A0A087XW07_POEFO Loading...

Leukocyte receptor cluster member 9

AlphaFold DB , UniProt , Accession A0A087XW07, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 568 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	42.1	Very low	39.9	Very low	240 Å²	240	127.1 Å²	127.1	100%	1.182	78%	0.779	S	S	*	*				0	98	0	-60.9	173.3	-178.1	0	0	104.2
2	A	36.8	Very low	39.2	Very low	90 Å²	90	125.8 Å²	125.8	74%	0.744	78%	0.779	S	S	*	*				67.7	106.6	71.9	0	0	0	0	0	109.4
3	S	39.3	Very low	38.8	Very low	100 Å²	100	128.5 Å²	128.5	70%	0.699	78%	0.781	S	S	*	*				82.2	133.1	61	-75.8	0	0	0	0	111.7
4	D	42.4	Very low	38.4	Very low	152 Å²	152	134.1 Å²	134.1	81%	0.813	79%	0.789	S	S	*	*			cis	-155	174.7	-7.2	-94.4	-44.8	0	0	0	109.4
5	G	38.8	Very low	37.9	Very low	68 Å²	68	135.5 Å²	135.5	70%	0.701	79%	0.792	S	S	*	*			trans	-95	-136.7	164.1	0	0	0	0	0	111.1
6	P	61.1	Low	37.8	Very low	109 Å²	109	139.5 Å²	139.5	71%	0.708	80%	0.8	S	S	*	*			cis	-141.7	-160.7	-28.2	42.4	-23.6	0	0	0	112.1
7	E	36.6	Very low	37.6	Very low	167 Å²	167	143.1 Å²	143.1	78%	0.78	80%	0.804	S	S	*	*			trans	61.7	156	151	-70.8	178.9	115.1	0	0	120.7
8	V	38.5	Very low	37.7	Very low	125 Å²	125	144.4 Å²	144.4	76%	0.758	81%	0.807	S	S	*	*			cis	91.2	127.7	21.2	172.9	0	0	0	0	113.1
9	S	35.2	Very low	37.3	Very low	99 Å²	99	140.8 Å²	140.8	69%	0.692	81%	0.806	S	S	*	*			cis	-158.8	168.9	6.7	-141.3	0	0	0	0	116.5
10	S	34.8	Very low	36.9	Very low	103 Å²	103	137.9 Å²	137.9	72%	0.72	81%	0.808	S	S	*	*			trans	61.5	142.7	137.8	70.4	0	0	0	0	125.8
11	D	33	Very low	36.7	Very low	145 Å²	145	140.3 Å²	140.3	78%	0.775	81%	0.812	S	S	*	*			trans	73.6	127.8	140.2	-122.1	-37.6	0	0	0	122.6
12	S	32.1	Very low	36.2	Very low	111 Å²	111	134.7 Å²	134.7	78%	0.776	80%	0.796	S	S	*	*				164.3	166.9	99.8	-148.4	0	0	0	0	116.5
13	M	33.3	Very low	36.1	Very low	162 Å²	162	137.1 Å²	137.1	80%	0.798	80%	0.796	S	S	*	*			trans	-82.7	157.2	-165.1	-47.7	168.3	-179.6	0	0	115.6
14	K	34	Very low	35.8	Very low	207 Å²	207	140 Å²	140	90%	0.9	80%	0.802	S	S	*	*				-176.4	159.8	111.3	-103.1	164.2	-175.3	169.2	0	116.9
15	N	31.2	Very low	35.3	Very low	155 Å²	155	139 Å²	139	83%	0.829	80%	0.802	S	S	*	*			trans	-68.6	155.4	177.3	-61.3	-37.9	0	0	0	114.3
16	Q	35.2	Very low	36.1	Very low	199 Å²	199	141.4 Å²	141.4	93%	0.93	81%	0.805	S	S	*	*				-147.8	161.6	126	-115.9	175.6	36.3	0	0	112.3
17	K	35.4	Very low	34.5	Very low	200 Å²	200	142.7 Å²	142.7	87%	0.87	81%	0.811	S	S	*	*			trans	-144.8	109.4	-163.6	173.8	-165.8	172	-176.9	0	111.3
18	I	39.4	Very low	34.3	Very low	167 Å²	167	138.9 Å²	138.9	86%	0.856	80%	0.803	S	S	*	*			trans	-148.5	136.7	163.2	-50.2	178.7	0	0	0	105.2
19	G	29.5	Very low	34	Very low	76 Å²	76	140.4 Å²	140.4	78%	0.784	81%	0.806	S	S	*	*			cis	129.7	101.3	3.3	0	0	0	0	0	110
20	G	28.7	Very low	33.7	Very low	82 Å²	82	141.2 Å²	141.2	85%	0.845	81%	0.807	S	S	*	*			trans	167	74.6	-174.9	0	0	0	0	0	114.3
21	E	33	Very low	33.3	Very low	190 Å²	190	143 Å²	143	89%	0.888	81%	0.808	S	S	*	*			trans	-79.7	144.4	160.4	-67.4	166.7	84.6	0	0	109.8
22	S	32.5	Very low	33.4	Very low	121 Å²	121	141 Å²	141	85%	0.846	81%	0.806	S	S	*	*			trans	-152.2	131.8	139.2	-168.1	0	0	0	0	110.3
23	L	34.6	Very low	34.2	Very low	142 Å²	142	141.5 Å²	141.5	74%	0.743	81%	0.807	S	S	*	*			trans	-94.7	-178.8	173	-83.1	154.9	0	0	0	110.8
24	L	32.1	Very low	34	Very low	160 Å²	160	140.8 Å²	140.8	84%	0.838	81%	0.806	S	S	*	*			trans	98.4	152.7	155.5	-52.9	-175.8	0	0	0	118.2
25	T	32.4	Very low	33.8	Very low	132 Å²	132	139.4 Å²	139.4	81%	0.81	81%	0.807	S	S	*	*			trans	-131.1	-135.1	-151.9	43.5	0	0	0	0	111.2
26	P	54.8	Low	33.8	Very low	118 Å²	118	139 Å²	139	77%	0.766	80%	0.804	S	S	*	*				-122	159.9	-122.6	37.2	-18.3	0	0	0	116.3
27	T	27.8	Very low	33.5	Very low	135 Å²	135	134.1 Å²	134.1	83%	0.828	80%	0.797	S	S	*	*			trans	-154.5	158.8	175.8	-32.3	0	0	0	0	110.1
28	S	32.1	Very low	33.1	Very low	87 Å²	87	130 Å²	130	61%	0.608	79%	0.789	S	S	*	*				-170.6	155.5	-75.7	58.9	0	0	0	0	109.9
29	L	33.9	Very low	32.6	Very low	158 Å²	158	128.2 Å²	128.2	83%	0.827	79%	0.786	S	S	*	*			trans	68.4	158	170.6	-50.3	170.4	0	0	0	113.9
30	T	28.5	Very low	32.5	Very low	116 Å²	116	130.4 Å²	130.4	71%	0.712	78%	0.784	S	S	*	*			cis	-151.8	177.4	-9.6	6.3	0	0	0	0	106.1
31	D	25.9	Very low	32.5	Very low	139 Å²	139	134.5 Å²	134.5	74%	0.743	78%	0.781	S	S	*	*			cis	-158.9	-171.4	21	-141	-30.4	0	0	0	111.8
32	S	35.9	Very low	32.3	Very low	103 Å²	103	132.1 Å²	132.1	72%	0.72	78%	0.78	S	S	*	*			trans	-138.4	164.1	166.9	-57.2	0	0	0	0	110.7
33	P	48.6	Very low	32	Very low	123 Å²	123	132.4 Å²	132.4	80%	0.799	77%	0.772	S	S	*	*				-156.4	-170.9	86.6	41.4	-20.1	0	0	0	116.3
34	D	29.1	Very low	31.7	Very low	147 Å²	147	136 Å²	136	79%	0.786	78%	0.775	S	S	*	*			trans	-74.6	171.8	-176.4	-43.8	-100.2	0	0	0	116.9
35	L	29.8	Very low	31.5	Very low	177 Å²	177	133.4 Å²	133.4	93%	0.927	77%	0.771	S	S	*	*			trans	-156.2	161.1	139.8	-106.2	-174.5	0	0	0	113.2
36	I	31.6	Very low	31.3	Very low	147 Å²	147	134.9 Å²	134.9	75%	0.754	77%	0.773	S	S	*	*			trans	-130.5	134.5	-170.1	-63.7	172	0	0	0	112.3	V38	I36-V38 HydrophobicContact CG2-CG2 3.74Å
37	A	27.4	Very low	30	Very low	96 Å²	96	136 Å²	136	79%	0.793	77%	0.773	S	S	*	*			trans	-163.2	137.8	158.1	0	0	0	0	0	109.6
38	V	28	Very low	30	Very low	114 Å²	114	136 Å²	136	69%	0.691	77%	0.773	S	S	*	*			cis	92.9	104.8	4.1	-166.5	0	0	0	0	117	I36	I36-V38 HydrophobicContact CG2-CG2 3.74Å
39	V	29.4	Very low	30.1	Very low	130 Å²	130	143 Å²	143	79%	0.788	79%	0.786	S	S	*	*			trans	58.8	158.7	169.5	-59.4	0	0	0	0	118.4
40	T	27.4	Very low	29.8	Very low	121 Å²	121	145.6 Å²	145.6	74%	0.742	79%	0.791	S	S	*	*			cis	-147.3	170.7	9.6	-21.3	0	0	0	0	113.1
41	E	28.7	Very low	29.9	Very low	169 Å²	169	147.1 Å²	147.1	79%	0.79	79%	0.794	S	S	*	*			trans	-60.4	158.6	174.2	-52.6	162.4	153.6	0	0	115.8
42	T	27.7	Very low	30.1	Very low	140 Å²	140	147 Å²	147	86%	0.859	80%	0.799	S	S	*	*				166.5	164.8	124.3	33.4	0	0	0	0	110.2
43	D	26.5	Very low	29.7	Very low	127 Å²	127	144.9 Å²	144.9	68%	0.679	79%	0.794	S	S	*	*			cis	-177.4	171.6	-39.6	178.2	35.5	0	0	0	107.1
44	R	27.4	Very low	28.8	Very low	216 Å²	216	148.9 Å²	148.9	82%	0.815	80%	0.802	S	S	*	*			trans	78.9	115.3	171.1	-43.6	176.1	87.8	123.6	3.8	114.2
45	S	28.9	Very low	29	Very low	107 Å²	107	147.4 Å²	147.4	75%	0.748	80%	0.803	S	S	*	*			cis	82	115.8	45.5	-58	0	0	0	0	114.9
46	N	28.1	Very low	29	Very low	162 Å²	162	143.3 Å²	143.3	87%	0.866	79%	0.789	S	S	*	*				-162.2	150.3	126.7	-119.5	-0.9	0	0	0	113.3
47	D	26.7	Very low	29.2	Very low	141 Å²	141	145.9 Å²	145.9	75%	0.754	80%	0.798	S	S	*	*			trans	-62.7	159.9	168.5	-71.1	-87.5	0	0	0	112.1
48	T	28.7	Very low	29.6	Very low	135 Å²	135	147.9 Å²	147.9	83%	0.828	79%	0.791	S	S	*	*				-177.1	150.3	81.5	-63.9	0	0	0	0	112.5
49	R	34.3	Very low	29.8	Very low	235 Å²	235	150.8 Å²	150.8	89%	0.887	80%	0.802	S	S	*	*			trans	-65.9	146.2	177.3	-48.5	161.5	-173.8	163.7	-0.2	113.2
50	K	27.3	Very low	30.4	Very low	212 Å²	212	153 Å²	153	92%	0.922	80%	0.802	S	S	*	*				-157.7	167.4	129.8	-128.1	-176.4	176.1	-175.6	0	113.9
51	D	31.3	Very low	31.1	Very low	148 Å²	148	153 Å²	153	79%	0.791	80%	0.797	S	S	*	*			trans	-104	-175.9	-168.7	-146.6	-35.2	0	0	0	111.6
52	T	28.7	Very low	32.2	Very low	137 Å²	137	147.6 Å²	147.6	84%	0.84	79%	0.787	S	S	*	*			trans	79.2	133.4	178.1	-16.3	0	0	0	0	115.1
53	G	27.9	Very low	33.6	Very low	59 Å²	59	147.2 Å²	147.2	61%	0.608	78%	0.778	S	S	*	*			cis	161.9	146.2	-9.7	0	0	0	0	0	112.5
54	E	29.8	Very low	35.6	Very low	206 Å²	206	147.3 Å²	147.3	96%	0.963	77%	0.773	S	S	*	*			trans	62.8	159.1	175.2	-55.5	-174.9	113.8	0	0	115.6
55	S	33.3	Very low	38.1	Very low	116 Å²	116	140 Å²	140	81%	0.811	75%	0.752	S	S	*	*			cis	-134.3	170.5	4.1	65.9	0	0	0	0	113.2
56	S	31.2	Very low	40.5	Very low	92 Å²	92	135 Å²	135	64%	0.643	72%	0.717	S	S	*	*			trans	-85.4	149.1	-173.6	57	0	0	0	0	115.2
57	E	35	Very low	42.9	Very low	201 Å²	201	133.7 Å²	133.7	94%	0.939	71%	0.706	S	S	*	*			trans	-120.6	147.8	139.7	-70.3	-156.3	136.9	0	0	110.3
58	Q	36	Very low	45.4	Very low	138 Å²	138	132.9 Å²	132.9	65%	0.645	70%	0.696	S	S	*	*			trans	-103.5	136.5	-170.4	-61.9	178.4	6.8	0	0	111.1
59	N	31.3	Very low	47.7	Very low	174 Å²	174	130 Å²	130	93%	0.93	67%	0.672	S	S	*	*			trans	-129.6	121.1	154.4	-121	-41.2	0	0	0	109.8
60	K	43	Very low	49.7	Very low	177 Å²	177	125.4 Å²	125.4	77%	0.77	66%	0.66	S	S	*	*			trans	-102.2	103.4	-169.9	-63.5	173	-174.2	167.6	0	109.7
61	D	42.2	Very low	51.8	Low	122 Å²	122	123.8 Å²	123.8	65%	0.652	65%	0.649	S	S	*	*			trans	-120.4	124.2	156.4	-164.5	4.2	0	0	0	108.3	L63 K64	D61-L63 PolarHBondContact O-N 3.48Å; D61-K64 IonicContact OD1-NZ 2.78Å; D61-K64 PolarHBondContact OD1-NZ 3.39Å; D61-K64 IonicContact OD2-NZ 2.79Å; D61-K64 PolarHBondContact OD2-NZ 2.87Å
62	G	51.2	Low	53.8	Low	55 Å²	55	120.2 Å²	120.2	57%	0.567	65%	0.647	S	S	*	*			trans	-69.1	132.3	-175	0	0	0	0	0	110.4	K64	G62-K64 VanDerWaalsContact C-N 3.29Å; G62-K64 PolarHBondContact O-N 2.83Å
63	L	56	Low	56.1	Low	131 Å²	131	120.6 Å²	120.6	69%	0.686	64%	0.637	S	S	*	*			trans	-64.1	86.8	178.5	-69.3	173.2	0	0	0	111	D61 V65 S83	D61-L63 PolarHBondContact O-N 3.48Å; L63-V65 PolarHBondContact O-N 2.77Å; L63-S83 WeakPolarHBondContact CB-OG 3.34Å
64	K	70.6	Confident	58.7	Low	129 Å²	129	119 Å²	119	56%	0.561	62%	0.616	S	S	*	*			trans	-56	131.3	179.1	-72.5	150.2	-173.6	140.8	0	109.6	D61 G62 L82 S83	D61-K64 IonicContact OD1-NZ 2.78Å; D61-K64 PolarHBondContact OD1-NZ 3.39Å; D61-K64 IonicContact OD2-NZ 2.79Å; D61-K64 PolarHBondContact OD2-NZ 2.87Å; G62-K64 VanDerWaalsContact C-N 3.29Å; G62-K64 PolarHBondContact O-N 2.83Å; K64-L82 HydrophobicContact CB-CD2 4.44Å; K64-L82 WeakPolarHBondContact O-CB 3.36Å; K64-L82 WeakPolarHBondContact O-CD2 3.43Å; K64-S83 PolarHBondContact O-N 3.27Å
65	V	78.9	Confident	61	Low	64 Å²	64	117.9 Å²	117.9	39%	0.388	61%	0.61	S	S	.	*	B	Isolated β-bridge	trans	-62.8	139.5	178.5	-178.1	0	0	0	0	109.5	L63 Q67 Q70	L63-V65 PolarHBondContact O-N 2.77Å; V65-Q67 PolarHBondContact O-N 3.33Å; V65-Q70 HydrophobicContact CG1-CG 4.12Å
66	C	78.9	Confident	62.8	Low	2 Å²	2	119.2 Å²	119.2	1%	0.014	60%	0.602	C	S	.	*			trans	-68.3	103.5	-176.3	-174.2	0	0	0	0	111.6	F68 F69 Q70 C80 L82 S83 H84	C66-F68 PolarHBondContact O-N 3.07Å; C66-F68 VanDerWaalsContact O-N 3.14Å; C66-F69 HydrophobicContact CB-CB 3.71Å; C66-F69 WeakPolarHBondContact O-CA 3.39Å; C66-F69 WeakPolarHBondContact O-CB 3.48Å; C66-F69 PolarHBondContact O-N 2.91Å; C66-F69 PolarHBondContact SG-N 2.87Å; C66-Q70 PolarHBondContact O-N 3.39Å; C66-C80 VanDerWaalsContact SG-SG 3.66Å; C66-L82 HydrophobicContact CB-CB 3.66Å; C66-S83 PolarHBondContact N-O 3.4Å; C66-H84 WeakPolarHBondContact CB-CD2 3.49Å
67	Q	78.7	Confident	64.7	Low	133 Å²	133	116.5 Å²	116.5	62%	0.621	59%	0.588	S	S	*	*	H	α-helix	trans	-59.5	-26	177.4	-63.2	-177.7	5.1	0	0	112.9	V65 R71	V65-Q67 PolarHBondContact O-N 3.33Å; Q67-R71 WeakPolarHBondContact O-CB 3.31Å; Q67-R71 WeakPolarHBondContact O-CD 3.32Å; Q67-R71 WeakPolarHBondContact O-CG 3.38Å; Q67-R71 PolarHBondContact O-N 2.9Å
68	F	78.4	Confident	66.2	Low	125 Å²	125	111.2 Å²	111.2	55%	0.548	59%	0.588	S	S	.	*	H	α-helix	trans	-76.7	-27.5	173.8	-63.9	-81.3	0	0	0	112.6	C66 G72 K73 C74	C66-F68 PolarHBondContact O-N 3.07Å; C66-F68 VanDerWaalsContact O-N 3.14Å; F68-G72 PolarHBondContact O-N 3.34Å; F68-K73 CarbonylContact O-C 3.52Å; F68-K73 WeakPolarHBondContact O-CA 3.48Å; F68-K73 PolarHBondContact O-N 3.44Å; F68-C74 HydrophobicContact CB-CB 4.17Å; F68-C74 PolarHBondContact O-N 2.83Å; F68-C74 VanDerWaalsContact O-N 3.17Å
69	F	78.3	Confident	67.7	Low	75 Å²	75	115.4 Å²	115.4	33%	0.329	60%	0.598	S	S	.	*	H	α-helix	trans	-73.2	-48.2	173.2	-179.3	-107	0	0	0	110.9	C66 R71 G72 C74 H84	C66-F69 HydrophobicContact CB-CB 3.71Å; C66-F69 WeakPolarHBondContact O-CA 3.39Å; C66-F69 WeakPolarHBondContact O-CB 3.48Å; C66-F69 PolarHBondContact O-N 2.91Å; C66-F69 PolarHBondContact SG-N 2.87Å; F69-R71 PolarHBondContact O-N 2.91Å; F69-G72 PolarHBondContact O-N 2.6Å; F69-C74 HydrophobicContact CB-CB 4.12Å; F69-H84 HydrophobicContact CD1-CB 3.95Å; F69-H84 AromaticContact CD1-CG 3.98Å; F69-H84 HydrophobicContact CD2-CB 4.23Å; F69-H84 AromaticContact CD2-CE1 3.61Å; F69-H84 AromaticContact CD2-CG 3.67Å; F69-H84 AromaticContact CD2-ND1 3.36Å; F69-H84 WeakPolarHBondContact CD2-ND1 3.26Å; F69-H84 HydrophobicContact CE1-CB 3.91Å; F69-H84 WeakPolarHBondContact CE1-O 3.21Å; F69-H84 HydrophobicContact CE2-CB 4.19Å; F69-H84 AromaticContact CE2-ND1 3.71Å; F69-H84 HydrophobicContact CG-CB 4.11Å; F69-H84 AromaticContact CG-CD2 3.72Å; F69-H84 AromaticContact CG-CE1 3.98Å; F69-H84 AromaticContact CG-CG 3.63Å; F69-H84 AromaticContact CG-ND1 3.81Å; F69-H84 AromaticContact CG-NE2 3.93Å; F69-H84 HydrophobicContact CZ-CB 4.04Å
70	Q	75	Confident	70	Confident	137 Å²	137	108.6 Å²	108.6	64%	0.64	56%	0.564	S	S	*	*	H	α-helix	trans	-54.2	-24.7	172.3	-68.7	179.4	-25.6	0	0	113.5	V65 C66	V65-Q70 HydrophobicContact CG1-CG 4.12Å; C66-Q70 PolarHBondContact O-N 3.39Å
71	R	73.2	Confident	71.6	Confident	178 Å²	178	111.4 Å²	111.4	67%	0.672	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	8.3	178.7	-64.3	172	77.4	-171.7	6.8	113.8	Q67 F69 K73	Q67-R71 WeakPolarHBondContact O-CB 3.31Å; Q67-R71 WeakPolarHBondContact O-CD 3.32Å; Q67-R71 WeakPolarHBondContact O-CG 3.38Å; Q67-R71 PolarHBondContact O-N 2.9Å; F69-R71 PolarHBondContact O-N 2.91Å; R71-K73 VanDerWaalsContact C-N 3.34Å; R71-K73 WeakPolarHBondContact O-CG 3.47Å; R71-K73 PolarHBondContact O-N 3.43Å
72	G	72.1	Confident	73.3	Confident	73 Å²	73	109 Å²	109	75%	0.753	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	68	24	176.9	0	0	0	0	0	115.4	F68 F69	F68-G72 PolarHBondContact O-N 3.34Å; F69-G72 PolarHBondContact O-N 2.6Å
73	K	77.4	Confident	74.5	Confident	146 Å²	146	108 Å²	108	64%	0.635	54%	0.541	S	S	*	.			trans	-130.1	15.2	-169.1	-68.8	178.3	-175.4	-168.6	0	114.4	F68 R71 H75	F68-K73 CarbonylContact O-C 3.52Å; F68-K73 WeakPolarHBondContact O-CA 3.48Å; F68-K73 PolarHBondContact O-N 3.44Å; R71-K73 VanDerWaalsContact C-N 3.34Å; R71-K73 WeakPolarHBondContact O-CG 3.47Å; R71-K73 PolarHBondContact O-N 3.43Å; K73-H75 PolarHBondContact O-N 2.88Å
74	C	82.5	Confident	75.4	Confident	25 Å²	25	104 Å²	104	17%	0.169	52%	0.518	C	S	.	.			trans	-79.6	97.6	179.5	-171.6	0	0	0	0	112	F68 F69 F76 G77 H84	F68-C74 HydrophobicContact CB-CB 4.17Å; F68-C74 PolarHBondContact O-N 2.83Å; F68-C74 VanDerWaalsContact O-N 3.17Å; F69-C74 HydrophobicContact CB-CB 4.12Å; C74-F76 PolarHBondContact O-N 2.94Å; C74-F76 VanDerWaalsContact O-N 3.12Å; C74-G77 PolarHBondContact O-N 3.31Å; C74-H84 VanDerWaalsContact SG-CE1 3.51Å; C74-H84 PolarHBondContact SG-NE2 3.34Å; C74-H84 VanDerWaalsContact SG-NE2 3.42Å
75	H	77.4	Confident	75.3	Confident	183 Å²	183	102.3 Å²	102.3	85%	0.847	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.1	175.7	-78	-96.3	0	0	0	114.7	K73	K73-H75 PolarHBondContact O-N 2.88Å
76	F	72.4	Confident	73.9	Confident	143 Å²	143	105.7 Å²	105.7	63%	0.627	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-15.4	-175.9	-59.9	-78.4	0	0	0	113.9	C74 G78 R79 C80	C74-F76 PolarHBondContact O-N 2.94Å; C74-F76 VanDerWaalsContact O-N 3.12Å; F76-G78 PolarHBondContact O-N 3.48Å; F76-R79 WeakPolarHBondContact O-CA 3.28Å; F76-R79 WeakPolarHBondContact O-CB 3.46Å; F76-R79 PolarHBondContact O-N 3.37Å; F76-C80 HydrophobicContact CB-CB 3.98Å
77	G	71.1	Confident	72.3	Confident	35 Å²	35	111.6 Å²	111.6	36%	0.361	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	51.5	-137.7	179.9	0	0	0	0	0	112.6	C74 R79 C80 H84	C74-G77 PolarHBondContact O-N 3.31Å; G77-R79 PolarHBondContact O-N 3.29Å; G77-C80 PolarHBondContact O-N 3Å; G77-C80 VanDerWaalsContact O-N 3.14Å; G77-H84 PolarHBondContact O-CE1 2.8Å; G77-H84 PolarHBondContact O-ND1 3.07Å
78	G	65.1	Low	70.2	Confident	90 Å²	90	110.5 Å²	110.5	93%	0.928	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-66.5	3.8	175.4	0	0	0	0	0	115.9	F76	F76-G78 PolarHBondContact O-N 3.48Å
79	R	68.7	Low	69.2	Low	226 Å²	226	109.1 Å²	109.1	85%	0.853	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-106.5	13.7	172	-57.9	-174.2	-63.4	175.1	0.4	112.7	F76 G77	F76-R79 WeakPolarHBondContact O-CA 3.28Å; F76-R79 WeakPolarHBondContact O-CB 3.46Å; F76-R79 PolarHBondContact O-N 3.37Å; G77-R79 PolarHBondContact O-N 3.29Å
80	C	79	Confident	67	Low	32 Å²	32	113.7 Å²	113.7	22%	0.216	61%	0.61	C	S	.	*			trans	-70.4	141.8	173.8	-160.7	0	0	0	0	111.1	C66 F76 G77 L82 H84	C66-C80 VanDerWaalsContact SG-SG 3.66Å; F76-C80 HydrophobicContact CB-CB 3.98Å; G77-C80 PolarHBondContact O-N 3Å; G77-C80 VanDerWaalsContact O-N 3.14Å; C80-L82 PolarHBondContact O-N 3.46Å; C80-H84 WeakPolarHBondContact CB-NE2 3.5Å
81	R	76.4	Confident	64.8	Low	236 Å²	236	115.3 Å²	115.3	89%	0.891	62%	0.617	S	S	*	*	S	Bend	trans	-76.4	-4	175.1	-167.8	174.5	175.7	-170.5	-1.3	113.2
82	L	79	Confident	63	Low	72 Å²	72	110.7 Å²	110.7	38%	0.377	61%	0.612	S	S	.	*	S	Bend	trans	-117.8	142.5	-177.2	-63.3	175.5	0	0	0	109.7	K64 C66 C80 H84	K64-L82 HydrophobicContact CB-CD2 4.44Å; K64-L82 WeakPolarHBondContact O-CB 3.36Å; K64-L82 WeakPolarHBondContact O-CD2 3.43Å; C66-L82 HydrophobicContact CB-CB 3.66Å; C80-L82 PolarHBondContact O-N 3.46Å; L82-H84 PolarHBondContact O-CD2 2.78Å
83	S	75.7	Confident	60.9	Low	34 Å²	34	112 Å²	112	24%	0.238	62%	0.616	C	S	.	*	B	Isolated β-bridge	trans	-62.5	137.7	-171.4	-59.9	0	0	0	0	113.1	L63 K64 C66	L63-S83 WeakPolarHBondContact CB-OG 3.34Å; K64-S83 PolarHBondContact O-N 3.27Å; C66-S83 PolarHBondContact N-O 3.4Å
84	H	75.3	Confident	58.7	Low	45 Å²	45	111 Å²	111	21%	0.208	62%	0.622	C	S	.	*			trans	-112.7	25.2	177.2	-73.5	-165	0	0	0	112.1	C66 F69 C74 G77 C80 L82	C66-H84 WeakPolarHBondContact CB-CD2 3.49Å; F69-H84 HydrophobicContact CD1-CB 3.95Å; F69-H84 AromaticContact CD1-CG 3.98Å; F69-H84 HydrophobicContact CD2-CB 4.23Å; F69-H84 AromaticContact CD2-CE1 3.61Å; F69-H84 AromaticContact CD2-CG 3.67Å; F69-H84 AromaticContact CD2-ND1 3.36Å; F69-H84 WeakPolarHBondContact CD2-ND1 3.26Å; F69-H84 HydrophobicContact CE1-CB 3.91Å; F69-H84 WeakPolarHBondContact CE1-O 3.21Å; F69-H84 HydrophobicContact CE2-CB 4.19Å; F69-H84 AromaticContact CE2-ND1 3.71Å; F69-H84 HydrophobicContact CG-CB 4.11Å; F69-H84 AromaticContact CG-CD2 3.72Å; F69-H84 AromaticContact CG-CE1 3.98Å; F69-H84 AromaticContact CG-CG 3.63Å; F69-H84 AromaticContact CG-ND1 3.81Å; F69-H84 AromaticContact CG-NE2 3.93Å; F69-H84 HydrophobicContact CZ-CB 4.04Å; C74-H84 VanDerWaalsContact SG-CE1 3.51Å; C74-H84 PolarHBondContact SG-NE2 3.34Å; C74-H84 VanDerWaalsContact SG-NE2 3.42Å; G77-H84 PolarHBondContact O-CE1 2.8Å; G77-H84 PolarHBondContact O-ND1 3.07Å; C80-H84 WeakPolarHBondContact CB-NE2 3.5Å; L82-H84 PolarHBondContact O-CD2 2.78Å
85	S	68.2	Low	56.2	Low	95 Å²	95	117.6 Å²	117.6	66%	0.664	66%	0.655	S	S	*	*			trans	-82.9	125	179.6	-49.8	0	0	0	0	111.1
86	D	48.8	Very low	54	Low	134 Å²	134	113.8 Å²	113.8	72%	0.717	65%	0.649	S	S	*	*			trans	-75.2	139.7	172.2	-68.4	-49.1	0	0	0	111.4	S88	D86-S88 PolarHBondContact O-N 3.4Å; D86-S88 VanDerWaalsContact O-N 3.17Å
87	P	46.3	Very low	52.7	Low	127 Å²	127	112.2 Å²	112.2	83%	0.825	65%	0.653	S	S	*	*			trans	-80.6	94.5	178.1	31.8	-33.4	0	0	0	111.3
88	S	35	Very low	50.7	Low	110 Å²	110	116.7 Å²	116.7	77%	0.769	67%	0.668	S	S	*	*			trans	-76.2	132.3	169.8	-170.8	0	0	0	0	111.4	D86	D86-S88 PolarHBondContact O-N 3.4Å; D86-S88 VanDerWaalsContact O-N 3.17Å
89	P	56.1	Low	49.6	Very low	95 Å²	95	119.6 Å²	119.6	62%	0.617	66%	0.66	S	S	*	*			trans	-82.9	178.6	169	34.2	-33.6	0	0	0	112.5
90	H	31.6	Very low	47.9	Very low	172 Å²	172	115.9 Å²	115.9	80%	0.796	66%	0.657	S	S	*	*			trans	72.4	141	-177.3	-66	-86.3	0	0	0	114.4
91	E	30	Very low	45.8	Very low	170 Å²	170	119.6 Å²	119.6	79%	0.794	67%	0.674	S	S	*	*			cis	-134	147.9	7.7	-86.6	-138.2	90.4	0	0	109.1
92	S	35.2	Very low	44.1	Very low	82 Å²	82	115.2 Å²	115.2	57%	0.573	66%	0.662	S	S	*	*			cis	117.9	144.6	44.9	-66.5	0	0	0	0	108.5
93	A	28.5	Very low	41.9	Very low	101 Å²	101	119.2 Å²	119.2	84%	0.835	68%	0.679	S	S	*	*			trans	73.8	145	172.7	0	0	0	0	0	117.1
94	V	30.2	Very low	39.8	Very low	124 Å²	124	123.8 Å²	123.8	75%	0.752	70%	0.7	S	S	*	*			cis	-158.3	145.9	-5.6	102.4	0	0	0	0	113.5
95	L	30.4	Very low	37.8	Very low	164 Å²	164	130.2 Å²	130.2	86%	0.859	73%	0.73	S	S	*	*			trans	68.6	162	161.2	-66.2	172.2	0	0	0	121.9
96	S	31	Very low	36.1	Very low	103 Å²	103	132.8 Å²	132.8	72%	0.72	73%	0.732	S	S	*	*			trans	-123.9	-171.8	-165.3	57.6	0	0	0	0	110.9
97	P	44.3	Very low	35.3	Very low	110 Å²	110	133.4 Å²	133.4	71%	0.714	73%	0.728	S	S	*	*			cis	-117.3	-156.1	-0.1	35.6	-12.3	0	0	0	111.5
98	D	29.6	Very low	34.5	Very low	129 Å²	129	134.6 Å²	134.6	69%	0.69	72%	0.724	S	S	*	*			cis	-167.6	-175.8	22.3	-146.9	-25.3	0	0	0	112.5
99	M	41.4	Very low	34.3	Very low	151 Å²	151	135.6 Å²	135.6	74%	0.744	72%	0.717	S	S	*	*			trans	101	135.8	167.1	-54	-69	92.4	0	0	119.2
100	D	34.3	Very low	33	Very low	148 Å²	148	137.9 Å²	137.9	79%	0.791	72%	0.717	S	S	*	*			trans	-68	175.8	179.6	-62.7	-78.4	0	0	0	114.1
101	D	35	Very low	33	Very low	109 Å²	109	138.6 Å²	138.6	58%	0.583	72%	0.72	S	S	*	*			cis	-163.7	154.5	30.3	-161.3	13.1	0	0	0	115
102	K	39.4	Very low	33.1	Very low	145 Å²	145	139.8 Å²	139.8	63%	0.63	72%	0.723	S	S	*	*			trans	53.9	118.3	158.9	-80.9	162.8	-164.1	73.4	0	121.3
103	Q	33.8	Very low	32.8	Very low	156 Å²	156	145.9 Å²	145.9	73%	0.729	74%	0.739	S	S	*	*				72.5	138.6	86.6	-69.8	-169.1	-49.7	0	0	114.5
104	D	31	Very low	33	Very low	130 Å²	130	150.4 Å²	150.4	70%	0.695	74%	0.74	S	S	*	*			cis	-153.6	-167.5	-7.7	-118.8	-54.5	0	0	0	106.7
105	E	32.8	Very low	32.9	Very low	179 Å²	179	154.5 Å²	154.5	84%	0.836	75%	0.748	S	S	*	*			cis	-139.3	-168.4	15.2	-56.7	176.9	96	0	0	111.3
106	E	33.6	Very low	32.7	Very low	150 Å²	150	150.6 Å²	150.6	70%	0.701	75%	0.747	S	S	*	*			trans	-134.8	172.9	171.2	-70.5	-150.7	96.7	0	0	111.5
107	K	31.6	Very low	32.7	Very low	147 Å²	147	150.8 Å²	150.8	64%	0.639	76%	0.755	S	S	*	*			cis	-158.6	-177.6	15.2	-144.4	165.9	-179.2	74.9	0	113.1
108	M	28.9	Very low	32.2	Very low	151 Å²	151	152.7 Å²	152.7	74%	0.744	76%	0.764	S	S	*	*			trans	-29.4	161.9	150.8	-67.8	177.5	171.8	0	0	116.6
109	E	31.4	Very low	32.3	Very low	131 Å²	131	150.9 Å²	150.9	61%	0.612	76%	0.762	S	S	*	*			cis	-165.6	173	10	-132	-166.9	155.7	0	0	115.1
110	K	29.1	Very low	31.8	Very low	143 Å²	143	153.8 Å²	153.8	62%	0.622	77%	0.77	S	S	*	*			trans	49	128	147.5	-77.4	174.3	178.6	105.9	0	121.6
111	H	30.8	Very low	31.8	Very low	187 Å²	187	153 Å²	153	87%	0.866	77%	0.771	S	S	*	*				-164.1	165.3	100.1	-102.4	124.6	0	0	0	115.1
112	K	32.4	Very low	31.8	Very low	196 Å²	196	152.2 Å²	152.2	85%	0.852	78%	0.779	S	S	*	*			trans	-100.4	145.8	-176.1	-66.1	171.6	174.5	171.4	0	112.6
113	K	30.2	Very low	31.4	Very low	210 Å²	210	154.8 Å²	154.8	91%	0.913	79%	0.79	S	S	*	*			trans	-167.3	102.4	135.6	-110.4	163.8	-173.4	174.9	0	116.4
114	K	31.8	Very low	31.6	Very low	196 Å²	196	153 Å²	153	85%	0.852	79%	0.792	S	S	*	*			trans	28.9	142	134.6	-116.8	178.2	-178.5	179.7	0	122.3
115	K	28.5	Very low	31.8	Very low	210 Å²	210	156.7 Å²	156.7	91%	0.913	80%	0.802	S	S	*	*			trans	83.5	130.6	170.5	-54.4	179.7	179.4	-176.6	0	114.5
116	G	26.1	Very low	31.7	Very low	81 Å²	81	156 Å²	156	84%	0.835	80%	0.804	S	S	*	*			cis	172.6	141.9	-10.8	0	0	0	0	0	112.5
117	A	31	Very low	31.8	Very low	107 Å²	107	157.6 Å²	157.6	88%	0.884	81%	0.811	S	S	*	*			trans	-146.8	156.7	176.2	0	0	0	0	0	110.8
118	V	34.1	Very low	32.2	Very low	150 Å²	150	154.1 Å²	154.1	91%	0.909	82%	0.818	S	S	*	*			trans	-89.2	151	-168.8	176.9	0	0	0	0	112.4
119	S	30.4	Very low	32.3	Very low	92 Å²	92	153.1 Å²	153.1	64%	0.643	82%	0.82	S	S	*	*			trans	-73.6	136.4	-169.9	-166.9	0	0	0	0	114.5
120	K	32.3	Very low	33.2	Very low	211 Å²	211	153.9 Å²	153.9	92%	0.917	83%	0.828	S	S	*	*			trans	-103.4	114.9	150	-80.1	-172.3	175.6	-178.5	0	107.7
121	V	34.6	Very low	33.8	Very low	133 Å²	133	152.2 Å²	152.2	81%	0.806	83%	0.83	S	S	*	*			trans	-81.8	128.7	179.6	175.5	0	0	0	0	110.1
122	A	34.7	Very low	34.5	Very low	91 Å²	91	150.3 Å²	150.3	75%	0.752	83%	0.826	S	S	*	*			trans	-84.8	152	171.1	0	0	0	0	0	111.4
123	K	31	Very low	35.8	Very low	200 Å²	200	150 Å²	150	87%	0.87	83%	0.825	S	S	*	*			trans	-107.4	150.5	157.4	-106.6	-166.3	170.7	-172.3	0	109.4
124	P	36.7	Very low	37.3	Very low	119 Å²	119	147.9 Å²	147.9	77%	0.773	82%	0.815	S	S	*	*			trans	-76.8	167.4	-171.1	33.1	-36.5	0	0	0	112.6
125	K	35.4	Very low	39	Very low	207 Å²	207	142.5 Å²	142.5	90%	0.9	80%	0.801	S	S	*	*			trans	-71.2	147.9	160.1	-62.5	177.9	179.9	178.9	0	109.2
126	D	31.5	Very low	41.1	Very low	165 Å²	165	142.7 Å²	142.7	88%	0.882	80%	0.796	S	S	*	*			trans	-131.2	154.4	162.7	-160.2	1.2	0	0	0	107.7
127	E	36.1	Very low	43.5	Very low	182 Å²	182	140.1 Å²	140.1	85%	0.85	76%	0.762	S	S	*	*			trans	-101.6	155.2	-175.9	-68.3	-162	131.6	0	0	112.7
128	G	38.9	Very low	46	Very low	75 Å²	75	140.3 Å²	140.3	77%	0.773	74%	0.74	S	S	*	*			trans	66.6	77.6	152.9	0	0	0	0	0	118
129	T	32.4	Very low	48.5	Very low	130 Å²	130	135.7 Å²	135.7	80%	0.798	71%	0.712	S	S	*	*			trans	-143.5	126.2	141.6	-45.2	0	0	0	0	110.5	V131	T129-V131 PolarHBondContact O-N 2.87Å
130	D	49.5	Very low	51.1	Low	147 Å²	147	131.6 Å²	131.6	79%	0.786	68%	0.684	S	S	*	*			trans	-78.5	86.5	-175.7	-135.2	-42.3	0	0	0	111.3	N132	D130-N132 PolarHBondContact O-N 2.91Å; D130-N132 PolarHBondContact O-ND2 2.82Å; D130-N132 VanDerWaalsContact O-ND2 3.13Å
131	V	42.5	Very low	53.6	Low	108 Å²	108	124.2 Å²	124.2	66%	0.655	66%	0.655	S	S	*	*			trans	-69.3	101.5	178.1	-171.2	0	0	0	0	108.5	T129 K133	T129-V131 PolarHBondContact O-N 2.87Å; V131-K133 VanDerWaalsContact C-N 3.29Å; V131-K133 PolarHBondContact O-N 2.75Å
132	N	45.2	Very low	55.9	Low	147 Å²	147	120.7 Å²	120.7	79%	0.786	63%	0.629	S	S	*	*			trans	-59.9	82.3	-179.4	-89.1	-105.5	0	0	0	112	D130 K134	D130-N132 PolarHBondContact O-N 2.91Å; D130-N132 PolarHBondContact O-ND2 2.82Å; D130-N132 VanDerWaalsContact O-ND2 3.13Å; N132-K134 PolarHBondContact O-N 3.19Å
133	K	59.3	Low	58.3	Low	188 Å²	188	116.3 Å²	116.3	82%	0.817	59%	0.593	S	S	*	*			trans	-71.1	97	177.4	-74.7	171.9	-173.7	173.7	0	109.1	V131	V131-K133 VanDerWaalsContact C-N 3.29Å; V131-K133 PolarHBondContact O-N 2.75Å
134	K	61.1	Low	60.9	Low	166 Å²	166	107 Å²	107	72%	0.722	55%	0.553	S	S	*	*			trans	-42.8	133.6	173.1	-62.5	-175.6	-179.6	-176.3	0	109.9	N132	N132-K134 PolarHBondContact O-N 3.19Å
135	P	67.4	Low	63.2	Low	84 Å²	84	103.9 Å²	103.9	55%	0.545	53%	0.534	S	S	.	.			trans	-48.2	149.1	-172.8	-32.1	35.8	0	0	0	114.7	M137 R215 S222	P135-M137 PolarHBondContact O-N 2.79Å; P135-M137 VanDerWaalsContact O-N 3.14Å; P135-R215 PolarHBondContact O-NH2 3.14Å; P135-S222 WeakPolarHBondContact CB-O 3.3Å
136	R	72.9	Confident	65.5	Low	214 Å²	214	97.6 Å²	97.6	81%	0.808	51%	0.505	S	S	*	.			trans	-66.1	113.7	176	178.6	176.5	170.9	177.5	-3.7	108.9
137	M	77.8	Confident	68.1	Low	27 Å²	27	90 Å²	90	13%	0.133	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-67.5	147.3	173.8	-171.3	170.5	78.7	0	0	110.5	P135 W210 R215 D217 T223	P135-M137 PolarHBondContact O-N 2.79Å; P135-M137 VanDerWaalsContact O-N 3.14Å; M137-W210 HydrophobicContact CE-CZ2 4.04Å; M137-R215 HydrophobicContact CE-CG 4.47Å; M137-R215 VanDerWaalsContact SD-CA 3.51Å; M137-R215 HydrophobicContact SD-CB 3.94Å; M137-R215 HydrophobicContact SD-CG 4.27Å; M137-D217 HydrophobicContact CG-CB 4.06Å; M137-D217 HydrophobicContact SD-CB 4.43Å; M137-T223 HydrophobicContact CB-CG2 3.86Å; M137-T223 HydrophobicContact CG-CG2 3.79Å; M137-T223 HydrophobicContact SD-CG2 3.91Å
