9	Very high	80 Å²	80	40.5 Å²	40.5	37%	0.374	21%	0.212	S	C	.	.			trans	-64.5	139.4	171.9	-68	-174.2	176.7	0	0	112.4	R352 I358 R422	E294-R352 IonicContact OE1-CZ 2.96Å; E294-R352 IonicContact OE1-NE 3.67Å; E294-R352 PolarHBondContact OE1-NE 3.02Å; E294-R352 IonicContact OE1-NH2 3.83Å; E294-R352 PolarHBondContact OE1-NH2 3.11Å; E294-I358 HydrophobicContact CB-CG2 4.5Å; E294-I358 HydrophobicContact CG-CD1 4.27Å; E294-I358 HydrophobicContact CG-CG1 4.45Å; E294-I358 HydrophobicContact CG-CG2 3.96Å; E294-R422 PolarHBondContact O-NH1 3.39Å
295	G	92.7	Very high	93.3	Very high	10 Å²	10	48.5 Å²	48.5	10%	0.103	25%	0.249	C	C	.	.			trans	165.5	146.8	177.4	0	0	0	0	0	112.4	R360	G295-R360 VanDerWaalsContact N-NH1 3.12Å; G295-R360 PolarHBondContact O-NH1 3.38Å
296	D	95.9	Very high	93	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.043	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	156.2	177.5	-63.6	-32.6	0	0	0	111	S349 K361 G377 V378 V379 F380	D296-S349 WeakPolarHBondContact OD1-CB 3.4Å; D296-K361 WeakPolarHBondContact CA-O 3.36Å; D296-K361 HydrophobicContact CB-CB 4.28Å; D296-K361 WeakPolarHBondContact CB-O 3.1Å; D296-K361 WeakPolarHBondContact OD1-CB 3.46Å; D296-K361 PolarHBondContact OD1-N 3.02Å; D296-K361 WeakPolarHBondContact OD2-CE 3.47Å; D296-K361 IonicContact OD2-NZ 3.52Å; D296-K361 PolarHBondContact OD2-NZ 2.89Å; D296-G377 WeakPolarHBondContact CB-O 3.5Å; D296-G377 PolarHBondContact N-O 2.95Å; D296-V378 HydrophobicContact CB-CG2 4.32Å; D296-V379 PolarHBondContact O-N 2.9Å; D296-F380 PolarHBondContact O-N 3.28Å; D296-F380 VanDerWaalsContact O-N 3.08Å
297	I	97.1	Very high	93	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.5	-178.4	-53.2	174.5	0	0	0	108.6	V284 I287 L328 K361 C362 V363 F380 I382	V284-I297 HydrophobicContact CG1-CD1 4.19Å; V284-I297 HydrophobicContact CG2-CG2 4.42Å; I287-I297 HydrophobicContact CB-CD1 4.06Å; I287-I297 HydrophobicContact CG2-CD1 3.65Å; I287-I297 HydrophobicContact CG2-CG1 3.9Å; I297-L328 HydrophobicContact CD1-CD1 4.5Å; I297-K361 PolarHBondContact N-O 2.95Å; I297-C362 HydrophobicContact CB-CB 4.27Å; I297-C362 CarbonylContact O-C 3.59Å; I297-C362 WeakPolarHBondContact O-CA 3.42Å; I297-V363 PolarHBondContact O-N 3.03Å; I297-F380 CarbonylContact C-O 3.43Å; I297-F380 WeakPolarHBondContact CA-O 3.43Å; I297-F380 HydrophobicContact CG1-CB 4.25Å; I297-F380 HydrophobicContact CG1-CD2 4.35Å; I297-I382 HydrophobicContact CG2-CD1 3.77Å; I297-I382 HydrophobicContact CG2-CG1 4.23Å
298	L	97	Very high	92.7	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	110.7	168.8	177.1	61	0	0	0	109.3	F300 V363 A369 I375 V378 F380 V381 I382 R417	L298-F300 HydrophobicContact CD2-CE2 3.76Å; L298-F300 HydrophobicContact CD2-CZ 3.62Å; L298-F300 HydrophobicContact CG-CD2 4.48Å; L298-F300 HydrophobicContact CG-CE2 3.9Å; L298-F300 HydrophobicContact CG-CZ 4.05Å; L298-V363 WeakPolarHBondContact CA-O 3.47Å; L298-V363 HydrophobicContact CD1-CB 4.02Å; L298-V363 HydrophobicContact CD1-CG1 4.04Å; L298-A369 HydrophobicContact CD1-CB 4Å; L298-A369 HydrophobicContact CD2-CB 4.22Å; L298-I375 HydrophobicContact CD1-CD1 4.3Å; L298-V378 HydrophobicContact CB-CG1 3.7Å; L298-V378 HydrophobicContact CB-CG2 4.27Å; L298-F380 PolarHBondContact N-O 2.73Å; L298-V381 HydrophobicContact CB-CG2 4.32Å; L298-V381 CarbonylContact O-C 3.54Å; L298-V381 WeakPolarHBondContact O-CA 3.36Å; L298-I382 PolarHBondContact O-N 3.01Å; L298-R417 HydrophobicContact CD2-CB 3.84Å; L298-R417 HydrophobicContact CD2-CG 3.86Å
299	L	97.9	Very high	92.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.3	177	168.2	58.8	0	0	0	109.9	A280 V284 L301 I314 V363 V364 S365 I382 P384	A280-L299 HydrophobicContact CB-CD1 3.67Å; A280-L299 HydrophobicContact CB-CD2 4.14Å; V284-L299 HydrophobicContact CG2-CD2 3.95Å; L299-L301 HydrophobicContact CD1-CD2 4.32Å; L299-L301 HydrophobicContact CD1-CG 4.41Å; L299-L301 HydrophobicContact CD2-CD1 4.12Å; L299-L301 HydrophobicContact CD2-CG 4.25Å; L299-L301 HydrophobicContact CG-CD1 4.43Å; L299-L301 HydrophobicContact CG-CD2 4.47Å; L299-L301 HydrophobicContact CG-CG 4.07Å; L299-I314 HydrophobicContact CD2-CD1 4.48Å; L299-V363 PolarHBondContact N-O 3.42Å; L299-V364 HydrophobicContact CD2-CG1 4.02Å; L299-V364 HydrophobicContact CD2-CG2 4.38Å; L299-V364 HydrophobicContact CG-CG1 4.25Å; L299-S365 PolarHBondContact O-N 3.04Å; L299-I382 HydrophobicContact CB-CB 4.46Å; L299-I382 HydrophobicContact CD1-CB 3.74Å; L299-I382 HydrophobicContact CD1-CG2 3.66Å; L299-P384 HydrophobicContact CD1-CG 4.1Å
300	F	97.7	Very high	92.7	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	123.6	173.8	-71.2	-80.8	0	0	0	111.8	L298 S365 T366 A369 E370 V381 I382 P384 R414 R417	L298-F300 HydrophobicContact CD2-CE2 3.76Å; L298-F300 HydrophobicContact CD2-CZ 3.62Å; L298-F300 HydrophobicContact CG-CD2 4.48Å; L298-F300 HydrophobicContact CG-CE2 3.9Å; L298-F300 HydrophobicContact CG-CZ 4.05Å; F300-S365 CarbonylContact C-O 3.54Å; F300-S365 VanDerWaalsContact CA-O 3.31Å; F300-S365 WeakPolarHBondContact CA-O 3.27Å; F300-T366 WeakPolarHBondContact CD1-O 3.23Å; F300-A369 HydrophobicContact CE1-CB 4.01Å; F300-A369 HydrophobicContact CZ-CB 4.34Å; F300-E370 HydrophobicContact CE1-CB 4.14Å; F300-V381 HydrophobicContact CD2-CG1 4.03Å; F300-V381 HydrophobicContact CE2-CG1 3.81Å; F300-I382 PolarHBondContact N-O 2.59Å; F300-I382 VanDerWaalsContact N-O 3.09Å; F300-P384 WeakPolarHBondContact O-CD 3.45Å; F300-P384 WeakPolarHBondContact O-CG 3.28Å; F300-R414 HydrophobicContact CD1-CG 4.3Å; F300-R414 HydrophobicContact CD2-CB 4Å; F300-R414 HydrophobicContact CD2-CG 3.79Å; F300-R414 HydrophobicContact CE1-CG 4.13Å; F300-R414 HydrophobicContact CE2-CB 3.63Å; F300-R414 HydrophobicContact CE2-CG 3.6Å; F300-R414 HydrophobicContact CG-CG 4.14Å; F300-R414 HydrophobicContact CZ-CB 4.16Å; F300-R414 HydrophobicContact CZ-CG 3.78Å; F300-R417 HydrophobicContact CZ-CG 4.24Å
301	L	97.3	Very high	92.8	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	20%	0.204	C	C	.	.			trans	-127.4	-179.8	171.8	-66.2	176.4	0	0	0	110.4	Y276 L277 L299 E306 I307 A310 V364 S365 T366 P384	Y276-L301 HydrophobicContact CE2-CD2 4.31Å; L277-L301 HydrophobicContact CD1-CD1 3.99Å; L277-L301 HydrophobicContact CD1-CD2 4.07Å; L299-L301 HydrophobicContact CD1-CD2 4.32Å; L299-L301 HydrophobicContact CD1-CG 4.41Å; L299-L301 HydrophobicContact CD2-CD1 4.12Å; L299-L301 HydrophobicContact CD2-CG 4.25Å; L299-L301 HydrophobicContact CG-CD1 4.43Å; L299-L301 HydrophobicContact CG-CD2 4.47Å; L299-L301 HydrophobicContact CG-CG 4.07Å; L301-E306 HydrophobicContact CB-CG 4.39Å; L301-E306 HydrophobicContact CD1-CG 4.23Å; L301-I307 HydrophobicContact CB-CG1 3.81Å; L301-I307 HydrophobicContact CD1-CG1 4.23Å; L301-A310 HydrophobicContact CD1-CB 3.53Å; L301-V364 HydrophobicContact CD1-CG1 3.48Å; L301-V364 VanDerWaalsContact CD1-CG1 3.48Å; L301-V364 HydrophobicContact CG-CG1 4.18Å; L301-S365 PolarHBondContact N-O 3.27Å; L301-T366 WeakPolarHBondContact O-CA 3.33Å; L301-P384 HydrophobicContact CD2-CG 4.24Å
302	T	92.8	Very high	92.7	Very high	10 Å²	10	43.9 Å²	43.9	6%	0.061	22%	0.215	C	C	.	.	S	Bend	trans	-97.3	-26.8	-164.8	76.3	0	0	0	0	113.8	E306 F386 K388 V403	T302-E306 VanDerWaalsContact CB-OE2 3.3Å; T302-E306 WeakPolarHBondContact CB-OE2 3.48Å; T302-E306 PolarHBondContact N-OE2 3.49Å; T302-E306 PolarHBondContact OG1-OE2 2.7Å; T302-F386 HydrophobicContact CG2-CB 3.76Å; T302-K388 WeakPolarHBondContact O-CD 3.43Å; T302-K388 WeakPolarHBondContact O-CG 3.42Å; T302-V403 HydrophobicContact CG2-CG1 3.72Å; T302-V403 HydrophobicContact CG2-CG2 4.3Å
303	G	88.5	Confident	93	Very high	8 Å²	8	38.2 Å²	38.2	8%	0.082	19%	0.186	C	C	.	.	S	Bend	trans	-168.9	176.3	-177.3	0	0	0	0	0	115.2	E305 E306 I307	G303-E305 PolarHBondContact O-N 2.88Å; G303-E306 PolarHBondContact O-N 2.95Å; G303-I307 WeakPolarHBondContact O-CB 3.07Å; G303-I307 WeakPolarHBondContact O-CD1 3.18Å; G303-I307 VanDerWaalsContact O-CG1 3.22Å; G303-I307 WeakPolarHBondContact O-CG1 3.44Å; G303-I307 PolarHBondContact O-N 3.33Å
304	Q	87.1	Confident	93.2	Very high	91 Å²	91	33.6 Å²	33.6	43%	0.425	16%	0.163	S	C	.	.	H	α-helix	trans	-55.2	-52.9	-172.3	173.3	175.3	-8.8	0	0	114.1	E306 I307 E308 Y334 T336	Q304-E306 VanDerWaalsContact C-N 3.3Å; Q304-E306 PolarHBondContact O-N 2.98Å; Q304-I307 PolarHBondContact O-N 2.83Å; Q304-E308 HydrophobicContact CG-CG 4.38Å; Q304-E308 WeakPolarHBondContact O-CG 3.45Å; Q304-E308 PolarHBondContact O-N 2.84Å; Q304-Y334 HydrophobicContact CB-CD1 4.24Å; Q304-Y334 HydrophobicContact CB-CD2 4.12Å; Q304-Y334 HydrophobicContact CB-CE1 4.33Å; Q304-Y334 HydrophobicContact CB-CE2 4.22Å; Q304-Y334 HydrophobicContact CB-CG 4.13Å; Q304-Y334 HydrophobicContact CG-CD1 4.28Å; Q304-Y334 HydrophobicContact CG-CD2 4.16Å; Q304-Y334 HydrophobicContact CG-CE1 3.86Å; Q304-Y334 HydrophobicContact CG-CE2 3.74Å; Q304-Y334 HydrophobicContact CG-CG 4.41Å; Q304-T336 PolarHBondContact OE1-OG1 3.28Å
305	E	84.3	Confident	93.3	Very high	168 Å²	168	36 Å²	36	79%	0.785	17%	0.172	S	C	*	.	H	α-helix	trans	-59.8	-42.2	-175.5	-66.1	179.7	171.3	0	0	112.1	G303 D309	G303-E305 PolarHBondContact O-N 2.88Å; E305-D309 WeakPolarHBondContact O-CB 2.95Å; E305-D309 PolarHBondContact O-N 3.1Å
306	E	90.8	Very high	93.3	Very high	27 Å²	27	42.2 Å²	42.2	13%	0.126	19%	0.192	C	C	.	.	H	α-helix	trans	-67.7	-40.9	178.2	-173.2	-177.3	-159	0	0	112.1	Y276 L277 L301 T302 G303 Q304 D309 A310	Y276-E306 WeakPolarHBondContact CE2-OE1 3.46Å; Y276-E306 PolarHBondContact OH-OE1 3.26Å; L277-E306 HydrophobicContact CD1-CG 3.93Å; L277-E306 HydrophobicContact CD2-CG 4.32Å; L301-E306 HydrophobicContact CB-CG 4.39Å; L301-E306 HydrophobicContact CD1-CG 4.23Å; T302-E306 VanDerWaalsContact CB-OE2 3.3Å; T302-E306 WeakPolarHBondContact CB-OE2 3.48Å; T302-E306 PolarHBondContact N-OE2 3.49Å; T302-E306 PolarHBondContact OG1-OE2 2.7Å; G303-E306 PolarHBondContact O-N 2.95Å; Q304-E306 VanDerWaalsContact C-N 3.3Å; Q304-E306 PolarHBondContact O-N 2.98Å; E306-D309 PolarHBondContact O-N 3.43Å; E306-A310 VanDerWaalsContact O-CB 3.3Å; E306-A310 WeakPolarHBondContact O-CB 3.04Å; E306-A310 PolarHBondContact O-N 3.17Å
307	I	93.6	Very high	93.1	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-45.3	176.8	-71.5	168.4	0	0	0	111.1	L301 G303 Q304 A310 C311 P332 Y334 V364 T366	L301-I307 HydrophobicContact CB-CG1 3.81Å; L301-I307 HydrophobicContact CD1-CG1 4.23Å; G303-I307 WeakPolarHBondContact O-CB 3.07Å; G303-I307 WeakPolarHBondContact O-CD1 3.18Å; G303-I307 VanDerWaalsContact O-CG1 3.22Å; G303-I307 WeakPolarHBondContact O-CG1 3.44Å; G303-I307 PolarHBondContact O-N 3.33Å; Q304-I307 PolarHBondContact O-N 2.83Å; I307-A310 PolarHBondContact O-N 2.89Å; I307-C311 WeakPolarHBondContact O-CB 3.27Å; I307-C311 PolarHBondContact O-N 3.31Å; I307-C311 PolarHBondContact O-SG 2.77Å; I307-P332 HydrophobicContact CG2-CB 3.6Å; I307-Y334 HydrophobicContact CB-CD1 4.35Å; I307-Y334 HydrophobicContact CD1-CD1 4.14Å; I307-Y334 HydrophobicContact CG2-CD1 4.04Å; I307-Y334 HydrophobicContact CG2-CE1 4.35Å; I307-V364 HydrophobicContact CB-CG1 4.29Å; I307-V364 HydrophobicContact CG1-CG1 4.12Å; I307-V364 HydrophobicContact CG2-CB 4.14Å; I307-V364 HydrophobicContact CG2-CG1 3.92Å; I307-V364 WeakPolarHBondContact CG2-O 3.3Å; I307-T366 HydrophobicContact CD1-CG2 3.48Å; I307-T366 VanDerWaalsContact CD1-CG2 3.48Å
308	E	90.5	Very high	92.8	Very high	60 Å²	60	46.9 Å²	46.9	28%	0.28	21%	0.214	S	C	.	.	H	α-helix	trans	-65.6	-39.9	179	-72.6	-66.2	160.7	0	0	111.6	Q304 K312 Y334	Q304-E308 HydrophobicContact CG-CG 4.38Å; Q304-E308 WeakPolarHBondContact O-CG 3.45Å; Q304-E308 PolarHBondContact O-N 2.84Å; E308-K312 WeakPolarHBondContact O-CG 3.45Å; E308-K312 PolarHBondContact O-N 3.48Å; E308-K312 VanDerWaalsContact O-N 3.12Å; E308-Y334 HydrophobicContact CG-CE1 4.24Å; E308-Y334 WeakPolarHBondContact OE1-CE1 3.45Å; E308-Y334 PolarHBondContact OE1-OH 3.02Å
309	D	91.3	Very high	92.4	Very high	71 Å²	71	52.1 Å²	52.1	38%	0.38	24%	0.242	S	C	.	.	H	α-helix	trans	-64.4	-47.7	173.7	-171.6	54.1	0	0	0	111.6	E305 E306 C311 K312 R313	E305-D309 WeakPolarHBondContact O-CB 2.95Å; E305-D309 PolarHBondContact O-N 3.1Å; E306-D309 PolarHBondContact O-N 3.43Å; D309-C311 PolarHBondContact O-N 3.45Å; D309-K312 PolarHBondContact O-N 3.42Å; D309-K312 VanDerWaalsContact O-N 3.17Å; D309-R313 WeakPolarHBondContact O-CB 3.38Å; D309-R313 VanDerWaalsContact O-CG 3.26Å; D309-R313 WeakPolarHBondContact O-CG 3.37Å; D309-R313 PolarHBondContact O-N 3.21Å; D309-R313 VanDerWaalsContact OD2-CD 3.26Å; D309-R313 WeakPolarHBondContact OD2-CD 3.41Å
310	A	95.4	Very high	92	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-55.9	-48.1	175.8	0	0	0	0	0	111.9	L277 L301 E306 I307 K312 R313 I314 V364	L277-A310 HydrophobicContact CD1-CB 3.92Å; L301-A310 HydrophobicContact CD1-CB 3.53Å; E306-A310 VanDerWaalsContact O-CB 3.3Å; E306-A310 WeakPolarHBondContact O-CB 3.04Å; E306-A310 PolarHBondContact O-N 3.17Å; I307-A310 PolarHBondContact O-N 2.89Å; A310-K312 VanDerWaalsContact C-N 3.33Å; A310-K312 PolarHBondContact O-N 3.1Å; A310-R313 PolarHBondContact O-N 2.84Å; A310-I314 HydrophobicContact CB-CD1 4.49Å; A310-I314 WeakPolarHBondContact O-CB 3.35Å; A310-I314 WeakPolarHBondContact O-CD1 3.34Å; A310-I314 WeakPolarHBondContact O-CG1 3.49Å; A310-I314 PolarHBondContact O-N 3.41Å; A310-V364 HydrophobicContact CB-CG1 4.27Å
311	C	94.7	Very high	91.5	Very high	14 Å²	14	62 Å²	62	10%	0.095	29%	0.294	C	S	.	.	H	α-helix	trans	-58	-43.5	177.7	-77.7	0	0	0	0	112.2	I307 D309 K315	I307-C311 WeakPolarHBondContact O-CB 3.27Å; I307-C311 PolarHBondContact O-N 3.31Å; I307-C311 PolarHBondContact O-SG 2.77Å; D309-C311 PolarHBondContact O-N 3.45Å; C311-K315 WeakPolarHBondContact O-CB 3.48Å; C311-K315 PolarHBondContact O-N 2.79Å; C311-K315 VanDerWaalsContact O-N 3.1Å
312	K	92.6	Very high	90.7	Very high	95 Å²	95	63.4 Å²	63.4	41%	0.413	31%	0.31	S	S	.	.	H	α-helix	trans	-66.1	-43.9	177.6	-73.4	176	-176.6	-174.3	0	111.9	E308 D309 A310 K315 R316	E308-K312 WeakPolarHBondContact O-CG 3.45Å; E308-K312 PolarHBondContact O-N 3.48Å; E308-K312 VanDerWaalsContact O-N 3.12Å; D309-K312 PolarHBondContact O-N 3.42Å; D309-K312 VanDerWaalsContact O-N 3.17Å; A310-K312 VanDerWaalsContact C-N 3.33Å; A310-K312 PolarHBondContact O-N 3.1Å; K312-K315 PolarHBondContact O-N 2.96Å; K312-R316 WeakPolarHBondContact O-CG 3.47Å; K312-R316 PolarHBondContact O-N 2.93Å
313	R	94.4	Very high	90.2	Very high	58 Å²	58	67.8 Å²	67.8	22%	0.219	34%	0.338	C	S	.	.	H	α-helix	trans	-66.7	-48	-179.3	-68.9	178.7	63.7	-167.9	-4.2	111.6	E278 I281 D309 A310 K315 R316 E317	E278-R313 IonicContact OE1-NH2 3.54Å; E278-R313 IonicContact OE2-CZ 2.59Å; E278-R313 IonicContact OE2-NH1 2.8Å; E278-R313 IonicContact OE2-NH2 3.69Å; E278-R313 PolarHBondContact OE2-NH2 3.45Å; I281-R313 HydrophobicContact CD1-CB 3.87Å; I281-R313 VanDerWaalsContact CD1-CZ 3.49Å; D309-R313 WeakPolarHBondContact O-CB 3.38Å; D309-R313 VanDerWaalsContact O-CG 3.26Å; D309-R313 WeakPolarHBondContact O-CG 3.37Å; D309-R313 PolarHBondContact O-N 3.21Å; D309-R313 VanDerWaalsContact OD2-CD 3.26Å; D309-R313 WeakPolarHBondContact OD2-CD 3.41Å; A310-R313 PolarHBondContact O-N 2.84Å; R313-K315 VanDerWaalsContact C-N 3.29Å; R313-K315 PolarHBondContact O-N 3.05Å; R313-R316 PolarHBondContact O-N 2.85Å; R313-E317 WeakPolarHBondContact O-CG 3.19Å; R313-E317 PolarHBondContact O-N 3.46Å
314	I	95.2	Very high	90	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-56.2	-45.9	175.1	-67.3	162.3	0	0	0	110.3	I281 V284 L299 A310 R316 E317 I318 L328 C330 V364	I281-I314 HydrophobicContact CB-CG1 4.4Å; I281-I314 HydrophobicContact CG1-CD1 4.47Å; I281-I314 HydrophobicContact CG1-CG1 4.06Å; I281-I314 HydrophobicContact CG2-CG1 3.97Å; V284-I314 HydrophobicContact CB-CD1 4.43Å; V284-I314 HydrophobicContact CG1-CD1 4.22Å; V284-I314 HydrophobicContact CG1-CG1 4.45Å; V284-I314 HydrophobicContact CG1-CG2 4.02Å; V284-I314 HydrophobicContact CG2-CD1 4.18Å; L299-I314 HydrophobicContact CD2-CD1 4.48Å; A310-I314 HydrophobicContact CB-CD1 4.49Å; A310-I314 WeakPolarHBondContact O-CB 3.35Å; A310-I314 WeakPolarHBondContact O-CD1 3.34Å; A310-I314 WeakPolarHBondContact O-CG1 3.49Å; A310-I314 PolarHBondContact O-N 3.41Å; I314-R316 PolarHBondContact O-N 3.46Å; I314-E317 PolarHBondContact O-N 3.03Å; I314-I318 HydrophobicContact CG2-CD1 3.68Å; I314-I318 HydrophobicContact CG2-CG1 4.46Å; I314-I318 VanDerWaalsContact O-CG1 3.28Å; I314-I318 WeakPolarHBondContact O-CG1 3.48Å; I314-I318 PolarHBondContact O-N 3.43Å; I314-L328 HydrophobicContact CG2-CD2 3.71Å; I314-C330 WeakPolarHBondContact CG2-SG 3.22Å; I314-V364 HydrophobicContact CD1-CG2 4.27Å
315	K	92.9	Very high	90.1	Very high	130 Å²	130	70.3 Å²	70.3	57%	0.565	35%	0.353	S	S	*	.	H	α-helix	trans	-60.6	-47.1	178.4	-171.6	179.3	178.3	-177.3	0	112.2	C311 K312 R313 E317 I318 D319	C311-K315 WeakPolarHBondContact O-CB 3.48Å; C311-K315 PolarHBondContact O-N 2.79Å; C311-K315 VanDerWaalsContact O-N 3.1Å; K312-K315 PolarHBondContact O-N 2.96Å; R313-K315 VanDerWaalsContact C-N 3.29Å; R313-K315 PolarHBondContact O-N 3.05Å; K315-E317 PolarHBondContact O-N 2.83Å; K315-I318 PolarHBondContact O-N 2.83Å; K315-D319 WeakPolarHBondContact O-CB 3.39Å; K315-D319 VanDerWaalsContact O-CG 3.22Å; K315-D319 PolarHBondContact O-N 2.71Å
316	R	92.4	Very high	90.3	Very high	140 Å²	140	62.5 Å²	62.5	53%	0.528	32%	0.317	S	S	.	.	H	α-helix	trans	-59.8	-45.4	177.9	-73.9	174.7	-175.6	171.2	1.6	112.3	K312 R313 I314 I318 D319 N320 E551	K312-R316 WeakPolarHBondContact O-CG 3.47Å; K312-R316 PolarHBondContact O-N 2.93Å; R313-R316 PolarHBondContact O-N 2.85Å; I314-R316 PolarHBondContact O-N 3.46Å; R316-I318 VanDerWaalsContact C-N 3.32Å; R316-I318 PolarHBondContact O-N 3.33Å; R316-D319 PolarHBondContact O-N 3.12Å; R316-N320 PolarHBondContact O-N 3.46Å; R316-N320 PolarHBondContact O-ND2 3.12Å; R316-E551 IonicContact NH2-OE1 2.71Å
317	E	92.4	Very high	90.4	Very high	88 Å²	88	65.9 Å²	65.9	41%	0.411	33%	0.333	S	S	.	.	H	α-helix	trans	-63.8	-38.7	178.9	-67.1	-61.8	159.4	0	0	111.7	L285 R313 I314 K315 N320 L321	L285-E317 HydrophobicContact CD1-CB 3.69Å; L285-E317 HydrophobicContact CD1-CG 4Å; L285-E317 HydrophobicContact CD2-CB 3.94Å; L285-E317 HydrophobicContact CG-CB 4.45Å; R313-E317 WeakPolarHBondContact O-CG 3.19Å; R313-E317 PolarHBondContact O-N 3.46Å; I314-E317 PolarHBondContact O-N 3.03Å; K315-E317 PolarHBondContact O-N 2.83Å; E317-N320 WeakPolarHBondContact O-CB 3.37Å; E317-N320 PolarHBondContact O-N 3.21Å; E317-L321 WeakPolarHBondContact O-CG 3.28Å; E317-L321 PolarHBondContact O-N 2.86Å
318	I	90.3	Very high	90.4	Very high	19 Å²	19	66.9 Å²	66.9	10%	0.097	34%	0.338	C	S	.	.	H	α-helix	trans	-71	-40.3	179	-68.9	174.6	0	0	0	112.1	L285 I314 K315 R316 N320 L321 L328	L285-I318 HydrophobicContact CD2-CD1 4.05Å; L285-I318 HydrophobicContact CD2-CG1 3.5Å; I314-I318 HydrophobicContact CG2-CD1 3.68Å; I314-I318 HydrophobicContact CG2-CG1 4.46Å; I314-I318 VanDerWaalsContact O-CG1 3.28Å; I314-I318 WeakPolarHBondContact O-CG1 3.48Å; I314-I318 PolarHBondContact O-N 3.43Å; K315-I318 PolarHBondContact O-N 2.83Å; R316-I318 VanDerWaalsContact C-N 3.32Å; R316-I318 PolarHBondContact O-N 3.33Å; I318-N320 PolarHBondContact O-N 3.19Å; I318-L321 PolarHBondContact O-N 3.05Å; I318-L321 VanDerWaalsContact O-N 3.15Å; I318-L328 HydrophobicContact CD1-CB 3.39Å; I318-L328 HydrophobicContact CD1-CD2 3.09Å; I318-L328 HydrophobicContact CD1-CG 3.8Å
319	D	88.3	Confident	90.6	Very high	112 Å²	112	67.3 Å²	67.3	60%	0.599	34%	0.337	S	S	*	.	H	α-helix	trans	-61	-28.6	174.7	-68	-21.3	0	0	0	111.1	K315 R316	K315-D319 WeakPolarHBondContact O-CB 3.39Å; K315-D319 VanDerWaalsContact O-CG 3.22Å; K315-D319 PolarHBondContact O-N 2.71Å; R316-D319 PolarHBondContact O-N 3.12Å
320	N	89.8	Confident	90.7	Very high	126 Å²	126	65.3 Å²	65.3	67%	0.674	33%	0.328	S	S	*	.	H	α-helix	trans	-78.5	-20.6	177.1	-69.1	-22.9	0	0	0	114.6	R316 E317 I318 G322	R316-N320 PolarHBondContact O-N 3.46Å; R316-N320 PolarHBondContact O-ND2 3.12Å; E317-N320 WeakPolarHBondContact O-CB 3.37Å; E317-N320 PolarHBondContact O-N 3.21Å; I318-N320 PolarHBondContact O-N 3.19Å; N320-G322 PolarHBondContact O-N 3.18Å
321	L	86.3	Confident	90.7	Very high	82 Å²	82	65.3 Å²	65.3	43%	0.429	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-4.3	-175.9	-69.2	166.5	0	0	0	114.1	L285 V289 E317 I318 I325	L285-L321 HydrophobicContact CD2-CD1 4.47Å; V289-L321 HydrophobicContact CG2-CD1 4.13Å; E317-L321 WeakPolarHBondContact O-CG 3.28Å; E317-L321 PolarHBondContact O-N 2.86Å; I318-L321 PolarHBondContact O-N 3.05Å; I318-L321 VanDerWaalsContact O-N 3.15Å; L321-I325 HydrophobicContact CB-CD1 3.39Å; L321-I325 HydrophobicContact CB-CG1 4.17Å; L321-I325 HydrophobicContact CD1-CD1 3.72Å; L321-I325 HydrophobicContact CD2-CD1 4.32Å; L321-I325 HydrophobicContact CG-CD1 3.99Å
322	G	81.6	Confident	90.7	Very high	33 Å²	33	65.9 Å²	65.9	34%	0.34	33%	0.332	S	S	.	.			trans	88.9	178.5	174.3	0	0	0	0	0	115.1	N320 D324	N320-G322 PolarHBondContact O-N 3.18Å; G322-D324 VanDerWaalsContact C-N 3.29Å; G322-D324 PolarHBondContact O-N 3.37Å
323	P	82.3	Confident	90.6	Very high	101 Å²	101	61.4 Å²	61.4	66%	0.656	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-17.9	-169.3	29.5	-35.5	0	0	0	114.2	I325 K353	P323-I325 VanDerWaalsContact C-N 3.27Å; P323-I325 PolarHBondContact O-N 3.24Å; P323-K353 PolarHBondContact O-NZ 3.5Å
324	D	84	Confident	90.3	Very high	122 Å²	122	59.7 Å²	59.7	65%	0.652	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-21.6	-174.3	-67.6	-36.5	0	0	0	113.4	G322 N355 A357	G322-D324 VanDerWaalsContact C-N 3.29Å; G322-D324 PolarHBondContact O-N 3.37Å; D324-N355 WeakPolarHBondContact CA-ND2 3.34Å; D324-N355 PolarHBondContact O-ND2 3.04Å; D324-A357 WeakPolarHBondContact O-CB 3.39Å
325	I	89.3	Confident	89.5	Confident	31 Å²	31	64.1 Å²	64.1	16%	0.159	34%	0.338	C	S	.	.	S	Bend	trans	-86.2	142.4	-178.2	-54.2	-159.5	0	0	0	110.6	H288 V289 L321 P323 K353	H288-I325 WeakPolarHBondContact NE2-CG2 3.34Å; V289-I325 HydrophobicContact CG2-CD1 3.75Å; L321-I325 HydrophobicContact CB-CD1 3.39Å; L321-I325 HydrophobicContact CB-CG1 4.17Å; L321-I325 HydrophobicContact CD1-CD1 3.72Å; L321-I325 HydrophobicContact CD2-CD1 4.32Å; L321-I325 HydrophobicContact CG-CD1 3.99Å; P323-I325 VanDerWaalsContact C-N 3.27Å; P323-I325 PolarHBondContact O-N 3.24Å; I325-K353 WeakPolarHBondContact O-CD 3.42Å; I325-K353 VanDerWaalsContact O-CE 3.32Å; I325-K353 WeakPolarHBondContact O-CE 3.35Å; I325-K353 PolarHBondContact O-NZ 3.32Å
326	G	89.4	Confident	88.6	Confident	4 Å²	4	60.4 Å²	60.4	4%	0.041	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-61.2	157.6	178.7	0	0	0	0	0	112.6	H288 L328 I358	H288-G326 PolarHBondContact CE1-O 2.98Å; H288-G326 PolarHBondContact NE2-O 3.26Å; G326-L328 PolarHBondContact O-N 2.95Å; G326-I358 WeakPolarHBondContact CA-O 3.27Å
327	E	92	Very high	88	Confident	98 Å²	98	54.1 Å²	54.1	46%	0.458	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-67.3	129.1	176.2	-173.8	-173.8	148.6	0	0	110.3	P350 G359 R360	E327-P350 HydrophobicContact CB-CB 3.94Å; E327-P350 HydrophobicContact CB-CG 4.3Å; E327-P350 HydrophobicContact CG-CB 4.12Å; E327-P350 HydrophobicContact CG-CG 4.09Å; E327-G359 WeakPolarHBondContact O-CA 3.17Å; E327-R360 PolarHBondContact O-N 3.48Å
328	L	93.7	Very high	87	Confident	20 Å²	20	51.3 Å²	51.3	11%	0.105	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.2	169.1	-170.3	71.5	0	0	0	110.5	V284 I297 I314 I318 G326 C330 R360 C362	V284-L328 HydrophobicContact CG1-CD2 3.88Å; I297-L328 HydrophobicContact CD1-CD1 4.5Å; I314-L328 HydrophobicContact CG2-CD2 3.71Å; I318-L328 HydrophobicContact CD1-CB 3.39Å; I318-L328 HydrophobicContact CD1-CD2 3.09Å; I318-L328 HydrophobicContact CD1-CG 3.8Å; G326-L328 PolarHBondContact O-N 2.95Å; L328-C330 PolarHBondContact O-N 3.25Å; L328-R360 WeakPolarHBondContact CA-O 3.38Å; L328-R360 HydrophobicContact CD1-CB 3.53Å; L328-C362 HydrophobicContact CD1-CB 3.93Å; L328-C362 HydrophobicContact CD2-CB 3.9Å; L328-C362 HydrophobicContact CG-CB 4.04Å
329	R	94.2	Very high	86.1	Confident	69 Å²	69	52.4 Å²	52.4	26%	0.26	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	106.8	173.2	-173.8	179	-62.4	169.4	12.1	110.5	I331 E347 P350 R360 K361 C362	R329-I331 HydrophobicContact CG-CD1 4.33Å; R329-I331 HydrophobicContact CG-CG1 4.06Å; R329-E347 IonicContact NH1-OE2 3.52Å; R329-E347 PolarHBondContact NH1-OE2 2.84Å; R329-P350 HydrophobicContact CB-CG 3.76Å; R329-R360 PolarHBondContact N-O 3.2Å; R329-K361 CarbonylContact O-C 3.58Å; R329-K361 WeakPolarHBondContact O-CA 3.04Å; R329-C362 PolarHBondContact O-N 3.19Å
330	C	94.6	Very high	85.6	Confident	29 Å²	29	52.1 Å²	52.1	20%	0.196	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	127.3	173.9	-63.6	0	0	0	0	111.2	I314 L328 C362	I314-C330 WeakPolarHBondContact CG2-SG 3.22Å; L328-C330 PolarHBondContact O-N 3.25Å; C330-C362 CarbonylContact C-O 3.51Å; C330-C362 WeakPolarHBondContact CA-O 3.4Å
331	I	94.9	Very high	85.2	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.1	-179.6	-52.2	-174.7	0	0	0	109.4	R329 R344 I345 K361 C362 V363 V364	R329-I331 HydrophobicContact CG-CD1 4.33Å; R329-I331 HydrophobicContact CG-CG1 4.06Å; I331-R344 HydrophobicContact CD1-CB 4.45Å; I331-R344 VanDerWaalsContact CD1-O 3.29Å; I331-R344 WeakPolarHBondContact CD1-O 3.35Å; I331-R344 HydrophobicContact CG2-CB 4.13Å; I331-I345 HydrophobicContact CG2-CG2 3.95Å; I331-K361 HydrophobicContact CD1-CD 3.71Å; I331-K361 HydrophobicContact CD1-CG 3.86Å; I331-K361 HydrophobicContact CG1-CG 4.3Å; I331-C362 PolarHBondContact N-O 2.94Å; I331-V363 WeakPolarHBondContact O-CA 3.33Å; I331-V364 PolarHBondContact O-N 3.1Å
332	P	94	Very high	85	Confident	26 Å²	26	46 Å²	46	17%	0.169	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	143.5	176.3	30.1	-33.5	0	0	0	111.5	I307 Y334 L337 V364	I307-P332 HydrophobicContact CG2-CB 3.6Å; P332-Y334 HydrophobicContact CB-CD1 4.4Å; P332-Y334 HydrophobicContact CB-CE1 4Å; P332-L337 HydrophobicContact CB-CD1 4.24Å; P332-L337 HydrophobicContact CG-CD1 4.04Å; P332-L337 WeakPolarHBondContact O-CD1 3.32Å; P332-V364 CarbonylContact C-O 3.45Å; P332-V364 WeakPolarHBondContact CA-O 3.48Å
333	L	91.4	Very high	84.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	106.5	176.8	-179.5	65.4	0	0	0	112.3	Q342 I345 V363 V364 S365 T366 I368 A369 L373	L333-Q342 HydrophobicContact CD1-CB 4.04Å; L333-Q342 HydrophobicContact CD1-CG 3.86Å; L333-I345 HydrophobicContact CB-CG2 4.21Å; L333-I345 HydrophobicContact CD1-CD1 4.3Å; L333-I345 HydrophobicContact CD1-CG2 4.18Å; L333-I345 HydrophobicContact CD2-CD1 3.8Å; L333-I345 HydrophobicContact CD2-CG2 4.12Å; L333-I345 HydrophobicContact CG-CG2 4.37Å; L333-V363 HydrophobicContact CB-CG1 4.08Å; L333-V363 HydrophobicContact CD2-CG1 4.35Å; L333-V364 PolarHBondContact N-O 3.07Å; L333-S365 VanDerWaalsContact CD2-OG 3.28Å; L333-S365 WeakPolarHBondContact CD2-OG 3.34Å; L333-S365 WeakPolarHBondContact CG-OG 3.17Å; L333-S365 CarbonylContact O-C 3.53Å; L333-S365 WeakPolarHBondContact O-CA 3.39Å; L333-S365 PolarHBondContact O-OG 3.38Å; L333-T366 PolarHBondContact O-N 3.49Å; L333-I368 HydrophobicContact CD1-CG2 4.45Å; L333-I368 HydrophobicContact CD2-CG2 3.86Å; L333-I368 HydrophobicContact CG-CG2 3.63Å; L333-A369 HydrophobicContact CD2-CB 4.19Å; L333-L373 HydrophobicContact CD2-CD1 4.38Å
334	Y	87.1	Confident	85.1	Confident	22 Å²	22	49 Å²	49	9%	0.086	26%	0.258	C	S	.	.			trans	-144.8	164.9	175.9	49.9	-102.8	0	0	0	111.3	Q304 I307 E308 P332 T336 L337 Q342	Q304-Y334 HydrophobicContact CB-CD1 4.24Å; Q304-Y334 HydrophobicContact CB-CD2 4.12Å; Q304-Y334 HydrophobicContact CB-CE1 4.33Å; Q304-Y334 HydrophobicContact CB-CE2 4.22Å; Q304-Y334 HydrophobicContact CB-CG 4.13Å; Q304-Y334 HydrophobicContact CG-CD1 4.28Å; Q304-Y334 HydrophobicContact CG-CD2 4.16Å; Q304-Y334 HydrophobicContact CG-CE1 3.86Å; Q304-Y334 HydrophobicContact CG-CE2 3.74Å; Q304-Y334 HydrophobicContact CG-CG 4.41Å; I307-Y334 HydrophobicContact CB-CD1 4.35Å; I307-Y334 HydrophobicContact CD1-CD1 4.14Å; I307-Y334 HydrophobicContact CG2-CD1 4.04Å; I307-Y334 HydrophobicContact CG2-CE1 4.35Å; E308-Y334 HydrophobicContact CG-CE1 4.24Å; E308-Y334 WeakPolarHBondContact OE1-CE1 3.45Å; E308-Y334 PolarHBondContact OE1-OH 3.02Å; P332-Y334 HydrophobicContact CB-CD1 4.4Å; P332-Y334 HydrophobicContact CB-CE1 4Å; Y334-T336 VanDerWaalsContact C-N 3.34Å; Y334-T336 WeakPolarHBondContact CD2-OG1 3.33Å; Y334-T336 WeakPolarHBondContact CE2-OG1 3.32Å; Y334-T336 PolarHBondContact O-N 2.94Å; Y334-L337 HydrophobicContact CD1-CD1 4.19Å; Y334-L337 HydrophobicContact CD2-CB 3.85Å; Y334-L337 HydrophobicContact CD2-CD1 4.39Å; Y334-L337 HydrophobicContact CE1-CD1 3.72Å; Y334-L337 HydrophobicContact CE2-CB 3.76Å; Y334-L337 HydrophobicContact CE2-CD1 3.94Å; Y334-L337 HydrophobicContact CE2-CG 4.32Å; Y334-L337 HydrophobicContact CG-CB 4.47Å; Y334-L337 WeakPolarHBondContact O-CB 3.39Å; Y334-L337 PolarHBondContact O-N 2.85Å; Y334-L337 VanDerWaalsContact O-N 3.11Å; Y334-Q342 PolarHBondContact O-NE2 3.13Å
335	S	78.5	Confident	85.4	Confident	94 Å²	94	43.3 Å²	43.3	66%	0.657	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-32.3	-168.2	57.9	0	0	0	0	115	L337	S335-L337 VanDerWaalsContact C-N 3.29Å; S335-L337 PolarHBondContact O-N 3.46Å
336	T	74.9	Confident	85.2	Confident	51 Å²	51	46 Å²	46	31%	0.313	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-10	178.9	53.9	0	0	0	0	113.3	Q304 Y334 P543 R598	Q304-T336 PolarHBondContact OE1-OG1 3.28Å; Y334-T336 VanDerWaalsContact C-N 3.34Å; Y334-T336 WeakPolarHBondContact CD2-OG1 3.33Å; Y334-T336 WeakPolarHBondContact CE2-OG1 3.32Å; Y334-T336 PolarHBondContact O-N 2.94Å; T336-P543 HydrophobicContact CG2-CB 4.38Å; T336-P543 HydrophobicContact CG2-CG 3.95Å; T336-R598 PolarHBondContact O-NH1 2.79Å
337	L	78.8	Confident	85.2	Confident	8 Å²	8	48.7 Å²	48.7	4%	0.042	25%	0.25	C	C	.	.	S	Bend	trans	-67.3	143.6	-178.5	-158	129.2	0	0	0	111.1	P332 Y334 S335 L341 Q342 R598	P332-L337 HydrophobicContact CB-CD1 4.24Å; P332-L337 HydrophobicContact CG-CD1 4.04Å; P332-L337 WeakPolarHBondContact O-CD1 3.32Å; Y334-L337 HydrophobicContact CD1-CD1 4.19Å; Y334-L337 HydrophobicContact CD2-CB 3.85Å; Y334-L337 HydrophobicContact CD2-CD1 4.39Å; Y334-L337 HydrophobicContact CE1-CD1 3.72Å; Y334-L337 HydrophobicContact CE2-CB 3.76Å; Y334-L337 HydrophobicContact CE2-CD1 3.94Å; Y334-L337 HydrophobicContact CE2-CG 4.32Å; Y334-L337 HydrophobicContact CG-CB 4.47Å; Y334-L337 WeakPolarHBondContact O-CB 3.39Å; Y334-L337 PolarHBondContact O-N 2.85Å; Y334-L337 VanDerWaalsContact O-N 3.11Å; S335-L337 VanDerWaalsContact C-N 3.29Å; S335-L337 PolarHBondContact O-N 3.46Å; L337-L341 HydrophobicContact CD2-CB 3.28Å; L337-L341 HydrophobicContact CG-CB 4.02Å; L337-Q342 HydrophobicContact CB-CG 3.93Å; L337-Q342 HydrophobicContact CD2-CB 4.13Å; L337-Q342 HydrophobicContact CD2-CG 3.44Å; L337-Q342 VanDerWaalsContact CD2-CG 3.44Å; L337-Q342 HydrophobicContact CG-CG 4.33Å; L337-Q342 PolarHBondContact O-NE2 3.06Å; L337-R598 VanDerWaalsContact C-NH1 3.27Å; L337-R598 PolarHBondContact O-NH1 2.98Å
338	P	71.4	Confident	85.1	Confident	29 Å²	29	49 Å²	49	19%	0.188	26%	0.26	C	S	.	.			trans	-59.3	141	177.1	-26.6	33.4	0	0	0	115	N340 L341 Q342 R598	P338-N340 WeakPolarHBondContact CB-OD1 3.26Å; P338-N340 PolarHBondContact O-N 3.45Å; P338-L341 HydrophobicContact CB-CB 4.24Å; P338-L341 HydrophobicContact CB-CD1 4.42Å; P338-L341 HydrophobicContact CB-CG 4.21Å; P338-L341 HydrophobicContact CG-CD1 3.94Å; P338-L341 HydrophobicContact CG-CG 4.28Å; P338-L341 CarbonylContact O-C 3.55Å; P338-L341 WeakPolarHBondContact O-CA 3.35Å; P338-L341 PolarHBondContact O-N 3.46Å; P338-Q342 WeakPolarHBondContact O-CG 3.48Å; P338-Q342 PolarHBondContact O-N 3.32Å; P338-R598 VanDerWaalsContact CD-NH1 3.29Å; P338-R598 VanDerWaalsContact CG-NH1 3.31Å
339	P	72.5	Confident	85	Confident	42 Å²	42	50.5 Å²	50.5	27%	0.273	27%	0.273	S	S	.	.	H	α-helix	trans	-51	-41.8	178.3	-30.1	32.5	0	0	0	113.7	M144 L341 Q342 Q343	M144-P339 HydrophobicContact CE-CB 4.14Å; M144-P339 HydrophobicContact CE-CG 3.96Å; M144-P339 HydrophobicContact SD-CG 4.39Å; P339-L341 PolarHBondContact O-N 2.7Å; P339-Q342 PolarHBondContact O-N 3.42Å; P339-Q343 VanDerWaalsContact O-CG 3.3Å; P339-Q343 WeakPolarHBondContact O-CG 3.48Å; P339-Q343 PolarHBondContact O-N 3.44Å
340	N	76.5	Confident	85	Confident	106 Å²	106	47.3 Å²	47.3	57%	0.567	26%	0.261	S	S	*	.	H	α-helix	trans	-64.1	-37.7	175.6	62.5	-40.2	0	0	0	112.6	P338	P338-N340 WeakPolarHBondContact CB-OD1 3.26Å; P338-N340 PolarHBondContact O-N 3.45Å
341	L	81.2	Confident	84.8	Confident	70 Å²	70	50.9 Å²	50.9	37%	0.366	28%	0.284	S	S	.	.	H	α-helix	trans	-74.4	-31.8	174.5	-67.2	-174.7	0	0	0	111.9	L337 P338 P339 Q343 R344	L337-L341 HydrophobicContact CD2-CB 3.28Å; L337-L341 HydrophobicContact CG-CB 4.02Å; P338-L341 HydrophobicContact CB-CB 4.24Å; P338-L341 HydrophobicContact CB-CD1 4.42Å; P338-L341 HydrophobicContact CB-CG 4.21Å; P338-L341 HydrophobicContact CG-CD1 3.94Å; P338-L341 HydrophobicContact CG-CG 4.28Å; P338-L341 CarbonylContact O-C 3.55Å; P338-L341 WeakPolarHBondContact O-CA 3.35Å; P338-L341 PolarHBondContact O-N 3.46Å; P339-L341 PolarHBondContact O-N 2.7Å; L341-Q343 VanDerWaalsContact C-N 3.31Å; L341-R344 VanDerWaalsContact O-CB 3.26Å; L341-R344 WeakPolarHBondContact O-CB 3.44Å; L341-R344 WeakPolarHBondContact O-CG 3.22Å; L341-R344 PolarHBondContact O-N 3.37Å
342	Q	82	Confident	84.6	Confident	10 Å²	10	57.1 Å²	57.1	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-68.3	-35.1	175.5	-69.9	175.8	-12.9	0	0	110.5	V141 L333 Y334 L337 P338 P339 R344 I345	V141-Q342 HydrophobicContact CG1-CB 4.49Å; L333-Q342 HydrophobicContact CD1-CB 4.04Å; L333-Q342 HydrophobicContact CD1-CG 3.86Å; Y334-Q342 PolarHBondContact O-NE2 3.13Å; L337-Q342 HydrophobicContact CB-CG 3.93Å; L337-Q342 HydrophobicContact CD2-CB 4.13Å; L337-Q342 HydrophobicContact CD2-CG 3.44Å; L337-Q342 VanDerWaalsContact CD2-CG 3.44Å; L337-Q342 HydrophobicContact CG-CG 4.33Å; L337-Q342 PolarHBondContact O-NE2 3.06Å; P338-Q342 WeakPolarHBondContact O-CG 3.48Å; P338-Q342 PolarHBondContact O-N 3.32Å; P339-Q342 PolarHBondContact O-N 3.42Å; Q342-R344 PolarHBondContact O-N 3.4Å; Q342-I345 WeakPolarHBondContact O-CD1 3.41Å; Q342-I345 WeakPolarHBondContact O-CG1 3.3Å; Q342-I345 WeakPolarHBondContact O-CG2 3.48Å; Q342-I345 PolarHBondContact O-N 3.17Å
343	Q	80.9	Confident	84.3	Confident	107 Å²	107	59.1 Å²	59.1	50%	0.5	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-62.8	-20.7	174.9	-76.7	173.3	-6	0	0	113.3	P339 L341 I345 F346	P339-Q343 VanDerWaalsContact O-CG 3.3Å; P339-Q343 WeakPolarHBondContact O-CG 3.48Å; P339-Q343 PolarHBondContact O-N 3.44Å; L341-Q343 VanDerWaalsContact C-N 3.31Å; Q343-I345 PolarHBondContact O-N 3.07Å; Q343-I345 VanDerWaalsContact O-N 3.11Å; Q343-F346 WeakPolarHBondContact O-CB 3.3Å; Q343-F346 WeakPolarHBondContact O-CD2 3.2Å; Q343-F346 PolarHBondContact O-N 2.86Å
344	R	86.8	Confident	84.1	Confident	90 Å²	90	66 Å²	66	34%	0.34	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-60.6	-22.1	177.4	-61.5	-174.2	60.8	-152.6	-7.5	113.3	I331 L341 Q342 F346 E347	I331-R344 HydrophobicContact CD1-CB 4.45Å; I331-R344 VanDerWaalsContact CD1-O 3.29Å; I331-R344 WeakPolarHBondContact CD1-O 3.35Å; I331-R344 HydrophobicContact CG2-CB 4.13Å; L341-R344 VanDerWaalsContact O-CB 3.26Å; L341-R344 WeakPolarHBondContact O-CB 3.44Å; L341-R344 WeakPolarHBondContact O-CG 3.22Å; L341-R344 PolarHBondContact O-N 3.37Å; Q342-R344 PolarHBondContact O-N 3.4Å; R344-F346 PolarHBondContact O-N 2.84Å; R344-F346 VanDerWaalsContact O-N 3.16Å; R344-E347 HydrophobicContact CB-CG 4.49Å; R344-E347 WeakPolarHBondContact CB-OE1 3.38Å; R344-E347 VanDerWaalsContact CG-OE1 3.23Å; R344-E347 WeakPolarHBondContact CG-OE1 3.33Å; R344-E347 IonicContact NE-OE1 3.36Å; R344-E347 PolarHBondContact NE-OE1 3.1Å; R344-E347 VanDerWaalsContact O-CB 3.27Å; R344-E347 WeakPolarHBondContact O-CB 3.23Å; R344-E347 WeakPolarHBondContact O-CG 3.4Å; R344-E347 PolarHBondContact O-N 3.34Å
345	I	88.8	Confident	84.1	Confident	2 Å²	2	69 Å²	69	1%	0.01	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-61.2	-23	174.9	72.8	-170.5	0	0	0	112.5	I331 L333 Q342 Q343 K361 V363 L373 I375	I331-I345 HydrophobicContact CG2-CG2 3.95Å; L333-I345 HydrophobicContact CB-CG2 4.21Å; L333-I345 HydrophobicContact CD1-CD1 4.3Å; L333-I345 HydrophobicContact CD1-CG2 4.18Å; L333-I345 HydrophobicContact CD2-CD1 3.8Å; L333-I345 HydrophobicContact CD2-CG2 4.12Å; L333-I345 HydrophobicContact CG-CG2 4.37Å; Q342-I345 WeakPolarHBondContact O-CD1 3.41Å; Q342-I345 WeakPolarHBondContact O-CG1 3.3Å; Q342-I345 WeakPolarHBondContact O-CG2 3.48Å; Q342-I345 PolarHBondContact O-N 3.17Å; Q343-I345 PolarHBondContact O-N 3.07Å; Q343-I345 VanDerWaalsContact O-N 3.11Å; I345-K361 PolarHBondContact O-NZ 2.98Å; I345-V363 HydrophobicContact CB-CG2 4.38Å; I345-V363 HydrophobicContact CG2-CG1 3.91Å; I345-V363 HydrophobicContact CG2-CG2 4.43Å; I345-L373 HydrophobicContact CD1-CD1 4.44Å; I345-I375 HydrophobicContact CB-CD1 4.32Å; I345-I375 HydrophobicContact CB-CG1 4.5Å; I345-I375 HydrophobicContact CD1-CD1 4.16Å; I345-I375 HydrophobicContact CD1-CG1 4.06Å; I345-I375 HydrophobicContact CG1-CD1 4.48Å; I345-I375 HydrophobicContact CG1-CG1 4.26Å
346	F	86.1	Confident	84.5	Confident	88 Å²	88	66.4 Å²	66.4	39%	0.386	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-89.1	-2.3	177.2	-54.6	-67.4	0	0	0	113.3	Q343 R344 L373 T374	Q343-F346 WeakPolarHBondContact O-CB 3.3Å; Q343-F346 WeakPolarHBondContact O-CD2 3.2Å; Q343-F346 PolarHBondContact O-N 2.86Å; R344-F346 PolarHBondContact O-N 2.84Å; R344-F346 VanDerWaalsContact O-N 3.16Å; F346-L373 HydrophobicContact CZ-CD2 4.46Å; F346-T374 WeakPolarHBondContact CE1-O 3.29Å