138	R	82.4	Confident	70.3	Confident	111 Å²	111	84 Å²	84	42%	0.419	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-65.7	149.7	175.3	-65.7	-76.3	176.1	-176.8	0.4	111.2	E142 W210 F220 S222	R138-E142 VanDerWaalsContact CA-OE2 3.23Å; R138-E142 WeakPolarHBondContact CA-OE2 3.18Å; R138-E142 HydrophobicContact CB-CB 4.22Å; R138-E142 WeakPolarHBondContact CB-OE2 3.14Å; R138-E142 WeakPolarHBondContact CD-OE1 3.47Å; R138-E142 WeakPolarHBondContact CD-OE2 3.35Å; R138-E142 IonicContact CZ-OE1 3.71Å; R138-E142 IonicContact NE-OE1 2.66Å; R138-E142 IonicContact NH1-OE1 3.91Å; R138-E142 PolarHBondContact NH1-OE1 2.82Å; R138-W210 WeakPolarHBondContact O-CZ2 3.41Å; R138-W210 PolarHBondContact O-NE1 2.9Å; R138-W210 VanDerWaalsContact O-NE1 3.08Å; R138-F220 HydrophobicContact CB-CD2 3.82Å; R138-F220 HydrophobicContact CB-CE2 4.15Å; R138-F220 HydrophobicContact CB-CG 4.44Å; R138-F220 HydrophobicContact CG-CB 3.96Å; R138-F220 HydrophobicContact CG-CD1 4.45Å; R138-F220 HydrophobicContact CG-CD2 3.7Å; R138-F220 HydrophobicContact CG-CE2 4.24Å; R138-F220 HydrophobicContact CG-CG 3.81Å; R138-S222 WeakPolarHBondContact CG-OG 3.47Å
139	T	86	Confident	72.1	Confident	52 Å²	52	86.9 Å²	86.9	32%	0.319	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-78.3	164.1	179.6	65.2	0	0	0	0	111.8	D141 E142 V143	T139-D141 PolarHBondContact O-N 2.97Å; T139-E142 PolarHBondContact N-OE2 2.98Å; T139-E142 PolarHBondContact O-N 3.22Å; T139-E142 WeakPolarHBondContact OG1-CG 3.36Å; T139-E142 PolarHBondContact OG1-N 2.98Å; T139-E142 PolarHBondContact OG1-OE2 3.02Å; T139-V143 PolarHBondContact O-N 2.96Å
140	A	85.9	Confident	74.3	Confident	6 Å²	6	82.1 Å²	82.1	5%	0.05	40%	0.395	C	S	.	.	H	α-helix	trans	-57.3	-39.6	171.8	0	0	0	0	0	111.3	E142 V143 I144 I199 F202 W210	A140-E142 VanDerWaalsContact C-N 3.32Å; A140-E142 PolarHBondContact O-N 2.81Å; A140-V143 CarbonylContact O-C 3.45Å; A140-V143 WeakPolarHBondContact O-CA 3.47Å; A140-V143 WeakPolarHBondContact O-CB 3.33Å; A140-V143 PolarHBondContact O-N 3.04Å; A140-I144 VanDerWaalsContact O-CG1 3.29Å; A140-I144 WeakPolarHBondContact O-CG1 3.5Å; A140-I144 PolarHBondContact O-N 3.17Å; A140-I199 HydrophobicContact CB-CB 4.3Å; A140-I199 HydrophobicContact CB-CD1 4.14Å; A140-I199 HydrophobicContact CB-CG2 4.38Å; A140-F202 HydrophobicContact CB-CE2 4Å; A140-F202 HydrophobicContact CB-CZ 4.3Å; A140-W210 HydrophobicContact CB-CH2 3.88Å; A140-W210 HydrophobicContact CB-CZ2 4.44Å; A140-W210 HydrophobicContact CB-CZ3 4.28Å
141	D	83.5	Confident	75.1	Confident	57 Å²	57	81.6 Å²	81.6	31%	0.305	40%	0.397	S	S	.	.	H	α-helix	trans	-56.4	-41.3	176.1	-54	38.9	0	0	0	112.8	T139 V143 S145 R196	T139-D141 PolarHBondContact O-N 2.97Å; D141-V143 VanDerWaalsContact C-N 3.35Å; D141-S145 VanDerWaalsContact O-CB 3.27Å; D141-S145 WeakPolarHBondContact O-CB 3.44Å; D141-S145 PolarHBondContact O-N 3Å; D141-S145 PolarHBondContact O-OG 3.13Å; D141-R196 WeakPolarHBondContact OD2-CD 3.33Å; D141-R196 IonicContact OD2-CZ 3.06Å; D141-R196 IonicContact OD2-NE 3.71Å; D141-R196 IonicContact OD2-NH1 3.67Å; D141-R196 PolarHBondContact OD2-NH1 3.13Å
142	E	82.9	Confident	76.4	Confident	58 Å²	58	80.2 Å²	80.2	27%	0.271	39%	0.392	S	S	.	.	H	α-helix	trans	-68.6	-34.6	176.2	-68.6	173.2	112.2	0	0	111.2	R138 T139 A140 R146 F220	R138-E142 VanDerWaalsContact CA-OE2 3.23Å; R138-E142 WeakPolarHBondContact CA-OE2 3.18Å; R138-E142 HydrophobicContact CB-CB 4.22Å; R138-E142 WeakPolarHBondContact CB-OE2 3.14Å; R138-E142 WeakPolarHBondContact CD-OE1 3.47Å; R138-E142 WeakPolarHBondContact CD-OE2 3.35Å; R138-E142 IonicContact CZ-OE1 3.71Å; R138-E142 IonicContact NE-OE1 2.66Å; R138-E142 IonicContact NH1-OE1 3.91Å; R138-E142 PolarHBondContact NH1-OE1 2.82Å; T139-E142 PolarHBondContact N-OE2 2.98Å; T139-E142 PolarHBondContact O-N 3.22Å; T139-E142 WeakPolarHBondContact OG1-CG 3.36Å; T139-E142 PolarHBondContact OG1-N 2.98Å; T139-E142 PolarHBondContact OG1-OE2 3.02Å; A140-E142 VanDerWaalsContact C-N 3.32Å; A140-E142 PolarHBondContact O-N 2.81Å; E142-R146 WeakPolarHBondContact O-CB 3.39Å; E142-R146 PolarHBondContact O-N 3.38Å; E142-F220 HydrophobicContact CB-CE2 4.12Å; E142-F220 HydrophobicContact CB-CZ 4.13Å; E142-F220 WeakPolarHBondContact O-CZ 3.49Å
143	V	86.3	Confident	78	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-72.6	-44.7	175.4	176.5	0	0	0	0	112.1	T139 A140 D141 S145 R146 I147 F202 W210 V219 F220	T139-V143 PolarHBondContact O-N 2.96Å; A140-V143 CarbonylContact O-C 3.45Å; A140-V143 WeakPolarHBondContact O-CA 3.47Å; A140-V143 WeakPolarHBondContact O-CB 3.33Å; A140-V143 PolarHBondContact O-N 3.04Å; D141-V143 VanDerWaalsContact C-N 3.35Å; V143-S145 VanDerWaalsContact C-N 3.28Å; V143-S145 PolarHBondContact O-N 2.79Å; V143-R146 WeakPolarHBondContact O-CA 3.49Å; V143-R146 WeakPolarHBondContact O-CB 3.39Å; V143-R146 PolarHBondContact O-N 2.92Å; V143-I147 HydrophobicContact CG1-CD1 3.88Å; V143-I147 WeakPolarHBondContact O-CG1 3.4Å; V143-I147 PolarHBondContact O-N 3.49Å; V143-F202 HydrophobicContact CB-CD2 4.13Å; V143-F202 HydrophobicContact CB-CE2 3.98Å; V143-F202 HydrophobicContact CG1-CB 4.38Å; V143-F202 HydrophobicContact CG1-CD1 4.32Å; V143-F202 HydrophobicContact CG1-CD2 3.5Å; V143-F202 HydrophobicContact CG1-CE2 3.79Å; V143-F202 HydrophobicContact CG1-CG 3.81Å; V143-F202 HydrophobicContact CG1-CZ 4.32Å; V143-W210 HydrophobicContact CG1-CB 4.49Å; V143-W210 HydrophobicContact CG2-CB 4.25Å; V143-W210 HydrophobicContact CG2-CD2 4.2Å; V143-W210 HydrophobicContact CG2-CG 3.77Å; V143-V219 HydrophobicContact CG1-CG1 4.36Å; V143-V219 HydrophobicContact CG1-CG2 4.22Å; V143-V219 HydrophobicContact CG2-CB 4.47Å; V143-V219 HydrophobicContact CG2-CG1 4.41Å; V143-F220 HydrophobicContact CG2-CD2 4.35Å; V143-F220 HydrophobicContact CG2-CE2 3.97Å
144	I	86.3	Confident	78.9	Confident	4 Å²	4	69.1 Å²	69.1	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-55.9	-46.9	172	-67.3	159	0	0	0	109.5	A140 R146 I147 L148 F174 W179 R196 I199 F202	A140-I144 VanDerWaalsContact O-CG1 3.29Å; A140-I144 WeakPolarHBondContact O-CG1 3.5Å; A140-I144 PolarHBondContact O-N 3.17Å; I144-R146 VanDerWaalsContact C-N 3.32Å; I144-R146 PolarHBondContact O-N 3.08Å; I144-I147 PolarHBondContact O-N 3.08Å; I144-L148 HydrophobicContact CG2-CD1 3.69Å; I144-L148 HydrophobicContact CG2-CG 4.4Å; I144-L148 WeakPolarHBondContact O-CB 3.47Å; I144-L148 WeakPolarHBondContact O-CG 3.48Å; I144-L148 PolarHBondContact O-N 2.73Å; I144-F174 HydrophobicContact CB-CE2 4.5Å; I144-F174 HydrophobicContact CB-CZ 4.49Å; I144-F174 HydrophobicContact CG1-CE2 4.22Å; I144-F174 HydrophobicContact CG2-CE2 4.46Å; I144-F174 HydrophobicContact CG2-CZ 4.09Å; I144-W179 HydrophobicContact CD1-CD2 4.32Å; I144-W179 HydrophobicContact CD1-CE3 3.6Å; I144-W179 HydrophobicContact CD1-CZ3 3.73Å; I144-W179 HydrophobicContact CG1-CD2 4.34Å; I144-W179 HydrophobicContact CG1-CE3 4.07Å; I144-W179 HydrophobicContact CG1-CZ3 4.25Å; I144-W179 HydrophobicContact CG2-CB 3.93Å; I144-W179 HydrophobicContact CG2-CD2 3.88Å; I144-W179 HydrophobicContact CG2-CE3 4.2Å; I144-W179 HydrophobicContact CG2-CG 3.76Å; I144-R196 HydrophobicContact CD1-CG 4.38Å; I144-I199 HydrophobicContact CD1-CD1 3.79Å; I144-F202 HydrophobicContact CD1-CZ 4.16Å; I144-F202 HydrophobicContact CG1-CE1 3.95Å; I144-F202 HydrophobicContact CG1-CZ 3.61Å
145	S	84.6	Confident	79.9	Confident	53 Å²	53	62.3 Å²	62.3	37%	0.371	32%	0.317	S	S	.	.	H	α-helix	trans	-60.8	-39.9	174.8	-59.5	0	0	0	0	112.1	D141 V143 W149	D141-S145 VanDerWaalsContact O-CB 3.27Å; D141-S145 WeakPolarHBondContact O-CB 3.44Å; D141-S145 PolarHBondContact O-N 3Å; D141-S145 PolarHBondContact O-OG 3.13Å; V143-S145 VanDerWaalsContact C-N 3.28Å; V143-S145 PolarHBondContact O-N 2.79Å; S145-W149 WeakPolarHBondContact O-CB 3.46Å; S145-W149 PolarHBondContact O-N 2.77Å
146	R	83.8	Confident	80.5	Confident	76 Å²	76	62.1 Å²	62.1	29%	0.287	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-43.6	176.3	-167.9	83.5	-173	98.2	15.2	111.4	E142 V143 I144 D150 V219 F220 F231	E142-R146 WeakPolarHBondContact O-CB 3.39Å; E142-R146 PolarHBondContact O-N 3.38Å; V143-R146 WeakPolarHBondContact O-CA 3.49Å; V143-R146 WeakPolarHBondContact O-CB 3.39Å; V143-R146 PolarHBondContact O-N 2.92Å; I144-R146 VanDerWaalsContact C-N 3.32Å; I144-R146 PolarHBondContact O-N 3.08Å; R146-D150 VanDerWaalsContact CZ-CG 3.41Å; R146-D150 IonicContact CZ-OD1 3.08Å; R146-D150 IonicContact CZ-OD2 3.67Å; R146-D150 VanDerWaalsContact CZ-OD2 3.32Å; R146-D150 IonicContact NH1-OD1 3.21Å; R146-D150 PolarHBondContact NH1-OD1 3.37Å; R146-D150 IonicContact NH1-OD2 3.04Å; R146-D150 PolarHBondContact NH1-OD2 2.93Å; R146-D150 IonicContact NH2-OD1 3.02Å; R146-D150 PolarHBondContact NH2-OD1 3.43Å; R146-D150 IonicContact NH2-OD2 2.64Å; R146-D150 PolarHBondContact NH2-OD2 3.1Å; R146-D150 WeakPolarHBondContact O-CB 3.49Å; R146-D150 PolarHBondContact O-N 2.98Å; R146-V219 HydrophobicContact CB-CG1 4.02Å; R146-V219 HydrophobicContact CG-CG1 3.73Å; R146-F220 HydrophobicContact CB-CE2 4.22Å; R146-F220 HydrophobicContact CB-CZ 3.84Å; R146-F220 HydrophobicContact CG-CZ 4.19Å; R146-F231 HydrophobicContact CG-CD1 4.18Å; R146-F231 HydrophobicContact CG-CE1 3.46Å; R146-F231 VanDerWaalsContact CG-CE1 3.46Å; R146-F231 HydrophobicContact CG-CZ 3.82Å
147	I	85.1	Confident	81.1	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-71.2	-39.6	-178.3	-62.6	161.2	0	0	0	111.2	V143 I144 V153 A155 F158 F174 F202 F231	V143-I147 HydrophobicContact CG1-CD1 3.88Å; V143-I147 WeakPolarHBondContact O-CG1 3.4Å; V143-I147 PolarHBondContact O-N 3.49Å; I144-I147 PolarHBondContact O-N 3.08Å; I147-V153 HydrophobicContact CG2-CG1 4.37Å; I147-A155 HydrophobicContact CG2-CB 3.95Å; I147-F158 HydrophobicContact CD1-CD1 3.49Å; I147-F158 VanDerWaalsContact CD1-CD1 3.49Å; I147-F158 HydrophobicContact CD1-CE1 3.77Å; I147-F158 HydrophobicContact CD1-CG 4.04Å; I147-F158 HydrophobicContact CG1-CD1 3.97Å; I147-F158 HydrophobicContact CG1-CE1 3.82Å; I147-F158 HydrophobicContact CG1-CG 4.38Å; I147-F158 HydrophobicContact CG1-CZ 4.14Å; I147-F158 HydrophobicContact CG2-CD2 4.02Å; I147-F158 HydrophobicContact CG2-CE2 4.33Å; I147-F158 HydrophobicContact CG2-CG 4.18Å; I147-F174 HydrophobicContact CB-CE1 4.22Å; I147-F174 HydrophobicContact CB-CE2 4.1Å; I147-F174 HydrophobicContact CB-CZ 3.79Å; I147-F174 HydrophobicContact CD1-CD2 4.06Å; I147-F174 HydrophobicContact CD1-CE2 3.73Å; I147-F174 HydrophobicContact CD1-CZ 4.32Å; I147-F174 HydrophobicContact CG2-CD1 3.93Å; I147-F174 HydrophobicContact CG2-CD2 4.33Å; I147-F174 HydrophobicContact CG2-CE1 3.6Å; I147-F174 HydrophobicContact CG2-CE2 4.04Å; I147-F174 HydrophobicContact CG2-CG 4.28Å; I147-F174 HydrophobicContact CG2-CZ 3.67Å; I147-F202 HydrophobicContact CD1-CD1 4.04Å; I147-F231 HydrophobicContact CG1-CZ 4.45Å
148	L	82.1	Confident	81.6	Confident	58 Å²	58	53.3 Å²	53.3	30%	0.304	29%	0.285	S	S	.	.	H	α-helix	trans	-74.7	-31.9	-179.4	-71.9	171.6	0	0	0	114.6	I144 F174 W179	I144-L148 HydrophobicContact CG2-CD1 3.69Å; I144-L148 HydrophobicContact CG2-CG 4.4Å; I144-L148 WeakPolarHBondContact O-CB 3.47Å; I144-L148 WeakPolarHBondContact O-CG 3.48Å; I144-L148 PolarHBondContact O-N 2.73Å; L148-F174 HydrophobicContact CD2-CE1 3.78Å; L148-F174 HydrophobicContact CD2-CZ 4.29Å; L148-F174 HydrophobicContact CG-CE1 4Å; L148-F174 HydrophobicContact CG-CZ 4.01Å; L148-W179 HydrophobicContact CD1-CB 4.16Å; L148-W179 HydrophobicContact CD1-CG 4.37Å
149	W	77.1	Confident	81.9	Confident	134 Å²	134	50.1 Å²	50.1	51%	0.508	28%	0.278	S	S	.	.	H	α-helix	trans	-107.7	1	-168.9	-59.2	119	0	0	0	115.1	S145 Y503	S145-W149 WeakPolarHBondContact O-CB 3.46Å; S145-W149 PolarHBondContact O-N 2.77Å; W149-Y503 HydrophobicContact CZ3-CD2 4.41Å
150	D	78.6	Confident	82.2	Confident	31 Å²	31	47.6 Å²	47.6	17%	0.166	26%	0.263	C	S	.	.			trans	-105.6	119.3	-176.1	-158.9	53.7	0	0	0	112.8	R146 S152 V153	R146-D150 VanDerWaalsContact CZ-CG 3.41Å; R146-D150 IonicContact CZ-OD1 3.08Å; R146-D150 IonicContact CZ-OD2 3.67Å; R146-D150 VanDerWaalsContact CZ-OD2 3.32Å; R146-D150 IonicContact NH1-OD1 3.21Å; R146-D150 PolarHBondContact NH1-OD1 3.37Å; R146-D150 IonicContact NH1-OD2 3.04Å; R146-D150 PolarHBondContact NH1-OD2 2.93Å; R146-D150 IonicContact NH2-OD1 3.02Å; R146-D150 PolarHBondContact NH2-OD1 3.43Å; R146-D150 IonicContact NH2-OD2 2.64Å; R146-D150 PolarHBondContact NH2-OD2 3.1Å; R146-D150 WeakPolarHBondContact O-CB 3.49Å; R146-D150 PolarHBondContact O-N 2.98Å; D150-S152 PolarHBondContact O-N 2.89Å; D150-S152 VanDerWaalsContact O-N 3.14Å; D150-S152 PolarHBondContact OD2-OG 3.07Å; D150-V153 HydrophobicContact CB-CB 4.45Å; D150-V153 HydrophobicContact CB-CG2 3.76Å; D150-V153 PolarHBondContact O-N 3.47Å; D150-V153 WeakPolarHBondContact OD2-CG2 3.43Å
151	T	65.6	Low	82.4	Confident	136 Å²	136	47.3 Å²	47.3	83%	0.834	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-5.2	-171.9	50	0	0	0	0	114.9
152	S	70.8	Confident	82.6	Confident	78 Å²	78	45.5 Å²	45.5	55%	0.545	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	7.9	176.3	27.1	0	0	0	0	113.7	D150	D150-S152 PolarHBondContact O-N 2.89Å; D150-S152 VanDerWaalsContact O-N 3.14Å; D150-S152 PolarHBondContact OD2-OG 3.07Å
153	V	77.9	Confident	82.8	Confident	21 Å²	21	45.4 Å²	45.4	13%	0.127	25%	0.253	C	S	.	.			trans	-129.6	123.3	-166.2	-173.9	0	0	0	0	109.9	I147 D150 F158 P230 F231	I147-V153 HydrophobicContact CG2-CG1 4.37Å; D150-V153 HydrophobicContact CB-CB 4.45Å; D150-V153 HydrophobicContact CB-CG2 3.76Å; D150-V153 PolarHBondContact O-N 3.47Å; D150-V153 WeakPolarHBondContact OD2-CG2 3.43Å; V153-F158 HydrophobicContact CG1-CD2 4.28Å; V153-F158 HydrophobicContact CG1-CE2 3.28Å; V153-F158 HydrophobicContact CG1-CZ 3.64Å; V153-P230 HydrophobicContact CB-CG 4.43Å; V153-P230 HydrophobicContact CG1-CG 4.11Å; V153-P230 HydrophobicContact CG2-CG 3.99Å; V153-F231 HydrophobicContact CG1-CZ 4.14Å; V153-F231 HydrophobicContact CG2-CD1 4.31Å; V153-F231 HydrophobicContact CG2-CE1 3.49Å; V153-F231 VanDerWaalsContact CG2-CE1 3.49Å; V153-F231 HydrophobicContact CG2-CZ 3.82Å
154	D	78.8	Confident	82.7	Confident	81 Å²	81	47.3 Å²	47.3	43%	0.433	26%	0.263	S	S	.	.			trans	-88	113.2	166.2	-176.6	5.3	0	0	0	109.6	S156 E157 F158	D154-S156 PolarHBondContact O-N 2.88Å; D154-S156 WeakPolarHBondContact OD1-CB 3.29Å; D154-S156 PolarHBondContact OD1-N 3.07Å; D154-S156 PolarHBondContact OD1-OG 3.15Å; D154-E157 HydrophobicContact CB-CG 4.17Å; D154-E157 PolarHBondContact O-N 2.91Å; D154-F158 VanDerWaalsContact O-CD2 3.25Å; D154-F158 WeakPolarHBondContact O-CD2 3.49Å; D154-F158 WeakPolarHBondContact O-CE2 3.48Å
155	A	81.3	Confident	82.4	Confident	23 Å²	23	55.7 Å²	55.7	19%	0.19	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-60.9	-23.9	176.2	0	0	0	0	0	112.9	I147 E157 F158 F174	I147-A155 HydrophobicContact CG2-CB 3.95Å; A155-E157 PolarHBondContact O-N 2.85Å; A155-F158 PolarHBondContact O-N 2.85Å; A155-F174 HydrophobicContact CB-CD1 3.94Å; A155-F174 HydrophobicContact CB-CE1 4.28Å
156	S	81.8	Confident	81.8	Confident	80 Å²	80	61.2 Å²	61.2	56%	0.559	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-65.6	-23.7	179.8	-40.8	0	0	0	0	113.2	D154 F158	D154-S156 PolarHBondContact O-N 2.88Å; D154-S156 WeakPolarHBondContact OD1-CB 3.29Å; D154-S156 PolarHBondContact OD1-N 3.07Å; D154-S156 PolarHBondContact OD1-OG 3.15Å; S156-F158 VanDerWaalsContact C-N 3.33Å
157	E	84.3	Confident	81.5	Confident	57 Å²	57	63.7 Å²	63.7	27%	0.266	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-87.8	-0.5	-179.6	-58.2	-165.3	112.3	0	0	113.5	D154 A155 Y204 R205	D154-E157 HydrophobicContact CB-CG 4.17Å; D154-E157 PolarHBondContact O-N 2.91Å; A155-E157 PolarHBondContact O-N 2.85Å; E157-Y204 HydrophobicContact CB-CD2 3.79Å; E157-Y204 HydrophobicContact CB-CE2 3.43Å; E157-Y204 VanDerWaalsContact CB-CE2 3.43Å; E157-Y204 HydrophobicContact CG-CE2 4.24Å; E157-Y204 WeakPolarHBondContact OE2-CE2 3.41Å; E157-Y204 VanDerWaalsContact OE2-CZ 3.25Å; E157-Y204 PolarHBondContact OE2-OH 2.83Å; E157-R205 HydrophobicContact CB-CG 4.42Å; E157-R205 VanDerWaalsContact CD-NH2 3.32Å; E157-R205 PolarHBondContact O-N 3.08Å; E157-R205 VanDerWaalsContact O-N 3.12Å; E157-R205 IonicContact OE1-CZ 3.82Å; E157-R205 IonicContact OE1-NE 3.17Å; E157-R205 PolarHBondContact OE1-NE 2.94Å; E157-R205 IonicContact OE1-NH2 2.72Å; E157-R205 PolarHBondContact OE1-NH2 3.26Å; E157-R205 IonicContact OE2-CZ 2.95Å; E157-R205 IonicContact OE2-NE 3.58Å; E157-R205 PolarHBondContact OE2-NE 3.39Å; E157-R205 IonicContact OE2-NH2 3.47Å; E157-R205 PolarHBondContact OE2-NH2 3.12Å; E157-R205 VanDerWaalsContact OE2-NH2 3.07Å
158	F	88.1	Confident	81.4	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	141	179.6	-71.6	-101	0	0	0	112.1	I147 V153 D154 A155 S156 F174 A203 Y204 V209 P230 F231	I147-F158 HydrophobicContact CD1-CD1 3.49Å; I147-F158 VanDerWaalsContact CD1-CD1 3.49Å; I147-F158 HydrophobicContact CD1-CE1 3.77Å; I147-F158 HydrophobicContact CD1-CG 4.04Å; I147-F158 HydrophobicContact CG1-CD1 3.97Å; I147-F158 HydrophobicContact CG1-CE1 3.82Å; I147-F158 HydrophobicContact CG1-CG 4.38Å; I147-F158 HydrophobicContact CG1-CZ 4.14Å; I147-F158 HydrophobicContact CG2-CD2 4.02Å; I147-F158 HydrophobicContact CG2-CE2 4.33Å; I147-F158 HydrophobicContact CG2-CG 4.18Å; V153-F158 HydrophobicContact CG1-CD2 4.28Å; V153-F158 HydrophobicContact CG1-CE2 3.28Å; V153-F158 HydrophobicContact CG1-CZ 3.64Å; D154-F158 VanDerWaalsContact O-CD2 3.25Å; D154-F158 WeakPolarHBondContact O-CD2 3.49Å; D154-F158 WeakPolarHBondContact O-CE2 3.48Å; A155-F158 PolarHBondContact O-N 2.85Å; S156-F158 VanDerWaalsContact C-N 3.33Å; F158-F174 HydrophobicContact CB-CB 3.66Å; F158-F174 HydrophobicContact CB-CD2 4.43Å; F158-F174 HydrophobicContact CB-CG 4.18Å; F158-F174 WeakPolarHBondContact O-CB 3.43Å; F158-F174 PolarHBondContact O-N 3.27Å; F158-A203 CarbonylContact C-O 3.48Å; F158-A203 VanDerWaalsContact CA-O 3.3Å; F158-A203 WeakPolarHBondContact CA-O 3.48Å; F158-Y204 HydrophobicContact CD1-CD2 4.4Å; F158-Y204 AromaticContact CD2-CD2 3.81Å; F158-Y204 HydrophobicContact CD2-CD2 3.81Å; F158-Y204 HydrophobicContact CD2-CE2 4.42Å; F158-Y204 HydrophobicContact CE1-CD2 4.04Å; F158-Y204 HydrophobicContact CE1-CG 4.3Å; F158-Y204 AromaticContact CE2-CD2 3.34Å; F158-Y204 HydrophobicContact CE2-CD2 3.34Å; F158-Y204 AromaticContact CE2-CE2 3.79Å; F158-Y204 HydrophobicContact CE2-CE2 3.79Å; F158-Y204 HydrophobicContact CE2-CG 4.34Å; F158-Y204 HydrophobicContact CG-CD2 4.3Å; F158-Y204 AromaticContact CZ-CD2 3.49Å; F158-Y204 HydrophobicContact CZ-CD2 3.49Å; F158-Y204 VanDerWaalsContact CZ-CD2 3.49Å; F158-Y204 HydrophobicContact CZ-CE2 4.18Å; F158-Y204 HydrophobicContact CZ-CG 4.06Å; F158-V209 HydrophobicContact CE1-CG2 4.18Å; F158-P230 HydrophobicContact CZ-CG 4.25Å; F158-F231 HydrophobicContact CE1-CE2 4.11Å; F158-F231 AromaticContact CZ-CE2 3.87Å; F158-F231 HydrophobicContact CZ-CE2 3.87Å; F158-F231 HydrophobicContact CZ-CZ 4.17Å
159	V	89.4	Confident	81.6	Confident	43 Å²	43	65.5 Å²	65.5	26%	0.261	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.1	174.3	174.5	0	0	0	0	108.4	E171 R172 F202 A203	V159-E171 HydrophobicContact CG1-CB 3.72Å; V159-E171 HydrophobicContact CG1-CG 4.08Å; V159-R172 CarbonylContact C-O 3.56Å; V159-R172 WeakPolarHBondContact CA-O 3.33Å; V159-F202 WeakPolarHBondContact O-CA 3.35Å; V159-A203 HydrophobicContact CB-CB 4.45Å; V159-A203 PolarHBondContact N-O 3.37Å; V159-A203 PolarHBondContact O-N 2.91Å
160	V	91.1	Very high	82.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.4	176.9	-170.7	0	0	0	0	109.5	E171 R172 F174 F177 W179 I199 F202	V160-E171 WeakPolarHBondContact O-CA 3.5Å; V160-R172 PolarHBondContact N-O 3.45Å; V160-R172 PolarHBondContact O-N 2.92Å; V160-F174 HydrophobicContact CG2-CB 4.2Å; V160-F174 HydrophobicContact CG2-CD2 3.73Å; V160-F174 HydrophobicContact CG2-CG 4.4Å; V160-F177 HydrophobicContact CB-CD2 4.48Å; V160-F177 HydrophobicContact CB-CE2 4.01Å; V160-F177 HydrophobicContact CG2-CD2 4.31Å; V160-F177 HydrophobicContact CG2-CE2 4.29Å; V160-W179 HydrophobicContact CG1-CH2 4.21Å; V160-W179 HydrophobicContact CG2-CH2 3.92Å; V160-W179 HydrophobicContact CG2-CZ2 3.8Å; V160-I199 HydrophobicContact CG1-CG1 4.36Å; V160-I199 HydrophobicContact CG1-CG2 3.74Å; V160-F202 HydrophobicContact CG1-CD1 4.39Å; V160-F202 HydrophobicContact CG1-CE1 4.08Å; V160-F202 HydrophobicContact CG2-CD1 3.8Å; V160-F202 HydrophobicContact CG2-CE1 3.73Å
161	G	90.5	Very high	82.6	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	116	167	0	0	0	0	0	110.1	L170 Q200 Y201	G161-L170 WeakPolarHBondContact CA-O 3.39Å; G161-Q200 WeakPolarHBondContact O-CA 3.37Å; G161-Q200 WeakPolarHBondContact O-CB 3.27Å; G161-Q200 PolarHBondContact O-N 2.85Å; G161-Y201 PolarHBondContact N-O 3.44Å; G161-Y201 PolarHBondContact O-N 2.94Å
162	Y	88.6	Confident	83.5	Confident	18 Å²	18	64.3 Å²	64.3	7%	0.071	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.5	-179.2	72.7	-82.4	0	0	0	111.9	D164 V169 L170 R172 F177 L194 R198	Y162-D164 HydrophobicContact CE2-CB 4.15Å; Y162-V169 CarbonylContact O-C 3.45Å; Y162-V169 WeakPolarHBondContact O-CA 3.19Å; Y162-L170 HydrophobicContact CD1-CB 4.28Å; Y162-L170 VanDerWaalsContact CD1-O 3.32Å; Y162-L170 WeakPolarHBondContact CD1-O 3.4Å; Y162-L170 HydrophobicContact CE1-CB 3.7Å; Y162-L170 HydrophobicContact CE2-CB 4.33Å; Y162-L170 HydrophobicContact CE2-CD1 4.37Å; Y162-L170 PolarHBondContact N-O 3.49Å; Y162-L170 PolarHBondContact O-N 2.96Å; Y162-L170 WeakPolarHBondContact OH-CD1 3.3Å; Y162-R172 HydrophobicContact CE1-CB 4.32Å; Y162-R172 HydrophobicContact CE1-CG 3.95Å; Y162-F177 AromaticContact CD1-CZ 3.96Å; Y162-F177 HydrophobicContact CD1-CZ 3.96Å; Y162-F177 HydrophobicContact CE1-CE1 4.3Å; Y162-F177 AromaticContact CE1-CZ 3.69Å; Y162-F177 HydrophobicContact CE1-CZ 3.69Å; Y162-L194 HydrophobicContact CD1-CD1 3.64Å; Y162-L194 HydrophobicContact CD2-CD1 3.93Å; Y162-L194 HydrophobicContact CD2-CD2 3.48Å; Y162-L194 VanDerWaalsContact CD2-CD2 3.48Å; Y162-L194 HydrophobicContact CD2-CG 4.39Å; Y162-L194 HydrophobicContact CE1-CD1 4.2Å; Y162-L194 HydrophobicContact CE2-CD1 4.45Å; Y162-L194 HydrophobicContact CE2-CD2 3.61Å; Y162-L194 HydrophobicContact CG-CD1 3.47Å; Y162-L194 VanDerWaalsContact CG-CD1 3.47Å; Y162-L194 HydrophobicContact CG-CD2 3.96Å; Y162-L194 HydrophobicContact CG-CG 4.4Å; Y162-R198 WeakPolarHBondContact CA-O 3.3Å
163	V	86.3	Confident	84.2	Confident	57 Å²	57	63.4 Å²	63.4	35%	0.345	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	109.4	176.2	-173	0	0	0	0	109.3	G168 V169 R198	V163-G168 CarbonylContact C-O 3.59Å; V163-V169 HydrophobicContact CG2-CG2 4.41Å; V163-R198 PolarHBondContact N-O 2.8Å; V163-R198 VanDerWaalsContact O-CD 3.28Å; V163-R198 WeakPolarHBondContact O-CD 3.49Å
164	D	85.7	Confident	84.6	Confident	39 Å²	39	62.5 Å²	62.5	21%	0.209	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	156.1	163.5	179.4	-112.1	0	0	0	111.6	Y162 F166 L167 G168 L170	Y162-D164 HydrophobicContact CE2-CB 4.15Å; D164-F166 VanDerWaalsContact C-N 3.34Å; D164-F166 PolarHBondContact O-N 3.23Å; D164-F166 PolarHBondContact OD1-N 2.84Å; D164-L167 HydrophobicContact CB-CB 4.36Å; D164-L167 PolarHBondContact OD1-N 3.28Å; D164-G168 PolarHBondContact N-O 3.05Å; D164-L170 HydrophobicContact CB-CD1 3.96Å; D164-L170 HydrophobicContact CB-CG 4.38Å
165	R	78.7	Confident	84.7	Confident	180 Å²	180	62.4 Å²	62.4	68%	0.679	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-30.3	179.4	177	-179.9	-79.2	163.8	-6.9	113.1
166	F	72.8	Confident	84.6	Confident	169 Å²	169	64.5 Å²	64.5	74%	0.741	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	-36.1	-170.1	-53.9	-73.9	0	0	0	112.9	D164	D164-F166 VanDerWaalsContact C-N 3.34Å; D164-F166 PolarHBondContact O-N 3.23Å; D164-F166 PolarHBondContact OD1-N 2.84Å
167	L	77.2	Confident	84.4	Confident	128 Å²	128	61.3 Å²	61.3	67%	0.67	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-0.3	-174.6	-60	176.3	0	0	0	113.9	D164 L170	D164-L167 HydrophobicContact CB-CB 4.36Å; D164-L167 PolarHBondContact OD1-N 3.28Å; L167-L170 HydrophobicContact CB-CD1 4.04Å; L167-L170 HydrophobicContact CB-CD2 4.08Å; L167-L170 HydrophobicContact CB-CG 4.18Å; L167-L170 HydrophobicContact CD1-CD1 4.07Å
168	G	83.3	Confident	83.8	Confident	32 Å²	32	60.7 Å²	60.7	33%	0.33	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	74.6	-139.7	179.8	0	0	0	0	0	112.4	V163 D164 L170	V163-G168 CarbonylContact C-O 3.59Å; D164-G168 PolarHBondContact N-O 3.05Å; G168-L170 PolarHBondContact O-N 3.49Å
169	V	86.1	Confident	83.1	Confident	69 Å²	69	61.4 Å²	61.4	42%	0.418	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	115.4	-178.7	-177.5	0	0	0	0	109.8	Y162 V163 Y201	Y162-V169 CarbonylContact O-C 3.45Å; Y162-V169 WeakPolarHBondContact O-CA 3.19Å; V163-V169 HydrophobicContact CG2-CG2 4.41Å; V169-Y201 HydrophobicContact CG1-CE1 3.82Å
170	L	86.4	Confident	81.7	Confident	51 Å²	51	63 Å²	63	27%	0.267	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	143.8	173.7	-65.6	-179.4	0	0	0	110.7	G161 Y162 D164 L167 G168	G161-L170 WeakPolarHBondContact CA-O 3.39Å; Y162-L170 HydrophobicContact CD1-CB 4.28Å; Y162-L170 VanDerWaalsContact CD1-O 3.32Å; Y162-L170 WeakPolarHBondContact CD1-O 3.4Å; Y162-L170 HydrophobicContact CE1-CB 3.7Å; Y162-L170 HydrophobicContact CE2-CB 4.33Å; Y162-L170 HydrophobicContact CE2-CD1 4.37Å; Y162-L170 PolarHBondContact N-O 3.49Å; Y162-L170 PolarHBondContact O-N 2.96Å; Y162-L170 WeakPolarHBondContact OH-CD1 3.3Å; D164-L170 HydrophobicContact CB-CD1 3.96Å; D164-L170 HydrophobicContact CB-CG 4.38Å; L167-L170 HydrophobicContact CB-CD1 4.04Å; L167-L170 HydrophobicContact CB-CD2 4.08Å; L167-L170 HydrophobicContact CB-CG 4.18Å; L167-L170 HydrophobicContact CD1-CD1 4.07Å; G168-L170 PolarHBondContact O-N 3.49Å
171	E	89.9	Confident	80.4	Confident	110 Å²	110	64.1 Å²	64.1	51%	0.514	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.6	170.8	-74.4	-172.1	155.6	0	0	110.1	V159 V160 Y201	V159-E171 HydrophobicContact CG1-CB 3.72Å; V159-E171 HydrophobicContact CG1-CG 4.08Å; V160-E171 WeakPolarHBondContact O-CA 3.5Å; E171-Y201 HydrophobicContact CG-CE2 4.22Å; E171-Y201 VanDerWaalsContact CG-OH 3.31Å; E171-Y201 WeakPolarHBondContact CG-OH 3.39Å; E171-Y201 VanDerWaalsContact OE1-CE2 3.3Å; E171-Y201 WeakPolarHBondContact OE1-CE2 3.46Å; E171-Y201 PolarHBondContact OE1-OH 3.26Å; E171-Y201 VanDerWaalsContact OE1-OH 3.07Å
172	R	85.6	Confident	78.9	Confident	115 Å²	115	68.3 Å²	68.3	43%	0.434	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	151.5	176.6	-79	-61.3	-172.1	135.4	-6.1	111.6	V159 V160 Y162 D176 F177	V159-R172 CarbonylContact C-O 3.56Å; V159-R172 WeakPolarHBondContact CA-O 3.33Å; V160-R172 PolarHBondContact N-O 3.45Å; V160-R172 PolarHBondContact O-N 2.92Å; Y162-R172 HydrophobicContact CE1-CB 4.32Å; Y162-R172 HydrophobicContact CE1-CG 3.95Å; R172-D176 IonicContact CZ-OD2 3.9Å; R172-D176 IonicContact NH1-OD2 2.9Å; R172-D176 PolarHBondContact NH1-OD2 3.36Å; R172-F177 HydrophobicContact CB-CE2 3.47Å; R172-F177 VanDerWaalsContact CB-CE2 3.47Å; R172-F177 HydrophobicContact CB-CZ 3.4Å; R172-F177 HydrophobicContact CG-CE2 4.45Å; R172-F177 HydrophobicContact CG-CZ 3.91Å
173	P	85.5	Confident	77.5	Confident	58 Å²	58	68.6 Å²	68.6	38%	0.377	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	143.1	170.6	-23.5	33	0	0	0	112	C175 D176 F177	P173-C175 PolarHBondContact O-N 3.34Å; P173-D176 WeakPolarHBondContact O-CB 3.35Å; P173-D176 PolarHBondContact O-N 2.76Å; P173-D176 VanDerWaalsContact O-N 3.13Å; P173-F177 WeakPolarHBondContact O-CD2 3.35Å; P173-F177 WeakPolarHBondContact O-CE2 2.9Å
174	F	84.5	Confident	75.9	Confident	2 Å²	2	71.2 Å²	71.2	1%	0.009	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-62.4	-25.9	177.6	-177.6	-85.6	0	0	0	112.8	I144 I147 L148 A155 F158 V160 W179 F202	I144-F174 HydrophobicContact CB-CE2 4.5Å; I144-F174 HydrophobicContact CB-CZ 4.49Å; I144-F174 HydrophobicContact CG1-CE2 4.22Å; I144-F174 HydrophobicContact CG2-CE2 4.46Å; I144-F174 HydrophobicContact CG2-CZ 4.09Å; I147-F174 HydrophobicContact CB-CE1 4.22Å; I147-F174 HydrophobicContact CB-CE2 4.1Å; I147-F174 HydrophobicContact CB-CZ 3.79Å; I147-F174 HydrophobicContact CD1-CD2 4.06Å; I147-F174 HydrophobicContact CD1-CE2 3.73Å; I147-F174 HydrophobicContact CD1-CZ 4.32Å; I147-F174 HydrophobicContact CG2-CD1 3.93Å; I147-F174 HydrophobicContact CG2-CD2 4.33Å; I147-F174 HydrophobicContact CG2-CE1 3.6Å; I147-F174 HydrophobicContact CG2-CE2 4.04Å; I147-F174 HydrophobicContact CG2-CG 4.28Å; I147-F174 HydrophobicContact CG2-CZ 3.67Å; L148-F174 HydrophobicContact CD2-CE1 3.78Å; L148-F174 HydrophobicContact CD2-CZ 4.29Å; L148-F174 HydrophobicContact CG-CE1 4Å; L148-F174 HydrophobicContact CG-CZ 4.01Å; A155-F174 HydrophobicContact CB-CD1 3.94Å; A155-F174 HydrophobicContact CB-CE1 4.28Å; F158-F174 HydrophobicContact CB-CB 3.66Å; F158-F174 HydrophobicContact CB-CD2 4.43Å; F158-F174 HydrophobicContact CB-CG 4.18Å; F158-F174 WeakPolarHBondContact O-CB 3.43Å; F158-F174 PolarHBondContact O-N 3.27Å; V160-F174 HydrophobicContact CG2-CB 4.2Å; V160-F174 HydrophobicContact CG2-CD2 3.73Å; V160-F174 HydrophobicContact CG2-CG 4.4Å; F174-W179 AromaticContact CD1-NE1 3.69Å; F174-W179 AromaticContact CD2-CZ2 3.75Å; F174-W179 HydrophobicContact CD2-CZ2 3.75Å; F174-W179 AromaticContact CE1-CD1 3.9Å; F174-W179 AromaticContact CE1-NE1 3.42Å; F174-W179 AromaticContact CE2-CE2 3.78Å; F174-W179 AromaticContact CE2-CZ2 3.84Å; F174-W179 HydrophobicContact CE2-CZ2 3.84Å; F174-W179 AromaticContact CE2-NE1 3.78Å; F174-W179 HydrophobicContact CG-CZ2 4.26Å; F174-W179 AromaticContact CG-NE1 3.99Å; F174-W179 AromaticContact CZ-CD1 3.94Å; F174-W179 AromaticContact CZ-CE2 3.9Å; F174-W179 HydrophobicContact CZ-CZ2 4.42Å; F174-W179 AromaticContact CZ-NE1 3.47Å; F174-W179 PolarHBondContact O-NE1 2.85Å; F174-F202 HydrophobicContact CD2-CD1 4.23Å; F174-F202 HydrophobicContact CD2-CE1 4.08Å; F174-F202 HydrophobicContact CE2-CD1 4.4Å; F174-F202 AromaticContact CE2-CE1 3.95Å; F174-F202 HydrophobicContact CE2-CE1 3.95Å
175	C	81.3	Confident	74.4	Confident	79 Å²	79	73.7 Å²	73.7	53%	0.534	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-79.8	-12.4	177.3	-58.5	0	0	0	0	114.5	P173 F177	P173-C175 PolarHBondContact O-N 3.34Å; C175-F177 PolarHBondContact O-N 3.49Å
176	D	79.9	Confident	73	Confident	67 Å²	67	65.8 Å²	65.8	36%	0.358	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-70.9	-10	174	-78.6	25.3	0	0	0	112	R172 P173	R172-D176 IonicContact CZ-OD2 3.9Å; R172-D176 IonicContact NH1-OD2 2.9Å; R172-D176 PolarHBondContact NH1-OD2 3.36Å; P173-D176 WeakPolarHBondContact O-CB 3.35Å; P173-D176 PolarHBondContact O-N 2.76Å; P173-D176 VanDerWaalsContact O-N 3.13Å
177	F	77.3	Confident	72	Confident	14 Å²	14	61.4 Å²	61.4	6%	0.061	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-113.6	136.1	-166.5	-64.8	-62.4	0	0	0	114.3	V160 Y162 R172 P173 C175 W179 L192 L194	V160-F177 HydrophobicContact CB-CD2 4.48Å; V160-F177 HydrophobicContact CB-CE2 4.01Å; V160-F177 HydrophobicContact CG2-CD2 4.31Å; V160-F177 HydrophobicContact CG2-CE2 4.29Å; Y162-F177 AromaticContact CD1-CZ 3.96Å; Y162-F177 HydrophobicContact CD1-CZ 3.96Å; Y162-F177 HydrophobicContact CE1-CE1 4.3Å; Y162-F177 AromaticContact CE1-CZ 3.69Å; Y162-F177 HydrophobicContact CE1-CZ 3.69Å; R172-F177 HydrophobicContact CB-CE2 3.47Å; R172-F177 VanDerWaalsContact CB-CE2 3.47Å; R172-F177 HydrophobicContact CB-CZ 3.4Å; R172-F177 HydrophobicContact CG-CE2 4.45Å; R172-F177 HydrophobicContact CG-CZ 3.91Å; P173-F177 WeakPolarHBondContact O-CD2 3.35Å; P173-F177 WeakPolarHBondContact O-CE2 2.9Å; C175-F177 PolarHBondContact O-N 3.49Å; F177-W179 HydrophobicContact CB-CD2 4.15Å; F177-W179 HydrophobicContact CB-CH2 3.94Å; F177-W179 HydrophobicContact CB-CZ2 3.46Å; F177-W179 VanDerWaalsContact CB-CZ2 3.46Å; F177-W179 HydrophobicContact CB-CZ3 4.46Å; F177-W179 AromaticContact CD2-CH2 3.9Å; F177-W179 HydrophobicContact CD2-CH2 3.9Å; F177-W179 AromaticContact CD2-CZ2 3.59Å; F177-W179 HydrophobicContact CD2-CZ2 3.59Å; F177-W179 HydrophobicContact CG-CH2 4Å; F177-W179 AromaticContact CG-CZ2 3.8Å; F177-W179 HydrophobicContact CG-CZ2 3.8Å; F177-W179 PolarHBondContact O-N 2.95Å; F177-L192 WeakPolarHBondContact CA-O 3.38Å; F177-L192 HydrophobicContact CD1-CB 3.88Å; F177-L192 HydrophobicContact CE1-CB 4.08Å; F177-L192 HydrophobicContact CE1-CD2 4.04Å; F177-L194 HydrophobicContact CD1-CD1 3.7Å; F177-L194 HydrophobicContact CD1-CG 3.61Å; F177-L194 HydrophobicContact CD2-CD1 4.38Å; F177-L194 HydrophobicContact CE1-CD1 3.25Å; F177-L194 HydrophobicContact CE1-CD2 4.09Å; F177-L194 HydrophobicContact CE1-CG 3.4Å; F177-L194 VanDerWaalsContact CE1-CG 3.4Å; F177-L194 HydrophobicContact CE2-CD1 3.97Å; F177-L194 HydrophobicContact CG-CD1 4.24Å; F177-L194 HydrophobicContact CG-CG 4.46Å; F177-L194 HydrophobicContact CZ-CD1 3.38Å; F177-L194 HydrophobicContact CZ-CG 4.08Å
178	N	71.9	Confident	70.8	Confident	43 Å²	43	63.4 Å²	63.4	23%	0.23	34%	0.342	C	S	.	.			trans	-89.6	103.6	168.8	-167.4	-16.1	0	0	0	110.3	D180 T181 E191 L192	N178-D180 PolarHBondContact OD1-N 3.45Å; N178-T181 PolarHBondContact ND2-OG1 3.41Å; N178-T181 PolarHBondContact OD1-N 2.89Å; N178-E191 PolarHBondContact ND2-OE2 3.44Å; N178-L192 PolarHBondContact N-O 3.41Å
179	W	73.6	Confident	69.1	Low	15 Å²	15	67.8 Å²	67.8	6%	0.057	36%	0.362	C	S	.	.	S	Bend	trans	-79.8	-14.8	-174	-62.8	110.8	0	0	0	115.3	I144 L148 V160 F174 F177 L194 R196 I199	I144-W179 HydrophobicContact CD1-CD2 4.32Å; I144-W179 HydrophobicContact CD1-CE3 3.6Å; I144-W179 HydrophobicContact CD1-CZ3 3.73Å; I144-W179 HydrophobicContact CG1-CD2 4.34Å; I144-W179 HydrophobicContact CG1-CE3 4.07Å; I144-W179 HydrophobicContact CG1-CZ3 4.25Å; I144-W179 HydrophobicContact CG2-CB 3.93Å; I144-W179 HydrophobicContact CG2-CD2 3.88Å; I144-W179 HydrophobicContact CG2-CE3 4.2Å; I144-W179 HydrophobicContact CG2-CG 3.76Å; L148-W179 HydrophobicContact CD1-CB 4.16Å; L148-W179 HydrophobicContact CD1-CG 4.37Å; V160-W179 HydrophobicContact CG1-CH2 4.21Å; V160-W179 HydrophobicContact CG2-CH2 3.92Å; V160-W179 HydrophobicContact CG2-CZ2 3.8Å; F174-W179 AromaticContact CD1-NE1 3.69Å; F174-W179 AromaticContact CD2-CZ2 3.75Å; F174-W179 HydrophobicContact CD2-CZ2 3.75Å; F174-W179 AromaticContact CE1-CD1 3.9Å; F174-W179 AromaticContact CE1-NE1 3.42Å; F174-W179 AromaticContact CE2-CE2 3.78Å; F174-W179 AromaticContact CE2-CZ2 3.84Å; F174-W179 HydrophobicContact CE2-CZ2 3.84Å; F174-W179 AromaticContact CE2-NE1 3.78Å; F174-W179 HydrophobicContact CG-CZ2 4.26Å; F174-W179 AromaticContact CG-NE1 3.99Å; F174-W179 AromaticContact CZ-CD1 3.94Å; F174-W179 AromaticContact CZ-CE2 3.9Å; F174-W179 HydrophobicContact CZ-CZ2 4.42Å; F174-W179 AromaticContact CZ-NE1 3.47Å; F174-W179 PolarHBondContact O-NE1 2.85Å; F177-W179 HydrophobicContact CB-CD2 4.15Å; F177-W179 HydrophobicContact CB-CH2 3.94Å; F177-W179 HydrophobicContact CB-CZ2 3.46Å; F177-W179 VanDerWaalsContact CB-CZ2 3.46Å; F177-W179 HydrophobicContact CB-CZ3 4.46Å; F177-W179 AromaticContact CD2-CH2 3.9Å; F177-W179 HydrophobicContact CD2-CH2 3.9Å; F177-W179 AromaticContact CD2-CZ2 3.59Å; F177-W179 HydrophobicContact CD2-CZ2 3.59Å; F177-W179 HydrophobicContact CG-CH2 4Å; F177-W179 AromaticContact CG-CZ2 3.8Å; F177-W179 HydrophobicContact CG-CZ2 3.8Å; F177-W179 PolarHBondContact O-N 2.95Å; W179-L194 HydrophobicContact CZ3-CB 4.43Å; W179-R196 PolarHBondContact O-NH2 3.22Å; W179-I199 HydrophobicContact CH2-CD1 4.19Å; W179-I199 HydrophobicContact CZ3-CD1 3.71Å
180	D	60.3	Low	67.5	Low	77 Å²	77	69.5 Å²	69.5	41%	0.412	37%	0.373	S	S	.	.	S	Bend	trans	-109.8	-5	-175.3	-63.2	-47.2	0	0	0	113.4	N178 N504 R506	N178-D180 PolarHBondContact OD1-N 3.45Å; D180-N504 PolarHBondContact OD2-ND2 3.27Å; D180-R506 PolarHBondContact O-NH1 3.27Å
181	T	63.1	Low	66.1	Low	24 Å²	24	69 Å²	69	15%	0.147	37%	0.37	C	S	.	.	S	Bend	trans	-90.3	138.2	168.5	-75.5	0	0	0	0	109.9	N178 D185 C186 E191 A193	N178-T181 PolarHBondContact ND2-OG1 3.41Å; N178-T181 PolarHBondContact OD1-N 2.89Å; T181-D185 HydrophobicContact CG2-CB 4.09Å; T181-C186 HydrophobicContact CG2-CB 4.42Å; T181-E191 PolarHBondContact OG1-OE2 2.9Å; T181-A193 HydrophobicContact CG2-CB 3.89Å
182	N	59.6	Low	64.8	Low	87 Å²	87	66.9 Å²	66.9	47%	0.465	36%	0.361	S	S	.	.			trans	-71.2	133.2	173.1	-174.1	-3.9	0	0	0	109.3	C184 D185	N182-C184 PolarHBondContact O-N 3.1Å; N182-C184 PolarHBondContact OD1-N 3.48Å; N182-D185 HydrophobicContact CB-CB 4.48Å; N182-D185 WeakPolarHBondContact O-CB 3.37Å; N182-D185 PolarHBondContact O-N 3.39Å
183	P	58.8	Low	63.8	Low	25 Å²	25	61.7 Å²	61.7	16%	0.162	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-9.8	174.3	-27.6	34.9	0	0	0	116.6	C186 Y188 A193 P195	P183-C186 PolarHBondContact O-SG 3.15Å; P183-C186 VanDerWaalsContact O-SG 3.34Å; P183-Y188 PolarHBondContact O-OH 2.88Å; P183-A193 WeakPolarHBondContact CB-O 3.38Å; P183-A193 HydrophobicContact CG-CB 4.3Å; P183-A193 WeakPolarHBondContact CG-O 3.22Å; P183-P195 HydrophobicContact CB-CB 4.49Å; P183-P195 HydrophobicContact CB-CG 3.69Å; P183-P195 HydrophobicContact CG-CB 4.15Å; P183-P195 HydrophobicContact CG-CG 3.81Å; P183-P195 VanDerWaalsContact CG-N 3.28Å
184	C	51.6	Low	63.1	Low	111 Å²	111	59.9 Å²	59.9	75%	0.75	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-19.2	169.1	-59	0	0	0	0	113.2	N182	N182-C184 PolarHBondContact O-N 3.1Å; N182-C184 PolarHBondContact OD1-N 3.48Å
185	D	54.4	Low	62.7	Low	92 Å²	92	60.8 Å²	60.8	49%	0.492	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-11.7	-175.5	-61.7	-18.7	0	0	0	113.6	T181 N182	T181-D185 HydrophobicContact CG2-CB 4.09Å; N182-D185 HydrophobicContact CB-CB 4.48Å; N182-D185 WeakPolarHBondContact O-CB 3.37Å; N182-D185 PolarHBondContact O-N 3.39Å
186	C	49.9	Very low	62.7	Low	13 Å²	13	62 Å²	62	9%	0.088	33%	0.33	C	S	.	.			trans	-79.8	144.5	-173.8	63	0	0	0	0	112.7	T181 P183 Y188 E191 A193	T181-C186 HydrophobicContact CG2-CB 4.42Å; P183-C186 PolarHBondContact O-SG 3.15Å; P183-C186 VanDerWaalsContact O-SG 3.34Å; C186-Y188 VanDerWaalsContact C-N 3.33Å; C186-Y188 WeakPolarHBondContact O-CD2 3.24Å; C186-Y188 PolarHBondContact O-N 2.9Å; C186-E191 HydrophobicContact CB-CB 4.49Å; C186-E191 WeakPolarHBondContact CB-O 3.24Å; C186-A193 HydrophobicContact CB-CB 3.9Å
187	D	51.1	Low	62.4	Low	77 Å²	77	64.8 Å²	64.8	41%	0.412	34%	0.341	S	S	.	.			trans	-82.4	-7.6	-176.7	69.5	-12.1	0	0	0	114.2	T189 T190 E191	D187-T189 PolarHBondContact O-N 2.79Å; D187-T189 PolarHBondContact OD1-N 2.97Å; D187-T189 PolarHBondContact OD2-OG1 2.76Å; D187-T190 WeakPolarHBondContact OD1-CA 3.24Å; D187-T190 PolarHBondContact OD1-N 3.19Å; D187-T190 WeakPolarHBondContact OD2-CB 3.35Å; D187-T190 PolarHBondContact OD2-N 3.38Å; D187-T190 PolarHBondContact OD2-OG1 3.42Å; D187-E191 PolarHBondContact OD1-N 2.8Å
188	Y	51.9	Low	62.7	Low	171 Å²	171	67.5 Å²	67.5	67%	0.671	35%	0.35	S	S	*	.	S	Bend	trans	60.2	-13.4	-173	-64.4	-98	0	0	0	115.5	P183 C186	P183-Y188 PolarHBondContact O-OH 2.88Å; C186-Y188 VanDerWaalsContact C-N 3.33Å; C186-Y188 WeakPolarHBondContact O-CD2 3.24Å; C186-Y188 PolarHBondContact O-N 2.9Å
189	T	49.2	Very low	63.4	Low	123 Å²	123	65.5 Å²	65.5	76%	0.755	34%	0.34	S	S	*	.	S	Bend	trans	-92.8	-26	177.5	45.8	0	0	0	0	114.1	D187	D187-T189 PolarHBondContact O-N 2.79Å; D187-T189 PolarHBondContact OD1-N 2.97Å; D187-T189 PolarHBondContact OD2-OG1 2.76Å
190	T	51.7	Low	64.1	Low	105 Å²	105	66.6 Å²	66.6	64%	0.644	35%	0.345	S	S	*	.	S	Bend	trans	-130.6	-35.9	-173.5	-34.1	0	0	0	0	112.7	D187	D187-T190 WeakPolarHBondContact OD1-CA 3.24Å; D187-T190 PolarHBondContact OD1-N 3.19Å; D187-T190 WeakPolarHBondContact OD2-CB 3.35Å; D187-T190 PolarHBondContact OD2-N 3.38Å; D187-T190 PolarHBondContact OD2-OG1 3.42Å
191	E	56.7	Low	65.5	Low	41 Å²	41	63.3 Å²	63.3	19%	0.192	33%	0.327	C	S	.	.			trans	-120.5	122.2	-178.8	-65	-174.6	-141	0	0	111.8	N178 T181 C186 D187 Q478	N178-E191 PolarHBondContact ND2-OE2 3.44Å; T181-E191 PolarHBondContact OG1-OE2 2.9Å; C186-E191 HydrophobicContact CB-CB 4.49Å; C186-E191 WeakPolarHBondContact CB-O 3.24Å; D187-E191 PolarHBondContact OD1-N 2.8Å; E191-Q478 PolarHBondContact OE1-NE2 2.9Å
192	L	62.2	Low	66.8	Low	65 Å²	65	62.1 Å²	62.1	34%	0.34	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-91.3	102.3	166.5	-88.8	67.6	0	0	0	109.4	F177 N178	F177-L192 WeakPolarHBondContact CA-O 3.38Å; F177-L192 HydrophobicContact CD1-CB 3.88Å; F177-L192 HydrophobicContact CE1-CB 4.08Å; F177-L192 HydrophobicContact CE1-CD2 4.04Å; N178-L192 PolarHBondContact N-O 3.41Å
193	A	66.2	Low	68.1	Low	7 Å²	7	58.2 Å²	58.2	6%	0.058	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-101.3	117.3	168.7	0	0	0	0	0	109.6	T181 P183 C186	T181-A193 HydrophobicContact CG2-CB 3.89Å; P183-A193 WeakPolarHBondContact CB-O 3.38Å; P183-A193 HydrophobicContact CG-CB 4.3Å; P183-A193 WeakPolarHBondContact CG-O 3.22Å; C186-A193 HydrophobicContact CB-CB 3.9Å
194	L	70.7	Confident	69.5	Low	19 Å²	19	57.9 Å²	57.9	10%	0.099	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-93.4	132.7	-177.1	-77.4	-176	0	0	0	113.4	Y162 F177 W179 R196	Y162-L194 HydrophobicContact CD1-CD1 3.64Å; Y162-L194 HydrophobicContact CD2-CD1 3.93Å; Y162-L194 HydrophobicContact CD2-CD2 3.48Å; Y162-L194 VanDerWaalsContact CD2-CD2 3.48Å; Y162-L194 HydrophobicContact CD2-CG 4.39Å; Y162-L194 HydrophobicContact CE1-CD1 4.2Å; Y162-L194 HydrophobicContact CE2-CD1 4.45Å; Y162-L194 HydrophobicContact CE2-CD2 3.61Å; Y162-L194 HydrophobicContact CG-CD1 3.47Å; Y162-L194 VanDerWaalsContact CG-CD1 3.47Å; Y162-L194 HydrophobicContact CG-CD2 3.96Å; Y162-L194 HydrophobicContact CG-CG 4.4Å; F177-L194 HydrophobicContact CD1-CD1 3.7Å; F177-L194 HydrophobicContact CD1-CG 3.61Å; F177-L194 HydrophobicContact CD2-CD1 4.38Å; F177-L194 HydrophobicContact CE1-CD1 3.25Å; F177-L194 HydrophobicContact CE1-CD2 4.09Å; F177-L194 HydrophobicContact CE1-CG 3.4Å; F177-L194 VanDerWaalsContact CE1-CG 3.4Å; F177-L194 HydrophobicContact CE2-CD1 3.97Å; F177-L194 HydrophobicContact CG-CD1 4.24Å; F177-L194 HydrophobicContact CG-CG 4.46Å; F177-L194 HydrophobicContact CZ-CD1 3.38Å; F177-L194 HydrophobicContact CZ-CG 4.08Å; W179-L194 HydrophobicContact CZ3-CB 4.43Å; L194-R196 PolarHBondContact O-N 2.75Å; L194-R196 VanDerWaalsContact O-N 3.13Å
195	P	76.4	Confident	70.9	Confident	21 Å²	21	59.7 Å²	59.7	14%	0.136	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-63	118.7	168.5	-16.5	28.2	0	0	0	110.1	P183 H197 R198	P183-P195 HydrophobicContact CB-CB 4.49Å; P183-P195 HydrophobicContact CB-CG 3.69Å; P183-P195 HydrophobicContact CG-CB 4.15Å; P183-P195 HydrophobicContact CG-CG 3.81Å; P183-P195 VanDerWaalsContact CG-N 3.28Å; P195-H197 WeakPolarHBondContact CB-CE1 3.14Å; P195-H197 PolarHBondContact O-N 3.46Å; P195-R198 HydrophobicContact CB-CG 4.16Å; P195-R198 HydrophobicContact CG-CG 4.38Å; P195-R198 WeakPolarHBondContact O-CB 3.32Å; P195-R198 PolarHBondContact O-N 2.86Å
196	R	79.5	Confident	72.1	Confident	104 Å²	104	58.6 Å²	58.6	39%	0.392	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-52.9	-26	-179.1	-65.8	156.6	176.9	-149.9	4.5	113	D141 I144 W179 L194	D141-R196 WeakPolarHBondContact OD2-CD 3.33Å; D141-R196 IonicContact OD2-CZ 3.06Å; D141-R196 IonicContact OD2-NE 3.71Å; D141-R196 IonicContact OD2-NH1 3.67Å; D141-R196 PolarHBondContact OD2-NH1 3.13Å; I144-R196 HydrophobicContact CD1-CG 4.38Å; W179-R196 PolarHBondContact O-NH2 3.22Å; L194-R196 PolarHBondContact O-N 2.75Å; L194-R196 VanDerWaalsContact O-N 3.13Å
197	H	75.5	Confident	73.6	Confident	127 Å²	127	64.2 Å²	64.2	59%	0.588	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-73.2	-17.1	174.3	69.2	-111.3	0	0	0	115.3	P195 R212	P195-H197 WeakPolarHBondContact CB-CE1 3.14Å; P195-H197 PolarHBondContact O-N 3.46Å; H197-R212 PolarHBondContact O-NH1 3.1Å
198	R	81.6	Confident	75.3	Confident	70 Å²	70	65.7 Å²	65.7	26%	0.264	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-92	-11.8	176.5	-61.7	-171.3	-169	178.5	6.4	113.4	Y162 V163 P195 Q200	Y162-R198 WeakPolarHBondContact CA-O 3.3Å; V163-R198 PolarHBondContact N-O 2.8Å; V163-R198 VanDerWaalsContact O-CD 3.28Å; V163-R198 WeakPolarHBondContact O-CD 3.49Å; P195-R198 HydrophobicContact CB-CG 4.16Å; P195-R198 HydrophobicContact CG-CG 4.38Å; P195-R198 WeakPolarHBondContact O-CB 3.32Å; P195-R198 PolarHBondContact O-N 2.86Å; R198-Q200 PolarHBondContact O-N 3.44Å
199	I	87.6	Confident	77	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	127.6	176.8	-56.2	172.7	0	0	0	108.8	A140 I144 V160 W179 F202	A140-I199 HydrophobicContact CB-CB 4.3Å; A140-I199 HydrophobicContact CB-CD1 4.14Å; A140-I199 HydrophobicContact CB-CG2 4.38Å; I144-I199 HydrophobicContact CD1-CD1 3.79Å; V160-I199 HydrophobicContact CG1-CG1 4.36Å; V160-I199 HydrophobicContact CG1-CG2 3.74Å; W179-I199 HydrophobicContact CH2-CD1 4.19Å; W179-I199 HydrophobicContact CZ3-CD1 3.71Å; I199-F202 HydrophobicContact CD1-CZ 4.16Å; I199-F202 HydrophobicContact CG2-CD2 4.44Å; I199-F202 HydrophobicContact CG2-CE1 4.44Å; I199-F202 HydrophobicContact CG2-CE2 3.73Å; I199-F202 HydrophobicContact CG2-CZ 3.72Å
200	Q	87.3	Confident	79	Confident	37 Å²	37	52 Å²	52	17%	0.173	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-45.3	-177	-160.4	-178.1	34.5	0	0	111.4	G161 R198 R212 H213	G161-Q200 WeakPolarHBondContact O-CA 3.37Å; G161-Q200 WeakPolarHBondContact O-CB 3.27Å; G161-Q200 PolarHBondContact O-N 2.85Å; R198-Q200 PolarHBondContact O-N 3.44Å; Q200-R212 WeakPolarHBondContact O-CB 3.44Å; Q200-R212 PolarHBondContact O-N 3.15Å; Q200-H213 VanDerWaalsContact CG-ND1 3.35Å; Q200-H213 WeakPolarHBondContact CG-ND1 3.38Å
201	Y	90.3	Very high	80.7	Confident	8 Å²	8	47.4 Å²	47.4	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	160.1	179.5	55	-86	0	0	0	112.5	G161 V169 E171 R208 W210	G161-Y201 PolarHBondContact N-O 3.44Å; G161-Y201 PolarHBondContact O-N 2.94Å; V169-Y201 HydrophobicContact CG1-CE1 3.82Å; E171-Y201 HydrophobicContact CG-CE2 4.22Å; E171-Y201 VanDerWaalsContact CG-OH 3.31Å; E171-Y201 WeakPolarHBondContact CG-OH 3.39Å; E171-Y201 VanDerWaalsContact OE1-CE2 3.3Å; E171-Y201 WeakPolarHBondContact OE1-CE2 3.46Å; E171-Y201 PolarHBondContact OE1-OH 3.26Å; E171-Y201 VanDerWaalsContact OE1-OH 3.07Å; Y201-R208 VanDerWaalsContact CD1-NH1 3.32Å; Y201-R208 HydrophobicContact CD2-CG 4.16Å; Y201-R208 VanDerWaalsContact CE1-NH2 3.26Å; Y201-R208 PolarHBondContact OH-NH2 2.83Å; Y201-W210 CarbonylContact C-O 3.5Å; Y201-W210 WeakPolarHBondContact CA-O 3.23Å; Y201-W210 WeakPolarHBondContact CB-O 3.43Å
202	F	89.9	Confident	82.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.8	164.6	-62.7	-90.1	0	0	0	108.4	A140 V143 I144 I147 V159 V160 F174 I199 V209 W210	A140-F202 HydrophobicContact CB-CE2 4Å; A140-F202 HydrophobicContact CB-CZ 4.3Å; V143-F202 HydrophobicContact CB-CD2 4.13Å; V143-F202 HydrophobicContact CB-CE2 3.98Å; V143-F202 HydrophobicContact CG1-CB 4.38Å; V143-F202 HydrophobicContact CG1-CD1 4.32Å; V143-F202 HydrophobicContact CG1-CD2 3.5Å; V143-F202 HydrophobicContact CG1-CE2 3.79Å; V143-F202 HydrophobicContact CG1-CG 3.81Å; V143-F202 HydrophobicContact CG1-CZ 4.32Å; I144-F202 HydrophobicContact CD1-CZ 4.16Å; I144-F202 HydrophobicContact CG1-CE1 3.95Å; I144-F202 HydrophobicContact CG1-CZ 3.61Å; I147-F202 HydrophobicContact CD1-CD1 4.04Å; V159-F202 WeakPolarHBondContact O-CA 3.35Å; V160-F202 HydrophobicContact CG1-CD1 4.39Å; V160-F202 HydrophobicContact CG1-CE1 4.08Å; V160-F202 HydrophobicContact CG2-CD1 3.8Å; V160-F202 HydrophobicContact CG2-CE1 3.73Å; F174-F202 HydrophobicContact CD2-CD1 4.23Å; F174-F202 HydrophobicContact CD2-CE1 4.08Å; F174-F202 HydrophobicContact CE2-CD1 4.4Å; F174-F202 AromaticContact CE2-CE1 3.95Å; F174-F202 HydrophobicContact CE2-CE1 3.95Å; I199-F202 HydrophobicContact CD1-CZ 4.16Å; I199-F202 HydrophobicContact CG2-CD2 4.44Å; I199-F202 HydrophobicContact CG2-CE1 4.44Å; I199-F202 HydrophobicContact CG2-CE2 3.73Å; I199-F202 HydrophobicContact CG2-CZ 3.72Å; F202-V209 HydrophobicContact CB-CG2 4.11Å; F202-V209 WeakPolarHBondContact O-CG2 3.28Å; F202-V209 PolarHBondContact O-N 3.13Å; F202-W210 HydrophobicContact CB-CB 4.49Å; F202-W210 HydrophobicContact CD2-CB 4.24Å; F202-W210 HydrophobicContact CD2-CD2 4.13Å; F202-W210 AromaticContact CD2-CE3 3.6Å; F202-W210 HydrophobicContact CD2-CE3 3.6Å; F202-W210 HydrophobicContact CD2-CG 4.45Å; F202-W210 HydrophobicContact CD2-CZ3 4.24Å; F202-W210 HydrophobicContact CE2-CD2 4.49Å; F202-W210 AromaticContact CE2-CE3 3.9Å; F202-W210 HydrophobicContact CE2-CE3 3.9Å; F202-W210 HydrophobicContact CE2-CZ3 4.12Å; F202-W210 PolarHBondContact N-O 2.98Å; F202-W210 PolarHBondContact O-N 3.48Å
203	A	88.8	Confident	83	Confident	4 Å²	4	54.6 Å²	54.6	3%	0.033	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	146.9	170.8	0	0	0	0	0	110.3	F158 V159 H207	F158-A203 CarbonylContact C-O 3.48Å; F158-A203 VanDerWaalsContact CA-O 3.3Å; F158-A203 WeakPolarHBondContact CA-O 3.48Å; V159-A203 HydrophobicContact CB-CB 4.45Å; V159-A203 PolarHBondContact N-O 3.37Å; V159-A203 PolarHBondContact O-N 2.91Å; A203-H207 CarbonylContact C-O 3.56Å; A203-H207 WeakPolarHBondContact CA-O 3.45Å
204	Y	86.9	Confident	83.7	Confident	18 Å²	18	57.7 Å²	57.7	7%	0.071	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.5	173.7	173	-105.3	0	0	0	107.9	E157 F158 G206 H207 P229 P230	E157-Y204 HydrophobicContact CB-CD2 3.79Å; E157-Y204 HydrophobicContact CB-CE2 3.43Å; E157-Y204 VanDerWaalsContact CB-CE2 3.43Å; E157-Y204 HydrophobicContact CG-CE2 4.24Å; E157-Y204 WeakPolarHBondContact OE2-CE2 3.41Å; E157-Y204 VanDerWaalsContact OE2-CZ 3.25Å; E157-Y204 PolarHBondContact OE2-OH 2.83Å; F158-Y204 HydrophobicContact CD1-CD2 4.4Å; F158-Y204 AromaticContact CD2-CD2 3.81Å; F158-Y204 HydrophobicContact CD2-CD2 3.81Å; F158-Y204 HydrophobicContact CD2-CE2 4.42Å; F158-Y204 HydrophobicContact CE1-CD2 4.04Å; F158-Y204 HydrophobicContact CE1-CG 4.3Å; F158-Y204 AromaticContact CE2-CD2 3.34Å; F158-Y204 HydrophobicContact CE2-CD2 3.34Å; F158-Y204 AromaticContact CE2-CE2 3.79Å; F158-Y204 HydrophobicContact CE2-CE2 3.79Å; F158-Y204 HydrophobicContact CE2-CG 4.34Å; F158-Y204 HydrophobicContact CG-CD2 4.3Å; F158-Y204 AromaticContact CZ-CD2 3.49Å; F158-Y204 HydrophobicContact CZ-CD2 3.49Å; F158-Y204 VanDerWaalsContact CZ-CD2 3.49Å; F158-Y204 HydrophobicContact CZ-CE2 4.18Å; F158-Y204 HydrophobicContact CZ-CG 4.06Å; Y204-G206 PolarHBondContact O-N 3.03Å; Y204-G206 VanDerWaalsContact O-N 3.07Å; Y204-H207 PolarHBondContact N-O 3.01Å; Y204-H207 PolarHBondContact O-N 3.06Å; Y204-P229 WeakPolarHBondContact CD1-O 3.38Å; Y204-P229 HydrophobicContact CE1-CB 4.44Å; Y204-P229 WeakPolarHBondContact CE1-O 3.17Å; Y204-P230 HydrophobicContact CE2-CG 4.27Å
205	R	81.7	Confident	84.2	Confident	150 Å²	150	61.2 Å²	61.2	57%	0.566	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	37.3	-174.9	-62.3	-177.8	173.5	160.5	5.3	113.6	E157 H207	E157-R205 HydrophobicContact CB-CG 4.42Å; E157-R205 VanDerWaalsContact CD-NH2 3.32Å; E157-R205 PolarHBondContact O-N 3.08Å; E157-R205 VanDerWaalsContact O-N 3.12Å; E157-R205 IonicContact OE1-CZ 3.82Å; E157-R205 IonicContact OE1-NE 3.17Å; E157-R205 PolarHBondContact OE1-NE 2.94Å; E157-R205 IonicContact OE1-NH2 2.72Å; E157-R205 PolarHBondContact OE1-NH2 3.26Å; E157-R205 IonicContact OE2-CZ 2.95Å; E157-R205 IonicContact OE2-NE 3.58Å; E157-R205 PolarHBondContact OE2-NE 3.39Å; E157-R205 IonicContact OE2-NH2 3.47Å; E157-R205 PolarHBondContact OE2-NH2 3.12Å; E157-R205 VanDerWaalsContact OE2-NH2 3.07Å; R205-H207 PolarHBondContact O-N 2.9Å
206	G	79.5	Confident	84.5	Confident	69 Å²	69	61.2 Å²	61.2	71%	0.711	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-9	-177.7	0	0	0	0	0	116.3	Y204	Y204-G206 PolarHBondContact O-N 3.03Å; Y204-G206 VanDerWaalsContact O-N 3.07Å
207	H	81.9	Confident	84.8	Confident	131 Å²	131	56.2 Å²	56.2	61%	0.606	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.1	177.5	-60.8	-73.2	0	0	0	111.6	A203 Y204 R205 V209	A203-H207 CarbonylContact C-O 3.56Å; A203-H207 WeakPolarHBondContact CA-O 3.45Å; Y204-H207 PolarHBondContact N-O 3.01Å; Y204-H207 PolarHBondContact O-N 3.06Å; R205-H207 PolarHBondContact O-N 2.9Å; H207-V209 PolarHBondContact O-N 2.97Å; H207-V209 VanDerWaalsContact O-N 3.15Å
208	R	86.3	Confident	85	Confident	108 Å²	108	55.2 Å²	55.2	41%	0.408	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	111.4	176.3	-67.1	-172.5	179.8	-152.6	-2.7	111.2	Y201 D211	Y201-R208 VanDerWaalsContact CD1-NH1 3.32Å; Y201-R208 HydrophobicContact CD2-CG 4.16Å; Y201-R208 VanDerWaalsContact CE1-NH2 3.26Å; Y201-R208 PolarHBondContact OH-NH2 2.83Å; R208-D211 IonicContact CZ-OD2 3.29Å; R208-D211 IonicContact NH1-OD2 3.43Å; R208-D211 PolarHBondContact NH1-OD2 2.86Å
209	V	87.6	Confident	84.8	Confident	1 Å²	1	52 Å²	52	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-27.5	179.8	-64.4	0	0	0	0	112.6	F158 F202 H207 R218 V219 A228	F158-V209 HydrophobicContact CE1-CG2 4.18Å; F202-V209 HydrophobicContact CB-CG2 4.11Å; F202-V209 WeakPolarHBondContact O-CG2 3.28Å; F202-V209 PolarHBondContact O-N 3.13Å; H207-V209 PolarHBondContact O-N 2.97Å; H207-V209 VanDerWaalsContact O-N 3.15Å; V209-R218 WeakPolarHBondContact O-CA 3.36Å; V209-R218 WeakPolarHBondContact O-CB 3.49Å; V209-R218 PolarHBondContact O-N 2.62Å; V209-V219 HydrophobicContact CB-CG2 3.91Å; V209-V219 HydrophobicContact CG2-CG2 3.79Å; V209-A228 HydrophobicContact CG1-CB 3.78Å
210	W	89.9	Confident	84.2	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.015	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	134.5	171.4	-178.5	99.2	0	0	0	109.4	M137 R138 A140 V143 Y201 F202 R212 T216 V219	M137-W210 HydrophobicContact CE-CZ2 4.04Å; R138-W210 WeakPolarHBondContact O-CZ2 3.41Å; R138-W210 PolarHBondContact O-NE1 2.9Å; R138-W210 VanDerWaalsContact O-NE1 3.08Å; A140-W210 HydrophobicContact CB-CH2 3.88Å; A140-W210 HydrophobicContact CB-CZ2 4.44Å; A140-W210 HydrophobicContact CB-CZ3 4.28Å; V143-W210 HydrophobicContact CG1-CB 4.49Å; V143-W210 HydrophobicContact CG2-CB 4.25Å; V143-W210 HydrophobicContact CG2-CD2 4.2Å; V143-W210 HydrophobicContact CG2-CG 3.77Å; Y201-W210 CarbonylContact C-O 3.5Å; Y201-W210 WeakPolarHBondContact CA-O 3.23Å; Y201-W210 WeakPolarHBondContact CB-O 3.43Å; F202-W210 HydrophobicContact CB-CB 4.49Å; F202-W210 HydrophobicContact CD2-CB 4.24Å; F202-W210 HydrophobicContact CD2-CD2 4.13Å; F202-W210 AromaticContact CD2-CE3 3.6Å; F202-W210 HydrophobicContact CD2-CE3 3.6Å; F202-W210 HydrophobicContact CD2-CG 4.45Å; F202-W210 HydrophobicContact CD2-CZ3 4.24Å; F202-W210 HydrophobicContact CE2-CD2 4.49Å; F202-W210 AromaticContact CE2-CE3 3.9Å; F202-W210 HydrophobicContact CE2-CE3 3.9Å; F202-W210 HydrophobicContact CE2-CZ3 4.12Å; F202-W210 PolarHBondContact N-O 2.98Å; F202-W210 PolarHBondContact O-N 3.48Å; W210-R212 HydrophobicContact CH2-CB 3.79Å; W210-R212 HydrophobicContact CH2-CG 4.1Å; W210-R212 HydrophobicContact CZ3-CB 3.91Å; W210-T216 CarbonylContact C-O 3.6Å; W210-T216 VanDerWaalsContact CA-O 3.29Å; W210-T216 WeakPolarHBondContact CA-O 3.18Å; W210-V219 HydrophobicContact CB-CG2 4.16Å