347	E	89.2	Confident	85.2	Confident	60 Å²	60	65 Å²	65	28%	0.28	36%	0.357	S	S	.	.	S	Bend	trans	-61.8	146.6	170.9	-70.2	171.7	-160.2	0	0	110.5	R329 R344 K361	R329-E347 IonicContact NH1-OE2 3.52Å; R329-E347 PolarHBondContact NH1-OE2 2.84Å; R344-E347 HydrophobicContact CB-CG 4.49Å; R344-E347 WeakPolarHBondContact CB-OE1 3.38Å; R344-E347 VanDerWaalsContact CG-OE1 3.23Å; R344-E347 WeakPolarHBondContact CG-OE1 3.33Å; R344-E347 IonicContact NE-OE1 3.36Å; R344-E347 PolarHBondContact NE-OE1 3.1Å; R344-E347 VanDerWaalsContact O-CB 3.27Å; R344-E347 WeakPolarHBondContact O-CB 3.23Å; R344-E347 WeakPolarHBondContact O-CG 3.4Å; R344-E347 PolarHBondContact O-N 3.34Å; E347-K361 PolarHBondContact O-NZ 2.99Å
348	P	90.6	Very high	85.8	Confident	104 Å²	104	65.7 Å²	65.7	68%	0.675	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-64.3	154.1	173.7	28.5	-34.7	0	0	0	111.1
349	S	91.6	Very high	86.8	Confident	53 Å²	53	64.6 Å²	64.6	37%	0.371	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-62.5	155.1	172.7	60	0	0	0	0	111.3	D296	D296-S349 WeakPolarHBondContact OD1-CB 3.4Å
350	P	92.4	Very high	87.9	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.013	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-55.2	145.3	170.4	-22.9	33.8	0	0	0	111.5	E327 R329 G359 R360	E327-P350 HydrophobicContact CB-CB 3.94Å; E327-P350 HydrophobicContact CB-CG 4.3Å; E327-P350 HydrophobicContact CG-CB 4.12Å; E327-P350 HydrophobicContact CG-CG 4.09Å; R329-P350 HydrophobicContact CB-CG 3.76Å; P350-G359 CarbonylContact O-C 3.54Å; P350-G359 WeakPolarHBondContact O-CA 3.21Å; P350-R360 VanDerWaalsContact CD-O 3.3Å; P350-R360 WeakPolarHBondContact CD-O 3.15Å
351	P	91	Very high	88.8	Confident	103 Å²	103	57.8 Å²	57.8	67%	0.669	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-66.3	162	175.7	30.1	-35	0	0	0	111
352	R	90.6	Very high	89.6	Confident	132 Å²	132	54.4 Å²	54.4	50%	0.498	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-60.6	143.4	171.1	-65.7	-168.1	179.3	-148.2	4.9	110.8	E294 A357	E294-R352 IonicContact OE1-CZ 2.96Å; E294-R352 IonicContact OE1-NE 3.67Å; E294-R352 PolarHBondContact OE1-NE 3.02Å; E294-R352 IonicContact OE1-NH2 3.83Å; E294-R352 PolarHBondContact OE1-NH2 3.11Å; R352-A357 WeakPolarHBondContact CA-O 3.31Å
353	K	88.3	Confident	90.3	Very high	68 Å²	68	54 Å²	54	30%	0.296	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-70.7	157.1	169.5	-79.9	-174.4	173.2	177.1	0	110.4	P323 I325 N355 G356 A357	P323-K353 PolarHBondContact O-NZ 3.5Å; I325-K353 WeakPolarHBondContact O-CD 3.42Å; I325-K353 VanDerWaalsContact O-CE 3.32Å; I325-K353 WeakPolarHBondContact O-CE 3.35Å; I325-K353 PolarHBondContact O-NZ 3.32Å; K353-N355 WeakPolarHBondContact CB-OD1 3.5Å; K353-N355 PolarHBondContact O-N 3.05Å; K353-N355 VanDerWaalsContact O-N 3.1Å; K353-G356 PolarHBondContact O-N 3.23Å; K353-A357 HydrophobicContact CB-CB 4.41Å; K353-A357 PolarHBondContact N-O 3.28Å
354	P	87.1	Confident	91	Very high	145 Å²	145	48.9 Å²	48.9	94%	0.942	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.3	178.6	-26.3	35.2	0	0	0	114.8	G356	P354-G356 PolarHBondContact O-N 3.49Å
355	N	86.8	Confident	91.4	Very high	85 Å²	85	44.6 Å²	44.6	46%	0.455	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	1.9	175.5	68.8	-9.9	0	0	0	113.8	D324 K353 A357	D324-N355 WeakPolarHBondContact CA-ND2 3.34Å; D324-N355 PolarHBondContact O-ND2 3.04Å; K353-N355 WeakPolarHBondContact CB-OD1 3.5Å; K353-N355 PolarHBondContact O-N 3.05Å; K353-N355 VanDerWaalsContact O-N 3.1Å; N355-A357 WeakPolarHBondContact OD1-CB 3.46Å; N355-A357 PolarHBondContact OD1-N 3.05Å
356	G	87.1	Confident	91.6	Very high	40 Å²	40	45.1 Å²	45.1	41%	0.412	26%	0.259	S	S	.	.	S	Bend	trans	90.2	-7.4	-179	0	0	0	0	0	114.7	K353 P354	K353-G356 PolarHBondContact O-N 3.23Å; P354-G356 PolarHBondContact O-N 3.49Å
357	A	88.8	Confident	91.8	Very high	20 Å²	20	43.5 Å²	43.5	17%	0.165	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-65.7	135.4	-178	0	0	0	0	0	112	D324 R352 K353 N355 G359	D324-A357 WeakPolarHBondContact O-CB 3.39Å; R352-A357 WeakPolarHBondContact CA-O 3.31Å; K353-A357 HydrophobicContact CB-CB 4.41Å; K353-A357 PolarHBondContact N-O 3.28Å; N355-A357 WeakPolarHBondContact OD1-CB 3.46Å; N355-A357 PolarHBondContact OD1-N 3.05Å; A357-G359 PolarHBondContact O-N 2.92Å
358	I	92.4	Very high	91.7	Very high	24 Å²	24	41.1 Å²	41.1	12%	0.123	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-78.1	122	-170.1	-61.5	171.7	0	0	0	110.5	E292 E294 G326 R360	E292-I358 WeakPolarHBondContact O-CD1 3.46Å; E294-I358 HydrophobicContact CB-CG2 4.5Å; E294-I358 HydrophobicContact CG-CD1 4.27Å; E294-I358 HydrophobicContact CG-CG1 4.45Å; E294-I358 HydrophobicContact CG-CG2 3.96Å; G326-I358 WeakPolarHBondContact CA-O 3.27Å; I358-R360 HydrophobicContact CG2-CG 3.91Å
359	G	93.1	Very high	91.7	Very high	6 Å²	6	36.2 Å²	36.2	6%	0.062	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-75.9	132.8	167.3	0	0	0	0	0	110.5	E327 P350 A357	E327-G359 WeakPolarHBondContact O-CA 3.17Å; P350-G359 CarbonylContact O-C 3.54Å; P350-G359 WeakPolarHBondContact O-CA 3.21Å; A357-G359 PolarHBondContact O-N 2.92Å
360	R	95.3	Very high	91.4	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.2	-177.5	-61.9	-173.8	-169.4	-82.8	-0.6	111.2	H288 E291 I293 G295 E327 L328 R329 P350 I358 F380	H288-R360 VanDerWaalsContact ND1-CD 3.34Å; H288-R360 WeakPolarHBondContact ND1-CD 3.36Å; E291-R360 PolarHBondContact O-NH2 3.34Å; I293-R360 VanDerWaalsContact O-CZ 3.26Å; I293-R360 PolarHBondContact O-NH1 2.9Å; I293-R360 PolarHBondContact O-NH2 3.33Å; G295-R360 VanDerWaalsContact N-NH1 3.12Å; G295-R360 PolarHBondContact O-NH1 3.38Å; E327-R360 PolarHBondContact O-N 3.48Å; L328-R360 WeakPolarHBondContact CA-O 3.38Å; L328-R360 HydrophobicContact CD1-CB 3.53Å; R329-R360 PolarHBondContact N-O 3.2Å; P350-R360 VanDerWaalsContact CD-O 3.3Å; P350-R360 WeakPolarHBondContact CD-O 3.15Å; I358-R360 HydrophobicContact CG2-CG 3.91Å; R360-F380 VanDerWaalsContact NH1-CE2 3.33Å
361	K	95.4	Very high	90.7	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.013	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.9	165.3	175.6	-177.9	57.3	-172.9	0	108.9	D296 I297 R329 I331 I345 E347 V363	D296-K361 WeakPolarHBondContact CA-O 3.36Å; D296-K361 HydrophobicContact CB-CB 4.28Å; D296-K361 WeakPolarHBondContact CB-O 3.1Å; D296-K361 WeakPolarHBondContact OD1-CB 3.46Å; D296-K361 PolarHBondContact OD1-N 3.02Å; D296-K361 WeakPolarHBondContact OD2-CE 3.47Å; D296-K361 IonicContact OD2-NZ 3.52Å; D296-K361 PolarHBondContact OD2-NZ 2.89Å; I297-K361 PolarHBondContact N-O 2.95Å; R329-K361 CarbonylContact O-C 3.58Å; R329-K361 WeakPolarHBondContact O-CA 3.04Å; I331-K361 HydrophobicContact CD1-CD 3.71Å; I331-K361 HydrophobicContact CD1-CG 3.86Å; I331-K361 HydrophobicContact CG1-CG 4.3Å; I345-K361 PolarHBondContact O-NZ 2.98Å; E347-K361 PolarHBondContact O-NZ 2.99Å; K361-V363 HydrophobicContact CD-CG2 4.09Å; K361-V363 HydrophobicContact CG-CG2 4.05Å
362	C	96.7	Very high	89.7	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	108	171.2	-176.8	0	0	0	0	108.9	I297 L328 R329 C330 I331	I297-C362 HydrophobicContact CB-CB 4.27Å; I297-C362 CarbonylContact O-C 3.59Å; I297-C362 WeakPolarHBondContact O-CA 3.42Å; L328-C362 HydrophobicContact CD1-CB 3.93Å; L328-C362 HydrophobicContact CD2-CB 3.9Å; L328-C362 HydrophobicContact CG-CB 4.04Å; R329-C362 PolarHBondContact O-N 3.19Å; C330-C362 CarbonylContact C-O 3.51Å; C330-C362 WeakPolarHBondContact CA-O 3.4Å; I331-C362 PolarHBondContact N-O 2.94Å
363	V	96.4	Very high	89	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.7	173.5	-176.6	0	0	0	0	108.1	I297 L298 L299 I331 L333 I345 K361 I375	I297-V363 PolarHBondContact O-N 3.03Å; L298-V363 WeakPolarHBondContact CA-O 3.47Å; L298-V363 HydrophobicContact CD1-CB 4.02Å; L298-V363 HydrophobicContact CD1-CG1 4.04Å; L299-V363 PolarHBondContact N-O 3.42Å; I331-V363 WeakPolarHBondContact O-CA 3.33Å; L333-V363 HydrophobicContact CB-CG1 4.08Å; L333-V363 HydrophobicContact CD2-CG1 4.35Å; I345-V363 HydrophobicContact CB-CG2 4.38Å; I345-V363 HydrophobicContact CG2-CG1 3.91Å; I345-V363 HydrophobicContact CG2-CG2 4.43Å; K361-V363 HydrophobicContact CD-CG2 4.09Å; K361-V363 HydrophobicContact CG-CG2 4.05Å; V363-I375 HydrophobicContact CB-CD1 4.35Å; V363-I375 HydrophobicContact CG1-CD1 3.99Å; V363-I375 HydrophobicContact CG2-CD1 4.29Å; V363-I375 HydrophobicContact CG2-CG2 4.45Å
364	V	97	Very high	88.4	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	105.9	178.3	-171.7	0	0	0	0	107.6	L299 L301 I307 A310 I314 I331 P332 L333	L299-V364 HydrophobicContact CD2-CG1 4.02Å; L299-V364 HydrophobicContact CD2-CG2 4.38Å; L299-V364 HydrophobicContact CG-CG1 4.25Å; L301-V364 HydrophobicContact CD1-CG1 3.48Å; L301-V364 VanDerWaalsContact CD1-CG1 3.48Å; L301-V364 HydrophobicContact CG-CG1 4.18Å; I307-V364 HydrophobicContact CB-CG1 4.29Å; I307-V364 HydrophobicContact CG1-CG1 4.12Å; I307-V364 HydrophobicContact CG2-CB 4.14Å; I307-V364 HydrophobicContact CG2-CG1 3.92Å; I307-V364 WeakPolarHBondContact CG2-O 3.3Å; A310-V364 HydrophobicContact CB-CG1 4.27Å; I314-V364 HydrophobicContact CD1-CG2 4.27Å; I331-V364 PolarHBondContact O-N 3.1Å; P332-V364 CarbonylContact C-O 3.45Å; P332-V364 WeakPolarHBondContact CA-O 3.48Å; L333-V364 PolarHBondContact N-O 3.07Å
365	S	94.8	Very high	88.3	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.4	-164.3	-165.8	0	0	0	0	113.8	L299 F300 L301 L333 I368 A369	L299-S365 PolarHBondContact O-N 3.04Å; F300-S365 CarbonylContact C-O 3.54Å; F300-S365 VanDerWaalsContact CA-O 3.31Å; F300-S365 WeakPolarHBondContact CA-O 3.27Å; L301-S365 PolarHBondContact N-O 3.27Å; L333-S365 VanDerWaalsContact CD2-OG 3.28Å; L333-S365 WeakPolarHBondContact CD2-OG 3.34Å; L333-S365 WeakPolarHBondContact CG-OG 3.17Å; L333-S365 CarbonylContact O-C 3.53Å; L333-S365 WeakPolarHBondContact O-CA 3.39Å; L333-S365 PolarHBondContact O-OG 3.38Å; S365-I368 WeakPolarHBondContact OG-CG2 3.44Å; S365-A369 WeakPolarHBondContact OG-CB 3.31Å
366	T	93.2	Very high	88.2	Confident	13 Å²	13	18 Å²	18	8%	0.08	11%	0.112	C	C	.	.			trans	-71.3	-173.9	160.4	67.7	0	0	0	0	111.1	F300 L301 I307 L333 I368 A369	F300-T366 WeakPolarHBondContact CD1-O 3.23Å; L301-T366 WeakPolarHBondContact O-CA 3.33Å; I307-T366 HydrophobicContact CD1-CG2 3.48Å; I307-T366 VanDerWaalsContact CD1-CG2 3.48Å; L333-T366 PolarHBondContact O-N 3.49Å; T366-I368 PolarHBondContact O-N 3.16Å; T366-I368 WeakPolarHBondContact OG1-CB 3.35Å; T366-I368 WeakPolarHBondContact OG1-CG2 3.46Å; T366-I368 PolarHBondContact OG1-N 3.04Å; T366-A369 PolarHBondContact O-N 3.36Å
367	N	90.9	Very high	88.3	Confident	54 Å²	54	17.1 Å²	17.1	29%	0.289	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-56.5	-3.9	166.4	65.4	-12.7	0	0	0	113.9	R139 A369 E370	R139-N367 VanDerWaalsContact CZ-O 3.31Å; R139-N367 PolarHBondContact NH1-O 3.1Å; R139-N367 PolarHBondContact NH2-O 2.89Å; N367-A369 PolarHBondContact O-N 3.27Å; N367-E370 HydrophobicContact CB-CB 4.28Å; N367-E370 WeakPolarHBondContact O-CB 3.38Å; N367-E370 PolarHBondContact O-N 2.87Å
368	I	87.2	Confident	88.5	Confident	10 Å²	10	16.3 Å²	16.3	5%	0.051	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-55.6	-29.5	173.9	-166	169.5	0	0	0	113.5	R139 V141 L333 S365 T366 L373	R139-I368 PolarHBondContact NH1-O 2.91Å; V141-I368 HydrophobicContact CB-CD1 4.26Å; V141-I368 HydrophobicContact CG2-CD1 3.73Å; L333-I368 HydrophobicContact CD1-CG2 4.45Å; L333-I368 HydrophobicContact CD2-CG2 3.86Å; L333-I368 HydrophobicContact CG-CG2 3.63Å; S365-I368 WeakPolarHBondContact OG-CG2 3.44Å; T366-I368 PolarHBondContact O-N 3.16Å; T366-I368 WeakPolarHBondContact OG1-CB 3.35Å; T366-I368 WeakPolarHBondContact OG1-CG2 3.46Å; T366-I368 PolarHBondContact OG1-N 3.04Å; I368-L373 HydrophobicContact CG1-CD1 4.32Å
369	A	88.6	Confident	88.6	Confident	2 Å²	2	15.4 Å²	15.4	2%	0.017	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-90.1	-1.4	174.9	0	0	0	0	0	114.2	L298 F300 L333 S365 T366 N367 R417	L298-A369 HydrophobicContact CD1-CB 4Å; L298-A369 HydrophobicContact CD2-CB 4.22Å; F300-A369 HydrophobicContact CE1-CB 4.01Å; F300-A369 HydrophobicContact CZ-CB 4.34Å; L333-A369 HydrophobicContact CD2-CB 4.19Å; S365-A369 WeakPolarHBondContact OG-CB 3.31Å; T366-A369 PolarHBondContact O-N 3.36Å; N367-A369 PolarHBondContact O-N 3.27Å; A369-R417 WeakPolarHBondContact O-CD 3.44Å
370	E	87.3	Confident	88.8	Confident	11 Å²	11	15.2 Å²	15.2	5%	0.051	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-35.2	-178.4	-170.4	170.7	127.6	0	0	112.1	F300 N367 S410 Q413 R414 R417	F300-E370 HydrophobicContact CE1-CB 4.14Å; N367-E370 HydrophobicContact CB-CB 4.28Å; N367-E370 WeakPolarHBondContact O-CB 3.38Å; N367-E370 PolarHBondContact O-N 2.87Å; E370-S410 WeakPolarHBondContact OE1-CA 3.42Å; E370-S410 WeakPolarHBondContact OE1-CB 3.44Å; E370-S410 PolarHBondContact OE1-OG 2.75Å; E370-Q413 HydrophobicContact CG-CB 4.05Å; E370-R414 HydrophobicContact CG-CG 3.92Å; E370-R414 IonicContact OE2-CZ 3.66Å; E370-R414 IonicContact OE2-NE 3.47Å; E370-R414 PolarHBondContact OE2-NE 2.9Å; E370-R414 IonicContact OE2-NH2 2.73Å; E370-R414 PolarHBondContact OE2-NH2 3.44Å; E370-R417 PolarHBondContact O-NH1 2.8Å; E370-R417 PolarHBondContact O-NH2 3.26Å; E370-R417 VanDerWaalsContact O-NH2 3.13Å
371	T	77.2	Confident	88.9	Confident	1 Å²	1	15.1 Å²	15.1	1%	0.006	9%	0.09	C	C	.	.	S	Bend	trans	-137.2	162.4	-176.2	51	0	0	0	0	110.4	R139 E209 L373	R139-T371 PolarHBondContact NE-OG1 3.49Å; R139-T371 PolarHBondContact NH1-OG1 3.25Å; R139-T371 PolarHBondContact NH2-OG1 2.73Å; E209-T371 HydrophobicContact CG-CG2 4.2Å; E209-T371 VanDerWaalsContact OE1-CB 3.27Å; E209-T371 WeakPolarHBondContact OE1-CB 3.38Å; E209-T371 PolarHBondContact OE1-OG1 3.08Å; T371-L373 PolarHBondContact O-N 3.16Å
372	S	70.2	Confident	89	Confident	15 Å²	15	15 Å²	15	11%	0.105	9%	0.089	C	C	.	.	S	Bend	trans	62.6	-38.1	175.2	-32.7	0	0	0	0	118.5	A142	A142-S372 VanDerWaalsContact CB-CB 3.47Å
373	L	75.8	Confident	89	Confident	8 Å²	8	15 Å²	15	4%	0.042	9%	0.089	C	C	.	.			trans	-90.8	139.4	-178.5	-65.9	175.7	0	0	0	111.7	V141 L333 I345 F346 I368 T371 R420	V141-L373 HydrophobicContact CG1-CD1 4.3Å; V141-L373 HydrophobicContact CG1-CD2 4.41Å; L333-L373 HydrophobicContact CD2-CD1 4.38Å; I345-L373 HydrophobicContact CD1-CD1 4.44Å; F346-L373 HydrophobicContact CZ-CD2 4.46Å; I368-L373 HydrophobicContact CG1-CD1 4.32Å; T371-L373 PolarHBondContact O-N 3.16Å; L373-R420 PolarHBondContact O-NH1 3.15Å
374	T	76	Confident	89.1	Confident	48 Å²	48	15.1 Å²	15.1	29%	0.294	9%	0.09	S	C	.	.			trans	-120.7	104.9	174.3	-54.7	0	0	0	0	111	F346 R420	F346-T374 WeakPolarHBondContact CE1-O 3.29Å; T374-R420 PolarHBondContact OG1-NH1 3.4Å
375	I	84.6	Confident	89	Confident	12 Å²	12	15.2 Å²	15.2	6%	0.062	9%	0.091	C	C	.	.			trans	-91.6	105.3	177.1	-54.4	171.6	0	0	0	107.2	L298 I345 V363 V378	L298-I375 HydrophobicContact CD1-CD1 4.3Å; I345-I375 HydrophobicContact CB-CD1 4.32Å; I345-I375 HydrophobicContact CB-CG1 4.5Å; I345-I375 HydrophobicContact CD1-CD1 4.16Å; I345-I375 HydrophobicContact CD1-CG1 4.06Å; I345-I375 HydrophobicContact CG1-CD1 4.48Å; I345-I375 HydrophobicContact CG1-CG1 4.26Å; V363-I375 HydrophobicContact CB-CD1 4.35Å; V363-I375 HydrophobicContact CG1-CD1 3.99Å; V363-I375 HydrophobicContact CG2-CD1 4.29Å; V363-I375 HydrophobicContact CG2-CG2 4.45Å; I375-V378 HydrophobicContact CB-CG2 3.82Å; I375-V378 HydrophobicContact CG2-CG2 3.72Å
376	D	83.5	Confident	89.1	Confident	109 Å²	109	18.2 Å²	18.2	58%	0.583	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	140.3	176.4	-66.3	-20.7	0	0	0	110.2
377	G	88.8	Confident	89.1	Confident	23 Å²	23	17.9 Å²	17.9	24%	0.237	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	-12.1	179.6	0	0	0	0	0	115.2	D296 V379	D296-G377 WeakPolarHBondContact CB-O 3.5Å; D296-G377 PolarHBondContact N-O 2.95Å; G377-V379 PolarHBondContact O-N 2.9Å
378	V	93.1	Very high	89	Confident	3 Å²	3	19.5 Å²	19.5	2%	0.018	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	123.8	177.2	177.5	0	0	0	0	110.6	D296 L298 I375 V381	D296-V378 HydrophobicContact CB-CG2 4.32Å; L298-V378 HydrophobicContact CB-CG1 3.7Å; L298-V378 HydrophobicContact CB-CG2 4.27Å; I375-V378 HydrophobicContact CB-CG2 3.82Å; I375-V378 HydrophobicContact CG2-CG2 3.72Å; V378-V381 HydrophobicContact CG1-CG2 4.13Å
379	V	95	Very high	89	Confident	4 Å²	4	20.4 Å²	20.4	2%	0.024	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	-30.1	177.8	177.6	0	0	0	0	110.6	D296 G377 A418 R422 G424 K425	D296-V379 PolarHBondContact O-N 2.9Å; G377-V379 PolarHBondContact O-N 2.9Å; V379-A418 WeakPolarHBondContact O-CB 3.44Å; V379-R422 HydrophobicContact CG2-CG 3.72Å; V379-G424 CarbonylContact O-C 3.5Å; V379-G424 WeakPolarHBondContact O-CA 3.43Å; V379-K425 PolarHBondContact O-N 2.99Å
380	F	97.2	Very high	88.7	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.9	-178.2	-51	-79.8	0	0	0	109.8	I287 E291 D296 I297 L298 R360 K425 F427	I287-F380 HydrophobicContact CD1-CB 4.21Å; I287-F380 HydrophobicContact CG2-CB 4.03Å; I287-F380 HydrophobicContact CG2-CD1 3.93Å; I287-F380 HydrophobicContact CG2-CD2 3.8Å; I287-F380 HydrophobicContact CG2-CE1 4.35Å; I287-F380 HydrophobicContact CG2-CE2 4.25Å; I287-F380 HydrophobicContact CG2-CG 3.63Å; I287-F380 HydrophobicContact CG2-CZ 4.5Å; E291-F380 HydrophobicContact CB-CE1 4.09Å; E291-F380 HydrophobicContact CB-CZ 3.88Å; E291-F380 HydrophobicContact CG-CD1 4.45Å; E291-F380 HydrophobicContact CG-CE1 3.73Å; E291-F380 HydrophobicContact CG-CZ 4.07Å; D296-F380 PolarHBondContact O-N 3.28Å; D296-F380 VanDerWaalsContact O-N 3.08Å; I297-F380 CarbonylContact C-O 3.43Å; I297-F380 WeakPolarHBondContact CA-O 3.43Å; I297-F380 HydrophobicContact CG1-CB 4.25Å; I297-F380 HydrophobicContact CG1-CD2 4.35Å; L298-F380 PolarHBondContact N-O 2.73Å; R360-F380 VanDerWaalsContact NH1-CE2 3.33Å; F380-K425 CarbonylContact C-O 3.53Å; F380-K425 WeakPolarHBondContact CA-O 3.37Å; F380-K425 HydrophobicContact CD1-CB 4.15Å; F380-K425 HydrophobicContact CD1-CD 4.47Å; F380-K425 HydrophobicContact CE1-CD 4.2Å; F380-F427 HydrophobicContact CD1-CE2 4.09Å
381	V	97	Very high	88.6	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.8	173.6	170.5	0	0	0	0	109.1	L298 F300 V378 R414 R417 A418 K425 C426 F427	L298-V381 HydrophobicContact CB-CG2 4.32Å; L298-V381 CarbonylContact O-C 3.54Å; L298-V381 WeakPolarHBondContact O-CA 3.36Å; F300-V381 HydrophobicContact CD2-CG1 4.03Å; F300-V381 HydrophobicContact CE2-CG1 3.81Å; V378-V381 HydrophobicContact CG1-CG2 4.13Å; V381-R414 HydrophobicContact CG1-CB 4.47Å; V381-R417 HydrophobicContact CG2-CB 3.9Å; V381-A418 HydrophobicContact CB-CB 4.41Å; V381-A418 HydrophobicContact CG2-CB 3.77Å; V381-K425 PolarHBondContact N-O 2.52Å; V381-C426 HydrophobicContact CB-CB 4.32Å; V381-C426 CarbonylContact O-C 3.58Å; V381-C426 VanDerWaalsContact O-CA 3.29Å; V381-C426 WeakPolarHBondContact O-CA 3.46Å; V381-F427 PolarHBondContact O-N 3.48Å
382	I	98.1	Very high	88.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.6	172.8	-53.6	169.4	0	0	0	107.6	T283 V284 I287 I297 L298 L299 F300 P384 F427 L429	T283-I382 HydrophobicContact CG2-CD1 3.92Å; T283-I382 HydrophobicContact CG2-CG1 3.98Å; T283-I382 HydrophobicContact CG2-CG2 4.21Å; V284-I382 HydrophobicContact CB-CD1 4.19Å; V284-I382 HydrophobicContact CG2-CD1 3.32Å; I287-I382 HydrophobicContact CD1-CD1 3.79Å; I287-I382 HydrophobicContact CD1-CG1 3.82Å; I297-I382 HydrophobicContact CG2-CD1 3.77Å; I297-I382 HydrophobicContact CG2-CG1 4.23Å; L298-I382 PolarHBondContact O-N 3.01Å; L299-I382 HydrophobicContact CB-CB 4.46Å; L299-I382 HydrophobicContact CD1-CB 3.74Å; L299-I382 HydrophobicContact CD1-CG2 3.66Å; F300-I382 PolarHBondContact N-O 2.59Å; F300-I382 VanDerWaalsContact N-O 3.09Å; I382-P384 WeakPolarHBondContact O-CD 3.45Å; I382-F427 WeakPolarHBondContact CA-O 3.34Å; I382-L429 HydrophobicContact CG2-CD1 3.98Å; I382-L429 HydrophobicContact CG2-CD2 4.2Å; I382-L429 HydrophobicContact CG2-CG 4.14Å
383	D	97.8	Very high	89.4	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	99.9	-177.1	-178.6	24.5	0	0	0	111	G385 I406 R414 F427 R428 L429 Y430	D383-G385 PolarHBondContact O-N 3.34Å; D383-G385 PolarHBondContact OD1-N 3.19Å; D383-I406 WeakPolarHBondContact OD2-CD1 3.43Å; D383-R414 VanDerWaalsContact OD1-CD 3.25Å; D383-R414 WeakPolarHBondContact OD1-CD 3.43Å; D383-R414 IonicContact OD1-CZ 2.71Å; D383-R414 IonicContact OD1-NE 3.86Å; D383-R414 IonicContact OD1-NH1 3.03Å; D383-R414 PolarHBondContact OD1-NH1 3.44Å; D383-F427 PolarHBondContact N-O 2.9Å; D383-R428 HydrophobicContact CB-CG 4.38Å; D383-R428 WeakPolarHBondContact O-CA 3.4Å; D383-L429 PolarHBondContact O-N 3.19Å; D383-Y430 VanDerWaalsContact O-CE1 3.28Å; D383-Y430 WeakPolarHBondContact O-CE1 3.39Å; D383-Y430 PolarHBondContact OD2-OH 3.27Å
384	P	97.2	Very high	89.5	Confident	3 Å²	3	28.6 Å²	28.6	2%	0.019	15%	0.152	C	C	.	.			trans	-66.9	-13.8	171.2	-24.8	37.3	0	0	0	114.8	Y276 A280 L299 F300 L301 I382 F386 L429	Y276-P384 HydrophobicContact CD2-CB 3.63Å; Y276-P384 HydrophobicContact CD2-CG 4.29Å; Y276-P384 HydrophobicContact CE2-CB 4.42Å; Y276-P384 HydrophobicContact CG-CB 4.19Å; A280-P384 HydrophobicContact CB-CG 4.29Å; L299-P384 HydrophobicContact CD1-CG 4.1Å; F300-P384 WeakPolarHBondContact O-CD 3.45Å; F300-P384 WeakPolarHBondContact O-CG 3.28Å; L301-P384 HydrophobicContact CD2-CG 4.24Å; I382-P384 WeakPolarHBondContact O-CD 3.45Å; P384-F386 HydrophobicContact CB-CD2 4.43Å; P384-F386 WeakPolarHBondContact O-CD2 3.4Å; P384-F386 WeakPolarHBondContact O-CE2 3.4Å; P384-L429 HydrophobicContact CB-CD1 4.26Å; P384-L429 HydrophobicContact CG-CD1 3.98Å
385	G	96.2	Very high	89.4	Confident	2 Å²	2	34.7 Å²	34.7	2%	0.021	17%	0.17	C	C	.	.	S	Bend	trans	85.1	11.7	177.5	0	0	0	0	0	115.3	D383 P405 I406 Y430	D383-G385 PolarHBondContact O-N 3.34Å; D383-G385 PolarHBondContact OD1-N 3.19Å; G385-P405 CarbonylContact O-C 3.5Å; G385-P405 WeakPolarHBondContact O-CA 3.4Å; G385-I406 PolarHBondContact O-N 3.36Å; G385-Y430 VanDerWaalsContact CA-CE1 3.44Å
386	F	95.6	Very high	89	Confident	62 Å²	62	35.6 Å²	35.6	27%	0.272	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	157.2	-178.9	-61.3	-77.9	0	0	0	113.5	Y276 T302 P384 V403 C404 P405 R414	Y276-F386 AromaticContact CD1-CD2 3.74Å; Y276-F386 HydrophobicContact CD1-CD2 3.74Å; Y276-F386 AromaticContact CD1-CE2 3.69Å; Y276-F386 HydrophobicContact CD1-CE2 3.69Å; Y276-F386 HydrophobicContact CD2-CD2 4.28Å; Y276-F386 HydrophobicContact CE1-CD2 4.02Å; Y276-F386 HydrophobicContact CE1-CE2 4.28Å; Y276-F386 HydrophobicContact CE2-CD2 4.5Å; Y276-F386 AromaticContact CG-CD2 3.91Å; Y276-F386 HydrophobicContact CG-CD2 3.91Å; Y276-F386 HydrophobicContact CG-CE2 4.02Å; T302-F386 HydrophobicContact CG2-CB 3.76Å; P384-F386 HydrophobicContact CB-CD2 4.43Å; P384-F386 WeakPolarHBondContact O-CD2 3.4Å; P384-F386 WeakPolarHBondContact O-CE2 3.4Å; F386-V403 HydrophobicContact CB-CG1 3.91Å; F386-V403 HydrophobicContact CD1-CG1 4.15Å; F386-V403 HydrophobicContact CG-CG1 4.24Å; F386-C404 WeakPolarHBondContact CA-O 3.36Å; F386-P405 HydrophobicContact CD1-CG 4.5Å; F386-P405 HydrophobicContact CE1-CG 4.15Å; F386-R414 PolarHBondContact O-NH1 3.13Å; F386-R414 VanDerWaalsContact O-NH1 3.15Å; F386-R414 PolarHBondContact O-NH2 3.47Å
387	S	93.7	Very high	88.6	Confident	7 Å²	7	32.6 Å²	32.6	5%	0.049	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	153.9	170.4	60.8	0	0	0	0	110.3	Q389 C404	S387-Q389 PolarHBondContact OG-NE2 3.29Å; S387-C404 PolarHBondContact N-O 2.87Å; S387-C404 PolarHBondContact O-N 3.49Å
388	K	89.6	Confident	87.9	Confident	88 Å²	88	31.9 Å²	31.9	38%	0.383	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	122.4	167	-80	-179.5	-172.5	-174.2	0	109.6	T302 L402 V403	T302-K388 WeakPolarHBondContact O-CD 3.43Å; T302-K388 WeakPolarHBondContact O-CG 3.42Å; K388-L402 CarbonylContact C-O 3.55Å; K388-L402 VanDerWaalsContact CA-O 3.32Å; K388-L402 WeakPolarHBondContact CA-O 3.31Å; K388-V403 HydrophobicContact CG-CG2 3.87Å
389	Q	86.2	Confident	87.2	Confident	28 Å²	28	34.7 Å²	34.7	13%	0.131	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.2	177.8	-66.3	-174.9	31.1	0	0	110.2	S387 L402 C404 P405	S387-Q389 PolarHBondContact OG-NE2 3.29Å; Q389-L402 PolarHBondContact N-O 2.82Å; Q389-L402 PolarHBondContact O-N 2.99Å; Q389-C404 HydrophobicContact CG-CB 4.4Å; Q389-P405 PolarHBondContact NE2-O 3.37Å
390	K	82.7	Confident	86.3	Confident	68 Å²	68	35.2 Å²	35.2	30%	0.296	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	129.3	170.3	-150.3	-175.2	-152.8	-149	0	109.2	E399 L401 R449	K390-E399 HydrophobicContact CD-CG 4.26Å; K390-E399 VanDerWaalsContact CD-OE1 3.23Å; K390-E399 WeakPolarHBondContact CD-OE1 3.24Å; K390-E399 WeakPolarHBondContact CE-OE1 3.43Å; K390-E399 WeakPolarHBondContact CE-OE2 3.28Å; K390-E399 HydrophobicContact CG-CG 3.98Å; K390-E399 IonicContact NZ-OE1 3.98Å; K390-E399 PolarHBondContact NZ-OE1 3.38Å; K390-E399 IonicContact NZ-OE2 3.63Å; K390-E399 PolarHBondContact NZ-OE2 3.12Å; K390-L401 HydrophobicContact CB-CD2 4.3Å; K390-L401 HydrophobicContact CG-CD2 4.46Å; K390-R449 CarbonylContact C-O 3.54Å; K390-R449 WeakPolarHBondContact O-CB 3.43Å; K390-R449 PolarHBondContact O-NH1 3.46Å
391	V	85.3	Confident	85.5	Confident	42 Å²	42	40.8 Å²	40.8	26%	0.255	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	122.8	176.8	-179.1	0	0	0	0	108.2	E399 S400 L402 R449	V391-E399 WeakPolarHBondContact O-CA 3.49Å; V391-S400 PolarHBondContact N-O 3.21Å; V391-S400 PolarHBondContact O-N 3.18Å; V391-L402 HydrophobicContact CB-CD1 4.13Å; V391-L402 HydrophobicContact CG1-CD1 4.36Å; V391-L402 HydrophobicContact CG2-CB 4.32Å; V391-L402 HydrophobicContact CG2-CD1 4.09Å; V391-L402 HydrophobicContact CG2-CG 4.44Å; V391-R449 CarbonylContact C-O 3.5Å; V391-R449 WeakPolarHBondContact CA-O 3.43Å
392	Y	83.2	Confident	84.9	Confident	13 Å²	13	43.8 Å²	43.8	5%	0.051	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.7	171.7	-179.5	-110.8	0	0	0	109.4	P394 V398 E399 R449 N451 T481	Y392-P394 HydrophobicContact CD1-CB 4.32Å; Y392-P394 HydrophobicContact CE1-CB 3.8Å; Y392-P394 WeakPolarHBondContact O-CD 3.5Å; Y392-V398 WeakPolarHBondContact CA-O 3.42Å; Y392-V398 WeakPolarHBondContact CD2-O 3.49Å; Y392-E399 HydrophobicContact CD2-CB 4.03Å; Y392-R449 WeakPolarHBondContact CB-O 3.38Å; Y392-R449 PolarHBondContact N-O 3.3Å; Y392-N451 HydrophobicContact CD2-CB 3.85Å; Y392-N451 HydrophobicContact CE2-CB 3.9Å; Y392-N451 HydrophobicContact CG-CB 4.26Å; Y392-T481 HydrophobicContact CD1-CG2 3.77Å; Y392-T481 HydrophobicContact CE1-CG2 3.81Å
393	N	80.3	Confident	84.5	Confident	67 Å²	67	47 Å²	47	36%	0.358	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	105.9	171.7	-175.4	-23.8	0	0	0	109.1	R395 I396 R397 V398	N393-R395 PolarHBondContact O-N 3.07Å; N393-R395 WeakPolarHBondContact OD1-CB 3.42Å; N393-R395 PolarHBondContact OD1-N 2.61Å; N393-I396 HydrophobicContact CB-CD1 4Å; N393-I396 HydrophobicContact CB-CG1 3.63Å; N393-I396 PolarHBondContact O-N 3Å; N393-R397 WeakPolarHBondContact O-CA 3.44Å; N393-R397 PolarHBondContact O-N 3.3Å; N393-V398 PolarHBondContact N-O 3.23Å; N393-V398 PolarHBondContact O-N 3.3Å
394	P	77.6	Confident	84.1	Confident	20 Å²	20	48.4 Å²	48.4	13%	0.13	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.2	-175.5	27.3	-35.3	0	0	0	113.5	Y392 E480 R484	Y392-P394 HydrophobicContact CD1-CB 4.32Å; Y392-P394 HydrophobicContact CE1-CB 3.8Å; Y392-P394 WeakPolarHBondContact O-CD 3.5Å; P394-E480 HydrophobicContact CB-CB 4.42Å; P394-E480 HydrophobicContact CG-CB 4.37Å; P394-R484 HydrophobicContact CB-CG 4.23Å; P394-R484 PolarHBondContact O-NE 2.74Å
395	R	74.4	Confident	84	Confident	176 Å²	176	52.1 Å²	52.1	66%	0.664	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-35.7	-179.6	-63.6	-175.4	178.2	178.6	-1.3	112.9	N393 E480	N393-R395 PolarHBondContact O-N 3.07Å; N393-R395 WeakPolarHBondContact OD1-CB 3.42Å; N393-R395 PolarHBondContact OD1-N 2.61Å; R395-E480 IonicContact NE-OE2 3.34Å
396	I	76	Confident	83.9	Confident	31 Å²	31	52.2 Å²	52.2	16%	0.159	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-1.7	177.2	61.9	172.6	0	0	0	112.4	N393 V398 Q663	N393-I396 HydrophobicContact CB-CD1 4Å; N393-I396 HydrophobicContact CB-CG1 3.63Å; N393-I396 PolarHBondContact O-N 3Å; I396-V398 HydrophobicContact CB-CG2 4.42Å; I396-V398 HydrophobicContact CD1-CB 3.83Å; I396-V398 HydrophobicContact CD1-CG2 3.95Å; I396-V398 HydrophobicContact CG1-CB 3.89Å; I396-V398 HydrophobicContact CG1-CG2 3.98Å; I396-V398 WeakPolarHBondContact O-CG2 3.46Å; I396-V398 PolarHBondContact O-N 3.18Å; I396-Q663 HydrophobicContact CB-CG 4.45Å; I396-Q663 HydrophobicContact CG2-CG 4.4Å
397	R	74.6	Confident	83.8	Confident	46 Å²	46	49.4 Å²	49.4	17%	0.174	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	30.6	-179.2	-61.5	178.7	-83.4	-156.2	-11.2	114	N393 E487 D661	N393-R397 WeakPolarHBondContact O-CA 3.44Å; N393-R397 PolarHBondContact O-N 3.3Å; R397-E487 IonicContact NH1-OE1 2.82Å; R397-D661 IonicContact CZ-OD1 3.6Å; R397-D661 IonicContact CZ-OD2 2.73Å; R397-D661 IonicContact NE-OD1 3.64Å; R397-D661 PolarHBondContact NE-OD1 3.3Å; R397-D661 IonicContact NE-OD2 3.51Å; R397-D661 PolarHBondContact NE-OD2 3.32Å; R397-D661 VanDerWaalsContact NH2-CG 3.3Å; R397-D661 IonicContact NH2-OD1 2.78Å; R397-D661 PolarHBondContact NH2-OD1 2.97Å; R397-D661 IonicContact NH2-OD2 3.99Å; R397-D661 PolarHBondContact NH2-OD2 3.33Å
398	V	74.7	Confident	83.7	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.3	-178.8	171.5	0	0	0	0	110.5	Y392 N393 I396 F685 L687	Y392-V398 WeakPolarHBondContact CA-O 3.42Å; Y392-V398 WeakPolarHBondContact CD2-O 3.49Å; N393-V398 PolarHBondContact N-O 3.23Å; N393-V398 PolarHBondContact O-N 3.3Å; I396-V398 HydrophobicContact CB-CG2 4.42Å; I396-V398 HydrophobicContact CD1-CB 3.83Å; I396-V398 HydrophobicContact CD1-CG2 3.95Å; I396-V398 HydrophobicContact CG1-CB 3.89Å; I396-V398 HydrophobicContact CG1-CG2 3.98Å; I396-V398 WeakPolarHBondContact O-CG2 3.46Å; I396-V398 PolarHBondContact O-N 3.18Å; V398-F685 HydrophobicContact CB-CD1 4.39Å; V398-F685 HydrophobicContact CB-CG 4.4Å; V398-F685 HydrophobicContact CG1-CB 3.9Å; V398-F685 HydrophobicContact CG1-CD1 3.52Å; V398-F685 HydrophobicContact CG1-CE1 4.22Å; V398-F685 HydrophobicContact CG1-CG 3.8Å; V398-F685 HydrophobicContact CG2-CB 4.08Å; V398-F685 HydrophobicContact CG2-CD1 3.93Å; V398-F685 HydrophobicContact CG2-CD2 3.71Å; V398-F685 HydrophobicContact CG2-CE1 4.28Å; V398-F685 HydrophobicContact CG2-CE2 4.03Å; V398-F685 HydrophobicContact CG2-CG 3.64Å; V398-F685 HydrophobicContact CG2-CZ 4.31Å; V398-L687 HydrophobicContact CG1-CD1 4.08Å
399	E	78	Confident	83.7	Confident	63 Å²	63	48.8 Å²	48.8	29%	0.294	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.7	166.2	-167.3	165.3	-124.5	0	0	110	K390 V391 Y392 N451	K390-E399 HydrophobicContact CD-CG 4.26Å; K390-E399 VanDerWaalsContact CD-OE1 3.23Å; K390-E399 WeakPolarHBondContact CD-OE1 3.24Å; K390-E399 WeakPolarHBondContact CE-OE1 3.43Å; K390-E399 WeakPolarHBondContact CE-OE2 3.28Å; K390-E399 HydrophobicContact CG-CG 3.98Å; K390-E399 IonicContact NZ-OE1 3.98Å; K390-E399 PolarHBondContact NZ-OE1 3.38Å; K390-E399 IonicContact NZ-OE2 3.63Å; K390-E399 PolarHBondContact NZ-OE2 3.12Å; V391-E399 WeakPolarHBondContact O-CA 3.49Å; Y392-E399 HydrophobicContact CD2-CB 4.03Å; E399-N451 PolarHBondContact OE1-N 3.11Å
400	S	76.1	Confident	83.9	Confident	14 Å²	14	48 Å²	48	10%	0.098	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.1	-178.3	63.8	0	0	0	0	111.7	V391	V391-S400 PolarHBondContact N-O 3.21Å; V391-S400 PolarHBondContact O-N 3.18Å
401	L	81	Confident	84.4	Confident	120 Å²	120	44.8 Å²	44.8	63%	0.628	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	112.1	170.4	-71.8	170.1	0	0	0	108.8	K390	K390-L401 HydrophobicContact CB-CD2 4.3Å; K390-L401 HydrophobicContact CG-CD2 4.46Å
402	L	84.9	Confident	84.6	Confident	62 Å²	62	48.4 Å²	48.4	33%	0.325	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	144.9	179.9	-64.2	178.1	0	0	0	110.4	K388 Q389 V391 C404 L687	K388-L402 CarbonylContact C-O 3.55Å; K388-L402 VanDerWaalsContact CA-O 3.32Å; K388-L402 WeakPolarHBondContact CA-O 3.31Å; Q389-L402 PolarHBondContact N-O 2.82Å; Q389-L402 PolarHBondContact O-N 2.99Å; V391-L402 HydrophobicContact CB-CD1 4.13Å; V391-L402 HydrophobicContact CG1-CD1 4.36Å; V391-L402 HydrophobicContact CG2-CB 4.32Å; V391-L402 HydrophobicContact CG2-CD1 4.09Å; V391-L402 HydrophobicContact CG2-CG 4.44Å; L402-C404 PolarHBondContact O-N 3.01Å; L402-L687 HydrophobicContact CD2-CB 4.4Å
403	V	89.1	Confident	84.8	Confident	68 Å²	68	48.7 Å²	48.7	41%	0.412	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	116.9	169.5	178.8	0	0	0	0	107.6	T302 F386 K388	T302-V403 HydrophobicContact CG2-CG1 3.72Å; T302-V403 HydrophobicContact CG2-CG2 4.3Å; F386-V403 HydrophobicContact CB-CG1 3.91Å; F386-V403 HydrophobicContact CD1-CG1 4.15Å; F386-V403 HydrophobicContact CG-CG1 4.24Å; K388-V403 HydrophobicContact CG-CG2 3.87Å
404	C	90.8	Very high	85.4	Confident	29 Å²	29	45.5 Å²	45.5	20%	0.196	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.1	-177.4	-60.5	0	0	0	0	110.7	F386 S387 Q389 L402	F386-C404 WeakPolarHBondContact CA-O 3.36Å; S387-C404 PolarHBondContact N-O 2.87Å; S387-C404 PolarHBondContact O-N 3.49Å; Q389-C404 HydrophobicContact CG-CB 4.4Å; L402-C404 PolarHBondContact O-N 3.01Å
405	P	94	Very high	86.1	Confident	81 Å²	81	44.8 Å²	44.8	53%	0.526	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	144.3	167.7	-22.8	33.4	0	0	0	111.3	G385 F386 Q389	G385-P405 CarbonylContact O-C 3.5Å; G385-P405 WeakPolarHBondContact O-CA 3.4Å; F386-P405 HydrophobicContact CD1-CG 4.5Å; F386-P405 HydrophobicContact CE1-CG 4.15Å; Q389-P405 PolarHBondContact NE2-O 3.37Å
406	I	94.7	Very high	86.7	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.021	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-79	164.4	173.1	66.6	-178.4	0	0	0	111.3	D383 G385 A411 M439	D383-I406 WeakPolarHBondContact OD2-CD1 3.43Å; G385-I406 PolarHBondContact O-N 3.36Å; I406-A411 HydrophobicContact CD1-CB 3.78Å; I406-A411 HydrophobicContact CG1-CB 4.34Å; I406-M439 HydrophobicContact CG1-CE 4.45Å
407	S	92.7	Very high	87.2	Confident	4 Å²	4	36.3 Å²	36.3	3%	0.028	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-79.1	164.1	169.5	63.8	0	0	0	0	111.9	A409 S410 A411 E440 T443	S407-A409 VanDerWaalsContact C-N 3.25Å; S407-A409 PolarHBondContact O-N 3.41Å; S407-S410 WeakPolarHBondContact O-CB 3.23Å; S407-S410 PolarHBondContact O-N 3.04Å; S407-S410 PolarHBondContact OG-N 2.88Å; S407-S410 PolarHBondContact OG-OG 3.08Å; S407-A411 PolarHBondContact O-N 3.31Å; S407-E440 CarbonylContact C-O 3.5Å; S407-E440 VanDerWaalsContact CA-O 3.28Å; S407-E440 WeakPolarHBondContact CA-O 3.1Å; S407-E440 WeakPolarHBondContact CB-O 3.23Å; S407-T443 VanDerWaalsContact CB-N 3.32Å; S407-T443 WeakPolarHBondContact CB-OG1 2.98Å; S407-T443 PolarHBondContact OG-N 3.13Å; S407-T443 PolarHBondContact OG-OG1 3.49Å
408	R	92.6	Very high	87.9	Confident	70 Å²	70	34.1 Å²	34.1	26%	0.264	19%	0.189	S	C	.	.	H	α-helix	trans	-59.3	-39	172	-63.9	180	-160	177.4	5.3	111.5	A411 M412 F435 K436 M439 E440	R408-A411 PolarHBondContact O-N 3.04Å; R408-M412 VanDerWaalsContact O-CG 3.31Å; R408-M412 WeakPolarHBondContact O-CG 3.45Å; R408-M412 PolarHBondContact O-N 2.89Å; R408-F435 HydrophobicContact CB-CE2 3.91Å; R408-F435 HydrophobicContact CB-CZ 3.95Å; R408-F435 HydrophobicContact CG-CD2 4.27Å; R408-F435 HydrophobicContact CG-CE2 3.83Å; R408-F435 HydrophobicContact CG-CZ 3.96Å; R408-F435 PolarHBondContact NE-O 3.14Å; R408-K436 VanDerWaalsContact CZ-O 3.28Å; R408-K436 PolarHBondContact NH1-O 3.28Å; R408-K436 PolarHBondContact NH2-O 2.86Å; R408-M439 HydrophobicContact CG-CB 3.97Å; R408-M439 PolarHBondContact NE-O 3.49Å; R408-M439 PolarHBondContact NH2-O 3.15Å; R408-E440 PolarHBondContact N-O 3.25Å
409	A	87.8	Confident	88.3	Confident	11 Å²	11	33.8 Å²	33.8	9%	0.091	19%	0.187	C	C	.	.	H	α-helix	trans	-58.3	-48.4	174.9	0	0	0	0	0	111.8	S407 A411 M412 Q413 E441 Q442	S407-A409 VanDerWaalsContact C-N 3.25Å; S407-A409 PolarHBondContact O-N 3.41Å; A409-A411 PolarHBondContact O-N 3.05Å; A409-M412 PolarHBondContact O-N 2.93Å; A409-Q413 WeakPolarHBondContact O-CG 3.26Å; A409-Q413 PolarHBondContact O-N 2.98Å; A409-E441 WeakPolarHBondContact CB-O 3.38Å; A409-E441 PolarHBondContact N-O 3.31Å; A409-E441 VanDerWaalsContact N-O 3.07Å; A409-Q442 VanDerWaalsContact CB-OE1 3.23Å
410	S	91	Very high	88.3	Confident	13 Å²	13	32.7 Å²	32.7	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-59.3	-45.5	174.5	-78.4	0	0	0	0	112.2	E370 S407 M412 Q413 R414	E370-S410 WeakPolarHBondContact OE1-CA 3.42Å; E370-S410 WeakPolarHBondContact OE1-CB 3.44Å; E370-S410 PolarHBondContact OE1-OG 2.75Å; S407-S410 WeakPolarHBondContact O-CB 3.23Å; S407-S410 PolarHBondContact O-N 3.04Å; S407-S410 PolarHBondContact OG-N 2.88Å; S407-S410 PolarHBondContact OG-OG 3.08Å; S410-M412 VanDerWaalsContact C-N 3.3Å; S410-M412 PolarHBondContact O-N 2.92Å; S410-Q413 WeakPolarHBondContact O-CB 3.39Å; S410-Q413 PolarHBondContact O-N 3.44Å; S410-Q413 VanDerWaalsContact O-N 3.12Å; S410-R414 WeakPolarHBondContact O-CG 3.4Å; S410-R414 PolarHBondContact O-N 3.08Å
411	A	93.2	Very high	88.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.3	-34.8	177.3	0	0	0	0	0	113.1	I406 S407 R408 A409 A415 R428 Y430 F435	I406-A411 HydrophobicContact CD1-CB 3.78Å; I406-A411 HydrophobicContact CG1-CB 4.34Å; S407-A411 PolarHBondContact O-N 3.31Å; R408-A411 PolarHBondContact O-N 3.04Å; A409-A411 PolarHBondContact O-N 3.05Å; A411-A415 WeakPolarHBondContact O-CB 3.18Å; A411-A415 PolarHBondContact O-N 2.96Å; A411-A415 VanDerWaalsContact O-N 3.12Å; A411-R428 VanDerWaalsContact C-NH2 3.34Å; A411-R428 PolarHBondContact O-NH2 2.84Å; A411-R428 VanDerWaalsContact O-NH2 3.08Å; A411-Y430 WeakPolarHBondContact CB-OH 3.24Å; A411-F435 HydrophobicContact CB-CD2 4.37Å; A411-F435 HydrophobicContact CB-CE2 3.84Å
412	M	89.6	Confident	88.4	Confident	117 Å²	117	34 Å²	34	58%	0.576	18%	0.18	S	C	*	.	H	α-helix	trans	-68.2	-40.8	172.6	-71.5	176.6	-178.4	0	0	111.4	R408 A409 S410 A415 G416 F435	R408-M412 VanDerWaalsContact O-CG 3.31Å; R408-M412 WeakPolarHBondContact O-CG 3.45Å; R408-M412 PolarHBondContact O-N 2.89Å; A409-M412 PolarHBondContact O-N 2.93Å; S410-M412 VanDerWaalsContact C-N 3.3Å; S410-M412 PolarHBondContact O-N 2.92Å; M412-A415 PolarHBondContact O-N 2.97Å; M412-G416 PolarHBondContact O-N 3.27Å; M412-F435 HydrophobicContact CE-CZ 4.24Å