211	D	88.8	Confident	83.7	Confident	9 Å²	9	54.6 Å²	54.6	5%	0.048	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	123.9	179.8	-177.8	-44.2	0	0	0	110.2	R208 H213 S214 R215 T216	R208-D211 IonicContact CZ-OD2 3.29Å; R208-D211 IonicContact NH1-OD2 3.43Å; R208-D211 PolarHBondContact NH1-OD2 2.86Å; D211-H213 VanDerWaalsContact C-N 3.31Å; D211-H213 PolarHBondContact O-N 2.78Å; D211-H213 WeakPolarHBondContact OD1-CA 3.45Å; D211-H213 PolarHBondContact OD1-N 2.74Å; D211-S214 WeakPolarHBondContact CB-OG 3.43Å; D211-S214 PolarHBondContact OD1-N 3Å; D211-S214 VanDerWaalsContact OD1-N 3.07Å; D211-R215 VanDerWaalsContact O-CA 3.3Å; D211-R215 WeakPolarHBondContact O-CA 3.12Å; D211-R215 PolarHBondContact O-N 3.45Å; D211-T216 PolarHBondContact N-O 2.61Å; D211-T216 PolarHBondContact O-N 3.31Å; D211-T216 VanDerWaalsContact O-N 3.1Å
212	R	84.7	Confident	82.8	Confident	124 Å²	124	55.6 Å²	55.6	47%	0.468	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-27.8	-173.4	-164.5	175.4	179.4	-166	-2.6	113.5	H197 Q200 W210	H197-R212 PolarHBondContact O-NH1 3.1Å; Q200-R212 WeakPolarHBondContact O-CB 3.44Å; Q200-R212 PolarHBondContact O-N 3.15Å; W210-R212 HydrophobicContact CH2-CB 3.79Å; W210-R212 HydrophobicContact CH2-CG 4.1Å; W210-R212 HydrophobicContact CZ3-CB 3.91Å
213	H	81.2	Confident	81.8	Confident	133 Å²	133	57.2 Å²	57.2	62%	0.616	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-46	-173.9	-68.9	71.6	0	0	0	111.6	Q200 D211 R215	Q200-H213 VanDerWaalsContact CG-ND1 3.35Å; Q200-H213 WeakPolarHBondContact CG-ND1 3.38Å; D211-H213 VanDerWaalsContact C-N 3.31Å; D211-H213 PolarHBondContact O-N 2.78Å; D211-H213 WeakPolarHBondContact OD1-CA 3.45Å; D211-H213 PolarHBondContact OD1-N 2.74Å; H213-R215 PolarHBondContact O-N 2.79Å
214	S	81.9	Confident	80.5	Confident	73 Å²	73	60.6 Å²	60.6	51%	0.51	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-8.4	173.4	67.9	0	0	0	0	113.2	D211 T216	D211-S214 WeakPolarHBondContact CB-OG 3.43Å; D211-S214 PolarHBondContact OD1-N 3Å; D211-S214 VanDerWaalsContact OD1-N 3.07Å; S214-T216 VanDerWaalsContact C-N 3.25Å; S214-T216 PolarHBondContact O-N 2.98Å; S214-T216 WeakPolarHBondContact OG-CB 3.23Å; S214-T216 PolarHBondContact OG-OG1 2.88Å
215	R	81.1	Confident	79.7	Confident	93 Å²	93	62.8 Å²	62.8	35%	0.351	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	39.7	-171.6	-67.2	178.4	47.5	106.2	7.9	112.8	P135 M137 D211 H213 T223	P135-R215 PolarHBondContact O-NH2 3.14Å; M137-R215 HydrophobicContact CE-CG 4.47Å; M137-R215 VanDerWaalsContact SD-CA 3.51Å; M137-R215 HydrophobicContact SD-CB 3.94Å; M137-R215 HydrophobicContact SD-CG 4.27Å; D211-R215 VanDerWaalsContact O-CA 3.3Å; D211-R215 WeakPolarHBondContact O-CA 3.12Å; D211-R215 PolarHBondContact O-N 3.45Å; H213-R215 PolarHBondContact O-N 2.79Å; R215-T223 HydrophobicContact CB-CG2 4.49Å; R215-T223 WeakPolarHBondContact O-CB 3.09Å; R215-T223 WeakPolarHBondContact O-CG2 3.48Å; R215-T223 PolarHBondContact O-OG1 2.99Å
216	T	83	Confident	79.1	Confident	20 Å²	20	58.6 Å²	58.6	12%	0.123	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	129.8	173.2	-64.4	0	0	0	0	108.8	W210 D211 S214 R218 Q225	W210-T216 CarbonylContact C-O 3.6Å; W210-T216 VanDerWaalsContact CA-O 3.29Å; W210-T216 WeakPolarHBondContact CA-O 3.18Å; D211-T216 PolarHBondContact N-O 2.61Å; D211-T216 PolarHBondContact O-N 3.31Å; D211-T216 VanDerWaalsContact O-N 3.1Å; S214-T216 VanDerWaalsContact C-N 3.25Å; S214-T216 PolarHBondContact O-N 2.98Å; S214-T216 WeakPolarHBondContact OG-CB 3.23Å; S214-T216 PolarHBondContact OG-OG1 2.88Å; T216-R218 HydrophobicContact CG2-CG 3.93Å; T216-Q225 VanDerWaalsContact CA-OE1 3.3Å
217	D	84.3	Confident	78.9	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	81	174.6	-179.5	6.9	0	0	0	109.3	M137 V219 F220 G221 S222 T223	M137-D217 HydrophobicContact CG-CB 4.06Å; M137-D217 HydrophobicContact SD-CB 4.43Å; D217-V219 VanDerWaalsContact C-N 3.32Å; D217-V219 PolarHBondContact OD1-N 3.07Å; D217-F220 PolarHBondContact OD1-N 3.45Å; D217-G221 WeakPolarHBondContact O-CA 3.42Å; D217-G221 PolarHBondContact O-N 2.74Å; D217-S222 WeakPolarHBondContact OD2-CB 3.29Å; D217-S222 PolarHBondContact OD2-N 2.94Å; D217-S222 PolarHBondContact OD2-OG 2.74Å; D217-T223 HydrophobicContact CB-CG2 4.22Å; D217-T223 PolarHBondContact N-OG1 3.08Å
218	R	80.1	Confident	78.4	Confident	105 Å²	105	52.9 Å²	52.9	40%	0.396	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	8.8	173.7	-53.5	-175.7	177.2	-166.5	-4.1	112.3	V209 T216 Q225 S226 L227 A228	V209-R218 WeakPolarHBondContact O-CA 3.36Å; V209-R218 WeakPolarHBondContact O-CB 3.49Å; V209-R218 PolarHBondContact O-N 2.62Å; T216-R218 HydrophobicContact CG2-CG 3.93Å; R218-Q225 HydrophobicContact CG-CB 4.31Å; R218-S226 WeakPolarHBondContact CB-O 3.38Å; R218-S226 WeakPolarHBondContact CG-O 3.48Å; R218-L227 WeakPolarHBondContact O-CA 3.46Å; R218-A228 HydrophobicContact CB-CB 3.73Å; R218-A228 PolarHBondContact O-N 3.23Å
219	V	78.4	Confident	77.5	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.024	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-36.6	176.2	179	0	0	0	0	110.5	V143 R146 V209 W210 D217 F231	V143-V219 HydrophobicContact CG1-CG1 4.36Å; V143-V219 HydrophobicContact CG1-CG2 4.22Å; V143-V219 HydrophobicContact CG2-CB 4.47Å; V143-V219 HydrophobicContact CG2-CG1 4.41Å; R146-V219 HydrophobicContact CB-CG1 4.02Å; R146-V219 HydrophobicContact CG-CG1 3.73Å; V209-V219 HydrophobicContact CB-CG2 3.91Å; V209-V219 HydrophobicContact CG2-CG2 3.79Å; W210-V219 HydrophobicContact CB-CG2 4.16Å; D217-V219 VanDerWaalsContact C-N 3.32Å; D217-V219 PolarHBondContact OD1-N 3.07Å; V219-F231 HydrophobicContact CB-CD2 4.35Å; V219-F231 HydrophobicContact CB-CE2 4.43Å; V219-F231 HydrophobicContact CG1-CD2 4.09Å; V219-F231 HydrophobicContact CG1-CE2 3.88Å; V219-F231 HydrophobicContact CG1-CZ 4.12Å; V219-F231 HydrophobicContact CG2-CD2 4.25Å; V219-F231 HydrophobicContact CG2-CE2 4.13Å
220	F	74.4	Confident	76.3	Confident	71 Å²	71	51.6 Å²	51.6	31%	0.311	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-10.2	176.6	-65.2	-86.7	0	0	0	114.2	R138 E142 V143 R146 D217 S222	R138-F220 HydrophobicContact CB-CD2 3.82Å; R138-F220 HydrophobicContact CB-CE2 4.15Å; R138-F220 HydrophobicContact CB-CG 4.44Å; R138-F220 HydrophobicContact CG-CB 3.96Å; R138-F220 HydrophobicContact CG-CD1 4.45Å; R138-F220 HydrophobicContact CG-CD2 3.7Å; R138-F220 HydrophobicContact CG-CE2 4.24Å; R138-F220 HydrophobicContact CG-CG 3.81Å; E142-F220 HydrophobicContact CB-CE2 4.12Å; E142-F220 HydrophobicContact CB-CZ 4.13Å; E142-F220 WeakPolarHBondContact O-CZ 3.49Å; V143-F220 HydrophobicContact CG2-CD2 4.35Å; V143-F220 HydrophobicContact CG2-CE2 3.97Å; R146-F220 HydrophobicContact CB-CE2 4.22Å; R146-F220 HydrophobicContact CB-CZ 3.84Å; R146-F220 HydrophobicContact CG-CZ 4.19Å; D217-F220 PolarHBondContact OD1-N 3.45Å; F220-S222 VanDerWaalsContact CB-OG 3.31Å; F220-S222 WeakPolarHBondContact CB-OG 3.25Å; F220-S222 PolarHBondContact O-N 3.05Å
221	G	76.1	Confident	75.2	Confident	21 Å²	21	52.6 Å²	52.6	22%	0.216	29%	0.29	C	S	.	.			trans	73.2	8.1	-178.2	0	0	0	0	0	113.8	D217 T223 G224	D217-G221 WeakPolarHBondContact O-CA 3.42Å; D217-G221 PolarHBondContact O-N 2.74Å; G221-T223 PolarHBondContact O-N 3.41Å; G221-G224 PolarHBondContact O-N 3.05Å
222	S	73.2	Confident	73.8	Confident	29 Å²	29	53.2 Å²	53.2	20%	0.203	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-12.9	-166.9	-33.6	0	0	0	0	114.3	P135 R138 D217 F220	P135-S222 WeakPolarHBondContact CB-O 3.3Å; R138-S222 WeakPolarHBondContact CG-OG 3.47Å; D217-S222 WeakPolarHBondContact OD2-CB 3.29Å; D217-S222 PolarHBondContact OD2-N 2.94Å; D217-S222 PolarHBondContact OD2-OG 2.74Å; F220-S222 VanDerWaalsContact CB-OG 3.31Å; F220-S222 WeakPolarHBondContact CB-OG 3.25Å; F220-S222 PolarHBondContact O-N 3.05Å
223	T	68.6	Low	72	Confident	35 Å²	35	56.5 Å²	56.5	22%	0.215	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	11.7	174.3	59.7	0	0	0	0	113.6	M137 R215 D217 G221	M137-T223 HydrophobicContact CB-CG2 3.86Å; M137-T223 HydrophobicContact CG-CG2 3.79Å; M137-T223 HydrophobicContact SD-CG2 3.91Å; R215-T223 HydrophobicContact CB-CG2 4.49Å; R215-T223 WeakPolarHBondContact O-CB 3.09Å; R215-T223 WeakPolarHBondContact O-CG2 3.48Å; R215-T223 PolarHBondContact O-OG1 2.99Å; D217-T223 HydrophobicContact CB-CG2 4.22Å; D217-T223 PolarHBondContact N-OG1 3.08Å; G221-T223 PolarHBondContact O-N 3.41Å
224	G	60.4	Low	70.2	Confident	75 Å²	75	57.6 Å²	57.6	77%	0.773	32%	0.321	S	S	*	.	S	Bend	trans	87	20	175.9	0	0	0	0	0	114.5	G221	G221-G224 PolarHBondContact O-N 3.05Å
225	Q	70.3	Confident	68.4	Low	64 Å²	64	60.8 Å²	60.8	30%	0.299	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-100.7	152.6	-177.7	-62.4	178.5	-15.1	0	0	111	T216 R218	T216-Q225 VanDerWaalsContact CA-OE1 3.3Å; R218-Q225 HydrophobicContact CG-CB 4.31Å
226	S	69.7	Low	66.2	Low	62 Å²	62	64.7 Å²	64.7	43%	0.434	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-62.9	145.4	170.5	48.2	0	0	0	0	110.8	R218 E235	R218-S226 WeakPolarHBondContact CB-O 3.38Å; R218-S226 WeakPolarHBondContact CG-O 3.48Å; S226-E235 VanDerWaalsContact CB-OE2 3.28Å; S226-E235 WeakPolarHBondContact CB-OE2 2.88Å; S226-E235 PolarHBondContact OG-OE2 3.36Å
227	L	75.1	Confident	63.9	Low	67 Å²	67	70 Å²	70	35%	0.351	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-70.2	132.1	176.2	-63.9	176.4	0	0	0	109.1	R218 F231 G232	R218-L227 WeakPolarHBondContact O-CA 3.46Å; L227-F231 HydrophobicContact CB-CB 4.4Å; L227-F231 WeakPolarHBondContact CD1-O 3.27Å; L227-G232 WeakPolarHBondContact O-CA 3.39Å
228	A	72.1	Confident	61.3	Low	12 Å²	12	79 Å²	79	10%	0.099	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-81.4	150.8	174.9	0	0	0	0	0	109.7	V209 R218 F231 G232	V209-A228 HydrophobicContact CG1-CB 3.78Å; R218-A228 HydrophobicContact CB-CB 3.73Å; R218-A228 PolarHBondContact O-N 3.23Å; A228-F231 CarbonylContact O-C 3.58Å; A228-F231 WeakPolarHBondContact O-CA 3.41Å; A228-F231 WeakPolarHBondContact O-CB 3.49Å; A228-F231 PolarHBondContact O-N 3.2Å; A228-G232 PolarHBondContact O-N 3.37Å
229	P	66.2	Low	59.4	Low	45 Å²	45	81.6 Å²	81.6	29%	0.292	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	139.2	162.7	-25.8	35.6	0	0	0	110.3	Y204 E234	Y204-P229 WeakPolarHBondContact CD1-O 3.38Å; Y204-P229 HydrophobicContact CE1-CB 4.44Å; Y204-P229 WeakPolarHBondContact CE1-O 3.17Å; P229-E234 HydrophobicContact CG-CG 3.88Å
230	P	61.9	Low	57	Low	37 Å²	37	84 Å²	84	24%	0.24	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	cis	-85.5	1.1	4.6	35.8	-35.7	0	0	0	114.7	V153 F158 Y204	V153-P230 HydrophobicContact CB-CG 4.43Å; V153-P230 HydrophobicContact CG1-CG 4.11Å; V153-P230 HydrophobicContact CG2-CG 3.99Å; F158-P230 HydrophobicContact CZ-CG 4.25Å; Y204-P230 HydrophobicContact CE2-CG 4.27Å
231	F	67	Low	54.8	Low	25 Å²	25	86.1 Å²	86.1	11%	0.11	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-20.2	-174.5	-58.1	-67.2	0	0	0	114.5	R146 I147 V153 F158 V219 L227 A228	R146-F231 HydrophobicContact CG-CD1 4.18Å; R146-F231 HydrophobicContact CG-CE1 3.46Å; R146-F231 VanDerWaalsContact CG-CE1 3.46Å; R146-F231 HydrophobicContact CG-CZ 3.82Å; I147-F231 HydrophobicContact CG1-CZ 4.45Å; V153-F231 HydrophobicContact CG1-CZ 4.14Å; V153-F231 HydrophobicContact CG2-CD1 4.31Å; V153-F231 HydrophobicContact CG2-CE1 3.49Å; V153-F231 VanDerWaalsContact CG2-CE1 3.49Å; V153-F231 HydrophobicContact CG2-CZ 3.82Å; F158-F231 HydrophobicContact CE1-CE2 4.11Å; F158-F231 AromaticContact CZ-CE2 3.87Å; F158-F231 HydrophobicContact CZ-CE2 3.87Å; F158-F231 HydrophobicContact CZ-CZ 4.17Å; V219-F231 HydrophobicContact CB-CD2 4.35Å; V219-F231 HydrophobicContact CB-CE2 4.43Å; V219-F231 HydrophobicContact CG1-CD2 4.09Å; V219-F231 HydrophobicContact CG1-CE2 3.88Å; V219-F231 HydrophobicContact CG1-CZ 4.12Å; V219-F231 HydrophobicContact CG2-CD2 4.25Å; V219-F231 HydrophobicContact CG2-CE2 4.13Å; L227-F231 HydrophobicContact CB-CB 4.4Å; L227-F231 WeakPolarHBondContact CD1-O 3.27Å; A228-F231 CarbonylContact O-C 3.58Å; A228-F231 WeakPolarHBondContact O-CA 3.41Å; A228-F231 WeakPolarHBondContact O-CB 3.49Å; A228-F231 PolarHBondContact O-N 3.2Å
232	G	60.8	Low	52.7	Low	22 Å²	22	94.7 Å²	94.7	23%	0.227	52%	0.519	C	S	.	.	S	Bend	trans	-119.8	170.6	175.5	0	0	0	0	0	112.8	L227 A228	L227-G232 WeakPolarHBondContact O-CA 3.39Å; A228-G232 PolarHBondContact O-N 3.37Å
233	K	45.6	Very low	50.7	Low	193 Å²	193	99.6 Å²	99.6	84%	0.839	55%	0.547	S	S	*	.			trans	-66.1	148.9	166	-65.3	-175	178.9	-175.9	0	109.2	E235	K233-E235 PolarHBondContact O-N 3.31Å
234	E	44.2	Very low	48.8	Very low	157 Å²	157	105.7 Å²	105.7	73%	0.734	57%	0.571	S	S	*	*			trans	-65.7	103.2	174.6	-64.2	176.4	156.6	0	0	109.9	P229 E236	P229-E234 HydrophobicContact CG-CG 3.88Å; E234-E236 PolarHBondContact O-N 2.8Å
235	E	43.1	Very low	47.2	Very low	139 Å²	139	108.7 Å²	108.7	65%	0.65	57%	0.569	S	S	*	*			trans	-72.8	110	156.6	-70.7	-169.6	103.3	0	0	107	S226 K233 V237	S226-E235 VanDerWaalsContact CB-OE2 3.28Å; S226-E235 WeakPolarHBondContact CB-OE2 2.88Å; S226-E235 PolarHBondContact OG-OE2 3.36Å; K233-E235 PolarHBondContact O-N 3.31Å; E235-V237 PolarHBondContact O-N 3.39Å; E235-V237 VanDerWaalsContact O-N 3.1Å
236	E	34.8	Very low	45.4	Very low	175 Å²	175	111.8 Å²	111.8	82%	0.818	60%	0.595	S	S	*	*			trans	-53	118.2	171.4	-68.8	-176.1	140.8	0	0	109.3	E234 K238	E234-E236 PolarHBondContact O-N 2.8Å; E236-K238 VanDerWaalsContact C-N 3.33Å; E236-K238 PolarHBondContact O-N 2.81Å
237	V	35.7	Very low	43.5	Very low	132 Å²	132	116.5 Å²	116.5	80%	0.8	61%	0.61	S	S	*	*			trans	-69.7	95.4	173.3	179.6	0	0	0	0	108	E235 D239	E235-V237 PolarHBondContact O-N 3.39Å; E235-V237 VanDerWaalsContact O-N 3.1Å; V237-D239 VanDerWaalsContact C-N 3.26Å; V237-D239 PolarHBondContact O-N 3.28Å
238	K	30.6	Very low	41.4	Very low	190 Å²	190	120.8 Å²	120.8	83%	0.826	63%	0.628	S	S	*	*			trans	-65.9	91.3	162.9	-78.3	-172	175.7	178.7	0	109.2	E236	E236-K238 VanDerWaalsContact C-N 3.33Å; E236-K238 PolarHBondContact O-N 2.81Å
239	D	38.6	Very low	39.3	Very low	158 Å²	158	129 Å²	129	85%	0.845	67%	0.665	S	S	*	*			trans	-55.3	155.4	153.7	-176.8	30	0	0	0	110.2	V237	V237-D239 VanDerWaalsContact C-N 3.26Å; V237-D239 PolarHBondContact O-N 3.28Å
240	G	28.6	Very low	37.6	Very low	56 Å²	56	135.2 Å²	135.2	58%	0.577	69%	0.69	S	S	*	*			trans	95.1	68.2	170.9	0	0	0	0	0	116.3
241	S	29.2	Very low	35.9	Very low	115 Å²	115	141.6 Å²	141.6	80%	0.804	72%	0.722	S	S	*	*				-165.9	114.5	119.5	-84	0	0	0	0	111.4
242	R	31.4	Very low	34	Very low	200 Å²	200	143.8 Å²	143.8	76%	0.755	75%	0.751	S	S	*	*				72.2	92.8	69.1	-171.3	-177	-167.9	168.2	7.2	110.9	K244	R242-K244 PolarHBondContact O-N 3.29Å
243	V	30.2	Very low	32.4	Very low	133 Å²	133	146.2 Å²	146.2	81%	0.806	78%	0.777	S	S	*	*			trans	-52.5	132.4	159.5	178.9	0	0	0	0	107.9
244	K	29.7	Very low	31.3	Very low	162 Å²	162	142.9 Å²	142.9	70%	0.704	78%	0.776	S	S	*	*			trans	-124.3	132.7	166.5	-86.8	-166.8	168.1	-165.2	0	107.9	R242	R242-K244 PolarHBondContact O-N 3.29Å
245	D	26.6	Very low	30.5	Very low	138 Å²	138	143 Å²	143	74%	0.738	78%	0.776	S	S	*	*			trans	-71.2	151.3	-178.4	-51.6	-87.8	0	0	0	112.1	E247	D245-E247 PolarHBondContact O-N 3.23Å
246	P	33.2	Very low	29.6	Very low	130 Å²	130	142.6 Å²	142.6	84%	0.844	78%	0.784	S	S	*	*			trans	-84.9	89.5	173.2	33.9	-32.8	0	0	0	111.3
247	E	29.4	Very low	29.1	Very low	161 Å²	161	140.4 Å²	140.4	75%	0.752	78%	0.782	S	S	*	*			trans	-70.7	146.8	151	-74.2	-167.3	98.7	0	0	109.2	D245	D245-E247 PolarHBondContact O-N 3.23Å
248	Q	31.1	Very low	28.9	Very low	157 Å²	157	143.5 Å²	143.5	73%	0.734	79%	0.788	S	S	*	*			cis	-157.5	155.2	10.3	-124.1	165.7	39.6	0	0	108.5
249	Q	28.2	Very low	28.7	Very low	185 Å²	185	143.7 Å²	143.7	86%	0.864	79%	0.792	S	S	*	*			trans	-144.6	86.5	159.7	-151.6	166.4	69.8	0	0	113.3
250	Q	29.8	Very low	28.3	Very low	175 Å²	175	144.2 Å²	144.2	82%	0.818	79%	0.79	S	S	*	*			trans	59.2	116.8	144.2	-64.2	-179.7	21.7	0	0	121.5
251	D	27.5	Very low	28.1	Very low	171 Å²	171	148.5 Å²	148.5	91%	0.914	80%	0.804	S	S	*	*			trans	85.2	154.1	131.1	-153.3	16.2	0	0	0	119.6
252	G	26.9	Very low	27.8	Very low	70 Å²	70	146.3 Å²	146.3	72%	0.722	80%	0.8	S	S	*	*			trans	159.3	-48.4	172.3	0	0	0	0	0	118.6
253	G	25.3	Very low	27.4	Very low	74 Å²	74	141.4 Å²	141.4	76%	0.763	80%	0.803	S	S	*	*			trans	69.3	-179	171.3	0	0	0	0	0	119.4
254	C	24	Very low	27.2	Very low	122 Å²	122	142.1 Å²	142.1	82%	0.824	81%	0.807	S	S	*	*			trans	64.2	131.8	168.5	-152.1	0	0	0	0	118.2
255	E	26	Very low	26.9	Very low	159 Å²	159	138.3 Å²	138.3	74%	0.743	81%	0.814	S	S	*	*			cis	172.6	129.3	-33	-111.9	-171.9	128.6	0	0	106.2
256	T	24.3	Very low	26.9	Very low	132 Å²	132	135.1 Å²	135.1	81%	0.81	81%	0.813	S	S	*	*			trans	63.5	162.3	164.3	75.2	0	0	0	0	117.2
257	T	25.5	Very low	26.7	Very low	128 Å²	128	138.8 Å²	138.8	79%	0.785	81%	0.81	S	S	*	*			cis	-130.4	153.5	0.7	39.5	0	0	0	0	110.2
258	E	31.4	Very low	26.6	Very low	197 Å²	197	137.4 Å²	137.4	92%	0.921	80%	0.804	S	S	*	*			trans	-94.9	136.5	154.4	-67.1	-173.8	139.5	0	0	108.9
259	E	26.6	Very low	26.8	Very low	194 Å²	194	137.8 Å²	137.8	91%	0.907	81%	0.806	S	S	*	*			trans	-145.3	163.8	155.2	-141.9	-178.1	170.2	0	0	110.8
260	Q	29.5	Very low	26.8	Very low	170 Å²	170	136.3 Å²	136.3	79%	0.794	80%	0.803	S	S	*	*			trans	-102	178.8	-162.9	-62.9	-176.6	-18.4	0	0	113.7
261	T	23.6	Very low	26.6	Very low	145 Å²	145	133.1 Å²	133.1	89%	0.89	80%	0.799	S	S	*	*			trans	75.3	154.9	170.7	80.2	0	0	0	0	115.5
262	G	23.4	Very low	26.7	Very low	70 Å²	70	129 Å²	129	72%	0.722	79%	0.789	S	S	*	*			cis	162.3	130.4	-12.8	0	0	0	0	0	114.1
263	A	24.5	Very low	26.6	Very low	97 Å²	97	136.6 Å²	136.6	80%	0.802	80%	0.796	S	S	*	*			trans	66.3	118.2	159.1	0	0	0	0	0	121.4
264	V	24.3	Very low	26.6	Very low	148 Å²	148	138.2 Å²	138.2	90%	0.897	79%	0.791	S	S	*	*			trans	79.2	115.4	134.7	178	0	0	0	0	121.2
265	G	24.6	Very low	27.1	Very low	82 Å²	82	141.4 Å²	141.4	85%	0.845	79%	0.791	S	S	*	*			trans	91.2	136	145.2	0	0	0	0	0	117.5
266	G	26.8	Very low	27.3	Very low	70 Å²	70	140.3 Å²	140.3	72%	0.722	79%	0.79	S	S	*	*			cis	164.9	162.1	-8.1	0	0	0	0	0	113.1
267	R	27.8	Very low	27.5	Very low	207 Å²	207	143.4 Å²	143.4	78%	0.781	79%	0.787	S	S	*	*			trans	75.5	116.1	178.9	-48.6	-162.9	87.7	-178.2	-8	114.7
268	E	26.9	Very low	27.4	Very low	132 Å²	132	143.8 Å²	143.8	62%	0.617	78%	0.78	S	S	*	*				91.1	136.4	97.8	-75.2	158	-163.9	0	0	111.3
269	E	35.5	Very low	27.6	Very low	166 Å²	166	141.3 Å²	141.3	78%	0.776	77%	0.768	S	S	*	*			cis	-155.4	148.8	13.1	-135.2	166.8	-153.3	0	0	111.5
270	D	28.5	Very low	27.6	Very low	153 Å²	153	140.9 Å²	140.9	82%	0.818	77%	0.766	S	S	*	*			trans	47.2	158.4	159	-93.2	-24.6	0	0	0	122.9
271	C	26.7	Very low	27.6	Very low	109 Å²	109	141 Å²	141	74%	0.736	77%	0.767	S	S	*	*			cis	-150.2	154.8	17.8	-166.1	0	0	0	0	113.9
272	A	28.5	Very low	27.9	Very low	85 Å²	85	142.7 Å²	142.7	70%	0.702	77%	0.765	S	S	*	*			trans	47.2	110.3	160.2	0	0	0	0	0	119.9
273	R	25.6	Very low	28.2	Very low	228 Å²	228	147.1 Å²	147.1	86%	0.86	77%	0.766	S	S	*	*			cis	73.5	78.3	47	-155.9	77.3	-166.5	-103.2	0.4	113.5
274	T	24.7	Very low	28.2	Very low	108 Å²	108	150.1 Å²	150.1	66%	0.663	77%	0.768	S	S	*	*				74.2	112.6	81.2	67.2	0	0	0	0	118.4
275	K	34.7	Very low	28.5	Very low	189 Å²	189	149.4 Å²	149.4	82%	0.822	76%	0.76	S	S	*	*				23.7	145.3	124.2	-94.4	-176.2	176.2	176.7	0	122.6
276	N	29	Very low	28.6	Very low	136 Å²	136	154.4 Å²	154.4	73%	0.727	76%	0.761	S	S	*	*			trans	88	119.1	140.5	-68.8	2.4	0	0	0	122.1
277	R	29.8	Very low	28.9	Very low	197 Å²	197	157.8 Å²	157.8	74%	0.743	76%	0.759	S	S	*	*				28.6	123.4	117.1	173.4	-170.2	167	-179.6	1.2	118.5
278	H	24.1	Very low	29	Very low	137 Å²	137	155 Å²	155	63%	0.634	76%	0.76	S	S	*	*				-162	-179.7	106.6	-133.4	-63	0	0	0	113.1
279	E	33.9	Very low	29	Very low	144 Å²	144	156.1 Å²	156.1	67%	0.673	77%	0.765	S	S	*	*			trans	-94.9	156.9	-179.9	-61.2	149.2	116.7	0	0	111
280	E	28.2	Very low	28.5	Very low	186 Å²	186	152.4 Å²	152.4	87%	0.869	75%	0.754	S	S	*	*			trans	162.1	163.9	131.1	-89.4	178.6	154.8	0	0	115.1
281	E	29	Very low	28.4	Very low	173 Å²	173	154.9 Å²	154.9	81%	0.808	76%	0.758	S	S	*	*			trans	77	123.6	155.8	-76.3	175.2	175.5	0	0	125.7
282	E	29.5	Very low	28.4	Very low	180 Å²	180	153.7 Å²	153.7	84%	0.841	76%	0.756	S	S	*	*			trans	75.2	175.5	133.1	-69.4	-154.3	152.7	0	0	125.1
283	E	30.2	Very low	28.9	Very low	162 Å²	162	154.8 Å²	154.8	76%	0.757	76%	0.756	S	S	*	*			trans	-86.2	167.3	-154.5	-55.1	-173.3	117.9	0	0	114.8
284	L	24.7	Very low	29.1	Very low	161 Å²	161	149.5 Å²	149.5	84%	0.843	75%	0.749	S	S	*	*				156.7	130.4	116	-80.8	179.5	0	0	0	113.4
285	N	30.5	Very low	29.4	Very low	133 Å²	133	152 Å²	152	71%	0.711	75%	0.753	S	S	*	*			trans	-58.7	130.9	168.3	154.8	87.1	0	0	0	113.8
286	E	26.7	Very low	29	Very low	187 Å²	187	148.3 Å²	148.3	87%	0.874	75%	0.75	S	S	*	*			trans	-150	158.1	153.9	-139.4	178.9	-168.3	0	0	112.6
287	M	33.3	Very low	28.7	Very low	140 Å²	140	145.9 Å²	145.9	69%	0.69	76%	0.756	S	S	*	*			trans	-126.5	145.8	-170.8	-59	174.4	177.3	0	0	111.8
288	N	28.5	Very low	28.6	Very low	149 Å²	149	139.8 Å²	139.8	80%	0.797	76%	0.755	S	S	*	*			trans	-161.4	135.4	147.3	-90.5	-57.7	0	0	0	108.9
289	H	27.9	Very low	28.8	Very low	156 Å²	156	140.9 Å²	140.9	72%	0.722	77%	0.765	S	S	*	*			cis	69.9	130	48.2	-76.5	-66.3	0	0	0	113.5
290	T	24.8	Very low	28.5	Very low	88 Å²	88	139.6 Å²	139.6	54%	0.54	77%	0.768	S	S	.	*			cis	-153.2	157.4	-2.4	-65.6	0	0	0	0	106.9
291	F	26.2	Very low	28.6	Very low	204 Å²	204	136 Å²	136	90%	0.895	76%	0.763	S	S	*	*				-176	147	88.6	-91.6	-81.6	0	0	0	112.6
292	A	26.4	Very low	28.6	Very low	84 Å²	84	135.1 Å²	135.1	69%	0.694	76%	0.759	S	S	*	*			trans	-114.1	-165.5	173	0	0	0	0	0	110
293	P	39.5	Very low	28.4	Very low	109 Å²	109	133.3 Å²	133.3	71%	0.708	75%	0.751	S	S	*	*				-156.5	153.7	75.2	40.7	-20.2	0	0	0	119.1
294	T	29.1	Very low	28.4	Very low	117 Å²	117	133.3 Å²	133.3	72%	0.718	75%	0.751	S	S	*	*			trans	65.4	155.3	145.1	49.5	0	0	0	0	121.3
295	H	30.5	Very low	28.6	Very low	160 Å²	160	133.7 Å²	133.7	74%	0.741	75%	0.748	S	S	*	*			cis	-147.5	150.9	10.2	-129.1	-64.3	0	0	0	112.8
296	C	26.6	Very low	28.4	Very low	112 Å²	112	134.8 Å²	134.8	76%	0.757	75%	0.754	S	S	*	*			trans	13.8	142.2	164.3	-58.3	0	0	0	0	122.5
297	G	24.2	Very low	28.6	Very low	84 Å²	84	131.6 Å²	131.6	87%	0.866	75%	0.752	S	S	*	*			cis	98.2	139.9	8.5	0	0	0	0	0	113.7
298	G	25.9	Very low	28.3	Very low	70 Å²	70	136.8 Å²	136.8	72%	0.722	76%	0.764	S	S	*	*			cis	178.2	-160.3	2.5	0	0	0	0	0	112.5
299	N	28.6	Very low	28.1	Very low	159 Å²	159	132.8 Å²	132.8	85%	0.85	76%	0.758	S	S	*	*			trans	74.8	150.6	173.2	-57.2	4.7	0	0	0	116.7
300	T	27.3	Very low	27.9	Very low	118 Å²	118	133.1 Å²	133.1	72%	0.724	77%	0.765	S	S	*	*			cis	-162.8	151.3	-0.7	4.6	0	0	0	0	112.2
301	S	31.9	Very low	27.7	Very low	111 Å²	111	134.4 Å²	134.4	78%	0.776	78%	0.776	S	S	*	*			trans	63.4	169.3	150.5	-58	0	0	0	0	120.5
302	Q	27.4	Very low	27.6	Very low	154 Å²	154	129.8 Å²	129.8	72%	0.72	76%	0.764	S	S	*	*			cis	-173.9	152	-42.7	172.7	163.5	-40.7	0	0	109.3
303	E	27.1	Very low	27.5	Very low	141 Å²	141	134 Å²	134	66%	0.659	77%	0.769	S	S	*	*			trans	67.3	161.5	170.4	-78.3	166.9	104.5	0	0	117.1
304	Q	29.4	Very low	26.8	Very low	162 Å²	162	136.9 Å²	136.9	76%	0.757	77%	0.773	S	S	*	*			cis	-145.6	-155.4	-1.3	-133.9	171	48.1	0	0	112.2
305	Q	28.4	Very low	26.7	Very low	169 Å²	169	139.8 Å²	139.8	79%	0.79	78%	0.779	S	S	*	*			trans	-101.4	170.8	-163.8	-60.2	172.2	-64.8	0	0	116.6
306	D	27	Very low	26.4	Very low	156 Å²	156	137.7 Å²	137.7	83%	0.834	78%	0.777	S	S	*	*			trans	62.3	139.9	161.2	-74.3	-22.7	0	0	0	118.8
307	S	30.9	Very low	26.4	Very low	120 Å²	120	136.3 Å²	136.3	84%	0.839	77%	0.773	S	S	*	*				-170.4	-167.3	56.3	52.5	0	0	0	0	114.2
308	R	26.3	Very low	26.4	Very low	250 Å²	250	139.3 Å²	139.3	94%	0.943	77%	0.769	S	S	*	*			trans	-84.8	153.7	-166.4	-57	163.6	170.6	167.7	-6.2	115.6
309	G	24.8	Very low	26.4	Very low	65 Å²	65	145.7 Å²	145.7	67%	0.67	77%	0.772	S	S	*	*			trans	155.4	102.2	157.5	0	0	0	0	0	111.8
310	L	24	Very low	26.3	Very low	163 Å²	163	143.8 Å²	143.8	85%	0.853	76%	0.761	S	S	*	*				68.3	108.2	83.7	-74.3	174.7	0	0	0	115.4
311	C	21	Very low	26.2	Very low	115 Å²	115	145.9 Å²	145.9	78%	0.777	76%	0.763	S	S	*	*			trans	66.5	147.2	142.4	-61.3	0	0	0	0	118.8
312	V	23.5	Very low	25.8	Very low	106 Å²	106	145.8 Å²	145.8	64%	0.642	76%	0.762	S	S	*	*			cis	160.7	149	-13.2	132.1	0	0	0	0	103.3
313	E	24.2	Very low	25.7	Very low	174 Å²	174	143.1 Å²	143.1	81%	0.813	76%	0.76	S	S	*	*			trans	66	149.6	173.9	-79.2	144.9	-142.5	0	0	115.8
314	E	24.7	Very low	25.5	Very low	169 Å²	169	141.3 Å²	141.3	79%	0.79	76%	0.759	S	S	*	*			cis	-151.3	-148.4	-11.4	-144.4	-175.2	179	0	0	110.9
315	E	26.7	Very low	25.3	Very low	178 Å²	178	140.5 Å²	140.5	83%	0.832	76%	0.755	S	S	*	*			trans	70.7	127.4	-179	-57.9	-154	105.8	0	0	117
316	V	24.3	Very low	25.1	Very low	116 Å²	116	139.5 Å²	139.5	70%	0.703	75%	0.748	S	S	*	*			cis	100.9	85.9	27.3	-179.4	0	0	0	0	114.3
317	A	26.8	Very low	24.9	Very low	82 Å²	82	139.2 Å²	139.2	68%	0.678	75%	0.747	S	S	*	*			trans	57	151.5	138.2	0	0	0	0	0	123.4
318	N	25.3	Very low	24.7	Very low	147 Å²	147	139.5 Å²	139.5	79%	0.786	75%	0.749	S	S	*	*			trans	73.3	141.5	159.5	-74.4	-43.8	0	0	0	117.6
319	R	25.9	Very low	24.4	Very low	204 Å²	204	132.2 Å²	132.2	77%	0.77	74%	0.736	S	S	*	*			cis	-168.3	166.6	-9.4	-141.1	178.7	166.8	-148.3	0.6	110.3
320	L	26.3	Very low	24.4	Very low	120 Å²	120	135.3 Å²	135.3	63%	0.628	75%	0.746	S	S	*	*			trans	67.6	152.5	164	-91.7	68.1	0	0	0	116.7
321	Q	25	Very low	24.4	Very low	162 Å²	162	135.7 Å²	135.7	76%	0.757	74%	0.743	S	S	*	*			cis	-165.4	179.5	-23.6	-135.3	173.7	0.5	0	0	110.8
322	S	23	Very low	24.5	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	75%	0.75	S	S	*	*			trans	72.9	145.4	168.2	-85.2	0	0	0	0	119
323	S	25.6	Very low	24.4	Very low	97 Å²	97	140.7 Å²	140.7	68%	0.678	75%	0.752	S	S	*	*			cis	-173	178.9	-18.2	50.9	0	0	0	0	111.5
324	T	22.2	Very low	24.4	Very low	104 Å²	104	139 Å²	139	64%	0.638	75%	0.749	S	S	*	*			trans	96	89.7	146.9	-45.7	0	0	0	0	119.4
325	E	25.1	Very low	24.3	Very low	145 Å²	145	140.3 Å²	140.3	68%	0.678	76%	0.755	S	S	*	*			trans	70.7	155.4	132.4	-60.7	-171.2	156.5	0	0	120.7
326	K	25.5	Very low	24.3	Very low	147 Å²	147	138.7 Å²	138.7	64%	0.639	75%	0.752	S	S	*	*			cis	-155.9	155.4	-4.3	-123.3	161.9	-169	149	0	111.9
327	N	22.4	Very low	24.4	Very low	151 Å²	151	139 Å²	139	81%	0.807	75%	0.754	S	S	*	*			trans	29.4	129.5	152.9	-61.2	10.4	0	0	0	122.6
328	S	25.3	Very low	24.6	Very low	125 Å²	125	140 Å²	140	87%	0.874	76%	0.756	S	S	*	*				-148.6	156.4	118.5	-166.7	0	0	0	0	110.5
329	S	21.4	Very low	24.6	Very low	98 Å²	98	141.7 Å²	141.7	69%	0.685	76%	0.759	S	S	*	*			trans	-153.2	136.7	-177	178.5	0	0	0	0	111.4
330	C	23.5	Very low	24.7	Very low	129 Å²	129	140 Å²	140	87%	0.872	77%	0.765	S	S	*	*			trans	-138.9	131.2	160.4	-64.3	0	0	0	0	109.3
331	Q	24.2	Very low	24.6	Very low	171 Å²	171	137.8 Å²	137.8	80%	0.799	77%	0.772	S	S	*	*			trans	-108.3	150.1	159.1	-62.7	174.1	-99.4	0	0	107.3
332	E	23.8	Very low	24.8	Very low	197 Å²	197	138.8 Å²	138.8	92%	0.921	78%	0.776	S	S	*	*			trans	-158.2	169.1	140.5	-119	166.8	-167.2	0	0	110.3
333	N	21.6	Very low	24.9	Very low	129 Å²	129	140.2 Å²	140.2	69%	0.69	77%	0.771	S	S	*	*			trans	-102.6	160.9	-152.8	-78.2	13.7	0	0	0	115.5