413	Q	88.1	Confident	88.7	Confident	19 Å²	19	33.6 Å²	33.6	9%	0.089	19%	0.186	C	C	.	.	H	α-helix	trans	-64.8	-42.3	177.2	-71.5	-174	-4.9	0	0	112.8	H208 E370 A409 S410 G416 R417	H208-Q413 PolarHBondContact CD2-NE2 3.21Å; H208-Q413 PolarHBondContact NE2-NE2 2.82Å; E370-Q413 HydrophobicContact CG-CB 4.05Å; A409-Q413 WeakPolarHBondContact O-CG 3.26Å; A409-Q413 PolarHBondContact O-N 2.98Å; S410-Q413 WeakPolarHBondContact O-CB 3.39Å; S410-Q413 PolarHBondContact O-N 3.44Å; S410-Q413 VanDerWaalsContact O-N 3.12Å; Q413-G416 PolarHBondContact O-N 3.34Å; Q413-R417 PolarHBondContact O-N 3.42Å; Q413-R417 PolarHBondContact O-NE 3.26Å; Q413-R417 PolarHBondContact O-NH2 3.35Å
414	R	93	Very high	88.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-52.9	173.3	-69.7	-178.3	-178.4	-162.9	-4.2	110.7	F300 E370 V381 D383 F386 S410 G416 R417	F300-R414 HydrophobicContact CD1-CG 4.3Å; F300-R414 HydrophobicContact CD2-CB 4Å; F300-R414 HydrophobicContact CD2-CG 3.79Å; F300-R414 HydrophobicContact CE1-CG 4.13Å; F300-R414 HydrophobicContact CE2-CB 3.63Å; F300-R414 HydrophobicContact CE2-CG 3.6Å; F300-R414 HydrophobicContact CG-CG 4.14Å; F300-R414 HydrophobicContact CZ-CB 4.16Å; F300-R414 HydrophobicContact CZ-CG 3.78Å; E370-R414 HydrophobicContact CG-CG 3.92Å; E370-R414 IonicContact OE2-CZ 3.66Å; E370-R414 IonicContact OE2-NE 3.47Å; E370-R414 PolarHBondContact OE2-NE 2.9Å; E370-R414 IonicContact OE2-NH2 2.73Å; E370-R414 PolarHBondContact OE2-NH2 3.44Å; V381-R414 HydrophobicContact CG1-CB 4.47Å; D383-R414 VanDerWaalsContact OD1-CD 3.25Å; D383-R414 WeakPolarHBondContact OD1-CD 3.43Å; D383-R414 IonicContact OD1-CZ 2.71Å; D383-R414 IonicContact OD1-NE 3.86Å; D383-R414 IonicContact OD1-NH1 3.03Å; D383-R414 PolarHBondContact OD1-NH1 3.44Å; F386-R414 PolarHBondContact O-NH1 3.13Å; F386-R414 VanDerWaalsContact O-NH1 3.15Å; F386-R414 PolarHBondContact O-NH2 3.47Å; S410-R414 WeakPolarHBondContact O-CG 3.4Å; S410-R414 PolarHBondContact O-N 3.08Å; R414-G416 VanDerWaalsContact C-N 3.3Å; R414-G416 PolarHBondContact O-N 2.78Å; R414-R417 VanDerWaalsContact O-CB 3.28Å; R414-R417 WeakPolarHBondContact O-CB 3Å; R414-R417 WeakPolarHBondContact O-CG 3.43Å; R414-R417 PolarHBondContact O-N 3.39Å
415	A	91.7	Very high	89.1	Confident	6 Å²	6	31.1 Å²	31.1	5%	0.05	17%	0.168	C	C	.	.	H	α-helix	trans	-57.6	-42.5	177.3	0	0	0	0	0	112.3	I266 A411 M412 R417 A418 C426	I266-A415 HydrophobicContact CD1-CB 3.69Å; A411-A415 WeakPolarHBondContact O-CB 3.18Å; A411-A415 PolarHBondContact O-N 2.96Å; A411-A415 VanDerWaalsContact O-N 3.12Å; M412-A415 PolarHBondContact O-N 2.97Å; A415-R417 PolarHBondContact O-N 2.77Å; A415-A418 WeakPolarHBondContact O-CB 3.48Å; A415-A418 PolarHBondContact O-N 3.39Å; A415-C426 HydrophobicContact CB-CB 3.83Å
416	G	86.7	Confident	89.2	Confident	20 Å²	20	27.3 Å²	27.3	21%	0.206	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-11.8	177.4	0	0	0	0	0	114.8	M412 Q413 R414 A418	M412-G416 PolarHBondContact O-N 3.27Å; Q413-G416 PolarHBondContact O-N 3.34Å; R414-G416 VanDerWaalsContact C-N 3.3Å; R414-G416 PolarHBondContact O-N 2.78Å; G416-A418 VanDerWaalsContact C-N 3.32Å
417	R	88.1	Confident	89.4	Confident	8 Å²	8	28.7 Å²	28.7	3%	0.03	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-30.5	172.2	-60.1	-50.7	94.9	135.4	18.5	112.9	T102 L298 F300 A369 E370 V381 Q413 R414 A415	T102-R417 PolarHBondContact OG1-NH1 3.08Å; T102-R417 PolarHBondContact OG1-NH2 2.91Å; L298-R417 HydrophobicContact CD2-CB 3.84Å; L298-R417 HydrophobicContact CD2-CG 3.86Å; F300-R417 HydrophobicContact CZ-CG 4.24Å; A369-R417 WeakPolarHBondContact O-CD 3.44Å; E370-R417 PolarHBondContact O-NH1 2.8Å; E370-R417 PolarHBondContact O-NH2 3.26Å; E370-R417 VanDerWaalsContact O-NH2 3.13Å; V381-R417 HydrophobicContact CG2-CB 3.9Å; Q413-R417 PolarHBondContact O-N 3.42Å; Q413-R417 PolarHBondContact O-NE 3.26Å; Q413-R417 PolarHBondContact O-NH2 3.35Å; R414-R417 VanDerWaalsContact O-CB 3.28Å; R414-R417 WeakPolarHBondContact O-CB 3Å; R414-R417 WeakPolarHBondContact O-CG 3.43Å; R414-R417 PolarHBondContact O-N 3.39Å; A415-R417 PolarHBondContact O-N 2.77Å
418	A	88.6	Confident	89.6	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-35.9	-179.6	0	0	0	0	0	112.8	V264 V379 V381 A415 G416 R420	V264-A418 HydrophobicContact CG1-CB 3.95Å; V264-A418 HydrophobicContact CG2-CB 4.16Å; V379-A418 WeakPolarHBondContact O-CB 3.44Å; V381-A418 HydrophobicContact CB-CB 4.41Å; V381-A418 HydrophobicContact CG2-CB 3.77Å; A415-A418 WeakPolarHBondContact O-CB 3.48Å; A415-A418 PolarHBondContact O-N 3.39Å; G416-A418 VanDerWaalsContact C-N 3.32Å; A418-R420 VanDerWaalsContact C-N 3.32Å; A418-R420 PolarHBondContact O-N 3.22Å
419	G	82.6	Confident	89.9	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	18.4	-171.7	0	0	0	0	0	115.4	T261 F262 V264	T261-G419 CarbonylContact C-O 3.58Å; T261-G419 WeakPolarHBondContact CA-O 3.26Å; F262-G419 PolarHBondContact N-O 2.86Å; F262-G419 WeakPolarHBondContact O-CA 3.15Å; V264-G419 VanDerWaalsContact CG2-CA 3.46Å
420	R	77.5	Confident	90.3	Very high	40 Å²	40	26.4 Å²	26.4	15%	0.151	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-41.2	-171.8	-74.9	179.8	167.9	177.9	-18.9	114.3	T102 L373 T374 A418	T102-R420 PolarHBondContact OG1-NE 2.91Å; T102-R420 PolarHBondContact OG1-NH2 3.05Å; L373-R420 PolarHBondContact O-NH1 3.15Å; T374-R420 PolarHBondContact OG1-NH1 3.4Å; A418-R420 VanDerWaalsContact C-N 3.32Å; A418-R420 PolarHBondContact O-N 3.22Å
421	T	75.5	Confident	90.6	Very high	50 Å²	50	26.9 Å²	26.9	31%	0.307	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-29.9	-174.6	59.4	0	0	0	0	112.8	F262	F262-T421 VanDerWaalsContact CE2-C 3.48Å; F262-T421 VanDerWaalsContact CE2-O 3.28Å; F262-T421 WeakPolarHBondContact CE2-O 3.19Å
422	R	84.7	Confident	90.7	Very high	112 Å²	112	31.2 Å²	31.2	42%	0.423	16%	0.161	S	C	.	.	S	Bend	trans	-160.5	174.8	177.1	60.9	-175.3	74.9	170.7	-1.2	108.8	F262 E294 V379	F262-R422 WeakPolarHBondContact CB-O 3.1Å; F262-R422 VanDerWaalsContact CG-C 3.46Å; E294-R422 PolarHBondContact O-NH1 3.39Å; V379-R422 HydrophobicContact CG2-CG 3.72Å
423	A	90.7	Very high	91	Very high	53 Å²	53	32.1 Å²	32.1	44%	0.438	16%	0.162	S	C	.	.			trans	-58.1	140.8	174.1	0	0	0	0	0	110.4	F262 P263	F262-A423 HydrophobicContact CB-CB 4.37Å; F262-A423 VanDerWaalsContact CB-N 3.32Å; P263-A423 HydrophobicContact CG-CB 4.13Å; P263-A423 WeakPolarHBondContact O-CA 3.32Å
424	G	92.7	Very high	91.3	Very high	6 Å²	6	32.1 Å²	32.1	6%	0.062	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	178.7	-172	0	0	0	0	0	113.7	P263 V264 E265 V379	P263-G424 PolarHBondContact O-N 3.01Å; P263-G424 VanDerWaalsContact O-N 3.1Å; V264-G424 VanDerWaalsContact CA-O 3.31Å; V264-G424 WeakPolarHBondContact CA-O 3.27Å; E265-G424 PolarHBondContact N-O 3.47Å; V379-G424 CarbonylContact O-C 3.5Å; V379-G424 WeakPolarHBondContact O-CA 3.43Å
425	K	95.7	Very high	91.4	Very high	40 Å²	40	33 Å²	33	17%	0.174	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138.1	-178.9	-61.7	-177.8	174.9	169	0	110.1	E265 F267 E291 V379 F380 V381 F427	E265-K425 HydrophobicContact CB-CG 4.32Å; E265-K425 CarbonylContact O-C 3.43Å; E265-K425 WeakPolarHBondContact O-CA 3.44Å; F267-K425 HydrophobicContact CD2-CB 4.35Å; F267-K425 HydrophobicContact CE2-CB 3.88Å; F267-K425 HydrophobicContact CE2-CD 3.77Å; F267-K425 HydrophobicContact CE2-CG 3.83Å; F267-K425 HydrophobicContact CZ-CD 4.23Å; E291-K425 IonicContact OE1-NZ 2.84Å; E291-K425 PolarHBondContact OE1-NZ 2.86Å; E291-K425 IonicContact OE2-NZ 3.67Å; E291-K425 PolarHBondContact OE2-NZ 3.11Å; V379-K425 PolarHBondContact O-N 2.99Å; F380-K425 CarbonylContact C-O 3.53Å; F380-K425 WeakPolarHBondContact CA-O 3.37Å; F380-K425 HydrophobicContact CD1-CB 4.15Å; F380-K425 HydrophobicContact CD1-CD 4.47Å; F380-K425 HydrophobicContact CE1-CD 4.2Å; V381-K425 PolarHBondContact N-O 2.52Å; K425-F427 HydrophobicContact CB-CE2 3.92Å; K425-F427 HydrophobicContact CB-CZ 4.14Å; K425-F427 HydrophobicContact CD-CZ 4.16Å
426	C	97	Very high	91.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.4	172.7	-177.3	0	0	0	0	110.1	V264 E265 I266 F267 V381 A415	V264-C426 HydrophobicContact CG1-CB 3.89Å; E265-C426 PolarHBondContact O-N 3.39Å; I266-C426 HydrophobicContact CD1-CB 3.71Å; F267-C426 PolarHBondContact N-O 3.48Å; V381-C426 HydrophobicContact CB-CB 4.32Å; V381-C426 CarbonylContact O-C 3.58Å; V381-C426 VanDerWaalsContact O-CA 3.29Å; V381-C426 WeakPolarHBondContact O-CA 3.46Å; A415-C426 HydrophobicContact CB-CB 3.83Å
427	F	98	Very high	91.8	Very high	34 Å²	34	43.7 Å²	43.7	15%	0.149	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	103.4	177.9	-58.7	-87.6	0	0	0	109.5	F267 T283 I287 F380 V381 I382 D383 K425	F267-F427 HydrophobicContact CB-CD1 3.86Å; F267-F427 HydrophobicContact CB-CE1 4.35Å; F267-F427 AromaticContact CD2-CD1 3.96Å; F267-F427 HydrophobicContact CD2-CD1 3.96Å; F267-F427 AromaticContact CD2-CE1 3.77Å; F267-F427 HydrophobicContact CD2-CE1 3.77Å; F267-F427 HydrophobicContact CD2-CZ 4.29Å; F267-F427 HydrophobicContact CE2-CE1 4.31Å; F267-F427 HydrophobicContact CG-CD1 4.05Å; F267-F427 HydrophobicContact CG-CE1 4.04Å; T283-F427 HydrophobicContact CG2-CB 3.91Å; T283-F427 HydrophobicContact CG2-CD1 4.49Å; T283-F427 HydrophobicContact CG2-CD2 4.46Å; T283-F427 HydrophobicContact CG2-CG 4.05Å; I287-F427 HydrophobicContact CD1-CD2 3.52Å; I287-F427 HydrophobicContact CD1-CE2 3.43Å; I287-F427 VanDerWaalsContact CD1-CE2 3.43Å; I287-F427 HydrophobicContact CD1-CG 4.38Å; I287-F427 HydrophobicContact CD1-CZ 4.25Å; I287-F427 HydrophobicContact CG1-CD2 4.2Å; I287-F427 HydrophobicContact CG1-CE2 3.65Å; I287-F427 HydrophobicContact CG1-CZ 4.01Å; F380-F427 HydrophobicContact CD1-CE2 4.09Å; V381-F427 PolarHBondContact O-N 3.48Å; I382-F427 WeakPolarHBondContact CA-O 3.34Å; D383-F427 PolarHBondContact N-O 2.9Å; K425-F427 HydrophobicContact CB-CE2 3.92Å; K425-F427 HydrophobicContact CB-CZ 4.14Å; K425-F427 HydrophobicContact CD-CZ 4.16Å
428	R	97.8	Very high	92	Very high	10 Å²	10	49.1 Å²	49.1	4%	0.038	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	118.4	176.6	-68.1	178.5	171.2	-178.2	-7	109.4	I266 F267 Y268 T269 D383 A411 Y430 F435	I266-R428 HydrophobicContact CG2-CG 4.22Å; F267-R428 WeakPolarHBondContact O-CB 3.25Å; F267-R428 PolarHBondContact O-N 2.89Å; Y268-R428 HydrophobicContact CD1-CB 3.89Å; Y268-R428 HydrophobicContact CE1-CB 4.18Å; Y268-R428 HydrophobicContact CE1-CG 4.4Å; Y268-R428 PolarHBondContact OH-NH1 3.38Å; T269-R428 PolarHBondContact N-O 2.87Å; D383-R428 HydrophobicContact CB-CG 4.38Å; D383-R428 WeakPolarHBondContact O-CA 3.4Å; A411-R428 VanDerWaalsContact C-NH2 3.34Å; A411-R428 PolarHBondContact O-NH2 2.84Å; A411-R428 VanDerWaalsContact O-NH2 3.08Å; R428-Y430 HydrophobicContact CB-CD1 4.29Å; R428-Y430 HydrophobicContact CB-CD2 4.18Å; R428-Y430 HydrophobicContact CB-CE1 3.86Å; R428-Y430 HydrophobicContact CB-CE2 3.76Å; R428-Y430 HydrophobicContact CB-CG 4.45Å; R428-Y430 VanDerWaalsContact CD-OH 3.27Å; R428-Y430 WeakPolarHBondContact CD-OH 3.35Å; R428-Y430 HydrophobicContact CG-CE1 4.22Å; R428-Y430 HydrophobicContact CG-CE2 4.04Å; R428-Y430 WeakPolarHBondContact CG-OH 3.14Å; R428-Y430 PolarHBondContact NE-OH 3.34Å; R428-Y430 PolarHBondContact O-N 3.42Å; R428-F435 VanDerWaalsContact NH1-CZ 3.34Å
429	L	97.2	Very high	92.2	Very high	11 Å²	11	49.8 Å²	49.8	6%	0.058	24%	0.243	C	C	.	.	S	Bend	trans	-83.8	38.6	-176.1	-46.7	-177.9	0	0	0	112.6	T269 A279 A280 T283 I382 D383 P384	T269-L429 HydrophobicContact CG2-CB 4.5Å; A279-L429 HydrophobicContact CB-CD1 4.06Å; A280-L429 HydrophobicContact CB-CD1 3.79Å; T283-L429 HydrophobicContact CG2-CD2 4.49Å; I382-L429 HydrophobicContact CG2-CD1 3.98Å; I382-L429 HydrophobicContact CG2-CD2 4.2Å; I382-L429 HydrophobicContact CG2-CG 4.14Å; D383-L429 PolarHBondContact O-N 3.19Å; P384-L429 HydrophobicContact CB-CD1 4.26Å; P384-L429 HydrophobicContact CG-CD1 3.98Å
430	Y	96.8	Very high	92.6	Very high	16 Å²	16	55 Å²	55	6%	0.063	27%	0.267	C	S	.	.	S	Bend	trans	-149.3	159.7	179.9	45.6	-93.7	0	0	0	108.9	Y268 T269 D383 G385 A411 R428 F435 M439	Y268-Y430 WeakPolarHBondContact CB-O 3.24Å; Y268-Y430 HydrophobicContact CD1-CD2 4.37Å; Y268-Y430 HydrophobicContact CD1-CE2 4.46Å; Y268-Y430 WeakPolarHBondContact CD1-O 3.28Å; Y268-Y430 HydrophobicContact CE1-CD2 4.49Å; Y268-Y430 HydrophobicContact CE1-CE2 4.2Å; T269-Y430 PolarHBondContact N-O 3.14Å; T269-Y430 VanDerWaalsContact OG1-C 3.29Å; T269-Y430 WeakPolarHBondContact OG1-CA 3.49Å; T269-Y430 PolarHBondContact OG1-N 2.98Å; D383-Y430 VanDerWaalsContact O-CE1 3.28Å; D383-Y430 WeakPolarHBondContact O-CE1 3.39Å; D383-Y430 PolarHBondContact OD2-OH 3.27Å; G385-Y430 VanDerWaalsContact CA-CE1 3.44Å; A411-Y430 WeakPolarHBondContact CB-OH 3.24Å; R428-Y430 HydrophobicContact CB-CD1 4.29Å; R428-Y430 HydrophobicContact CB-CD2 4.18Å; R428-Y430 HydrophobicContact CB-CE1 3.86Å; R428-Y430 HydrophobicContact CB-CE2 3.76Å; R428-Y430 HydrophobicContact CB-CG 4.45Å; R428-Y430 VanDerWaalsContact CD-OH 3.27Å; R428-Y430 WeakPolarHBondContact CD-OH 3.35Å; R428-Y430 HydrophobicContact CG-CE1 4.22Å; R428-Y430 HydrophobicContact CG-CE2 4.04Å; R428-Y430 WeakPolarHBondContact CG-OH 3.14Å; R428-Y430 PolarHBondContact NE-OH 3.34Å; R428-Y430 PolarHBondContact O-N 3.42Å; Y430-F435 HydrophobicContact CD2-CB 4.22Å; Y430-F435 HydrophobicContact CE2-CB 3.98Å; Y430-F435 AromaticContact CE2-CD2 3.99Å; Y430-F435 HydrophobicContact CE2-CD2 3.99Å; Y430-F435 HydrophobicContact CE2-CG 4.4Å; Y430-M439 HydrophobicContact CD1-CE 3.94Å; Y430-M439 HydrophobicContact CD2-CE 3.72Å; Y430-M439 HydrophobicContact CE1-CE 3.81Å; Y430-M439 HydrophobicContact CE2-CE 3.55Å; Y430-M439 HydrophobicContact CE2-SD 4.02Å; Y430-M439 HydrophobicContact CG-CE 3.9Å
431	T	96.7	Very high	93.2	Very high	23 Å²	23	59.8 Å²	59.8	14%	0.141	29%	0.292	C	S	.	.			trans	-72.9	153.7	-177.9	69.4	0	0	0	0	111.6	T269 P272 K433 A434 F435	T269-T431 WeakPolarHBondContact O-CA 3.28Å; P272-T431 HydrophobicContact CG-CG2 4.1Å; T431-K433 PolarHBondContact O-N 3.34Å; T431-A434 PolarHBondContact O-N 3.23Å; T431-A434 VanDerWaalsContact O-N 3.11Å; T431-A434 WeakPolarHBondContact OG1-CB 3.39Å; T431-A434 PolarHBondContact OG1-N 3.09Å; T431-F435 PolarHBondContact O-N 2.62Å; T431-F435 VanDerWaalsContact O-N 3.1Å
432	E	96.3	Very high	93.6	Very high	90 Å²	90	60.6 Å²	60.6	42%	0.421	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-32.9	173.4	-169.1	-175.1	175.5	0	0	111.6	Y268 F435 K436	Y268-E432 HydrophobicContact CD1-CB 4.2Å; Y268-E432 HydrophobicContact CD2-CB 3.82Å; Y268-E432 HydrophobicContact CD2-CG 4.08Å; Y268-E432 HydrophobicContact CE1-CB 4.39Å; Y268-E432 HydrophobicContact CE2-CB 4.04Å; Y268-E432 HydrophobicContact CE2-CG 3.79Å; Y268-E432 HydrophobicContact CG-CB 3.9Å; E432-F435 PolarHBondContact O-N 3.49Å; E432-K436 HydrophobicContact CG-CD 4.27Å; E432-K436 PolarHBondContact O-N 3.37Å; E432-K436 VanDerWaalsContact OE1-CE 3.27Å; E432-K436 WeakPolarHBondContact OE1-CE 3.27Å; E432-K436 IonicContact OE1-NZ 3.52Å; E432-K436 PolarHBondContact OE1-NZ 3.34Å
433	K	95.6	Very high	93.7	Very high	137 Å²	137	57.6 Å²	57.6	60%	0.596	29%	0.286	S	S	*	.	H	α-helix	trans	-62.2	-46.5	174.3	-173.8	-177.8	175.9	-174	0	111.3	T431 F435 K436 Q437	T431-K433 PolarHBondContact O-N 3.34Å; K433-F435 VanDerWaalsContact C-N 3.31Å; K433-F435 PolarHBondContact O-N 3.39Å; K433-K436 PolarHBondContact O-N 3.31Å; K433-K436 VanDerWaalsContact O-N 3.16Å; K433-Q437 HydrophobicContact CG-CG 4.37Å; K433-Q437 WeakPolarHBondContact O-CB 3.42Å; K433-Q437 PolarHBondContact O-N 3.17Å
434	A	94.9	Very high	93.5	Very high	18 Å²	18	61.1 Å²	61.1	15%	0.149	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-40.6	177.3	0	0	0	0	0	111.6	T431 K436 D438 M439	T431-A434 PolarHBondContact O-N 3.23Å; T431-A434 VanDerWaalsContact O-N 3.11Å; T431-A434 WeakPolarHBondContact OG1-CB 3.39Å; T431-A434 PolarHBondContact OG1-N 3.09Å; A434-K436 VanDerWaalsContact C-N 3.35Å; A434-K436 PolarHBondContact O-N 2.73Å; A434-D438 WeakPolarHBondContact CA-OD2 3.5Å; A434-D438 WeakPolarHBondContact O-CA 3.35Å; A434-D438 WeakPolarHBondContact O-CB 3.35Å; A434-D438 PolarHBondContact O-N 2.88Å; A434-M439 PolarHBondContact O-N 3.34Å; A434-M439 VanDerWaalsContact O-N 3.09Å
435	F	94.9	Very high	93.1	Very high	19 Å²	19	61.9 Å²	61.9	8%	0.083	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-42.4	173.8	179.3	-102.1	0	0	0	112.7	Y268 R408 A411 M412 R428 Y430 T431 E432 K433 M439	Y268-F435 HydrophobicContact CE1-CB 3.93Å; Y268-F435 HydrophobicContact CE1-CG 4.19Å; R408-F435 HydrophobicContact CB-CE2 3.91Å; R408-F435 HydrophobicContact CB-CZ 3.95Å; R408-F435 HydrophobicContact CG-CD2 4.27Å; R408-F435 HydrophobicContact CG-CE2 3.83Å; R408-F435 HydrophobicContact CG-CZ 3.96Å; R408-F435 PolarHBondContact NE-O 3.14Å; A411-F435 HydrophobicContact CB-CD2 4.37Å; A411-F435 HydrophobicContact CB-CE2 3.84Å; M412-F435 HydrophobicContact CE-CZ 4.24Å; R428-F435 VanDerWaalsContact NH1-CZ 3.34Å; Y430-F435 HydrophobicContact CD2-CB 4.22Å; Y430-F435 HydrophobicContact CE2-CB 3.98Å; Y430-F435 AromaticContact CE2-CD2 3.99Å; Y430-F435 HydrophobicContact CE2-CD2 3.99Å; Y430-F435 HydrophobicContact CE2-CG 4.4Å; T431-F435 PolarHBondContact O-N 2.62Å; T431-F435 VanDerWaalsContact O-N 3.1Å; E432-F435 PolarHBondContact O-N 3.49Å; K433-F435 VanDerWaalsContact C-N 3.31Å; K433-F435 PolarHBondContact O-N 3.39Å; F435-M439 HydrophobicContact CD2-SD 3.81Å
436	K	93.8	Very high	92.6	Very high	118 Å²	118	62.8 Å²	62.8	51%	0.513	30%	0.298	S	S	.	.	H	α-helix	trans	-85.6	-21.5	-175.6	-74.1	177.1	172.1	169.2	0	115.3	R408 E432 K433 A434	R408-K436 VanDerWaalsContact CZ-O 3.28Å; R408-K436 PolarHBondContact NH1-O 3.28Å; R408-K436 PolarHBondContact NH2-O 2.86Å; E432-K436 HydrophobicContact CG-CD 4.27Å; E432-K436 PolarHBondContact O-N 3.37Å; E432-K436 VanDerWaalsContact OE1-CE 3.27Å; E432-K436 WeakPolarHBondContact OE1-CE 3.27Å; E432-K436 IonicContact OE1-NZ 3.52Å; E432-K436 PolarHBondContact OE1-NZ 3.34Å; K433-K436 PolarHBondContact O-N 3.31Å; K433-K436 VanDerWaalsContact O-N 3.16Å; A434-K436 VanDerWaalsContact C-N 3.35Å; A434-K436 PolarHBondContact O-N 2.73Å
437	Q	92.6	Very high	92	Very high	132 Å²	132	62.9 Å²	62.9	62%	0.617	30%	0.298	S	S	*	.	H	α-helix	trans	-118.6	-38	-173.6	-64	-174.2	-12.6	0	0	113.2	K433	K433-Q437 HydrophobicContact CG-CG 4.37Å; K433-Q437 WeakPolarHBondContact O-CB 3.42Å; K433-Q437 PolarHBondContact O-N 3.17Å
438	D	91.6	Very high	91.3	Very high	122 Å²	122	63.6 Å²	63.6	65%	0.652	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-30.9	-170.5	-54.5	-24	0	0	0	112.3	A434	A434-D438 WeakPolarHBondContact CA-OD2 3.5Å; A434-D438 WeakPolarHBondContact O-CA 3.35Å; A434-D438 WeakPolarHBondContact O-CB 3.35Å; A434-D438 PolarHBondContact O-N 2.88Å
439	M	93	Very high	90.6	Very high	15 Å²	15	65.2 Å²	65.2	7%	0.074	31%	0.309	C	S	.	.	S	Bend	trans	-81.7	130.7	177.1	-66.1	-176.7	174.8	0	0	111.7	I406 R408 Y430 A434 F435	I406-M439 HydrophobicContact CG1-CE 4.45Å; R408-M439 HydrophobicContact CG-CB 3.97Å; R408-M439 PolarHBondContact NE-O 3.49Å; R408-M439 PolarHBondContact NH2-O 3.15Å; Y430-M439 HydrophobicContact CD1-CE 3.94Å; Y430-M439 HydrophobicContact CD2-CE 3.72Å; Y430-M439 HydrophobicContact CE1-CE 3.81Å; Y430-M439 HydrophobicContact CE2-CE 3.55Å; Y430-M439 HydrophobicContact CE2-SD 4.02Å; Y430-M439 HydrophobicContact CG-CE 3.9Å; A434-M439 PolarHBondContact O-N 3.34Å; A434-M439 VanDerWaalsContact O-N 3.09Å; F435-M439 HydrophobicContact CD2-SD 3.81Å
440	E	91.9	Very high	89.9	Confident	109 Å²	109	64.7 Å²	64.7	51%	0.509	31%	0.307	S	S	.	.			trans	-63	150.9	170.4	-64.6	-69.1	-179.6	0	0	111.4	S407 R408 Y444	S407-E440 CarbonylContact C-O 3.5Å; S407-E440 VanDerWaalsContact CA-O 3.28Å; S407-E440 WeakPolarHBondContact CA-O 3.1Å; S407-E440 WeakPolarHBondContact CB-O 3.23Å; R408-E440 PolarHBondContact N-O 3.25Å; E440-Y444 HydrophobicContact CG-CE2 4.22Å
441	E	89	Confident	89.2	Confident	141 Å²	141	65.4 Å²	65.4	66%	0.659	31%	0.311	S	S	*	.	S	Bend	trans	-65.5	-45	-178.9	-170.8	-178.8	169.1	0	0	112.3	A409	A409-E441 WeakPolarHBondContact CB-O 3.38Å; A409-E441 PolarHBondContact N-O 3.31Å; A409-E441 VanDerWaalsContact N-O 3.07Å
442	Q	85.6	Confident	88.7	Confident	66 Å²	66	64.4 Å²	64.4	31%	0.308	31%	0.305	S	S	.	.	S	Bend	trans	-128.2	150.8	-177.6	-66.4	-66.3	-18.1	0	0	110.3	A409	A409-Q442 VanDerWaalsContact CB-OE1 3.23Å
443	T	86.4	Confident	88.2	Confident	49 Å²	49	60.3 Å²	60.3	30%	0.301	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-71.4	131.8	172.4	-55.5	0	0	0	0	108.8	S407	S407-T443 VanDerWaalsContact CB-N 3.32Å; S407-T443 WeakPolarHBondContact CB-OG1 2.98Å; S407-T443 PolarHBondContact OG-N 3.13Å; S407-T443 PolarHBondContact OG-OG1 3.49Å
444	Y	86	Confident	87.7	Confident	127 Å²	127	55.4 Å²	55.4	50%	0.498	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-56.6	131.5	175.3	-72.5	-83.5	0	0	0	110.6	E440 L448 R449	E440-Y444 HydrophobicContact CG-CE2 4.22Å; Y444-L448 HydrophobicContact CD1-CD1 4.47Å; Y444-R449 PolarHBondContact O-NE 2.82Å; Y444-R449 VanDerWaalsContact O-NE 3.11Å; Y444-R449 PolarHBondContact O-NH2 3.35Å
445	P	85.3	Confident	87.2	Confident	23 Å²	23	54.7 Å²	54.7	15%	0.149	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-50	140.7	177	-29.8	35.9	0	0	0	112.4	R210 I447 L448	R210-P445 HydrophobicContact CB-CB 4.16Å; R210-P445 HydrophobicContact CB-CG 4.42Å; P445-I447 HydrophobicContact CB-CG2 4.03Å; P445-I447 PolarHBondContact O-N 2.92Å; P445-L448 PolarHBondContact O-N 3.38Å
446	E	85.1	Confident	86.8	Confident	59 Å²	59	53.8 Å²	53.8	28%	0.276	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-62.1	-28.9	-172.6	-179	175.8	-155.5	0	0	112.8	R210 T211 L212 L448 R449 S450	R210-E446 PolarHBondContact O-N 3.35Å; T211-E446 VanDerWaalsContact CA-OE2 3.28Å; T211-E446 WeakPolarHBondContact CA-OE2 3.45Å; T211-E446 WeakPolarHBondContact CB-OE2 3.3Å; L212-E446 HydrophobicContact CB-CG 4.22Å; L212-E446 PolarHBondContact N-OE2 3.43Å; E446-L448 PolarHBondContact O-N 3.07Å; E446-R449 CarbonylContact O-C 3.55Å; E446-R449 PolarHBondContact O-N 3.31Å; E446-S450 WeakPolarHBondContact CG-OG 3.41Å; E446-S450 WeakPolarHBondContact O-CB 3.16Å; E446-S450 PolarHBondContact O-N 3.2Å; E446-S450 VanDerWaalsContact O-N 3.1Å; E446-S450 PolarHBondContact O-OG 2.82Å
447	I	83.9	Confident	86.6	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-60	-25.9	175.3	-164.9	168.8	0	0	0	114	L212 P445 R449 L452 A474 L475	L212-I447 HydrophobicContact CD1-CB 3.67Å; L212-I447 HydrophobicContact CD1-CD1 4.12Å; L212-I447 HydrophobicContact CD1-CG1 3.58Å; P445-I447 HydrophobicContact CB-CG2 4.03Å; P445-I447 PolarHBondContact O-N 2.92Å; I447-R449 VanDerWaalsContact C-N 3.31Å; I447-L452 HydrophobicContact CG1-CD2 3.73Å; I447-A474 HydrophobicContact CG2-CB 3.39Å; I447-L475 HydrophobicContact CD1-CD1 3.52Å; I447-L475 HydrophobicContact CD1-CG 3.7Å; I447-L475 HydrophobicContact CG1-CG 4.41Å
448	L	83.2	Confident	86.1	Confident	50 Å²	50	43.9 Å²	43.9	26%	0.262	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-82.6	-11	176	-56.7	-177.5	0	0	0	113	Y444 P445 E446 A474 A478	Y444-L448 HydrophobicContact CD1-CD1 4.47Å; P445-L448 PolarHBondContact O-N 3.38Å; E446-L448 PolarHBondContact O-N 3.07Å; L448-A474 WeakPolarHBondContact CD2-O 3.2Å; L448-A478 HydrophobicContact CD2-CB 4.21Å
449	R	83.5	Confident	85.7	Confident	43 Å²	43	38.2 Å²	38.2	16%	0.162	19%	0.185	C	C	.	.	S	Bend	trans	-127.5	10.6	-171.1	-60.5	-176	-71.7	104.6	-4.6	113.6	K390 V391 Y392 Y444 E446 I447	K390-R449 CarbonylContact C-O 3.54Å; K390-R449 WeakPolarHBondContact O-CB 3.43Å; K390-R449 PolarHBondContact O-NH1 3.46Å; V391-R449 CarbonylContact C-O 3.5Å; V391-R449 WeakPolarHBondContact CA-O 3.43Å; Y392-R449 WeakPolarHBondContact CB-O 3.38Å; Y392-R449 PolarHBondContact N-O 3.3Å; Y444-R449 PolarHBondContact O-NE 2.82Å; Y444-R449 VanDerWaalsContact O-NE 3.11Å; Y444-R449 PolarHBondContact O-NH2 3.35Å; E446-R449 CarbonylContact O-C 3.55Å; E446-R449 PolarHBondContact O-N 3.31Å; I447-R449 VanDerWaalsContact C-N 3.31Å
450	S	82.6	Confident	85.4	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-122.6	156.3	-177.3	-58.8	0	0	0	0	111.7	E446 L452	E446-S450 WeakPolarHBondContact CG-OG 3.41Å; E446-S450 WeakPolarHBondContact O-CB 3.16Å; E446-S450 PolarHBondContact O-N 3.2Å; E446-S450 VanDerWaalsContact O-N 3.1Å; E446-S450 PolarHBondContact O-OG 2.82Å; S450-L452 PolarHBondContact O-N 2.84Å
451	N	81.5	Confident	85.2	Confident	31 Å²	31	35.6 Å²	35.6	17%	0.166	17%	0.172	C	C	.	.			trans	-67.6	126.1	167.1	-173	-17.3	0	0	0	109.7	Y392 E399 G453	Y392-N451 HydrophobicContact CD2-CB 3.85Å; Y392-N451 HydrophobicContact CE2-CB 3.9Å; Y392-N451 HydrophobicContact CG-CB 4.26Å; E399-N451 PolarHBondContact OE1-N 3.11Å; N451-G453 PolarHBondContact OD1-N 2.89Å
452	L	85.5	Confident	84.8	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	15%	0.147	C	C	.	.			trans	-90.8	2.9	-177.3	-58.4	178.9	0	0	0	113.6	L212 I447 S450 S454 V455 V456 L475 T481 A485	L212-L452 HydrophobicContact CD1-CD2 3.93Å; I447-L452 HydrophobicContact CG1-CD2 3.73Å; S450-L452 PolarHBondContact O-N 2.84Å; L452-S454 PolarHBondContact O-N 2.92Å; L452-V455 WeakPolarHBondContact O-CB 3.37Å; L452-V455 PolarHBondContact O-N 3.22Å; L452-V455 VanDerWaalsContact O-N 3.13Å; L452-V456 HydrophobicContact CB-CG2 4.2Å; L452-V456 WeakPolarHBondContact O-CG2 3.39Å; L452-V456 PolarHBondContact O-N 3.4Å; L452-L475 HydrophobicContact CD1-CD2 4.12Å; L452-T481 HydrophobicContact CB-CG2 4.47Å; L452-T481 HydrophobicContact CD1-CG2 3.75Å; L452-T481 HydrophobicContact CG-CG2 3.72Å; L452-A485 HydrophobicContact CB-CB 3.91Å
453	G	86.2	Confident	84.5	Confident	4 Å²	4	29.5 Å²	29.5	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-55.8	-46.8	-175.7	0	0	0	0	0	114.2	N451 L457	N451-G453 PolarHBondContact OD1-N 2.89Å; G453-L457 PolarHBondContact O-N 3.27Å
454	S	85.1	Confident	84.1	Confident	34 Å²	34	28.4 Å²	28.4	24%	0.238	15%	0.15	C	C	.	.	H	α-helix	trans	-65.6	-43.2	175.1	49.3	0	0	0	0	111.6	L452 L457 E458	L452-S454 PolarHBondContact O-N 2.92Å; S454-L457 WeakPolarHBondContact O-CB 3.27Å; S454-L457 PolarHBondContact O-N 3.01Å; S454-E458 VanDerWaalsContact O-CG 3.29Å; S454-E458 WeakPolarHBondContact O-CG 3.44Å; S454-E458 PolarHBondContact O-N 3.19Å
455	V	84	Confident	83.4	Confident	3 Å²	3	26.6 Å²	26.6	2%	0.018	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-46.1	-179.2	168.5	0	0	0	0	112.7	L212 I216 L452 L457 E458 L459	L212-V455 HydrophobicContact CD1-CG2 3.82Å; L212-V455 HydrophobicContact CD2-CG2 3.44Å; L212-V455 VanDerWaalsContact CD2-CG2 3.44Å; L212-V455 HydrophobicContact CG-CG2 3.56Å; I216-V455 HydrophobicContact CD1-CB 3.95Å; I216-V455 HydrophobicContact CD1-CG1 3.31Å; I216-V455 HydrophobicContact CD1-CG2 3.47Å; I216-V455 VanDerWaalsContact CD1-CG2 3.47Å; I216-V455 HydrophobicContact CG1-CG1 3.86Å; L452-V455 WeakPolarHBondContact O-CB 3.37Å; L452-V455 PolarHBondContact O-N 3.22Å; L452-V455 VanDerWaalsContact O-N 3.13Å; V455-L457 VanDerWaalsContact C-N 3.26Å; V455-L457 PolarHBondContact O-N 2.82Å; V455-E458 PolarHBondContact O-N 3.03Å; V455-L459 HydrophobicContact CG1-CD1 3.73Å; V455-L459 HydrophobicContact CG1-CG 4.19Å; V455-L459 WeakPolarHBondContact O-CB 3.37Å; V455-L459 VanDerWaalsContact O-CG 3.26Å; V455-L459 WeakPolarHBondContact O-CG 3.32Å; V455-L459 PolarHBondContact O-N 2.98Å
456	V	87.5	Confident	82.6	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-39.7	178.8	171.4	0	0	0	0	110.2	L452 L459 K460 L467 L482 A485 L486 L489	L452-V456 HydrophobicContact CB-CG2 4.2Å; L452-V456 WeakPolarHBondContact O-CG2 3.39Å; L452-V456 PolarHBondContact O-N 3.4Å; V456-L459 PolarHBondContact O-N 3.24Å; V456-K460 HydrophobicContact CG1-CG 4.49Å; V456-K460 WeakPolarHBondContact O-CB 3.29Å; V456-K460 WeakPolarHBondContact O-CG 3.31Å; V456-K460 PolarHBondContact O-N 2.64Å; V456-L467 HydrophobicContact CG1-CD1 3.77Å; V456-L467 HydrophobicContact CG2-CD1 4.33Å; V456-L482 HydrophobicContact CG2-CD1 3.66Å; V456-A485 HydrophobicContact CB-CB 4.49Å; V456-A485 HydrophobicContact CG2-CB 3.88Å; V456-L486 HydrophobicContact CG1-CD2 3.73Å; V456-L486 HydrophobicContact CG1-CG 4.49Å; V456-L489 HydrophobicContact CB-CD1 3.78Å; V456-L489 HydrophobicContact CG1-CD1 3.55Å
457	L	88.8	Confident	81.6	Confident	6 Å²	6	25.6 Å²	25.6	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-63.8	-44.1	175.6	-175.1	62.4	0	0	0	111.9	G453 S454 V455 K461 L489 A494 L501 M508 A509 P515	G453-L457 PolarHBondContact O-N 3.27Å; S454-L457 WeakPolarHBondContact O-CB 3.27Å; S454-L457 PolarHBondContact O-N 3.01Å; V455-L457 VanDerWaalsContact C-N 3.26Å; V455-L457 PolarHBondContact O-N 2.82Å; L457-K461 WeakPolarHBondContact O-CB 3.48Å; L457-K461 PolarHBondContact O-N 2.84Å; L457-L489 HydrophobicContact CB-CD1 4.16Å; L457-L489 HydrophobicContact CB-CD2 4.09Å; L457-L489 HydrophobicContact CD1-CD2 4.43Å; L457-L489 HydrophobicContact CD2-CD2 4.42Å; L457-A494 HydrophobicContact CD1-CB 4.15Å; L457-L501 HydrophobicContact CD1-CD1 3.62Å; L457-M508 HydrophobicContact CD2-CB 3.95Å; L457-A509 HydrophobicContact CD1-CB 4.42Å; L457-A509 HydrophobicContact CD2-CB 4.35Å; L457-A509 HydrophobicContact CG-CB 3.97Å; L457-P515 HydrophobicContact CD2-CG 4.27Å
458	E	82.8	Confident	80.2	Confident	37 Å²	37	33.4 Å²	33.4	17%	0.173	17%	0.173	C	C	.	.	H	α-helix	trans	-64.2	-43.1	176.4	-70.3	-178.8	175.6	0	0	112.1	L187 M191 S454 V455 K461 L462	L187-E458 VanDerWaalsContact CD2-OE2 3.25Å; L187-E458 WeakPolarHBondContact CD2-OE2 3.47Å; M191-E458 HydrophobicContact CE-CB 3.8Å; M191-E458 HydrophobicContact CE-CG 3.3Å; M191-E458 HydrophobicContact SD-CG 4.26Å; S454-E458 VanDerWaalsContact O-CG 3.29Å; S454-E458 WeakPolarHBondContact O-CG 3.44Å; S454-E458 PolarHBondContact O-N 3.19Å; V455-E458 PolarHBondContact O-N 3.03Å; E458-K461 PolarHBondContact O-N 2.67Å; E458-L462 WeakPolarHBondContact O-CG 3.49Å; E458-L462 PolarHBondContact O-N 3.42Å; E458-L462 VanDerWaalsContact O-N 3.1Å
459	L	83.7	Confident	78.5	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-46	176.6	-73	172.4	0	0	0	111.8	I216 V455 V456 K461 L462 G463 I464 L467 L472	I216-L459 HydrophobicContact CG2-CD2 3.81Å; V455-L459 HydrophobicContact CG1-CD1 3.73Å; V455-L459 HydrophobicContact CG1-CG 4.19Å; V455-L459 WeakPolarHBondContact O-CB 3.37Å; V455-L459 VanDerWaalsContact O-CG 3.26Å; V455-L459 WeakPolarHBondContact O-CG 3.32Å; V455-L459 PolarHBondContact O-N 2.98Å; V456-L459 PolarHBondContact O-N 3.24Å; L459-K461 VanDerWaalsContact C-N 3.3Å; L459-K461 PolarHBondContact O-N 2.88Å; L459-L462 WeakPolarHBondContact O-CB 3.46Å; L459-L462 PolarHBondContact O-N 3.47Å; L459-L462 VanDerWaalsContact O-N 3.07Å; L459-G463 PolarHBondContact O-N 2.92Å; L459-I464 HydrophobicContact CB-CB 4.47Å; L459-I464 HydrophobicContact CD2-CD1 3.61Å; L459-I464 WeakPolarHBondContact O-CB 3.44Å; L459-I464 PolarHBondContact O-N 3.22Å; L459-L467 HydrophobicContact CB-CD2 3.79Å; L459-L467 HydrophobicContact CD1-CD2 3.75Å; L459-L467 HydrophobicContact CG-CD2 4.41Å; L459-L472 HydrophobicContact CD1-CD1 4.44Å
460	K	86.5	Confident	76.9	Confident	15 Å²	15	37 Å²	37	7%	0.065	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-38.7	176.6	-78	-78.7	174.3	171.5	0	111.6	V456 L462 G463 D465 L495 G499 E500 L501	V456-K460 HydrophobicContact CG1-CG 4.49Å; V456-K460 WeakPolarHBondContact O-CB 3.29Å; V456-K460 WeakPolarHBondContact O-CG 3.31Å; V456-K460 PolarHBondContact O-N 2.64Å; K460-L462 VanDerWaalsContact C-N 3.27Å; K460-L462 PolarHBondContact O-N 2.76Å; K460-G463 PolarHBondContact O-N 2.7Å; K460-G463 VanDerWaalsContact O-N 3.07Å; K460-D465 WeakPolarHBondContact CE-O 3.48Å; K460-D465 PolarHBondContact NZ-O 2.69Å; K460-L495 HydrophobicContact CB-CD2 4.46Å; K460-L495 HydrophobicContact CD-CD2 4.46Å; K460-L495 HydrophobicContact CG-CD2 4.14Å; K460-G499 WeakPolarHBondContact CE-O 3.41Å; K460-G499 PolarHBondContact NZ-O 3.48Å; K460-E500 IonicContact NZ-OE1 3.34Å; K460-L501 HydrophobicContact CB-CB 4.45Å; K460-L501 HydrophobicContact CB-CD1 4.28Å
461	K	86.2	Confident	75.5	Confident	54 Å²	54	39.7 Å²	39.7	24%	0.235	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-31.8	173.6	-179.1	63.2	171.8	-167.6	0	113.2	L457 E458 L459 G463 L501 S506 A509 E510	L457-K461 WeakPolarHBondContact O-CB 3.48Å; L457-K461 PolarHBondContact O-N 2.84Å; E458-K461 PolarHBondContact O-N 2.67Å; L459-K461 VanDerWaalsContact C-N 3.3Å; L459-K461 PolarHBondContact O-N 2.88Å; K461-G463 PolarHBondContact O-N 3.17Å; K461-L501 HydrophobicContact CB-CD2 4.17Å; K461-L501 HydrophobicContact CD-CD2 3.99Å; K461-S506 PolarHBondContact NZ-OG 3.05Å; K461-A509 HydrophobicContact CB-CB 3.86Å; K461-A509 HydrophobicContact CD-CB 4.21Å; K461-A509 HydrophobicContact CG-CB 3.89Å; K461-E510 VanDerWaalsContact CE-OE1 3.28Å; K461-E510 WeakPolarHBondContact CE-OE1 3.44Å; K461-E510 IonicContact NZ-OE1 2.78Å; K461-E510 PolarHBondContact NZ-OE1 2.85Å
462	L	81.5	Confident	74.4	Confident	28 Å²	28	38.6 Å²	38.6	15%	0.147	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	0.6	174.8	-70.1	166	0	0	0	113.6	L187 A190 M191 L220 E458 L459 K460 I464	L187-L462 HydrophobicContact CD1-CD1 4.04Å; A190-L462 HydrophobicContact CB-CD2 4.26Å; A190-L462 VanDerWaalsContact O-CD2 3.28Å; A190-L462 WeakPolarHBondContact O-CD2 3.26Å; M191-L462 HydrophobicContact CG-CD2 4.42Å; L220-L462 HydrophobicContact CD1-CD1 4.17Å; L220-L462 HydrophobicContact CD2-CD1 3.92Å; L220-L462 HydrophobicContact CD2-CD2 4.38Å; E458-L462 WeakPolarHBondContact O-CG 3.49Å; E458-L462 PolarHBondContact O-N 3.42Å; E458-L462 VanDerWaalsContact O-N 3.1Å; L459-L462 WeakPolarHBondContact O-CB 3.46Å; L459-L462 PolarHBondContact O-N 3.47Å; L459-L462 VanDerWaalsContact O-N 3.07Å; K460-L462 VanDerWaalsContact C-N 3.27Å; K460-L462 PolarHBondContact O-N 2.76Å; L462-I464 HydrophobicContact CB-CD1 4.27Å; L462-I464 HydrophobicContact CB-CG1 4.49Å
463	G	80	Confident	73	Confident	51 Å²	51	46.8 Å²	46.8	53%	0.526	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	22.4	-178.6	0	0	0	0	0	113.5	L459 K460 K461 D465	L459-G463 PolarHBondContact O-N 2.92Å; K460-G463 PolarHBondContact O-N 2.7Å; K460-G463 VanDerWaalsContact O-N 3.07Å; K461-G463 PolarHBondContact O-N 3.17Å; G463-D465 PolarHBondContact O-N 3.17Å
464	I	78	Confident	71.6	Confident	26 Å²	26	47.2 Å²	47.2	13%	0.133	23%	0.232	C	C	.	.			trans	-91.8	95.5	175.1	-63.4	165.6	0	0	0	108	L459 L462 L467 C470	L459-I464 HydrophobicContact CB-CB 4.47Å; L459-I464 HydrophobicContact CD2-CD1 3.61Å; L459-I464 WeakPolarHBondContact O-CB 3.44Å; L459-I464 PolarHBondContact O-N 3.22Å; L462-I464 HydrophobicContact CB-CD1 4.27Å; L462-I464 HydrophobicContact CB-CG1 4.49Å; I464-L467 HydrophobicContact CG2-CD2 4.24Å; I464-C470 HydrophobicContact CG2-CB 4.36Å; I464-C470 WeakPolarHBondContact CG2-SG 3.45Å
465	D	71.6	Confident	70.1	Confident	90 Å²	90	45.8 Å²	45.8	48%	0.481	22%	0.222	S	C	.	.			trans	-81.4	-44.8	-176.2	-58.5	-30.7	0	0	0	111.8	K460 G463 L467	K460-D465 WeakPolarHBondContact CE-O 3.48Å; K460-D465 PolarHBondContact NZ-O 2.69Å; G463-D465 PolarHBondContact O-N 3.17Å; D465-L467 PolarHBondContact O-N 3.13Å
466	D	67.1	Low	68.8	Low	49 Å²	49	50.7 Å²	50.7	26%	0.262	24%	0.241	S	C	.	.			trans	-94	91.6	176.6	-154.2	-26.9	0	0	0	111.4	R468 F469 C470	D466-R468 PolarHBondContact O-N 2.72Å; D466-R468 VanDerWaalsContact O-N 3.07Å; D466-R468 VanDerWaalsContact OD1-CA 3.31Å; D466-R468 WeakPolarHBondContact OD1-CA 3.36Å; D466-R468 WeakPolarHBondContact OD1-CB 3.08Å; D466-R468 WeakPolarHBondContact OD1-CG 3.48Å; D466-R468 IonicContact OD1-CZ 3.94Å; D466-R468 PolarHBondContact OD1-N 2.92Å; D466-R468 IonicContact OD1-NE 2.59Å; D466-R468 PolarHBondContact OD1-NE 3.08Å; D466-R468 IonicContact OD1-NH2 3.1Å; D466-R468 IonicContact OD2-CZ 3.24Å; D466-R468 IonicContact OD2-NE 2.79Å; D466-R468 IonicContact OD2-NH2 3.77Å; D466-R468 PolarHBondContact OD2-NH2 3.11Å; D466-F469 HydrophobicContact CB-CB 4.16Å; D466-F469 HydrophobicContact CB-CD2 3.99Å; D466-F469 VanDerWaalsContact CG-CD2 3.45Å; D466-F469 PolarHBondContact O-N 2.82Å; D466-F469 WeakPolarHBondContact OD2-CD2 3.32Å; D466-C470 PolarHBondContact O-N 2.96Å
467	L	64	Low	67.4	Low	11 Å²	11	54.7 Å²	54.7	6%	0.058	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.2	172.9	-59	169.7	0	0	0	112.1	V456 L459 I464 D465 L482 L486	V456-L467 HydrophobicContact CG1-CD1 3.77Å; V456-L467 HydrophobicContact CG2-CD1 4.33Å; L459-L467 HydrophobicContact CB-CD2 3.79Å; L459-L467 HydrophobicContact CD1-CD2 3.75Å; L459-L467 HydrophobicContact CG-CD2 4.41Å; I464-L467 HydrophobicContact CG2-CD2 4.24Å; D465-L467 PolarHBondContact O-N 3.13Å; L467-L482 HydrophobicContact CB-CD2 4.41Å; L467-L482 HydrophobicContact CD1-CD1 3.92Å; L467-L486 HydrophobicContact CD1-CD2 4.04Å
468	R	54.9	Low	66.4	Low	165 Å²	165	55.2 Å²	55.2	62%	0.623	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	4.1	174	-41.8	163.8	-64.9	-179	2.8	113.4	D466 Y476	D466-R468 PolarHBondContact O-N 2.72Å; D466-R468 VanDerWaalsContact O-N 3.07Å; D466-R468 VanDerWaalsContact OD1-CA 3.31Å; D466-R468 WeakPolarHBondContact OD1-CA 3.36Å; D466-R468 WeakPolarHBondContact OD1-CB 3.08Å; D466-R468 WeakPolarHBondContact OD1-CG 3.48Å; D466-R468 IonicContact OD1-CZ 3.94Å; D466-R468 PolarHBondContact OD1-N 2.92Å; D466-R468 IonicContact OD1-NE 2.59Å; D466-R468 PolarHBondContact OD1-NE 3.08Å; D466-R468 IonicContact OD1-NH2 3.1Å; D466-R468 IonicContact OD2-CZ 3.24Å; D466-R468 IonicContact OD2-NE 2.79Å; D466-R468 IonicContact OD2-NH2 3.77Å; D466-R468 PolarHBondContact OD2-NH2 3.11Å; R468-Y476 HydrophobicContact CB-CE1 4.07Å; R468-Y476 WeakPolarHBondContact O-CE1 3.47Å; R468-Y476 VanDerWaalsContact O-CZ 3.27Å; R468-Y476 PolarHBondContact O-OH 3.04Å
469	F	47.3	Very low	66.1	Low	157 Å²	157	57 Å²	57	69%	0.689	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-12.5	168.4	-85.3	-94.3	0	0	0	112.9	D466 N471 Y476	D466-F469 HydrophobicContact CB-CB 4.16Å; D466-F469 HydrophobicContact CB-CD2 3.99Å; D466-F469 VanDerWaalsContact CG-CD2 3.45Å; D466-F469 PolarHBondContact O-N 2.82Å; D466-F469 WeakPolarHBondContact OD2-CD2 3.32Å; F469-N471 PolarHBondContact O-N 2.82Å; F469-N471 VanDerWaalsContact O-N 3.1Å; F469-Y476 PolarHBondContact N-OH 2.84Å
470	C	50.7	Low	66	Low	12 Å²	12	61.2 Å²	61.2	8%	0.081	31%	0.308	C	S	.	.	S	Bend	trans	-53.7	124.8	162.6	-99.5	0	0	0	0	108.7	I464 D466 L472 Y476	I464-C470 HydrophobicContact CG2-CB 4.36Å; I464-C470 WeakPolarHBondContact CG2-SG 3.45Å; D466-C470 PolarHBondContact O-N 2.96Å; C470-L472 HydrophobicContact CB-CB 4.47Å; C470-L472 HydrophobicContact CB-CD1 3.97Å; C470-L472 HydrophobicContact CB-CG 4.11Å; C470-L472 PolarHBondContact O-N 3.01Å; C470-Y476 WeakPolarHBondContact O-CE2 3.49Å; C470-Y476 PolarHBondContact O-OH 3.49Å
471	N	52.9	Low	65.8	Low	56 Å²	56	61 Å²	61	30%	0.299	31%	0.308	S	S	.	.	S	Bend	trans	-59.2	12.2	179	-84.4	-51.9	0	0	0	114.1	K222 E223 Y248 F469 R473	K222-N471 HydrophobicContact CD-CB 4.29Å; E223-N471 PolarHBondContact OE1-ND2 3.47Å; E223-N471 VanDerWaalsContact OE1-ND2 3.11Å; Y248-N471 WeakPolarHBondContact CE2-O 3.17Å; Y248-N471 PolarHBondContact OH-O 2.82Å; F469-N471 PolarHBondContact O-N 2.82Å; F469-N471 VanDerWaalsContact O-N 3.1Å; N471-R473 PolarHBondContact O-N 3.33Å
472	L	57.6	Low	65.8	Low	8 Å²	8	59.4 Å²	59.4	4%	0.042	30%	0.302	C	S	.	.			trans	-71.7	75.7	175.1	-60.1	168.9	0	0	0	109.5	D215 L459 C470 A474 L475 Y476	D215-L472 WeakPolarHBondContact O-CD2 3.41Å; L459-L472 HydrophobicContact CD1-CD1 4.44Å; C470-L472 HydrophobicContact CB-CB 4.47Å; C470-L472 HydrophobicContact CB-CD1 3.97Å; C470-L472 HydrophobicContact CB-CG 4.11Å; C470-L472 PolarHBondContact O-N 3.01Å; L472-A474 PolarHBondContact O-N 2.84Å; L472-L475 HydrophobicContact CB-CB 4.34Å; L472-L475 HydrophobicContact CB-CD1 3.51Å; L472-L475 HydrophobicContact CD1-CD1 3.26Å; L472-L475 HydrophobicContact CG-CD1 3.96Å; L472-L475 PolarHBondContact O-N 3.46Å; L472-Y476 WeakPolarHBondContact O-CD2 3.33Å; L472-Y476 VanDerWaalsContact O-CE2 3.3Å; L472-Y476 WeakPolarHBondContact O-CE2 3.35Å
473	R	57.6	Low	66	Low	175 Å²	175	63.6 Å²	63.6	66%	0.66	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.8	-29.4	174.3	-86.2	-175	173.9	159.8	-0.9	113.3	N471	N471-R473 PolarHBondContact O-N 3.33Å
474	A	55.3	Low	66.2	Low	12 Å²	12	65 Å²	65	10%	0.099	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-32.6	179	0	0	0	0	0	114.7	I447 L448 L472 Y476 S477	I447-A474 HydrophobicContact CG2-CB 3.39Å; L448-A474 WeakPolarHBondContact CD2-O 3.2Å; L472-A474 PolarHBondContact O-N 2.84Å; A474-Y476 VanDerWaalsContact C-N 3.29Å; A474-Y476 PolarHBondContact O-N 2.52Å; A474-S477 PolarHBondContact O-N 2.75Å
475	L	55	Low	66.7	Low	4 Å²	4	63.8 Å²	63.8	2%	0.021	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-64.6	-35.3	177.7	-97.1	125.4	0	0	0	112.1	I447 L452 L472 S477 A478 L482	I447-L475 HydrophobicContact CD1-CD1 3.52Å; I447-L475 HydrophobicContact CD1-CG 3.7Å; I447-L475 HydrophobicContact CG1-CG 4.41Å; L452-L475 HydrophobicContact CD1-CD2 4.12Å; L472-L475 HydrophobicContact CB-CB 4.34Å; L472-L475 HydrophobicContact CB-CD1 3.51Å; L472-L475 HydrophobicContact CD1-CD1 3.26Å; L472-L475 HydrophobicContact CG-CD1 3.96Å; L472-L475 PolarHBondContact O-N 3.46Å; L475-S477 PolarHBondContact O-N 3.32Å; L475-A478 PolarHBondContact O-N 3.22Å; L475-L482 HydrophobicContact CD2-CD1 3.97Å; L475-L482 HydrophobicContact CD2-CD2 4.38Å
476	Y	56.5	Low	67.6	Low	107 Å²	107	62.1 Å²	62.1	42%	0.42	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-62.1	-24.7	177.4	-57	-86.2	0	0	0	113.3	R468 F469 C470 L472 A474 A478	R468-Y476 HydrophobicContact CB-CE1 4.07Å; R468-Y476 WeakPolarHBondContact O-CE1 3.47Å; R468-Y476 VanDerWaalsContact O-CZ 3.27Å; R468-Y476 PolarHBondContact O-OH 3.04Å; F469-Y476 PolarHBondContact N-OH 2.84Å; C470-Y476 WeakPolarHBondContact O-CE2 3.49Å; C470-Y476 PolarHBondContact O-OH 3.49Å; L472-Y476 WeakPolarHBondContact O-CD2 3.33Å; L472-Y476 VanDerWaalsContact O-CE2 3.3Å; L472-Y476 WeakPolarHBondContact O-CE2 3.35Å; A474-Y476 VanDerWaalsContact C-N 3.29Å; A474-Y476 PolarHBondContact O-N 2.52Å; Y476-A478 VanDerWaalsContact C-N 3.27Å; Y476-A478 PolarHBondContact O-N 3.18Å
477	S	57.3	Low	68.7	Low	84 Å²	84	62.2 Å²	62.2	59%	0.587	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-78.6	-9.1	-176.2	-56.1	0	0	0	0	113.5	A474 L475	A474-S477 PolarHBondContact O-N 2.75Å; L475-S477 PolarHBondContact O-N 3.32Å
478	A	68	Low	69.9	Low	16 Å²	16	62.2 Å²	62.2	13%	0.132	30%	0.295	C	S	.	.			trans	-135.6	63.6	-179.8	0	0	0	0	0	112.9	L448 L475 Y476 E480 T481 L482	L448-A478 HydrophobicContact CD2-CB 4.21Å; L475-A478 PolarHBondContact O-N 3.22Å; Y476-A478 VanDerWaalsContact C-N 3.27Å; Y476-A478 PolarHBondContact O-N 3.18Å; A478-E480 VanDerWaalsContact C-N 3.27Å; A478-E480 PolarHBondContact O-N 3.37Å; A478-T481 PolarHBondContact O-N 3.45Å; A478-T481 VanDerWaalsContact O-N 3.12Å; A478-L482 PolarHBondContact O-N 2.64Å
479	P	76.4	Confident	71.7	Confident	74 Å²	74	54.4 Å²	54.4	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-61.2	-34.2	-176.5	25.4	-34.7	0	0	0	112.9	L482 M483	P479-L482 PolarHBondContact O-N 2.8Å; P479-M483 HydrophobicContact CB-CE 4.33Å; P479-M483 WeakPolarHBondContact O-CE 2.99Å; P479-M483 WeakPolarHBondContact O-CG 3.28Å; P479-M483 PolarHBondContact O-N 3.28Å
480	E	81.8	Confident	74	Confident	92 Å²	92	48.4 Å²	48.4	43%	0.43	24%	0.24	S	C	.	.	H	α-helix	trans	-60.1	-46.3	174.8	-67.1	-175	-172.4	0	0	111.7	P394 R395 A478 L482 M483 R484	P394-E480 HydrophobicContact CB-CB 4.42Å; P394-E480 HydrophobicContact CG-CB 4.37Å; R395-E480 IonicContact NE-OE2 3.34Å; A478-E480 VanDerWaalsContact C-N 3.27Å; A478-E480 PolarHBondContact O-N 3.37Å; E480-L482 PolarHBondContact O-N 3.03Å; E480-M483 PolarHBondContact O-N 3.2Å; E480-R484 WeakPolarHBondContact O-CG 3.5Å; E480-R484 PolarHBondContact O-N 2.88Å
481	T	83.2	Confident	76	Confident	9 Å²	9	49.8 Å²	49.8	6%	0.055	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-40.9	179.6	-56.3	0	0	0	0	111.7	Y392 L452 A478 R484 A485	Y392-T481 HydrophobicContact CD1-CG2 3.77Å; Y392-T481 HydrophobicContact CE1-CG2 3.81Å; L452-T481 HydrophobicContact CB-CG2 4.47Å; L452-T481 HydrophobicContact CD1-CG2 3.75Å; L452-T481 HydrophobicContact CG-CG2 3.72Å; A478-T481 PolarHBondContact O-N 3.45Å; A478-T481 VanDerWaalsContact O-N 3.12Å; T481-R484 PolarHBondContact O-N 3.36Å; T481-A485 PolarHBondContact O-N 2.99Å
482	L	84.6	Confident	77.9	Confident	22 Å²	22	47.2 Å²	47.2	12%	0.115	23%	0.231	C	C	.	.	H	α-helix	trans	-64.4	-46.3	176.3	179.2	59.2	0	0	0	111.7	V456 L467 L475 A478 P479 E480 R484 A485 L486	V456-L482 HydrophobicContact CG2-CD1 3.66Å; L467-L482 HydrophobicContact CB-CD2 4.41Å; L467-L482 HydrophobicContact CD1-CD1 3.92Å; L475-L482 HydrophobicContact CD2-CD1 3.97Å; L475-L482 HydrophobicContact CD2-CD2 4.38Å; A478-L482 PolarHBondContact O-N 2.64Å; P479-L482 PolarHBondContact O-N 2.8Å; E480-L482 PolarHBondContact O-N 3.03Å; L482-R484 VanDerWaalsContact C-N 3.3Å; L482-R484 PolarHBondContact O-N 3.03Å; L482-A485 WeakPolarHBondContact O-CB 3.43Å; L482-A485 PolarHBondContact O-N 3.44Å; L482-A485 VanDerWaalsContact O-N 3.16Å; L482-L486 HydrophobicContact CD1-CD1 4.49Å; L482-L486 HydrophobicContact CG-CD1 4.3Å; L482-L486 WeakPolarHBondContact O-CG 3.46Å; L482-L486 PolarHBondContact O-N 3.38Å
483	M	85.7	Confident	79.6	Confident	116 Å²	116	48.2 Å²	48.2	57%	0.571	24%	0.242	S	C	*	.	H	α-helix	trans	-59.5	-40.6	176.7	-76.1	-173.3	-81.9	0	0	111.9	P479 E480 L486 E487	P479-M483 HydrophobicContact CB-CE 4.33Å; P479-M483 WeakPolarHBondContact O-CE 2.99Å; P479-M483 WeakPolarHBondContact O-CG 3.28Å; P479-M483 PolarHBondContact O-N 3.28Å; E480-M483 PolarHBondContact O-N 3.2Å; M483-L486 PolarHBondContact O-N 3.23Å; M483-E487 WeakPolarHBondContact O-CB 3.36Å; M483-E487 PolarHBondContact O-N 3.44Å
484	R	85.7	Confident	81.4	Confident	81 Å²	81	39.9 Å²	39.9	31%	0.306	21%	0.211	S	C	.	.	H	α-helix	trans	-65.4	-37.7	175.3	-68	-56.7	-173.8	-164.7	-5.3	113.1	P394 E480 T481 L482 E487 I488	P394-R484 HydrophobicContact CB-CG 4.23Å; P394-R484 PolarHBondContact O-NE 2.74Å; E480-R484 WeakPolarHBondContact O-CG 3.5Å; E480-R484 PolarHBondContact O-N 2.88Å; T481-R484 PolarHBondContact O-N 3.36Å; L482-R484 VanDerWaalsContact C-N 3.3Å; L482-R484 PolarHBondContact O-N 3.03Å; R484-E487 WeakPolarHBondContact CD-OE2 3.39Å; R484-E487 IonicContact CZ-OE2 2.84Å; R484-E487 IonicContact NE-OE2 3.53Å; R484-E487 IonicContact NH1-OE1 3.19Å; R484-E487 IonicContact NH1-OE2 3.49Å; R484-E487 PolarHBondContact NH1-OE2 3.07Å; R484-E487 PolarHBondContact O-N 2.81Å; R484-I488 WeakPolarHBondContact O-CB 3.46Å; R484-I488 VanDerWaalsContact O-CG1 3.29Å; R484-I488 WeakPolarHBondContact O-CG1 3.33Å; R484-I488 PolarHBondContact O-N 3.46Å
485	A	88.1	Confident	83.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-45.6	175.3	0	0	0	0	0	111.4	L452 V456 T481 L482 I488 L489	L452-A485 HydrophobicContact CB-CB 3.91Å; V456-A485 HydrophobicContact CB-CB 4.49Å; V456-A485 HydrophobicContact CG2-CB 3.88Å; T481-A485 PolarHBondContact O-N 2.99Å; L482-A485 WeakPolarHBondContact O-CB 3.43Å; L482-A485 PolarHBondContact O-N 3.44Å; L482-A485 VanDerWaalsContact O-N 3.16Å; A485-I488 PolarHBondContact O-N 3.33Å; A485-L489 WeakPolarHBondContact O-CB 3.49Å; A485-L489 VanDerWaalsContact O-CG 3.3Å; A485-L489 WeakPolarHBondContact O-CG 3.47Å; A485-L489 PolarHBondContact O-N 3.43Å
486	L	89.8	Confident	85	Confident	54 Å²	54	42.3 Å²	42.3	28%	0.283	22%	0.222	S	C	.	.	H	α-helix	trans	-61.4	-44.9	175.2	-68.7	169.1	0	0	0	111.8	V456 L467 L482 M483 I488 L489 N490 L495	V456-L486 HydrophobicContact CG1-CD2 3.73Å; V456-L486 HydrophobicContact CG1-CG 4.49Å; L467-L486 HydrophobicContact CD1-CD2 4.04Å; L482-L486 HydrophobicContact CD1-CD1 4.49Å; L482-L486 HydrophobicContact CG-CD1 4.3Å; L482-L486 WeakPolarHBondContact O-CG 3.46Å; L482-L486 PolarHBondContact O-N 3.38Å; M483-L486 PolarHBondContact O-N 3.23Å; L486-I488 PolarHBondContact O-N 3.07Å; L486-L489 PolarHBondContact O-N 2.72Å; L486-N490 WeakPolarHBondContact O-CB 3.3Å; L486-N490 PolarHBondContact O-N 3.47Å; L486-L495 HydrophobicContact CD2-CD1 3.65Å
487	E	90.1	Very high	86.5	Confident	51 Å²	51	43.4 Å²	43.4	24%	0.238	24%	0.236	C	C	.	.	H	α-helix	trans	-58.5	-47.7	176.8	-179.3	-171.6	-171.4	0	0	111.7	R397 M483 R484 L489 N490 Y491	R397-E487 IonicContact NH1-OE1 2.82Å; M483-E487 WeakPolarHBondContact O-CB 3.36Å; M483-E487 PolarHBondContact O-N 3.44Å; R484-E487 WeakPolarHBondContact CD-OE2 3.39Å; R484-E487 IonicContact CZ-OE2 2.84Å; R484-E487 IonicContact NE-OE2 3.53Å; R484-E487 IonicContact NH1-OE1 3.19Å; R484-E487 IonicContact NH1-OE2 3.49Å; R484-E487 PolarHBondContact NH1-OE2 3.07Å; R484-E487 PolarHBondContact O-N 2.81Å; E487-L489 PolarHBondContact O-N 2.88Å; E487-N490 PolarHBondContact O-N 3.14Å; E487-Y491 HydrophobicContact CG-CD2 3.81Å; E487-Y491 HydrophobicContact CG-CE2 3.39Å; E487-Y491 WeakPolarHBondContact O-CD2 3.47Å; E487-Y491 PolarHBondContact O-N 3.3Å; E487-Y491 WeakPolarHBondContact OE1-CE2 3.35Å
488	I	89.7	Confident	88	Confident	12 Å²	12	46.7 Å²	46.7	6%	0.062	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-42.7	178.5	-70.5	167.6	0	0	0	110.8	R484 A485 L486 Y491 L492	R484-I488 WeakPolarHBondContact O-CB 3.46Å; R484-I488 VanDerWaalsContact O-CG1 3.29Å; R484-I488 WeakPolarHBondContact O-CG1 3.33Å; R484-I488 PolarHBondContact O-N 3.46Å; A485-I488 PolarHBondContact O-N 3.33Å; L486-I488 PolarHBondContact O-N 3.07Å; I488-Y491 PolarHBondContact O-N 3.4Å; I488-L492 HydrophobicContact CG2-CD1 3.86Å; I488-L492 HydrophobicContact CG2-CG 4.44Å; I488-L492 VanDerWaalsContact O-CG 3.27Å; I488-L492 WeakPolarHBondContact O-CG 3.15Å; I488-L492 PolarHBondContact O-N 3.39Å
489	L	93	Very high	88.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-37.9	179.6	-71.4	175.2	0	0	0	112.5	V456 L457 A485 L486 E487 L492 G493 A494 L495 P515	V456-L489 HydrophobicContact CB-CD1 3.78Å; V456-L489 HydrophobicContact CG1-CD1 3.55Å; L457-L489 HydrophobicContact CB-CD1 4.16Å; L457-L489 HydrophobicContact CB-CD2 4.09Å; L457-L489 HydrophobicContact CD1-CD2 4.43Å; L457-L489 HydrophobicContact CD2-CD2 4.42Å; A485-L489 WeakPolarHBondContact O-CB 3.49Å; A485-L489 VanDerWaalsContact O-CG 3.3Å; A485-L489 WeakPolarHBondContact O-CG 3.47Å; A485-L489 PolarHBondContact O-N 3.43Å; L486-L489 PolarHBondContact O-N 2.72Å; E487-L489 PolarHBondContact O-N 2.88Å; L489-L492 PolarHBondContact O-N 3.41Å; L489-G493 PolarHBondContact O-N 3.49Å; L489-A494 HydrophobicContact CB-CB 4.27Å; L489-A494 HydrophobicContact CD2-CB 4.01Å; L489-A494 WeakPolarHBondContact O-CB 3.32Å; L489-A494 PolarHBondContact O-N 3.32Å; L489-L495 HydrophobicContact CB-CD1 3.72Å; L489-L495 HydrophobicContact CB-CG 3.85Å; L489-L495 HydrophobicContact CD1-CD1 3.94Å; L489-L495 HydrophobicContact CD1-CG 4.4Å; L489-L495 PolarHBondContact O-N 3.33Å; L489-P515 HydrophobicContact CD2-CB 3.82Å; L489-P515 HydrophobicContact CD2-CG 3.85Å
490	N	94.1	Very high	89.5	Confident	31 Å²	31	47 Å²	47	17%	0.166	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-47.7	171.8	176.9	-74.2	0	0	0	110.6	L486 E487 L492 G493 D496 D497 Q710	L486-N490 WeakPolarHBondContact O-CB 3.3Å; L486-N490 PolarHBondContact O-N 3.47Å; E487-N490 PolarHBondContact O-N 3.14Å; N490-L492 VanDerWaalsContact C-N 3.27Å; N490-L492 PolarHBondContact O-N 2.82Å; N490-G493 WeakPolarHBondContact O-CA 3.36Å; N490-G493 PolarHBondContact O-N 3.48Å; N490-D496 PolarHBondContact ND2-O 3.46Å; N490-D497 PolarHBondContact ND2-OD1 3.31Å; N490-Q710 PolarHBondContact OD1-NE2 3.44Å
491	Y	93.1	Very high	90	Very high	42 Å²	42	44.8 Å²	44.8	17%	0.165	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-32.5	176.7	-75.3	-44.7	0	0	0	113.9	E487 I488 G493 F644 Q710 Y711	E487-Y491 HydrophobicContact CG-CD2 3.81Å; E487-Y491 HydrophobicContact CG-CE2 3.39Å; E487-Y491 WeakPolarHBondContact O-CD2 3.47Å; E487-Y491 PolarHBondContact O-N 3.3Å; E487-Y491 WeakPolarHBondContact OE1-CE2 3.35Å; I488-Y491 PolarHBondContact O-N 3.4Å; Y491-G493 PolarHBondContact O-N 3.32Å; Y491-F644 WeakPolarHBondContact O-CZ 3.36Å; Y491-Q710 HydrophobicContact CD1-CB 4.45Å; Y491-Q710 HydrophobicContact CD1-CG 4.05Å; Y491-Q710 HydrophobicContact CE1-CG 4.06Å; Y491-Y711 HydrophobicContact CD1-CD2 4.3Å; Y491-Y711 AromaticContact CD2-CD2 3.7Å; Y491-Y711 HydrophobicContact CD2-CD2 3.7Å; Y491-Y711 HydrophobicContact CD2-CE2 4.19Å; Y491-Y711 HydrophobicContact CE1-CD2 4.3Å; Y491-Y711 AromaticContact CE2-CD2 3.64Å; Y491-Y711 HydrophobicContact CE2-CD2 3.64Å; Y491-Y711 HydrophobicContact CE2-CE2 4Å; Y491-Y711 HydrophobicContact CG-CD2 4.04Å; Y491-Y711 AromaticContact CZ-CD2 3.98Å
492	L	93.8	Very high	90.5	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-12.3	174.3	-70.6	167.9	0	0	0	112.5	I488 L489 N490 A494 M508 P515 Q516 K519 F644	I488-L492 HydrophobicContact CG2-CD1 3.86Å; I488-L492 HydrophobicContact CG2-CG 4.44Å; I488-L492 VanDerWaalsContact O-CG 3.27Å; I488-L492 WeakPolarHBondContact O-CG 3.15Å; I488-L492 PolarHBondContact O-N 3.39Å; L489-L492 PolarHBondContact O-N 3.41Å; N490-L492 VanDerWaalsContact C-N 3.27Å; N490-L492 PolarHBondContact O-N 2.82Å; L492-A494 VanDerWaalsContact C-N 3.3Å; L492-M508 HydrophobicContact CB-CE 4.31Å; L492-M508 HydrophobicContact CD1-CE 4.33Å; L492-P515 HydrophobicContact CD1-CB 3.57Å; L492-Q516 HydrophobicContact CD1-CG 4.45Å; L492-K519 HydrophobicContact CD2-CB 3.97Å; L492-K519 HydrophobicContact CD2-CG 3.96Å; L492-K519 WeakPolarHBondContact O-CD 3.28Å; L492-K519 WeakPolarHBondContact O-CE 3.37Å; L492-K519 PolarHBondContact O-NZ 2.9Å; L492-F644 HydrophobicContact CD2-CE1 3.77Å; L492-F644 HydrophobicContact CD2-CZ 4.04Å; L492-F644 HydrophobicContact CG-CZ 4.47Å
493	G	93.5	Very high	90.9	Very high	28 Å²	28	49.6 Å²	49.6	29%	0.289	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	19	-172	0	0	0	0	0	113.2	L489 N490 Y491 S502	L489-G493 PolarHBondContact O-N 3.49Å; N490-G493 WeakPolarHBondContact O-CA 3.36Å; N490-G493 PolarHBondContact O-N 3.48Å; Y491-G493 PolarHBondContact O-N 3.32Å; G493-S502 PolarHBondContact O-OG 2.97Å
494	A	94.2	Very high	91.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-79.5	-30.1	176.8	0	0	0	0	0	112	L457 L489 L492 S502 G505 M508	L457-A494 HydrophobicContact CD1-CB 4.15Å; L489-A494 HydrophobicContact CB-CB 4.27Å; L489-A494 HydrophobicContact CD2-CB 4.01Å; L489-A494 WeakPolarHBondContact O-CB 3.32Å; L489-A494 PolarHBondContact O-N 3.32Å; L492-A494 VanDerWaalsContact C-N 3.3Å; A494-S502 PolarHBondContact O-N 2.96Å; A494-S502 PolarHBondContact O-OG 2.91Å; A494-G505 WeakPolarHBondContact O-CA 3.36Å; A494-M508 HydrophobicContact CB-CE 3.83Å; A494-M508 HydrophobicContact CB-SD 3.81Å
495	L	93.7	Very high	91.7	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-117.2	150.7	170.4	-58.1	175.7	0	0	0	109.3	K460 L486 L489 E500 L501	K460-L495 HydrophobicContact CB-CD2 4.46Å; K460-L495 HydrophobicContact CD-CD2 4.46Å; K460-L495 HydrophobicContact CG-CD2 4.14Å; L486-L495 HydrophobicContact CD2-CD1 3.65Å; L489-L495 HydrophobicContact CB-CD1 3.72Å; L489-L495 HydrophobicContact CB-CG 3.85Å; L489-L495 HydrophobicContact CD1-CD1 3.94Å; L489-L495 HydrophobicContact CD1-CG 4.4Å; L489-L495 PolarHBondContact O-N 3.33Å; L495-E500 WeakPolarHBondContact CA-O 3.22Å; L495-E500 WeakPolarHBondContact CD2-O 3.4Å; L495-L501 HydrophobicContact CD2-CD1 4.28Å
496	D	91.8	Very high	91.9	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.332	25%	0.245	S	C	.	.			trans	-80.4	-174	166.7	59.5	22.2	0	0	0	111.7	N490 E498 G499 E500	N490-D496 PolarHBondContact ND2-O 3.46Å; D496-E498 VanDerWaalsContact C-N 3.28Å; D496-E498 PolarHBondContact OD1-N 2.82Å; D496-G499 PolarHBondContact O-N 3.22Å; D496-G499 PolarHBondContact OD1-N 3.29Å; D496-E500 PolarHBondContact N-O 2.92Å; D496-E500 VanDerWaalsContact N-O 3.1Å; D496-E500 PolarHBondContact OD1-N 2.85Å
497	D	89.6	Confident	92	Very high	131 Å²	131	43.6 Å²	43.6	70%	0.701	24%	0.243	S	C	*	.	S	Bend	trans	-75	-20.9	-178	-69.2	-23.2	0	0	0	112.1	N490 G499	N490-D497 PolarHBondContact ND2-OD1 3.31Å; D497-G499 VanDerWaalsContact C-N 3.31Å
498	E	88.2	Confident	92.2	Very high	152 Å²	152	41.2 Å²	41.2	71%	0.71	23%	0.232	S	C	*	.	S	Bend	trans	-78	-16	170.8	-65.1	72.9	-160.4	0	0	112.6	D496 E500	D496-E498 VanDerWaalsContact C-N 3.28Å; D496-E498 PolarHBondContact OD1-N 2.82Å; E498-E500 HydrophobicContact CB-CG 4.45Å
499	G	86.4	Confident	92.2	Very high	18 Å²	18	41 Å²	41	19%	0.186	23%	0.232	C	C	.	.	S	Bend	trans	88.1	16.9	180	0	0	0	0	0	113.7	K460 D496 D497	K460-G499 WeakPolarHBondContact CE-O 3.41Å; K460-G499 PolarHBondContact NZ-O 3.48Å; D496-G499 PolarHBondContact O-N 3.22Å; D496-G499 PolarHBondContact OD1-N 3.29Å; D497-G499 VanDerWaalsContact C-N 3.31Å
500	E	89.8	Confident	92.1	Very high	79 Å²	79	43.3 Å²	43.3	37%	0.369	24%	0.243	S	C	.	.			trans	-87.2	155	175.8	-63.9	-55	136.9	0	0	111.7	K460 L495 D496 E498 S502	K460-E500 IonicContact NZ-OE1 3.34Å; L495-E500 WeakPolarHBondContact CA-O 3.22Å; L495-E500 WeakPolarHBondContact CD2-O 3.4Å; D496-E500 PolarHBondContact N-O 2.92Å; D496-E500 VanDerWaalsContact N-O 3.1Å; D496-E500 PolarHBondContact OD1-N 2.85Å; E498-E500 HydrophobicContact CB-CG 4.45Å; E500-S502 PolarHBondContact O-N 3.12Å
501	L	92.1	Very high	91.8	Very high	45 Å²	45	42.1 Å²	42.1	24%	0.236	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-72.2	114.9	-176.4	-171.7	69.5	0	0	0	111	L457 K460 K461 L495	L457-L501 HydrophobicContact CD1-CD1 3.62Å; K460-L501 HydrophobicContact CB-CB 4.45Å; K460-L501 HydrophobicContact CB-CD1 4.28Å; K461-L501 HydrophobicContact CB-CD2 4.17Å; K461-L501 HydrophobicContact CD-CD2 3.99Å; L495-L501 HydrophobicContact CD2-CD1 4.28Å
502	S	94.5	Very high	91.5	Very high	17 Å²	17	40.6 Å²	40.6	12%	0.119	23%	0.232	C	C	.	.			trans	-71.5	161.4	177.5	87.6	0	0	0	0	111.5	G493 A494 E500 L504 G505 S506	G493-S502 PolarHBondContact O-OG 2.97Å; A494-S502 PolarHBondContact O-N 2.96Å; A494-S502 PolarHBondContact O-OG 2.91Å; E500-S502 PolarHBondContact O-N 3.12Å; S502-L504 PolarHBondContact O-N 3.26Å; S502-L504 PolarHBondContact OG-N 3.46Å; S502-G505 WeakPolarHBondContact O-CA 3.47Å; S502-G505 PolarHBondContact O-N 2.98Å; S502-G505 PolarHBondContact OG-N 2.97Å; S502-S506 PolarHBondContact O-N 2.78Å
503	P	92.8	Very high	91.2	Very high	115 Å²	115	41.1 Å²	41.1	75%	0.747	24%	0.235	S	C	*	.	H	α-helix	trans	-55.4	-36.2	172.2	-26.2	34.9	0	0	0	112.7	V507	P503-V507 WeakPolarHBondContact O-CG2 3.38Å; P503-V507 PolarHBondContact O-N 3.19Å
504	L	93.7	Very high	90.9	Very high	45 Å²	45	44 Å²	44	24%	0.236	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-44.7	174.2	175.3	64.8	0	0	0	111.1	S502 S506 V507 M508 K519 I522	S502-L504 PolarHBondContact O-N 3.26Å; S502-L504 PolarHBondContact OG-N 3.46Å; L504-S506 VanDerWaalsContact C-N 3.3Å; L504-S506 PolarHBondContact O-N 3.43Å; L504-V507 PolarHBondContact O-N 3.03Å; L504-M508 HydrophobicContact CD1-CG 4.3Å; L504-M508 HydrophobicContact CD1-SD 4.32Å; L504-M508 HydrophobicContact CD2-SD 4.27Å; L504-M508 HydrophobicContact CG-CG 4.32Å; L504-M508 HydrophobicContact CG-SD 3.83Å; L504-M508 VanDerWaalsContact O-CG 3.27Å; L504-M508 WeakPolarHBondContact O-CG 3.37Å; L504-M508 PolarHBondContact O-N 2.95Å; L504-K519 HydrophobicContact CD2-CD 3.94Å; L504-I522 HydrophobicContact CD1-CB 4.36Å; L504-I522 HydrophobicContact CD1-CD1 4.02Å; L504-I522 HydrophobicContact CD1-CG2 3.73Å
505	G	93.4	Very high	90.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-41.1	176.3	0	0	0	0	0	112.7	A494 S502 V507 M508 A509	A494-G505 WeakPolarHBondContact O-CA 3.36Å; S502-G505 WeakPolarHBondContact O-CA 3.47Å; S502-G505 PolarHBondContact O-N 2.98Å; S502-G505 PolarHBondContact OG-N 2.97Å; G505-V507 VanDerWaalsContact C-N 3.32Å; G505-V507 PolarHBondContact O-N 2.99Å; G505-M508 WeakPolarHBondContact O-CB 3.42Å; G505-M508 PolarHBondContact O-N 3.38Å; G505-M508 VanDerWaalsContact O-N 3.16Å; G505-A509 WeakPolarHBondContact O-CB 3.48Å; G505-A509 PolarHBondContact O-N 2.73Å
506	S	91.8	Very high	90.8	Very high	38 Å²	38	45 Å²	45	27%	0.266	25%	0.248	S	C	.	.	H	α-helix	trans	-61.2	-38.6	176.1	-173.1	0	0	0	0	112.7	K461 S502 L504	K461-S506 PolarHBondContact NZ-OG 3.05Å; S502-S506 PolarHBondContact O-N 2.78Å; L504-S506 VanDerWaalsContact C-N 3.3Å; L504-S506 PolarHBondContact O-N 3.43Å
507	V	92.8	Very high	90.9	Very high	42 Å²	42	42.7 Å²	42.7	26%	0.255	24%	0.236	S	C	.	.	H	α-helix	trans	-72	-39.2	173.7	176.3	0	0	0	0	110.9	P503 L504 G505 A509 E510 F511 I522 L617	P503-V507 WeakPolarHBondContact O-CG2 3.38Å; P503-V507 PolarHBondContact O-N 3.19Å; L504-V507 PolarHBondContact O-N 3.03Å; G505-V507 VanDerWaalsContact C-N 3.32Å; G505-V507 PolarHBondContact O-N 2.99Å; V507-A509 VanDerWaalsContact C-N 3.33Å; V507-A509 PolarHBondContact O-N 2.7Å; V507-E510 PolarHBondContact O-N 3.45Å; V507-F511 HydrophobicContact CG1-CE2 4.25Å; V507-F511 WeakPolarHBondContact O-CD2 3.45Å; V507-I522 HydrophobicContact CB-CD1 4.22Å; V507-I522 HydrophobicContact CG1-CD1 3.62Å; V507-I522 HydrophobicContact CG1-CG1 4.1Å; V507-L617 HydrophobicContact CG1-CD1 4.03Å
508	M	94.1	Very high	91.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-61.8	-38.8	177.4	-73.2	170.9	57.9	0	0	112.4	L457 L492 A494 L504 G505 E510 F511 P515 S518 K519 I522	L457-M508 HydrophobicContact CD2-CB 3.95Å; L492-M508 HydrophobicContact CB-CE 4.31Å; L492-M508 HydrophobicContact CD1-CE 4.33Å; A494-M508 HydrophobicContact CB-CE 3.83Å; A494-M508 HydrophobicContact CB-SD 3.81Å; L504-M508 HydrophobicContact CD1-CG 4.3Å; L504-M508 HydrophobicContact CD1-SD 4.32Å; L504-M508 HydrophobicContact CD2-SD 4.27Å; L504-M508 HydrophobicContact CG-CG 4.32Å; L504-M508 HydrophobicContact CG-SD 3.83Å; L504-M508 VanDerWaalsContact O-CG 3.27Å; L504-M508 WeakPolarHBondContact O-CG 3.37Å; L504-M508 PolarHBondContact O-N 2.95Å; G505-M508 WeakPolarHBondContact O-CB 3.42Å; G505-M508 PolarHBondContact O-N 3.38Å; G505-M508 VanDerWaalsContact O-N 3.16Å; M508-E510 VanDerWaalsContact C-N 3.27Å; M508-E510 PolarHBondContact O-N 2.56Å; M508-F511 PolarHBondContact O-N 3.3Å; M508-P515 HydrophobicContact CE-CB 3.92Å; M508-P515 VanDerWaalsContact CE-O 3.27Å; M508-P515 WeakPolarHBondContact CE-O 3.4Å; M508-S518 PolarHBondContact O-OG 3.08Å; M508-K519 HydrophobicContact CE-CB 4.09Å; M508-K519 HydrophobicContact SD-CB 4.31Å; M508-I522 HydrophobicContact CB-CD1 4.29Å; M508-I522 HydrophobicContact CG-CD1 3.47Å; M508-I522 VanDerWaalsContact CG-CD1 3.47Å
509	A	90.7	Very high	91.5	Very high	7 Å²	7	30.9 Å²	30.9	6%	0.058	18%	0.176	C	C	.	.	H	α-helix	trans	-65.5	-25.7	-179.3	0	0	0	0	0	113.6	L457 K461 G505 V507 F511	L457-A509 HydrophobicContact CD1-CB 4.42Å; L457-A509 HydrophobicContact CD2-CB 4.35Å; L457-A509 HydrophobicContact CG-CB 3.97Å; K461-A509 HydrophobicContact CB-CB 3.86Å; K461-A509 HydrophobicContact CD-CB 4.21Å; K461-A509 HydrophobicContact CG-CB 3.89Å; G505-A509 WeakPolarHBondContact O-CB 3.48Å; G505-A509 PolarHBondContact O-N 2.73Å; V507-A509 VanDerWaalsContact C-N 3.33Å; V507-A509 PolarHBondContact O-N 2.7Å; A509-F511 PolarHBondContact O-N 3.34Å
510	E	89	Confident	91.9	Very high	49 Å²	49	30 Å²	30	23%	0.229	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.4	176.9	-67	-68.2	148	0	0	112.7	K461 V507 M508 R616 L617	K461-E510 VanDerWaalsContact CE-OE1 3.28Å; K461-E510 WeakPolarHBondContact CE-OE1 3.44Å; K461-E510 IonicContact NZ-OE1 2.78Å; K461-E510 PolarHBondContact NZ-OE1 2.85Å; V507-E510 PolarHBondContact O-N 3.45Å; M508-E510 VanDerWaalsContact C-N 3.27Å; M508-E510 PolarHBondContact O-N 2.56Å; E510-R616 IonicContact OE2-CZ 2.73Å; E510-R616 IonicContact OE2-NH2 3.28Å; E510-R616 PolarHBondContact OE2-NH2 2.67Å; E510-L617 HydrophobicContact CB-CD1 3.99Å; E510-L617 HydrophobicContact CG-CD1 4.41Å; E510-L617 HydrophobicContact CG-CD2 4.3Å
511	F	89.4	Confident	92.2	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.026	15%	0.149	C	C	.	.	S	Bend	trans	-84.5	130.3	178.9	-72	-77	0	0	0	110.7	V507 M508 A509 L513 L521 I522 L610 I613 M614 L617 L619	V507-F511 HydrophobicContact CG1-CE2 4.25Å; V507-F511 WeakPolarHBondContact O-CD2 3.45Å; M508-F511 PolarHBondContact O-N 3.3Å; A509-F511 PolarHBondContact O-N 3.34Å; F511-L513 HydrophobicContact CB-CB 4.32Å; F511-L513 HydrophobicContact CB-CD1 4.14Å; F511-L513 HydrophobicContact CB-CG 4.27Å; F511-L513 HydrophobicContact CD1-CD1 4.48Å; F511-L513 PolarHBondContact O-N 2.95Å; F511-L521 HydrophobicContact CD1-CD2 3.96Å; F511-L521 HydrophobicContact CE1-CD2 3.67Å; F511-L521 HydrophobicContact CZ-CD2 4.19Å; F511-I522 HydrophobicContact CD2-CD1 4.31Å; F511-I522 HydrophobicContact CD2-CG1 4.5Å; F511-I522 HydrophobicContact CE2-CD1 4.1Å; F511-I522 HydrophobicContact CE2-CG1 3.93Å; F511-L610 HydrophobicContact CD1-CD2 3.85Å; F511-I613 HydrophobicContact CD1-CB 4.25Å; F511-I613 HydrophobicContact CD1-CD1 4.46Å; F511-I613 HydrophobicContact CD1-CG2 3.77Å; F511-I613 HydrophobicContact CE1-CB 3.86Å; F511-I613 HydrophobicContact CE1-CG2 3.46Å; F511-I613 VanDerWaalsContact CE1-CG2 3.46Å; F511-I613 HydrophobicContact CE2-CG2 4.41Å; F511-I613 HydrophobicContact CG-CG2 4.38Å; F511-I613 HydrophobicContact CZ-CG2 3.82Å; F511-M614 HydrophobicContact CE1-CG 4.01Å; F511-M614 HydrophobicContact CZ-CG 4.01Å; F511-L617 HydrophobicContact CE2-CD1 3.84Å; F511-L617 HydrophobicContact CZ-CD1 3.98Å; F511-L619 HydrophobicContact CE2-CD1 4.08Å; F511-L619 HydrophobicContact CZ-CD1 3.77Å
512	P	85.7	Confident	92.3	Very high	10 Å²	10	25 Å²	25	7%	0.065	14%	0.143	C	C	.	.	S	Bend	trans	-77.4	63.9	173.5	36.3	-39.1	0	0	0	109.3	R167 F168 L610 I613	R167-P512 PolarHBondContact NH2-O 3.48Å; F168-P512 HydrophobicContact CE1-CB 4.49Å; F168-P512 HydrophobicContact CE1-CG 3.92Å; P512-L610 HydrophobicContact CG-CD2 4.22Å; P512-I613 HydrophobicContact CG-CD1 4.27Å
513	L	87.4	Confident	92.3	Very high	14 Å²	14	25 Å²	25	7%	0.073	14%	0.143	C	C	.	.	S	Bend	trans	-145.4	161.1	-172.9	-65.2	175.1	0	0	0	110.2	F511 L517 S518 L521 T537 S541 L610	F511-L513 HydrophobicContact CB-CB 4.32Å; F511-L513 HydrophobicContact CB-CD1 4.14Å; F511-L513 HydrophobicContact CB-CG 4.27Å; F511-L513 HydrophobicContact CD1-CD1 4.48Å; F511-L513 PolarHBondContact O-N 2.95Å; L513-L517 HydrophobicContact CB-CB 4.14Å; L513-L517 HydrophobicContact CD1-CB 4.4Å; L513-S518 WeakPolarHBondContact CB-OG 3.37Å; L513-L521 HydrophobicContact CD1-CD2 4.19Å; L513-T537 HydrophobicContact CD1-CG2 3.46Å; L513-T537 VanDerWaalsContact CD1-CG2 3.46Å; L513-T537 HydrophobicContact CD2-CG2 3.85Å; L513-T537 HydrophobicContact CG-CG2 4.31Å; L513-S541 WeakPolarHBondContact CD2-OG 3.45Å; L513-L610 HydrophobicContact CD1-CD1 4.13Å; L513-L610 HydrophobicContact CD1-CD2 3.76Å; L513-L610 HydrophobicContact CD2-CD1 4.28Å; L513-L610 HydrophobicContact CD2-CD2 4.3Å; L513-L610 HydrophobicContact CG-CD2 3.96Å
514	D	88	Confident	92.4	Very high	88 Å²	88	19.6 Å²	19.6	47%	0.471	11%	0.107	S	C	.	.			trans	-65.2	146.7	170.5	-63.6	-30.9	0	0	0	110	Q516 L517 S518	D514-Q516 PolarHBondContact O-N 2.92Å; D514-Q516 VanDerWaalsContact O-N 3.1Å; D514-L517 WeakPolarHBondContact O-CA 3.23Å; D514-L517 WeakPolarHBondContact O-CB 3.42Å; D514-L517 PolarHBondContact O-N 2.63Å; D514-S518 PolarHBondContact O-N 3.04Å; D514-S518 PolarHBondContact O-OG 3.38Å
515	P	92.5	Very high	92.4	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-52	-38.1	-176.2	-30	36	0	0	0	114.3	L457 L489 L492 M508 L517 S518 K519	L457-P515 HydrophobicContact CD2-CG 4.27Å; L489-P515 HydrophobicContact CD2-CB 3.82Å; L489-P515 HydrophobicContact CD2-CG 3.85Å; L492-P515 HydrophobicContact CD1-CB 3.57Å; M508-P515 HydrophobicContact CE-CB 3.92Å; M508-P515 VanDerWaalsContact CE-O 3.27Å; M508-P515 WeakPolarHBondContact CE-O 3.4Å; P515-L517 PolarHBondContact O-N 3.43Å; P515-S518 PolarHBondContact O-N 2.9Å; P515-K519 WeakPolarHBondContact O-CB 3.3Å; P515-K519 PolarHBondContact O-N 3.1Å
516	Q	93.3	Very high	92.4	Very high	23 Å²	23	24.3 Å²	24.3	11%	0.107	13%	0.134	C	C	.	.	H	α-helix	trans	-61.4	-41.7	175.7	-63.6	97.2	-50.6	0	0	112.6	L492 D514 T520 G642 F643	L492-Q516 HydrophobicContact CD1-CG 4.45Å; D514-Q516 PolarHBondContact O-N 2.92Å; D514-Q516 VanDerWaalsContact O-N 3.1Å; Q516-T520 WeakPolarHBondContact O-CB 3.42Å; Q516-T520 PolarHBondContact O-N 2.91Å; Q516-T520 PolarHBondContact O-OG1 3.09Å; Q516-G642 WeakPolarHBondContact CB-O 2.89Å; Q516-G642 WeakPolarHBondContact CG-O 3.44Å; Q516-F643 HydrophobicContact CB-CD1 4.4Å; Q516-F643 HydrophobicContact CB-CE1 4.27Å; Q516-F643 HydrophobicContact CB-CZ 4.44Å
517	L	93.8	Very high	92.5	Very high	12 Å²	12	24.2 Å²	24.2	6%	0.063	13%	0.129	C	C	.	.	H	α-helix	trans	-71.3	-42.4	177.7	-75	172.6	0	0	0	111.3	L513 D514 P515 K519 T520 L521 T537 L540 F643	L513-L517 HydrophobicContact CB-CB 4.14Å; L513-L517 HydrophobicContact CD1-CB 4.4Å; D514-L517 WeakPolarHBondContact O-CA 3.23Å; D514-L517 WeakPolarHBondContact O-CB 3.42Å; D514-L517 PolarHBondContact O-N 2.63Å; P515-L517 PolarHBondContact O-N 3.43Å; L517-K519 VanDerWaalsContact C-N 3.35Å; L517-K519 PolarHBondContact O-N 3.15Å; L517-T520 PolarHBondContact O-N 3.07Å; L517-L521 WeakPolarHBondContact O-CB 3.4Å; L517-L521 PolarHBondContact O-N 3.07Å; L517-T537 HydrophobicContact CB-CG2 4.34Å; L517-T537 HydrophobicContact CD2-CG2 4.32Å; L517-L540 HydrophobicContact CD2-CD1 3.82Å; L517-F643 HydrophobicContact CD2-CE2 3.73Å; L517-F643 HydrophobicContact CD2-CZ 3.58Å; L517-F643 HydrophobicContact CG-CE2 4.41Å; L517-F643 HydrophobicContact CG-CZ 3.96Å
518	S	94.1	Very high	92.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.1	-46.9	174.7	-61.9	0	0	0	0	111.3	M508 L513 D514 P515 L521 I522	M508-S518 PolarHBondContact O-OG 3.08Å; L513-S518 WeakPolarHBondContact CB-OG 3.37Å; D514-S518 PolarHBondContact O-N 3.04Å; D514-S518 PolarHBondContact O-OG 3.38Å; P515-S518 PolarHBondContact O-N 2.9Å; S518-L521 PolarHBondContact O-N 3.03Å; S518-I522 WeakPolarHBondContact O-CD1 3.46Å; S518-I522 VanDerWaalsContact O-CG1 3.29Å; S518-I522 WeakPolarHBondContact O-CG1 3.43Å; S518-I522 PolarHBondContact O-N 3.28Å
519	K	95.2	Very high	92.6	Very high	35 Å²	35	25.3 Å²	25.3	15%	0.152	13%	0.133	C	C	.	.	H	α-helix	trans	-59.2	-49	175.8	175.8	64.5	176.6	-148.9	0	111.5	L492 L504 M508 P515 L517 L521 I522 S523 S641	L492-K519 HydrophobicContact CD2-CB 3.97Å; L492-K519 HydrophobicContact CD2-CG 3.96Å; L492-K519 WeakPolarHBondContact O-CD 3.28Å; L492-K519 WeakPolarHBondContact O-CE 3.37Å; L492-K519 PolarHBondContact O-NZ 2.9Å; L504-K519 HydrophobicContact CD2-CD 3.94Å; M508-K519 HydrophobicContact CE-CB 4.09Å; M508-K519 HydrophobicContact SD-CB 4.31Å; P515-K519 WeakPolarHBondContact O-CB 3.3Å; P515-K519 PolarHBondContact O-N 3.1Å; L517-K519 VanDerWaalsContact C-N 3.35Å; L517-K519 PolarHBondContact O-N 3.15Å; K519-L521 VanDerWaalsContact C-N 3.3Å; K519-L521 PolarHBondContact O-N 3.39Å; K519-I522 PolarHBondContact O-N 3.03Å; K519-S523 WeakPolarHBondContact CE-OG 3.27Å; K519-S523 WeakPolarHBondContact O-CB 3.26Å; K519-S523 PolarHBondContact O-N 3.39Å; K519-S523 PolarHBondContact O-OG 2.82Å; K519-S641 WeakPolarHBondContact CG-O 3.47Å
520	T	95.5	Very high	92.8	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-57.5	-44.7	179.1	-60	0	0	0	0	111.2	Q516 L517 S524 I533 L639 G642	Q516-T520 WeakPolarHBondContact O-CB 3.42Å; Q516-T520 PolarHBondContact O-N 2.91Å; Q516-T520 PolarHBondContact O-OG1 3.09Å; L517-T520 PolarHBondContact O-N 3.07Å; T520-S524 WeakPolarHBondContact O-CB 3.39Å; T520-S524 PolarHBondContact O-N 3.29Å; T520-I533 HydrophobicContact CG2-CD1 4.22Å; T520-I533 HydrophobicContact CG2-CG2 3.81Å; T520-L639 HydrophobicContact CG2-CD2 4.24Å; T520-G642 VanDerWaalsContact OG1-CA 3.32Å; T520-G642 WeakPolarHBondContact OG1-CA 3.31Å; T520-G642 PolarHBondContact OG1-N 2.83Å
521	L	95.8	Very high	93.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.8	-43.7	179	-174.9	60.7	0	0	0	112.1	F511 L513 L517 S518 K519 S524 I533 L534 M614	F511-L521 HydrophobicContact CD1-CD2 3.96Å; F511-L521 HydrophobicContact CE1-CD2 3.67Å; F511-L521 HydrophobicContact CZ-CD2 4.19Å; L513-L521 HydrophobicContact CD1-CD2 4.19Å; L517-L521 WeakPolarHBondContact O-CB 3.4Å; L517-L521 PolarHBondContact O-N 3.07Å; S518-L521 PolarHBondContact O-N 3.03Å; K519-L521 VanDerWaalsContact C-N 3.3Å; K519-L521 PolarHBondContact O-N 3.39Å; L521-S524 PolarHBondContact O-OG 3.22Å; L521-I533 HydrophobicContact CD1-CG2 4.12Å; L521-L534 HydrophobicContact CD1-CB 3.94Å; L521-L534 HydrophobicContact CD1-CD1 4.24Å; L521-M614 HydrophobicContact CD1-CE 4.3Å; L521-M614 HydrophobicContact CD1-SD 3.86Å; L521-M614 HydrophobicContact CD2-CG 4.4Å; L521-M614 HydrophobicContact CD2-SD 4.24Å; L521-M614 HydrophobicContact CG-SD 4.17Å
522	I	95.3	Very high	93.5	Very high	19 Å²	19	24.6 Å²	24.6	10%	0.097	13%	0.13	C	C	.	.	H	α-helix	trans	-68.4	-48.8	179.6	-64.5	161.7	0	0	0	110.8	L504 V507 M508 F511 S518 K519 S524 C525 L619	L504-I522 HydrophobicContact CD1-CB 4.36Å; L504-I522 HydrophobicContact CD1-CD1 4.02Å; L504-I522 HydrophobicContact CD1-CG2 3.73Å; V507-I522 HydrophobicContact CB-CD1 4.22Å; V507-I522 HydrophobicContact CG1-CD1 3.62Å; V507-I522 HydrophobicContact CG1-CG1 4.1Å; M508-I522 HydrophobicContact CB-CD1 4.29Å; M508-I522 HydrophobicContact CG-CD1 3.47Å; M508-I522 VanDerWaalsContact CG-CD1 3.47Å; F511-I522 HydrophobicContact CD2-CD1 4.31Å; F511-I522 HydrophobicContact CD2-CG1 4.5Å; F511-I522 HydrophobicContact CE2-CD1 4.1Å; F511-I522 HydrophobicContact CE2-CG1 3.93Å; S518-I522 WeakPolarHBondContact O-CD1 3.46Å; S518-I522 VanDerWaalsContact O-CG1 3.29Å; S518-I522 WeakPolarHBondContact O-CG1 3.43Å; S518-I522 PolarHBondContact O-N 3.28Å; K519-I522 PolarHBondContact O-N 3.03Å; I522-S524 PolarHBondContact O-N 2.98Å; I522-C525 WeakPolarHBondContact O-CB 3.43Å; I522-C525 PolarHBondContact O-N 2.89Å; I522-L619 HydrophobicContact CG1-CD1 4.17Å
523	S	94	Very high	94	Very high	17 Å²	17	24.1 Å²	24.1	12%	0.119	13%	0.127	C	C	.	.	H	α-helix	trans	-66.6	-21.9	-179.9	-70.2	0	0	0	0	113.4	K519 C525 D526 F527 S641	K519-S523 WeakPolarHBondContact CE-OG 3.27Å; K519-S523 WeakPolarHBondContact O-CB 3.26Å; K519-S523 PolarHBondContact O-N 3.39Å; K519-S523 PolarHBondContact O-OG 2.82Å; S523-C525 PolarHBondContact O-N 3.18Å; S523-C525 VanDerWaalsContact O-N 3.16Å; S523-D526 PolarHBondContact O-N 3.08Å; S523-D526 VanDerWaalsContact O-N 3.09Å; S523-F527 VanDerWaalsContact O-CD2 3.23Å; S523-F527 WeakPolarHBondContact O-CD2 3.28Å; S523-S641 WeakPolarHBondContact CB-OG 3.4Å
524	S	95.3	Very high	94.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.5	175.4	75.1	0	0	0	0	114.5	T520 L521 I522 D526 F527 N528 C529 S530	T520-S524 WeakPolarHBondContact O-CB 3.39Å; T520-S524 PolarHBondContact O-N 3.29Å; L521-S524 PolarHBondContact O-OG 3.22Å; I522-S524 PolarHBondContact O-N 2.98Å; S524-D526 VanDerWaalsContact C-N 3.25Å; S524-D526 PolarHBondContact O-N 3.12Å; S524-F527 PolarHBondContact O-N 3.35Å; S524-N528 PolarHBondContact O-N 2.91Å; S524-C529 PolarHBondContact O-N 2.87Å; S524-S530 WeakPolarHBondContact OG-CA 3.28Å; S524-S530 VanDerWaalsContact OG-CB 3.3Å; S524-S530 WeakPolarHBondContact OG-CB 3.33Å
525	C	93.8	Very high	94.9	Very high	14 Å²	14	19.3 Å²	19.3	10%	0.095	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-31.1	174.8	-70.1	0	0	0	0	112.4	I522 S523 K620	I522-C525 WeakPolarHBondContact O-CB 3.43Å; I522-C525 PolarHBondContact O-N 2.89Å; S523-C525 PolarHBondContact O-N 3.18Å; S523-C525 VanDerWaalsContact O-N 3.16Å; C525-K620 PolarHBondContact SG-O 2.81Å; C525-K620 VanDerWaalsContact SG-O 3.34Å
526	D	93.4	Very high	95.1	Very high	130 Å²	130	19.2 Å²	19.2	70%	0.695	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-29.9	179.2	-60	-32.5	0	0	0	111.8	S523 S524 N528	S523-D526 PolarHBondContact O-N 3.08Å; S523-D526 VanDerWaalsContact O-N 3.09Å; S524-D526 VanDerWaalsContact C-N 3.25Å; S524-D526 PolarHBondContact O-N 3.12Å; D526-N528 VanDerWaalsContact C-N 3.32Å