334	D	23.3	Very low	24.9	Very low	139 Å²	139	145 Å²	145	74%	0.743	78%	0.78	S	S	*	*			trans	24.1	121.2	141.9	-47.6	-44.6	0	0	0	119.4
335	Q	22.9	Very low	24.9	Very low	197 Å²	197	147.7 Å²	147.7	92%	0.921	78%	0.784	S	S	*	*				-153.9	147.9	114.2	-116.8	167.7	21.1	0	0	113.9
336	D	27.2	Very low	25	Very low	144 Å²	144	148.8 Å²	148.8	77%	0.77	79%	0.787	S	S	*	*			trans	-90	131.5	-178.9	177.1	26.9	0	0	0	110.6
337	V	25	Very low	24.9	Very low	123 Å²	123	148.5 Å²	148.5	75%	0.745	79%	0.788	S	S	*	*			trans	-144.6	104.7	169.8	-176.4	0	0	0	0	108.9
338	S	31.4	Very low	25.1	Very low	101 Å²	101	146.5 Å²	146.5	71%	0.706	78%	0.778	S	S	*	*			trans	-84.8	136.5	164.4	45	0	0	0	0	110.6
339	E	25.5	Very low	25.3	Very low	183 Å²	183	148.2 Å²	148.2	86%	0.855	77%	0.765	S	S	*	*			trans	-148.7	117.4	169	-120.2	176.9	-165.3	0	0	110
340	D	28.1	Very low	25.7	Very low	169 Å²	169	150 Å²	150	90%	0.904	76%	0.763	S	S	*	*			trans	-72.8	139.1	-174.7	-60.4	-78.6	0	0	0	113
341	G	25.2	Very low	25.8	Very low	74 Å²	74	148.3 Å²	148.3	76%	0.763	74%	0.742	S	S	*	*			trans	-127.9	34.4	-161	0	0	0	0	0	117.9	E343	G341-E343 PolarHBondContact O-N 2.88Å
342	E	27.6	Very low	25.8	Very low	183 Å²	183	145.6 Å²	145.6	86%	0.855	74%	0.737	S	S	*	*			trans	27.2	86.7	168.8	-65.5	-169.2	155.8	0	0	117.4
343	E	25.1	Very low	26.1	Very low	138 Å²	138	143 Å²	143	65%	0.645	73%	0.729	S	S	*	*			trans	-62.1	143.2	171.1	-71.4	-171.6	156.1	0	0	113.1	G341 R521	G341-E343 PolarHBondContact O-N 2.88Å; E343-R521 IonicContact OE1-NH1 2.74Å; E343-R521 PolarHBondContact OE1-NH1 3.38Å; E343-R521 VanDerWaalsContact OE1-NH1 3.08Å; E343-R521 IonicContact OE2-CZ 3.97Å; E343-R521 IonicContact OE2-NH1 3.45Å; E343-R521 PolarHBondContact OE2-NH1 3.42Å; E343-R521 IonicContact OE2-NH2 2.74Å; E343-R521 PolarHBondContact OE2-NH2 2.94Å
344	K	27.4	Very low	26.4	Very low	198 Å²	198	144.4 Å²	144.4	86%	0.861	74%	0.736	S	S	*	*			trans	-101.2	105.6	176.7	-75.9	173.4	-175.7	152.1	0	111.8	F346	K344-F346 PolarHBondContact O-N 2.93Å
345	H	21.7	Very low	26.5	Very low	160 Å²	160	141.2 Å²	141.2	74%	0.741	74%	0.736	S	S	*	*			trans	-13.1	108.3	162.2	-166	-108.5	0	0	0	114.8	E347	H345-E347 WeakPolarHBondContact CE1-CG 3.42Å; H345-E347 IonicContact CE1-OE1 2.68Å; H345-E347 PolarHBondContact CE1-OE1 3.42Å; H345-E347 IonicContact ND1-OE1 2.92Å
346	F	26.3	Very low	26.8	Very low	169 Å²	169	140.9 Å²	140.9	74%	0.741	73%	0.734	S	S	*	*			trans	-113.7	114	170.1	-174.9	-91.7	0	0	0	108.5	K344 D348	K344-F346 PolarHBondContact O-N 2.93Å; F346-D348 PolarHBondContact O-N 3.25Å
347	E	24.6	Very low	27	Very low	141 Å²	141	142 Å²	142	66%	0.659	74%	0.735	S	S	*	*			trans	-75.3	91.9	-176	-68.8	166.8	-173.3	0	0	110.9	H345	H345-E347 WeakPolarHBondContact CE1-CG 3.42Å; H345-E347 IonicContact CE1-OE1 2.68Å; H345-E347 PolarHBondContact CE1-OE1 3.42Å; H345-E347 IonicContact ND1-OE1 2.92Å
348	D	26.4	Very low	26.9	Very low	109 Å²	109	144.1 Å²	144.1	58%	0.583	74%	0.742	S	S	*	*			trans	-74.2	165.4	163.1	-153	14.9	0	0	0	110.6	F346	F346-D348 PolarHBondContact O-N 3.25Å
349	W	29.9	Very low	27	Very low	161 Å²	161	146.2 Å²	146.2	61%	0.61	74%	0.744	S	S	*	*			trans	-112.3	136.5	-164.4	48.5	-79.1	0	0	0	112.4	E351	W349-E351 HydrophobicContact CE3-CG 4.21Å; W349-E351 HydrophobicContact CZ3-CG 3.9Å
350	E	28.7	Very low	27.2	Very low	135 Å²	135	146.6 Å²	146.6	63%	0.631	75%	0.746	S	S	*	*			trans	-76.4	147.6	175.1	-67.5	156	-162.1	0	0	112.1	A517	E350-A517 HydrophobicContact CG-CB 4.27Å
351	E	26.3	Very low	27.2	Very low	93 Å²	93	145.6 Å²	145.6	44%	0.435	74%	0.74	S	S	.	*			trans	-123.9	94.1	151.5	-86.4	-157.5	153	0	0	110.1	W349 L353 K379 R551	W349-E351 HydrophobicContact CE3-CG 4.21Å; W349-E351 HydrophobicContact CZ3-CG 3.9Å; E351-L353 PolarHBondContact O-N 2.7Å; E351-K379 VanDerWaalsContact CD-NZ 3.26Å; E351-K379 IonicContact OE1-NZ 3.77Å; E351-K379 PolarHBondContact OE1-NZ 2.71Å; E351-R551 IonicContact OE1-NH2 2.77Å; E351-R551 PolarHBondContact OE1-NH2 2.94Å; E351-R551 IonicContact OE2-NH2 2.72Å; E351-R551 PolarHBondContact OE2-NH2 2.85Å
352	T	23.6	Very low	27.5	Very low	115 Å²	115	147.7 Å²	147.7	71%	0.706	74%	0.74	S	S	*	*			trans	-62.3	127.5	161.2	-38.8	0	0	0	0	109.2
353	L	29.9	Very low	27.6	Very low	142 Å²	142	142.9 Å²	142.9	74%	0.743	73%	0.732	S	S	*	*			trans	-119.9	98.1	168.1	-73.7	176	0	0	0	108.9	E351	E351-L353 PolarHBondContact O-N 2.7Å
354	D	27.6	Very low	28.1	Very low	158 Å²	158	142.4 Å²	142.4	85%	0.845	74%	0.741	S	S	*	*			trans	-96.6	139.5	154.8	-88.7	-52.9	0	0	0	108.4
355	G	25.8	Very low	28.3	Very low	72 Å²	72	142.7 Å²	142.7	74%	0.742	74%	0.742	S	S	*	*			trans	-135.7	119.3	-178.8	0	0	0	0	0	112.1
356	H	29.2	Very low	28.9	Very low	190 Å²	190	144.9 Å²	144.9	88%	0.88	75%	0.752	S	S	*	*			trans	-149.7	148.2	146.9	-141.3	-80.7	0	0	0	110.9
357	E	30.7	Very low	29.2	Very low	169 Å²	169	141.1 Å²	141.1	79%	0.79	75%	0.753	S	S	*	*			trans	-86.2	143.5	177.6	-56.8	175.9	111.7	0	0	110.7
358	D	24.8	Very low	29.6	Very low	167 Å²	167	142.1 Å²	142.1	89%	0.893	76%	0.757	S	S	*	*			trans	-163.5	161.6	134.5	-123.3	-36.8	0	0	0	112.1
359	I	33.3	Very low	29.9	Very low	144 Å²	144	146.4 Å²	146.4	74%	0.738	77%	0.774	S	S	*	*			trans	-113.7	124.6	-163.1	-55.5	171.6	0	0	0	113.3
360	Q	29	Very low	30.2	Very low	192 Å²	192	146.8 Å²	146.8	90%	0.897	78%	0.78	S	S	*	*			trans	-178.1	139	134	-102.6	150.2	97.1	0	0	114.6
361	D	28.3	Very low	30.4	Very low	148 Å²	148	146.3 Å²	146.3	79%	0.791	79%	0.79	S	S	*	*			trans	-77.6	149.8	169.1	-130.1	-57	0	0	0	110.2	A363	D361-A363 PolarHBondContact OD1-N 2.77Å
362	P	30.8	Very low	31	Very low	117 Å²	117	146 Å²	146	76%	0.76	81%	0.812	S	S	*	*				-152.1	134.7	92.8	36.6	-18.2	0	0	0	117.4
363	A	29.3	Very low	31.6	Very low	82 Å²	82	143.6 Å²	143.6	68%	0.678	81%	0.81	S	S	*	*			trans	52.3	138.5	133	0	0	0	0	0	121.1	D361	D361-A363 PolarHBondContact OD1-N 2.77Å
364	P	37.3	Very low	32.2	Very low	128 Å²	128	148.5 Å²	148.5	83%	0.831	82%	0.819	S	S	*	*			trans	-86.3	155.4	-155.2	34.6	-38.5	0	0	0	116
365	K	30	Very low	33	Very low	205 Å²	205	146.2 Å²	146.2	89%	0.891	81%	0.812	S	S	*	*			trans	-118.5	132.3	156	-72.1	-178	179.2	175.7	0	109.6
366	Q	35.6	Very low	34.3	Very low	205 Å²	205	148.4 Å²	148.4	96%	0.958	81%	0.814	S	S	*	*			trans	-71.5	133.4	176.5	-67.1	172	-19.3	0	0	110.1
367	A	31.5	Very low	35.9	Very low	91 Å²	91	147.9 Å²	147.9	75%	0.752	81%	0.809	S	S	*	*			trans	-128.3	132	167.5	0	0	0	0	0	108.2	E369	A367-E369 PolarHBondContact O-N 2.66Å
368	E	34.6	Very low	38.2	Very low	161 Å²	161	145.4 Å²	145.4	75%	0.752	80%	0.796	S	S	*	*			trans	-76	104.1	-176.7	-61.9	-168.2	138.1	0	0	111.6	K370	E368-K370 PolarHBondContact O-N 2.79Å; E368-K370 IonicContact OE2-NZ 3.35Å; E368-K370 PolarHBondContact OE2-NZ 2.66Å
369	E	31.2	Very low	41	Very low	199 Å²	199	142 Å²	142	93%	0.93	77%	0.773	S	S	*	*			trans	-71.1	92.7	173.2	-73.2	-160.2	121.4	0	0	112.1	A367	A367-E369 PolarHBondContact O-N 2.66Å
370	K	38	Very low	43.8	Very low	169 Å²	169	137 Å²	137	74%	0.735	75%	0.75	S	S	*	*			trans	-103	78	165.1	-74	173.1	-179.3	132.9	0	110.9	E368	E368-K370 PolarHBondContact O-N 2.79Å; E368-K370 IonicContact OE2-NZ 3.35Å; E368-K370 PolarHBondContact OE2-NZ 2.66Å
371	C	32.2	Very low	46.8	Very low	126 Å²	126	130 Å²	130	85%	0.851	72%	0.72	S	S	*	*			trans	-152.4	136.7	159.5	-149.5	0	0	0	0	113.1	G373	C371-G373 VanDerWaalsContact C-N 3.27Å; C371-G373 PolarHBondContact O-N 3.48Å
372	G	38	Very low	49.9	Very low	87 Å²	87	124 Å²	124	90%	0.897	69%	0.687	S	S	*	*			trans	-78.6	59.9	-174.6	0	0	0	0	0	114.5
373	G	37	Very low	53	Low	64 Å²	64	118.8 Å²	118.8	66%	0.66	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-69.3	140.1	173.7	0	0	0	0	0	112.5	C371	C371-G373 VanDerWaalsContact C-N 3.27Å; C371-G373 PolarHBondContact O-N 3.48Å
374	R	41.7	Very low	56.1	Low	244 Å²	244	114.9 Å²	114.9	92%	0.921	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-68.5	126.8	168.5	-163.3	-179.4	-162.1	-177.1	5.6	107.7
375	P	44.9	Very low	58.9	Low	110 Å²	110	108.8 Å²	108.8	71%	0.714	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-60.1	140.8	-174	22.9	-33.7	0	0	0	111
376	P	54.1	Low	61.9	Low	119 Å²	119	99.1 Å²	99.1	77%	0.773	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-59.2	144.4	-174.1	22.4	-33	0	0	0	111.8	K378	P376-K378 PolarHBondContact O-N 2.89Å
377	K	62.5	Low	64.7	Low	178 Å²	178	92.3 Å²	92.3	77%	0.774	50%	0.504	S	S	*	.			trans	-58.4	113	174.8	-63.2	177.4	-174	171.2	0	107.9	K379	K377-K379 PolarHBondContact O-N 3.08Å; K377-K379 VanDerWaalsContact O-N 3.08Å
378	K	78.3	Confident	67.5	Low	117 Å²	117	88 Å²	88	51%	0.509	47%	0.469	S	S	.	.			trans	-61.1	111.1	178.5	-61.3	-175.7	-171.4	177.7	0	109.4	P376 V429 H499	P376-K378 PolarHBondContact O-N 2.89Å; K378-V429 HydrophobicContact CB-CG1 4.14Å; K378-V429 HydrophobicContact CB-CG2 4.19Å; K378-V429 HydrophobicContact CD-CG1 4.14Å; K378-H499 PolarHBondContact O-CD2 3.02Å; K378-H499 PolarHBondContact O-NE2 3.35Å
379	K	84.4	Confident	70.1	Confident	95 Å²	95	84.2 Å²	84.2	41%	0.413	45%	0.454	S	S	.	.			trans	-64.8	145.8	174.1	-66.8	-168.5	-178.2	-168.2	0	110.6	E351 K377	E351-K379 VanDerWaalsContact CD-NZ 3.26Å; E351-K379 IonicContact OE1-NZ 3.77Å; E351-K379 PolarHBondContact OE1-NZ 2.71Å; K377-K379 PolarHBondContact O-N 3.08Å; K377-K379 VanDerWaalsContact O-N 3.08Å
380	P	90.7	Very high	73	Confident	39 Å²	39	76.5 Å²	76.5	25%	0.253	42%	0.42	S	S	.	.			trans	-65.2	146.5	169.8	30.9	-35.7	0	0	0	110.1	L427	P380-L427 HydrophobicContact CB-CB 4.04Å; P380-L427 HydrophobicContact CB-CD1 4.35Å; P380-L427 HydrophobicContact CB-CD2 4.46Å; P380-L427 HydrophobicContact CG-CD1 4.41Å
381	T	92.5	Very high	75.5	Confident	46 Å²	46	73.3 Å²	73.3	28%	0.282	42%	0.417	S	S	.	.			trans	-119.9	-31.2	-176	54.9	0	0	0	0	111.8	L428 L430 V550	T381-L428 PolarHBondContact N-O 3.03Å; T381-L428 PolarHBondContact OG1-O 3.04Å; T381-L430 PolarHBondContact OG1-N 3.44Å; T381-L430 PolarHBondContact OG1-O 3.4Å; T381-V550 PolarHBondContact O-N 3.26Å
382	H	94.2	Very high	78.4	Confident	21 Å²	21	70.4 Å²	70.4	10%	0.097	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	161.9	-175.6	-65.7	80.5	0	0	0	109.1	L428 L430 V436 L547 C548 I562	H382-L428 HydrophobicContact CB-CB 4.21Å; H382-L428 PolarHBondContact N-O 2.95Å; H382-L428 VanDerWaalsContact N-O 3.17Å; H382-L428 PolarHBondContact O-N 2.72Å; H382-L430 HydrophobicContact CB-CD1 3.97Å; H382-L430 HydrophobicContact CB-CG 4.46Å; H382-V436 WeakPolarHBondContact NE2-CG2 3.44Å; H382-L547 HydrophobicContact CB-CD1 4.05Å; H382-C548 CarbonylContact C-O 3.36Å; H382-C548 WeakPolarHBondContact CA-O 2.9Å; H382-I562 WeakPolarHBondContact CD2-CD1 3.37Å; H382-I562 WeakPolarHBondContact NE2-CD1 3.5Å
383	F	95.3	Very high	81	Confident	8 Å²	8	66.3 Å²	66.3	4%	0.035	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	152.2	176.2	66	-75.6	0	0	0	112.3	T385 H422 T424 C426 L427 C548 T549 V550 Y559	F383-T385 HydrophobicContact CD2-CG2 4.07Å; F383-T385 HydrophobicContact CE2-CG2 3.69Å; F383-H422 AromaticContact CE2-CD2 3.78Å; F383-H422 AromaticContact CE2-NE2 3.7Å; F383-T424 HydrophobicContact CB-CG2 4.28Å; F383-T424 HydrophobicContact CD2-CG2 4.2Å; F383-T424 WeakPolarHBondContact CD2-OG1 3.14Å; F383-C426 CarbonylContact C-O 3.35Å; F383-C426 WeakPolarHBondContact CA-O 3.32Å; F383-L427 HydrophobicContact CB-CD2 3.71Å; F383-C548 HydrophobicContact CD1-CB 3.96Å; F383-C548 HydrophobicContact CE1-CB 3.53Å; F383-C548 HydrophobicContact CE2-CB 4.22Å; F383-C548 HydrophobicContact CG-CB 4.47Å; F383-C548 HydrophobicContact CZ-CB 3.68Å; F383-C548 PolarHBondContact N-O 3.41Å; F383-C548 PolarHBondContact O-N 2.91Å; F383-T549 WeakPolarHBondContact CE1-O 3.29Å; F383-V550 HydrophobicContact CD1-CG2 3.81Å; F383-V550 HydrophobicContact CE1-CG2 4.39Å; F383-Y559 AromaticContact CE1-CD1 3.98Å; F383-Y559 HydrophobicContact CE1-CD1 3.98Å; F383-Y559 HydrophobicContact CE1-CE1 4.48Å; F383-Y559 HydrophobicContact CE1-CG 4.12Å; F383-Y559 AromaticContact CZ-CD1 3.87Å; F383-Y559 HydrophobicContact CZ-CD1 3.87Å; F383-Y559 AromaticContact CZ-CD2 3.86Å; F383-Y559 HydrophobicContact CZ-CD2 3.86Å; F383-Y559 HydrophobicContact CZ-CE1 4.23Å; F383-Y559 HydrophobicContact CZ-CE2 4.24Å; F383-Y559 AromaticContact CZ-CG 3.68Å; F383-Y559 HydrophobicContact CZ-CG 3.68Å
384	I	95.3	Very high	83.6	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.7	170.1	-51.6	-61.4	0	0	0	108.5	L425 C426 L428 L443 L488 Y492 H546 L547	I384-L425 HydrophobicContact CG2-CD1 4.34Å; I384-L425 PolarHBondContact O-N 3.42Å; I384-C426 PolarHBondContact N-O 3.28Å; I384-L428 HydrophobicContact CD1-CD1 4.16Å; I384-L428 HydrophobicContact CG1-CD1 4.22Å; I384-L443 HydrophobicContact CD1-CD1 4.41Å; I384-L443 HydrophobicContact CD1-CD2 4.22Å; I384-L443 HydrophobicContact CG2-CD1 4.32Å; I384-L488 HydrophobicContact CG2-CD1 4.29Å; I384-Y492 HydrophobicContact CD1-CE2 4.13Å; I384-Y492 HydrophobicContact CG1-CE2 3.86Å; I384-H546 WeakPolarHBondContact CA-O 3.47Å; I384-L547 HydrophobicContact CD1-CB 3.99Å; I384-L547 HydrophobicContact CD1-CD1 3.71Å; I384-L547 HydrophobicContact CD1-CG 4.41Å
385	T	94.9	Very high	86.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	158.5	-177	-171.1	0	0	0	0	112.1	F383 H422 V423 H546 F558	F383-T385 HydrophobicContact CD2-CG2 4.07Å; F383-T385 HydrophobicContact CE2-CG2 3.69Å; T385-H422 WeakPolarHBondContact OG1-CB 3.28Å; T385-H422 PolarHBondContact OG1-CD2 3.07Å; T385-H422 VanDerWaalsContact OG1-CD2 3.23Å; T385-V423 WeakPolarHBondContact CA-O 3.34Å; T385-V423 VanDerWaalsContact OG1-C 3.29Å; T385-V423 PolarHBondContact OG1-N 2.81Å; T385-V423 PolarHBondContact OG1-O 2.69Å; T385-H546 HydrophobicContact CG2-CB 4.13Å; T385-H546 PolarHBondContact N-O 3.35Å; T385-H546 PolarHBondContact O-N 3.14Å; T385-F558 HydrophobicContact CG2-CZ 4.34Å
386	F	94.1	Very high	88.3	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	155.1	157.1	66.8	-84.6	0	0	0	110.1	H422 V423 L425 V457 F459 L481 Q540 V542 T544 L545	F386-H422 WeakPolarHBondContact O-CA 3.38Å; F386-H422 WeakPolarHBondContact O-CB 3.46Å; F386-V423 HydrophobicContact CD1-CB 4.07Å; F386-V423 HydrophobicContact CD1-CG1 4.47Å; F386-V423 HydrophobicContact CE1-CB 3.45Å; F386-V423 VanDerWaalsContact CE1-CB 3.45Å; F386-V423 HydrophobicContact CE1-CG1 3.57Å; F386-V423 HydrophobicContact CE1-CG2 4.24Å; F386-V423 HydrophobicContact CE2-CB 4.07Å; F386-V423 HydrophobicContact CE2-CG2 4.07Å; F386-V423 HydrophobicContact CZ-CB 3.46Å; F386-V423 VanDerWaalsContact CZ-CB 3.46Å; F386-V423 HydrophobicContact CZ-CG1 3.78Å; F386-V423 HydrophobicContact CZ-CG2 3.72Å; F386-V423 PolarHBondContact N-O 2.91Å; F386-V423 PolarHBondContact O-N 2.97Å; F386-L425 HydrophobicContact CD1-CD1 4.48Å; F386-L425 HydrophobicContact CD1-CD2 4.01Å; F386-L425 HydrophobicContact CD1-CG 4.3Å; F386-L425 HydrophobicContact CE1-CD2 3.93Å; F386-V457 HydrophobicContact CE2-CG2 3.99Å; F386-V457 HydrophobicContact CZ-CG2 3.86Å; F386-F459 HydrophobicContact CE2-CZ 4.41Å; F386-L481 HydrophobicContact CE1-CD1 3.77Å; F386-L481 HydrophobicContact CE1-CD2 4.08Å; F386-L481 HydrophobicContact CZ-CD1 4.37Å; F386-L481 HydrophobicContact CZ-CD2 4.41Å; F386-Q540 HydrophobicContact CD2-CG 4.27Å; F386-Q540 HydrophobicContact CE2-CG 4.02Å; F386-V542 HydrophobicContact CB-CG1 4.08Å; F386-V542 HydrophobicContact CD1-CG1 3.89Å; F386-V542 HydrophobicContact CD1-CG2 4.29Å; F386-V542 HydrophobicContact CD2-CG1 4.44Å; F386-V542 HydrophobicContact CD2-CG2 4.08Å; F386-V542 HydrophobicContact CE1-CG1 4.41Å; F386-V542 HydrophobicContact CE1-CG2 4.11Å; F386-V542 HydrophobicContact CE2-CG2 3.88Å; F386-V542 HydrophobicContact CG-CG1 3.9Å; F386-V542 HydrophobicContact CG-CG2 4.28Å; F386-V542 HydrophobicContact CZ-CG2 3.88Å; F386-T544 VanDerWaalsContact CB-O 3.29Å; F386-T544 WeakPolarHBondContact CB-O 3.49Å; F386-L545 HydrophobicContact CB-CD2 4.13Å
387	R	92.7	Very high	90.2	Very high	62 Å²	62	46.2 Å²	46.2	23%	0.234	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	143.2	178.8	-65.5	-175.6	76.5	-176.3	5.1	111	S419 F558	R387-S419 PolarHBondContact NH2-O 2.88Å; R387-F558 HydrophobicContact CG-CE1 4.11Å; R387-F558 HydrophobicContact CG-CE2 3.9Å; R387-F558 HydrophobicContact CG-CZ 3.56Å
388	A	91.6	Very high	91.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.			trans	-106.8	67.2	177	0	0	0	0	0	108.8	I393 L421 F459 L509	A388-I393 HydrophobicContact CB-CD1 4.06Å; A388-I393 HydrophobicContact CB-CG2 4.29Å; A388-I393 WeakPolarHBondContact O-CG2 3.22Å; A388-L421 HydrophobicContact CB-CB 4.3Å; A388-L421 PolarHBondContact N-O 2.96Å; A388-F459 HydrophobicContact CB-CE2 4.45Å; A388-F459 HydrophobicContact CB-CZ 4.38Å; A388-L509 HydrophobicContact CB-CD1 3.72Å; A388-L509 HydrophobicContact CB-CD2 4.13Å
389	N	89.7	Confident	92.4	Very high	82 Å²	82	41.2 Å²	41.2	44%	0.439	22%	0.221	S	C	.	.			trans	-116.1	13.7	-168.6	69.3	-26.1	0	0	0	114.4
390	T	91.3	Very high	92.7	Very high	37 Å²	37	36.7 Å²	36.7	23%	0.227	20%	0.202	C	C	.	.			trans	-59.7	138.8	172.6	-60.6	0	0	0	0	109.7	T392 I393 L394 Q540	T390-T392 WeakPolarHBondContact CG2-OG1 3.42Å; T390-T392 PolarHBondContact O-N 3.17Å; T390-I393 WeakPolarHBondContact O-CA 3.1Å; T390-I393 WeakPolarHBondContact O-CB 3.43Å; T390-I393 PolarHBondContact O-N 2.99Å; T390-L394 PolarHBondContact O-N 3.41Å; T390-Q540 PolarHBondContact OG1-OE1 3.03Å
391	P	90.8	Very high	92.8	Very high	103 Å²	103	37.6 Å²	37.6	67%	0.669	20%	0.203	S	C	*	.	H	α-helix	trans	-54.4	-31.4	-176.7	-30.4	36.6	0	0	0	115.2	L394 S395	P391-L394 PolarHBondContact O-N 3.05Å; P391-S395 WeakPolarHBondContact O-CB 3.39Å; P391-S395 PolarHBondContact O-N 2.97Å
392	T	91.9	Very high	92.9	Very high	64 Å²	64	41.8 Å²	41.8	39%	0.393	22%	0.219	S	C	.	.	H	α-helix	trans	-63.1	-39.3	173.3	55.1	0	0	0	0	112.6	T390 C396 F537	T390-T392 WeakPolarHBondContact CG2-OG1 3.42Å; T390-T392 PolarHBondContact O-N 3.17Å; T392-C396 VanDerWaalsContact O-CB 3.28Å; T392-C396 WeakPolarHBondContact O-CB 3.27Å; T392-C396 PolarHBondContact O-N 3.39Å; T392-C396 PolarHBondContact O-SG 2.9Å; T392-F537 WeakPolarHBondContact CB-O 3.24Å; T392-F537 PolarHBondContact OG1-O 3.04Å
393	I	92.6	Very high	92.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-67.2	-46.6	176.8	-64.9	175.4	0	0	0	110	A388 T390 S395 C396 F397 L421 F459 F537 Q540	A388-I393 HydrophobicContact CB-CD1 4.06Å; A388-I393 HydrophobicContact CB-CG2 4.29Å; A388-I393 WeakPolarHBondContact O-CG2 3.22Å; T390-I393 WeakPolarHBondContact O-CA 3.1Å; T390-I393 WeakPolarHBondContact O-CB 3.43Å; T390-I393 PolarHBondContact O-N 2.99Å; I393-S395 VanDerWaalsContact C-N 3.35Å; I393-S395 PolarHBondContact O-N 3.4Å; I393-C396 PolarHBondContact O-N 3.43Å; I393-F397 WeakPolarHBondContact O-CB 3.2Å; I393-F397 PolarHBondContact O-N 3.24Å; I393-L421 HydrophobicContact CG2-CD1 4.2Å; I393-F459 HydrophobicContact CD1-CD2 4.09Å; I393-F459 HydrophobicContact CD1-CE2 3.81Å; I393-F537 HydrophobicContact CB-CD1 4.22Å; I393-F537 HydrophobicContact CG1-CB 4.24Å; I393-F537 HydrophobicContact CG1-CD1 4.25Å; I393-F537 VanDerWaalsContact CG1-O 3.23Å; I393-F537 WeakPolarHBondContact CG1-O 3.18Å; I393-F537 HydrophobicContact CG2-CD1 3.95Å; I393-F537 HydrophobicContact CG2-CE1 4.38Å; I393-Q540 HydrophobicContact CD1-CB 4.02Å; I393-Q540 HydrophobicContact CD1-CG 4.33Å
394	L	92.7	Very high	92.5	Very high	52 Å²	52	44 Å²	44	27%	0.272	23%	0.23	S	C	.	.	H	α-helix	trans	-62.8	-42.1	-178.9	-58.6	177.1	0	0	0	111.4	T390 P391 Q398 A418 L421	T390-L394 PolarHBondContact O-N 3.41Å; P391-L394 PolarHBondContact O-N 3.05Å; L394-Q398 WeakPolarHBondContact O-CG 3.47Å; L394-Q398 PolarHBondContact O-N 3.02Å; L394-Q398 VanDerWaalsContact O-N 3.13Å; L394-A418 HydrophobicContact CD2-CB 4.1Å; L394-L421 HydrophobicContact CD2-CD1 4.22Å
395	S	93.2	Very high	92.4	Very high	50 Å²	50	45.8 Å²	45.8	35%	0.35	24%	0.241	S	C	.	.	H	α-helix	trans	-71.1	-43.3	177	-179.4	0	0	0	0	113	P391 I393 F397 Q398 Q399	P391-S395 WeakPolarHBondContact O-CB 3.39Å; P391-S395 PolarHBondContact O-N 2.97Å; I393-S395 VanDerWaalsContact C-N 3.35Å; I393-S395 PolarHBondContact O-N 3.4Å; S395-F397 VanDerWaalsContact C-N 3.29Å; S395-F397 PolarHBondContact O-N 2.82Å; S395-Q398 PolarHBondContact O-N 2.81Å; S395-Q399 WeakPolarHBondContact O-CG 3.34Å; S395-Q399 PolarHBondContact O-N 2.93Å; S395-Q399 VanDerWaalsContact O-N 3.08Å
396	C	92.4	Very high	92.2	Very high	12 Å²	12	49.7 Å²	49.7	8%	0.081	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-32.3	175.2	-68.2	0	0	0	0	112	T392 I393 L400 N536 F537	T392-C396 VanDerWaalsContact O-CB 3.28Å; T392-C396 WeakPolarHBondContact O-CB 3.27Å; T392-C396 PolarHBondContact O-N 3.39Å; T392-C396 PolarHBondContact O-SG 2.9Å; I393-C396 PolarHBondContact O-N 3.43Å; C396-L400 WeakPolarHBondContact O-CB 3.11Å; C396-L400 PolarHBondContact O-N 2.89Å; C396-N536 VanDerWaalsContact SG-C 3.53Å; C396-N536 PolarHBondContact SG-O 3.39Å; C396-N536 VanDerWaalsContact SG-O 3.37Å; C396-F537 HydrophobicContact CB-CD1 3.93Å; C396-F537 HydrophobicContact CB-CD2 3.78Å; C396-F537 HydrophobicContact CB-CE1 3.83Å; C396-F537 HydrophobicContact CB-CE2 3.68Å; C396-F537 HydrophobicContact CB-CG 3.89Å; C396-F537 HydrophobicContact CB-CZ 3.69Å
397	F	93.6	Very high	92	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.009	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-48.2	174.3	175	-102.3	0	0	0	111.4	I393 S395 L400 Q401 W415 Q416 A418 L421 L511 F537	I393-F397 WeakPolarHBondContact O-CB 3.2Å; I393-F397 PolarHBondContact O-N 3.24Å; S395-F397 VanDerWaalsContact C-N 3.29Å; S395-F397 PolarHBondContact O-N 2.82Å; F397-L400 PolarHBondContact O-N 2.96Å; F397-Q401 VanDerWaalsContact O-CB 3.24Å; F397-Q401 WeakPolarHBondContact O-CB 3.34Å; F397-Q401 PolarHBondContact O-N 2.99Å; F397-W415 HydrophobicContact CD2-CZ3 4.33Å; F397-W415 AromaticContact CE2-CE3 3.65Å; F397-W415 HydrophobicContact CE2-CE3 3.65Å; F397-W415 AromaticContact CE2-CZ3 3.67Å; F397-W415 HydrophobicContact CE2-CZ3 3.67Å; F397-W415 AromaticContact CZ-CE3 3.68Å; F397-W415 HydrophobicContact CZ-CE3 3.68Å; F397-W415 HydrophobicContact CZ-CZ3 4.15Å; F397-Q416 WeakPolarHBondContact CZ-O 3.27Å; F397-A418 HydrophobicContact CD1-CB 3.87Å; F397-A418 HydrophobicContact CE1-CB 3.98Å; F397-L421 HydrophobicContact CB-CD1 3.98Å; F397-L421 HydrophobicContact CD1-CD1 4.02Å; F397-L421 HydrophobicContact CD2-CD1 3.89Å; F397-L421 HydrophobicContact CD2-CD2 3.93Å; F397-L421 HydrophobicContact CE2-CD1 4.4Å; F397-L421 HydrophobicContact CE2-CD2 3.82Å; F397-L421 HydrophobicContact CG-CD1 3.68Å; F397-L421 HydrophobicContact CZ-CD2 4.34Å; F397-L511 HydrophobicContact CD2-CD2 4Å; F397-L511 HydrophobicContact CE2-CB 4.22Å; F397-L511 HydrophobicContact CE2-CD2 4.15Å; F397-F537 HydrophobicContact CB-CE1 4.26Å
398	Q	93.1	Very high	91.8	Very high	103 Å²	103	53.3 Å²	53.3	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-60.2	-47.1	176.7	-72.9	169.5	-33.5	0	0	111.7	L394 S395 L400 Q401 E402	L394-Q398 WeakPolarHBondContact O-CG 3.47Å; L394-Q398 PolarHBondContact O-N 3.02Å; L394-Q398 VanDerWaalsContact O-N 3.13Å; S395-Q398 PolarHBondContact O-N 2.81Å; Q398-L400 PolarHBondContact O-N 2.96Å; Q398-Q401 WeakPolarHBondContact O-CB 3.38Å; Q398-Q401 PolarHBondContact O-N 3.39Å; Q398-E402 WeakPolarHBondContact O-CG 3.21Å; Q398-E402 PolarHBondContact O-N 2.87Å
399	Q	92.8	Very high	91.6	Very high	86 Å²	86	57.8 Å²	57.8	40%	0.402	33%	0.325	S	S	.	.	H	α-helix	trans	-63.2	-42.4	177.8	-70.6	169.2	-7.8	0	0	112.4	S395 E402 E403 L535	S395-Q399 WeakPolarHBondContact O-CG 3.34Å; S395-Q399 PolarHBondContact O-N 2.93Å; S395-Q399 VanDerWaalsContact O-N 3.08Å; Q399-E402 PolarHBondContact O-N 2.8Å; Q399-E403 WeakPolarHBondContact O-CG 3.24Å; Q399-E403 PolarHBondContact O-N 2.76Å; Q399-L535 HydrophobicContact CB-CD1 4.22Å; Q399-L535 HydrophobicContact CB-CD2 4Å
400	L	92.3	Very high	91.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.7	-36.4	175.9	-178.2	59.3	0	0	0	112.3	C396 F397 Q398 L404 V461 L463 L511 V531 L535 F537	C396-L400 WeakPolarHBondContact O-CB 3.11Å; C396-L400 PolarHBondContact O-N 2.89Å; F397-L400 PolarHBondContact O-N 2.96Å; Q398-L400 PolarHBondContact O-N 2.96Å; L400-L404 HydrophobicContact CD1-CD1 3.92Å; L400-L404 HydrophobicContact CD1-CG 4.34Å; L400-L404 HydrophobicContact CG-CD1 4.1Å; L400-L404 WeakPolarHBondContact O-CB 3.18Å; L400-L404 PolarHBondContact O-N 3.46Å; L400-V461 HydrophobicContact CD1-CG1 4.18Å; L400-V461 HydrophobicContact CD2-CG1 4.15Å; L400-L463 HydrophobicContact CD1-CD2 4.45Å; L400-L463 HydrophobicContact CD2-CD2 4.15Å; L400-L511 HydrophobicContact CD2-CD1 3.61Å; L400-V531 HydrophobicContact CD1-CG2 4.32Å; L400-L535 HydrophobicContact CB-CD1 3.81Å; L400-L535 HydrophobicContact CD1-CD1 4.45Å; L400-F537 HydrophobicContact CB-CZ 4.48Å; L400-F537 HydrophobicContact CD2-CE2 4.08Å; L400-F537 HydrophobicContact CD2-CZ 3.76Å
401	Q	93.1	Very high	91.4	Very high	58 Å²	58	54.8 Å²	54.8	27%	0.271	31%	0.312	S	S	.	.	H	α-helix	trans	-64.8	-44.6	174.2	174.9	173	16.6	0	0	111.2	F397 Q398 T405 W415	F397-Q401 VanDerWaalsContact O-CB 3.24Å; F397-Q401 WeakPolarHBondContact O-CB 3.34Å; F397-Q401 PolarHBondContact O-N 2.99Å; Q398-Q401 WeakPolarHBondContact O-CB 3.38Å; Q398-Q401 PolarHBondContact O-N 3.39Å; Q401-T405 WeakPolarHBondContact O-CB 3.2Å; Q401-T405 PolarHBondContact O-N 2.99Å; Q401-T405 PolarHBondContact O-OG1 2.86Å; Q401-W415 HydrophobicContact CB-CD2 4.04Å; Q401-W415 HydrophobicContact CB-CE3 3.88Å; Q401-W415 HydrophobicContact CB-CH2 4.13Å; Q401-W415 HydrophobicContact CB-CZ2 4.29Å; Q401-W415 HydrophobicContact CB-CZ3 3.9Å; Q401-W415 HydrophobicContact CG-CD2 3.61Å; Q401-W415 HydrophobicContact CG-CE3 3.92Å; Q401-W415 HydrophobicContact CG-CG 3.86Å; Q401-W415 HydrophobicContact CG-CZ2 4.42Å; Q401-W415 HydrophobicContact CG-CZ3 4.41Å; Q401-W415 VanDerWaalsContact NE2-CB 3.3Å
402	E	92.6	Very high	91.2	Very high	135 Å²	135	52.2 Å²	52.2	63%	0.631	30%	0.299	S	S	*	.	H	α-helix	trans	-63.1	-49.5	175.7	-73.2	170	-163.1	0	0	111.5	Q398 Q399 T405 A406	Q398-E402 WeakPolarHBondContact O-CG 3.21Å; Q398-E402 PolarHBondContact O-N 2.87Å; Q399-E402 PolarHBondContact O-N 2.8Å; E402-T405 PolarHBondContact O-N 3.35Å; E402-A406 WeakPolarHBondContact O-CB 3.28Å; E402-A406 PolarHBondContact O-N 3.25Å
403	E	92.2	Very high	91.1	Very high	74 Å²	74	54 Å²	54	35%	0.346	31%	0.312	S	S	.	.	H	α-helix	trans	-59.4	-47.7	177.5	-78.4	-173.3	-156.8	0	0	112.8	Q399 A406 L407 V531 G532	Q399-E403 WeakPolarHBondContact O-CG 3.24Å; Q399-E403 PolarHBondContact O-N 2.76Å; E403-A406 PolarHBondContact O-N 2.86Å; E403-L407 PolarHBondContact O-N 2.93Å; E403-V531 HydrophobicContact CB-CB 4.5Å; E403-V531 HydrophobicContact CB-CG1 4.32Å; E403-V531 WeakPolarHBondContact OE2-CA 3.3Å; E403-G532 PolarHBondContact OE2-N 3.22Å
404	L	90.7	Very high	91.1	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-70.4	-37.8	179.7	-86.5	166.4	0	0	0	112.5	L400 A406 L407 L408 W415 L463 L471 L529 V531	L400-L404 HydrophobicContact CD1-CD1 3.92Å; L400-L404 HydrophobicContact CD1-CG 4.34Å; L400-L404 HydrophobicContact CG-CD1 4.1Å; L400-L404 WeakPolarHBondContact O-CB 3.18Å; L400-L404 PolarHBondContact O-N 3.46Å; L404-A406 VanDerWaalsContact C-N 3.26Å; L404-A406 PolarHBondContact O-N 2.82Å; L404-L407 PolarHBondContact O-N 3.27Å; L404-L408 WeakPolarHBondContact O-CA 3.4Å; L404-L408 PolarHBondContact O-N 2.87Å; L404-W415 HydrophobicContact CB-CH2 4.33Å; L404-W415 HydrophobicContact CB-CZ2 3.73Å; L404-W415 HydrophobicContact CD1-CH2 3.66Å; L404-W415 HydrophobicContact CD1-CZ2 3.76Å; L404-W415 HydrophobicContact CG-CZ2 4.43Å; L404-L463 HydrophobicContact CD1-CD1 3.81Å; L404-L463 HydrophobicContact CD1-CD2 4.23Å; L404-L463 HydrophobicContact CD2-CD1 4.01Å; L404-L463 HydrophobicContact CG-CD1 4.32Å; L404-L471 HydrophobicContact CD1-CD2 3.86Å; L404-L529 HydrophobicContact CD2-CD1 3.87Å; L404-V531 HydrophobicContact CD2-CG1 4.25Å; L404-V531 HydrophobicContact CD2-CG2 3.97Å; L404-V531 HydrophobicContact CG-CG1 4.38Å; L404-V531 HydrophobicContact CG-CG2 4.11Å