527	F	93.1	Very high	95.2	Very high	36 Å²	36	18.2 Å²	18.2	16%	0.158	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	4	177.1	-61.8	-74.2	0	0	0	113.8	S523 S524 C529 N634 K637 A638 L707	S523-F527 VanDerWaalsContact O-CD2 3.23Å; S523-F527 WeakPolarHBondContact O-CD2 3.28Å; S524-F527 PolarHBondContact O-N 3.35Å; F527-C529 PolarHBondContact O-N 3.36Å; F527-N634 HydrophobicContact CB-CB 4.28Å; F527-N634 WeakPolarHBondContact O-CB 3.42Å; F527-N634 PolarHBondContact O-ND2 3.12Å; F527-K637 HydrophobicContact CD1-CB 3.95Å; F527-K637 HydrophobicContact CD1-CD 4.38Å; F527-K637 HydrophobicContact CE1-CB 3.79Å; F527-K637 HydrophobicContact CE1-CD 4.27Å; F527-K637 HydrophobicContact CZ-CB 4.31Å; F527-A638 HydrophobicContact CB-CB 4.33Å; F527-A638 HydrophobicContact CD2-CB 3.77Å; F527-A638 HydrophobicContact CE2-CB 4.46Å; F527-A638 HydrophobicContact CG-CB 4.24Å; F527-L707 HydrophobicContact CE1-CD2 4.25Å; F527-L707 HydrophobicContact CZ-CD1 4.08Å; F527-L707 HydrophobicContact CZ-CD2 3.66Å
528	N	93.6	Very high	95.2	Very high	65 Å²	65	17.6 Å²	17.6	35%	0.348	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	34.2	-177.6	-53	-57.2	0	0	0	114	S524 D526 K622 S623 T624	S524-N528 PolarHBondContact O-N 2.91Å; D526-N528 VanDerWaalsContact C-N 3.32Å; N528-K622 HydrophobicContact CB-CB 4.36Å; N528-K622 HydrophobicContact CB-CD 4.36Å; N528-K622 WeakPolarHBondContact OD1-CD 2.88Å; N528-K622 PolarHBondContact OD1-NZ 2.97Å; N528-S623 CarbonylContact O-C 3.57Å; N528-S623 VanDerWaalsContact O-CA 3.3Å; N528-S623 WeakPolarHBondContact O-CA 3.38Å; N528-T624 PolarHBondContact O-N 2.92Å; N528-T624 PolarHBondContact O-OG1 3.42Å
529	C	95.1	Very high	95.2	Very high	1 Å²	1	18 Å²	18	1%	0.007	10%	0.095	C	C	.	.			trans	-132.2	25.3	179.5	61.1	0	0	0	0	112.7	S524 F527 N531 E532 I533 N634 I635	S524-C529 PolarHBondContact O-N 2.87Å; F527-C529 PolarHBondContact O-N 3.36Å; C529-N531 VanDerWaalsContact C-N 3.28Å; C529-N531 PolarHBondContact O-N 2.84Å; C529-E532 VanDerWaalsContact C-OE2 3.31Å; C529-E532 WeakPolarHBondContact CA-OE2 3.43Å; C529-E532 PolarHBondContact O-N 2.99Å; C529-I533 WeakPolarHBondContact O-CG1 3.48Å; C529-I533 PolarHBondContact O-N 2.99Å; C529-N634 HydrophobicContact CB-CB 4.31Å; C529-N634 PolarHBondContact SG-O 3.41Å; C529-I635 HydrophobicContact CB-CG1 3.77Å
530	S	95.8	Very high	95.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63	-28.2	-176.8	57	0	0	0	0	114.5	S524 L534 K620 R621 K622	S524-S530 WeakPolarHBondContact OG-CA 3.28Å; S524-S530 VanDerWaalsContact OG-CB 3.3Å; S524-S530 WeakPolarHBondContact OG-CB 3.33Å; S530-L534 WeakPolarHBondContact O-CB 3.41Å; S530-L534 PolarHBondContact O-N 2.86Å; S530-K620 PolarHBondContact OG-O 3.3Å; S530-K620 VanDerWaalsContact OG-O 3.13Å; S530-R621 WeakPolarHBondContact OG-CA 3.5Å; S530-K622 PolarHBondContact N-O 3.33Å; S530-K622 VanDerWaalsContact N-O 3.08Å; S530-K622 PolarHBondContact OG-N 3.01Å; S530-K622 PolarHBondContact OG-O 2.92Å
531	N	95.8	Very high	94.7	Very high	39 Å²	39	19.6 Å²	19.6	21%	0.209	11%	0.108	C	C	.	.	H	α-helix	trans	-68.2	-38.7	175	-82.1	-43.5	0	0	0	112	C529 T535 K622	C529-N531 VanDerWaalsContact C-N 3.28Å; C529-N531 PolarHBondContact O-N 2.84Å; N531-T535 PolarHBondContact O-N 3.42Å; N531-T535 PolarHBondContact O-OG1 3.33Å; N531-K622 PolarHBondContact N-O 2.85Å
532	E	97	Very high	94.2	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-72.5	-46	178.1	-67.4	72.5	-157.4	0	0	110.9	C529 L534 T535 I536 L574 S623 Y631 I635	C529-E532 VanDerWaalsContact C-OE2 3.31Å; C529-E532 WeakPolarHBondContact CA-OE2 3.43Å; C529-E532 PolarHBondContact O-N 2.99Å; E532-L534 VanDerWaalsContact C-N 3.34Å; E532-L534 PolarHBondContact O-N 3.04Å; E532-T535 WeakPolarHBondContact O-CA 3.25Å; E532-T535 WeakPolarHBondContact O-CB 3.24Å; E532-T535 PolarHBondContact O-N 2.9Å; E532-T535 VanDerWaalsContact O-N 3.12Å; E532-I536 WeakPolarHBondContact O-CG1 3.31Å; E532-I536 PolarHBondContact O-N 3.42Å; E532-L574 HydrophobicContact CB-CD1 4.16Å; E532-L574 HydrophobicContact CB-CD2 3.95Å; E532-L574 HydrophobicContact CG-CD1 4.33Å; E532-L574 HydrophobicContact CG-CD2 3.88Å; E532-S623 WeakPolarHBondContact OE1-CB 3.4Å; E532-S623 PolarHBondContact OE1-OG 2.84Å; E532-Y631 HydrophobicContact CG-CE2 4.24Å; E532-Y631 WeakPolarHBondContact CG-OH 3.24Å; E532-Y631 WeakPolarHBondContact OE1-CE2 3.38Å; E532-Y631 PolarHBondContact OE1-OH 2.87Å; E532-I635 HydrophobicContact CB-CD1 3.81Å; E532-I635 HydrophobicContact CB-CG1 3.95Å; E532-I635 HydrophobicContact CG-CD1 3.74Å; E532-I635 HydrophobicContact CG-CG1 4.27Å
533	I	97.3	Very high	93.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.2	-38.1	178	-68.2	-67.5	0	0	0	111.6	T520 L521 C529 T535 I536 T537 I635 A638 L639	T520-I533 HydrophobicContact CG2-CD1 4.22Å; T520-I533 HydrophobicContact CG2-CG2 3.81Å; L521-I533 HydrophobicContact CD1-CG2 4.12Å; C529-I533 WeakPolarHBondContact O-CG1 3.48Å; C529-I533 PolarHBondContact O-N 2.99Å; I533-T535 VanDerWaalsContact C-N 3.27Å; I533-T535 PolarHBondContact O-N 3.47Å; I533-I536 HydrophobicContact CD1-CD1 4.33Å; I533-I536 PolarHBondContact O-N 3Å; I533-T537 VanDerWaalsContact O-CB 3.25Å; I533-T537 WeakPolarHBondContact O-CB 3.17Å; I533-T537 PolarHBondContact O-N 2.95Å; I533-T537 PolarHBondContact O-OG1 2.68Å; I533-I635 HydrophobicContact CD1-CG2 3.97Å; I533-A638 HydrophobicContact CD1-CB 3.82Å; I533-A638 HydrophobicContact CG1-CB 3.82Å; I533-L639 HydrophobicContact CD1-CD2 3.96Å; I533-L639 HydrophobicContact CD1-CG 4.14Å
534	L	96.9	Very high	93	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.1	-42.8	171.8	173.9	62.2	0	0	0	111.4	L521 S530 E532 A538 R607 L610 A611 M614	L521-L534 HydrophobicContact CD1-CB 3.94Å; L521-L534 HydrophobicContact CD1-CD1 4.24Å; S530-L534 WeakPolarHBondContact O-CB 3.41Å; S530-L534 PolarHBondContact O-N 2.86Å; E532-L534 VanDerWaalsContact C-N 3.34Å; E532-L534 PolarHBondContact O-N 3.04Å; L534-A538 WeakPolarHBondContact O-CB 3.39Å; L534-A538 PolarHBondContact O-N 3.12Å; L534-R607 HydrophobicContact CD1-CG 4.33Å; L534-R607 HydrophobicContact CD2-CG 4.16Å; L534-R607 HydrophobicContact CG-CG 3.77Å; L534-L610 HydrophobicContact CD1-CB 3.39Å; L534-L610 HydrophobicContact CD1-CD1 4.18Å; L534-L610 HydrophobicContact CD1-CG 4.45Å; L534-A611 HydrophobicContact CD2-CB 3.99Å; L534-M614 HydrophobicContact CB-SD 4.43Å; L534-M614 HydrophobicContact CD1-SD 3.94Å; L534-M614 HydrophobicContact CD2-SD 4.1Å; L534-M614 HydrophobicContact CG-SD 4.37Å
535	T	96.8	Very high	92.8	Very high	2 Å²	2	27 Å²	27	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-66.5	-47.4	175.8	-60.1	0	0	0	0	112	N531 E532 I533 T537 A538 M539 L574 Y577 R607	N531-T535 PolarHBondContact O-N 3.42Å; N531-T535 PolarHBondContact O-OG1 3.33Å; E532-T535 WeakPolarHBondContact O-CA 3.25Å; E532-T535 WeakPolarHBondContact O-CB 3.24Å; E532-T535 PolarHBondContact O-N 2.9Å; E532-T535 VanDerWaalsContact O-N 3.12Å; I533-T535 VanDerWaalsContact C-N 3.27Å; I533-T535 PolarHBondContact O-N 3.47Å; T535-T537 VanDerWaalsContact C-N 3.33Å; T535-T537 PolarHBondContact O-N 2.78Å; T535-A538 PolarHBondContact O-N 3.21Å; T535-M539 WeakPolarHBondContact O-CG 3.32Å; T535-M539 PolarHBondContact O-N 3.34Å; T535-L574 HydrophobicContact CG2-CD1 3.75Å; T535-Y577 HydrophobicContact CG2-CD1 3.19Å; T535-Y577 HydrophobicContact CG2-CD2 3.99Å; T535-Y577 HydrophobicContact CG2-CE1 3.83Å; T535-Y577 HydrophobicContact CG2-CG 3.28Å; T535-R607 PolarHBondContact OG1-NE 3.05Å
536	I	96.5	Very high	92.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-45.4	177.8	-68.8	167.5	0	0	0	110.3	E532 I533 A538 M539 L540 H570 L574 I635 L639	E532-I536 WeakPolarHBondContact O-CG1 3.31Å; E532-I536 PolarHBondContact O-N 3.42Å; I533-I536 HydrophobicContact CD1-CD1 4.33Å; I533-I536 PolarHBondContact O-N 3Å; I536-A538 VanDerWaalsContact C-N 3.31Å; I536-A538 PolarHBondContact O-N 3.18Å; I536-M539 PolarHBondContact O-N 3.04Å; I536-M539 VanDerWaalsContact O-N 3.14Å; I536-L540 HydrophobicContact CG2-CD1 3.88Å; I536-L540 HydrophobicContact CG2-CG 4.24Å; I536-L540 WeakPolarHBondContact O-CG 3.34Å; I536-L540 PolarHBondContact O-N 3.33Å; I536-H570 HydrophobicContact CG2-CB 4.36Å; I536-L574 HydrophobicContact CD1-CB 4.39Å; I536-L574 HydrophobicContact CG1-CB 4.08Å; I536-L574 HydrophobicContact CG1-CD1 4.45Å; I536-I635 HydrophobicContact CD1-CG2 3.61Å; I536-L639 HydrophobicContact CG2-CD2 4.32Å
537	T	95.3	Very high	92.3	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.012	13%	0.134	C	C	.	.	H	α-helix	trans	-59.4	-42	177.8	-58.4	0	0	0	0	111.5	L513 L517 I533 T535 L540 S541 L610	L513-T537 HydrophobicContact CD1-CG2 3.46Å; L513-T537 VanDerWaalsContact CD1-CG2 3.46Å; L513-T537 HydrophobicContact CD2-CG2 3.85Å; L513-T537 HydrophobicContact CG-CG2 4.31Å; L517-T537 HydrophobicContact CB-CG2 4.34Å; L517-T537 HydrophobicContact CD2-CG2 4.32Å; I533-T537 VanDerWaalsContact O-CB 3.25Å; I533-T537 WeakPolarHBondContact O-CB 3.17Å; I533-T537 PolarHBondContact O-N 2.95Å; I533-T537 PolarHBondContact O-OG1 2.68Å; T535-T537 VanDerWaalsContact C-N 3.33Å; T535-T537 PolarHBondContact O-N 2.78Å; T537-L540 PolarHBondContact O-N 2.81Å; T537-S541 WeakPolarHBondContact O-CB 3.34Å; T537-S541 PolarHBondContact O-N 2.87Å; T537-S541 PolarHBondContact O-OG 2.84Å; T537-L610 HydrophobicContact CG2-CD1 3.91Å
538	A	94.3	Very high	91.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.1	-39.5	176.3	0	0	0	0	0	112.6	L534 T535 I536 S541 A603 V606 R607	L534-A538 WeakPolarHBondContact O-CB 3.39Å; L534-A538 PolarHBondContact O-N 3.12Å; T535-A538 PolarHBondContact O-N 3.21Å; I536-A538 VanDerWaalsContact C-N 3.31Å; I536-A538 PolarHBondContact O-N 3.18Å; A538-S541 PolarHBondContact O-N 2.86Å; A538-A603 WeakPolarHBondContact CB-O 3.4Å; A538-V606 HydrophobicContact CB-CB 4.24Å; A538-V606 HydrophobicContact CB-CG1 4.03Å; A538-R607 HydrophobicContact CB-CB 3.68Å; A538-R607 HydrophobicContact CB-CG 4.26Å
539	M	94	Very high	91.3	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.039	15%	0.15	C	C	.	.	H	α-helix	trans	-67.4	-36.3	175.8	-70.7	-66.1	-69.8	0	0	112.8	T535 I536 S541 V542 C545 L573 V576 Y577 M600 A603	T535-M539 WeakPolarHBondContact O-CG 3.32Å; T535-M539 PolarHBondContact O-N 3.34Å; I536-M539 PolarHBondContact O-N 3.04Å; I536-M539 VanDerWaalsContact O-N 3.14Å; M539-S541 VanDerWaalsContact C-N 3.31Å; M539-V542 VanDerWaalsContact O-CG2 3.22Å; M539-V542 WeakPolarHBondContact O-CG2 3.29Å; M539-C545 HydrophobicContact CE-CB 3.93Å; M539-L573 HydrophobicContact CB-CB 4.19Å; M539-L573 HydrophobicContact CB-CD1 4.45Å; M539-L573 HydrophobicContact CE-CB 4.41Å; M539-L573 HydrophobicContact CE-CD2 4.08Å; M539-V576 HydrophobicContact CE-CG1 4.4Å; M539-Y577 HydrophobicContact CG-CD2 4.35Å; M539-Y577 HydrophobicContact SD-CD2 3.9Å; M539-M600 HydrophobicContact CE-CE 3.92Å; M539-M600 HydrophobicContact CE-SD 3.65Å; M539-M600 HydrophobicContact SD-CE 3.77Å; M539-M600 HydrophobicContact SD-SD 3.93Å; M539-A603 HydrophobicContact CG-CB 4.49Å; M539-A603 HydrophobicContact SD-CB 3.63Å
540	L	92.7	Very high	90.4	Very high	31 Å²	31	32.1 Å²	32.1	16%	0.162	18%	0.178	C	C	.	.	H	α-helix	trans	-72.9	-24.3	175.4	-67.8	175	0	0	0	112.8	L517 I536 T537 V542 L573 N683 T695	L517-L540 HydrophobicContact CD2-CD1 3.82Å; I536-L540 HydrophobicContact CG2-CD1 3.88Å; I536-L540 HydrophobicContact CG2-CG 4.24Å; I536-L540 WeakPolarHBondContact O-CG 3.34Å; I536-L540 PolarHBondContact O-N 3.33Å; T537-L540 PolarHBondContact O-N 2.81Å; L540-V542 VanDerWaalsContact C-N 3.28Å; L540-V542 PolarHBondContact O-N 3.28Å; L540-L573 HydrophobicContact CD2-CD1 3.8Å; L540-L573 HydrophobicContact CG-CD1 4.49Å; L540-N683 HydrophobicContact CD2-CB 4.45Å; L540-T695 HydrophobicContact CD2-CG2 4.05Å
541	S	87.3	Confident	89.8	Confident	38 Å²	38	39.7 Å²	39.7	27%	0.266	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.7	-179.9	-61.4	0	0	0	0	113.9	L513 T537 A538 M539	L513-S541 WeakPolarHBondContact CD2-OG 3.45Å; T537-S541 WeakPolarHBondContact O-CB 3.34Å; T537-S541 PolarHBondContact O-N 2.87Å; T537-S541 PolarHBondContact O-OG 2.84Å; A538-S541 PolarHBondContact O-N 2.86Å; M539-S541 VanDerWaalsContact C-N 3.31Å
542	V	85.2	Confident	89.4	Confident	20 Å²	20	39 Å²	39	12%	0.121	21%	0.213	C	C	.	.	S	Bend	trans	-115.6	160.8	-179.5	-63.6	0	0	0	0	111.6	M539 L540 N602 A603 V606	M539-V542 VanDerWaalsContact O-CG2 3.22Å; M539-V542 WeakPolarHBondContact O-CG2 3.29Å; L540-V542 VanDerWaalsContact C-N 3.28Å; L540-V542 PolarHBondContact O-N 3.28Å; V542-N602 HydrophobicContact CG1-CB 3.76Å; V542-A603 HydrophobicContact CG1-CB 4.24Å; V542-A603 HydrophobicContact CG2-CB 3.95Å; V542-V606 HydrophobicContact CG1-CG2 4.36Å
543	P	80.5	Confident	88.9	Confident	61 Å²	61	43.4 Å²	43.4	40%	0.396	23%	0.232	S	C	.	.	S	Bend	trans	-56.6	154.3	172.1	-22.9	34.1	0	0	0	111.9	T336 C545 S599	T336-P543 HydrophobicContact CG2-CB 4.38Å; T336-P543 HydrophobicContact CG2-CG 3.95Å; P543-C545 PolarHBondContact O-N 2.82Å; P543-S599 WeakPolarHBondContact O-CB 3.44Å; P543-S599 PolarHBondContact O-OG 3.31Å
544	Q	84.3	Confident	88.6	Confident	107 Å²	107	50.8 Å²	50.8	50%	0.5	26%	0.264	S	S	.	.			trans	-47.6	132	-177.2	-65	-173.5	18.3	0	0	112.6	S599	Q544-S599 PolarHBondContact O-OG 2.8Å
545	C	90	Very high	88.3	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.02	29%	0.291	C	S	.	.	S	Bend	trans	-79.5	-23.3	-178.9	59.4	0	0	0	0	113	M539 P543 I595 N596 M600	M539-C545 HydrophobicContact CE-CB 3.93Å; P543-C545 PolarHBondContact O-N 2.82Å; C545-I595 CarbonylContact O-C 3.57Å; C545-I595 WeakPolarHBondContact O-CA 3.47Å; C545-N596 PolarHBondContact O-N 3.42Å; C545-M600 HydrophobicContact CB-SD 3.85Å
546	F	90.8	Very high	88	Confident	41 Å²	41	56.4 Å²	56.4	18%	0.18	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-81	123.7	-179.7	-62.1	-70.3	0	0	0	111.5	K560 T572 L573 V576 I595	F546-K560 HydrophobicContact CD1-CB 4.04Å; F546-K560 HydrophobicContact CD1-CD 3.91Å; F546-K560 HydrophobicContact CD1-CG 3.83Å; F546-K560 HydrophobicContact CD2-CD 4.14Å; F546-K560 HydrophobicContact CE1-CB 4.06Å; F546-K560 HydrophobicContact CE1-CD 4.02Å; F546-K560 HydrophobicContact CE1-CG 3.59Å; F546-K560 HydrophobicContact CE2-CD 4.23Å; F546-K560 HydrophobicContact CG-CD 3.98Å; F546-K560 HydrophobicContact CG-CG 4.4Å; F546-K560 HydrophobicContact CZ-CD 4.17Å; F546-K560 HydrophobicContact CZ-CG 3.95Å; F546-T572 HydrophobicContact CZ-CG2 3.91Å; F546-L573 HydrophobicContact CE2-CD2 4.13Å; F546-V576 HydrophobicContact CE1-CG2 3.84Å; F546-V576 HydrophobicContact CZ-CG2 3.7Å; F546-I595 HydrophobicContact CD1-CD1 3.78Å; F546-I595 HydrophobicContact CE1-CD1 3.85Å
547	V	85.9	Confident	87.8	Confident	58 Å²	58	59.3 Å²	59.3	35%	0.352	31%	0.308	S	S	.	.			trans	-93.6	122.2	173.9	-175.2	0	0	0	0	108.2	P549 A556 F594 N596	V547-P549 HydrophobicContact CG1-CG 4.12Å; V547-P549 WeakPolarHBondContact O-CD 3.31Å; V547-A556 WeakPolarHBondContact O-CB 3.3Å; V547-F594 WeakPolarHBondContact CB-O 3.42Å; V547-F594 PolarHBondContact N-O 2.77Å; V547-N596 HydrophobicContact CG2-CB 3.84Å
548	R	86	Confident	87.6	Confident	134 Å²	134	64.2 Å²	64.2	51%	0.506	33%	0.331	S	S	.	.			trans	-125.9	78.3	-179	-167.3	172.9	-175.1	-97	1.2	111.7	K553 A556 D557	R548-K553 HydrophobicContact CG-CG 4.4Å; R548-A556 HydrophobicContact CB-CB 4.47Å; R548-A556 HydrophobicContact CG-CB 4.17Å; R548-D557 WeakPolarHBondContact CD-OD1 3.24Å; R548-D557 IonicContact CZ-OD1 2.69Å; R548-D557 IonicContact CZ-OD2 3.67Å; R548-D557 IonicContact NE-OD1 3.93Å; R548-D557 PolarHBondContact NE-OD1 3.37Å; R548-D557 IonicContact NE-OD2 3.31Å; R548-D557 PolarHBondContact NE-OD2 3.19Å; R548-D557 IonicContact NH2-OD1 3.95Å; R548-D557 IonicContact NH2-OD2 3.95Å; R548-D557 PolarHBondContact NH2-OD2 3.15Å
549	P	79.6	Confident	87.6	Confident	50 Å²	50	64.3 Å²	64.3	33%	0.325	33%	0.332	S	S	.	.			trans	-61.8	142.4	179.6	-18.5	32.5	0	0	0	110.8	V547 E551 A552 K553 F594	V547-P549 HydrophobicContact CG1-CG 4.12Å; V547-P549 WeakPolarHBondContact O-CD 3.31Å; P549-E551 PolarHBondContact O-N 3.41Å; P549-A552 HydrophobicContact CB-CB 4.32Å; P549-A552 HydrophobicContact CG-CB 4.46Å; P549-A552 CarbonylContact O-C 3.19Å; P549-A552 PolarHBondContact O-N 3.19Å; P549-A552 VanDerWaalsContact O-N 3.14Å; P549-K553 WeakPolarHBondContact O-CG 3.46Å; P549-K553 PolarHBondContact O-N 2.9Å; P549-K553 VanDerWaalsContact O-N 3.16Å; P549-F594 HydrophobicContact CG-CD1 4.4Å; P549-F594 HydrophobicContact CG-CE1 4.33Å
550	A	76.9	Confident	87.5	Confident	71 Å²	71	65.2 Å²	65.2	59%	0.587	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.7	-177.4	0	0	0	0	0	113.3	K553	A550-K553 WeakPolarHBondContact O-CG 3.44Å
551	E	83.5	Confident	87.6	Confident	159 Å²	159	68.9 Å²	68.9	74%	0.743	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-24	-178.2	-59.2	177.5	-159	0	0	112.6	R316 P549	R316-E551 IonicContact NH2-OE1 2.71Å; P549-E551 PolarHBondContact O-N 3.41Å
552	A	86.4	Confident	87.8	Confident	26 Å²	26	75.2 Å²	75.2	22%	0.215	37%	0.371	C	S	.	.	S	Bend	trans	-120.4	27.1	-174	0	0	0	0	0	112.9	P549 K554 M555 A556 F594	P549-A552 HydrophobicContact CB-CB 4.32Å; P549-A552 HydrophobicContact CG-CB 4.46Å; P549-A552 CarbonylContact O-C 3.19Å; P549-A552 PolarHBondContact O-N 3.19Å; P549-A552 VanDerWaalsContact O-N 3.14Å; A552-K554 VanDerWaalsContact C-N 3.3Å; A552-K554 PolarHBondContact O-N 2.86Å; A552-M555 PolarHBondContact O-N 3.46Å; A552-A556 PolarHBondContact O-N 2.81Å; A552-F594 HydrophobicContact CB-CE1 3.99Å; A552-F594 HydrophobicContact CB-CZ 4.3Å
553	K	87.1	Confident	88.3	Confident	99 Å²	99	75.2 Å²	75.2	43%	0.43	37%	0.37	S	S	.	.	H	α-helix	trans	-50.6	-47.2	-175.9	-73	176.8	-176.8	177.3	0	112.8	R548 P549 A550 A556 D557	R548-K553 HydrophobicContact CG-CG 4.4Å; P549-K553 WeakPolarHBondContact O-CG 3.46Å; P549-K553 PolarHBondContact O-N 2.9Å; P549-K553 VanDerWaalsContact O-N 3.16Å; A550-K553 WeakPolarHBondContact O-CG 3.44Å; K553-A556 PolarHBondContact O-N 3.48Å; K553-D557 WeakPolarHBondContact O-CB 3.34Å; K553-D557 PolarHBondContact O-N 3.23Å
554	K	90.8	Very high	89	Confident	155 Å²	155	73.9 Å²	73.9	67%	0.674	36%	0.363	S	S	*	.	H	α-helix	trans	-63.8	-46	-177.6	-171.3	-178.3	176.5	-170.7	0	112.3	A552 A556 D557 E558	A552-K554 VanDerWaalsContact C-N 3.3Å; A552-K554 PolarHBondContact O-N 2.86Å; K554-A556 VanDerWaalsContact C-N 3.34Å; K554-A556 PolarHBondContact O-N 2.83Å; K554-D557 PolarHBondContact O-N 3.02Å; K554-E558 WeakPolarHBondContact CE-OE1 3.28Å; K554-E558 WeakPolarHBondContact O-CG 3.39Å; K554-E558 PolarHBondContact O-N 3.1Å
555	M	91	Very high	89.5	Confident	115 Å²	115	69.8 Å²	69.8	57%	0.567	34%	0.344	S	S	*	.	H	α-helix	trans	-64.9	-39.2	178	-66.2	176.3	68.1	0	0	111.8	A552 E558 A559 F594	A552-M555 PolarHBondContact O-N 3.46Å; M555-E558 PolarHBondContact O-N 3.12Å; M555-A559 WeakPolarHBondContact O-CB 3.43Å; M555-A559 PolarHBondContact O-N 3.43Å; M555-F594 HydrophobicContact CB-CE2 3.86Å; M555-F594 HydrophobicContact CB-CZ 3.68Å; M555-F594 HydrophobicContact CE-CZ 4.38Å
556	A	89.9	Confident	89.7	Confident	5 Å²	5	75.1 Å²	75.1	4%	0.041	37%	0.371	C	S	.	.	H	α-helix	trans	-65	-41.4	175.9	0	0	0	0	0	111.9	V547 R548 A552 K553 K554 A559 K560 F594	V547-A556 WeakPolarHBondContact O-CB 3.3Å; R548-A556 HydrophobicContact CB-CB 4.47Å; R548-A556 HydrophobicContact CG-CB 4.17Å; A552-A556 PolarHBondContact O-N 2.81Å; K553-A556 PolarHBondContact O-N 3.48Å; K554-A556 VanDerWaalsContact C-N 3.34Å; K554-A556 PolarHBondContact O-N 2.83Å; A556-A559 PolarHBondContact O-N 3.18Å; A556-K560 WeakPolarHBondContact O-CB 3.28Å; A556-K560 PolarHBondContact O-N 3.21Å; A556-F594 HydrophobicContact CB-CB 4.26Å; A556-F594 HydrophobicContact CB-CD1 3.72Å; A556-F594 HydrophobicContact CB-CE1 4.15Å; A556-F594 HydrophobicContact CB-CG 3.92Å
557	D	91.5	Very high	89.8	Confident	63 Å²	63	74.5 Å²	74.5	34%	0.337	37%	0.37	S	S	.	.	H	α-helix	trans	-65.9	-43	176.9	-65.5	-22.5	0	0	0	110.7	R548 K553 K554 K560 M561	R548-D557 WeakPolarHBondContact CD-OD1 3.24Å; R548-D557 IonicContact CZ-OD1 2.69Å; R548-D557 IonicContact CZ-OD2 3.67Å; R548-D557 IonicContact NE-OD1 3.93Å; R548-D557 PolarHBondContact NE-OD1 3.37Å; R548-D557 IonicContact NE-OD2 3.31Å; R548-D557 PolarHBondContact NE-OD2 3.19Å; R548-D557 IonicContact NH2-OD1 3.95Å; R548-D557 IonicContact NH2-OD2 3.95Å; R548-D557 PolarHBondContact NH2-OD2 3.15Å; K553-D557 WeakPolarHBondContact O-CB 3.34Å; K553-D557 PolarHBondContact O-N 3.23Å; K554-D557 PolarHBondContact O-N 3.02Å; D557-K560 PolarHBondContact O-N 3.28Å; D557-M561 WeakPolarHBondContact O-CG 3.18Å; D557-M561 PolarHBondContact O-N 3.49Å
558	E	92.9	Very high	90.2	Very high	105 Å²	105	71.8 Å²	71.8	49%	0.491	35%	0.353	S	S	.	.	H	α-helix	trans	-61.6	-42.7	174.1	-74.4	171	-172.1	0	0	112.6	K554 M555 M561	K554-E558 WeakPolarHBondContact CE-OE1 3.28Å; K554-E558 WeakPolarHBondContact O-CG 3.39Å; K554-E558 PolarHBondContact O-N 3.1Å; M555-E558 PolarHBondContact O-N 3.12Å; E558-M561 PolarHBondContact O-N 2.94Å
559	A	92.9	Very high	90.6	Very high	2 Å²	2	65.8 Å²	65.8	2%	0.017	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-41.2	176.1	0	0	0	0	0	111.7	M555 A556 M561 R562 F563 F594	M555-A559 WeakPolarHBondContact O-CB 3.43Å; M555-A559 PolarHBondContact O-N 3.43Å; A556-A559 PolarHBondContact O-N 3.18Å; A559-M561 VanDerWaalsContact C-N 3.32Å; A559-M561 PolarHBondContact O-N 3.44Å; A559-R562 WeakPolarHBondContact O-CB 3.2Å; A559-R562 PolarHBondContact O-N 3.32Å; A559-F563 WeakPolarHBondContact O-CD2 3.34Å; A559-F594 HydrophobicContact CB-CB 4.44Å; A559-F594 HydrophobicContact CB-CD2 3.67Å; A559-F594 HydrophobicContact CB-CE2 4.44Å; A559-F594 HydrophobicContact CB-CG 4.47Å
560	K	92.9	Very high	91.4	Very high	27 Å²	27	63.4 Å²	63.4	12%	0.117	32%	0.316	C	S	.	.	H	α-helix	trans	-60.3	-41.4	175	176.1	169.8	-174.8	179.5	0	112	F546 A556 D557 R562 F563 A564 S670 V672	F546-K560 HydrophobicContact CD1-CB 4.04Å; F546-K560 HydrophobicContact CD1-CD 3.91Å; F546-K560 HydrophobicContact CD1-CG 3.83Å; F546-K560 HydrophobicContact CD2-CD 4.14Å; F546-K560 HydrophobicContact CE1-CB 4.06Å; F546-K560 HydrophobicContact CE1-CD 4.02Å; F546-K560 HydrophobicContact CE1-CG 3.59Å; F546-K560 HydrophobicContact CE2-CD 4.23Å; F546-K560 HydrophobicContact CG-CD 3.98Å; F546-K560 HydrophobicContact CG-CG 4.4Å; F546-K560 HydrophobicContact CZ-CD 4.17Å; F546-K560 HydrophobicContact CZ-CG 3.95Å; A556-K560 WeakPolarHBondContact O-CB 3.28Å; A556-K560 PolarHBondContact O-N 3.21Å; D557-K560 PolarHBondContact O-N 3.28Å; K560-R562 PolarHBondContact O-N 3.41Å; K560-F563 PolarHBondContact O-N 2.87Å; K560-A564 PolarHBondContact O-N 3.19Å; K560-S670 PolarHBondContact NZ-O 3.42Å; K560-V672 HydrophobicContact CD-CG1 4.5Å; K560-V672 HydrophobicContact CG-CG1 4.39Å
561	M	93.2	Very high	92.4	Very high	107 Å²	107	60 Å²	60	53%	0.527	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-20.6	180	-71.7	-54.8	-65.2	0	0	113.6	D557 E558 A559 F563 A564	D557-M561 WeakPolarHBondContact O-CG 3.18Å; D557-M561 PolarHBondContact O-N 3.49Å; E558-M561 PolarHBondContact O-N 2.94Å; A559-M561 VanDerWaalsContact C-N 3.32Å; A559-M561 PolarHBondContact O-N 3.44Å; M561-F563 PolarHBondContact O-N 3.45Å; M561-A564 HydrophobicContact CE-CB 3.87Å; M561-A564 WeakPolarHBondContact O-CB 3.46Å; M561-A564 PolarHBondContact O-N 3.44Å; M561-A564 HydrophobicContact SD-CB 4.02Å
562	R	93.4	Very high	93	Very high	171 Å²	171	52.5 Å²	52.5	65%	0.645	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-25.5	173.5	-60	176.8	-176.2	166.2	-0.1	113.3	A559 K560 N593	A559-R562 WeakPolarHBondContact O-CB 3.2Å; A559-R562 PolarHBondContact O-N 3.32Å; K560-R562 PolarHBondContact O-N 3.41Å; R562-N593 PolarHBondContact NH1-OD1 3.2Å
563	F	94.5	Very high	93.4	Very high	21 Å²	21	52.2 Å²	52.2	9%	0.092	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-5.4	179.7	-52.7	-74.5	0	0	0	112.8	A559 K560 M561 H565 T572 N575 V576 A579 W589 N593 I595	A559-F563 WeakPolarHBondContact O-CD2 3.34Å; K560-F563 PolarHBondContact O-N 2.87Å; M561-F563 PolarHBondContact O-N 3.45Å; F563-H565 PolarHBondContact O-N 2.9Å; F563-T572 HydrophobicContact CB-CG2 4.21Å; F563-N575 HydrophobicContact CB-CB 4.29Å; F563-N575 PolarHBondContact O-ND2 3.29Å; F563-V576 HydrophobicContact CB-CG2 3.68Å; F563-V576 HydrophobicContact CD1-CG2 4.2Å; F563-V576 HydrophobicContact CD2-CG2 3.94Å; F563-V576 HydrophobicContact CG-CG2 3.66Å; F563-A579 HydrophobicContact CD1-CB 4.16Å; F563-A579 HydrophobicContact CE1-CB 3.6Å; F563-W589 HydrophobicContact CE1-CH2 4.11Å; F563-W589 AromaticContact CE1-CZ2 3.8Å; F563-W589 HydrophobicContact CE1-CZ2 3.8Å; F563-W589 AromaticContact CZ-CH2 3.89Å; F563-W589 HydrophobicContact CZ-CH2 3.89Å; F563-W589 AromaticContact CZ-CZ2 3.61Å; F563-W589 HydrophobicContact CZ-CZ2 3.61Å; F563-N593 HydrophobicContact CE2-CB 4.08Å; F563-N593 HydrophobicContact CZ-CB 4.1Å; F563-I595 HydrophobicContact CE2-CD1 4.5Å
564	A	94.7	Very high	93.9	Very high	32 Å²	32	47.5 Å²	47.5	26%	0.264	23%	0.227	S	C	.	.			trans	-59.3	127.3	-174	0	0	0	0	0	111	K560 M561 V672	K560-A564 PolarHBondContact O-N 3.19Å; M561-A564 HydrophobicContact CE-CB 3.87Å; M561-A564 WeakPolarHBondContact O-CB 3.46Å; M561-A564 PolarHBondContact O-N 3.44Å; M561-A564 HydrophobicContact SD-CB 4.02Å; A564-V672 HydrophobicContact CB-CB 3.81Å; A564-V672 HydrophobicContact CB-CG1 3.96Å; A564-V672 HydrophobicContact CB-CG2 4.32Å
565	H	95.4	Very high	94.2	Very high	22 Å²	22	42.1 Å²	42.1	10%	0.102	21%	0.206	C	C	.	.			trans	-100.6	136.7	171.3	-168.9	-77.3	0	0	0	109.8	F563 D567 G568 L571 T572 Y632	F563-H565 PolarHBondContact O-N 2.9Å; H565-D567 IonicContact CE1-OD2 3.69Å; H565-D567 PolarHBondContact ND1-N 3.43Å; H565-D567 PolarHBondContact O-N 3.11Å; H565-G568 PolarHBondContact O-N 2.97Å; H565-L571 HydrophobicContact CB-CB 3.62Å; H565-L571 VanDerWaalsContact CE1-CD1 3.45Å; H565-L571 WeakPolarHBondContact CE1-CD1 3.09Å; H565-L571 WeakPolarHBondContact ND1-CD1 3.18Å; H565-T572 PolarHBondContact N-OG1 3.16Å; H565-Y632 AromaticContact CD2-CE1 3.6Å; H565-Y632 AromaticContact CD2-CZ 3.8Å; H565-Y632 AromaticContact NE2-CD1 3.41Å; H565-Y632 WeakPolarHBondContact NE2-CD1 3.36Å; H565-Y632 AromaticContact NE2-CD2 3.76Å; H565-Y632 AromaticContact NE2-CE1 3.27Å; H565-Y632 VanDerWaalsContact NE2-CE1 3.27Å; H565-Y632 WeakPolarHBondContact NE2-CE1 3.42Å; H565-Y632 AromaticContact NE2-CE2 3.63Å; H565-Y632 AromaticContact NE2-CG 3.63Å; H565-Y632 AromaticContact NE2-CZ 3.36Å
566	I	93.8	Very high	94.4	Very high	115 Å²	115	36.6 Å²	36.6	59%	0.59	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-36.7	-175.9	-163.6	168.2	0	0	0	113.1	L673	I566-L673 VanDerWaalsContact O-CD2 3.29Å; I566-L673 WeakPolarHBondContact O-CD2 3.37Å
567	D	93.5	Very high	94.7	Very high	28 Å²	28	36.7 Å²	36.7	15%	0.15	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-5.8	179.2	-64.5	-21.6	0	0	0	114.5	H565 L571 R636 T697 E698	H565-D567 IonicContact CE1-OD2 3.69Å; H565-D567 PolarHBondContact ND1-N 3.43Å; H565-D567 PolarHBondContact O-N 3.11Å; D567-L571 HydrophobicContact CB-CD1 3.91Å; D567-R636 IonicContact OD1-CZ 3.67Å; D567-R636 IonicContact OD1-NH1 3.31Å; D567-R636 PolarHBondContact OD1-NH1 3.08Å; D567-R636 WeakPolarHBondContact OD2-CD 3.38Å; D567-R636 IonicContact OD2-CZ 3.69Å; D567-R636 IonicContact OD2-NE 3.76Å; D567-R636 IonicContact OD2-NH1 2.61Å; D567-R636 PolarHBondContact OD2-NH1 2.81Å; D567-T697 WeakPolarHBondContact O-CA 3.38Å; D567-E698 PolarHBondContact O-N 3.23Å
568	G	94.2	Very high	94.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	130.2	-168	167.6	0	0	0	0	0	118.5	H565 T572 I696	H565-G568 PolarHBondContact O-N 2.97Å; G568-T572 PolarHBondContact O-N 3.48Å; G568-T572 PolarHBondContact O-OG1 3.46Å; G568-I696 CarbonylContact C-O 3.44Å; G568-I696 WeakPolarHBondContact CA-O 3.4Å
569	D	95.4	Very high	95	Very high	9 Å²	9	32.2 Å²	32.2	5%	0.048	16%	0.157	C	C	.	.	H	α-helix	trans	-73	-35.3	-165.1	-66.1	-41.2	0	0	0	113.7	L571 T572 L573 V672 T695 I696	D569-L571 VanDerWaalsContact C-N 3.3Å; D569-L571 PolarHBondContact O-N 2.58Å; D569-T572 WeakPolarHBondContact O-CA 3.43Å; D569-T572 VanDerWaalsContact O-CB 3.3Å; D569-T572 WeakPolarHBondContact O-CB 3.44Å; D569-T572 PolarHBondContact O-N 3.43Å; D569-T572 VanDerWaalsContact O-N 3.12Å; D569-L573 WeakPolarHBondContact O-CG 3.48Å; D569-L573 PolarHBondContact O-N 3.37Å; D569-V672 WeakPolarHBondContact OD1-CG2 3.42Å; D569-V672 PolarHBondContact OD1-N 2.91Å; D569-T695 HydrophobicContact CB-CG2 3.84Å; D569-T695 VanDerWaalsContact OD2-CA 3.28Å; D569-T695 WeakPolarHBondContact OD2-CA 3.4Å; D569-I696 PolarHBondContact N-O 2.69Å; D569-I696 PolarHBondContact OD2-N 2.71Å
570	H	96.3	Very high	95.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.5	-41	179.3	-66.1	90.2	0	0	0	111.8	I536 L573 L574 L639 T695 T697	I536-H570 HydrophobicContact CG2-CB 4.36Å; H570-L573 PolarHBondContact O-N 2.93Å; H570-L574 PolarHBondContact O-N 3.22Å; H570-L574 VanDerWaalsContact O-N 3.15Å; H570-L639 HydrophobicContact CB-CD1 3.7Å; H570-T695 PolarHBondContact CE1-O 3.17Å; H570-T697 WeakPolarHBondContact CB-OG1 3.47Å; H570-T697 PolarHBondContact N-OG1 2.94Å; H570-T697 PolarHBondContact ND1-OG1 2.91Å
571	L	96.7	Very high	95.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-73.5	-30.6	175.8	-64.6	176.1	0	0	0	111.7	H565 D567 D569 L573 L574 N575 Y632 I635 R636	H565-L571 HydrophobicContact CB-CB 3.62Å; H565-L571 VanDerWaalsContact CE1-CD1 3.45Å; H565-L571 WeakPolarHBondContact CE1-CD1 3.09Å; H565-L571 WeakPolarHBondContact ND1-CD1 3.18Å; D567-L571 HydrophobicContact CB-CD1 3.91Å; D569-L571 VanDerWaalsContact C-N 3.3Å; D569-L571 PolarHBondContact O-N 2.58Å; L571-L573 VanDerWaalsContact C-N 3.35Å; L571-L574 HydrophobicContact CD2-CD2 4.26Å; L571-L574 WeakPolarHBondContact O-CB 3.15Å; L571-L574 PolarHBondContact O-N 2.76Å; L571-N575 VanDerWaalsContact O-CG 3.29Å; L571-N575 PolarHBondContact O-N 2.65Å; L571-Y632 HydrophobicContact CD1-CD1 3.81Å; L571-Y632 HydrophobicContact CD1-CG 4.43Å; L571-Y632 HydrophobicContact CD2-CD1 3.91Å; L571-Y632 HydrophobicContact CD2-CE1 4.46Å; L571-Y632 HydrophobicContact CG-CD1 4.4Å; L571-I635 HydrophobicContact CD2-CB 4.13Å; L571-I635 HydrophobicContact CD2-CD1 3.97Å; L571-I635 HydrophobicContact CD2-CG2 3.64Å; L571-R636 HydrophobicContact CD1-CG 4.35Å
572	T	96.5	Very high	95.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-62	-42.9	170.2	-57.3	0	0	0	0	111.2	F546 F563 H565 G568 D569 L574 N575 V576 V672	F546-T572 HydrophobicContact CZ-CG2 3.91Å; F563-T572 HydrophobicContact CB-CG2 4.21Å; H565-T572 PolarHBondContact N-OG1 3.16Å; G568-T572 PolarHBondContact O-N 3.48Å; G568-T572 PolarHBondContact O-OG1 3.46Å; D569-T572 WeakPolarHBondContact O-CA 3.43Å; D569-T572 VanDerWaalsContact O-CB 3.3Å; D569-T572 WeakPolarHBondContact O-CB 3.44Å; D569-T572 PolarHBondContact O-N 3.43Å; D569-T572 VanDerWaalsContact O-N 3.12Å; T572-L574 VanDerWaalsContact C-N 3.31Å; T572-L574 PolarHBondContact O-N 3.11Å; T572-N575 WeakPolarHBondContact O-CB 3.38Å; T572-N575 PolarHBondContact O-N 3.27Å; T572-V576 WeakPolarHBondContact O-CG2 3.3Å; T572-V576 PolarHBondContact O-N 3.41Å; T572-V672 HydrophobicContact CG2-CG1 3.95Å; T572-V672 VanDerWaalsContact OG1-CG2 3.31Å; T572-V672 WeakPolarHBondContact OG1-CG2 3.18Å
573	L	95.8	Very high	95.3	Very high	19 Å²	19	30.9 Å²	30.9	10%	0.099	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-38.8	174.7	-67.2	175.2	0	0	0	112	M539 L540 F546 D569 H570 L571 V576 Y577 T695	M539-L573 HydrophobicContact CB-CB 4.19Å; M539-L573 HydrophobicContact CB-CD1 4.45Å; M539-L573 HydrophobicContact CE-CB 4.41Å; M539-L573 HydrophobicContact CE-CD2 4.08Å; L540-L573 HydrophobicContact CD2-CD1 3.8Å; L540-L573 HydrophobicContact CG-CD1 4.49Å; F546-L573 HydrophobicContact CE2-CD2 4.13Å; D569-L573 WeakPolarHBondContact O-CG 3.48Å; D569-L573 PolarHBondContact O-N 3.37Å; H570-L573 PolarHBondContact O-N 2.93Å; L571-L573 VanDerWaalsContact C-N 3.35Å; L573-V576 PolarHBondContact O-N 3.1Å; L573-Y577 PolarHBondContact O-N 3.44Å; L573-Y577 VanDerWaalsContact O-N 3.1Å; L573-T695 HydrophobicContact CD1-CG2 4.14Å
574	L	96.5	Very high	95.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-46.4	173.7	-178.2	65.2	0	0	0	111.4	E532 T535 I536 H570 L571 T572 V576 Y577 H578 I635	E532-L574 HydrophobicContact CB-CD1 4.16Å; E532-L574 HydrophobicContact CB-CD2 3.95Å; E532-L574 HydrophobicContact CG-CD1 4.33Å; E532-L574 HydrophobicContact CG-CD2 3.88Å; T535-L574 HydrophobicContact CG2-CD1 3.75Å; I536-L574 HydrophobicContact CD1-CB 4.39Å; I536-L574 HydrophobicContact CG1-CB 4.08Å; I536-L574 HydrophobicContact CG1-CD1 4.45Å; H570-L574 PolarHBondContact O-N 3.22Å; H570-L574 VanDerWaalsContact O-N 3.15Å; L571-L574 HydrophobicContact CD2-CD2 4.26Å; L571-L574 WeakPolarHBondContact O-CB 3.15Å; L571-L574 PolarHBondContact O-N 2.76Å; T572-L574 VanDerWaalsContact C-N 3.31Å; T572-L574 PolarHBondContact O-N 3.11Å; L574-V576 PolarHBondContact O-N 2.98Å; L574-Y577 PolarHBondContact O-N 2.64Å; L574-H578 PolarHBondContact O-N 3.07Å; L574-I635 HydrophobicContact CD2-CD1 3.93Å
575	N	96.5	Very high	95	Very high	41 Å²	41	38.9 Å²	38.9	22%	0.219	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-44.4	177.7	-71.3	-14.4	0	0	0	112.2	F563 L571 T572 Y577 H578 A579	F563-N575 HydrophobicContact CB-CB 4.29Å; F563-N575 PolarHBondContact O-ND2 3.29Å; L571-N575 VanDerWaalsContact O-CG 3.29Å; L571-N575 PolarHBondContact O-N 2.65Å; T572-N575 WeakPolarHBondContact O-CB 3.38Å; T572-N575 PolarHBondContact O-N 3.27Å; N575-Y577 VanDerWaalsContact C-N 3.31Å; N575-Y577 PolarHBondContact O-N 2.99Å; N575-H578 PolarHBondContact O-N 3.2Å; N575-A579 WeakPolarHBondContact O-CB 3.45Å; N575-A579 PolarHBondContact O-N 3.47Å
576	V	96.1	Very high	94.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-44.3	176.2	172	0	0	0	0	110.8	M539 F546 F563 T572 L573 L574 A579 F580 I595 M600	M539-V576 HydrophobicContact CE-CG1 4.4Å; F546-V576 HydrophobicContact CE1-CG2 3.84Å; F546-V576 HydrophobicContact CZ-CG2 3.7Å; F563-V576 HydrophobicContact CB-CG2 3.68Å; F563-V576 HydrophobicContact CD1-CG2 4.2Å; F563-V576 HydrophobicContact CD2-CG2 3.94Å; F563-V576 HydrophobicContact CG-CG2 3.66Å; T572-V576 WeakPolarHBondContact O-CG2 3.3Å; T572-V576 PolarHBondContact O-N 3.41Å; L573-V576 PolarHBondContact O-N 3.1Å; L574-V576 PolarHBondContact O-N 2.98Å; V576-A579 PolarHBondContact O-N 2.96Å; V576-F580 WeakPolarHBondContact O-CB 3.29Å; V576-F580 PolarHBondContact O-N 2.85Å; V576-I595 HydrophobicContact CG1-CD1 3.83Å; V576-I595 HydrophobicContact CG1-CG1 4.26Å; V576-I595 HydrophobicContact CG1-CG2 4.21Å; V576-I595 HydrophobicContact CG2-CD1 4.32Å; V576-M600 HydrophobicContact CG1-CE 3.95Å; V576-M600 HydrophobicContact CG1-SD 3.92Å
577	Y	96.2	Very high	94.7	Very high	7 Å²	7	38.7 Å²	38.7	3%	0.027	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-45.1	178.8	-174.6	-87.1	0	0	0	112.7	T535 M539 L573 L574 N575 A579 F580 K581 M600 D604 R607	T535-Y577 HydrophobicContact CG2-CD1 3.19Å; T535-Y577 HydrophobicContact CG2-CD2 3.99Å; T535-Y577 HydrophobicContact CG2-CE1 3.83Å; T535-Y577 HydrophobicContact CG2-CG 3.28Å; M539-Y577 HydrophobicContact CG-CD2 4.35Å; M539-Y577 HydrophobicContact SD-CD2 3.9Å; L573-Y577 PolarHBondContact O-N 3.44Å; L573-Y577 VanDerWaalsContact O-N 3.1Å; L574-Y577 PolarHBondContact O-N 2.64Å; N575-Y577 VanDerWaalsContact C-N 3.31Å; N575-Y577 PolarHBondContact O-N 2.99Å; Y577-A579 VanDerWaalsContact C-N 3.35Å; Y577-A579 PolarHBondContact O-N 2.91Å; Y577-F580 PolarHBondContact O-N 2.78Å; Y577-K581 HydrophobicContact CD1-CG 4.09Å; Y577-K581 HydrophobicContact CE1-CD 4.32Å; Y577-K581 HydrophobicContact CE1-CG 3.6Å; Y577-K581 WeakPolarHBondContact O-CG 3.36Å; Y577-K581 PolarHBondContact O-N 3.43Å; Y577-M600 HydrophobicContact CD2-CE 3.91Å; Y577-M600 HydrophobicContact CG-CE 4.4Å; Y577-D604 HydrophobicContact CE2-CB 4.31Å; Y577-D604 PolarHBondContact OH-OD1 3.03Å; Y577-R607 WeakPolarHBondContact OH-CD 3.45Å
578	H	95.5	Very high	94.6	Very high	61 Å²	61	42.5 Å²	42.5	28%	0.282	21%	0.209	S	C	.	.	H	α-helix	trans	-60.5	-45.2	176.1	-71.3	170.7	0	0	0	111.5	L574 N575 F580 K581 Q582	L574-H578 PolarHBondContact O-N 3.07Å; N575-H578 PolarHBondContact O-N 3.2Å; H578-F580 PolarHBondContact O-N 2.96Å; H578-K581 PolarHBondContact O-N 2.86Å; H578-Q582 WeakPolarHBondContact O-CB 3.27Å; H578-Q582 VanDerWaalsContact O-CG 3.24Å; H578-Q582 WeakPolarHBondContact O-CG 3.43Å; H578-Q582 PolarHBondContact O-N 2.83Å
579	A	95.6	Very high	94.5	Very high	12 Å²	12	43.9 Å²	43.9	10%	0.099	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-41.2	177.6	0	0	0	0	0	111.9	F563 N575 V576 Y577 K581 Q582 N583 W589	F563-A579 HydrophobicContact CD1-CB 4.16Å; F563-A579 HydrophobicContact CE1-CB 3.6Å; N575-A579 WeakPolarHBondContact O-CB 3.45Å; N575-A579 PolarHBondContact O-N 3.47Å; V576-A579 PolarHBondContact O-N 2.96Å; Y577-A579 VanDerWaalsContact C-N 3.35Å; Y577-A579 PolarHBondContact O-N 2.91Å; A579-K581 PolarHBondContact O-N 2.76Å; A579-Q582 PolarHBondContact O-N 2.96Å; A579-N583 WeakPolarHBondContact O-CB 3.18Å; A579-N583 PolarHBondContact O-N 3.31Å; A579-N583 PolarHBondContact O-ND2 2.92Å; A579-W589 HydrophobicContact CB-CH2 3.79Å; A579-W589 HydrophobicContact CB-CZ2 3.54Å
580	F	95.5	Very high	94.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-42.8	175.9	176.1	-110.4	0	0	0	112.7	V576 Y577 H578 E585 W589 C590 Y597 M600 K601	V576-F580 WeakPolarHBondContact O-CB 3.29Å; V576-F580 PolarHBondContact O-N 2.85Å; Y577-F580 PolarHBondContact O-N 2.78Å; H578-F580 PolarHBondContact O-N 2.96Å; F580-E585 HydrophobicContact CD1-CG 4.32Å; F580-E585 HydrophobicContact CE1-CB 4.05Å; F580-E585 HydrophobicContact CE1-CG 3.67Å; F580-E585 HydrophobicContact CE2-CB 4.07Å; F580-E585 HydrophobicContact CZ-CB 3.61Å; F580-E585 HydrophobicContact CZ-CG 3.79Å; F580-E585 PolarHBondContact O-N 2.77Å; F580-E585 VanDerWaalsContact O-N 3.09Å; F580-W589 HydrophobicContact CB-CH2 4.24Å; F580-W589 HydrophobicContact CB-CZ3 3.82Å; F580-W589 HydrophobicContact CD2-CE3 4.15Å; F580-W589 AromaticContact CD2-CZ3 3.99Å; F580-W589 HydrophobicContact CD2-CZ3 3.99Å; F580-W589 HydrophobicContact CG-CZ3 4.43Å; F580-C590 VanDerWaalsContact CD2-SG 3.57Å; F580-C590 WeakPolarHBondContact CE2-SG 3.41Å; F580-Y597 AromaticContact CE2-CD2 3.83Å; F580-Y597 HydrophobicContact CE2-CD2 3.83Å; F580-Y597 HydrophobicContact CE2-CE2 4.01Å; F580-Y597 HydrophobicContact CZ-CD2 4.14Å; F580-Y597 HydrophobicContact CZ-CE2 4.04Å; F580-M600 HydrophobicContact CB-CE 3.71Å; F580-M600 HydrophobicContact CD1-CB 3.71Å; F580-M600 HydrophobicContact CD1-CE 3.96Å; F580-M600 HydrophobicContact CD1-CG 4.37Å; F580-M600 HydrophobicContact CD2-CB 4.03Å; F580-M600 HydrophobicContact CD2-CG 4.18Å; F580-M600 HydrophobicContact CE1-CB 3.56Å; F580-M600 HydrophobicContact CE2-CB 3.9Å; F580-M600 HydrophobicContact CE2-CG 4.43Å; F580-M600 HydrophobicContact CG-CB 3.93Å; F580-M600 HydrophobicContact CG-CE 3.92Å; F580-M600 HydrophobicContact CG-CG 4.14Å; F580-M600 HydrophobicContact CZ-CB 3.65Å; F580-K601 HydrophobicContact CZ-CD 4.46Å; F580-K601 HydrophobicContact CZ-CG 4.45Å
581	K	94.7	Very high	94	Very high	72 Å²	72	51.6 Å²	51.6	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-72.3	-36	177.6	-65.3	-63	-67.7	-173.3	0	112.7	Y577 H578 A579 N583 H584 E585 D604	Y577-K581 HydrophobicContact CD1-CG 4.09Å; Y577-K581 HydrophobicContact CE1-CD 4.32Å; Y577-K581 HydrophobicContact CE1-CG 3.6Å; Y577-K581 WeakPolarHBondContact O-CG 3.36Å; Y577-K581 PolarHBondContact O-N 3.43Å; H578-K581 PolarHBondContact O-N 2.86Å; A579-K581 PolarHBondContact O-N 2.76Å; K581-N583 VanDerWaalsContact C-N 3.3Å; K581-H584 PolarHBondContact O-N 3.15Å; K581-E585 HydrophobicContact CD-CG 4.3Å; K581-E585 IonicContact NZ-OE1 3.99Å; K581-E585 PolarHBondContact NZ-OE1 2.9Å; K581-D604 IonicContact NZ-OD1 3.83Å; K581-D604 IonicContact NZ-OD2 2.93Å; K581-D604 PolarHBondContact NZ-OD2 3.11Å
582	Q	94.7	Very high	93.7	Very high	142 Å²	142	55.9 Å²	55.9	66%	0.664	27%	0.267	S	S	*	.	H	α-helix	trans	-65.6	-34	175.5	-75.1	171.7	-2.4	0	0	112.2	H578 A579 H584	H578-Q582 WeakPolarHBondContact O-CB 3.27Å; H578-Q582 VanDerWaalsContact O-CG 3.24Å; H578-Q582 WeakPolarHBondContact O-CG 3.43Å; H578-Q582 PolarHBondContact O-N 2.83Å; A579-Q582 PolarHBondContact O-N 2.96Å; Q582-H584 PolarHBondContact O-N 2.98Å
583	N	94.4	Very high	93.6	Very high	65 Å²	65	56.6 Å²	56.6	35%	0.348	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	26.5	175.4	-68	-81.5	0	0	0	112.8	A579 K581 E585 D586 W589	A579-N583 WeakPolarHBondContact O-CB 3.18Å; A579-N583 PolarHBondContact O-N 3.31Å; A579-N583 PolarHBondContact O-ND2 2.92Å; K581-N583 VanDerWaalsContact C-N 3.3Å; N583-E585 PolarHBondContact O-N 2.92Å; N583-D586 VanDerWaalsContact O-CB 3.3Å; N583-D586 WeakPolarHBondContact O-CB 3.27Å; N583-D586 PolarHBondContact O-N 3.08Å; N583-D586 VanDerWaalsContact O-N 3.07Å; N583-W589 HydrophobicContact CB-CB 4.32Å; N583-W589 HydrophobicContact CB-CD2 4.04Å; N583-W589 HydrophobicContact CB-CG 3.78Å; N583-W589 PolarHBondContact ND2-NE1 2.86Å; N583-W589 VanDerWaalsContact ND2-NE1 3.15Å
584	H	92.4	Very high	93.3	Very high	169 Å²	169	57.6 Å²	57.6	78%	0.782	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	32.5	173.3	-55	-64	0	0	0	115.5	K581 Q582 D586	K581-H584 PolarHBondContact O-N 3.15Å; Q582-H584 PolarHBondContact O-N 2.98Å; H584-D586 PolarHBondContact O-N 3.31Å
585	E	90.5	Very high	93.2	Very high	52 Å²	52	57.9 Å²	57.9	24%	0.243	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	37.7	-179.9	-52.4	158.4	-152.4	0	0	112.1	F580 K581 N583 Y597 K601	F580-E585 HydrophobicContact CD1-CG 4.32Å; F580-E585 HydrophobicContact CE1-CB 4.05Å; F580-E585 HydrophobicContact CE1-CG 3.67Å; F580-E585 HydrophobicContact CE2-CB 4.07Å; F580-E585 HydrophobicContact CZ-CB 3.61Å; F580-E585 HydrophobicContact CZ-CG 3.79Å; F580-E585 PolarHBondContact O-N 2.77Å; F580-E585 VanDerWaalsContact O-N 3.09Å; K581-E585 HydrophobicContact CD-CG 4.3Å; K581-E585 IonicContact NZ-OE1 3.99Å; K581-E585 PolarHBondContact NZ-OE1 2.9Å; N583-E585 PolarHBondContact O-N 2.92Å; E585-Y597 VanDerWaalsContact O-CE2 3.26Å; E585-Y597 WeakPolarHBondContact O-CE2 2.98Å; E585-K601 IonicContact OE2-NZ 3.84Å; E585-K601 PolarHBondContact OE2-NZ 3.21Å
586	D	90.6	Very high	92.7	Very high	74 Å²	74	58.8 Å²	58.8	40%	0.396	28%	0.281	S	S	.	.			trans	-69.4	132.4	178.5	178.8	27.2	0	0	0	111.8	N583 H584 Q588 W589 C590	N583-D586 VanDerWaalsContact O-CB 3.3Å; N583-D586 WeakPolarHBondContact O-CB 3.27Å; N583-D586 PolarHBondContact O-N 3.08Å; N583-D586 VanDerWaalsContact O-N 3.07Å; H584-D586 PolarHBondContact O-N 3.31Å; D586-Q588 PolarHBondContact OD1-N 2.85Å; D586-W589 HydrophobicContact CB-CB 3.89Å; D586-W589 PolarHBondContact OD2-N 3.1Å; D586-C590 PolarHBondContact O-N 2.92Å; D586-C590 PolarHBondContact O-SG 3.33Å
587	V	91	Very high	92.4	Very high	59 Å²	59	62.3 Å²	62.3	36%	0.358	30%	0.295	S	S	.	.	H	α-helix	trans	-70.3	-40.1	177.2	179.2	0	0	0	0	109.9	C590 Y591 Y597	V587-C590 WeakPolarHBondContact O-CB 3.26Å; V587-C590 PolarHBondContact O-N 2.93Å; V587-Y591 HydrophobicContact CG1-CD2 3.89Å; V587-Y591 HydrophobicContact CG1-CE2 3.64Å; V587-Y591 VanDerWaalsContact O-CD2 3.27Å; V587-Y591 WeakPolarHBondContact O-CD2 3.42Å; V587-Y591 PolarHBondContact O-N 3.15Å; V587-Y591 VanDerWaalsContact O-N 3.14Å; V587-Y597 HydrophobicContact CG2-CD1 4.24Å; V587-Y597 HydrophobicContact CG2-CD2 3.99Å; V587-Y597 HydrophobicContact CG2-CE1 3.9Å; V587-Y597 HydrophobicContact CG2-CE2 3.64Å; V587-Y597 HydrophobicContact CG2-CG 4.26Å
588	Q	91.1	Very high	91.7	Very high	108 Å²	108	65.6 Å²	65.6	51%	0.505	31%	0.307	S	S	.	.	H	α-helix	trans	-67	-44.8	-178.7	-172.9	61	33.1	0	0	110.7	D586 C590 Y591 D592	D586-Q588 PolarHBondContact OD1-N 2.85Å; Q588-C590 PolarHBondContact O-N 3.02Å; Q588-Y591 WeakPolarHBondContact O-CB 3.39Å; Q588-Y591 PolarHBondContact O-N 2.81Å; Q588-D592 PolarHBondContact NE2-OD1 2.86Å; Q588-D592 VanDerWaalsContact O-CG 3.3Å; Q588-D592 PolarHBondContact O-N 3Å
589	W	93.7	Very high	91.3	Very high	30 Å²	30	62.9 Å²	62.9	11%	0.114	30%	0.295	C	S	.	.	H	α-helix	trans	-52.2	-39.4	171.9	-178.5	88.4	0	0	0	113.3	F563 A579 F580 N583 D586 N593 I595	F563-W589 HydrophobicContact CE1-CH2 4.11Å; F563-W589 AromaticContact CE1-CZ2 3.8Å; F563-W589 HydrophobicContact CE1-CZ2 3.8Å; F563-W589 AromaticContact CZ-CH2 3.89Å; F563-W589 HydrophobicContact CZ-CH2 3.89Å; F563-W589 AromaticContact CZ-CZ2 3.61Å; F563-W589 HydrophobicContact CZ-CZ2 3.61Å; A579-W589 HydrophobicContact CB-CH2 3.79Å; A579-W589 HydrophobicContact CB-CZ2 3.54Å; F580-W589 HydrophobicContact CB-CH2 4.24Å; F580-W589 HydrophobicContact CB-CZ3 3.82Å; F580-W589 HydrophobicContact CD2-CE3 4.15Å; F580-W589 AromaticContact CD2-CZ3 3.99Å; F580-W589 HydrophobicContact CD2-CZ3 3.99Å; F580-W589 HydrophobicContact CG-CZ3 4.43Å; N583-W589 HydrophobicContact CB-CB 4.32Å; N583-W589 HydrophobicContact CB-CD2 4.04Å; N583-W589 HydrophobicContact CB-CG 3.78Å; N583-W589 PolarHBondContact ND2-NE1 2.86Å; N583-W589 VanDerWaalsContact ND2-NE1 3.15Å; D586-W589 HydrophobicContact CB-CB 3.89Å; D586-W589 PolarHBondContact OD2-N 3.1Å; W589-N593 PolarHBondContact NE1-ND2 2.98Å; W589-N593 WeakPolarHBondContact O-CB 3.41Å; W589-N593 PolarHBondContact O-N 2.75Å; W589-N593 VanDerWaalsContact O-N 3.16Å; W589-N593 PolarHBondContact O-ND2 2.94Å; W589-I595 HydrophobicContact CH2-CG1 4.46Å; W589-I595 HydrophobicContact CZ3-CB 4.48Å; W589-I595 HydrophobicContact CZ3-CG1 4.32Å
590	C	91.5	Very high	91.1	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.007	29%	0.29	C	S	.	.	H	α-helix	trans	-65.9	-44	176.8	-70.3	0	0	0	0	111.9	F580 D586 V587 Q588 N593 F594 I595 Y597	F580-C590 VanDerWaalsContact CD2-SG 3.57Å; F580-C590 WeakPolarHBondContact CE2-SG 3.41Å; D586-C590 PolarHBondContact O-N 2.92Å; D586-C590 PolarHBondContact O-SG 3.33Å; V587-C590 WeakPolarHBondContact O-CB 3.26Å; V587-C590 PolarHBondContact O-N 2.93Å; Q588-C590 PolarHBondContact O-N 3.02Å; C590-N593 PolarHBondContact O-N 2.94Å; C590-F594 PolarHBondContact O-N 3.07Å; C590-F594 VanDerWaalsContact O-N 3.17Å; C590-I595 CarbonylContact C-O 3.57Å; C590-I595 HydrophobicContact CB-CB 4.43Å; C590-I595 WeakPolarHBondContact CB-O 3.5Å; C590-I595 PolarHBondContact O-N 3.11Å; C590-Y597 HydrophobicContact CB-CD2 4.48Å
591	Y	89.2	Confident	90.8	Very high	169 Å²	169	65.1 Å²	65.1	66%	0.663	30%	0.303	S	S	*	.	H	α-helix	trans	-61.5	-46.8	175.4	-83.1	-73.6	0	0	0	111.8	V587 Q588 N593 F594	V587-Y591 HydrophobicContact CG1-CD2 3.89Å; V587-Y591 HydrophobicContact CG1-CE2 3.64Å; V587-Y591 VanDerWaalsContact O-CD2 3.27Å; V587-Y591 WeakPolarHBondContact O-CD2 3.42Å; V587-Y591 PolarHBondContact O-N 3.15Å; V587-Y591 VanDerWaalsContact O-N 3.14Å; Q588-Y591 WeakPolarHBondContact O-CB 3.39Å; Q588-Y591 PolarHBondContact O-N 2.81Å; Y591-N593 PolarHBondContact O-N 3.19Å; Y591-F594 PolarHBondContact O-N 2.84Å
592	D	90.9	Very high	90.3	Very high	91 Å²	91	64.3 Å²	64.3	49%	0.487	30%	0.302	S	S	.	.	H	α-helix	trans	-65.4	-27	-176.8	-64.3	-16.7	0	0	0	113	Q588	Q588-D592 PolarHBondContact NE2-OD1 2.86Å; Q588-D592 VanDerWaalsContact O-CG 3.3Å; Q588-D592 PolarHBondContact O-N 3Å
593	N	93	Very high	90.1	Very high	16 Å²	16	57.5 Å²	57.5	9%	0.086	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	11.4	179.9	-67.8	-73.4	0	0	0	114	R562 F563 W589 C590 Y591 I595	R562-N593 PolarHBondContact NH1-OD1 3.2Å; F563-N593 HydrophobicContact CE2-CB 4.08Å; F563-N593 HydrophobicContact CZ-CB 4.1Å; W589-N593 PolarHBondContact NE1-ND2 2.98Å; W589-N593 WeakPolarHBondContact O-CB 3.41Å; W589-N593 PolarHBondContact O-N 2.75Å; W589-N593 VanDerWaalsContact O-N 3.16Å; W589-N593 PolarHBondContact O-ND2 2.94Å; C590-N593 PolarHBondContact O-N 2.94Å; Y591-N593 PolarHBondContact O-N 3.19Å; N593-I595 HydrophobicContact CB-CG1 4.1Å; N593-I595 PolarHBondContact O-N 2.91Å
594	F	91	Very high	90	Very high	40 Å²	40	54.8 Å²	54.8	18%	0.175	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	36.9	-178.5	-65.5	-96.9	0	0	0	113.1	V547 P549 A552 M555 A556 A559 C590 Y591	V547-F594 WeakPolarHBondContact CB-O 3.42Å; V547-F594 PolarHBondContact N-O 2.77Å; P549-F594 HydrophobicContact CG-CD1 4.4Å; P549-F594 HydrophobicContact CG-CE1 4.33Å; A552-F594 HydrophobicContact CB-CE1 3.99Å; A552-F594 HydrophobicContact CB-CZ 4.3Å; M555-F594 HydrophobicContact CB-CE2 3.86Å; M555-F594 HydrophobicContact CB-CZ 3.68Å; M555-F594 HydrophobicContact CE-CZ 4.38Å; A556-F594 HydrophobicContact CB-CB 4.26Å; A556-F594 HydrophobicContact CB-CD1 3.72Å; A556-F594 HydrophobicContact CB-CE1 4.15Å; A556-F594 HydrophobicContact CB-CG 3.92Å; A559-F594 HydrophobicContact CB-CB 4.44Å; A559-F594 HydrophobicContact CB-CD2 3.67Å; A559-F594 HydrophobicContact CB-CE2 4.44Å; A559-F594 HydrophobicContact CB-CG 4.47Å; C590-F594 PolarHBondContact O-N 3.07Å; C590-F594 VanDerWaalsContact O-N 3.17Å; Y591-F594 PolarHBondContact O-N 2.84Å
595	I	92.3	Very high	89.8	Confident	7 Å²	7	50.4 Å²	50.4	4%	0.036	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-102.6	136.5	177.1	-60	-56.2	0	0	0	109.9	C545 F546 F563 V576 W589 C590 N593 Y597 M600	C545-I595 CarbonylContact O-C 3.57Å; C545-I595 WeakPolarHBondContact O-CA 3.47Å; F546-I595 HydrophobicContact CD1-CD1 3.78Å; F546-I595 HydrophobicContact CE1-CD1 3.85Å; F563-I595 HydrophobicContact CE2-CD1 4.5Å; V576-I595 HydrophobicContact CG1-CD1 3.83Å; V576-I595 HydrophobicContact CG1-CG1 4.26Å; V576-I595 HydrophobicContact CG1-CG2 4.21Å; V576-I595 HydrophobicContact CG2-CD1 4.32Å; W589-I595 HydrophobicContact CH2-CG1 4.46Å; W589-I595 HydrophobicContact CZ3-CB 4.48Å; W589-I595 HydrophobicContact CZ3-CG1 4.32Å; C590-I595 CarbonylContact C-O 3.57Å; C590-I595 HydrophobicContact CB-CB 4.43Å; C590-I595 WeakPolarHBondContact CB-O 3.5Å; C590-I595 PolarHBondContact O-N 3.11Å; N593-I595 HydrophobicContact CB-CG1 4.1Å; N593-I595 PolarHBondContact O-N 2.91Å; I595-Y597 PolarHBondContact O-N 3.12Å; I595-Y597 VanDerWaalsContact O-N 3.1Å; I595-M600 HydrophobicContact CG2-CG 3.47Å; I595-M600 VanDerWaalsContact CG2-CG 3.47Å; I595-M600 HydrophobicContact CG2-SD 3.93Å
596	N	87.7	Confident	89.8	Confident	60 Å²	60	48.1 Å²	48.1	32%	0.321	23%	0.227	S	C	.	.			trans	-76.9	98.6	175.6	-171.7	-30.3	0	0	0	109.8	C545 V547 R598 S599 M600	C545-N596 PolarHBondContact O-N 3.42Å; V547-N596 HydrophobicContact CG2-CB 3.84Å; N596-R598 PolarHBondContact O-N 3.03Å; N596-R598 WeakPolarHBondContact OD1-CB 3.36Å; N596-R598 PolarHBondContact OD1-N 2.88Å; N596-S599 PolarHBondContact O-N 2.84Å; N596-S599 PolarHBondContact OD1-N 3.16Å; N596-M600 WeakPolarHBondContact O-CG 3.37Å; N596-M600 PolarHBondContact O-N 3.34Å; N596-M600 VanDerWaalsContact O-N 3.11Å
597	Y	89.7	Confident	90	Very high	74 Å²	74	47.2 Å²	47.2	29%	0.29	22%	0.218	S	C	.	.	H	α-helix	trans	-45.3	-40.4	176.5	178.3	-108.9	0	0	0	113	F580 E585 V587 C590 I595 M600 K601	F580-Y597 AromaticContact CE2-CD2 3.83Å; F580-Y597 HydrophobicContact CE2-CD2 3.83Å; F580-Y597 HydrophobicContact CE2-CE2 4.01Å; F580-Y597 HydrophobicContact CZ-CD2 4.14Å; F580-Y597 HydrophobicContact CZ-CE2 4.04Å; E585-Y597 VanDerWaalsContact O-CE2 3.26Å; E585-Y597 WeakPolarHBondContact O-CE2 2.98Å; V587-Y597 HydrophobicContact CG2-CD1 4.24Å; V587-Y597 HydrophobicContact CG2-CD2 3.99Å; V587-Y597 HydrophobicContact CG2-CE1 3.9Å; V587-Y597 HydrophobicContact CG2-CE2 3.64Å; V587-Y597 HydrophobicContact CG2-CG 4.26Å; C590-Y597 HydrophobicContact CB-CD2 4.48Å; I595-Y597 PolarHBondContact O-N 3.12Å; I595-Y597 VanDerWaalsContact O-N 3.1Å; Y597-M600 PolarHBondContact O-N 3.11Å; Y597-K601 HydrophobicContact CD1-CG 4.32Å; Y597-K601 HydrophobicContact CE1-CG 3.87Å; Y597-K601 HydrophobicContact CE2-CG 4.13Å; Y597-K601 PolarHBondContact O-N 3Å; Y597-K601 WeakPolarHBondContact OH-CE 3.36Å
598	R	80.4	Confident	90.1	Very high	75 Å²	75	48.7 Å²	48.7	28%	0.283	22%	0.222	S	C	.	.	H	α-helix	trans	-75.1	-38.4	-176.2	-172.2	169.7	176.5	-119.3	-6	113.1	T336 L337 P338 N596 M600 K601 N602	T336-R598 PolarHBondContact O-NH1 2.79Å; L337-R598 VanDerWaalsContact C-NH1 3.27Å; L337-R598 PolarHBondContact O-NH1 2.98Å; P338-R598 VanDerWaalsContact CD-NH1 3.29Å; P338-R598 VanDerWaalsContact CG-NH1 3.31Å; N596-R598 PolarHBondContact O-N 3.03Å; N596-R598 WeakPolarHBondContact OD1-CB 3.36Å; N596-R598 PolarHBondContact OD1-N 2.88Å; R598-M600 PolarHBondContact O-N 2.91Å; R598-K601 PolarHBondContact O-N 3.26Å; R598-N602 WeakPolarHBondContact O-CB 3.48Å; R598-N602 PolarHBondContact O-N 3.38Å; R598-N602 PolarHBondContact O-ND2 3.23Å
599	S	86.8	Confident	90	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.028	21%	0.208	C	C	.	.	H	α-helix	trans	-59.2	-40.9	170.3	-67.1	0	0	0	0	110.4	P543 Q544 N596 N602 A603	P543-S599 WeakPolarHBondContact O-CB 3.44Å; P543-S599 PolarHBondContact O-OG 3.31Å; Q544-S599 PolarHBondContact O-OG 2.8Å; N596-S599 PolarHBondContact O-N 2.84Å; N596-S599 PolarHBondContact OD1-N 3.16Å; S599-N602 PolarHBondContact O-N 2.99Å; S599-A603 WeakPolarHBondContact O-CB 3.48Å; S599-A603 PolarHBondContact O-N 3.3Å
600	M	92	Very high	90	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.9	-45.7	177.9	-60.5	-50.1	-63.4	0	0	112.9	M539 C545 V576 Y577 F580 I595 N596 Y597 R598 N602 A603 D604	M539-M600 HydrophobicContact CE-CE 3.92Å; M539-M600 HydrophobicContact CE-SD 3.65Å; M539-M600 HydrophobicContact SD-CE 3.77Å; M539-M600 HydrophobicContact SD-SD 3.93Å; C545-M600 HydrophobicContact CB-SD 3.85Å; V576-M600 HydrophobicContact CG1-CE 3.95Å; V576-M600 HydrophobicContact CG1-SD 3.92Å; Y577-M600 HydrophobicContact CD2-CE 3.91Å; Y577-M600 HydrophobicContact CG-CE 4.4Å; F580-M600 HydrophobicContact CB-CE 3.71Å; F580-M600 HydrophobicContact CD1-CB 3.71Å; F580-M600 HydrophobicContact CD1-CE 3.96Å; F580-M600 HydrophobicContact CD1-CG 4.37Å; F580-M600 HydrophobicContact CD2-CB 4.03Å; F580-M600 HydrophobicContact CD2-CG 4.18Å; F580-M600 HydrophobicContact CE1-CB 3.56Å; F580-M600 HydrophobicContact CE2-CB 3.9Å; F580-M600 HydrophobicContact CE2-CG 4.43Å; F580-M600 HydrophobicContact CG-CB 3.93Å; F580-M600 HydrophobicContact CG-CE 3.92Å; F580-M600 HydrophobicContact CG-CG 4.14Å; F580-M600 HydrophobicContact CZ-CB 3.65Å; I595-M600 HydrophobicContact CG2-CG 3.47Å; I595-M600 VanDerWaalsContact CG2-CG 3.47Å; I595-M600 HydrophobicContact CG2-SD 3.93Å; N596-M600 WeakPolarHBondContact O-CG 3.37Å; N596-M600 PolarHBondContact O-N 3.34Å; N596-M600 VanDerWaalsContact O-N 3.11Å; Y597-M600 PolarHBondContact O-N 3.11Å; R598-M600 PolarHBondContact O-N 2.91Å; M600-N602 VanDerWaalsContact C-N 3.34Å; M600-N602 PolarHBondContact O-N 2.92Å; M600-A603 WeakPolarHBondContact O-CB 3.24Å; M600-A603 PolarHBondContact O-N 2.9Å; M600-D604 PolarHBondContact O-N 3.22Å
601	K	88.9	Confident	90.1	Very high	59 Å²	59	44.8 Å²	44.8	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-60.7	-42.4	174.3	-77.2	-68.3	-168.4	171.9	0	112.4	F580 E585 Y597 R598 A603 D604 N605	F580-K601 HydrophobicContact CZ-CD 4.46Å; F580-K601 HydrophobicContact CZ-CG 4.45Å; E585-K601 IonicContact OE2-NZ 3.84Å; E585-K601 PolarHBondContact OE2-NZ 3.21Å; Y597-K601 HydrophobicContact CD1-CG 4.32Å; Y597-K601 HydrophobicContact CE1-CG 3.87Å; Y597-K601 HydrophobicContact CE2-CG 4.13Å; Y597-K601 PolarHBondContact O-N 3Å; Y597-K601 WeakPolarHBondContact OH-CE 3.36Å; R598-K601 PolarHBondContact O-N 3.26Å; K601-A603 VanDerWaalsContact C-N 3.33Å; K601-D604 PolarHBondContact O-N 3.07Å; K601-N605 PolarHBondContact O-N 3.34Å
602	N	84.4	Confident	90.3	Very high	55 Å²	55	44.6 Å²	44.6	29%	0.294	20%	0.204	S	C	.	.	H	α-helix	trans	-63.5	-40.9	175.1	-70.7	-19.3	0	0	0	111.2	V542 R598 S599 M600 N605 V606	V542-N602 HydrophobicContact CG1-CB 3.76Å; R598-N602 WeakPolarHBondContact O-CB 3.48Å; R598-N602 PolarHBondContact O-N 3.38Å; R598-N602 PolarHBondContact O-ND2 3.23Å; S599-N602 PolarHBondContact O-N 2.99Å; M600-N602 VanDerWaalsContact C-N 3.34Å; M600-N602 PolarHBondContact O-N 2.92Å; N602-N605 PolarHBondContact O-N 3.24Å; N602-V606 VanDerWaalsContact O-CG2 3.28Å; N602-V606 WeakPolarHBondContact O-CG2 3.49Å; N602-V606 PolarHBondContact O-N 2.79Å
603	A	91.2	Very high	90.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.8	-42.9	177.5	0	0	0	0	0	111	A538 M539 V542 S599 M600 K601 N605 V606 R607	A538-A603 WeakPolarHBondContact CB-O 3.4Å; M539-A603 HydrophobicContact CG-CB 4.49Å; M539-A603 HydrophobicContact SD-CB 3.63Å; V542-A603 HydrophobicContact CG1-CB 4.24Å; V542-A603 HydrophobicContact CG2-CB 3.95Å; S599-A603 WeakPolarHBondContact O-CB 3.48Å; S599-A603 PolarHBondContact O-N 3.3Å; M600-A603 WeakPolarHBondContact O-CB 3.24Å; M600-A603 PolarHBondContact O-N 2.9Å; K601-A603 VanDerWaalsContact C-N 3.33Å; A603-N605 PolarHBondContact O-N 3.19Å; A603-V606 PolarHBondContact O-N 2.81Å; A603-R607 VanDerWaalsContact O-CB 3.27Å; A603-R607 WeakPolarHBondContact O-CB 3.36Å; A603-R607 PolarHBondContact O-N 3.47Å
604	D	92.5	Very high	90.4	Very high	8 Å²	8	40.8 Å²	40.8	4%	0.043	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-43.6	175.9	-166.2	11.9	0	0	0	111.6	Y577 K581 M600 K601 V606 R607 Q608	Y577-D604 HydrophobicContact CE2-CB 4.31Å; Y577-D604 PolarHBondContact OH-OD1 3.03Å; K581-D604 IonicContact NZ-OD1 3.83Å; K581-D604 IonicContact NZ-OD2 2.93Å; K581-D604 PolarHBondContact NZ-OD2 3.11Å; M600-D604 PolarHBondContact O-N 3.22Å; K601-D604 PolarHBondContact O-N 3.07Å; D604-V606 PolarHBondContact O-N 3.1Å; D604-R607 WeakPolarHBondContact O-CB 3.26Å; D604-R607 PolarHBondContact O-N 3.47Å; D604-Q608 VanDerWaalsContact CG-NE2 3.34Å; D604-Q608 VanDerWaalsContact O-CG 3.3Å; D604-Q608 WeakPolarHBondContact O-CG 3.3Å; D604-Q608 PolarHBondContact O-N 2.98Å; D604-Q608 PolarHBondContact OD1-NE2 3.05Å; D604-Q608 PolarHBondContact OD2-NE2 2.94Å
605	N	88.3	Confident	90.6	Very high	77 Å²	77	42.7 Å²	42.7	41%	0.412	20%	0.196	S	C	.	.	H	α-helix	trans	-59.8	-44.6	174.8	-72	-18.1	0	0	0	112.4	K601 N602 A603 Q608 Q609	K601-N605 PolarHBondContact O-N 3.34Å; N602-N605 PolarHBondContact O-N 3.24Å; A603-N605 PolarHBondContact O-N 3.19Å; N605-Q608 PolarHBondContact O-N 3.24Å; N605-Q609 WeakPolarHBondContact O-CG 3.5Å; N605-Q609 PolarHBondContact O-N 2.99Å; N605-Q609 VanDerWaalsContact O-N 3.11Å
606	V	89.6	Confident	90.6	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-46.1	175.7	172.1	0	0	0	0	110.3	F168 A538 V542 N602 A603 D604 Q608 Q609 L610	F168-V606 HydrophobicContact CD1-CG2 4.09Å; F168-V606 HydrophobicContact CD2-CG2 3.59Å; F168-V606 HydrophobicContact CE1-CG1 4.16Å; F168-V606 HydrophobicContact CE1-CG2 4.1Å; F168-V606 HydrophobicContact CE2-CG2 3.6Å; F168-V606 HydrophobicContact CG-CG2 3.84Å; F168-V606 HydrophobicContact CZ-CG1 4.03Å; F168-V606 HydrophobicContact CZ-CG2 3.86Å; A538-V606 HydrophobicContact CB-CB 4.24Å; A538-V606 HydrophobicContact CB-CG1 4.03Å; V542-V606 HydrophobicContact CG1-CG2 4.36Å; N602-V606 VanDerWaalsContact O-CG2 3.28Å; N602-V606 WeakPolarHBondContact O-CG2 3.49Å; N602-V606 PolarHBondContact O-N 2.79Å; A603-V606 PolarHBondContact O-N 2.81Å; D604-V606 PolarHBondContact O-N 3.1Å; V606-Q608 VanDerWaalsContact C-N 3.35Å; V606-Q608 PolarHBondContact O-N 3.43Å; V606-Q609 PolarHBondContact O-N 3.22Å; V606-Q609 VanDerWaalsContact O-N 3.15Å; V606-L610 HydrophobicContact CG1-CD1 3.79Å; V606-L610 HydrophobicContact CG1-CG 4.17Å; V606-L610 WeakPolarHBondContact O-CG 3.46Å; V606-L610 PolarHBondContact O-N 3.46Å
607	R	94.7	Very high	90.8	Very high	54 Å²	54	49.7 Å²	49.7	20%	0.204	22%	0.221	C	C	.	.	H	α-helix	trans	-58.4	-45.3	179.1	-165.6	-170.6	168.9	-85.9	-3.2	111.7	L534 T535 A538 Y577 A603 D604 Q609 L610 A611	L534-R607 HydrophobicContact CD1-CG 4.33Å; L534-R607 HydrophobicContact CD2-CG 4.16Å; L534-R607 HydrophobicContact CG-CG 3.77Å; T535-R607 PolarHBondContact OG1-NE 3.05Å; A538-R607 HydrophobicContact CB-CB 3.68Å; A538-R607 HydrophobicContact CB-CG 4.26Å; Y577-R607 WeakPolarHBondContact OH-CD 3.45Å; A603-R607 VanDerWaalsContact O-CB 3.27Å; A603-R607 WeakPolarHBondContact O-CB 3.36Å; A603-R607 PolarHBondContact O-N 3.47Å; D604-R607 WeakPolarHBondContact O-CB 3.26Å; D604-R607 PolarHBondContact O-N 3.47Å; R607-Q609 VanDerWaalsContact C-N 3.33Å; R607-Q609 PolarHBondContact O-N 3.1Å; R607-L610 PolarHBondContact O-N 3.04Å; R607-A611 VanDerWaalsContact O-CB 3.29Å; R607-A611 WeakPolarHBondContact O-CB 3.4Å; R607-A611 PolarHBondContact O-N 2.91Å
608	Q	93.2	Very high	90.9	Very high	91 Å²	91	49.1 Å²	49.1	43%	0.425	24%	0.238	S	C	.	.	H	α-helix	trans	-65.2	-36	177.4	-69.8	171.9	29.2	0	0	112.3	D604 N605 V606 R612	D604-Q608 VanDerWaalsContact CG-NE2 3.34Å; D604-Q608 VanDerWaalsContact O-CG 3.3Å; D604-Q608 WeakPolarHBondContact O-CG 3.3Å; D604-Q608 PolarHBondContact O-N 2.98Å; D604-Q608 PolarHBondContact OD1-NE2 3.05Å; D604-Q608 PolarHBondContact OD2-NE2 2.94Å; N605-Q608 PolarHBondContact O-N 3.24Å; V606-Q608 VanDerWaalsContact C-N 3.35Å; V606-Q608 PolarHBondContact O-N 3.43Å; Q608-R612 WeakPolarHBondContact O-CG 3.21Å; Q608-R612 PolarHBondContact O-N 2.89Å; Q608-R612 VanDerWaalsContact O-N 3.1Å
609	Q	88.8	Confident	91.5	Very high	46 Å²	46	47.1 Å²	47.1	22%	0.215	23%	0.233	C	C	.	.	H	α-helix	trans	-69.3	-47.3	176	-75.8	-178	44.5	0	0	112.3	F168 N605 V606 R607 A611 R612 I613	F168-Q609 VanDerWaalsContact CA-OE1 3.3Å; F168-Q609 VanDerWaalsContact CD1-OE1 3.28Å; F168-Q609 PolarHBondContact O-NE2 3.38Å; N605-Q609 WeakPolarHBondContact O-CG 3.5Å; N605-Q609 PolarHBondContact O-N 2.99Å; N605-Q609 VanDerWaalsContact O-N 3.11Å; V606-Q609 PolarHBondContact O-N 3.22Å; V606-Q609 VanDerWaalsContact O-N 3.15Å; R607-Q609 VanDerWaalsContact C-N 3.33Å; R607-Q609 PolarHBondContact O-N 3.1Å; Q609-A611 VanDerWaalsContact C-N 3.28Å; Q609-A611 PolarHBondContact O-N 3.31Å; Q609-R612 WeakPolarHBondContact O-CB 3.38Å; Q609-R612 PolarHBondContact O-N 2.93Å; Q609-I613 WeakPolarHBondContact O-CG1 3.29Å; Q609-I613 PolarHBondContact O-N 3.29Å; Q609-I613 VanDerWaalsContact O-N 3.1Å
610	L	93.1	Very high	91.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-39.5	174.7	-67.4	176.5	0	0	0	111.2	F511 P512 L513 L534 T537 V606 R607 R612 I613 M614	F511-L610 HydrophobicContact CD1-CD2 3.85Å; P512-L610 HydrophobicContact CG-CD2 4.22Å; L513-L610 HydrophobicContact CD1-CD1 4.13Å; L513-L610 HydrophobicContact CD1-CD2 3.76Å; L513-L610 HydrophobicContact CD2-CD1 4.28Å; L513-L610 HydrophobicContact CD2-CD2 4.3Å; L513-L610 HydrophobicContact CG-CD2 3.96Å; L534-L610 HydrophobicContact CD1-CB 3.39Å; L534-L610 HydrophobicContact CD1-CD1 4.18Å; L534-L610 HydrophobicContact CD1-CG 4.45Å; T537-L610 HydrophobicContact CG2-CD1 3.91Å; V606-L610 HydrophobicContact CG1-CD1 3.79Å; V606-L610 HydrophobicContact CG1-CG 4.17Å; V606-L610 WeakPolarHBondContact O-CG 3.46Å; V606-L610 PolarHBondContact O-N 3.46Å; R607-L610 PolarHBondContact O-N 3.04Å; L610-R612 VanDerWaalsContact C-N 3.35Å; L610-R612 PolarHBondContact O-N 3.48Å; L610-I613 PolarHBondContact O-N 3.46Å; L610-I613 VanDerWaalsContact O-N 3.17Å; L610-M614 WeakPolarHBondContact O-CG 3.41Å; L610-M614 PolarHBondContact O-N 3.07Å
611	A	94.8	Very high	91.7	Very high	11 Å²	11	59.3 Å²	59.3	9%	0.091	28%	0.282	C	S	.	.	H	α-helix	trans	-58.7	-43.7	174	0	0	0	0	0	112.3	L534 R607 Q609 I613 M614 D615	L534-A611 HydrophobicContact CD2-CB 3.99Å; R607-A611 VanDerWaalsContact O-CB 3.29Å; R607-A611 WeakPolarHBondContact O-CB 3.4Å; R607-A611 PolarHBondContact O-N 2.91Å; Q609-A611 VanDerWaalsContact C-N 3.28Å; Q609-A611 PolarHBondContact O-N 3.31Å; A611-I613 VanDerWaalsContact C-N 3.31Å; A611-I613 PolarHBondContact O-N 3.36Å; A611-M614 WeakPolarHBondContact O-CB 3.43Å; A611-M614 PolarHBondContact O-N 3.09Å; A611-D615 WeakPolarHBondContact O-CB 3.5Å; A611-D615 VanDerWaalsContact O-CG 3.28Å; A611-D615 PolarHBondContact O-N 3.43Å
612	R	93.3	Very high	91.9	Very high	165 Å²	165	60.2 Å²	60.2	62%	0.623	29%	0.286	S	S	*	.	H	α-helix	trans	-61.6	-38.7	175.6	-75	-174.4	-76.4	169.3	-9.7	112.3	Q608 Q609 L610 R616	Q608-R612 WeakPolarHBondContact O-CG 3.21Å; Q608-R612 PolarHBondContact O-N 2.89Å; Q608-R612 VanDerWaalsContact O-N 3.1Å; Q609-R612 WeakPolarHBondContact O-CB 3.38Å; Q609-R612 PolarHBondContact O-N 2.93Å; L610-R612 VanDerWaalsContact C-N 3.35Å; L610-R612 PolarHBondContact O-N 3.48Å; R612-R616 WeakPolarHBondContact O-CB 2.99Å; R612-R616 PolarHBondContact O-N 2.84Å
613	I	92.1	Very high	92.3	Very high	26 Å²	26	60.5 Å²	60.5	13%	0.133	29%	0.292	C	S	.	.	H	α-helix	trans	-67.6	-44.1	176.3	-62	168.5	0	0	0	110.2	F511 P512 Q609 L610 A611 D615 R616 L617	F511-I613 HydrophobicContact CD1-CB 4.25Å; F511-I613 HydrophobicContact CD1-CD1 4.46Å; F511-I613 HydrophobicContact CD1-CG2 3.77Å; F511-I613 HydrophobicContact CE1-CB 3.86Å; F511-I613 HydrophobicContact CE1-CG2 3.46Å; F511-I613 VanDerWaalsContact CE1-CG2 3.46Å; F511-I613 HydrophobicContact CE2-CG2 4.41Å; F511-I613 HydrophobicContact CG-CG2 4.38Å; F511-I613 HydrophobicContact CZ-CG2 3.82Å; P512-I613 HydrophobicContact CG-CD1 4.27Å; Q609-I613 WeakPolarHBondContact O-CG1 3.29Å; Q609-I613 PolarHBondContact O-N 3.29Å; Q609-I613 VanDerWaalsContact O-N 3.1Å; L610-I613 PolarHBondContact O-N 3.46Å; L610-I613 VanDerWaalsContact O-N 3.17Å; A611-I613 VanDerWaalsContact C-N 3.31Å; A611-I613 PolarHBondContact O-N 3.36Å; I613-D615 PolarHBondContact O-N 3.32Å; I613-R616 PolarHBondContact O-N 3.07Å; I613-L617 HydrophobicContact CG2-CD1 3.66Å; I613-L617 HydrophobicContact CG2-CG 4.34Å; I613-L617 WeakPolarHBondContact O-CB 3.5Å; I613-L617 VanDerWaalsContact O-CG 3.3Å; I613-L617 WeakPolarHBondContact O-CG 3.15Å; I613-L617 PolarHBondContact O-N 3.31Å
614	M	94.3	Very high	92.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.9	-47.6	175	-71	178.4	75.4	0	0	111.8	F511 L521 L534 L610 A611 R616 L617 G618 L619 R621	F511-M614 HydrophobicContact CE1-CG 4.01Å; F511-M614 HydrophobicContact CZ-CG 4.01Å; L521-M614 HydrophobicContact CD1-CE 4.3Å; L521-M614 HydrophobicContact CD1-SD 3.86Å; L521-M614 HydrophobicContact CD2-CG 4.4Å; L521-M614 HydrophobicContact CD2-SD 4.24Å; L521-M614 HydrophobicContact CG-SD 4.17Å; L534-M614 HydrophobicContact CB-SD 4.43Å; L534-M614 HydrophobicContact CD1-SD 3.94Å; L534-M614 HydrophobicContact CD2-SD 4.1Å; L534-M614 HydrophobicContact CG-SD 4.37Å; L610-M614 WeakPolarHBondContact O-CG 3.41Å; L610-M614 PolarHBondContact O-N 3.07Å; A611-M614 WeakPolarHBondContact O-CB 3.43Å; A611-M614 PolarHBondContact O-N 3.09Å; M614-R616 PolarHBondContact O-N 2.98Å; M614-L617 CarbonylContact O-C 3.28Å; M614-L617 PolarHBondContact O-N 3.03Å; M614-G618 PolarHBondContact O-N 3.32Å; M614-G618 VanDerWaalsContact O-N 3.08Å; M614-L619 HydrophobicContact CB-CB 4.07Å; M614-L619 HydrophobicContact CE-CB 4.23Å; M614-L619 HydrophobicContact CG-CB 4.41Å; M614-L619 HydrophobicContact CG-CD1 4.24Å; M614-L619 PolarHBondContact O-N 3.25Å; M614-R621 HydrophobicContact CE-CG 4.03Å
615	D	94.1	Very high	92.4	Very high	81 Å²	81	68.2 Å²	68.2	43%	0.433	33%	0.329	S	S	.	.	H	α-helix	trans	-63.6	-41.3	179.4	-68.8	-15.4	0	0	0	110.9	A611 I613 L617 G618 R621	A611-D615 WeakPolarHBondContact O-CB 3.5Å; A611-D615 VanDerWaalsContact O-CG 3.28Å; A611-D615 PolarHBondContact O-N 3.43Å; I613-D615 PolarHBondContact O-N 3.32Å; D615-L617 VanDerWaalsContact C-N 3.33Å; D615-L617 PolarHBondContact O-N 2.8Å; D615-G618 PolarHBondContact O-N 3.27Å; D615-R621 IonicContact OD1-CZ 3.78Å; D615-R621 IonicContact OD1-NE 2.8Å; D615-R621 PolarHBondContact OD1-NE 2.71Å; D615-R621 IonicContact OD1-NH2 3.32Å; D615-R621 PolarHBondContact OD1-NH2 2.77Å; D615-R621 IonicContact OD2-CZ 3.75Å; D615-R621 IonicContact OD2-NE 3.84Å; D615-R621 IonicContact OD2-NH2 2.7Å; D615-R621 PolarHBondContact OD2-NH2 3.29Å
616	R	92.8	Very high	92.5	Very high	155 Å²	155	71 Å²	71	59%	0.585	34%	0.338	S	S	*	.	H	α-helix	trans	-62.3	-36.4	175.3	-177.2	-177.9	66	160.5	8.7	113	E510 R612 I613 M614 G618	E510-R616 IonicContact OE2-CZ 2.73Å; E510-R616 IonicContact OE2-NH2 3.28Å; E510-R616 PolarHBondContact OE2-NH2 2.67Å; R612-R616 WeakPolarHBondContact O-CB 2.99Å; R612-R616 PolarHBondContact O-N 2.84Å; I613-R616 PolarHBondContact O-N 3.07Å; M614-R616 PolarHBondContact O-N 2.98Å; R616-G618 VanDerWaalsContact C-N 3.32Å
617	L	91.8	Very high	92.5	Very high	59 Å²	59	76.8 Å²	76.8	31%	0.309	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	1.1	179.5	-63.2	171.8	0	0	0	112.9	V507 E510 F511 I613 M614 D615 L619	V507-L617 HydrophobicContact CG1-CD1 4.03Å; E510-L617 HydrophobicContact CB-CD1 3.99Å; E510-L617 HydrophobicContact CG-CD1 4.41Å; E510-L617 HydrophobicContact CG-CD2 4.3Å; F511-L617 HydrophobicContact CE2-CD1 3.84Å; F511-L617 HydrophobicContact CZ-CD1 3.98Å; I613-L617 HydrophobicContact CG2-CD1 3.66Å; I613-L617 HydrophobicContact CG2-CG 4.34Å; I613-L617 WeakPolarHBondContact O-CB 3.5Å; I613-L617 VanDerWaalsContact O-CG 3.3Å; I613-L617 WeakPolarHBondContact O-CG 3.15Å; I613-L617 PolarHBondContact O-N 3.31Å; M614-L617 CarbonylContact O-C 3.28Å; M614-L617 PolarHBondContact O-N 3.03Å; D615-L617 VanDerWaalsContact C-N 3.33Å; D615-L617 PolarHBondContact O-N 2.8Å; L617-L619 VanDerWaalsContact C-N 3.32Å; L617-L619 HydrophobicContact CB-CG 4.24Å; L617-L619 PolarHBondContact O-N 2.97Å
618	G	91.8	Very high	92.4	Very high	62 Å²	62	76.1 Å²	76.1	64%	0.639	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	19.5	-179.7	0	0	0	0	0	114.7	M614 D615 R616	M614-G618 PolarHBondContact O-N 3.32Å; M614-G618 VanDerWaalsContact O-N 3.08Å; D615-G618 PolarHBondContact O-N 3.27Å; R616-G618 VanDerWaalsContact C-N 3.32Å
619	L	92.4	Very high	92.2	Very high	33 Å²	33	81.3 Å²	81.3	17%	0.173	40%	0.398	C	S	.	.			trans	-78.3	121.8	178.9	-62.6	177.9	0	0	0	110.8	F511 I522 M614 L617 R621	F511-L619 HydrophobicContact CE2-CD1 4.08Å; F511-L619 HydrophobicContact CZ-CD1 3.77Å; I522-L619 HydrophobicContact CG1-CD1 4.17Å; M614-L619 HydrophobicContact CB-CB 4.07Å; M614-L619 HydrophobicContact CE-CB 4.23Å; M614-L619 HydrophobicContact CG-CB 4.41Å; M614-L619 HydrophobicContact CG-CD1 4.24Å; M614-L619 PolarHBondContact O-N 3.25Å; L617-L619 VanDerWaalsContact C-N 3.32Å; L617-L619 HydrophobicContact CB-CG 4.24Å; L617-L619 PolarHBondContact O-N 2.97Å; L619-R621 PolarHBondContact O-N 3.32Å
620	K	91.4	Very high	92.4	Very high	145 Å²	145	82.9 Å²	82.9	63%	0.63	41%	0.408	S	S	*	.			trans	-71	125.5	-175.6	-65.6	-178.7	-178.9	177.3	0	111.5	C525 S530 K622	C525-K620 PolarHBondContact SG-O 2.81Å; C525-K620 VanDerWaalsContact SG-O 3.34Å; S530-K620 PolarHBondContact OG-O 3.3Å; S530-K620 VanDerWaalsContact OG-O 3.13Å; K620-K622 HydrophobicContact CB-CG 4.21Å; K620-K622 PolarHBondContact O-N 3.21Å
621	R	92.5	Very high	92.4	Very high	114 Å²	114	83.3 Å²	83.3	43%	0.43	41%	0.41	S	S	.	.			trans	-87.1	95	171.8	-68	-172.9	-72.2	131.7	-10.6	111.4	S530 M614 D615 L619	S530-R621 WeakPolarHBondContact OG-CA 3.5Å; M614-R621 HydrophobicContact CE-CG 4.03Å; D615-R621 IonicContact OD1-CZ 3.78Å; D615-R621 IonicContact OD1-NE 2.8Å; D615-R621 PolarHBondContact OD1-NE 2.71Å; D615-R621 IonicContact OD1-NH2 3.32Å; D615-R621 PolarHBondContact OD1-NH2 2.77Å; D615-R621 IonicContact OD2-CZ 3.75Å; D615-R621 IonicContact OD2-NE 3.84Å; D615-R621 IonicContact OD2-NH2 2.7Å; D615-R621 PolarHBondContact OD2-NH2 3.29Å; L619-R621 PolarHBondContact O-N 3.32Å
622	K	92.5	Very high	92.4	Very high	79 Å²	79	85.7 Å²	85.7	34%	0.343	42%	0.417	S	S	.	.			trans	-111	153.9	177.9	-57.8	179.6	-176.2	169.3	0	112.1	N528 S530 N531 K620	N528-K622 HydrophobicContact CB-CB 4.36Å; N528-K622 HydrophobicContact CB-CD 4.36Å; N528-K622 WeakPolarHBondContact OD1-CD 2.88Å; N528-K622 PolarHBondContact OD1-NZ 2.97Å; S530-K622 PolarHBondContact N-O 3.33Å; S530-K622 VanDerWaalsContact N-O 3.08Å; S530-K622 PolarHBondContact OG-N 3.01Å; S530-K622 PolarHBondContact OG-O 2.92Å; N531-K622 PolarHBondContact N-O 2.85Å; K620-K622 HydrophobicContact CB-CG 4.21Å; K620-K622 PolarHBondContact O-N 3.21Å
623	S	93.8	Very high	92.5	Very high	60 Å²	60	79.6 Å²	79.6	42%	0.42	40%	0.397	S	S	.	.			trans	-135.6	143.1	167.8	178.3	0	0	0	0	108	N528 E532	N528-S623 CarbonylContact O-C 3.57Å; N528-S623 VanDerWaalsContact O-CA 3.3Å; N528-S623 WeakPolarHBondContact O-CA 3.38Å; E532-S623 WeakPolarHBondContact OE1-CB 3.4Å; E532-S623 PolarHBondContact OE1-OG 2.84Å
624	T	93.3	Very high	92.6	Very high	24 Å²	24	79.4 Å²	79.4	15%	0.147	40%	0.396	C	S	.	.			trans	-79.4	151.4	173.3	-58.9	0	0	0	0	108.2	N528 F626 Y631 N634	N528-T624 PolarHBondContact O-N 2.92Å; N528-T624 PolarHBondContact O-OG1 3.42Å; T624-F626 PolarHBondContact O-N 2.78Å; T624-Y631 VanDerWaalsContact O-CD2 3.23Å; T624-Y631 WeakPolarHBondContact O-CD2 3.38Å; T624-Y631 WeakPolarHBondContact O-CE2 3.3Å; T624-N634 PolarHBondContact OG1-ND2 2.77Å
625	E	91.5	Very high	92.7	Very high	146 Å²	146	79.4 Å²	79.4	68%	0.682	40%	0.396	S	S	*	.			trans	-57.9	131.3	174.1	-67	-174.8	176.2	0	0	110.9	T627 S628	E625-T627 PolarHBondContact O-N 2.85Å; E625-S628 VanDerWaalsContact O-CB 3.23Å; E625-S628 WeakPolarHBondContact O-CB 3.46Å; E625-S628 PolarHBondContact O-N 2.91Å
626	F	90.3	Very high	92.8	Very high	137 Å²	137	76.2 Å²	76.2	60%	0.601	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.9	-176.4	-178.2	-101.7	0	0	0	113.4	T624 S628 Y631 Y632	T624-F626 PolarHBondContact O-N 2.78Å; F626-S628 PolarHBondContact O-N 2.85Å; F626-Y631 AromaticContact CD2-CD1 3.98Å; F626-Y631 HydrophobicContact CD2-CD1 3.98Å; F626-Y631 AromaticContact CD2-CE1 3.8Å; F626-Y631 HydrophobicContact CD2-CE1 3.8Å; F626-Y631 HydrophobicContact CD2-CE2 4.47Å; F626-Y631 HydrophobicContact CD2-CG 4.39Å; F626-Y631 HydrophobicContact CE2-CD1 4.38Å; F626-Y631 HydrophobicContact CE2-CE1 4.16Å; F626-Y632 HydrophobicContact CE2-CE2 4.49Å; F626-Y632 WeakPolarHBondContact CE2-OH 3.37Å
627	T	90.5	Very high	92.9	Very high	124 Å²	124	71.3 Å²	71.3	76%	0.761	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.7	176.2	49.7	0	0	0	0	113.1	E625	E625-T627 PolarHBondContact O-N 2.85Å
628	S	91.9	Very high	93.1	Very high	41 Å²	41	68.5 Å²	68.5	29%	0.287	35%	0.346	S	S	.	.	S	Bend	trans	-72.4	137.4	178.4	-178.5	0	0	0	0	110.9	E625 F626 D630 Y631	E625-S628 VanDerWaalsContact O-CB 3.23Å; E625-S628 WeakPolarHBondContact O-CB 3.46Å; E625-S628 PolarHBondContact O-N 2.91Å; F626-S628 PolarHBondContact O-N 2.85Å; S628-D630 PolarHBondContact O-N 2.62Å; S628-D630 VanDerWaalsContact O-N 3.1Å; S628-D630 PolarHBondContact OG-N 3.37Å; S628-D630 VanDerWaalsContact OG-N 3.12Å; S628-Y631 WeakPolarHBondContact O-CB 3.34Å; S628-Y631 PolarHBondContact O-N 2.89Å; S628-Y631 VanDerWaalsContact O-N 3.11Å
629	K	89.4	Confident	93.3	Very high	199 Å²	199	65.7 Å²	65.7	87%	0.865	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.4	170	-64.8	-178.7	179.8	178	0	112.2
630	D	92.1	Very high	93.5	Very high	79 Å²	79	64.1 Å²	64.1	42%	0.422	31%	0.308	S	S	.	.	H	α-helix	trans	-82.2	-10.5	-178.4	-63.1	-41.5	0	0	0	113.5	S628 L633 N634	S628-D630 PolarHBondContact O-N 2.62Å; S628-D630 VanDerWaalsContact O-N 3.1Å; S628-D630 PolarHBondContact OG-N 3.37Å; S628-D630 VanDerWaalsContact OG-N 3.12Å; D630-L633 PolarHBondContact O-N 2.89Å; D630-N634 VanDerWaalsContact O-CB 3.24Å; D630-N634 WeakPolarHBondContact O-CB 3.35Å; D630-N634 PolarHBondContact O-N 2.8Å; D630-N634 PolarHBondContact O-ND2 3.21Å
631	Y	94.5	Very high	93.6	Very high	10 Å²	10	57.6 Å²	57.6	4%	0.039	28%	0.281	C	S	.	.	H	α-helix	trans	-54.5	-63.1	-176.1	-176.4	-98.4	0	0	0	112.3	E532 T624 F626 S628 L633 N634 I635	E532-Y631 HydrophobicContact CG-CE2 4.24Å; E532-Y631 WeakPolarHBondContact CG-OH 3.24Å; E532-Y631 WeakPolarHBondContact OE1-CE2 3.38Å; E532-Y631 PolarHBondContact OE1-OH 2.87Å; T624-Y631 VanDerWaalsContact O-CD2 3.23Å; T624-Y631 WeakPolarHBondContact O-CD2 3.38Å; T624-Y631 WeakPolarHBondContact O-CE2 3.3Å; F626-Y631 AromaticContact CD2-CD1 3.98Å; F626-Y631 HydrophobicContact CD2-CD1 3.98Å; F626-Y631 AromaticContact CD2-CE1 3.8Å; F626-Y631 HydrophobicContact CD2-CE1 3.8Å; F626-Y631 HydrophobicContact CD2-CE2 4.47Å; F626-Y631 HydrophobicContact CD2-CG 4.39Å; F626-Y631 HydrophobicContact CE2-CD1 4.38Å; F626-Y631 HydrophobicContact CE2-CE1 4.16Å; S628-Y631 WeakPolarHBondContact O-CB 3.34Å; S628-Y631 PolarHBondContact O-N 2.89Å; S628-Y631 VanDerWaalsContact O-N 3.11Å; Y631-L633 VanDerWaalsContact C-N 3.33Å; Y631-L633 PolarHBondContact O-N 3.09Å; Y631-N634 PolarHBondContact O-N 2.57Å; Y631-I635 HydrophobicContact CD1-CD1 4.11Å; Y631-I635 HydrophobicContact CE1-CD1 3.79Å; Y631-I635 WeakPolarHBondContact O-CG1 3.46Å; Y631-I635 PolarHBondContact O-N 2.93Å