405	T	92.1	Very high	91	Very high	37 Å²	37	53.8 Å²	53.8	23%	0.227	31%	0.309	C	S	.	.	H	α-helix	trans	-67.6	-30.1	177.9	-55.3	0	0	0	0	111.4	Q401 E402 L407 L408 P409 A412 W415	Q401-T405 WeakPolarHBondContact O-CB 3.2Å; Q401-T405 PolarHBondContact O-N 2.99Å; Q401-T405 PolarHBondContact O-OG1 2.86Å; E402-T405 PolarHBondContact O-N 3.35Å; T405-L407 VanDerWaalsContact C-N 3.35Å; T405-L408 CarbonylContact O-C 3.54Å; T405-P409 WeakPolarHBondContact O-CA 3.36Å; T405-A412 HydrophobicContact CG2-CB 3.87Å; T405-W415 PolarHBondContact OG1-NE1 3.46Å
406	A	91.9	Very high	90.9	Very high	82 Å²	82	53 Å²	53	68%	0.678	30%	0.3	S	S	*	.	H	α-helix	trans	-69.3	-27.7	173.6	0	0	0	0	0	113.8	E402 E403 L404	E402-A406 WeakPolarHBondContact O-CB 3.28Å; E402-A406 PolarHBondContact O-N 3.25Å; E403-A406 PolarHBondContact O-N 2.86Å; L404-A406 VanDerWaalsContact C-N 3.26Å; L404-A406 PolarHBondContact O-N 2.82Å
407	L	88.9	Confident	90.8	Very high	98 Å²	98	54.8 Å²	54.8	51%	0.513	32%	0.315	S	S	.	.	H	α-helix	trans	-93.8	-34.5	175.8	-62.4	-174.7	0	0	0	113.4	E403 L404 T405 L529 V531	E403-L407 PolarHBondContact O-N 2.93Å; L404-L407 PolarHBondContact O-N 3.27Å; T405-L407 VanDerWaalsContact C-N 3.35Å; L407-L529 HydrophobicContact CD1-CD2 4.42Å; L407-V531 HydrophobicContact CD1-CG1 3.44Å; L407-V531 VanDerWaalsContact CD1-CG1 3.44Å; L407-V531 HydrophobicContact CG-CG1 4.45Å
408	L	87.8	Confident	90.6	Very high	42 Å²	42	56 Å²	56	22%	0.22	33%	0.326	C	S	.	.			trans	-127.2	81.7	179.6	-65.9	179.5	0	0	0	109.7	L404 T405 S410 S411 V526 L529	L404-L408 WeakPolarHBondContact O-CA 3.4Å; L404-L408 PolarHBondContact O-N 2.87Å; T405-L408 CarbonylContact O-C 3.54Å; L408-S410 PolarHBondContact O-N 3.5Å; L408-S410 VanDerWaalsContact O-N 3.16Å; L408-S411 WeakPolarHBondContact O-CB 3.05Å; L408-S411 PolarHBondContact O-N 2.71Å; L408-S411 PolarHBondContact O-OG 3.16Å; L408-V526 HydrophobicContact CD1-CG1 4.02Å; L408-L529 HydrophobicContact CD1-CD1 3.65Å; L408-L529 HydrophobicContact CG-CD1 4.02Å
409	P	88.2	Confident	90.4	Very high	93 Å²	93	53.2 Å²	53.2	60%	0.604	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-59.3	-27.6	179.3	-26.6	36.2	0	0	0	113.8	T405 S411 A412	T405-P409 WeakPolarHBondContact O-CA 3.36Å; P409-S411 PolarHBondContact O-N 3.18Å; P409-A412 VanDerWaalsContact O-CB 3.27Å; P409-A412 WeakPolarHBondContact O-CB 3.48Å; P409-A412 PolarHBondContact O-N 3.4Å
410	S	87.6	Confident	90.3	Very high	55 Å²	55	51 Å²	51	39%	0.385	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-63	-18.2	173.1	46.2	0	0	0	0	113.8	L408 A412 P413 H414	L408-S410 PolarHBondContact O-N 3.5Å; L408-S410 VanDerWaalsContact O-N 3.16Å; S410-A412 VanDerWaalsContact C-N 3.3Å; S410-A412 PolarHBondContact O-N 3.22Å; S410-P413 WeakPolarHBondContact O-CD 3.33Å; S410-H414 PolarHBondContact O-CD2 3.43Å
411	S	88.6	Confident	90.4	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.007	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-72.2	-22.2	174.4	69.6	0	0	0	0	113.6	L408 P409 H414 W415	L408-S411 WeakPolarHBondContact O-CB 3.05Å; L408-S411 PolarHBondContact O-N 2.71Å; L408-S411 PolarHBondContact O-OG 3.16Å; P409-S411 PolarHBondContact O-N 3.18Å; S411-H414 PolarHBondContact O-N 2.69Å; S411-W415 PolarHBondContact O-NE1 3.37Å; S411-W415 PolarHBondContact OG-NE1 3.13Å
412	A	87.9	Confident	90.4	Very high	49 Å²	49	49.3 Å²	49.3	41%	0.405	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-48.1	-49.8	-170.3	0	0	0	0	0	115.8	T405 P409 S410 H414	T405-A412 HydrophobicContact CG2-CB 3.87Å; P409-A412 VanDerWaalsContact O-CB 3.27Å; P409-A412 WeakPolarHBondContact O-CB 3.48Å; P409-A412 PolarHBondContact O-N 3.4Å; S410-A412 VanDerWaalsContact C-N 3.3Å; S410-A412 PolarHBondContact O-N 3.22Å; A412-H414 VanDerWaalsContact C-N 3.27Å; A412-H414 PolarHBondContact O-N 3.17Å
413	P	89.8	Confident	90.5	Very high	102 Å²	102	42.9 Å²	42.9	66%	0.662	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-74.8	-13.4	-178.2	31.4	-36.9	0	0	0	114.1	S410	S410-P413 WeakPolarHBondContact O-CD 3.33Å
414	H	91.3	Very high	90.7	Very high	25 Å²	25	40.8 Å²	40.8	12%	0.116	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-95.4	-6.4	-171.6	-60.8	-52.4	0	0	0	113.7	S410 S411 A412 A512 K513 D516 I522 F523	S410-H414 PolarHBondContact O-CD2 3.43Å; S411-H414 PolarHBondContact O-N 2.69Å; A412-H414 VanDerWaalsContact C-N 3.27Å; A412-H414 PolarHBondContact O-N 3.17Å; H414-A512 CarbonylContact O-C 3.57Å; H414-A512 WeakPolarHBondContact O-CA 3.47Å; H414-A512 VanDerWaalsContact O-CB 3.31Å; H414-A512 WeakPolarHBondContact O-CB 3.4Å; H414-K513 WeakPolarHBondContact CB-O 3.41Å; H414-K513 PolarHBondContact O-N 3.38Å; H414-D516 IonicContact CE1-OD2 3.56Å; H414-I522 WeakPolarHBondContact NE2-CD1 3.24Å; H414-F523 HydrophobicContact CB-CE2 4.36Å; H414-F523 HydrophobicContact CB-CZ 4.2Å
415	W	91.8	Very high	90.8	Very high	23 Å²	23	40.7 Å²	40.7	9%	0.087	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-66.6	133.6	179.7	-76.5	93.9	0	0	0	112.5	F397 Q401 L404 T405 S411 L471 L511 A512	F397-W415 HydrophobicContact CD2-CZ3 4.33Å; F397-W415 AromaticContact CE2-CE3 3.65Å; F397-W415 HydrophobicContact CE2-CE3 3.65Å; F397-W415 AromaticContact CE2-CZ3 3.67Å; F397-W415 HydrophobicContact CE2-CZ3 3.67Å; F397-W415 AromaticContact CZ-CE3 3.68Å; F397-W415 HydrophobicContact CZ-CE3 3.68Å; F397-W415 HydrophobicContact CZ-CZ3 4.15Å; Q401-W415 HydrophobicContact CB-CD2 4.04Å; Q401-W415 HydrophobicContact CB-CE3 3.88Å; Q401-W415 HydrophobicContact CB-CH2 4.13Å; Q401-W415 HydrophobicContact CB-CZ2 4.29Å; Q401-W415 HydrophobicContact CB-CZ3 3.9Å; Q401-W415 HydrophobicContact CG-CD2 3.61Å; Q401-W415 HydrophobicContact CG-CE3 3.92Å; Q401-W415 HydrophobicContact CG-CG 3.86Å; Q401-W415 HydrophobicContact CG-CZ2 4.42Å; Q401-W415 HydrophobicContact CG-CZ3 4.41Å; Q401-W415 VanDerWaalsContact NE2-CB 3.3Å; L404-W415 HydrophobicContact CB-CH2 4.33Å; L404-W415 HydrophobicContact CB-CZ2 3.73Å; L404-W415 HydrophobicContact CD1-CH2 3.66Å; L404-W415 HydrophobicContact CD1-CZ2 3.76Å; L404-W415 HydrophobicContact CG-CZ2 4.43Å; T405-W415 PolarHBondContact OG1-NE1 3.46Å; S411-W415 PolarHBondContact O-NE1 3.37Å; S411-W415 PolarHBondContact OG-NE1 3.13Å; W415-L471 HydrophobicContact CH2-CD2 3.95Å; W415-L471 HydrophobicContact CZ2-CD2 4.23Å; W415-L511 HydrophobicContact CE3-CB 4.41Å; W415-L511 HydrophobicContact CZ3-CB 3.83Å; W415-L511 HydrophobicContact CZ3-CD1 4.38Å; W415-A512 HydrophobicContact CD2-CB 4.18Å; W415-A512 HydrophobicContact CE3-CB 4.33Å; W415-A512 HydrophobicContact CG-CB 4.42Å
416	Q	90.6	Very high	90.8	Very high	35 Å²	35	38.9 Å²	38.9	16%	0.164	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-72.5	146.6	174	-65.8	-60	-53.1	0	0	110.6	F397 A418 T510 L511	F397-Q416 WeakPolarHBondContact CZ-O 3.27Å; Q416-A418 PolarHBondContact O-N 3.37Å; Q416-T510 HydrophobicContact CG-CG2 4.3Å; Q416-L511 WeakPolarHBondContact CB-O 3.26Å; Q416-L511 PolarHBondContact N-O 3.33Å
417	A	90	Very high	91	Very high	48 Å²	48	36.9 Å²	36.9	40%	0.397	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-62.5	138.9	171.8	0	0	0	0	0	110.1	S419 K420	A417-S419 PolarHBondContact O-N 2.72Å; A417-K420 HydrophobicContact CB-CD 4.4Å; A417-K420 HydrophobicContact CB-CG 4.25Å; A417-K420 WeakPolarHBondContact O-CA 3.44Å; A417-K420 WeakPolarHBondContact O-CB 3.38Å; A417-K420 PolarHBondContact O-N 2.67Å
418	A	89.6	Confident	91.2	Very high	29 Å²	29	32.2 Å²	32.2	24%	0.24	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-58.3	-23.7	-178.6	0	0	0	0	0	113.3	L394 F397 Q416 K420 L421	L394-A418 HydrophobicContact CD2-CB 4.1Å; F397-A418 HydrophobicContact CD1-CB 3.87Å; F397-A418 HydrophobicContact CE1-CB 3.98Å; Q416-A418 PolarHBondContact O-N 3.37Å; A418-K420 VanDerWaalsContact C-N 3.34Å; A418-L421 HydrophobicContact CB-CD1 4.4Å; A418-L421 WeakPolarHBondContact O-CG 3.21Å
419	S	89.4	Confident	91.5	Very high	43 Å²	43	31 Å²	31	30%	0.301	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-64.2	-32.7	170.7	53.3	0	0	0	0	113.7	R387 A417 L421 G557 F558	R387-S419 PolarHBondContact NH2-O 2.88Å; A417-S419 PolarHBondContact O-N 2.72Å; S419-L421 VanDerWaalsContact C-N 3.35Å; S419-G557 VanDerWaalsContact CB-O 3.26Å; S419-G557 WeakPolarHBondContact CB-O 3.4Å; S419-G557 PolarHBondContact OG-O 3.47Å; S419-F558 WeakPolarHBondContact O-CD2 3.45Å
420	K	90.4	Very high	91.7	Very high	41 Å²	41	26.8 Å²	26.8	18%	0.178	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-79	-9	-178.2	-65.9	-175.1	176.6	-171.3	0	114.3	A417 A418 H422 E554 G557 Y559	A417-K420 HydrophobicContact CB-CD 4.4Å; A417-K420 HydrophobicContact CB-CG 4.25Å; A417-K420 WeakPolarHBondContact O-CA 3.44Å; A417-K420 WeakPolarHBondContact O-CB 3.38Å; A417-K420 PolarHBondContact O-N 2.67Å; A418-K420 VanDerWaalsContact C-N 3.34Å; K420-H422 PolarHBondContact O-N 3.3Å; K420-H422 VanDerWaalsContact O-N 3.14Å; K420-H422 PolarHBondContact O-ND1 3.29Å; K420-E554 VanDerWaalsContact CE-OE1 3.31Å; K420-E554 WeakPolarHBondContact CE-OE1 3.2Å; K420-E554 WeakPolarHBondContact CE-OE2 3.11Å; K420-E554 IonicContact NZ-OE1 3.74Å; K420-E554 PolarHBondContact NZ-OE1 3.41Å; K420-E554 IonicContact NZ-OE2 2.69Å; K420-E554 PolarHBondContact NZ-OE2 3.02Å; K420-G557 WeakPolarHBondContact CG-O 3.31Å; K420-Y559 HydrophobicContact CB-CE2 4.48Å
421	L	93.4	Very high	91.8	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	18%	0.183	C	C	.	.			trans	-60	115.1	-176.6	-67.8	175.9	0	0	0	112	A388 I393 L394 F397 A418 S419 L509 L511	A388-L421 HydrophobicContact CB-CB 4.3Å; A388-L421 PolarHBondContact N-O 2.96Å; I393-L421 HydrophobicContact CG2-CD1 4.2Å; L394-L421 HydrophobicContact CD2-CD1 4.22Å; F397-L421 HydrophobicContact CB-CD1 3.98Å; F397-L421 HydrophobicContact CD1-CD1 4.02Å; F397-L421 HydrophobicContact CD2-CD1 3.89Å; F397-L421 HydrophobicContact CD2-CD2 3.93Å; F397-L421 HydrophobicContact CE2-CD1 4.4Å; F397-L421 HydrophobicContact CE2-CD2 3.82Å; F397-L421 HydrophobicContact CG-CD1 3.68Å; F397-L421 HydrophobicContact CZ-CD2 4.34Å; A418-L421 HydrophobicContact CB-CD1 4.4Å; A418-L421 WeakPolarHBondContact O-CG 3.21Å; S419-L421 VanDerWaalsContact C-N 3.35Å; L421-L509 HydrophobicContact CB-CD1 4.12Å; L421-L509 HydrophobicContact CD2-CD1 4.13Å; L421-L511 HydrophobicContact CD2-CD2 4.38Å
422	H	94.2	Very high	91.8	Very high	18 Å²	18	33.7 Å²	33.7	8%	0.083	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	163.2	-173.3	75.8	-88.7	0	0	0	111.2	F383 T385 F386 K420 T424 L509 F558 Y559	F383-H422 AromaticContact CE2-CD2 3.78Å; F383-H422 AromaticContact CE2-NE2 3.7Å; T385-H422 WeakPolarHBondContact OG1-CB 3.28Å; T385-H422 PolarHBondContact OG1-CD2 3.07Å; T385-H422 VanDerWaalsContact OG1-CD2 3.23Å; F386-H422 WeakPolarHBondContact O-CA 3.38Å; F386-H422 WeakPolarHBondContact O-CB 3.46Å; K420-H422 PolarHBondContact O-N 3.3Å; K420-H422 VanDerWaalsContact O-N 3.14Å; K420-H422 PolarHBondContact O-ND1 3.29Å; H422-T424 PolarHBondContact CD2-OG1 3.29Å; H422-T424 PolarHBondContact NE2-OG1 3.06Å; H422-L509 VanDerWaalsContact O-CD1 3.29Å; H422-L509 WeakPolarHBondContact O-CD1 3.35Å; H422-F558 HydrophobicContact CB-CE2 4.09Å; H422-F558 HydrophobicContact CB-CZ 4.26Å; H422-Y559 AromaticContact CE1-CE2 3.48Å; H422-Y559 VanDerWaalsContact CE1-CE2 3.48Å; H422-Y559 WeakPolarHBondContact CE1-CE2 3.47Å; H422-Y559 AromaticContact CE1-CZ 3.81Å; H422-Y559 AromaticContact ND1-CE2 3.52Å
423	V	95	Very high	92	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	109.6	173.7	176.7	0	0	0	0	108.6	T385 F386 F459 P475 L481 L509	T385-V423 WeakPolarHBondContact CA-O 3.34Å; T385-V423 VanDerWaalsContact OG1-C 3.29Å; T385-V423 PolarHBondContact OG1-N 2.81Å; T385-V423 PolarHBondContact OG1-O 2.69Å; F386-V423 HydrophobicContact CD1-CB 4.07Å; F386-V423 HydrophobicContact CD1-CG1 4.47Å; F386-V423 HydrophobicContact CE1-CB 3.45Å; F386-V423 VanDerWaalsContact CE1-CB 3.45Å; F386-V423 HydrophobicContact CE1-CG1 3.57Å; F386-V423 HydrophobicContact CE1-CG2 4.24Å; F386-V423 HydrophobicContact CE2-CB 4.07Å; F386-V423 HydrophobicContact CE2-CG2 4.07Å; F386-V423 HydrophobicContact CZ-CB 3.46Å; F386-V423 VanDerWaalsContact CZ-CB 3.46Å; F386-V423 HydrophobicContact CZ-CG1 3.78Å; F386-V423 HydrophobicContact CZ-CG2 3.72Å; F386-V423 PolarHBondContact N-O 2.91Å; F386-V423 PolarHBondContact O-N 2.97Å; V423-F459 HydrophobicContact CG2-CE1 3.73Å; V423-F459 HydrophobicContact CG2-CZ 3.85Å; V423-P475 HydrophobicContact CG1-CG 4.34Å; V423-L481 HydrophobicContact CG1-CD2 4.29Å; V423-L509 HydrophobicContact CG2-CB 3.9Å; V423-L509 HydrophobicContact CG2-CD1 4.29Å
424	T	94.9	Very high	92.2	Very high	30 Å²	30	35.8 Å²	35.8	18%	0.184	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	129.7	178.2	-71.1	0	0	0	0	110.4	F383 H422 L427	F383-T424 HydrophobicContact CB-CG2 4.28Å; F383-T424 HydrophobicContact CD2-CG2 4.2Å; F383-T424 WeakPolarHBondContact CD2-OG1 3.14Å; H422-T424 PolarHBondContact CD2-OG1 3.29Å; H422-T424 PolarHBondContact NE2-OG1 3.06Å; T424-L427 HydrophobicContact CG2-CD2 3.84Å; T424-L427 HydrophobicContact CG2-CG 4.34Å
425	L	93.3	Very high	92.3	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-52.4	177.3	-61.3	-175.8	0	0	0	111.3	I384 F386 L481 N485 Y507 L545	I384-L425 HydrophobicContact CG2-CD1 4.34Å; I384-L425 PolarHBondContact O-N 3.42Å; F386-L425 HydrophobicContact CD1-CD1 4.48Å; F386-L425 HydrophobicContact CD1-CD2 4.01Å; F386-L425 HydrophobicContact CD1-CG 4.3Å; F386-L425 HydrophobicContact CE1-CD2 3.93Å; L425-L481 HydrophobicContact CD2-CD1 3.8Å; L425-L481 HydrophobicContact CD2-CD2 4.17Å; L425-L481 HydrophobicContact CD2-CG 3.88Å; L425-N485 PolarHBondContact O-ND2 2.92Å; L425-Y507 HydrophobicContact CD2-CD1 4.04Å; L425-Y507 HydrophobicContact CD2-CE1 3.94Å; L425-L545 HydrophobicContact CD1-CD1 4.42Å; L425-L545 HydrophobicContact CD1-CD2 3.7Å
426	C	93.2	Very high	92.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	149.8	175.6	48.7	0	0	0	0	112.5	F383 I384 N485 Q489 L498	F383-C426 CarbonylContact C-O 3.35Å; F383-C426 WeakPolarHBondContact CA-O 3.32Å; I384-C426 PolarHBondContact N-O 3.28Å; C426-N485 PolarHBondContact SG-OD1 2.79Å; C426-Q489 HydrophobicContact CB-CG 4.37Å; C426-L498 HydrophobicContact CB-CD1 3.84Å
427	L	94.6	Very high	92.6	Very high	39 Å²	39	37.8 Å²	37.8	20%	0.204	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.4	178.2	-60.5	174.5	0	0	0	109.9	P380 F383 T424 H499 S502	P380-L427 HydrophobicContact CB-CB 4.04Å; P380-L427 HydrophobicContact CB-CD1 4.35Å; P380-L427 HydrophobicContact CB-CD2 4.46Å; P380-L427 HydrophobicContact CG-CD1 4.41Å; F383-L427 HydrophobicContact CB-CD2 3.71Å; T424-L427 HydrophobicContact CG2-CD2 3.84Å; T424-L427 HydrophobicContact CG2-CG 4.34Å; L427-H499 HydrophobicContact CB-CB 3.82Å; L427-H499 VanDerWaalsContact O-CB 3.24Å; L427-H499 WeakPolarHBondContact O-CB 3.32Å; L427-H499 PolarHBondContact O-N 2.9Å; L427-S502 WeakPolarHBondContact CB-OG 3.48Å; L427-S502 PolarHBondContact N-OG 3.47Å
428	L	94.2	Very high	92.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.8	-175.1	-56.8	178.4	0	0	0	112	T381 H382 I384 L430 Y492 W497 L498 L547	T381-L428 PolarHBondContact N-O 3.03Å; T381-L428 PolarHBondContact OG1-O 3.04Å; H382-L428 HydrophobicContact CB-CB 4.21Å; H382-L428 PolarHBondContact N-O 2.95Å; H382-L428 VanDerWaalsContact N-O 3.17Å; H382-L428 PolarHBondContact O-N 2.72Å; I384-L428 HydrophobicContact CD1-CD1 4.16Å; I384-L428 HydrophobicContact CG1-CD1 4.22Å; L428-L430 HydrophobicContact CB-CD1 4.35Å; L428-L430 HydrophobicContact CB-CD2 4.41Å; L428-L430 HydrophobicContact CB-CG 4.07Å; L428-L430 HydrophobicContact CD1-CD1 4.27Å; L428-Y492 HydrophobicContact CD1-CD1 4.27Å; L428-Y492 HydrophobicContact CD1-CD2 4.27Å; L428-Y492 HydrophobicContact CD1-CE1 4.18Å; L428-Y492 HydrophobicContact CD1-CE2 4.18Å; L428-Y492 HydrophobicContact CD1-CG 4.32Å; L428-Y492 HydrophobicContact CD2-CD1 4.2Å; L428-Y492 HydrophobicContact CD2-CD2 3.74Å; L428-Y492 HydrophobicContact CD2-CE2 4.45Å; L428-Y492 HydrophobicContact CD2-CG 3.6Å; L428-W497 WeakPolarHBondContact CA-O 3.4Å; L428-L498 HydrophobicContact CD2-CD1 4.35Å; L428-L547 HydrophobicContact CD1-CD1 4.14Å
429	V	94.5	Very high	93.1	Very high	16 Å²	16	36 Å²	36	10%	0.097	22%	0.217	C	C	.	.			trans	-111.9	89.5	172.8	-170.9	0	0	0	0	109	K378 W497 H499	K378-V429 HydrophobicContact CB-CG1 4.14Å; K378-V429 HydrophobicContact CB-CG2 4.19Å; K378-V429 HydrophobicContact CD-CG1 4.14Å; V429-W497 PolarHBondContact N-O 2.88Å; V429-H499 HydrophobicContact CG2-CB 4.13Å
430	L	92.3	Very high	93.3	Very high	5 Å²	5	34 Å²	34	3%	0.026	20%	0.203	C	C	.	.			trans	-107.5	123.3	177.8	-48.1	174.3	0	0	0	107.6	T381 H382 L428 E435 V436 A439 W497	T381-L430 PolarHBondContact OG1-N 3.44Å; T381-L430 PolarHBondContact OG1-O 3.4Å; H382-L430 HydrophobicContact CB-CD1 3.97Å; H382-L430 HydrophobicContact CB-CG 4.46Å; L428-L430 HydrophobicContact CB-CD1 4.35Å; L428-L430 HydrophobicContact CB-CD2 4.41Å; L428-L430 HydrophobicContact CB-CG 4.07Å; L428-L430 HydrophobicContact CD1-CD1 4.27Å; L430-E435 WeakPolarHBondContact CA-OE2 3.47Å; L430-E435 HydrophobicContact CB-CB 4.23Å; L430-E435 HydrophobicContact CD2-CB 4.2Å; L430-V436 HydrophobicContact CB-CG2 3.87Å; L430-V436 HydrophobicContact CD1-CG2 4.02Å; L430-A439 HydrophobicContact CD1-CB 3.66Å; L430-A439 HydrophobicContact CD2-CB 4.15Å; L430-W497 HydrophobicContact CD2-CB 3.61Å; L430-W497 HydrophobicContact CD2-CD2 3.56Å; L430-W497 HydrophobicContact CD2-CE3 3.83Å; L430-W497 HydrophobicContact CD2-CG 3.44Å; L430-W497 VanDerWaalsContact CD2-CG 3.44Å
431	R	88.7	Confident	93.6	Very high	177 Å²	177	35.5 Å²	35.5	67%	0.668	21%	0.211	S	C	*	.			trans	-95.1	-14.4	-172	-61.3	-167.7	-173.2	93.6	-22.1	114.6	E435	R431-E435 PolarHBondContact N-OE2 3.44Å
432	G	89.8	Confident	93.6	Very high	25 Å²	25	36.9 Å²	36.9	26%	0.258	22%	0.218	S	C	.	.	S	Bend	trans	-162	164.9	-175.1	0	0	0	0	0	113.6	A434 E435 V436	G432-A434 PolarHBondContact O-N 2.81Å; G432-A434 VanDerWaalsContact O-N 3.14Å; G432-E435 PolarHBondContact O-N 2.99Å; G432-E435 VanDerWaalsContact O-N 3.08Å; G432-V436 WeakPolarHBondContact O-CG2 3.43Å; G432-V436 PolarHBondContact O-N 3.42Å; G432-V436 VanDerWaalsContact O-N 3.13Å
433	P	91.6	Very high	93.5	Very high	115 Å²	115	36 Å²	36	75%	0.747	21%	0.214	S	C	*	.	H	α-helix	trans	-62.4	-25.9	-169.8	23.6	-34.2	0	0	0	113.9	V436 A437	P433-V436 PolarHBondContact O-N 2.79Å; P433-A437 WeakPolarHBondContact O-CB 3.32Å; P433-A437 PolarHBondContact O-N 2.81Å
434	A	92.8	Very high	93.4	Very high	80 Å²	80	40.7 Å²	40.7	66%	0.661	23%	0.232	S	C	*	.	H	α-helix	trans	-68.2	-44.2	174.4	0	0	0	0	0	112.6	G432 V436 A437 A438	G432-A434 PolarHBondContact O-N 2.81Å; G432-A434 VanDerWaalsContact O-N 3.14Å; A434-V436 VanDerWaalsContact C-N 3.3Å; A434-V436 PolarHBondContact O-N 3.28Å; A434-A437 PolarHBondContact O-N 2.97Å; A434-A438 WeakPolarHBondContact O-CB 3.42Å; A434-A438 PolarHBondContact O-N 3.18Å
435	E	94.1	Very high	93.3	Very high	50 Å²	50	46.7 Å²	46.7	23%	0.234	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-37.6	174.3	-62.5	-179.4	174.7	0	0	110.4	L430 R431 G432 A438 A439 W497	L430-E435 WeakPolarHBondContact CA-OE2 3.47Å; L430-E435 HydrophobicContact CB-CB 4.23Å; L430-E435 HydrophobicContact CD2-CB 4.2Å; R431-E435 PolarHBondContact N-OE2 3.44Å; G432-E435 PolarHBondContact O-N 2.99Å; G432-E435 VanDerWaalsContact O-N 3.08Å; E435-A438 PolarHBondContact O-N 3.18Å; E435-A439 VanDerWaalsContact O-CB 3.29Å; E435-A439 WeakPolarHBondContact O-CB 3.26Å; E435-A439 PolarHBondContact O-N 3.24Å; E435-W497 HydrophobicContact CB-CZ2 4.25Å; E435-W497 HydrophobicContact CG-CZ2 4.28Å
436	V	94.3	Very high	93.1	Very high	19 Å²	19	47.7 Å²	47.7	12%	0.115	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-46	175.3	174.8	0	0	0	0	112.4	H382 L430 G432 P433 A434 A439 A440 I562	H382-V436 WeakPolarHBondContact NE2-CG2 3.44Å; L430-V436 HydrophobicContact CB-CG2 3.87Å; L430-V436 HydrophobicContact CD1-CG2 4.02Å; G432-V436 WeakPolarHBondContact O-CG2 3.43Å; G432-V436 PolarHBondContact O-N 3.42Å; G432-V436 VanDerWaalsContact O-N 3.13Å; P433-V436 PolarHBondContact O-N 2.79Å; A434-V436 VanDerWaalsContact C-N 3.3Å; A434-V436 PolarHBondContact O-N 3.28Å; V436-A439 PolarHBondContact O-N 2.9Å; V436-A440 PolarHBondContact O-N 3Å; V436-I562 HydrophobicContact CG1-CD1 3.77Å; V436-I562 HydrophobicContact CG1-CG1 4.31Å; V436-I562 HydrophobicContact CG1-CG2 3.67Å
437	A	94.4	Very high	92.8	Very high	56 Å²	56	48.1 Å²	48.1	46%	0.463	26%	0.258	S	S	.	.	H	α-helix	trans	-63.5	-41.3	176.2	0	0	0	0	0	112	P433 A434 A440 E441	P433-A437 WeakPolarHBondContact O-CB 3.32Å; P433-A437 PolarHBondContact O-N 2.81Å; A434-A437 PolarHBondContact O-N 2.97Å; A437-A440 PolarHBondContact O-N 3.31Å; A437-E441 PolarHBondContact O-N 3.48Å
438	A	94.9	Very high	92.3	Very high	39 Å²	39	52.6 Å²	52.6	32%	0.322	28%	0.278	S	S	.	.	H	α-helix	trans	-67.6	-38.6	176.3	0	0	0	0	0	112.5	A434 E435 A440 E441 I442 W497	A434-A438 WeakPolarHBondContact O-CB 3.42Å; A434-A438 PolarHBondContact O-N 3.18Å; E435-A438 PolarHBondContact O-N 3.18Å; A438-A440 VanDerWaalsContact C-N 3.32Å; A438-A440 PolarHBondContact O-N 3.29Å; A438-E441 WeakPolarHBondContact O-CB 3.26Å; A438-E441 PolarHBondContact O-N 2.8Å; A438-I442 PolarHBondContact O-N 3.46Å; A438-W497 HydrophobicContact CB-CH2 3.52Å; A438-W497 HydrophobicContact CB-CZ2 4.44Å; A438-W497 HydrophobicContact CB-CZ3 4.08Å
439	A	94.9	Very high	91.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.2	-34.7	175.1	0	0	0	0	0	112.8	L430 E435 V436 L443 Y492 W497 L547	L430-A439 HydrophobicContact CD1-CB 3.66Å; L430-A439 HydrophobicContact CD2-CB 4.15Å; E435-A439 VanDerWaalsContact O-CB 3.29Å; E435-A439 WeakPolarHBondContact O-CB 3.26Å; E435-A439 PolarHBondContact O-N 3.24Å; V436-A439 PolarHBondContact O-N 2.9Å; A439-L443 PolarHBondContact O-N 2.82Å; A439-L443 VanDerWaalsContact O-N 3.15Å; A439-Y492 HydrophobicContact CB-CE1 3.9Å; A439-Y492 PolarHBondContact O-OH 3.03Å; A439-W497 HydrophobicContact CB-CE3 4.05Å; A439-W497 HydrophobicContact CB-CZ3 4.06Å; A439-L547 HydrophobicContact CB-CD2 4.39Å
440	A	95	Very high	89.8	Confident	2 Å²	2	64.2 Å²	64.2	2%	0.017	34%	0.34	C	S	.	.	H	α-helix	trans	-68.1	-38.2	171	0	0	0	0	0	112.5	V436 A437 A438 L443 R444 L547 C563	V436-A440 PolarHBondContact O-N 3Å; A437-A440 PolarHBondContact O-N 3.31Å; A438-A440 VanDerWaalsContact C-N 3.32Å; A438-A440 PolarHBondContact O-N 3.29Å; A440-L443 PolarHBondContact O-N 3.14Å; A440-R444 WeakPolarHBondContact O-CG 3.45Å; A440-R444 PolarHBondContact O-N 2.93Å; A440-L547 HydrophobicContact CB-CD2 4.04Å; A440-C563 HydrophobicContact CB-CB 3.77Å
441	E	94.7	Very high	88.4	Confident	72 Å²	72	74.5 Å²	74.5	34%	0.336	38%	0.378	S	S	.	.	H	α-helix	trans	-63.7	-40.5	173.1	-83.6	-62	112	0	0	112.8	A437 A438 L443 R444 R445	A437-E441 PolarHBondContact O-N 3.48Å; A438-E441 WeakPolarHBondContact O-CB 3.26Å; A438-E441 PolarHBondContact O-N 2.8Å; E441-L443 VanDerWaalsContact C-N 3.32Å; E441-L443 PolarHBondContact O-N 3.01Å; E441-R444 PolarHBondContact O-N 2.82Å; E441-R444 VanDerWaalsContact OE1-CD 3.3Å; E441-R444 WeakPolarHBondContact OE1-CD 3.24Å; E441-R444 IonicContact OE1-CZ 3.94Å; E441-R444 IonicContact OE1-NE 2.85Å; E441-R444 IonicContact OE1-NH1 3.39Å; E441-R444 PolarHBondContact OE1-NH1 3.37Å; E441-R445 WeakPolarHBondContact O-CB 3.4Å; E441-R445 VanDerWaalsContact O-CG 3.27Å; E441-R445 WeakPolarHBondContact O-CG 3.15Å; E441-R445 PolarHBondContact O-N 2.92Å; E441-R445 IonicContact OE2-NE 3.62Å; E441-R445 IonicContact OE2-NH2 3.32Å
442	I	93.7	Very high	87.4	Confident	31 Å²	31	67.3 Å²	67.3	16%	0.159	35%	0.353	C	S	.	.	H	α-helix	trans	-59	-45.3	171.9	-70.5	175.5	0	0	0	110.5	A438 R444 R445 F446 A491 Y492 E495 W497	A438-I442 PolarHBondContact O-N 3.46Å; I442-R444 PolarHBondContact O-N 3.48Å; I442-R445 PolarHBondContact O-N 3.37Å; I442-F446 WeakPolarHBondContact O-CB 3.44Å; I442-F446 PolarHBondContact O-N 3.01Å; I442-A491 HydrophobicContact CG2-CB 3.67Å; I442-Y492 HydrophobicContact CB-CE1 3.87Å; I442-Y492 HydrophobicContact CD1-CD1 4.19Å; I442-Y492 HydrophobicContact CD1-CE1 4.15Å; I442-Y492 HydrophobicContact CG2-CD1 4.23Å; I442-Y492 HydrophobicContact CG2-CE1 3.65Å; I442-E495 HydrophobicContact CD1-CG 3.75Å; I442-W497 HydrophobicContact CD1-CZ3 3.87Å
443	L	93.6	Very high	86.3	Confident	0 Å²	0	69 Å²	69	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-63.1	-40.7	178.8	-172.8	62.2	0	0	0	112.3	I384 A439 A440 E441 F446 A447 L488 L545 L547 C563 V565	I384-L443 HydrophobicContact CD1-CD1 4.41Å; I384-L443 HydrophobicContact CD1-CD2 4.22Å; I384-L443 HydrophobicContact CG2-CD1 4.32Å; A439-L443 PolarHBondContact O-N 2.82Å; A439-L443 VanDerWaalsContact O-N 3.15Å; A440-L443 PolarHBondContact O-N 3.14Å; E441-L443 VanDerWaalsContact C-N 3.32Å; E441-L443 PolarHBondContact O-N 3.01Å; L443-F446 PolarHBondContact O-N 2.8Å; L443-A447 PolarHBondContact O-N 3.33Å; L443-A447 VanDerWaalsContact O-N 3.09Å; L443-L488 HydrophobicContact CD1-CD2 3.94Å; L443-L545 HydrophobicContact CD1-CB 4.16Å; L443-L545 HydrophobicContact CD1-CD1 4.12Å; L443-L547 HydrophobicContact CD2-CB 3.92Å; L443-C563 HydrophobicContact CD2-CB 4.48Å; L443-V565 HydrophobicContact CD1-CG2 3.93Å; L443-V565 HydrophobicContact CD2-CG1 4.26Å; L443-V565 HydrophobicContact CD2-CG2 4.13Å; L443-V565 HydrophobicContact CG-CB 4.46Å; L443-V565 HydrophobicContact CG-CG1 3.91Å; L443-V565 HydrophobicContact CG-CG2 3.65Å
444	R	93.1	Very high	85.6	Confident	99 Å²	99	69 Å²	69	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-64.2	-44.7	175.4	-71.8	169	-169.3	141.3	6.6	112.2	A440 E441 I442 A447 Q448 V565	A440-R444 WeakPolarHBondContact O-CG 3.45Å; A440-R444 PolarHBondContact O-N 2.93Å; E441-R444 PolarHBondContact O-N 2.82Å; E441-R444 VanDerWaalsContact OE1-CD 3.3Å; E441-R444 WeakPolarHBondContact OE1-CD 3.24Å; E441-R444 IonicContact OE1-CZ 3.94Å; E441-R444 IonicContact OE1-NE 2.85Å; E441-R444 IonicContact OE1-NH1 3.39Å; E441-R444 PolarHBondContact OE1-NH1 3.37Å; I442-R444 PolarHBondContact O-N 3.48Å; R444-A447 PolarHBondContact O-N 2.89Å; R444-Q448 WeakPolarHBondContact O-CG 3.48Å; R444-Q448 PolarHBondContact O-N 2.86Å; R444-V565 HydrophobicContact CB-CG1 4.49Å; R444-V565 HydrophobicContact CG-CG1 3.9Å
445	R	91.3	Very high	85.3	Confident	155 Å²	155	65.5 Å²	65.5	59%	0.585	33%	0.329	S	S	*	.	H	α-helix	trans	-64.8	-41	176.7	-68.8	169.4	-166.1	-162.8	2.9	111.3	E441 I442 A447 Q448 L449	E441-R445 WeakPolarHBondContact O-CB 3.4Å; E441-R445 VanDerWaalsContact O-CG 3.27Å; E441-R445 WeakPolarHBondContact O-CG 3.15Å; E441-R445 PolarHBondContact O-N 2.92Å; E441-R445 IonicContact OE2-NE 3.62Å; E441-R445 IonicContact OE2-NH2 3.32Å; I442-R445 PolarHBondContact O-N 3.37Å; R445-A447 VanDerWaalsContact C-N 3.35Å; R445-A447 PolarHBondContact O-N 3.41Å; R445-Q448 PolarHBondContact O-N 3Å; R445-Q448 VanDerWaalsContact O-N 3.11Å; R445-L449 PolarHBondContact O-N 2.78Å