632	Y	94.8	Very high	93.7	Very high	60 Å²	60	52.2 Å²	52.2	24%	0.235	26%	0.261	C	S	.	.	H	α-helix	trans	-69.2	-32.4	178.7	-65	-64.7	0	0	0	112.7	H565 L571 F626 N634 I635 R636	H565-Y632 AromaticContact CD2-CE1 3.6Å; H565-Y632 AromaticContact CD2-CZ 3.8Å; H565-Y632 AromaticContact NE2-CD1 3.41Å; H565-Y632 WeakPolarHBondContact NE2-CD1 3.36Å; H565-Y632 AromaticContact NE2-CD2 3.76Å; H565-Y632 AromaticContact NE2-CE1 3.27Å; H565-Y632 VanDerWaalsContact NE2-CE1 3.27Å; H565-Y632 WeakPolarHBondContact NE2-CE1 3.42Å; H565-Y632 AromaticContact NE2-CE2 3.63Å; H565-Y632 AromaticContact NE2-CG 3.63Å; H565-Y632 AromaticContact NE2-CZ 3.36Å; L571-Y632 HydrophobicContact CD1-CD1 3.81Å; L571-Y632 HydrophobicContact CD1-CG 4.43Å; L571-Y632 HydrophobicContact CD2-CD1 3.91Å; L571-Y632 HydrophobicContact CD2-CE1 4.46Å; L571-Y632 HydrophobicContact CG-CD1 4.4Å; F626-Y632 HydrophobicContact CE2-CE2 4.49Å; F626-Y632 WeakPolarHBondContact CE2-OH 3.37Å; Y632-N634 PolarHBondContact O-N 3.35Å; Y632-I635 HydrophobicContact CD1-CD1 4.45Å; Y632-I635 PolarHBondContact O-N 2.9Å; Y632-R636 VanDerWaalsContact O-CG 3.3Å; Y632-R636 WeakPolarHBondContact O-CG 3.38Å; Y632-R636 PolarHBondContact O-N 3.24Å
633	L	94.3	Very high	93.7	Very high	38 Å²	38	48.7 Å²	48.7	20%	0.199	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-44.1	178.2	-175.8	67.7	0	0	0	111.7	D630 Y631 R636 K637 W703	D630-L633 PolarHBondContact O-N 2.89Å; Y631-L633 VanDerWaalsContact C-N 3.33Å; Y631-L633 PolarHBondContact O-N 3.09Å; L633-R636 PolarHBondContact O-N 2.82Å; L633-K637 HydrophobicContact CG-CD 4.39Å; L633-K637 WeakPolarHBondContact O-CG 3.44Å; L633-K637 PolarHBondContact O-N 2.94Å; L633-W703 HydrophobicContact CD1-CH2 3.59Å; L633-W703 HydrophobicContact CD1-CZ2 3.14Å; L633-W703 HydrophobicContact CG-CZ2 4.43Å
634	N	95.3	Very high	93.7	Very high	22 Å²	22	46.1 Å²	46.1	12%	0.118	23%	0.227	C	C	.	.	H	α-helix	trans	-66.5	-41.1	-180	-74.9	-15	0	0	0	111.4	F527 C529 T624 D630 Y631 Y632 K637 A638	F527-N634 HydrophobicContact CB-CB 4.28Å; F527-N634 WeakPolarHBondContact O-CB 3.42Å; F527-N634 PolarHBondContact O-ND2 3.12Å; C529-N634 HydrophobicContact CB-CB 4.31Å; C529-N634 PolarHBondContact SG-O 3.41Å; T624-N634 PolarHBondContact OG1-ND2 2.77Å; D630-N634 VanDerWaalsContact O-CB 3.24Å; D630-N634 WeakPolarHBondContact O-CB 3.35Å; D630-N634 PolarHBondContact O-N 2.8Å; D630-N634 PolarHBondContact O-ND2 3.21Å; Y631-N634 PolarHBondContact O-N 2.57Å; Y632-N634 PolarHBondContact O-N 3.35Å; N634-K637 PolarHBondContact O-N 2.9Å; N634-A638 WeakPolarHBondContact O-CB 3.49Å; N634-A638 PolarHBondContact O-N 3.46Å
635	I	96.2	Very high	93.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-47.5	176	-59.8	165	0	0	0	110.3	C529 E532 I533 I536 L571 L574 Y631 Y632 K637 A638 L639	C529-I635 HydrophobicContact CB-CG1 3.77Å; E532-I635 HydrophobicContact CB-CD1 3.81Å; E532-I635 HydrophobicContact CB-CG1 3.95Å; E532-I635 HydrophobicContact CG-CD1 3.74Å; E532-I635 HydrophobicContact CG-CG1 4.27Å; I533-I635 HydrophobicContact CD1-CG2 3.97Å; I536-I635 HydrophobicContact CD1-CG2 3.61Å; L571-I635 HydrophobicContact CD2-CB 4.13Å; L571-I635 HydrophobicContact CD2-CD1 3.97Å; L571-I635 HydrophobicContact CD2-CG2 3.64Å; L574-I635 HydrophobicContact CD2-CD1 3.93Å; Y631-I635 HydrophobicContact CD1-CD1 4.11Å; Y631-I635 HydrophobicContact CE1-CD1 3.79Å; Y631-I635 WeakPolarHBondContact O-CG1 3.46Å; Y631-I635 PolarHBondContact O-N 2.93Å; Y632-I635 HydrophobicContact CD1-CD1 4.45Å; Y632-I635 PolarHBondContact O-N 2.9Å; I635-K637 PolarHBondContact O-N 2.84Å; I635-A638 PolarHBondContact O-N 2.92Å; I635-L639 WeakPolarHBondContact O-CG 3.22Å; I635-L639 PolarHBondContact O-N 3.28Å
636	R	96.1	Very high	93.7	Very high	14 Å²	14	40.6 Å²	40.6	5%	0.053	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-42.3	178.2	-68.5	167.1	63.4	-176.8	-0.7	112.1	D567 L571 Y632 L633 L639 V640 T697 E698 W703	D567-R636 IonicContact OD1-CZ 3.67Å; D567-R636 IonicContact OD1-NH1 3.31Å; D567-R636 PolarHBondContact OD1-NH1 3.08Å; D567-R636 WeakPolarHBondContact OD2-CD 3.38Å; D567-R636 IonicContact OD2-CZ 3.69Å; D567-R636 IonicContact OD2-NE 3.76Å; D567-R636 IonicContact OD2-NH1 2.61Å; D567-R636 PolarHBondContact OD2-NH1 2.81Å; L571-R636 HydrophobicContact CD1-CG 4.35Å; Y632-R636 VanDerWaalsContact O-CG 3.3Å; Y632-R636 WeakPolarHBondContact O-CG 3.38Å; Y632-R636 PolarHBondContact O-N 3.24Å; L633-R636 PolarHBondContact O-N 2.82Å; R636-L639 PolarHBondContact O-N 2.95Å; R636-V640 PolarHBondContact O-N 3.46Å; R636-T697 HydrophobicContact CG-CG2 3.93Å; R636-E698 IonicContact CZ-OE1 2.8Å; R636-E698 PolarHBondContact NE-O 3.17Å; R636-E698 IonicContact NH1-OE1 2.77Å; R636-E698 VanDerWaalsContact NH2-C 3.34Å; R636-E698 VanDerWaalsContact NH2-CG 3.3Å; R636-E698 PolarHBondContact NH2-O 3.22Å; R636-E698 IonicContact NH2-OE1 3.67Å; R636-E698 PolarHBondContact NH2-OE1 3.26Å; R636-W703 HydrophobicContact CB-CH2 4.15Å; R636-W703 HydrophobicContact CB-CZ3 3.69Å
637	K	95.4	Very high	94	Very high	52 Å²	52	34.1 Å²	34.1	23%	0.226	17%	0.172	C	C	.	.	H	α-helix	trans	-62.8	-41.3	174	-74.4	172.2	-178.1	168.9	0	112.2	F527 L633 N634 I635 L639 V640 S641 W703 L707	F527-K637 HydrophobicContact CD1-CB 3.95Å; F527-K637 HydrophobicContact CD1-CD 4.38Å; F527-K637 HydrophobicContact CE1-CB 3.79Å; F527-K637 HydrophobicContact CE1-CD 4.27Å; F527-K637 HydrophobicContact CZ-CB 4.31Å; L633-K637 HydrophobicContact CG-CD 4.39Å; L633-K637 WeakPolarHBondContact O-CG 3.44Å; L633-K637 PolarHBondContact O-N 2.94Å; N634-K637 PolarHBondContact O-N 2.9Å; I635-K637 PolarHBondContact O-N 2.84Å; K637-L639 VanDerWaalsContact C-N 3.34Å; K637-L639 PolarHBondContact O-N 3.23Å; K637-V640 WeakPolarHBondContact O-CB 3.49Å; K637-V640 PolarHBondContact O-N 3.02Å; K637-S641 PolarHBondContact O-N 3.49Å; K637-W703 HydrophobicContact CG-CD2 3.81Å; K637-W703 HydrophobicContact CG-CE3 4.1Å; K637-W703 HydrophobicContact CG-CG 4.12Å; K637-L707 HydrophobicContact CB-CD1 4.29Å; K637-L707 WeakPolarHBondContact O-CD1 3.26Å
638	A	95.9	Very high	94.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.7	-41.7	177	0	0	0	0	0	111.4	F527 I533 N634 I635 V640 S641	F527-A638 HydrophobicContact CB-CB 4.33Å; F527-A638 HydrophobicContact CD2-CB 3.77Å; F527-A638 HydrophobicContact CE2-CB 4.46Å; F527-A638 HydrophobicContact CG-CB 4.24Å; I533-A638 HydrophobicContact CD1-CB 3.82Å; I533-A638 HydrophobicContact CG1-CB 3.82Å; N634-A638 WeakPolarHBondContact O-CB 3.49Å; N634-A638 PolarHBondContact O-N 3.46Å; I635-A638 PolarHBondContact O-N 2.92Å; A638-V640 VanDerWaalsContact C-N 3.29Å; A638-V640 PolarHBondContact O-N 2.62Å; A638-S641 WeakPolarHBondContact O-CB 3.4Å; A638-S641 PolarHBondContact O-N 2.96Å; A638-S641 PolarHBondContact O-OG 2.86Å
639	L	96.1	Very high	94.4	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-57.9	-40.4	174.3	-66.7	171.7	0	0	0	112.5	T520 I533 I536 H570 I635 R636 K637 S641 G642 F643 L681 T697	T520-L639 HydrophobicContact CG2-CD2 4.24Å; I533-L639 HydrophobicContact CD1-CD2 3.96Å; I533-L639 HydrophobicContact CD1-CG 4.14Å; I536-L639 HydrophobicContact CG2-CD2 4.32Å; H570-L639 HydrophobicContact CB-CD1 3.7Å; I635-L639 WeakPolarHBondContact O-CG 3.22Å; I635-L639 PolarHBondContact O-N 3.28Å; R636-L639 PolarHBondContact O-N 2.95Å; K637-L639 VanDerWaalsContact C-N 3.34Å; K637-L639 PolarHBondContact O-N 3.23Å; L639-S641 PolarHBondContact O-N 2.85Å; L639-G642 PolarHBondContact O-N 2.99Å; L639-F643 PolarHBondContact O-N 3.07Å; L639-L681 HydrophobicContact CB-CD1 4.11Å; L639-T697 HydrophobicContact CD1-CG2 4.31Å
640	V	95.8	Very high	94.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.4	-33.9	176.7	176.2	0	0	0	0	111.5	R636 K637 A638 G642 F644 L681 V699 W703 L704 L707	R636-V640 PolarHBondContact O-N 3.46Å; K637-V640 WeakPolarHBondContact O-CB 3.49Å; K637-V640 PolarHBondContact O-N 3.02Å; A638-V640 VanDerWaalsContact C-N 3.29Å; A638-V640 PolarHBondContact O-N 2.62Å; V640-G642 PolarHBondContact O-N 2.82Å; V640-G642 VanDerWaalsContact O-N 3.16Å; V640-F644 HydrophobicContact CG1-CB 4.34Å; V640-F644 WeakPolarHBondContact O-CB 3.05Å; V640-F644 WeakPolarHBondContact O-CD1 3.35Å; V640-F644 PolarHBondContact O-N 3.23Å; V640-L681 HydrophobicContact CB-CD1 4.48Å; V640-L681 HydrophobicContact CG2-CD1 3.98Å; V640-V699 HydrophobicContact CG2-CB 4.21Å; V640-V699 HydrophobicContact CG2-CG1 3.73Å; V640-W703 HydrophobicContact CG2-CE3 4.25Å; V640-L704 HydrophobicContact CG1-CD2 3.79Å; V640-L707 HydrophobicContact CB-CD1 3.94Å; V640-L707 HydrophobicContact CG1-CB 4.27Å; V640-L707 HydrophobicContact CG1-CD1 3.95Å
641	S	94	Very high	94.7	Very high	9 Å²	9	16.5 Å²	16.5	6%	0.063	8%	0.078	C	C	.	.	H	α-helix	trans	-61	-26.3	-176.3	72.8	0	0	0	0	115	K519 S523 K637 A638 L639 F644	K519-S641 WeakPolarHBondContact CG-O 3.47Å; S523-S641 WeakPolarHBondContact CB-OG 3.4Å; K637-S641 PolarHBondContact O-N 3.49Å; A638-S641 WeakPolarHBondContact O-CB 3.4Å; A638-S641 PolarHBondContact O-N 2.96Å; A638-S641 PolarHBondContact O-OG 2.86Å; L639-S641 PolarHBondContact O-N 2.85Å; S641-F644 WeakPolarHBondContact O-CD1 3.36Å; S641-F644 WeakPolarHBondContact O-CE1 3.36Å
642	G	93.1	Very high	94.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-112.6	-27.7	175.4	0	0	0	0	0	114.8	Q516 T520 L639 V640	Q516-G642 WeakPolarHBondContact CB-O 2.89Å; Q516-G642 WeakPolarHBondContact CG-O 3.44Å; T520-G642 VanDerWaalsContact OG1-CA 3.32Å; T520-G642 WeakPolarHBondContact OG1-CA 3.31Å; T520-G642 PolarHBondContact OG1-N 2.83Å; L639-G642 PolarHBondContact O-N 2.99Å; V640-G642 PolarHBondContact O-N 2.82Å; V640-G642 VanDerWaalsContact O-N 3.16Å
643	F	94.2	Very high	94.2	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.026	14%	0.138	C	C	.	.	H	α-helix	trans	-102.7	19.7	-178.3	-69.2	-85.8	0	0	0	113.6	Q516 L517 L639 T645 Q646 L681 N683	Q516-F643 HydrophobicContact CB-CD1 4.4Å; Q516-F643 HydrophobicContact CB-CE1 4.27Å; Q516-F643 HydrophobicContact CB-CZ 4.44Å; L517-F643 HydrophobicContact CD2-CE2 3.73Å; L517-F643 HydrophobicContact CD2-CZ 3.58Å; L517-F643 HydrophobicContact CG-CE2 4.41Å; L517-F643 HydrophobicContact CG-CZ 3.96Å; L639-F643 PolarHBondContact O-N 3.07Å; F643-T645 PolarHBondContact O-N 3.32Å; F643-T645 VanDerWaalsContact O-N 3.11Å; F643-Q646 HydrophobicContact CD1-CB 4.47Å; F643-Q646 CarbonylContact O-C 3.5Å; F643-Q646 PolarHBondContact O-N 2.76Å; F643-L681 HydrophobicContact CB-CD1 3.77Å; F643-L681 HydrophobicContact CB-CD2 3.77Å; F643-L681 HydrophobicContact CB-CG 3.8Å; F643-L681 HydrophobicContact CG-CD2 4.25Å; F643-N683 WeakPolarHBondContact CE1-OD1 3.29Å; F643-N683 WeakPolarHBondContact CZ-OD1 3.36Å
644	F	93.9	Very high	94	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.026	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.5	178.6	58.9	-96.1	0	0	0	113.9	Y491 L492 V640 S641 A708 Y711 Y712	Y491-F644 WeakPolarHBondContact O-CZ 3.36Å; L492-F644 HydrophobicContact CD2-CE1 3.77Å; L492-F644 HydrophobicContact CD2-CZ 4.04Å; L492-F644 HydrophobicContact CG-CZ 4.47Å; V640-F644 HydrophobicContact CG1-CB 4.34Å; V640-F644 WeakPolarHBondContact O-CB 3.05Å; V640-F644 WeakPolarHBondContact O-CD1 3.35Å; V640-F644 PolarHBondContact O-N 3.23Å; S641-F644 WeakPolarHBondContact O-CD1 3.36Å; S641-F644 WeakPolarHBondContact O-CE1 3.36Å; F644-A708 HydrophobicContact CB-CB 3.64Å; F644-A708 HydrophobicContact CD1-CB 3.96Å; F644-A708 HydrophobicContact CD2-CB 3.63Å; F644-A708 HydrophobicContact CE2-CB 4.26Å; F644-A708 HydrophobicContact CG-CB 3.47Å; F644-A708 VanDerWaalsContact CG-CB 3.47Å; F644-Y711 HydrophobicContact CD2-CD1 4.02Å; F644-Y711 HydrophobicContact CD2-CD2 4.46Å; F644-Y711 AromaticContact CD2-CG 3.83Å; F644-Y711 HydrophobicContact CD2-CG 3.83Å; F644-Y711 HydrophobicContact CE2-CD2 4.21Å; F644-Y711 AromaticContact CE2-CG 3.93Å; F644-Y711 HydrophobicContact CE2-CG 3.93Å; F644-Y712 HydrophobicContact CB-CE2 4.12Å; F644-Y712 WeakPolarHBondContact O-CE2 3.45Å; F644-Y712 PolarHBondContact O-OH 3.47Å
645	T	91.3	Very high	93.9	Very high	19 Å²	19	28.3 Å²	28.3	12%	0.117	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-24	173.7	56.9	0	0	0	0	112.9	F643 V647 Y711	F643-T645 PolarHBondContact O-N 3.32Å; F643-T645 VanDerWaalsContact O-N 3.11Å; T645-V647 PolarHBondContact O-N 3.22Å; T645-Y711 HydrophobicContact CG2-CD2 4Å; T645-Y711 HydrophobicContact CG2-CE1 4.34Å; T645-Y711 HydrophobicContact CG2-CE2 3.72Å; T645-Y711 HydrophobicContact CG2-CG 4.43Å
646	Q	92.9	Very high	93.8	Very high	35 Å²	35	28.4 Å²	28.4	16%	0.164	15%	0.146	C	C	.	.	S	Bend	trans	-102	64.2	-177	-67.9	-179.3	-161.7	0	0	111.1	F643 L681 Y682 N683	F643-Q646 HydrophobicContact CD1-CB 4.47Å; F643-Q646 CarbonylContact O-C 3.5Å; F643-Q646 PolarHBondContact O-N 2.76Å; Q646-L681 WeakPolarHBondContact O-CA 3.39Å; Q646-Y682 HydrophobicContact CB-CD1 4.36Å; Q646-Y682 HydrophobicContact CB-CD2 4.09Å; Q646-Y682 HydrophobicContact CB-CE1 4.07Å; Q646-Y682 HydrophobicContact CB-CE2 3.78Å; Q646-Y682 HydrophobicContact CB-CG 4.36Å; Q646-Y682 VanDerWaalsContact CB-O 3.26Å; Q646-Y682 WeakPolarHBondContact CB-O 3.41Å; Q646-Y682 HydrophobicContact CG-CE2 3.98Å; Q646-Y682 PolarHBondContact NE2-O 2.83Å; Q646-Y682 WeakPolarHBondContact O-CD1 3.49Å; Q646-Y682 WeakPolarHBondContact O-CE1 3.38Å; Q646-Y682 PolarHBondContact O-N 3.25Å; Q646-N683 VanDerWaalsContact NE2-C 3.29Å; Q646-N683 PolarHBondContact NE2-O 2.99Å
647	V	95.3	Very high	93.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.3	-179.1	177.4	0	0	0	0	109.9	T645 V659 W679 V680 L704 Y712	T645-V647 PolarHBondContact O-N 3.22Å; V647-V659 HydrophobicContact CB-CG2 3.95Å; V647-V659 HydrophobicContact CG1-CG2 3.93Å; V647-V659 WeakPolarHBondContact O-CG2 3.34Å; V647-V659 PolarHBondContact O-N 2.68Å; V647-W679 HydrophobicContact CG1-CE3 3.68Å; V647-W679 HydrophobicContact CG1-CZ3 4.1Å; V647-V680 CarbonylContact C-O 3.58Å; V647-V680 WeakPolarHBondContact CA-O 3.34Å; V647-L704 HydrophobicContact CG1-CD1 4Å; V647-L704 HydrophobicContact CG2-CD2 3.94Å; V647-Y712 WeakPolarHBondContact CB-OH 3.33Å; V647-Y712 WeakPolarHBondContact CG2-OH 3.46Å
648	A	95.8	Very high	93.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.7	173.9	0	0	0	0	0	111.5	Y656 Q657 V665 V680 Y682 I693	A648-Y656 HydrophobicContact CB-CD1 4.14Å; A648-Q657 CarbonylContact C-O 3.36Å; A648-Q657 VanDerWaalsContact CA-O 3.26Å; A648-Q657 WeakPolarHBondContact CA-O 3.38Å; A648-V665 HydrophobicContact CB-CG2 4.26Å; A648-V680 HydrophobicContact CB-CG2 3.97Å; A648-V680 PolarHBondContact N-O 2.89Å; A648-V680 PolarHBondContact O-N 3.41Å; A648-Y682 HydrophobicContact CB-CD1 4.47Å; A648-Y682 HydrophobicContact CB-CE1 4.42Å; A648-I693 HydrophobicContact CB-CD1 3.97Å
649	H	96	Very high	93.3	Very high	11 Å²	11	27.4 Å²	27.4	5%	0.051	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.2	179.4	172.7	-103.1	0	0	0	110.2	E651 Y656 Q657 E678 W679 A722 Q725	H649-E651 IonicContact CE1-OE1 2.99Å; H649-E651 IonicContact ND1-OE1 3.49Å; H649-E651 PolarHBondContact ND1-OE1 3.21Å; H649-E651 PolarHBondContact O-N 3.19Å; H649-Y656 CarbonylContact O-C 3.6Å; H649-Y656 VanDerWaalsContact O-CA 3.24Å; H649-Y656 WeakPolarHBondContact O-CA 3.47Å; H649-Q657 PolarHBondContact N-O 2.71Å; H649-Q657 PolarHBondContact O-N 3.47Å; H649-E678 WeakPolarHBondContact CA-O 3.36Å; H649-W679 HydrophobicContact CB-CE3 4.41Å; H649-W679 HydrophobicContact CB-CH2 4.4Å; H649-W679 HydrophobicContact CB-CZ3 4.32Å; H649-W679 AromaticContact CD2-CE2 3.53Å; H649-W679 AromaticContact CD2-CZ2 3.64Å; H649-W679 AromaticContact CD2-NE1 3.63Å; H649-A722 HydrophobicContact CB-CB 3.7Å; H649-Q725 PolarHBondContact NE2-OE1 3.37Å
650	L	95.7	Very high	92.8	Very high	38 Å²	38	28.9 Å²	28.9	20%	0.199	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	115	176.2	-179.2	65.6	0	0	0	110.4	Y656 K676 E678	L650-Y656 HydrophobicContact CB-CD1 4.15Å; L650-Y656 HydrophobicContact CB-CE1 3.79Å; L650-Y656 HydrophobicContact CD1-CD2 4.1Å; L650-Y656 HydrophobicContact CD1-CE1 4.3Å; L650-Y656 HydrophobicContact CD1-CE2 3.77Å; L650-K676 HydrophobicContact CD1-CB 4.36Å; L650-K676 HydrophobicContact CD1-CD 4.17Å; L650-K676 HydrophobicContact CD2-CB 3.96Å; L650-E678 PolarHBondContact N-O 3.26Å
651	E	93	Very high	92.3	Very high	24 Å²	24	30.5 Å²	30.5	11%	0.112	16%	0.158	C	C	.	.			trans	-80.2	155.8	174.3	-65.7	-65	132	0	0	111	H649 A653 G654 H655 Q657 E721	H649-E651 IonicContact CE1-OE1 2.99Å; H649-E651 IonicContact ND1-OE1 3.49Å; H649-E651 PolarHBondContact ND1-OE1 3.21Å; H649-E651 PolarHBondContact O-N 3.19Å; E651-A653 PolarHBondContact O-N 2.99Å; E651-G654 PolarHBondContact O-N 3.15Å; E651-H655 PolarHBondContact N-O 3.37Å; E651-Q657 HydrophobicContact CG-CB 4Å; E651-E721 VanDerWaalsContact OE2-CG 3.26Å; E651-E721 WeakPolarHBondContact OE2-CG 3.41Å
652	R	89.5	Confident	92	Very high	224 Å²	224	32.8 Å²	32.8	85%	0.845	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.9	177.6	-67.6	173.5	-176.1	-162.1	-2.5	114.3	G654 E721	R652-G654 PolarHBondContact O-N 2.82Å; R652-E721 WeakPolarHBondContact CD-OE1 3.35Å; R652-E721 IonicContact NE-OE1 3.61Å; R652-E721 IonicContact NE-OE2 3.22Å
653	A	88.8	Confident	91.8	Very high	83 Å²	83	35.3 Å²	35.3	69%	0.686	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	0	176.6	0	0	0	0	0	113.8	E651 H655	E651-A653 PolarHBondContact O-N 2.99Å; A653-H655 WeakPolarHBondContact CB-ND1 3.49Å; A653-H655 PolarHBondContact O-N 2.98Å
654	G	89.9	Confident	91.8	Very high	26 Å²	26	39.4 Å²	39.4	27%	0.268	20%	0.203	S	C	.	.	S	Bend	trans	84	4	172.7	0	0	0	0	0	115.6	E651 R652 K676	E651-G654 PolarHBondContact O-N 3.15Å; R652-G654 PolarHBondContact O-N 2.82Å; G654-K676 PolarHBondContact O-NZ 3.5Å
655	H	92.2	Very high	91.8	Very high	46 Å²	46	39.1 Å²	39.1	21%	0.213	20%	0.201	C	C	.	.			trans	-97.3	162.5	167.7	63.7	-91.7	0	0	0	110.3	E651 A653 I664	E651-H655 PolarHBondContact N-O 3.37Å; A653-H655 WeakPolarHBondContact CB-ND1 3.49Å; A653-H655 PolarHBondContact O-N 2.98Å; H655-I664 HydrophobicContact CB-CG2 4.13Å
656	Y	94.9	Very high	92	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	150	174.6	-75.7	-96.9	0	0	0	110.5	A648 H649 L650 I664 V665 L667 K676 P677 V680	A648-Y656 HydrophobicContact CB-CD1 4.14Å; H649-Y656 CarbonylContact O-C 3.6Å; H649-Y656 VanDerWaalsContact O-CA 3.24Å; H649-Y656 WeakPolarHBondContact O-CA 3.47Å; L650-Y656 HydrophobicContact CB-CD1 4.15Å; L650-Y656 HydrophobicContact CB-CE1 3.79Å; L650-Y656 HydrophobicContact CD1-CD2 4.1Å; L650-Y656 HydrophobicContact CD1-CE1 4.3Å; L650-Y656 HydrophobicContact CD1-CE2 3.77Å; Y656-I664 WeakPolarHBondContact O-CA 3.27Å; Y656-V665 WeakPolarHBondContact CB-O 3.23Å; Y656-V665 PolarHBondContact N-O 2.92Å; Y656-V665 PolarHBondContact O-N 3.16Å; Y656-L667 HydrophobicContact CD2-CD2 3.85Å; Y656-L667 HydrophobicContact CD2-CG 4.13Å; Y656-L667 HydrophobicContact CE1-CD2 4.44Å; Y656-L667 HydrophobicContact CE2-CD1 3.96Å; Y656-L667 HydrophobicContact CE2-CD2 3.52Å; Y656-L667 HydrophobicContact CE2-CG 3.59Å; Y656-L667 HydrophobicContact CG-CD2 4.43Å; Y656-K676 HydrophobicContact CE2-CB 4.46Å; Y656-K676 HydrophobicContact CE2-CD 4.47Å; Y656-K676 HydrophobicContact CE2-CG 4.4Å; Y656-K676 WeakPolarHBondContact OH-CA 3.3Å; Y656-K676 WeakPolarHBondContact OH-CB 3.4Å; Y656-P677 WeakPolarHBondContact CE1-O 3.45Å; Y656-P677 WeakPolarHBondContact OH-CD 3.41Å; Y656-P677 PolarHBondContact OH-O 2.84Å; Y656-V680 HydrophobicContact CD1-CG2 3.71Å; Y656-V680 HydrophobicContact CE1-CB 4.34Å; Y656-V680 HydrophobicContact CE1-CG1 3.86Å; Y656-V680 HydrophobicContact CE1-CG2 3.56Å
657	Q	93.6	Very high	92	Very high	37 Å²	37	41.2 Å²	41.2	17%	0.173	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.3	172.9	-174.3	168.1	50.5	0	0	110	A648 H649 E651 N662 Q663	A648-Q657 CarbonylContact C-O 3.36Å; A648-Q657 VanDerWaalsContact CA-O 3.26Å; A648-Q657 WeakPolarHBondContact CA-O 3.38Å; H649-Q657 PolarHBondContact N-O 2.71Å; H649-Q657 PolarHBondContact O-N 3.47Å; E651-Q657 HydrophobicContact CG-CB 4Å; Q657-N662 HydrophobicContact CG-CB 4.28Å; Q657-N662 PolarHBondContact NE2-O 3.45Å; Q657-Q663 WeakPolarHBondContact CA-O 3.43Å
658	T	93.2	Very high	91.9	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.025	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	142.8	177.1	62.5	0	0	0	0	111.8	N662 Q663 V665 Y682 F685	T658-N662 WeakPolarHBondContact O-CA 3.16Å; T658-N662 PolarHBondContact O-N 3.03Å; T658-N662 VanDerWaalsContact O-N 3.08Å; T658-Q663 HydrophobicContact CG2-CB 4.15Å; T658-Q663 PolarHBondContact N-O 3.1Å; T658-Q663 WeakPolarHBondContact OG1-CB 3.35Å; T658-Q663 PolarHBondContact OG1-N 3.01Å; T658-V665 HydrophobicContact CG2-CG1 3.91Å; T658-V665 HydrophobicContact CG2-CG2 4.1Å; T658-Y682 HydrophobicContact CG2-CE1 4.24Å; T658-F685 HydrophobicContact CG2-CE2 4.33Å
659	V	91.1	Very high	91.6	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.024	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	137.9	178.5	168.1	0	0	0	0	111	V647 D661 W679 Y711 Y712 F717	V647-V659 HydrophobicContact CB-CG2 3.95Å; V647-V659 HydrophobicContact CG1-CG2 3.93Å; V647-V659 WeakPolarHBondContact O-CG2 3.34Å; V647-V659 PolarHBondContact O-N 2.68Å; V659-D661 PolarHBondContact O-N 3.33Å; V659-W679 HydrophobicContact CG2-CZ3 3.96Å; V659-Y711 HydrophobicContact CG1-CE1 3.9Å; V659-Y712 HydrophobicContact CG1-CE1 3.8Å; V659-Y712 HydrophobicContact CG2-CE1 4.34Å; V659-F717 HydrophobicContact CB-CZ 4.48Å; V659-F717 HydrophobicContact CG1-CE2 3.53Å; V659-F717 HydrophobicContact CG1-CZ 3.56Å; V659-F717 HydrophobicContact CG2-CZ 4.46Å
660	K	85.5	Confident	91.3	Very high	32 Å²	32	49.6 Å²	49.6	14%	0.139	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	-41.9	-175.9	-67.3	-161.3	-178.4	-174.4	0	116.5	Y711 N716 F717	K660-Y711 HydrophobicContact CD-CD2 4.5Å; K660-Y711 HydrophobicContact CD-CE1 4.14Å; K660-Y711 HydrophobicContact CD-CE2 3.82Å; K660-Y711 WeakPolarHBondContact CE-O 3.35Å; K660-Y711 HydrophobicContact CG-CE1 4.27Å; K660-Y711 PolarHBondContact NZ-O 2.93Å; K660-N716 PolarHBondContact NZ-OD1 3.4Å; K660-F717 HydrophobicContact CG-CD2 4.43Å; K660-F717 HydrophobicContact CG-CE2 4.37Å
661	D	84.8	Confident	91.1	Very high	34 Å²	34	48.9 Å²	48.9	18%	0.182	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-9.1	-175.7	-61.8	-39.4	0	0	0	113.8	R397 V659 Q663	R397-D661 IonicContact CZ-OD1 3.6Å; R397-D661 IonicContact CZ-OD2 2.73Å; R397-D661 IonicContact NE-OD1 3.64Å; R397-D661 PolarHBondContact NE-OD1 3.3Å; R397-D661 IonicContact NE-OD2 3.51Å; R397-D661 PolarHBondContact NE-OD2 3.32Å; R397-D661 VanDerWaalsContact NH2-CG 3.3Å; R397-D661 IonicContact NH2-OD1 2.78Å; R397-D661 PolarHBondContact NH2-OD1 2.97Å; R397-D661 IonicContact NH2-OD2 3.99Å; R397-D661 PolarHBondContact NH2-OD2 3.33Å; V659-D661 PolarHBondContact O-N 3.33Å; D661-Q663 HydrophobicContact CB-CG 4.27Å; D661-Q663 PolarHBondContact O-N 3.38Å; D661-Q663 VanDerWaalsContact O-N 3.07Å; D661-Q663 PolarHBondContact O-NE2 2.8Å
662	N	87.2	Confident	91.1	Very high	58 Å²	58	48.3 Å²	48.3	31%	0.31	26%	0.259	S	S	.	.			trans	54.3	28.4	172.9	-70.5	-21.7	0	0	0	114.7	Q657 T658	Q657-N662 HydrophobicContact CG-CB 4.28Å; Q657-N662 PolarHBondContact NE2-O 3.45Å; T658-N662 WeakPolarHBondContact O-CA 3.16Å; T658-N662 PolarHBondContact O-N 3.03Å; T658-N662 VanDerWaalsContact O-N 3.08Å
663	Q	90.2	Very high	91.2	Very high	52 Å²	52	38.7 Å²	38.7	24%	0.243	23%	0.225	C	C	.	.			trans	-76.8	129.2	179.4	-61.1	-58.9	-55.3	0	0	110.5	I396 Q657 T658 D661 V665 F685	I396-Q663 HydrophobicContact CB-CG 4.45Å; I396-Q663 HydrophobicContact CG2-CG 4.4Å; Q657-Q663 WeakPolarHBondContact CA-O 3.43Å; T658-Q663 HydrophobicContact CG2-CB 4.15Å; T658-Q663 PolarHBondContact N-O 3.1Å; T658-Q663 WeakPolarHBondContact OG1-CB 3.35Å; T658-Q663 PolarHBondContact OG1-N 3.01Å; D661-Q663 HydrophobicContact CB-CG 4.27Å; D661-Q663 PolarHBondContact O-N 3.38Å; D661-Q663 VanDerWaalsContact O-N 3.07Å; D661-Q663 PolarHBondContact O-NE2 2.8Å; Q663-V665 HydrophobicContact CB-CG1 4.34Å; Q663-V665 PolarHBondContact O-N 2.75Å; Q663-F685 HydrophobicContact CB-CE2 4.19Å; Q663-F685 HydrophobicContact CB-CZ 4.46Å
664	I	93.4	Very high	91.2	Very high	92 Å²	92	41.1 Å²	41.1	47%	0.472	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	121.9	172.9	-61.9	173.7	0	0	0	108.2	H655 Y656 N691	H655-I664 HydrophobicContact CB-CG2 4.13Å; Y656-I664 WeakPolarHBondContact O-CA 3.27Å; I664-N691 WeakPolarHBondContact O-CB 3.38Å; I664-N691 PolarHBondContact O-ND2 2.94Å
665	V	94.1	Very high	91.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	159.2	-178.1	-59	0	0	0	0	111.7	A648 Y656 T658 Q663 F685 N691 I693	A648-V665 HydrophobicContact CB-CG2 4.26Å; Y656-V665 WeakPolarHBondContact CB-O 3.23Å; Y656-V665 PolarHBondContact N-O 2.92Å; Y656-V665 PolarHBondContact O-N 3.16Å; T658-V665 HydrophobicContact CG2-CG1 3.91Å; T658-V665 HydrophobicContact CG2-CG2 4.1Å; Q663-V665 HydrophobicContact CB-CG1 4.34Å; Q663-V665 PolarHBondContact O-N 2.75Å; V665-F685 HydrophobicContact CG1-CD2 4.19Å; V665-F685 HydrophobicContact CG1-CE2 3.36Å; V665-F685 HydrophobicContact CG1-CZ 3.79Å; V665-N691 WeakPolarHBondContact CA-O 3.41Å; V665-N691 HydrophobicContact CG1-CB 3.98Å; V665-I693 HydrophobicContact CB-CG2 4.05Å; V665-I693 HydrophobicContact CG1-CG2 4.19Å; V665-I693 HydrophobicContact CG2-CD1 4.08Å; V665-I693 HydrophobicContact CG2-CG1 4.18Å; V665-I693 HydrophobicContact CG2-CG2 3.88Å
666	H	94.4	Very high	91.2	Very high	65 Å²	65	46.7 Å²	46.7	30%	0.301	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	154.4	172.7	-60.9	-77.4	0	0	0	110.6	H668 N691 Y692 I693	H666-H668 PolarHBondContact O-N 3.37Å; H666-N691 PolarHBondContact N-O 3.44Å; H666-Y692 HydrophobicContact CB-CD1 3.89Å; H666-Y692 HydrophobicContact CB-CE1 3.98Å; H666-Y692 CarbonylContact O-C 3.57Å; H666-Y692 VanDerWaalsContact O-CA 3.24Å; H666-Y692 WeakPolarHBondContact O-CA 3.27Å; H666-I693 PolarHBondContact O-N 3.44Å
667	L	94.3	Very high	91.1	Very high	34 Å²	34	46.9 Å²	46.9	18%	0.178	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	132.1	170.7	-53.5	-172.4	0	0	0	108.8	Y656 V680 I693 I696	Y656-L667 HydrophobicContact CD2-CD2 3.85Å; Y656-L667 HydrophobicContact CD2-CG 4.13Å; Y656-L667 HydrophobicContact CE1-CD2 4.44Å; Y656-L667 HydrophobicContact CE2-CD1 3.96Å; Y656-L667 HydrophobicContact CE2-CD2 3.52Å; Y656-L667 HydrophobicContact CE2-CG 3.59Å; Y656-L667 HydrophobicContact CG-CD2 4.43Å; L667-V680 HydrophobicContact CD2-CG2 4.32Å; L667-I693 HydrophobicContact CD2-CD1 3.86Å; L667-I693 HydrophobicContact CD2-CG1 4.09Å; L667-I696 HydrophobicContact CB-CD1 3.77Å; L667-I696 HydrophobicContact CD2-CD1 3.68Å; L667-I696 HydrophobicContact CD2-CG1 4.35Å; L667-I696 HydrophobicContact CD2-CG2 4.27Å; L667-I696 HydrophobicContact CG-CD1 4.19Å
668	H	92	Very high	91.2	Very high	42 Å²	42	50.7 Å²	50.7	19%	0.194	26%	0.263	C	S	.	.			trans	-61.1	138.3	177.7	-171.5	-93.2	0	0	0	109.8	H666 S670 S671 I693 R694	H666-H668 PolarHBondContact O-N 3.37Å; H668-S670 VanDerWaalsContact ND1-CB 3.3Å; H668-S670 WeakPolarHBondContact ND1-CB 3.32Å; H668-S670 PolarHBondContact ND1-N 2.94Å; H668-S670 PolarHBondContact ND1-OG 2.99Å; H668-S670 PolarHBondContact O-N 3.21Å; H668-S671 WeakPolarHBondContact O-CB 3.32Å; H668-S671 PolarHBondContact O-N 3.4Å; H668-I693 WeakPolarHBondContact CB-O 3.49Å; H668-I693 PolarHBondContact N-O 3.47Å; H668-R694 HydrophobicContact CB-CB 3.99Å; H668-R694 HydrophobicContact CB-CG 4.31Å
669	P	89.8	Confident	91.3	Very high	106 Å²	106	50.6 Å²	50.6	69%	0.688	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-12.2	-177.4	-25.6	34.3	0	0	0	115.3	Y692	P669-Y692 HydrophobicContact CG-CE1 4.3Å
670	S	89.4	Confident	91.6	Very high	38 Å²	38	50.4 Å²	50.4	27%	0.266	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-5	175.2	74.3	0	0	0	0	114	K560 H668	K560-S670 PolarHBondContact NZ-O 3.42Å; H668-S670 VanDerWaalsContact ND1-CB 3.3Å; H668-S670 WeakPolarHBondContact ND1-CB 3.32Å; H668-S670 PolarHBondContact ND1-N 2.94Å; H668-S670 PolarHBondContact ND1-OG 2.99Å; H668-S670 PolarHBondContact O-N 3.21Å
671	S	92.3	Very high	92.1	Very high	23 Å²	23	48.9 Å²	48.9	16%	0.161	25%	0.254	C	S	.	.			trans	-61.5	142.2	179	179.1	0	0	0	0	110.9	H668 L673	H668-S671 WeakPolarHBondContact O-CB 3.32Å; H668-S671 PolarHBondContact O-N 3.4Å; S671-L673 VanDerWaalsContact C-N 3.29Å; S671-L673 PolarHBondContact OG-N 3.21Å
672	V	92.9	Very high	92.6	Very high	12 Å²	12	48 Å²	48	7%	0.073	25%	0.248	C	C	.	.			trans	-79.7	-10.8	172.9	-60.2	0	0	0	0	114	K560 A564 D569 T572 D674	K560-V672 HydrophobicContact CD-CG1 4.5Å; K560-V672 HydrophobicContact CG-CG1 4.39Å; A564-V672 HydrophobicContact CB-CB 3.81Å; A564-V672 HydrophobicContact CB-CG1 3.96Å; A564-V672 HydrophobicContact CB-CG2 4.32Å; D569-V672 WeakPolarHBondContact OD1-CG2 3.42Å; D569-V672 PolarHBondContact OD1-N 2.91Å; T572-V672 HydrophobicContact CG2-CG1 3.95Å; T572-V672 VanDerWaalsContact OG1-CG2 3.31Å; T572-V672 WeakPolarHBondContact OG1-CG2 3.18Å; V672-D674 PolarHBondContact O-N 3.38Å
673	L	91.6	Very high	92.8	Very high	22 Å²	22	47.1 Å²	47.1	12%	0.115	24%	0.244	C	C	.	.			trans	-64.9	122	-177.8	-65.6	172.8	0	0	0	110.7	I566 S671 P677 I696	I566-L673 VanDerWaalsContact O-CD2 3.29Å; I566-L673 WeakPolarHBondContact O-CD2 3.37Å; S671-L673 VanDerWaalsContact C-N 3.29Å; S671-L673 PolarHBondContact OG-N 3.21Å; L673-P677 HydrophobicContact CD1-CG 4.14Å; L673-I696 HydrophobicContact CD1-CB 4.14Å; L673-I696 HydrophobicContact CD1-CG2 3.71Å
674	D	88.3	Confident	92.7	Very high	135 Å²	135	47.9 Å²	47.9	72%	0.722	25%	0.247	S	C	*	.	S	Bend	trans	-85.3	-16.2	177	62.4	-7.8	0	0	0	113.2	V672	V672-D674 PolarHBondContact O-N 3.38Å
675	H	90.8	Very high	92.5	Very high	70 Å²	70	44.1 Å²	44.1	32%	0.324	23%	0.227	S	C	.	.	S	Bend	trans	-122	173.1	177	65.9	-77.4	0	0	0	111	P677 E698	H675-P677 WeakPolarHBondContact O-CD 3.34Å; H675-E698 IonicContact NE2-OE2 2.75Å
676	K	91.8	Very high	92.1	Very high	118 Å²	118	45.1 Å²	45.1	51%	0.513	23%	0.234	S	C	.	.			trans	-107.8	98.7	175	-70.4	-176.5	179.3	-179.5	0	109.2	L650 G654 Y656	L650-K676 HydrophobicContact CD1-CB 4.36Å; L650-K676 HydrophobicContact CD1-CD 4.17Å; L650-K676 HydrophobicContact CD2-CB 3.96Å; G654-K676 PolarHBondContact O-NZ 3.5Å; Y656-K676 HydrophobicContact CE2-CB 4.46Å; Y656-K676 HydrophobicContact CE2-CD 4.47Å; Y656-K676 HydrophobicContact CE2-CG 4.4Å; Y656-K676 WeakPolarHBondContact OH-CA 3.3Å; Y656-K676 WeakPolarHBondContact OH-CB 3.4Å
677	P	93.2	Very high	91.6	Very high	7 Å²	7	44.8 Å²	44.8	5%	0.045	23%	0.234	C	C	.	.			trans	-65.5	149.4	176.2	-10.6	21.7	0	0	0	111.9	Y656 L673 H675 W679 V680 E698	Y656-P677 WeakPolarHBondContact CE1-O 3.45Å; Y656-P677 WeakPolarHBondContact OH-CD 3.41Å; Y656-P677 PolarHBondContact OH-O 2.84Å; L673-P677 HydrophobicContact CD1-CG 4.14Å; H675-P677 WeakPolarHBondContact O-CD 3.34Å; P677-W679 VanDerWaalsContact C-N 3.25Å; P677-W679 PolarHBondContact O-N 3.26Å; P677-V680 HydrophobicContact CB-CG1 3.95Å; P677-V680 HydrophobicContact CG-CG1 3.84Å; P677-E698 HydrophobicContact CB-CB 4.04Å; P677-E698 HydrophobicContact CB-CG 3.63Å; P677-E698 HydrophobicContact CG-CB 3.97Å; P677-E698 HydrophobicContact CG-CG 4.1Å
678	E	94.1	Very high	91	Very high	116 Å²	116	47 Å²	47	54%	0.542	25%	0.249	S	C	.	.	S	Bend	trans	-60.8	-36.8	179.4	-69.8	-174.2	179.1	0	0	112.6	H649 L650 Q725	H649-E678 WeakPolarHBondContact CA-O 3.36Å; L650-E678 PolarHBondContact N-O 3.26Å; E678-Q725 PolarHBondContact OE2-NE2 3.16Å
679	W	96.5	Very high	90.6	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.011	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.7	-179.2	-69.4	80.8	0	0	0	110.5	V647 H649 V659 P677 V699 P701 L704 A722 Q725 L726	V647-W679 HydrophobicContact CG1-CE3 3.68Å; V647-W679 HydrophobicContact CG1-CZ3 4.1Å; H649-W679 HydrophobicContact CB-CE3 4.41Å; H649-W679 HydrophobicContact CB-CH2 4.4Å; H649-W679 HydrophobicContact CB-CZ3 4.32Å; H649-W679 AromaticContact CD2-CE2 3.53Å; H649-W679 AromaticContact CD2-CZ2 3.64Å; H649-W679 AromaticContact CD2-NE1 3.63Å; V659-W679 HydrophobicContact CG2-CZ3 3.96Å; P677-W679 VanDerWaalsContact C-N 3.25Å; P677-W679 PolarHBondContact O-N 3.26Å; W679-V699 HydrophobicContact CB-CG2 4.03Å; W679-V699 WeakPolarHBondContact CB-O 3.48Å; W679-V699 PolarHBondContact O-N 3.39Å; W679-V699 VanDerWaalsContact O-N 3.08Å; W679-P701 HydrophobicContact CD2-CB 4.16Å; W679-P701 HydrophobicContact CG-CB 4.29Å; W679-P701 HydrophobicContact CG-CG 4.42Å; W679-P701 HydrophobicContact CZ2-CB 4.3Å; W679-L704 HydrophobicContact CD2-CD1 4.33Å; W679-L704 HydrophobicContact CE3-CD1 3.56Å; W679-L704 HydrophobicContact CH2-CD1 4.49Å; W679-L704 HydrophobicContact CZ3-CD1 3.65Å; W679-A722 HydrophobicContact CH2-CB 3.61Å; W679-A722 HydrophobicContact CZ2-CB 4.08Å; W679-A722 HydrophobicContact CZ3-CB 4.38Å; W679-Q725 HydrophobicContact CZ2-CB 4.45Å; W679-Q725 VanDerWaalsContact NE1-CD 3.33Å; W679-L726 HydrophobicContact CH2-CD1 3.76Å; W679-L726 HydrophobicContact CH2-CD2 4.03Å; W679-L726 HydrophobicContact CH2-CG 3.73Å; W679-L726 HydrophobicContact CZ2-CD2 4.22Å; W679-L726 HydrophobicContact CZ2-CG 4.02Å; W679-L726 HydrophobicContact CZ3-CD1 4.48Å
680	V	96.8	Very high	90.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.3	-179.1	-62.4	0	0	0	0	111.5	V647 A648 Y656 L667 P677 I693 I696 T697	V647-V680 CarbonylContact C-O 3.58Å; V647-V680 WeakPolarHBondContact CA-O 3.34Å; A648-V680 HydrophobicContact CB-CG2 3.97Å; A648-V680 PolarHBondContact N-O 2.89Å; A648-V680 PolarHBondContact O-N 3.41Å; Y656-V680 HydrophobicContact CD1-CG2 3.71Å; Y656-V680 HydrophobicContact CE1-CB 4.34Å; Y656-V680 HydrophobicContact CE1-CG1 3.86Å; Y656-V680 HydrophobicContact CE1-CG2 3.56Å; L667-V680 HydrophobicContact CD2-CG2 4.32Å; P677-V680 HydrophobicContact CB-CG1 3.95Å; P677-V680 HydrophobicContact CG-CG1 3.84Å; V680-I693 HydrophobicContact CG2-CD1 3.78Å; V680-I696 HydrophobicContact CB-CG2 3.55Å; V680-I696 HydrophobicContact CG1-CG2 3.83Å; V680-I696 HydrophobicContact CG2-CG2 4.09Å; V680-T697 WeakPolarHBondContact CA-O 3.1Å
681	L	96.3	Very high	90.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	137.5	168.9	180	157.8	0	0	0	108.2	L639 V640 F643 Q646 I696 T697 V699	L639-L681 HydrophobicContact CB-CD1 4.11Å; V640-L681 HydrophobicContact CB-CD1 4.48Å; V640-L681 HydrophobicContact CG2-CD1 3.98Å; F643-L681 HydrophobicContact CB-CD1 3.77Å; F643-L681 HydrophobicContact CB-CD2 3.77Å; F643-L681 HydrophobicContact CB-CG 3.8Å; F643-L681 HydrophobicContact CG-CD2 4.25Å; Q646-L681 WeakPolarHBondContact O-CA 3.39Å; L681-I696 CarbonylContact O-C 3.58Å; L681-I696 WeakPolarHBondContact O-CA 3.5Å; L681-T697 PolarHBondContact N-O 3.31Å; L681-T697 PolarHBondContact O-N 3.49Å; L681-V699 HydrophobicContact CB-CG1 3.67Å; L681-V699 HydrophobicContact CB-CG2 4.3Å; L681-V699 HydrophobicContact CD1-CG1 4.09Å
682	Y	95.2	Very high	90.6	Very high	15 Å²	15	54.5 Å²	54.5	6%	0.059	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.9	-179.8	64	-90.2	0	0	0	111.9	Q646 A648 T658 F685 I693 T695	Q646-Y682 HydrophobicContact CB-CD1 4.36Å; Q646-Y682 HydrophobicContact CB-CD2 4.09Å; Q646-Y682 HydrophobicContact CB-CE1 4.07Å; Q646-Y682 HydrophobicContact CB-CE2 3.78Å; Q646-Y682 HydrophobicContact CB-CG 4.36Å; Q646-Y682 VanDerWaalsContact CB-O 3.26Å; Q646-Y682 WeakPolarHBondContact CB-O 3.41Å; Q646-Y682 HydrophobicContact CG-CE2 3.98Å; Q646-Y682 PolarHBondContact NE2-O 2.83Å; Q646-Y682 WeakPolarHBondContact O-CD1 3.49Å; Q646-Y682 WeakPolarHBondContact O-CE1 3.38Å; Q646-Y682 PolarHBondContact O-N 3.25Å; A648-Y682 HydrophobicContact CB-CD1 4.47Å; A648-Y682 HydrophobicContact CB-CE1 4.42Å; T658-Y682 HydrophobicContact CG2-CE1 4.24Å; Y682-F685 HydrophobicContact CE2-CB 4.38Å; Y682-I693 HydrophobicContact CD1-CB 4.21Å; Y682-I693 HydrophobicContact CD1-CD1 4.08Å; Y682-I693 HydrophobicContact CD1-CG2 3.84Å; Y682-I693 HydrophobicContact CD2-CB 4.15Å; Y682-I693 HydrophobicContact CD2-CG2 3.79Å; Y682-I693 HydrophobicContact CE1-CG2 4.09Å; Y682-I693 HydrophobicContact CE2-CG2 4.05Å; Y682-I693 HydrophobicContact CG-CB 3.79Å; Y682-I693 HydrophobicContact CG-CD1 4.36Å; Y682-I693 HydrophobicContact CG-CG2 3.69Å; Y682-T695 WeakPolarHBondContact CA-O 3.22Å
683	N	91.6	Very high	90.7	Very high	39 Å²	39	53.9 Å²	53.9	21%	0.209	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-38.2	176.3	-176.4	79.1	0	0	0	112.7	L540 F643 Q646 R694 T695	L540-N683 HydrophobicContact CD2-CB 4.45Å; F643-N683 WeakPolarHBondContact CE1-OD1 3.29Å; F643-N683 WeakPolarHBondContact CZ-OD1 3.36Å; Q646-N683 VanDerWaalsContact NE2-C 3.29Å; Q646-N683 PolarHBondContact NE2-O 2.99Å; N683-R694 PolarHBondContact N-O 3.03Å; N683-T695 HydrophobicContact CB-CG2 4.28Å; N683-T695 PolarHBondContact N-O 3.06Å; N683-T695 VanDerWaalsContact N-O 3.12Å
684	E	88.2	Confident	90.7	Very high	68 Å²	68	55.1 Å²	55.1	32%	0.318	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	138.9	-171	-174.3	-174.7	176.1	0	0	112.1	V686 I693 R694	E684-V686 HydrophobicContact CG-CG2 4.12Å; E684-I693 WeakPolarHBondContact O-CA 3.44Å; E684-R694 HydrophobicContact CB-CB 4.39Å; E684-R694 PolarHBondContact N-O 3.12Å; E684-R694 PolarHBondContact O-N 2.77Å; E684-R694 IonicContact OE1-CZ 2.76Å; E684-R694 IonicContact OE1-NE 3.67Å; E684-R694 IonicContact OE1-NH2 3.91Å; E684-R694 PolarHBondContact OE1-NH2 3.36Å; E684-R694 IonicContact OE2-CZ 3.85Å; E684-R694 IonicContact OE2-NE 3.53Å; E684-R694 PolarHBondContact OE2-NE 2.78Å; E684-R694 IonicContact OE2-NH2 3.89Å; E684-R694 PolarHBondContact OE2-NH2 2.79Å