446	F	89.4	Confident	85.2	Confident	22 Å²	22	63.7 Å²	63.7	10%	0.096	32%	0.323	C	S	.	.	H	α-helix	trans	-58.6	-44.6	175.4	-179.5	-93.8	0	0	0	112.2	I442 L443 Q448 L449 N452 L484 L488 L545 L567	I442-F446 WeakPolarHBondContact O-CB 3.44Å; I442-F446 PolarHBondContact O-N 3.01Å; L443-F446 PolarHBondContact O-N 2.8Å; F446-Q448 VanDerWaalsContact C-N 3.25Å; F446-Q448 PolarHBondContact O-N 3.48Å; F446-L449 PolarHBondContact O-N 3.35Å; F446-N452 WeakPolarHBondContact CE1-OD1 3.29Å; F446-N452 WeakPolarHBondContact CZ-OD1 3.15Å; F446-N452 PolarHBondContact O-ND2 3.14Å; F446-L484 HydrophobicContact CE1-CD1 3.97Å; F446-L484 HydrophobicContact CZ-CD1 3.9Å; F446-L484 HydrophobicContact CZ-CG 4.43Å; F446-L484 VanDerWaalsContact CZ-O 3.24Å; F446-L484 WeakPolarHBondContact CZ-O 3.38Å; F446-L488 HydrophobicContact CB-CD2 3.77Å; F446-L488 HydrophobicContact CD1-CD1 4.12Å; F446-L488 HydrophobicContact CD1-CD2 3.68Å; F446-L488 HydrophobicContact CD1-CG 3.88Å; F446-L488 HydrophobicContact CD2-CD2 3.85Å; F446-L488 HydrophobicContact CD2-CG 3.91Å; F446-L488 HydrophobicContact CE1-CD1 3.92Å; F446-L488 HydrophobicContact CE1-CD2 4.24Å; F446-L488 HydrophobicContact CE1-CG 3.91Å; F446-L488 HydrophobicContact CE2-CD2 4.39Å; F446-L488 HydrophobicContact CE2-CG 3.94Å; F446-L488 HydrophobicContact CG-CD2 3.46Å; F446-L488 VanDerWaalsContact CG-CD2 3.46Å; F446-L488 HydrophobicContact CG-CG 3.89Å; F446-L488 HydrophobicContact CZ-CD1 4.25Å; F446-L488 HydrophobicContact CZ-CG 3.94Å; F446-L545 HydrophobicContact CD1-CD1 4.46Å; F446-L545 HydrophobicContact CE1-CD1 4.27Å; F446-L567 HydrophobicContact CD1-CD2 4.28Å; F446-L567 HydrophobicContact CE1-CD2 4.23Å
447	A	87.4	Confident	85	Confident	8 Å²	8	62.8 Å²	62.8	7%	0.066	32%	0.318	C	S	.	.	H	α-helix	trans	-67.9	-21	176.4	0	0	0	0	0	114.4	L443 R444 R445 V565 L567	L443-A447 PolarHBondContact O-N 3.33Å; L443-A447 VanDerWaalsContact O-N 3.09Å; R444-A447 PolarHBondContact O-N 2.89Å; R445-A447 VanDerWaalsContact C-N 3.35Å; R445-A447 PolarHBondContact O-N 3.41Å; A447-V565 HydrophobicContact CB-CB 3.68Å; A447-V565 HydrophobicContact CB-CG1 4.39Å; A447-V565 HydrophobicContact CB-CG2 3.74Å; A447-L567 HydrophobicContact CB-CD2 3.88Å
448	Q	83.5	Confident	85	Confident	133 Å²	133	62.7 Å²	62.7	62%	0.621	31%	0.312	S	S	*	.	H	α-helix	trans	-85.4	-12.4	175.2	-70.1	169.9	9.1	0	0	113.4	R444 R445 F446 D450	R444-Q448 WeakPolarHBondContact O-CG 3.48Å; R444-Q448 PolarHBondContact O-N 2.86Å; R445-Q448 PolarHBondContact O-N 3Å; R445-Q448 VanDerWaalsContact O-N 3.11Å; F446-Q448 VanDerWaalsContact C-N 3.25Å; F446-Q448 PolarHBondContact O-N 3.48Å; Q448-D450 PolarHBondContact O-N 3.29Å
449	L	77.3	Confident	84.8	Confident	102 Å²	102	60.9 Å²	60.9	53%	0.534	30%	0.297	S	S	.	.	S	Bend	trans	-75.2	123	177.6	-71.7	170.4	0	0	0	110.8	R445 F446 R451 N452	R445-L449 PolarHBondContact O-N 2.78Å; F446-L449 PolarHBondContact O-N 3.35Å; L449-R451 PolarHBondContact O-N 2.72Å; L449-N452 PolarHBondContact O-ND2 3.47Å
450	D	58.2	Low	84.5	Confident	159 Å²	159	63.4 Å²	63.4	85%	0.85	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	42.5	179.2	-156	40.1	0	0	0	112.5	Q448	Q448-D450 PolarHBondContact O-N 3.29Å
451	R	63.7	Low	84.1	Confident	221 Å²	221	65 Å²	65	83%	0.834	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.9	-1.7	-174.2	-72.3	-169.5	172.7	-160.4	-2.3	113.7	L449 P453	L449-R451 PolarHBondContact O-N 2.72Å; R451-P453 WeakPolarHBondContact O-CD 3.31Å
452	N	66.9	Low	83.8	Confident	26 Å²	26	69 Å²	69	14%	0.139	34%	0.339	C	S	.	.			trans	-80	109.7	177.4	-61.6	-41.8	0	0	0	108.2	F446 L449 L484	F446-N452 WeakPolarHBondContact CE1-OD1 3.29Å; F446-N452 WeakPolarHBondContact CZ-OD1 3.15Å; F446-N452 PolarHBondContact O-ND2 3.14Å; L449-N452 PolarHBondContact O-ND2 3.47Å; N452-L484 HydrophobicContact CB-CD1 4.14Å
453	P	67	Low	83.6	Confident	60 Å²	60	68.2 Å²	68.2	39%	0.39	34%	0.335	S	S	.	.			trans	-66.4	151.9	174.2	30	-34.8	0	0	0	109.5	R451 V455	R451-P453 WeakPolarHBondContact O-CD 3.31Å; P453-V455 VanDerWaalsContact C-N 3.27Å; P453-V455 HydrophobicContact CG-CG2 4.25Å; P453-V455 WeakPolarHBondContact O-CG2 3.37Å; P453-V455 PolarHBondContact O-N 3.06Å
454	P	78.3	Confident	83.4	Confident	116 Å²	116	71.3 Å²	71.3	75%	0.753	35%	0.348	S	S	*	.			trans	-70.2	81.7	179.2	28.2	-35.3	0	0	0	111.4
455	V	86.3	Confident	83.4	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.03	34%	0.336	C	S	.	.			trans	-69.3	133	178.5	-177.6	0	0	0	0	109.8	P453 V457 L480 L481 L484 V542	P453-V455 VanDerWaalsContact C-N 3.27Å; P453-V455 HydrophobicContact CG-CG2 4.25Å; P453-V455 WeakPolarHBondContact O-CG2 3.37Å; P453-V455 PolarHBondContact O-N 3.06Å; V455-V457 HydrophobicContact CG1-CG1 4.38Å; V455-L480 HydrophobicContact CG1-CB 4.14Å; V455-L480 HydrophobicContact CG2-CB 4.18Å; V455-L481 HydrophobicContact CG1-CD1 4.2Å; V455-L484 HydrophobicContact CB-CD2 4.43Å; V455-L484 HydrophobicContact CG2-CB 4.08Å; V455-L484 HydrophobicContact CG2-CD2 4.2Å; V455-V542 HydrophobicContact CB-CB 4.25Å; V455-V542 HydrophobicContact CB-CG2 4.46Å; V455-V542 HydrophobicContact CG1-CB 4.37Å; V455-V542 HydrophobicContact CG1-CG2 4.05Å; V455-V542 PolarHBondContact O-N 2.98Å
456	A	90.4	Very high	83.2	Confident	13 Å²	13	63.6 Å²	63.6	11%	0.107	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	139.5	166.2	0	0	0	0	0	109.2	R539 Q540	A456-R539 HydrophobicContact CB-CG 3.79Å; A456-Q540 CarbonylContact C-O 3.55Å; A456-Q540 VanDerWaalsContact CA-O 3.22Å; A456-Q540 WeakPolarHBondContact CA-O 3.35Å
457	V	91.9	Very high	83	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	149.7	-178.4	-61.5	0	0	0	0	110.9	F386 V455 F459 P475 Q476 L481 R539 Q540 V542	F386-V457 HydrophobicContact CE2-CG2 3.99Å; F386-V457 HydrophobicContact CZ-CG2 3.86Å; V455-V457 HydrophobicContact CG1-CG1 4.38Å; V457-F459 HydrophobicContact CG2-CE1 4.39Å; V457-F459 HydrophobicContact CG2-CE2 4.04Å; V457-F459 HydrophobicContact CG2-CZ 3.75Å; V457-P475 HydrophobicContact CB-CB 3.97Å; V457-P475 HydrophobicContact CG1-CB 4.17Å; V457-P475 HydrophobicContact CG2-CB 4.11Å; V457-Q476 CarbonylContact C-O 3.57Å; V457-Q476 VanDerWaalsContact CA-O 3.24Å; V457-Q476 WeakPolarHBondContact CA-O 3.5Å; V457-L481 HydrophobicContact CG1-CD1 4.48Å; V457-L481 HydrophobicContact CG1-CD2 4.41Å; V457-R539 CarbonylContact O-C 3.49Å; V457-Q540 HydrophobicContact CG2-CB 4.16Å; V457-Q540 PolarHBondContact N-O 3.34Å; V457-Q540 PolarHBondContact O-N 2.99Å; V457-V542 HydrophobicContact CG2-CG2 4.44Å
458	T	92.8	Very high	82.9	Confident	54 Å²	54	66 Å²	66	33%	0.331	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	161.7	163.6	64.9	0	0	0	0	109.4	P460 P475 Q476 G538 R539	T458-P460 WeakPolarHBondContact O-CD 3.29Å; T458-P475 CarbonylContact O-C 3.55Å; T458-P475 WeakPolarHBondContact O-CA 3.38Å; T458-Q476 PolarHBondContact N-O 3.45Å; T458-Q476 PolarHBondContact O-N 3.25Å; T458-G538 WeakPolarHBondContact CA-O 3.5Å; T458-G538 WeakPolarHBondContact CB-O 3.39Å; T458-G538 WeakPolarHBondContact CG2-O 3.49Å; T458-R539 HydrophobicContact CG2-CB 4.39Å
459	F	92.1	Very high	83.1	Confident	1 Å²	1	61.5 Å²	61.5	0%	0.004	31%	0.313	C	S	.	.			trans	-119.1	88	173.8	-56.8	-84.4	0	0	0	108.9	F386 A388 I393 V423 V457 L473 P475 L509 F537 Q540	F386-F459 HydrophobicContact CE2-CZ 4.41Å; A388-F459 HydrophobicContact CB-CE2 4.45Å; A388-F459 HydrophobicContact CB-CZ 4.38Å; I393-F459 HydrophobicContact CD1-CD2 4.09Å; I393-F459 HydrophobicContact CD1-CE2 3.81Å; V423-F459 HydrophobicContact CG2-CE1 3.73Å; V423-F459 HydrophobicContact CG2-CZ 3.85Å; V457-F459 HydrophobicContact CG2-CE1 4.39Å; V457-F459 HydrophobicContact CG2-CE2 4.04Å; V457-F459 HydrophobicContact CG2-CZ 3.75Å; F459-L473 HydrophobicContact CB-CB 4.35Å; F459-L473 HydrophobicContact CB-CD1 4.07Å; F459-L473 HydrophobicContact CD1-CB 4.47Å; F459-P475 HydrophobicContact CD1-CB 4.11Å; F459-P475 HydrophobicContact CE1-CB 3.7Å; F459-P475 HydrophobicContact CE1-CG 4.48Å; F459-P475 HydrophobicContact CZ-CB 4.45Å; F459-L509 HydrophobicContact CD1-CB 3.86Å; F459-L509 HydrophobicContact CD1-CD2 3.73Å; F459-L509 HydrophobicContact CD1-CG 4.46Å; F459-L509 HydrophobicContact CD2-CD2 4.18Å; F459-L509 HydrophobicContact CE1-CB 3.64Å; F459-L509 HydrophobicContact CE1-CD2 3.78Å; F459-L509 HydrophobicContact CE1-CG 4.3Å; F459-L509 HydrophobicContact CE2-CD2 4.23Å; F459-L509 HydrophobicContact CG-CD2 3.93Å; F459-L509 HydrophobicContact CZ-CB 4.46Å; F459-L509 HydrophobicContact CZ-CD2 4.04Å; F459-F537 HydrophobicContact CB-CB 3.86Å; F459-F537 HydrophobicContact CB-CG 4.11Å; F459-F537 HydrophobicContact CD2-CB 4.34Å; F459-Q540 HydrophobicContact CE2-CB 3.94Å; F459-Q540 HydrophobicContact CE2-CG 4.48Å
460	P	88.5	Confident	83.8	Confident	52 Å²	52	57.9 Å²	57.9	34%	0.338	30%	0.295	S	S	.	.			trans	-59.5	138.2	172.1	-20.6	32.9	0	0	0	109.9	T458 K462 Q476	T458-P460 WeakPolarHBondContact O-CD 3.29Å; P460-K462 PolarHBondContact O-N 2.94Å; P460-Q476 HydrophobicContact CG-CB 4.36Å; P460-Q476 HydrophobicContact CG-CG 4.19Å
461	V	87	Confident	85.5	Confident	36 Å²	36	50.3 Å²	50.3	22%	0.218	26%	0.255	C	S	.	.	S	Bend	trans	-81	59.9	-175.4	-161.2	0	0	0	0	111.2	L400 L473 L535 F537	L400-V461 HydrophobicContact CD1-CG1 4.18Å; L400-V461 HydrophobicContact CD2-CG1 4.15Å; V461-L473 HydrophobicContact CG1-CD2 4.5Å; V461-L535 HydrophobicContact CG2-CB 4.05Å; V461-L535 WeakPolarHBondContact CG2-O 3.35Å; V461-F537 HydrophobicContact CG1-CE2 4.49Å; V461-F537 HydrophobicContact CG2-CD2 3.62Å; V461-F537 HydrophobicContact CG2-CE2 3.61Å
462	K	87.6	Confident	86.9	Confident	157 Å²	157	39.8 Å²	39.8	68%	0.683	22%	0.215	S	C	*	.			trans	-102.4	93.8	167	-66.8	-172.9	176.7	-172.6	0	106.8	P460 K464	P460-K462 PolarHBondContact O-N 2.94Å; K462-K464 PolarHBondContact O-N 3.31Å
463	L	88.9	Confident	88.2	Confident	14 Å²	14	38.5 Å²	38.5	7%	0.073	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	134.9	176.2	-65.1	175.2	0	0	0	110	L400 L404 L471 L473 L511 V526 V531	L400-L463 HydrophobicContact CD1-CD2 4.45Å; L400-L463 HydrophobicContact CD2-CD2 4.15Å; L404-L463 HydrophobicContact CD1-CD1 3.81Å; L404-L463 HydrophobicContact CD1-CD2 4.23Å; L404-L463 HydrophobicContact CD2-CD1 4.01Å; L404-L463 HydrophobicContact CG-CD1 4.32Å; L463-L471 HydrophobicContact CB-CD1 4.35Å; L463-L471 HydrophobicContact CD2-CD1 4.19Å; L463-L471 HydrophobicContact CD2-CD2 4.46Å; L463-L471 HydrophobicContact CD2-CG 4.44Å; L463-L473 HydrophobicContact CD2-CD2 3.99Å; L463-L511 HydrophobicContact CD2-CD1 4.14Å; L463-V526 HydrophobicContact CB-CG2 4.2Å; L463-V526 HydrophobicContact CD1-CB 4.45Å; L463-V531 HydrophobicContact CD1-CG2 3.47Å; L463-V531 VanDerWaalsContact CD1-CG2 3.47Å
464	K	89.4	Confident	89.4	Confident	64 Å²	64	36.4 Å²	36.4	28%	0.278	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.3	171.7	-64.6	-172.7	179.4	-170.6	0	108.8	K462 Y472	K462-K464 PolarHBondContact O-N 3.31Å; K464-Y472 HydrophobicContact CB-CD2 4.17Å; K464-Y472 HydrophobicContact CB-CE1 3.99Å; K464-Y472 HydrophobicContact CB-CE2 3.55Å; K464-Y472 VanDerWaalsContact CB-CZ 3.43Å; K464-Y472 HydrophobicContact CD-CE2 4.11Å; K464-Y472 HydrophobicContact CG-CE2 4.39Å; K464-Y472 PolarHBondContact N-O 3.18Å; K464-Y472 VanDerWaalsContact N-O 3.1Å; K464-Y472 WeakPolarHBondContact O-CD1 3.46Å; K464-Y472 PolarHBondContact O-N 3.42Å
465	H	92.6	Very high	90.1	Very high	28 Å²	28	30.9 Å²	30.9	13%	0.13	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	161	175.3	54.5	113.2	0	0	0	111.8	G468 V470 Y472 F523 D524 W527	H465-G468 WeakPolarHBondContact ND1-CA 3.35Å; H465-G468 PolarHBondContact ND1-N 2.83Å; H465-G468 VanDerWaalsContact ND1-N 3.17Å; H465-V470 CarbonylContact C-O 3.58Å; H465-V470 WeakPolarHBondContact CA-O 3.35Å; H465-Y472 VanDerWaalsContact C-CE1 3.43Å; H465-F523 HydrophobicContact CB-CB 3.99Å; H465-F523 PolarHBondContact CD2-O 3.08Å; H465-F523 PolarHBondContact ND1-O 3.49Å; H465-F523 PolarHBondContact NE2-O 3.09Å; H465-D524 IonicContact CE1-OD1 2.78Å; H465-D524 PolarHBondContact CE1-OD1 3.25Å; H465-D524 IonicContact ND1-OD1 2.64Å; H465-D524 PolarHBondContact ND1-OD1 2.68Å; H465-W527 AromaticContact CD2-CE3 3.98Å; H465-W527 AromaticContact CD2-CZ3 4Å; H465-W527 AromaticContact CE1-CH2 3.98Å; H465-W527 AromaticContact CE1-CZ3 3.57Å; H465-W527 AromaticContact NE2-CE3 3.22Å; H465-W527 AromaticContact NE2-CH2 3.61Å; H465-W527 AromaticContact NE2-CZ3 2.9Å; H465-W527 WeakPolarHBondContact NE2-CZ3 3.37Å
466	F	88.8	Confident	90.2	Very high	64 Å²	64	34.1 Å²	34.1	28%	0.281	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.2	161.4	-62.8	-63.3	0	0	0	108	G468 K469 V470 Y472 R506 H508	F466-G468 PolarHBondContact O-N 2.9Å; F466-K469 PolarHBondContact O-N 3.4Å; F466-V470 HydrophobicContact CB-CB 4.22Å; F466-V470 HydrophobicContact CD2-CB 4.1Å; F466-V470 HydrophobicContact CD2-CG1 4.26Å; F466-V470 PolarHBondContact N-O 2.85Å; F466-V470 PolarHBondContact O-N 2.79Å; F466-Y472 AromaticContact CD1-CE1 3.86Å; F466-Y472 HydrophobicContact CD1-CE1 3.86Å; F466-Y472 AromaticContact CD2-CD1 3.59Å; F466-Y472 HydrophobicContact CD2-CD1 3.59Å; F466-Y472 AromaticContact CD2-CE1 3.35Å; F466-Y472 HydrophobicContact CD2-CE1 3.35Å; F466-Y472 AromaticContact CE1-CE1 3.77Å; F466-Y472 HydrophobicContact CE1-CE1 3.77Å; F466-Y472 AromaticContact CE1-CZ 3.81Å; F466-Y472 WeakPolarHBondContact CE1-OH 3.48Å; F466-Y472 AromaticContact CE2-CD1 3.49Å; F466-Y472 HydrophobicContact CE2-CD1 3.49Å; F466-Y472 VanDerWaalsContact CE2-CD1 3.49Å; F466-Y472 AromaticContact CE2-CE1 3.24Å; F466-Y472 HydrophobicContact CE2-CE1 3.24Å; F466-Y472 HydrophobicContact CE2-CE2 4.49Å; F466-Y472 HydrophobicContact CE2-CG 4.22Å; F466-Y472 AromaticContact CE2-CZ 3.82Å; F466-Y472 HydrophobicContact CG-CD1 4.31Å; F466-Y472 AromaticContact CG-CE1 3.67Å; F466-Y472 HydrophobicContact CG-CE1 3.67Å; F466-Y472 HydrophobicContact CZ-CD1 4.12Å; F466-Y472 AromaticContact CZ-CE1 3.46Å; F466-Y472 HydrophobicContact CZ-CE1 3.46Å; F466-Y472 VanDerWaalsContact CZ-CE1 3.46Å; F466-Y472 HydrophobicContact CZ-CE2 4.26Å; F466-Y472 AromaticContact CZ-CZ 3.55Å; F466-R506 HydrophobicContact CZ-CG 4.3Å; F466-H508 AromaticContact CE2-CD2 3.93Å; F466-H508 AromaticContact CE2-CE1 3.91Å; F466-H508 AromaticContact CE2-CG 3.95Å; F466-H508 AromaticContact CE2-ND1 3.92Å; F466-H508 AromaticContact CE2-NE2 3.92Å
467	N	84.9	Confident	90.2	Very high	82 Å²	82	36.1 Å²	36.1	44%	0.439	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	31.4	175	-161.6	35.9	0	0	0	114.7	K469 R521	N467-K469 PolarHBondContact O-N 3.4Å; N467-R521 PolarHBondContact OD1-NH2 3.41Å
468	G	85.4	Confident	89.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	0.9	-179.2	0	0	0	0	0	116.3	H465 F466 R521 I522 F523 D524	H465-G468 WeakPolarHBondContact ND1-CA 3.35Å; H465-G468 PolarHBondContact ND1-N 2.83Å; H465-G468 VanDerWaalsContact ND1-N 3.17Å; F466-G468 PolarHBondContact O-N 2.9Å; G468-R521 CarbonylContact O-C 3.52Å; G468-I522 PolarHBondContact O-N 2.87Å; G468-F523 WeakPolarHBondContact O-CB 3.19Å; G468-F523 PolarHBondContact O-N 3.41Å; G468-D524 WeakPolarHBondContact CA-OD1 3.49Å; G468-D524 PolarHBondContact N-OD1 2.92Å; G468-D524 VanDerWaalsContact N-OD1 3.07Å
469	K	87.9	Confident	89.7	Confident	37 Å²	37	40.8 Å²	40.8	16%	0.161	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-32	-171.6	-68.6	-166.3	176.3	-162.9	0	114.8	F466 N467 K513 V514 D516 A517 G519	F466-K469 PolarHBondContact O-N 3.4Å; N467-K469 PolarHBondContact O-N 3.4Å; K469-K513 CarbonylContact O-C 3.46Å; K469-K513 WeakPolarHBondContact O-CA 3.48Å; K469-V514 HydrophobicContact CB-CB 4.05Å; K469-V514 HydrophobicContact CB-CG2 4.48Å; K469-V514 HydrophobicContact CG-CB 4.18Å; K469-V514 PolarHBondContact O-N 2.74Å; K469-D516 PolarHBondContact NZ-O 2.66Å; K469-A517 VanDerWaalsContact NZ-C 3.29Å; K469-A517 PolarHBondContact NZ-O 3.28Å; K469-G519 VanDerWaalsContact CE-O 3.26Å; K469-G519 WeakPolarHBondContact CE-O 3.42Å
470	V	91.6	Very high	89.5	Confident	26 Å²	26	43.9 Å²	43.9	16%	0.158	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113.7	-179.7	-172.3	0	0	0	0	109.5	H465 F466 T510 K513	H465-V470 CarbonylContact C-O 3.58Å; H465-V470 WeakPolarHBondContact CA-O 3.35Å; F466-V470 HydrophobicContact CB-CB 4.22Å; F466-V470 HydrophobicContact CD2-CB 4.1Å; F466-V470 HydrophobicContact CD2-CG1 4.26Å; F466-V470 PolarHBondContact N-O 2.85Å; F466-V470 PolarHBondContact O-N 2.79Å; V470-T510 HydrophobicContact CG1-CG2 3.76Å; V470-K513 HydrophobicContact CG2-CG 4.2Å
471	L	93.4	Very high	89.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.3	176	-174.1	70.8	0	0	0	110.3	L404 W415 L463 L511 A512 F523 V526	L404-L471 HydrophobicContact CD1-CD2 3.86Å; W415-L471 HydrophobicContact CH2-CD2 3.95Å; W415-L471 HydrophobicContact CZ2-CD2 4.23Å; L463-L471 HydrophobicContact CB-CD1 4.35Å; L463-L471 HydrophobicContact CD2-CD1 4.19Å; L463-L471 HydrophobicContact CD2-CD2 4.46Å; L463-L471 HydrophobicContact CD2-CG 4.44Å; L471-L511 HydrophobicContact CD2-CB 4.24Å; L471-L511 HydrophobicContact CD2-CD1 4.34Å; L471-L511 HydrophobicContact CG-CB 4.36Å; L471-L511 PolarHBondContact O-N 3.05Å; L471-A512 HydrophobicContact CB-CB 4.04Å; L471-A512 HydrophobicContact CD2-CB 4.39Å; L471-A512 PolarHBondContact N-O 2.64Å; L471-A512 PolarHBondContact O-N 3.22Å; L471-F523 HydrophobicContact CB-CD1 3.95Å; L471-F523 HydrophobicContact CB-CD2 4.12Å; L471-F523 HydrophobicContact CB-CE1 4.11Å; L471-F523 HydrophobicContact CB-CE2 4.28Å; L471-F523 HydrophobicContact CB-CG 3.95Å; L471-F523 HydrophobicContact CB-CZ 4.28Å; L471-F523 HydrophobicContact CD1-CB 4.4Å; L471-F523 HydrophobicContact CD1-CD1 4.09Å; L471-F523 HydrophobicContact CD1-CG 4.37Å; L471-F523 HydrophobicContact CD2-CD1 4.05Å; L471-F523 HydrophobicContact CD2-CE1 3.94Å; L471-F523 HydrophobicContact CG-CD1 4.26Å; L471-F523 HydrophobicContact CG-CE1 4.5Å; L471-V526 HydrophobicContact CD1-CB 4.31Å; L471-V526 HydrophobicContact CD1-CG1 4.41Å; L471-V526 HydrophobicContact CD1-CG2 3.74Å
472	Y	94.1	Very high	89.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	165.8	180	66.3	-89.8	0	0	0	114.5	K464 H465 F466 R506 H508 L509	K464-Y472 HydrophobicContact CB-CD2 4.17Å; K464-Y472 HydrophobicContact CB-CE1 3.99Å; K464-Y472 HydrophobicContact CB-CE2 3.55Å; K464-Y472 VanDerWaalsContact CB-CZ 3.43Å; K464-Y472 HydrophobicContact CD-CE2 4.11Å; K464-Y472 HydrophobicContact CG-CE2 4.39Å; K464-Y472 PolarHBondContact N-O 3.18Å; K464-Y472 VanDerWaalsContact N-O 3.1Å; K464-Y472 WeakPolarHBondContact O-CD1 3.46Å; K464-Y472 PolarHBondContact O-N 3.42Å; H465-Y472 VanDerWaalsContact C-CE1 3.43Å; F466-Y472 AromaticContact CD1-CE1 3.86Å; F466-Y472 HydrophobicContact CD1-CE1 3.86Å; F466-Y472 AromaticContact CD2-CD1 3.59Å; F466-Y472 HydrophobicContact CD2-CD1 3.59Å; F466-Y472 AromaticContact CD2-CE1 3.35Å; F466-Y472 HydrophobicContact CD2-CE1 3.35Å; F466-Y472 AromaticContact CE1-CE1 3.77Å; F466-Y472 HydrophobicContact CE1-CE1 3.77Å; F466-Y472 AromaticContact CE1-CZ 3.81Å; F466-Y472 WeakPolarHBondContact CE1-OH 3.48Å; F466-Y472 AromaticContact CE2-CD1 3.49Å; F466-Y472 HydrophobicContact CE2-CD1 3.49Å; F466-Y472 VanDerWaalsContact CE2-CD1 3.49Å; F466-Y472 AromaticContact CE2-CE1 3.24Å; F466-Y472 HydrophobicContact CE2-CE1 3.24Å; F466-Y472 HydrophobicContact CE2-CE2 4.49Å; F466-Y472 HydrophobicContact CE2-CG 4.22Å; F466-Y472 AromaticContact CE2-CZ 3.82Å; F466-Y472 HydrophobicContact CG-CD1 4.31Å; F466-Y472 AromaticContact CG-CE1 3.67Å; F466-Y472 HydrophobicContact CG-CE1 3.67Å; F466-Y472 HydrophobicContact CZ-CD1 4.12Å; F466-Y472 AromaticContact CZ-CE1 3.46Å; F466-Y472 HydrophobicContact CZ-CE1 3.46Å; F466-Y472 VanDerWaalsContact CZ-CE1 3.46Å; F466-Y472 HydrophobicContact CZ-CE2 4.26Å; F466-Y472 AromaticContact CZ-CZ 3.55Å; Y472-R506 PolarHBondContact OH-NE 2.84Å; Y472-R506 PolarHBondContact OH-NH2 3.46Å; Y472-H508 HydrophobicContact CD2-CB 3.42Å; Y472-H508 VanDerWaalsContact CD2-CB 3.42Å; Y472-H508 HydrophobicContact CE2-CB 4.06Å; Y472-H508 HydrophobicContact CG-CB 3.76Å; Y472-L509 CarbonylContact C-O 3.6Å; Y472-L509 WeakPolarHBondContact CA-O 3.46Å; Y472-L509 VanDerWaalsContact CB-O 3.27Å; Y472-L509 WeakPolarHBondContact CB-O 3.2Å
473	L	93.2	Very high	89.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142.9	165.9	-61.2	176.7	0	0	0	110.6	F459 V461 L463 H508 L509 L511 F537	F459-L473 HydrophobicContact CB-CB 4.35Å; F459-L473 HydrophobicContact CB-CD1 4.07Å; F459-L473 HydrophobicContact CD1-CB 4.47Å; V461-L473 HydrophobicContact CG1-CD2 4.5Å; L463-L473 HydrophobicContact CD2-CD2 3.99Å; L473-H508 WeakPolarHBondContact O-CA 3.33Å; L473-L509 PolarHBondContact N-O 3.04Å; L473-L509 PolarHBondContact O-N 2.64Å; L473-L511 HydrophobicContact CD1-CD1 4.3Å; L473-L511 HydrophobicContact CD1-CD2 4.37Å; L473-L511 HydrophobicContact CD2-CD1 4.47Å; L473-L511 HydrophobicContact CG-CD1 3.97Å; L473-L511 HydrophobicContact CG-CD2 4.37Å; L473-L511 HydrophobicContact CG-CG 4.35Å; L473-F537 HydrophobicContact CD1-CD1 4.32Å; L473-F537 HydrophobicContact CD1-CD2 4.08Å; L473-F537 HydrophobicContact CD1-CE1 4.03Å; L473-F537 HydrophobicContact CD1-CE2 3.76Å; L473-F537 HydrophobicContact CD1-CG 4.38Å; L473-F537 HydrophobicContact CD1-CZ 3.74Å
474	S	91.9	Very high	89.7	Confident	16 Å²	16	39.8 Å²	39.8	11%	0.112	20%	0.199	C	C	.	.			trans	-85.5	122.8	172.7	-67.5	0	0	0	0	110.7
475	P	93.5	Very high	89.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.			trans	-65.7	147.2	170.9	27.3	-32.6	0	0	0	111.1	V423 V457 T458 F459 Q478 L481 Y507	V423-P475 HydrophobicContact CG1-CG 4.34Å; V457-P475 HydrophobicContact CB-CB 3.97Å; V457-P475 HydrophobicContact CG1-CB 4.17Å; V457-P475 HydrophobicContact CG2-CB 4.11Å; T458-P475 CarbonylContact O-C 3.55Å; T458-P475 WeakPolarHBondContact O-CA 3.38Å; F459-P475 HydrophobicContact CD1-CB 4.11Å; F459-P475 HydrophobicContact CE1-CB 3.7Å; F459-P475 HydrophobicContact CE1-CG 4.48Å; F459-P475 HydrophobicContact CZ-CB 4.45Å; P475-Q478 VanDerWaalsContact O-CG 3.24Å; P475-Q478 WeakPolarHBondContact O-CG 3.32Å; P475-L481 HydrophobicContact CB-CD2 4.43Å; P475-L481 HydrophobicContact CG-CD2 4.03Å; P475-Y507 WeakPolarHBondContact CD-O 3.31Å
476	Q	89.3	Confident	89.6	Confident	72 Å²	72	38 Å²	38	34%	0.336	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-136.1	141.7	174.2	-71.2	-67.3	3.3	0	0	111.5	V457 T458 P460 Q478	V457-Q476 CarbonylContact C-O 3.57Å; V457-Q476 VanDerWaalsContact CA-O 3.24Å; V457-Q476 WeakPolarHBondContact CA-O 3.5Å; T458-Q476 PolarHBondContact N-O 3.45Å; T458-Q476 PolarHBondContact O-N 3.25Å; P460-Q476 HydrophobicContact CG-CB 4.36Å; P460-Q476 HydrophobicContact CG-CG 4.19Å; Q476-Q478 VanDerWaalsContact OE1-N 3.17Å
477	P	89.5	Confident	89.6	Confident	56 Å²	56	36.5 Å²	36.5	36%	0.364	20%	0.2	S	C	.	.			cis	-79.5	133.4	-0.6	32.2	-34.4	0	0	0	112.6	L479 L480	P477-L479 VanDerWaalsContact C-N 3.34Å; P477-L479 PolarHBondContact O-N 3.09Å; P477-L480 HydrophobicContact CG-CB 4.34Å; P477-L480 HydrophobicContact CG-CD1 3.78Å; P477-L480 HydrophobicContact CG-CG 3.99Å
478	Q	86.4	Confident	89.9	Confident	42 Å²	42	32.6 Å²	32.6	20%	0.196	18%	0.179	C	C	.	.	H	α-helix	trans	-64.9	-33.6	178.7	-67.1	-171.7	84.4	0	0	113.4	E191 P475 Q476 L480 L481 H482	E191-Q478 PolarHBondContact OE1-NE2 2.9Å; P475-Q478 VanDerWaalsContact O-CG 3.24Å; P475-Q478 WeakPolarHBondContact O-CG 3.32Å; Q476-Q478 VanDerWaalsContact OE1-N 3.17Å; Q478-L480 PolarHBondContact O-N 3.45Å; Q478-L481 PolarHBondContact O-N 3.11Å; Q478-H482 PolarHBondContact O-N 3.38Å
479	L	88.1	Confident	90.2	Very high	109 Å²	109	32.9 Å²	32.9	57%	0.571	18%	0.181	S	C	*	.	H	α-helix	trans	-61.2	-45.2	-174.8	179.3	60.7	0	0	0	113.3	P477 L481 H482 Q483	P477-L479 VanDerWaalsContact C-N 3.34Å; P477-L479 PolarHBondContact O-N 3.09Å; L479-L481 VanDerWaalsContact C-N 3.29Å; L479-L481 PolarHBondContact O-N 2.95Å; L479-H482 PolarHBondContact O-N 3.34Å; L479-Q483 HydrophobicContact CD1-CG 4.46Å; L479-Q483 WeakPolarHBondContact O-CG 3.44Å; L479-Q483 PolarHBondContact O-N 2.88Å
480	L	87.2	Confident	90.3	Very high	66 Å²	66	34.3 Å²	34.3	35%	0.346	19%	0.188	S	C	.	.	H	α-helix	trans	-65.9	-35.7	178.7	-62.3	-176.5	0	0	0	111.6	V455 P477 Q478 Q483 L484	V455-L480 HydrophobicContact CG1-CB 4.14Å; V455-L480 HydrophobicContact CG2-CB 4.18Å; P477-L480 HydrophobicContact CG-CB 4.34Å; P477-L480 HydrophobicContact CG-CD1 3.78Å; P477-L480 HydrophobicContact CG-CG 3.99Å; Q478-L480 PolarHBondContact O-N 3.45Å; L480-Q483 PolarHBondContact O-N 3.2Å; L480-L484 PolarHBondContact O-N 2.88Å
481	L	89.1	Confident	90.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-69.7	-37	176.7	-162.8	63.9	0	0	0	111.7	F386 V423 L425 V455 V457 P475 Q478 L479 N485 Y507 V542	F386-L481 HydrophobicContact CE1-CD1 3.77Å; F386-L481 HydrophobicContact CE1-CD2 4.08Å; F386-L481 HydrophobicContact CZ-CD1 4.37Å; F386-L481 HydrophobicContact CZ-CD2 4.41Å; V423-L481 HydrophobicContact CG1-CD2 4.29Å; L425-L481 HydrophobicContact CD2-CD1 3.8Å; L425-L481 HydrophobicContact CD2-CD2 4.17Å; L425-L481 HydrophobicContact CD2-CG 3.88Å; V455-L481 HydrophobicContact CG1-CD1 4.2Å; V457-L481 HydrophobicContact CG1-CD1 4.48Å; V457-L481 HydrophobicContact CG1-CD2 4.41Å; P475-L481 HydrophobicContact CB-CD2 4.43Å; P475-L481 HydrophobicContact CG-CD2 4.03Å; Q478-L481 PolarHBondContact O-N 3.11Å; L479-L481 VanDerWaalsContact C-N 3.29Å; L479-L481 PolarHBondContact O-N 2.95Å; L481-N485 WeakPolarHBondContact O-CB 3.18Å; L481-N485 PolarHBondContact O-N 3.23Å; L481-Y507 HydrophobicContact CB-CD2 4.45Å; L481-Y507 HydrophobicContact CB-CE2 4.48Å; L481-Y507 HydrophobicContact CD2-CD1 3.86Å; L481-Y507 HydrophobicContact CD2-CD2 4.02Å; L481-Y507 HydrophobicContact CD2-CE1 4.48Å; L481-Y507 HydrophobicContact CD2-CG 3.61Å; L481-Y507 HydrophobicContact CG-CD1 4.28Å; L481-Y507 HydrophobicContact CG-CD2 4.36Å; L481-Y507 HydrophobicContact CG-CE1 4.42Å; L481-Y507 HydrophobicContact CG-CG 4.26Å; L481-V542 HydrophobicContact CD1-CG2 4.22Å
482	H	89.9	Confident	90.4	Very high	76 Å²	76	34.4 Å²	34.4	35%	0.352	19%	0.192	S	C	.	.	H	α-helix	trans	-64.4	-45.7	171.1	-172.9	95.1	0	0	0	112.1	Q478 L479 L484 N485 S486 Y507	Q478-H482 PolarHBondContact O-N 3.38Å; L479-H482 PolarHBondContact O-N 3.34Å; H482-L484 VanDerWaalsContact C-N 3.34Å; H482-L484 PolarHBondContact O-N 2.82Å; H482-N485 PolarHBondContact O-N 3.26Å; H482-S486 WeakPolarHBondContact O-CB 3.48Å; H482-S486 PolarHBondContact O-N 3.41Å; H482-Y507 WeakPolarHBondContact CA-OH 2.85Å; H482-Y507 HydrophobicContact CB-CE2 4.03Å
483	Q	88.4	Confident	90.3	Very high	95 Å²	95	39.9 Å²	39.9	44%	0.444	21%	0.212	S	C	.	.	H	α-helix	trans	-58.6	-44.9	177.3	-74.5	171.6	-12.4	0	0	111.8	L479 L480 S486	L479-Q483 HydrophobicContact CD1-CG 4.46Å; L479-Q483 WeakPolarHBondContact O-CG 3.44Å; L479-Q483 PolarHBondContact O-N 2.88Å; L480-Q483 PolarHBondContact O-N 3.2Å; Q483-S486 PolarHBondContact O-N 2.92Å; Q483-S486 PolarHBondContact O-OG 3.42Å
484	L	88.6	Confident	90.2	Very high	3 Å²	3	47 Å²	47	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-60.7	-47.8	175.1	-177.2	71.6	0	0	0	111.8	F446 N452 V455 L480 H482 S486 V542 L567	F446-L484 HydrophobicContact CE1-CD1 3.97Å; F446-L484 HydrophobicContact CZ-CD1 3.9Å; F446-L484 HydrophobicContact CZ-CG 4.43Å; F446-L484 VanDerWaalsContact CZ-O 3.24Å; F446-L484 WeakPolarHBondContact CZ-O 3.38Å; N452-L484 HydrophobicContact CB-CD1 4.14Å; V455-L484 HydrophobicContact CB-CD2 4.43Å; V455-L484 HydrophobicContact CG2-CB 4.08Å; V455-L484 HydrophobicContact CG2-CD2 4.2Å; L480-L484 PolarHBondContact O-N 2.88Å; H482-L484 VanDerWaalsContact C-N 3.34Å; H482-L484 PolarHBondContact O-N 2.82Å; L484-S486 VanDerWaalsContact C-N 3.32Å; L484-S486 PolarHBondContact O-N 2.79Å; L484-V542 HydrophobicContact CD2-CG1 3.88Å; L484-L567 HydrophobicContact CD1-CD1 3.93Å; L484-L567 HydrophobicContact CD2-CD1 4Å