685	F	89	Confident	90.9	Very high	13 Å²	13	49.9 Å²	49.9	6%	0.057	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.5	170.1	-168.8	-68.6	0	0	0	109.4	V398 T658 Q663 V665 Y682 L687 N691 I693	V398-F685 HydrophobicContact CB-CD1 4.39Å; V398-F685 HydrophobicContact CB-CG 4.4Å; V398-F685 HydrophobicContact CG1-CB 3.9Å; V398-F685 HydrophobicContact CG1-CD1 3.52Å; V398-F685 HydrophobicContact CG1-CE1 4.22Å; V398-F685 HydrophobicContact CG1-CG 3.8Å; V398-F685 HydrophobicContact CG2-CB 4.08Å; V398-F685 HydrophobicContact CG2-CD1 3.93Å; V398-F685 HydrophobicContact CG2-CD2 3.71Å; V398-F685 HydrophobicContact CG2-CE1 4.28Å; V398-F685 HydrophobicContact CG2-CE2 4.03Å; V398-F685 HydrophobicContact CG2-CG 3.64Å; V398-F685 HydrophobicContact CG2-CZ 4.31Å; T658-F685 HydrophobicContact CG2-CE2 4.33Å; Q663-F685 HydrophobicContact CB-CE2 4.19Å; Q663-F685 HydrophobicContact CB-CZ 4.46Å; V665-F685 HydrophobicContact CG1-CD2 4.19Å; V665-F685 HydrophobicContact CG1-CE2 3.36Å; V665-F685 HydrophobicContact CG1-CZ 3.79Å; Y682-F685 HydrophobicContact CE2-CB 4.38Å; F685-L687 HydrophobicContact CD1-CD2 4.44Å; F685-L687 HydrophobicContact CD1-CG 4.01Å; F685-L687 HydrophobicContact CE1-CD2 3.62Å; F685-L687 HydrophobicContact CE1-CG 3.68Å; F685-L687 HydrophobicContact CZ-CD2 4.47Å; F685-N691 HydrophobicContact CE1-CB 3.98Å; F685-N691 HydrophobicContact CZ-CB 3.71Å; F685-I693 HydrophobicContact CD2-CG2 4.33Å
686	V	85.9	Confident	91.2	Very high	22 Å²	22	46.6 Å²	46.6	13%	0.133	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	109.9	-174.7	-178.2	0	0	0	0	109.4	E684 T688 Y692 R694	E684-V686 HydrophobicContact CG-CG2 4.12Å; V686-T688 HydrophobicContact CG1-CG2 4.01Å; V686-Y692 PolarHBondContact N-O 3.35Å; V686-Y692 PolarHBondContact O-N 3.26Å; V686-R694 HydrophobicContact CG2-CB 3.96Å
687	L	83.4	Confident	91.5	Very high	57 Å²	57	41 Å²	41	30%	0.298	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	114.4	175.6	-78.7	166.7	0	0	0	110.3	V398 L402 F685 N691	V398-L687 HydrophobicContact CG1-CD1 4.08Å; L402-L687 HydrophobicContact CD2-CB 4.4Å; F685-L687 HydrophobicContact CD1-CD2 4.44Å; F685-L687 HydrophobicContact CD1-CG 4.01Å; F685-L687 HydrophobicContact CE1-CD2 3.62Å; F685-L687 HydrophobicContact CE1-CG 3.68Å; F685-L687 HydrophobicContact CZ-CD2 4.47Å; L687-N691 VanDerWaalsContact CD2-OD1 3.28Å; L687-N691 WeakPolarHBondContact CD2-OD1 3.35Å
688	T	81.9	Confident	91.6	Very high	81 Å²	81	42.8 Å²	42.8	50%	0.497	22%	0.217	S	C	.	.	S	Bend	trans	-136	-152.9	170.9	66.1	0	0	0	0	109.2	V686 K690 Y692	V686-T688 HydrophobicContact CG1-CG2 4.01Å; T688-K690 CarbonylContact C-O 3.56Å; T688-K690 PolarHBondContact N-O 2.83Å; T688-K690 PolarHBondContact O-N 3.42Å; T688-K690 PolarHBondContact OG1-N 3.31Å; T688-K690 PolarHBondContact OG1-O 3.01Å; T688-Y692 WeakPolarHBondContact OG1-CE2 3.3Å
689	T	84.4	Confident	91.6	Very high	154 Å²	154	37.5 Å²	37.5	95%	0.945	19%	0.193	S	C	*	.	S	Bend	trans	-55.6	-30.1	167.7	-37.8	0	0	0	0	112.3
690	K	87.9	Confident	91.5	Very high	116 Å²	116	42.1 Å²	42.1	50%	0.504	21%	0.213	S	C	.	.	S	Bend	trans	-123.3	154.8	167.2	-65	-176.6	-178.3	-178	0	109.5	T688 Y692	T688-K690 CarbonylContact C-O 3.56Å; T688-K690 PolarHBondContact N-O 2.83Å; T688-K690 PolarHBondContact O-N 3.42Å; T688-K690 PolarHBondContact OG1-N 3.31Å; T688-K690 PolarHBondContact OG1-O 3.01Å; K690-Y692 HydrophobicContact CB-CD2 4.38Å; K690-Y692 HydrophobicContact CB-CE2 3.71Å; K690-Y692 VanDerWaalsContact O-CD2 3.29Å; K690-Y692 WeakPolarHBondContact O-CD2 3.33Å
691	N	91.3	Very high	91.4	Very high	44 Å²	44	43 Å²	43	24%	0.235	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	124.9	173.9	-58.7	-20.6	0	0	0	109	I664 V665 H666 F685 L687	I664-N691 WeakPolarHBondContact O-CB 3.38Å; I664-N691 PolarHBondContact O-ND2 2.94Å; V665-N691 WeakPolarHBondContact CA-O 3.41Å; V665-N691 HydrophobicContact CG1-CB 3.98Å; H666-N691 PolarHBondContact N-O 3.44Å; F685-N691 HydrophobicContact CE1-CB 3.98Å; F685-N691 HydrophobicContact CZ-CB 3.71Å; L687-N691 VanDerWaalsContact CD2-OD1 3.28Å; L687-N691 WeakPolarHBondContact CD2-OD1 3.35Å
692	Y	92.4	Very high	91.3	Very high	52 Å²	52	46.2 Å²	46.2	20%	0.204	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149.4	177	-65.1	-82.2	0	0	0	111	H666 P669 V686 T688 K690	H666-Y692 HydrophobicContact CB-CD1 3.89Å; H666-Y692 HydrophobicContact CB-CE1 3.98Å; H666-Y692 CarbonylContact O-C 3.57Å; H666-Y692 VanDerWaalsContact O-CA 3.24Å; H666-Y692 WeakPolarHBondContact O-CA 3.27Å; P669-Y692 HydrophobicContact CG-CE1 4.3Å; V686-Y692 PolarHBondContact N-O 3.35Å; V686-Y692 PolarHBondContact O-N 3.26Å; T688-Y692 WeakPolarHBondContact OG1-CE2 3.3Å; K690-Y692 HydrophobicContact CB-CD2 4.38Å; K690-Y692 HydrophobicContact CB-CE2 3.71Å; K690-Y692 VanDerWaalsContact O-CD2 3.29Å; K690-Y692 WeakPolarHBondContact O-CD2 3.33Å
693	I	93.8	Very high	91.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.2	165.4	51.8	170.9	0	0	0	109.2	A648 V665 H666 L667 H668 V680 Y682 E684 F685 I696	A648-I693 HydrophobicContact CB-CD1 3.97Å; V665-I693 HydrophobicContact CB-CG2 4.05Å; V665-I693 HydrophobicContact CG1-CG2 4.19Å; V665-I693 HydrophobicContact CG2-CD1 4.08Å; V665-I693 HydrophobicContact CG2-CG1 4.18Å; V665-I693 HydrophobicContact CG2-CG2 3.88Å; H666-I693 PolarHBondContact O-N 3.44Å; L667-I693 HydrophobicContact CD2-CD1 3.86Å; L667-I693 HydrophobicContact CD2-CG1 4.09Å; H668-I693 WeakPolarHBondContact CB-O 3.49Å; H668-I693 PolarHBondContact N-O 3.47Å; V680-I693 HydrophobicContact CG2-CD1 3.78Å; Y682-I693 HydrophobicContact CD1-CB 4.21Å; Y682-I693 HydrophobicContact CD1-CD1 4.08Å; Y682-I693 HydrophobicContact CD1-CG2 3.84Å; Y682-I693 HydrophobicContact CD2-CB 4.15Å; Y682-I693 HydrophobicContact CD2-CG2 3.79Å; Y682-I693 HydrophobicContact CE1-CG2 4.09Å; Y682-I693 HydrophobicContact CE2-CG2 4.05Å; Y682-I693 HydrophobicContact CG-CB 3.79Å; Y682-I693 HydrophobicContact CG-CD1 4.36Å; Y682-I693 HydrophobicContact CG-CG2 3.69Å; E684-I693 WeakPolarHBondContact O-CA 3.44Å; F685-I693 HydrophobicContact CD2-CG2 4.33Å; I693-I696 HydrophobicContact CD1-CG1 4.47Å; I693-I696 HydrophobicContact CG1-CD1 4.34Å; I693-I696 HydrophobicContact CG1-CG1 4.3Å; I693-I696 VanDerWaalsContact O-CD1 3.24Å; I693-I696 WeakPolarHBondContact O-CD1 3.46Å
694	R	91.8	Very high	91.3	Very high	48 Å²	48	44.4 Å²	44.4	18%	0.181	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.4	-172.5	-176.4	164.1	69.9	-172.8	7.1	111.4	H668 N683 E684 V686	H668-R694 HydrophobicContact CB-CB 3.99Å; H668-R694 HydrophobicContact CB-CG 4.31Å; N683-R694 PolarHBondContact N-O 3.03Å; E684-R694 HydrophobicContact CB-CB 4.39Å; E684-R694 PolarHBondContact N-O 3.12Å; E684-R694 PolarHBondContact O-N 2.77Å; E684-R694 IonicContact OE1-CZ 2.76Å; E684-R694 IonicContact OE1-NE 3.67Å; E684-R694 IonicContact OE1-NH2 3.91Å; E684-R694 PolarHBondContact OE1-NH2 3.36Å; E684-R694 IonicContact OE2-CZ 3.85Å; E684-R694 IonicContact OE2-NE 3.53Å; E684-R694 PolarHBondContact OE2-NE 2.78Å; E684-R694 IonicContact OE2-NH2 3.89Å; E684-R694 PolarHBondContact OE2-NH2 2.79Å; V686-R694 HydrophobicContact CG2-CB 3.96Å
695	T	93.8	Very high	91.5	Very high	25 Å²	25	42.5 Å²	42.5	15%	0.153	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.9	82.8	-172.8	-48.6	0	0	0	0	110.6	L540 D569 H570 L573 Y682 N683	L540-T695 HydrophobicContact CD2-CG2 4.05Å; D569-T695 HydrophobicContact CB-CG2 3.84Å; D569-T695 VanDerWaalsContact OD2-CA 3.28Å; D569-T695 WeakPolarHBondContact OD2-CA 3.4Å; H570-T695 PolarHBondContact CE1-O 3.17Å; L573-T695 HydrophobicContact CD1-CG2 4.14Å; Y682-T695 WeakPolarHBondContact CA-O 3.22Å; N683-T695 HydrophobicContact CB-CG2 4.28Å; N683-T695 PolarHBondContact N-O 3.06Å; N683-T695 VanDerWaalsContact N-O 3.12Å
696	I	96.3	Very high	91.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.9	-166.1	-58.9	145.2	0	0	0	110.5	G568 D569 L667 L673 V680 L681 I693	G568-I696 CarbonylContact C-O 3.44Å; G568-I696 WeakPolarHBondContact CA-O 3.4Å; D569-I696 PolarHBondContact N-O 2.69Å; D569-I696 PolarHBondContact OD2-N 2.71Å; L667-I696 HydrophobicContact CB-CD1 3.77Å; L667-I696 HydrophobicContact CD2-CD1 3.68Å; L667-I696 HydrophobicContact CD2-CG1 4.35Å; L667-I696 HydrophobicContact CD2-CG2 4.27Å; L667-I696 HydrophobicContact CG-CD1 4.19Å; L673-I696 HydrophobicContact CD1-CB 4.14Å; L673-I696 HydrophobicContact CD1-CG2 3.71Å; V680-I696 HydrophobicContact CB-CG2 3.55Å; V680-I696 HydrophobicContact CG1-CG2 3.83Å; V680-I696 HydrophobicContact CG2-CG2 4.09Å; L681-I696 CarbonylContact O-C 3.58Å; L681-I696 WeakPolarHBondContact O-CA 3.5Å; I693-I696 HydrophobicContact CD1-CG1 4.47Å; I693-I696 HydrophobicContact CG1-CD1 4.34Å; I693-I696 HydrophobicContact CG1-CG1 4.3Å; I693-I696 VanDerWaalsContact O-CD1 3.24Å; I693-I696 WeakPolarHBondContact O-CD1 3.46Å
697	T	96.9	Very high	91.9	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.6	172.7	-72.2	0	0	0	0	111	D567 H570 R636 L639 V680 L681	D567-T697 WeakPolarHBondContact O-CA 3.38Å; H570-T697 WeakPolarHBondContact CB-OG1 3.47Å; H570-T697 PolarHBondContact N-OG1 2.94Å; H570-T697 PolarHBondContact ND1-OG1 2.91Å; R636-T697 HydrophobicContact CG-CG2 3.93Å; L639-T697 HydrophobicContact CD1-CG2 4.31Å; V680-T697 WeakPolarHBondContact CA-O 3.1Å; L681-T697 PolarHBondContact N-O 3.31Å; L681-T697 PolarHBondContact O-N 3.49Å
698	E	96.2	Very high	92.3	Very high	45 Å²	45	47.8 Å²	47.8	21%	0.21	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	135.4	175.4	-179.3	-167.4	126.6	0	0	110.5	D567 R636 H675 P677	D567-E698 PolarHBondContact O-N 3.23Å; R636-E698 IonicContact CZ-OE1 2.8Å; R636-E698 PolarHBondContact NE-O 3.17Å; R636-E698 IonicContact NH1-OE1 2.77Å; R636-E698 VanDerWaalsContact NH2-C 3.34Å; R636-E698 VanDerWaalsContact NH2-CG 3.3Å; R636-E698 PolarHBondContact NH2-O 3.22Å; R636-E698 IonicContact NH2-OE1 3.67Å; R636-E698 PolarHBondContact NH2-OE1 3.26Å; H675-E698 IonicContact NE2-OE2 2.75Å; P677-E698 HydrophobicContact CB-CB 4.04Å; P677-E698 HydrophobicContact CB-CG 3.63Å; P677-E698 HydrophobicContact CG-CB 3.97Å; P677-E698 HydrophobicContact CG-CG 4.1Å
699	V	95.1	Very high	92.7	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.024	24%	0.241	C	C	.	.			trans	-131.3	152.2	175.7	-66.2	0	0	0	0	111.2	V640 W679 L681 W703	V640-V699 HydrophobicContact CG2-CB 4.21Å; V640-V699 HydrophobicContact CG2-CG1 3.73Å; W679-V699 HydrophobicContact CB-CG2 4.03Å; W679-V699 WeakPolarHBondContact CB-O 3.48Å; W679-V699 PolarHBondContact O-N 3.39Å; W679-V699 VanDerWaalsContact O-N 3.08Å; L681-V699 HydrophobicContact CB-CG1 3.67Å; L681-V699 HydrophobicContact CB-CG2 4.3Å; L681-V699 HydrophobicContact CD1-CG1 4.09Å; V699-W703 HydrophobicContact CB-CE3 4.25Å; V699-W703 HydrophobicContact CB-CZ3 4.32Å; V699-W703 HydrophobicContact CG1-CZ3 4.5Å
700	K	94.2	Very high	93	Very high	100 Å²	100	45 Å²	45	44%	0.435	22%	0.216	S	C	.	.			trans	-90.7	135.9	172.8	-60.9	-172.9	-175.6	-177.8	0	110.4	E702 W703	K700-E702 PolarHBondContact O-N 3.16Å; K700-W703 HydrophobicContact CB-CD2 3.89Å; K700-W703 HydrophobicContact CB-CE3 4.32Å; K700-W703 HydrophobicContact CB-CG 4.29Å; K700-W703 HydrophobicContact CB-CH2 4.26Å; K700-W703 HydrophobicContact CB-CZ2 3.79Å; K700-W703 HydrophobicContact CB-CZ3 4.5Å; K700-W703 HydrophobicContact CD-CH2 4.27Å; K700-W703 HydrophobicContact CD-CZ2 3.52Å; K700-W703 HydrophobicContact CG-CD2 4.5Å; K700-W703 HydrophobicContact CG-CH2 3.84Å; K700-W703 HydrophobicContact CG-CZ2 3.49Å; K700-W703 VanDerWaalsContact CG-CZ2 3.49Å; K700-W703 HydrophobicContact CG-CZ3 4.46Å; K700-W703 WeakPolarHBondContact O-CB 3.45Å; K700-W703 PolarHBondContact O-N 2.91Å
701	P	93.5	Very high	93.2	Very high	18 Å²	18	39.5 Å²	39.5	12%	0.117	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-28.5	-179.6	20.3	-32.6	0	0	0	113.9	W679 W703 L704 L705 L726 I729	W679-P701 HydrophobicContact CD2-CB 4.16Å; W679-P701 HydrophobicContact CG-CB 4.29Å; W679-P701 HydrophobicContact CG-CG 4.42Å; W679-P701 HydrophobicContact CZ2-CB 4.3Å; P701-W703 PolarHBondContact O-N 3.47Å; P701-L704 WeakPolarHBondContact O-CB 3.33Å; P701-L704 PolarHBondContact O-N 3.02Å; P701-L705 PolarHBondContact O-N 3.14Å; P701-L726 HydrophobicContact CB-CD2 3.91Å; P701-I729 HydrophobicContact CB-CD1 3.54Å; P701-I729 HydrophobicContact CG-CD1 3.32Å
702	E	93.9	Very high	93.2	Very high	69 Å²	69	37.7 Å²	37.7	32%	0.322	18%	0.182	S	C	.	.	H	α-helix	trans	-58.5	-30.6	174.3	-66.4	179.4	-150.6	0	0	113.5	K700 K706 I729	K700-E702 PolarHBondContact O-N 3.16Å; E702-K706 WeakPolarHBondContact O-CG 3.26Å; E702-K706 PolarHBondContact O-N 2.89Å; E702-I729 HydrophobicContact CG-CG2 3.65Å
703	W	94.2	Very high	93.1	Very high	16 Å²	16	38.2 Å²	38.2	6%	0.061	19%	0.189	C	C	.	.	H	α-helix	trans	-74.2	-33.1	-179.4	-53.2	-17	0	0	0	111.2	L633 R636 K637 V640 V699 K700 P701 K706 L707	L633-W703 HydrophobicContact CD1-CH2 3.59Å; L633-W703 HydrophobicContact CD1-CZ2 3.14Å; L633-W703 HydrophobicContact CG-CZ2 4.43Å; R636-W703 HydrophobicContact CB-CH2 4.15Å; R636-W703 HydrophobicContact CB-CZ3 3.69Å; K637-W703 HydrophobicContact CG-CD2 3.81Å; K637-W703 HydrophobicContact CG-CE3 4.1Å; K637-W703 HydrophobicContact CG-CG 4.12Å; V640-W703 HydrophobicContact CG2-CE3 4.25Å; V699-W703 HydrophobicContact CB-CE3 4.25Å; V699-W703 HydrophobicContact CB-CZ3 4.32Å; V699-W703 HydrophobicContact CG1-CZ3 4.5Å; K700-W703 HydrophobicContact CB-CD2 3.89Å; K700-W703 HydrophobicContact CB-CE3 4.32Å; K700-W703 HydrophobicContact CB-CG 4.29Å; K700-W703 HydrophobicContact CB-CH2 4.26Å; K700-W703 HydrophobicContact CB-CZ2 3.79Å; K700-W703 HydrophobicContact CB-CZ3 4.5Å; K700-W703 HydrophobicContact CD-CH2 4.27Å; K700-W703 HydrophobicContact CD-CZ2 3.52Å; K700-W703 HydrophobicContact CG-CD2 4.5Å; K700-W703 HydrophobicContact CG-CH2 3.84Å; K700-W703 HydrophobicContact CG-CZ2 3.49Å; K700-W703 VanDerWaalsContact CG-CZ2 3.49Å; K700-W703 HydrophobicContact CG-CZ3 4.46Å; K700-W703 WeakPolarHBondContact O-CB 3.45Å; K700-W703 PolarHBondContact O-N 2.91Å; P701-W703 PolarHBondContact O-N 3.47Å; W703-K706 PolarHBondContact O-N 3.06Å; W703-L707 HydrophobicContact CB-CD1 4.33Å; W703-L707 VanDerWaalsContact O-CB 3.26Å; W703-L707 WeakPolarHBondContact O-CB 3.48Å; W703-L707 WeakPolarHBondContact O-CG 3.28Å; W703-L707 PolarHBondContact O-N 2.88Å
704	L	93.9	Very high	92.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.5	-47.6	177	-55.4	178.1	0	0	0	110.6	V640 V647 W679 P701 K706 A708 Y712	V640-L704 HydrophobicContact CG1-CD2 3.79Å; V647-L704 HydrophobicContact CG1-CD1 4Å; V647-L704 HydrophobicContact CG2-CD2 3.94Å; W679-L704 HydrophobicContact CD2-CD1 4.33Å; W679-L704 HydrophobicContact CE3-CD1 3.56Å; W679-L704 HydrophobicContact CH2-CD1 4.49Å; W679-L704 HydrophobicContact CZ3-CD1 3.65Å; P701-L704 WeakPolarHBondContact O-CB 3.33Å; P701-L704 PolarHBondContact O-N 3.02Å; L704-K706 PolarHBondContact O-N 3.24Å; L704-A708 CarbonylContact O-C 3.5Å; L704-A708 PolarHBondContact O-N 2.93Å; L704-Y712 HydrophobicContact CB-CD1 4.23Å; L704-Y712 HydrophobicContact CB-CD2 3.91Å; L704-Y712 HydrophobicContact CB-CE1 4.04Å; L704-Y712 HydrophobicContact CB-CE2 3.74Å; L704-Y712 HydrophobicContact CB-CG 4.17Å; L704-Y712 HydrophobicContact CD1-CE1 3.89Å; L704-Y712 HydrophobicContact CD2-CE2 4.11Å; L704-Y712 HydrophobicContact CG-CE1 4.45Å; L704-Y712 HydrophobicContact CG-CE2 4.34Å
705	L	92.6	Very high	92.7	Very high	28 Å²	28	42.3 Å²	42.3	15%	0.147	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-36	178.1	-63.3	175.5	0	0	0	113	P701 M714 L726 I729 A730 L733	P701-L705 PolarHBondContact O-N 3.14Å; L705-M714 HydrophobicContact CD2-CE 4.11Å; L705-L726 HydrophobicContact CD1-CD2 4.32Å; L705-L726 HydrophobicContact CD2-CB 4.44Å; L705-L726 HydrophobicContact CD2-CD2 4.17Å; L705-L726 HydrophobicContact CG-CD2 4.05Å; L705-I729 HydrophobicContact CD1-CB 4.32Å; L705-I729 HydrophobicContact CD1-CG2 3.95Å; L705-A730 HydrophobicContact CD1-CB 4.06Å; L705-L733 HydrophobicContact CD1-CD1 4.4Å
706	K	91.5	Very high	92.4	Very high	130 Å²	130	44.8 Å²	44.8	57%	0.565	23%	0.234	S	C	*	.	H	α-helix	trans	-79	-38.8	-178.1	-74.4	176	-179.7	173.2	0	113.2	E702 W703 L704	E702-K706 WeakPolarHBondContact O-CG 3.26Å; E702-K706 PolarHBondContact O-N 2.89Å; W703-K706 PolarHBondContact O-N 3.06Å; L704-K706 PolarHBondContact O-N 3.24Å
707	L	90.8	Very high	92	Very high	65 Å²	65	45 Å²	45	34%	0.34	24%	0.235	S	C	.	.	H	α-helix	trans	-95	-27.5	-171.4	-62.4	178.5	0	0	0	113.5	F527 K637 V640 W703 P709	F527-L707 HydrophobicContact CE1-CD2 4.25Å; F527-L707 HydrophobicContact CZ-CD1 4.08Å; F527-L707 HydrophobicContact CZ-CD2 3.66Å; K637-L707 HydrophobicContact CB-CD1 4.29Å; K637-L707 WeakPolarHBondContact O-CD1 3.26Å; V640-L707 HydrophobicContact CB-CD1 3.94Å; V640-L707 HydrophobicContact CG1-CB 4.27Å; V640-L707 HydrophobicContact CG1-CD1 3.95Å; W703-L707 HydrophobicContact CB-CD1 4.33Å; W703-L707 VanDerWaalsContact O-CB 3.26Å; W703-L707 WeakPolarHBondContact O-CB 3.48Å; W703-L707 WeakPolarHBondContact O-CG 3.28Å; W703-L707 PolarHBondContact O-N 2.88Å; L707-P709 VanDerWaalsContact C-CD 3.48Å
708	A	91.8	Very high	91.7	Very high	8 Å²	8	46.8 Å²	46.8	7%	0.066	25%	0.246	C	C	.	.			trans	-133.8	57.2	-179.3	0	0	0	0	0	112.1	F644 L704 Q710 Y711 Y712	F644-A708 HydrophobicContact CB-CB 3.64Å; F644-A708 HydrophobicContact CD1-CB 3.96Å; F644-A708 HydrophobicContact CD2-CB 3.63Å; F644-A708 HydrophobicContact CE2-CB 4.26Å; F644-A708 HydrophobicContact CG-CB 3.47Å; F644-A708 VanDerWaalsContact CG-CB 3.47Å; L704-A708 CarbonylContact O-C 3.5Å; L704-A708 PolarHBondContact O-N 2.93Å; A708-Q710 VanDerWaalsContact C-N 3.28Å; A708-Q710 PolarHBondContact O-N 3.43Å; A708-Y711 PolarHBondContact O-N 3.45Å; A708-Y712 HydrophobicContact CB-CD2 4.05Å; A708-Y712 HydrophobicContact CB-CE2 4.38Å; A708-Y712 WeakPolarHBondContact O-CD2 3.38Å; A708-Y712 PolarHBondContact O-N 2.91Å
709	P	91.1	Very high	91.3	Very high	83 Å²	83	50.2 Å²	50.2	54%	0.539	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-34.3	-176.3	25.2	-34.7	0	0	0	113.2	L707 Y711 Y712 D713	L707-P709 VanDerWaalsContact C-CD 3.48Å; P709-Y711 VanDerWaalsContact C-N 3.34Å; P709-Y711 PolarHBondContact O-N 2.85Å; P709-Y712 CarbonylContact O-C 3.6Å; P709-Y712 PolarHBondContact O-N 3.27Å; P709-D713 PolarHBondContact O-N 2.59Å
710	Q	90.3	Very high	91	Very high	92 Å²	92	50.8 Å²	50.8	43%	0.43	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-37.4	179.2	-165.9	-170.1	3.3	0	0	112.2	N490 Y491 A708	N490-Q710 PolarHBondContact OD1-NE2 3.44Å; Y491-Q710 HydrophobicContact CD1-CB 4.45Å; Y491-Q710 HydrophobicContact CD1-CG 4.05Å; Y491-Q710 HydrophobicContact CE1-CG 4.06Å; A708-Q710 VanDerWaalsContact C-N 3.28Å; A708-Q710 PolarHBondContact O-N 3.43Å
711	Y	91.2	Very high	90.8	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.008	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-41.7	177.6	-171.6	-100.4	0	0	0	111.7	Y491 F644 T645 V659 K660 A708 P709 D713	Y491-Y711 HydrophobicContact CD1-CD2 4.3Å; Y491-Y711 AromaticContact CD2-CD2 3.7Å; Y491-Y711 HydrophobicContact CD2-CD2 3.7Å; Y491-Y711 HydrophobicContact CD2-CE2 4.19Å; Y491-Y711 HydrophobicContact CE1-CD2 4.3Å; Y491-Y711 AromaticContact CE2-CD2 3.64Å; Y491-Y711 HydrophobicContact CE2-CD2 3.64Å; Y491-Y711 HydrophobicContact CE2-CE2 4Å; Y491-Y711 HydrophobicContact CG-CD2 4.04Å; Y491-Y711 AromaticContact CZ-CD2 3.98Å; F644-Y711 HydrophobicContact CD2-CD1 4.02Å; F644-Y711 HydrophobicContact CD2-CD2 4.46Å; F644-Y711 AromaticContact CD2-CG 3.83Å; F644-Y711 HydrophobicContact CD2-CG 3.83Å; F644-Y711 HydrophobicContact CE2-CD2 4.21Å; F644-Y711 AromaticContact CE2-CG 3.93Å; F644-Y711 HydrophobicContact CE2-CG 3.93Å; T645-Y711 HydrophobicContact CG2-CD2 4Å; T645-Y711 HydrophobicContact CG2-CE1 4.34Å; T645-Y711 HydrophobicContact CG2-CE2 3.72Å; T645-Y711 HydrophobicContact CG2-CG 4.43Å; V659-Y711 HydrophobicContact CG1-CE1 3.9Å; K660-Y711 HydrophobicContact CD-CD2 4.5Å; K660-Y711 HydrophobicContact CD-CE1 4.14Å; K660-Y711 HydrophobicContact CD-CE2 3.82Å; K660-Y711 WeakPolarHBondContact CE-O 3.35Å; K660-Y711 HydrophobicContact CG-CE1 4.27Å; K660-Y711 PolarHBondContact NZ-O 2.93Å; A708-Y711 PolarHBondContact O-N 3.45Å; P709-Y711 VanDerWaalsContact C-N 3.34Å; P709-Y711 PolarHBondContact O-N 2.85Å; Y711-D713 PolarHBondContact O-N 3.32Å
712	Y	92.4	Very high	90.7	Very high	5 Å²	5	47.9 Å²	47.9	2%	0.02	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	40.4	177.2	-69.4	-87.3	0	0	0	112.4	F644 V647 V659 L704 A708 P709 M714 F717 L726	F644-Y712 HydrophobicContact CB-CE2 4.12Å; F644-Y712 WeakPolarHBondContact O-CE2 3.45Å; F644-Y712 PolarHBondContact O-OH 3.47Å; V647-Y712 WeakPolarHBondContact CB-OH 3.33Å; V647-Y712 WeakPolarHBondContact CG2-OH 3.46Å; V659-Y712 HydrophobicContact CG1-CE1 3.8Å; V659-Y712 HydrophobicContact CG2-CE1 4.34Å; L704-Y712 HydrophobicContact CB-CD1 4.23Å; L704-Y712 HydrophobicContact CB-CD2 3.91Å; L704-Y712 HydrophobicContact CB-CE1 4.04Å; L704-Y712 HydrophobicContact CB-CE2 3.74Å; L704-Y712 HydrophobicContact CB-CG 4.17Å; L704-Y712 HydrophobicContact CD1-CE1 3.89Å; L704-Y712 HydrophobicContact CD2-CE2 4.11Å; L704-Y712 HydrophobicContact CG-CE1 4.45Å; L704-Y712 HydrophobicContact CG-CE2 4.34Å; A708-Y712 HydrophobicContact CB-CD2 4.05Å; A708-Y712 HydrophobicContact CB-CE2 4.38Å; A708-Y712 WeakPolarHBondContact O-CD2 3.38Å; A708-Y712 PolarHBondContact O-N 2.91Å; P709-Y712 CarbonylContact O-C 3.6Å; P709-Y712 PolarHBondContact O-N 3.27Å; Y712-M714 WeakPolarHBondContact O-CE 3.47Å; Y712-M714 PolarHBondContact O-N 3.37Å; Y712-F717 HydrophobicContact CD1-CD2 4.38Å; Y712-F717 AromaticContact CD1-CE2 3.65Å; Y712-F717 HydrophobicContact CD1-CE2 3.65Å; Y712-F717 HydrophobicContact CD1-CZ 4.44Å; Y712-F717 AromaticContact CE1-CE2 3.95Å; Y712-F717 HydrophobicContact CE1-CE2 3.95Å; Y712-F717 HydrophobicContact CE1-CZ 4.46Å; Y712-L726 HydrophobicContact CD1-CD1 3.68Å; Y712-L726 HydrophobicContact CE1-CD1 4.11Å
713	D	90.1	Very high	90.6	Very high	63 Å²	63	45.9 Å²	45.9	34%	0.337	25%	0.251	S	S	.	.			trans	-74.6	116.6	170.8	175.8	13.3	0	0	0	109.9	P709 Y711 S715 N716 F717	P709-D713 PolarHBondContact O-N 2.59Å; Y711-D713 PolarHBondContact O-N 3.32Å; D713-S715 VanDerWaalsContact CG-OG 3.22Å; D713-S715 PolarHBondContact O-N 3.03Å; D713-S715 VanDerWaalsContact O-N 3.16Å; D713-S715 WeakPolarHBondContact OD1-CB 3.44Å; D713-S715 PolarHBondContact OD1-N 2.71Å; D713-S715 PolarHBondContact OD1-OG 2.97Å; D713-S715 PolarHBondContact OD2-OG 3.17Å; D713-N716 PolarHBondContact O-N 3Å; D713-N716 PolarHBondContact O-OD1 3.02Å; D713-N716 VanDerWaalsContact O-OD1 3.12Å; D713-F717 WeakPolarHBondContact O-CB 3.45Å; D713-F717 PolarHBondContact O-N 3.49Å; D713-F717 VanDerWaalsContact O-N 3.12Å
714	M	88	Confident	90.4	Very high	35 Å²	35	52.3 Å²	52.3	17%	0.172	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.8	-177.8	-62.1	-62.3	103.2	0	0	112.9	L705 Y712 F717 K723 L726 E727	L705-M714 HydrophobicContact CD2-CE 4.11Å; Y712-M714 WeakPolarHBondContact O-CE 3.47Å; Y712-M714 PolarHBondContact O-N 3.37Å; M714-F717 HydrophobicContact CE-CB 4.38Å; M714-F717 HydrophobicContact CE-CD2 4.16Å; M714-F717 HydrophobicContact CE-CG 4.29Å; M714-K723 VanDerWaalsContact O-CE 3.27Å; M714-K723 WeakPolarHBondContact O-CE 3.36Å; M714-K723 PolarHBondContact O-NZ 3.46Å; M714-K723 HydrophobicContact SD-CG 4.27Å; M714-L726 HydrophobicContact CE-CB 3.93Å; M714-L726 HydrophobicContact CE-CD1 3.9Å; M714-L726 HydrophobicContact SD-CB 3.85Å; M714-E727 HydrophobicContact CG-CG 4.13Å; M714-E727 HydrophobicContact SD-CG 3.84Å
715	S	88.9	Confident	90.2	Very high	99 Å²	99	54.1 Å²	54.1	69%	0.692	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-39.1	177.2	86.1	0	0	0	0	112.1	D713	D713-S715 VanDerWaalsContact CG-OG 3.22Å; D713-S715 PolarHBondContact O-N 3.03Å; D713-S715 VanDerWaalsContact O-N 3.16Å; D713-S715 WeakPolarHBondContact OD1-CB 3.44Å; D713-S715 PolarHBondContact OD1-N 2.71Å; D713-S715 PolarHBondContact OD1-OG 2.97Å; D713-S715 PolarHBondContact OD2-OG 3.17Å
716	N	88.1	Confident	90.2	Very high	78 Å²	78	52.8 Å²	52.8	42%	0.417	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-4.2	-176.8	70	41	0	0	0	113.9	K660 D713	K660-N716 PolarHBondContact NZ-OD1 3.4Å; D713-N716 PolarHBondContact O-N 3Å; D713-N716 PolarHBondContact O-OD1 3.02Å; D713-N716 VanDerWaalsContact O-OD1 3.12Å
717	F	88.4	Confident	90.2	Very high	5 Å²	5	50.7 Å²	50.7	2%	0.022	27%	0.269	C	S	.	.	S	Bend	trans	-73.4	132.6	-178.9	-153.3	-84.8	0	0	0	111.6	V659 K660 Y712 D713 M714 K723 L726	V659-F717 HydrophobicContact CB-CZ 4.48Å; V659-F717 HydrophobicContact CG1-CE2 3.53Å; V659-F717 HydrophobicContact CG1-CZ 3.56Å; V659-F717 HydrophobicContact CG2-CZ 4.46Å; K660-F717 HydrophobicContact CG-CD2 4.43Å; K660-F717 HydrophobicContact CG-CE2 4.37Å; Y712-F717 HydrophobicContact CD1-CD2 4.38Å; Y712-F717 AromaticContact CD1-CE2 3.65Å; Y712-F717 HydrophobicContact CD1-CE2 3.65Å; Y712-F717 HydrophobicContact CD1-CZ 4.44Å; Y712-F717 AromaticContact CE1-CE2 3.95Å; Y712-F717 HydrophobicContact CE1-CE2 3.95Å; Y712-F717 HydrophobicContact CE1-CZ 4.46Å; D713-F717 WeakPolarHBondContact O-CB 3.45Å; D713-F717 PolarHBondContact O-N 3.49Å; D713-F717 VanDerWaalsContact O-N 3.12Å; M714-F717 HydrophobicContact CE-CB 4.38Å; M714-F717 HydrophobicContact CE-CD2 4.16Å; M714-F717 HydrophobicContact CE-CG 4.29Å; F717-K723 HydrophobicContact CB-CD 4.31Å; F717-K723 HydrophobicContact CB-CG 4.47Å; F717-K723 HydrophobicContact CD1-CB 3.69Å; F717-K723 HydrophobicContact CD1-CD 4.27Å; F717-K723 HydrophobicContact CD1-CG 3.96Å; F717-K723 HydrophobicContact CE1-CB 4.04Å; F717-K723 WeakPolarHBondContact O-CD 3.47Å; F717-K723 PolarHBondContact O-NZ 3.19Å; F717-L726 HydrophobicContact CE2-CD1 4.17Å; F717-L726 HydrophobicContact CZ-CD1 3.97Å
718	P	89.6	Confident	90.2	Very high	37 Å²	37	52.9 Å²	52.9	24%	0.24	28%	0.278	C	S	.	.			trans	-65.5	151.4	-179.2	27.1	-34.8	0	0	0	112.2	C720 K723	P718-C720 PolarHBondContact O-N 2.96Å; P718-C720 VanDerWaalsContact O-N 3.14Å; P718-K723 WeakPolarHBondContact O-CD 3.41Å
719	V	88.7	Confident	90.1	Very high	118 Å²	118	53.3 Å²	53.3	72%	0.715	28%	0.279	S	S	*	.	S	Bend	trans	-73	107.3	-179.8	-175.9	0	0	0	0	110
720	C	88.6	Confident	90	Very high	16 Å²	16	50.5 Å²	50.5	11%	0.108	26%	0.262	C	S	.	.	S	Bend	trans	-148.8	176.2	174.8	60.9	0	0	0	0	110.9	P718 A722 K723 R724	P718-C720 PolarHBondContact O-N 2.96Å; P718-C720 VanDerWaalsContact O-N 3.14Å; C720-A722 VanDerWaalsContact C-N 3.25Å; C720-A722 PolarHBondContact O-N 3.35Å; C720-K723 PolarHBondContact O-N 3.17Å; C720-R724 PolarHBondContact O-N 3.1Å
721	E	89.5	Confident	89.9	Confident	53 Å²	53	49 Å²	49	25%	0.248	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-38.5	176.8	-65	-163.8	161.1	0	0	111.5	E651 R652 K723 R724 Q725	E651-E721 VanDerWaalsContact OE2-CG 3.26Å; E651-E721 WeakPolarHBondContact OE2-CG 3.41Å; R652-E721 WeakPolarHBondContact CD-OE1 3.35Å; R652-E721 IonicContact NE-OE1 3.61Å; R652-E721 IonicContact NE-OE2 3.22Å; E721-K723 VanDerWaalsContact C-N 3.32Å; E721-K723 PolarHBondContact O-N 2.8Å; E721-R724 PolarHBondContact O-N 3.03Å; E721-R724 VanDerWaalsContact O-N 3.15Å; E721-Q725 PolarHBondContact O-N 3.14Å; E721-Q725 VanDerWaalsContact O-N 3.1Å
722	A	90.4	Very high	89.8	Confident	3 Å²	3	56.6 Å²	56.6	3%	0.025	29%	0.294	C	S	.	.	H	α-helix	trans	-56.7	-42.7	176.7	0	0	0	0	0	112.3	H649 W679 C720 Q725 L726	H649-A722 HydrophobicContact CB-CB 3.7Å; W679-A722 HydrophobicContact CH2-CB 3.61Å; W679-A722 HydrophobicContact CZ2-CB 4.08Å; W679-A722 HydrophobicContact CZ3-CB 4.38Å; C720-A722 VanDerWaalsContact C-N 3.25Å; C720-A722 PolarHBondContact O-N 3.35Å; A722-Q725 PolarHBondContact O-N 3.19Å; A722-L726 WeakPolarHBondContact O-CG 3.34Å; A722-L726 PolarHBondContact O-N 2.9Å
723	K	91.7	Very high	89.3	Confident	28 Å²	28	57.9 Å²	57.9	12%	0.122	30%	0.302	C	S	.	.	H	α-helix	trans	-60	-48.5	176	-173.2	175.4	-179.6	159.8	0	111.6	M714 F717 P718 C720 E721 Q725 L726 E727	M714-K723 VanDerWaalsContact O-CE 3.27Å; M714-K723 WeakPolarHBondContact O-CE 3.36Å; M714-K723 PolarHBondContact O-NZ 3.46Å; M714-K723 HydrophobicContact SD-CG 4.27Å; F717-K723 HydrophobicContact CB-CD 4.31Å; F717-K723 HydrophobicContact CB-CG 4.47Å; F717-K723 HydrophobicContact CD1-CB 3.69Å; F717-K723 HydrophobicContact CD1-CD 4.27Å; F717-K723 HydrophobicContact CD1-CG 3.96Å; F717-K723 HydrophobicContact CE1-CB 4.04Å; F717-K723 WeakPolarHBondContact O-CD 3.47Å; F717-K723 PolarHBondContact O-NZ 3.19Å; P718-K723 WeakPolarHBondContact O-CD 3.41Å; C720-K723 PolarHBondContact O-N 3.17Å; E721-K723 VanDerWaalsContact C-N 3.32Å; E721-K723 PolarHBondContact O-N 2.8Å; K723-Q725 VanDerWaalsContact C-N 3.28Å; K723-Q725 PolarHBondContact O-N 2.81Å; K723-L726 PolarHBondContact O-N 3.45Å; K723-L726 VanDerWaalsContact O-N 3.17Å; K723-E727 WeakPolarHBondContact CE-OE1 3.35Å; K723-E727 HydrophobicContact CG-CG 4.33Å; K723-E727 WeakPolarHBondContact O-CG 3.44Å; K723-E727 PolarHBondContact O-N 3.42Å
724	R	90.7	Very high	88.9	Confident	150 Å²	150	59.5 Å²	59.5	57%	0.566	31%	0.31	S	S	*	.	H	α-helix	trans	-59.8	-40.5	-178.9	-66.2	177.4	179.3	164.5	-0.2	111.3	C720 E721 Q728	C720-R724 PolarHBondContact O-N 3.1Å; E721-R724 PolarHBondContact O-N 3.03Å; E721-R724 VanDerWaalsContact O-N 3.15Å; R724-Q728 VanDerWaalsContact O-CG 3.29Å; R724-Q728 WeakPolarHBondContact O-CG 3.22Å; R724-Q728 PolarHBondContact O-N 3.22Å; R724-Q728 VanDerWaalsContact O-N 3.13Å
725	Q	90.9	Very high	88.6	Confident	39 Å²	39	60.8 Å²	60.8	18%	0.182	32%	0.322	C	S	.	.	H	α-helix	trans	-67.8	-43.1	177.4	-166.3	179.2	11.3	0	0	111.5	H649 E678 W679 E721 A722 K723 Q728 I729	H649-Q725 PolarHBondContact NE2-OE1 3.37Å; E678-Q725 PolarHBondContact OE2-NE2 3.16Å; W679-Q725 HydrophobicContact CZ2-CB 4.45Å; W679-Q725 VanDerWaalsContact NE1-CD 3.33Å; E721-Q725 PolarHBondContact O-N 3.14Å; E721-Q725 VanDerWaalsContact O-N 3.1Å; A722-Q725 PolarHBondContact O-N 3.19Å; K723-Q725 VanDerWaalsContact C-N 3.28Å; K723-Q725 PolarHBondContact O-N 2.81Å; Q725-Q728 PolarHBondContact O-N 2.93Å; Q725-I729 HydrophobicContact CG-CD1 3.99Å; Q725-I729 WeakPolarHBondContact O-CD1 3.39Å; Q725-I729 VanDerWaalsContact O-CG1 3.24Å; Q725-I729 WeakPolarHBondContact O-CG1 3.2Å; Q725-I729 PolarHBondContact O-N 2.94Å
726	L	91.9	Very high	87.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.1	-41.2	176.7	-70.6	173.1	0	0	0	112.4	W679 P701 L705 Y712 M714 F717 A722 K723 I729 A730	W679-L726 HydrophobicContact CH2-CD1 3.76Å; W679-L726 HydrophobicContact CH2-CD2 4.03Å; W679-L726 HydrophobicContact CH2-CG 3.73Å; W679-L726 HydrophobicContact CZ2-CD2 4.22Å; W679-L726 HydrophobicContact CZ2-CG 4.02Å; W679-L726 HydrophobicContact CZ3-CD1 4.48Å; P701-L726 HydrophobicContact CB-CD2 3.91Å; L705-L726 HydrophobicContact CD1-CD2 4.32Å; L705-L726 HydrophobicContact CD2-CB 4.44Å; L705-L726 HydrophobicContact CD2-CD2 4.17Å; L705-L726 HydrophobicContact CG-CD2 4.05Å; Y712-L726 HydrophobicContact CD1-CD1 3.68Å; Y712-L726 HydrophobicContact CE1-CD1 4.11Å; M714-L726 HydrophobicContact CE-CB 3.93Å; M714-L726 HydrophobicContact CE-CD1 3.9Å; M714-L726 HydrophobicContact SD-CB 3.85Å; F717-L726 HydrophobicContact CE2-CD1 4.17Å; F717-L726 HydrophobicContact CZ-CD1 3.97Å; A722-L726 WeakPolarHBondContact O-CG 3.34Å; A722-L726 PolarHBondContact O-N 2.9Å; K723-L726 PolarHBondContact O-N 3.45Å; K723-L726 VanDerWaalsContact O-N 3.17Å; L726-I729 PolarHBondContact O-N 3.45Å; L726-A730 WeakPolarHBondContact O-CB 3.2Å; L726-A730 PolarHBondContact O-N 3.31Å
727	E	91.5	Very high	86.7	Confident	86 Å²	86	66.9 Å²	66.9	40%	0.402	33%	0.328	S	S	.	.	H	α-helix	trans	-61.4	-44.5	174.9	-74.3	174.3	162.1	0	0	111.9	M714 K723 I729 A730 A731	M714-E727 HydrophobicContact CG-CG 4.13Å; M714-E727 HydrophobicContact SD-CG 3.84Å; K723-E727 WeakPolarHBondContact CE-OE1 3.35Å; K723-E727 HydrophobicContact CG-CG 4.33Å; K723-E727 WeakPolarHBondContact O-CG 3.44Å; K723-E727 PolarHBondContact O-N 3.42Å; E727-I729 VanDerWaalsContact C-N 3.31Å; E727-I729 PolarHBondContact O-N 2.99Å; E727-A730 PolarHBondContact O-N 3.49Å; E727-A731 WeakPolarHBondContact O-CB 3.46Å; E727-A731 PolarHBondContact O-N 3.21Å
728	Q	91	Very high	85.3	Confident	111 Å²	111	74.3 Å²	74.3	52%	0.519	36%	0.361	S	S	.	.	H	α-helix	trans	-61.9	-40.2	175.9	-73.1	176.1	16.1	0	0	112	R724 Q725 R732	R724-Q728 VanDerWaalsContact O-CG 3.29Å; R724-Q728 WeakPolarHBondContact O-CG 3.22Å; R724-Q728 PolarHBondContact O-N 3.22Å; R724-Q728 VanDerWaalsContact O-N 3.13Å; Q725-Q728 PolarHBondContact O-N 2.93Å; Q728-R732 VanDerWaalsContact O-CG 3.31Å; Q728-R732 WeakPolarHBondContact O-CG 3.32Å; Q728-R732 PolarHBondContact O-N 3.1Å
729	I	89.4	Confident	83.8	Confident	17 Å²	17	80.6 Å²	80.6	9%	0.087	39%	0.385	C	S	.	.	H	α-helix	trans	-69.4	-43.5	177.9	-67.8	164.3	0	0	0	110.7	P701 E702 L705 Q725 L726 E727 A731 R732 L733	P701-I729 HydrophobicContact CB-CD1 3.54Å; P701-I729 HydrophobicContact CG-CD1 3.32Å; E702-I729 HydrophobicContact CG-CG2 3.65Å; L705-I729 HydrophobicContact CD1-CB 4.32Å; L705-I729 HydrophobicContact CD1-CG2 3.95Å; Q725-I729 HydrophobicContact CG-CD1 3.99Å; Q725-I729 WeakPolarHBondContact O-CD1 3.39Å; Q725-I729 VanDerWaalsContact O-CG1 3.24Å; Q725-I729 WeakPolarHBondContact O-CG1 3.2Å; Q725-I729 PolarHBondContact O-N 2.94Å; L726-I729 PolarHBondContact O-N 3.45Å; E727-I729 VanDerWaalsContact C-N 3.31Å; E727-I729 PolarHBondContact O-N 2.99Å; I729-A731 VanDerWaalsContact C-N 3.33Å; I729-A731 PolarHBondContact O-N 3.46Å; I729-R732 PolarHBondContact O-N 3.27Å; I729-L733 HydrophobicContact CG2-CD1 3.97Å; I729-L733 HydrophobicContact CG2-CG 4.31Å; I729-L733 WeakPolarHBondContact O-CG 3.49Å; I729-L733 PolarHBondContact O-N 3.48Å
730	A	87.8	Confident	82.2	Confident	24 Å²	24	82.9 Å²	82.9	20%	0.198	39%	0.388	C	S	.	.	H	α-helix	trans	-58.8	-45.1	175.8	0	0	0	0	0	111.3	L705 L726 E727 R732 L733 N734	L705-A730 HydrophobicContact CD1-CB 4.06Å; L726-A730 WeakPolarHBondContact O-CB 3.2Å; L726-A730 PolarHBondContact O-N 3.31Å; E727-A730 PolarHBondContact O-N 3.49Å; A730-R732 PolarHBondContact O-N 2.99Å; A730-L733 PolarHBondContact O-N 3.37Å; A730-N734 WeakPolarHBondContact O-CB 3.46Å; A730-N734 PolarHBondContact O-N 3.26Å; A730-N734 PolarHBondContact O-ND2 3.17Å
731	A	89.2	Confident	80.4	Confident	61 Å²	61	85 Å²	85	50%	0.504	41%	0.412	S	S	.	.	H	α-helix	trans	-60.3	-43.4	175.1	0	0	0	0	0	112.1	E727 I729 N734 S735	E727-A731 WeakPolarHBondContact O-CB 3.46Å; E727-A731 PolarHBondContact O-N 3.21Å; I729-A731 VanDerWaalsContact C-N 3.33Å; I729-A731 PolarHBondContact O-N 3.46Å; A731-N734 PolarHBondContact O-N 3.45Å; A731-S735 WeakPolarHBondContact O-CB 3.13Å; A731-S735 PolarHBondContact O-N 2.92Å
732	R	88.3	Confident	77.8	Confident	161 Å²	161	93.9 Å²	93.9	61%	0.608	45%	0.45	S	S	*	.	H	α-helix	trans	-62.9	-44.3	175.2	-74.8	175.4	-175.6	170.4	4.2	112.1	Q728 I729 A730 S735 R736	Q728-R732 VanDerWaalsContact O-CG 3.31Å; Q728-R732 WeakPolarHBondContact O-CG 3.32Å; Q728-R732 PolarHBondContact O-N 3.1Å; I729-R732 PolarHBondContact O-N 3.27Å; A730-R732 PolarHBondContact O-N 2.99Å; R732-S735 PolarHBondContact O-N 3.02Å; R732-S735 PolarHBondContact O-OG 3.34Å; R732-R736 PolarHBondContact O-N 3.34Å
733	L	82.5	Confident	77.2	Confident	32 Å²	32	98.4 Å²	98.4	17%	0.168	47%	0.472	C	S	.	.	H	α-helix	trans	-63.6	-42.1	178.6	-72.1	172.2	0	0	0	111.8	L705 I729 A730 R736 K737	L705-L733 HydrophobicContact CD1-CD1 4.4Å; I729-L733 HydrophobicContact CG2-CD1 3.97Å; I729-L733 HydrophobicContact CG2-CG 4.31Å; I729-L733 WeakPolarHBondContact O-CG 3.49Å; I729-L733 PolarHBondContact O-N 3.48Å; A730-L733 PolarHBondContact O-N 3.37Å; L733-R736 PolarHBondContact O-N 2.87Å; L733-K737 PolarHBondContact O-N 3.15Å
734	N	81.7	Confident	76.4	Confident	96 Å²	96	102.1 Å²	102.1	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-64.9	-40.1	175.9	-71.2	-16.4	0	0	0	111.6	A730 A731 R736 K737 F738	A730-N734 WeakPolarHBondContact O-CB 3.46Å; A730-N734 PolarHBondContact O-N 3.26Å; A730-N734 PolarHBondContact O-ND2 3.17Å; A731-N734 PolarHBondContact O-N 3.45Å; N734-R736 VanDerWaalsContact C-N 3.31Å; N734-R736 PolarHBondContact O-N 2.96Å; N734-K737 PolarHBondContact O-N 3.47Å; N734-F738 PolarHBondContact O-N 3.29Å; N734-F738 VanDerWaalsContact O-N 3.13Å
735	S	81.1	Confident	75.6	Confident	62 Å²	62	99.4 Å²	99.4	43%	0.434	49%	0.486	S	S	.	.	H	α-helix	trans	-64.6	-32.4	175.7	76.3	0	0	0	0	113.3	A731 R732 K739	A731-S735 WeakPolarHBondContact O-CB 3.13Å; A731-S735 PolarHBondContact O-N 2.92Å; R732-S735 PolarHBondContact O-N 3.02Å; R732-S735 PolarHBondContact O-OG 3.34Å; S735-K739 PolarHBondContact O-N 2.92Å
736	R	73	Confident	74.7	Confident	155 Å²	155	103 Å²	103	59%	0.585	50%	0.504	S	S	*	.	H	α-helix	trans	-73.8	-43.5	176.2	-76.7	-175.1	176	176.8	-1	112.1	R732 L733 N734 F738 K739 E740	R732-R736 PolarHBondContact O-N 3.34Å; L733-R736 PolarHBondContact O-N 2.87Å; N734-R736 VanDerWaalsContact C-N 3.31Å; N734-R736 PolarHBondContact O-N 2.96Å; R736-F738 PolarHBondContact O-N 3.33Å; R736-K739 WeakPolarHBondContact O-CA 3.39Å; R736-K739 PolarHBondContact O-N 2.72Å; R736-E740 PolarHBondContact O-N 3.33Å
737	K	65.7	Low	73.6	Confident	150 Å²	150	109.4 Å²	109.4	65%	0.652	54%	0.535	S	S	*	.	H	α-helix	trans	-57.5	-37.9	174.2	-74.3	-175.7	176.3	-176.3	0	112	L733 N734 K739 G741	L733-K737 PolarHBondContact O-N 3.15Å; N734-K737 PolarHBondContact O-N 3.47Å; K737-K739 VanDerWaalsContact C-N 3.28Å; K737-K739 PolarHBondContact O-N 2.81Å; K737-G741 PolarHBondContact O-N 3.24Å
738	F	58.4	Low	72.4	Confident	162 Å²	162	111 Å²	111	71%	0.711	54%	0.544	S	S	*	.	H	α-helix	trans	-65.9	-27.1	174	-108.2	-83.9	0	0	0	113.8	N734 R736	N734-F738 PolarHBondContact O-N 3.29Å; N734-F738 VanDerWaalsContact O-N 3.13Å; R736-F738 PolarHBondContact O-N 3.33Å
739	K	57.3	Low	71.1	Confident	169 Å²	169	111 Å²	111	74%	0.735	55%	0.546	S	S	*	.	H	α-helix	trans	-87.1	-27.8	177.9	-74.1	-175.5	178.6	-172.1	0	113.9	S735 R736 K737	S735-K739 PolarHBondContact O-N 2.92Å; R736-K739 WeakPolarHBondContact O-CA 3.39Å; R736-K739 PolarHBondContact O-N 2.72Å; K737-K739 VanDerWaalsContact C-N 3.28Å; K737-K739 PolarHBondContact O-N 2.81Å
740	E	56.4	Low	69.7	Low	166 Å²	166	118.2 Å²	118.2	78%	0.776	58%	0.581	S	S	*	*	H	α-helix	trans	-86.4	-10.3	177.3	-70.1	174	177.2	0	0	112.8	R736	R736-E740 PolarHBondContact O-N 3.33Å
741	G	50.3	Low	68.2	Low	61 Å²	61	126.1 Å²	126.1	63%	0.629	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	17	176	0	0	0	0	0	115.4	K737	K737-G741 PolarHBondContact O-N 3.24Å
742	F	34.6	Very low	66.3	Low	238 Å²	238	132 Å²	132	100%	1.044	62%	0.623	S	S	*	*			trans	-130.4	0	175.4	-89.3	-81	0	0	0	111.7

Retrieved 742 of 742 residues in 297.5 ms (Link to these results)

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