485	N	91.3	Very high	90.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-69.1	-29	-179.3	-167.2	33.7	0	0	0	112.9	L425 C426 L481 H482 G487 L488 Q489 Y507	L425-N485 PolarHBondContact O-ND2 2.92Å; C426-N485 PolarHBondContact SG-OD1 2.79Å; L481-N485 WeakPolarHBondContact O-CB 3.18Å; L481-N485 PolarHBondContact O-N 3.23Å; H482-N485 PolarHBondContact O-N 3.26Å; N485-G487 VanDerWaalsContact C-N 3.26Å; N485-G487 PolarHBondContact O-N 3.12Å; N485-L488 WeakPolarHBondContact O-CB 2.95Å; N485-L488 PolarHBondContact O-N 2.82Å; N485-Q489 PolarHBondContact ND2-OE1 3.14Å; N485-Q489 WeakPolarHBondContact O-CG 3.44Å; N485-Q489 PolarHBondContact O-N 3.18Å; N485-Y507 HydrophobicContact CB-CE1 4.37Å; N485-Y507 VanDerWaalsContact CB-OH 3.28Å; N485-Y507 WeakPolarHBondContact CB-OH 3.38Å; N485-Y507 PolarHBondContact ND2-OH 3.34Å
486	S	89.2	Confident	90	Very high	53 Å²	53	53.6 Å²	53.6	37%	0.371	29%	0.286	S	S	.	.	H	α-helix	trans	-55.4	-39.1	-175	72.7	0	0	0	0	113.2	H482 Q483 L484 E490	H482-S486 WeakPolarHBondContact O-CB 3.48Å; H482-S486 PolarHBondContact O-N 3.41Å; Q483-S486 PolarHBondContact O-N 2.92Å; Q483-S486 PolarHBondContact O-OG 3.42Å; L484-S486 VanDerWaalsContact C-N 3.32Å; L484-S486 PolarHBondContact O-N 2.79Å; S486-E490 VanDerWaalsContact O-CB 3.32Å; S486-E490 WeakPolarHBondContact O-CB 3.12Å; S486-E490 PolarHBondContact O-N 2.68Å
487	G	88.6	Confident	90.2	Very high	33 Å²	33	51.5 Å²	51.5	34%	0.34	28%	0.275	S	S	.	.	H	α-helix	trans	-69.3	-35.5	176.7	0	0	0	0	0	113.8	N485 A491	N485-G487 VanDerWaalsContact C-N 3.26Å; N485-G487 PolarHBondContact O-N 3.12Å; G487-A491 WeakPolarHBondContact O-CB 3.39Å; G487-A491 PolarHBondContact O-N 3.06Å; G487-A491 VanDerWaalsContact O-N 3.09Å
488	L	90.6	Very high	90.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.5	-47	173.5	-70.2	167.3	0	0	0	111	I384 L443 F446 N485 E490 A491 Y492 L545	I384-L488 HydrophobicContact CG2-CD1 4.29Å; L443-L488 HydrophobicContact CD1-CD2 3.94Å; F446-L488 HydrophobicContact CB-CD2 3.77Å; F446-L488 HydrophobicContact CD1-CD1 4.12Å; F446-L488 HydrophobicContact CD1-CD2 3.68Å; F446-L488 HydrophobicContact CD1-CG 3.88Å; F446-L488 HydrophobicContact CD2-CD2 3.85Å; F446-L488 HydrophobicContact CD2-CG 3.91Å; F446-L488 HydrophobicContact CE1-CD1 3.92Å; F446-L488 HydrophobicContact CE1-CD2 4.24Å; F446-L488 HydrophobicContact CE1-CG 3.91Å; F446-L488 HydrophobicContact CE2-CD2 4.39Å; F446-L488 HydrophobicContact CE2-CG 3.94Å; F446-L488 HydrophobicContact CG-CD2 3.46Å; F446-L488 VanDerWaalsContact CG-CD2 3.46Å; F446-L488 HydrophobicContact CG-CG 3.89Å; F446-L488 HydrophobicContact CZ-CD1 4.25Å; F446-L488 HydrophobicContact CZ-CG 3.94Å; N485-L488 WeakPolarHBondContact O-CB 2.95Å; N485-L488 PolarHBondContact O-N 2.82Å; L488-E490 VanDerWaalsContact C-N 3.32Å; L488-E490 PolarHBondContact O-N 3.33Å; L488-A491 PolarHBondContact O-N 3.01Å; L488-Y492 HydrophobicContact CB-CD2 4.3Å; L488-Y492 HydrophobicContact CB-CE2 4.12Å; L488-Y492 HydrophobicContact CD2-CE2 4.02Å; L488-Y492 WeakPolarHBondContact O-CD2 3.04Å; L488-Y492 PolarHBondContact O-N 3.01Å; L488-L545 HydrophobicContact CD1-CD1 3.81Å
489	Q	92.2	Very high	90.6	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.028	26%	0.257	C	S	.	.	H	α-helix	trans	-55	-48.6	175.3	-69.9	172.5	-78.7	0	0	110.7	C426 N485 A491 Y492 R493 L498 S502	C426-Q489 HydrophobicContact CB-CG 4.37Å; N485-Q489 PolarHBondContact ND2-OE1 3.14Å; N485-Q489 WeakPolarHBondContact O-CG 3.44Å; N485-Q489 PolarHBondContact O-N 3.18Å; Q489-A491 PolarHBondContact O-N 3.38Å; Q489-Y492 PolarHBondContact O-N 3.17Å; Q489-R493 WeakPolarHBondContact O-CB 3.33Å; Q489-R493 PolarHBondContact O-N 3.48Å; Q489-L498 HydrophobicContact CB-CD2 4Å; Q489-L498 HydrophobicContact CG-CD1 4.44Å; Q489-L498 HydrophobicContact CG-CD2 4.42Å; Q489-S502 PolarHBondContact NE2-O 2.91Å
490	E	90.9	Very high	90.4	Very high	67 Å²	67	52.1 Å²	52.1	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-67.6	-35.3	-179.3	-178.7	59.1	-168.6	0	0	112.9	S486 L488 R493 K494	S486-E490 VanDerWaalsContact O-CB 3.32Å; S486-E490 WeakPolarHBondContact O-CB 3.12Å; S486-E490 PolarHBondContact O-N 2.68Å; L488-E490 VanDerWaalsContact C-N 3.32Å; L488-E490 PolarHBondContact O-N 3.33Å; E490-R493 WeakPolarHBondContact OE2-CD 3.49Å; E490-R493 IonicContact OE2-CZ 2.97Å; E490-R493 IonicContact OE2-NE 2.83Å; E490-R493 IonicContact OE2-NH1 2.89Å; E490-R493 PolarHBondContact OE2-NH1 3.21Å; E490-K494 WeakPolarHBondContact O-CG 3.35Å; E490-K494 PolarHBondContact O-N 3.48Å; E490-K494 WeakPolarHBondContact OE1-CE 3.34Å; E490-K494 IonicContact OE1-NZ 3.85Å; E490-K494 PolarHBondContact OE1-NZ 3.36Å
491	A	92.1	Very high	90.1	Very high	29 Å²	29	52.4 Å²	52.4	24%	0.24	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-50.2	172.3	0	0	0	0	0	111.7	I442 G487 L488 Q489 R493 K494 E495	I442-A491 HydrophobicContact CG2-CB 3.67Å; G487-A491 WeakPolarHBondContact O-CB 3.39Å; G487-A491 PolarHBondContact O-N 3.06Å; G487-A491 VanDerWaalsContact O-N 3.09Å; L488-A491 PolarHBondContact O-N 3.01Å; Q489-A491 PolarHBondContact O-N 3.38Å; A491-R493 VanDerWaalsContact C-N 3.28Å; A491-R493 PolarHBondContact O-N 3.39Å; A491-K494 PolarHBondContact O-N 3.23Å; A491-E495 PolarHBondContact O-N 3.46Å
492	Y	93.6	Very high	90	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-72.3	-19	178.9	-62.5	-51.9	0	0	0	113.9	I384 L428 A439 I442 L488 Q489 G496 W497 L498	I384-Y492 HydrophobicContact CD1-CE2 4.13Å; I384-Y492 HydrophobicContact CG1-CE2 3.86Å; L428-Y492 HydrophobicContact CD1-CD1 4.27Å; L428-Y492 HydrophobicContact CD1-CD2 4.27Å; L428-Y492 HydrophobicContact CD1-CE1 4.18Å; L428-Y492 HydrophobicContact CD1-CE2 4.18Å; L428-Y492 HydrophobicContact CD1-CG 4.32Å; L428-Y492 HydrophobicContact CD2-CD1 4.2Å; L428-Y492 HydrophobicContact CD2-CD2 3.74Å; L428-Y492 HydrophobicContact CD2-CE2 4.45Å; L428-Y492 HydrophobicContact CD2-CG 3.6Å; A439-Y492 HydrophobicContact CB-CE1 3.9Å; A439-Y492 PolarHBondContact O-OH 3.03Å; I442-Y492 HydrophobicContact CB-CE1 3.87Å; I442-Y492 HydrophobicContact CD1-CD1 4.19Å; I442-Y492 HydrophobicContact CD1-CE1 4.15Å; I442-Y492 HydrophobicContact CG2-CD1 4.23Å; I442-Y492 HydrophobicContact CG2-CE1 3.65Å; L488-Y492 HydrophobicContact CB-CD2 4.3Å; L488-Y492 HydrophobicContact CB-CE2 4.12Å; L488-Y492 HydrophobicContact CD2-CE2 4.02Å; L488-Y492 WeakPolarHBondContact O-CD2 3.04Å; L488-Y492 PolarHBondContact O-N 3.01Å; Q489-Y492 PolarHBondContact O-N 3.17Å; Y492-G496 PolarHBondContact O-N 3.33Å; Y492-W497 HydrophobicContact CD1-CE3 4.13Å; Y492-W497 PolarHBondContact O-N 2.92Å; Y492-L498 PolarHBondContact O-N 3Å
493	R	92.2	Very high	89.6	Confident	115 Å²	115	52.8 Å²	52.8	43%	0.434	27%	0.27	S	S	.	.	H	α-helix	trans	-71.2	-41.8	171	-178.5	-174	-71.5	144.6	-10.1	111	Q489 E490 A491 E495 G496 L498	Q489-R493 WeakPolarHBondContact O-CB 3.33Å; Q489-R493 PolarHBondContact O-N 3.48Å; E490-R493 WeakPolarHBondContact OE2-CD 3.49Å; E490-R493 IonicContact OE2-CZ 2.97Å; E490-R493 IonicContact OE2-NE 2.83Å; E490-R493 IonicContact OE2-NH1 2.89Å; E490-R493 PolarHBondContact OE2-NH1 3.21Å; A491-R493 VanDerWaalsContact C-N 3.28Å; A491-R493 PolarHBondContact O-N 3.39Å; R493-E495 PolarHBondContact O-N 3.28Å; R493-G496 PolarHBondContact O-N 2.86Å; R493-L498 HydrophobicContact CB-CD2 4.18Å
494	K	91.6	Very high	89.1	Confident	150 Å²	150	51.7 Å²	51.7	65%	0.652	27%	0.267	S	S	*	.	H	α-helix	trans	-61.4	-41.1	177.8	-76.2	167.1	-178.3	156.3	0	112.9	E490 A491 G496	E490-K494 WeakPolarHBondContact O-CG 3.35Å; E490-K494 PolarHBondContact O-N 3.48Å; E490-K494 WeakPolarHBondContact OE1-CE 3.34Å; E490-K494 IonicContact OE1-NZ 3.85Å; E490-K494 PolarHBondContact OE1-NZ 3.36Å; A491-K494 PolarHBondContact O-N 3.23Å; K494-G496 PolarHBondContact O-N 2.97Å
495	E	91.4	Very high	88.9	Confident	104 Å²	104	52.2 Å²	52.2	49%	0.486	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-5.4	174.7	-53.7	-57.2	145.8	0	0	113.5	I442 A491 R493 W497	I442-E495 HydrophobicContact CD1-CG 3.75Å; A491-E495 PolarHBondContact O-N 3.46Å; R493-E495 PolarHBondContact O-N 3.28Å; E495-W497 VanDerWaalsContact C-N 3.29Å; E495-W497 HydrophobicContact CB-CD2 3.54Å; E495-W497 HydrophobicContact CB-CE3 3.63Å; E495-W497 HydrophobicContact CB-CG 4.1Å; E495-W497 HydrophobicContact CB-CH2 3.83Å; E495-W497 HydrophobicContact CB-CZ2 3.81Å; E495-W497 HydrophobicContact CB-CZ3 3.78Å; E495-W497 HydrophobicContact CG-CD2 4.43Å; E495-W497 HydrophobicContact CG-CE3 4.05Å; E495-W497 HydrophobicContact CG-CH2 3.83Å; E495-W497 HydrophobicContact CG-CZ2 4.27Å; E495-W497 HydrophobicContact CG-CZ3 3.75Å; E495-W497 PolarHBondContact O-N 3.37Å; E495-W497 PolarHBondContact O-NE1 3.04Å
496	G	90.5	Very high	88.7	Confident	50 Å²	50	56.5 Å²	56.5	52%	0.515	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	13.8	-180	0	0	0	0	0	115.4	Y492 R493 K494	Y492-G496 PolarHBondContact O-N 3.33Å; R493-G496 PolarHBondContact O-N 2.86Å; K494-G496 PolarHBondContact O-N 2.97Å
497	W	93.5	Very high	88.8	Confident	27 Å²	27	54.1 Å²	54.1	10%	0.102	27%	0.269	C	S	.	.			trans	-90.9	-21.7	-177.1	-58.7	-27.5	0	0	0	114.1	L428 V429 L430 E435 A438 A439 I442 Y492 E495 H499	L428-W497 WeakPolarHBondContact CA-O 3.4Å; V429-W497 PolarHBondContact N-O 2.88Å; L430-W497 HydrophobicContact CD2-CB 3.61Å; L430-W497 HydrophobicContact CD2-CD2 3.56Å; L430-W497 HydrophobicContact CD2-CE3 3.83Å; L430-W497 HydrophobicContact CD2-CG 3.44Å; L430-W497 VanDerWaalsContact CD2-CG 3.44Å; E435-W497 HydrophobicContact CB-CZ2 4.25Å; E435-W497 HydrophobicContact CG-CZ2 4.28Å; A438-W497 HydrophobicContact CB-CH2 3.52Å; A438-W497 HydrophobicContact CB-CZ2 4.44Å; A438-W497 HydrophobicContact CB-CZ3 4.08Å; A439-W497 HydrophobicContact CB-CE3 4.05Å; A439-W497 HydrophobicContact CB-CZ3 4.06Å; I442-W497 HydrophobicContact CD1-CZ3 3.87Å; Y492-W497 HydrophobicContact CD1-CE3 4.13Å; Y492-W497 PolarHBondContact O-N 2.92Å; E495-W497 VanDerWaalsContact C-N 3.29Å; E495-W497 HydrophobicContact CB-CD2 3.54Å; E495-W497 HydrophobicContact CB-CE3 3.63Å; E495-W497 HydrophobicContact CB-CG 4.1Å; E495-W497 HydrophobicContact CB-CH2 3.83Å; E495-W497 HydrophobicContact CB-CZ2 3.81Å; E495-W497 HydrophobicContact CB-CZ3 3.78Å; E495-W497 HydrophobicContact CG-CD2 4.43Å; E495-W497 HydrophobicContact CG-CE3 4.05Å; E495-W497 HydrophobicContact CG-CH2 3.83Å; E495-W497 HydrophobicContact CG-CZ2 4.27Å; E495-W497 HydrophobicContact CG-CZ3 3.75Å; E495-W497 PolarHBondContact O-N 3.37Å; E495-W497 PolarHBondContact O-NE1 3.04Å; W497-H499 PolarHBondContact O-N 3.17Å
498	L	92	Very high	89	Confident	10 Å²	10	54.8 Å²	54.8	5%	0.052	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-62.2	124.1	-179.4	-174.1	67.2	0	0	0	112	C426 L428 Q489 Y492 R493 Y503	C426-L498 HydrophobicContact CB-CD1 3.84Å; L428-L498 HydrophobicContact CD2-CD1 4.35Å; Q489-L498 HydrophobicContact CB-CD2 4Å; Q489-L498 HydrophobicContact CG-CD1 4.44Å; Q489-L498 HydrophobicContact CG-CD2 4.42Å; Y492-L498 PolarHBondContact O-N 3Å; R493-L498 HydrophobicContact CB-CD2 4.18Å; L498-Y503 HydrophobicContact CB-CE1 4.38Å; L498-Y503 HydrophobicContact CD2-CD1 3.68Å; L498-Y503 HydrophobicContact CD2-CE1 3.85Å; L498-Y503 HydrophobicContact CG-CD1 4.07Å; L498-Y503 HydrophobicContact CG-CE1 3.98Å
499	H	91.1	Very high	89.2	Confident	31 Å²	31	54.8 Å²	54.8	14%	0.144	26%	0.263	C	S	.	.			trans	-73.3	148.5	177.4	-176.8	-110.4	0	0	0	112	K378 L427 V429 W497 S501 S502	K378-H499 PolarHBondContact O-CD2 3.02Å; K378-H499 PolarHBondContact O-NE2 3.35Å; L427-H499 HydrophobicContact CB-CB 3.82Å; L427-H499 VanDerWaalsContact O-CB 3.24Å; L427-H499 WeakPolarHBondContact O-CB 3.32Å; L427-H499 PolarHBondContact O-N 2.9Å; V429-H499 HydrophobicContact CG2-CB 4.13Å; W497-H499 PolarHBondContact O-N 3.17Å; H499-S501 PolarHBondContact CE1-OG 3.34Å; H499-S501 PolarHBondContact ND1-N 3.47Å; H499-S501 PolarHBondContact O-N 2.8Å; H499-S502 PolarHBondContact O-N 2.93Å
500	R	84.8	Confident	89.3	Confident	179 Å²	179	55.6 Å²	55.6	68%	0.675	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-58.9	-40.8	-173.9	-67.5	-177.3	176.5	-173.9	-2.9	113.4	S502 Y503	R500-S502 PolarHBondContact O-N 2.95Å; R500-Y503 HydrophobicContact CB-CE2 4.47Å; R500-Y503 HydrophobicContact CG-CE2 4.18Å; R500-Y503 WeakPolarHBondContact O-CB 3.32Å; R500-Y503 PolarHBondContact O-N 2.94Å
501	S	81.1	Confident	89.4	Confident	73 Å²	73	52.4 Å²	52.4	51%	0.51	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-67.4	0.6	176.6	-44	0	0	0	0	114.1	H499	H499-S501 PolarHBondContact CE1-OG 3.34Å; H499-S501 PolarHBondContact ND1-N 3.47Å; H499-S501 PolarHBondContact O-N 2.8Å
502	S	87.1	Confident	89.4	Confident	4 Å²	4	51 Å²	51	3%	0.028	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-116.1	20.9	173.1	-58.2	0	0	0	0	112.5	L427 Q489 H499 R500	L427-S502 WeakPolarHBondContact CB-OG 3.48Å; L427-S502 PolarHBondContact N-OG 3.47Å; Q489-S502 PolarHBondContact NE2-O 2.91Å; H499-S502 PolarHBondContact O-N 2.93Å; R500-S502 PolarHBondContact O-N 2.95Å
503	Y	80.1	Confident	89.4	Confident	80 Å²	80	54.6 Å²	54.6	31%	0.314	26%	0.258	S	S	.	.	S	Bend	trans	-78.3	-45.2	163.3	-62.8	-6	0	0	0	110.4	W149 L498 R500 P505	W149-Y503 HydrophobicContact CZ3-CD2 4.41Å; L498-Y503 HydrophobicContact CB-CE1 4.38Å; L498-Y503 HydrophobicContact CD2-CD1 3.68Å; L498-Y503 HydrophobicContact CD2-CE1 3.85Å; L498-Y503 HydrophobicContact CG-CD1 4.07Å; L498-Y503 HydrophobicContact CG-CE1 3.98Å; R500-Y503 HydrophobicContact CB-CE2 4.47Å; R500-Y503 HydrophobicContact CG-CE2 4.18Å; R500-Y503 WeakPolarHBondContact O-CB 3.32Å; R500-Y503 PolarHBondContact O-N 2.94Å; Y503-P505 WeakPolarHBondContact O-CD 3.32Å
504	N	79.4	Confident	89.2	Confident	72 Å²	72	49.3 Å²	49.3	39%	0.385	24%	0.239	S	C	.	.	S	Bend	trans	-115.4	85.8	165.6	-167.3	24.3	0	0	0	110.8	D180 R506	D180-N504 PolarHBondContact OD2-ND2 3.27Å; N504-R506 PolarHBondContact O-N 3.09Å
505	P	84.4	Confident	88.5	Confident	13 Å²	13	47.6 Å²	47.6	8%	0.084	24%	0.237	C	C	.	.			trans	-79.1	112.9	-175.9	30.9	-35.3	0	0	0	112.2	Y503 Y507	Y503-P505 WeakPolarHBondContact O-CD 3.32Å; P505-Y507 HydrophobicContact CB-CE1 4Å; P505-Y507 HydrophobicContact CG-CE1 4.04Å; P505-Y507 HydrophobicContact CG-CE2 4.42Å; P505-Y507 VanDerWaalsContact CG-OH 3.26Å; P505-Y507 WeakPolarHBondContact CG-OH 3.44Å; P505-Y507 PolarHBondContact O-N 3.15Å
506	R	85.6	Confident	87.8	Confident	90 Å²	90	47.2 Å²	47.2	34%	0.34	24%	0.238	S	C	.	.			trans	-80.9	96.2	169.6	-178.5	167.6	173.6	150.1	-3.5	110	D180 F466 Y472 N504 H508	D180-R506 PolarHBondContact O-NH1 3.27Å; F466-R506 HydrophobicContact CZ-CG 4.3Å; Y472-R506 PolarHBondContact OH-NE 2.84Å; Y472-R506 PolarHBondContact OH-NH2 3.46Å; N504-R506 PolarHBondContact O-N 3.09Å; R506-H508 PolarHBondContact O-ND1 2.91Å
507	Y	92.6	Very high	86.4	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.016	24%	0.235	C	C	.	.			trans	-62.7	135.6	-179.5	-52.4	-68.9	0	0	0	111.8	L425 P475 L481 H482 N485 P505	L425-Y507 HydrophobicContact CD2-CD1 4.04Å; L425-Y507 HydrophobicContact CD2-CE1 3.94Å; P475-Y507 WeakPolarHBondContact CD-O 3.31Å; L481-Y507 HydrophobicContact CB-CD2 4.45Å; L481-Y507 HydrophobicContact CB-CE2 4.48Å; L481-Y507 HydrophobicContact CD2-CD1 3.86Å; L481-Y507 HydrophobicContact CD2-CD2 4.02Å; L481-Y507 HydrophobicContact CD2-CE1 4.48Å; L481-Y507 HydrophobicContact CD2-CG 3.61Å; L481-Y507 HydrophobicContact CG-CD1 4.28Å; L481-Y507 HydrophobicContact CG-CD2 4.36Å; L481-Y507 HydrophobicContact CG-CE1 4.42Å; L481-Y507 HydrophobicContact CG-CG 4.26Å; H482-Y507 WeakPolarHBondContact CA-OH 2.85Å; H482-Y507 HydrophobicContact CB-CE2 4.03Å; N485-Y507 HydrophobicContact CB-CE1 4.37Å; N485-Y507 VanDerWaalsContact CB-OH 3.28Å; N485-Y507 WeakPolarHBondContact CB-OH 3.38Å; N485-Y507 PolarHBondContact ND2-OH 3.34Å; P505-Y507 HydrophobicContact CB-CE1 4Å; P505-Y507 HydrophobicContact CG-CE1 4.04Å; P505-Y507 HydrophobicContact CG-CE2 4.42Å; P505-Y507 VanDerWaalsContact CG-OH 3.26Å; P505-Y507 WeakPolarHBondContact CG-OH 3.44Å; P505-Y507 PolarHBondContact O-N 3.15Å
508	H	93.2	Very high	85	Confident	46 Å²	46	54.2 Å²	54.2	21%	0.213	27%	0.268	C	S	.	.			trans	-155.2	149.5	-179.6	57.3	-82.9	0	0	0	111.2	F466 Y472 L473 R506 T510	F466-H508 AromaticContact CE2-CD2 3.93Å; F466-H508 AromaticContact CE2-CE1 3.91Å; F466-H508 AromaticContact CE2-CG 3.95Å; F466-H508 AromaticContact CE2-ND1 3.92Å; F466-H508 AromaticContact CE2-NE2 3.92Å; Y472-H508 HydrophobicContact CD2-CB 3.42Å; Y472-H508 VanDerWaalsContact CD2-CB 3.42Å; Y472-H508 HydrophobicContact CE2-CB 4.06Å; Y472-H508 HydrophobicContact CG-CB 3.76Å; L473-H508 WeakPolarHBondContact O-CA 3.33Å; R506-H508 PolarHBondContact O-ND1 2.91Å; H508-T510 PolarHBondContact CD2-OG1 2.95Å; H508-T510 VanDerWaalsContact CD2-OG1 3.29Å
509	L	94.4	Very high	83.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	102.6	167.8	173.2	59.1	0	0	0	108	A388 L421 H422 V423 F459 Y472 L473 L511	A388-L509 HydrophobicContact CB-CD1 3.72Å; A388-L509 HydrophobicContact CB-CD2 4.13Å; L421-L509 HydrophobicContact CB-CD1 4.12Å; L421-L509 HydrophobicContact CD2-CD1 4.13Å; H422-L509 VanDerWaalsContact O-CD1 3.29Å; H422-L509 WeakPolarHBondContact O-CD1 3.35Å; V423-L509 HydrophobicContact CG2-CB 3.9Å; V423-L509 HydrophobicContact CG2-CD1 4.29Å; F459-L509 HydrophobicContact CD1-CB 3.86Å; F459-L509 HydrophobicContact CD1-CD2 3.73Å; F459-L509 HydrophobicContact CD1-CG 4.46Å; F459-L509 HydrophobicContact CD2-CD2 4.18Å; F459-L509 HydrophobicContact CE1-CB 3.64Å; F459-L509 HydrophobicContact CE1-CD2 3.78Å; F459-L509 HydrophobicContact CE1-CG 4.3Å; F459-L509 HydrophobicContact CE2-CD2 4.23Å; F459-L509 HydrophobicContact CG-CD2 3.93Å; F459-L509 HydrophobicContact CZ-CB 4.46Å; F459-L509 HydrophobicContact CZ-CD2 4.04Å; Y472-L509 CarbonylContact C-O 3.6Å; Y472-L509 WeakPolarHBondContact CA-O 3.46Å; Y472-L509 VanDerWaalsContact CB-O 3.27Å; Y472-L509 WeakPolarHBondContact CB-O 3.2Å; L473-L509 PolarHBondContact N-O 3.04Å; L473-L509 PolarHBondContact O-N 2.64Å; L509-L511 HydrophobicContact CD2-CD2 4.46Å; L509-L511 HydrophobicContact CG-CD2 4.16Å; L509-L511 PolarHBondContact O-N 3.17Å
510	T	94.1	Very high	83	Confident	24 Å²	24	60.2 Å²	60.2	15%	0.147	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.4	178.6	-55.6	0	0	0	0	110.6	Q416 V470 H508	Q416-T510 HydrophobicContact CG-CG2 4.3Å; V470-T510 HydrophobicContact CG1-CG2 3.76Å; H508-T510 PolarHBondContact CD2-OG1 2.95Å; H508-T510 VanDerWaalsContact CD2-OG1 3.29Å
511	L	93.4	Very high	83	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-42.7	177.7	-56.7	-168	0	0	0	111.9	F397 L400 W415 Q416 L421 L463 L471 L473 L509	F397-L511 HydrophobicContact CD2-CD2 4Å; F397-L511 HydrophobicContact CE2-CB 4.22Å; F397-L511 HydrophobicContact CE2-CD2 4.15Å; L400-L511 HydrophobicContact CD2-CD1 3.61Å; W415-L511 HydrophobicContact CE3-CB 4.41Å; W415-L511 HydrophobicContact CZ3-CB 3.83Å; W415-L511 HydrophobicContact CZ3-CD1 4.38Å; Q416-L511 WeakPolarHBondContact CB-O 3.26Å; Q416-L511 PolarHBondContact N-O 3.33Å; L421-L511 HydrophobicContact CD2-CD2 4.38Å; L463-L511 HydrophobicContact CD2-CD1 4.14Å; L471-L511 HydrophobicContact CD2-CB 4.24Å; L471-L511 HydrophobicContact CD2-CD1 4.34Å; L471-L511 HydrophobicContact CG-CB 4.36Å; L471-L511 PolarHBondContact O-N 3.05Å; L473-L511 HydrophobicContact CD1-CD1 4.3Å; L473-L511 HydrophobicContact CD1-CD2 4.37Å; L473-L511 HydrophobicContact CD2-CD1 4.47Å; L473-L511 HydrophobicContact CG-CD1 3.97Å; L473-L511 HydrophobicContact CG-CD2 4.37Å; L473-L511 HydrophobicContact CG-CG 4.35Å; L509-L511 HydrophobicContact CD2-CD2 4.46Å; L509-L511 HydrophobicContact CG-CD2 4.16Å; L509-L511 PolarHBondContact O-N 3.17Å
512	A	92.4	Very high	83.1	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	153.2	-178.4	0	0	0	0	0	110.7	H414 W415 L471 F523	H414-A512 CarbonylContact O-C 3.57Å; H414-A512 WeakPolarHBondContact O-CA 3.47Å; H414-A512 VanDerWaalsContact O-CB 3.31Å; H414-A512 WeakPolarHBondContact O-CB 3.4Å; W415-A512 HydrophobicContact CD2-CB 4.18Å; W415-A512 HydrophobicContact CE3-CB 4.33Å; W415-A512 HydrophobicContact CG-CB 4.42Å; L471-A512 HydrophobicContact CB-CB 4.04Å; L471-A512 HydrophobicContact CD2-CB 4.39Å; L471-A512 PolarHBondContact N-O 2.64Å; L471-A512 PolarHBondContact O-N 3.22Å; A512-F523 HydrophobicContact CB-CE1 4.18Å; A512-F523 HydrophobicContact CB-CE2 3.99Å; A512-F523 HydrophobicContact CB-CZ 3.46Å; A512-F523 VanDerWaalsContact CB-CZ 3.46Å
513	K	91.9	Very high	83.1	Confident	75 Å²	75	53.7 Å²	53.7	33%	0.326	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	126.7	179.2	176.1	173.5	-170.5	-53.6	0	110.4	H414 K469 V470 D515	H414-K513 WeakPolarHBondContact CB-O 3.41Å; H414-K513 PolarHBondContact O-N 3.38Å; K469-K513 CarbonylContact O-C 3.46Å; K469-K513 WeakPolarHBondContact O-CA 3.48Å; V470-K513 HydrophobicContact CG2-CG 4.2Å; K513-D515 WeakPolarHBondContact CD-OD1 3.43Å; K513-D515 IonicContact NZ-OD1 3.84Å; K513-D515 PolarHBondContact NZ-OD1 3.17Å
514	V	88.8	Confident	83.3	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.018	27%	0.266	C	S	.	.			trans	-75.6	127.1	160.4	-175.3	0	0	0	0	107.7	K469 D516 I522 F523	K469-V514 HydrophobicContact CB-CB 4.05Å; K469-V514 HydrophobicContact CB-CG2 4.48Å; K469-V514 HydrophobicContact CG-CB 4.18Å; K469-V514 PolarHBondContact O-N 2.74Å; V514-D516 HydrophobicContact CG1-CB 4.34Å; V514-I522 HydrophobicContact CG2-CD1 4.26Å; V514-F523 HydrophobicContact CG2-CD2 4.35Å; V514-F523 HydrophobicContact CG2-CE2 4.01Å
515	D	77.8	Confident	83.3	Confident	115 Å²	115	50.5 Å²	50.5	62%	0.615	26%	0.259	S	S	*	.			trans	-94.4	-24	178.7	-72.8	-50	0	0	0	112.6	K513	K513-D515 WeakPolarHBondContact CD-OD1 3.43Å; K513-D515 IonicContact NZ-OD1 3.84Å; K513-D515 PolarHBondContact NZ-OD1 3.17Å
516	D	76.3	Confident	83.2	Confident	96 Å²	96	49.9 Å²	49.9	51%	0.513	26%	0.255	S	S	.	.			trans	-70.4	134	-177.6	-48.5	-73.2	0	0	0	113	H414 K469 V514 G519	H414-D516 IonicContact CE1-OD2 3.56Å; K469-D516 PolarHBondContact NZ-O 2.66Å; V514-D516 HydrophobicContact CG1-CB 4.34Å; D516-G519 PolarHBondContact O-N 3.04Å
517	A	61.5	Low	82.8	Confident	55 Å²	55	53.4 Å²	53.4	46%	0.455	27%	0.269	S	S	.	.	S	Bend	trans	-69.3	-38.8	179.2	0	0	0	0	0	112.2	E350 K469 G519	E350-A517 HydrophobicContact CG-CB 4.27Å; K469-A517 VanDerWaalsContact NZ-C 3.29Å; K469-A517 PolarHBondContact NZ-O 3.28Å; A517-G519 VanDerWaalsContact C-N 3.35Å
518	E	63	Low	82.1	Confident	168 Å²	168	58.8 Å²	58.8	79%	0.785	30%	0.298	S	S	*	.	S	Bend	trans	-87.7	-4.7	173.7	-62.9	65.6	-143.8	0	0	112.8
519	G	65.5	Low	81.6	Confident	17 Å²	17	59.1 Å²	59.1	18%	0.175	30%	0.301	C	S	.	.			trans	-56.4	140.3	-174.3	0	0	0	0	0	113.9	K469 D516 A517	K469-G519 VanDerWaalsContact CE-O 3.26Å; K469-G519 WeakPolarHBondContact CE-O 3.42Å; D516-G519 PolarHBondContact O-N 3.04Å; A517-G519 VanDerWaalsContact C-N 3.35Å
520	E	74.9	Confident	80.8	Confident	151 Å²	151	67.1 Å²	67.1	71%	0.706	34%	0.335	S	S	*	.			trans	-55.5	148.6	178.2	-69	-172	166.2	0	0	111.9	I522	E520-I522 HydrophobicContact CB-CD1 4.45Å; E520-I522 HydrophobicContact CB-CG1 3.99Å; E520-I522 PolarHBondContact O-N 3.05Å
521	R	84.9	Confident	80.2	Confident	94 Å²	94	66.8 Å²	66.8	36%	0.355	33%	0.333	S	S	.	.			trans	-78.6	60.4	176.4	-66.7	-165.5	-171.4	178.8	1.3	111.7	E343 N467 G468 F523 D524	E343-R521 IonicContact OE1-NH1 2.74Å; E343-R521 PolarHBondContact OE1-NH1 3.38Å; E343-R521 VanDerWaalsContact OE1-NH1 3.08Å; E343-R521 IonicContact OE2-CZ 3.97Å; E343-R521 IonicContact OE2-NH1 3.45Å; E343-R521 PolarHBondContact OE2-NH1 3.42Å; E343-R521 IonicContact OE2-NH2 2.74Å; E343-R521 PolarHBondContact OE2-NH2 2.94Å; N467-R521 PolarHBondContact OD1-NH2 3.41Å; G468-R521 CarbonylContact O-C 3.52Å; R521-F523 PolarHBondContact O-N 3.38Å; R521-D524 HydrophobicContact CB-CB 4.22Å; R521-D524 WeakPolarHBondContact CD-OD2 3.35Å; R521-D524 IonicContact CZ-OD2 2.77Å; R521-D524 IonicContact NE-OD2 3.97Å; R521-D524 IonicContact NH1-OD2 3.07Å; R521-D524 PolarHBondContact NH1-OD2 3.2Å; R521-D524 PolarHBondContact O-N 2.92Å
522	I	84.8	Confident	79.3	Confident	23 Å²	23	67 Å²	67	12%	0.118	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.4	-173.6	-68	158	0	0	0	112.8	H414 G468 V514 E520	H414-I522 WeakPolarHBondContact NE2-CD1 3.24Å; G468-I522 PolarHBondContact O-N 2.87Å; V514-I522 HydrophobicContact CG2-CD1 4.26Å; E520-I522 HydrophobicContact CB-CD1 4.45Å; E520-I522 HydrophobicContact CB-CG1 3.99Å; E520-I522 PolarHBondContact O-N 3.05Å
523	F	86.1	Confident	78.6	Confident	1 Å²	1	74.5 Å²	74.5	0%	0.004	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	9.6	178.7	-52.5	-65.2	0	0	0	115.1	H414 H465 G468 L471 A512 V514 R521 V526	H414-F523 HydrophobicContact CB-CE2 4.36Å; H414-F523 HydrophobicContact CB-CZ 4.2Å; H465-F523 HydrophobicContact CB-CB 3.99Å; H465-F523 PolarHBondContact CD2-O 3.08Å; H465-F523 PolarHBondContact ND1-O 3.49Å; H465-F523 PolarHBondContact NE2-O 3.09Å; G468-F523 WeakPolarHBondContact O-CB 3.19Å; G468-F523 PolarHBondContact O-N 3.41Å; L471-F523 HydrophobicContact CB-CD1 3.95Å; L471-F523 HydrophobicContact CB-CD2 4.12Å; L471-F523 HydrophobicContact CB-CE1 4.11Å; L471-F523 HydrophobicContact CB-CE2 4.28Å; L471-F523 HydrophobicContact CB-CG 3.95Å; L471-F523 HydrophobicContact CB-CZ 4.28Å; L471-F523 HydrophobicContact CD1-CB 4.4Å; L471-F523 HydrophobicContact CD1-CD1 4.09Å; L471-F523 HydrophobicContact CD1-CG 4.37Å; L471-F523 HydrophobicContact CD2-CD1 4.05Å; L471-F523 HydrophobicContact CD2-CE1 3.94Å; L471-F523 HydrophobicContact CG-CD1 4.26Å; L471-F523 HydrophobicContact CG-CE1 4.5Å; A512-F523 HydrophobicContact CB-CE1 4.18Å; A512-F523 HydrophobicContact CB-CE2 3.99Å; A512-F523 HydrophobicContact CB-CZ 3.46Å; A512-F523 VanDerWaalsContact CB-CZ 3.46Å; V514-F523 HydrophobicContact CG2-CD2 4.35Å; V514-F523 HydrophobicContact CG2-CE2 4.01Å; R521-F523 PolarHBondContact O-N 3.38Å; F523-V526 HydrophobicContact CB-CG1 4.01Å; F523-V526 HydrophobicContact CD1-CG1 4.18Å; F523-V526 WeakPolarHBondContact O-CG1 3.27Å; F523-V526 VanDerWaalsContact O-CG2 3.24Å; F523-V526 WeakPolarHBondContact O-CG2 3.2Å
524	D	84.9	Confident	77.8	Confident	62 Å²	62	74.8 Å²	74.8	33%	0.332	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	137.9	168	-83.4	2.1	0	0	0	110.5	H465 G468 R521 V526	H465-D524 IonicContact CE1-OD1 2.78Å; H465-D524 PolarHBondContact CE1-OD1 3.25Å; H465-D524 IonicContact ND1-OD1 2.64Å; H465-D524 PolarHBondContact ND1-OD1 2.68Å; G468-D524 WeakPolarHBondContact CA-OD1 3.49Å; G468-D524 PolarHBondContact N-OD1 2.92Å; G468-D524 VanDerWaalsContact N-OD1 3.07Å; R521-D524 HydrophobicContact CB-CB 4.22Å; R521-D524 WeakPolarHBondContact CD-OD2 3.35Å; R521-D524 IonicContact CZ-OD2 2.77Å; R521-D524 IonicContact NE-OD2 3.97Å; R521-D524 IonicContact NH1-OD2 3.07Å; R521-D524 PolarHBondContact NH1-OD2 3.2Å; R521-D524 PolarHBondContact O-N 2.92Å; D524-V526 VanDerWaalsContact C-N 3.31Å; D524-V526 PolarHBondContact O-N 3.37Å
525	G	79.8	Confident	77.6	Confident	23 Å²	23	75.9 Å²	75.9	24%	0.237	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	2.9	-179.1	0	0	0	0	0	115.8	W527 D528	G525-W527 PolarHBondContact O-N 2.86Å; G525-D528 PolarHBondContact O-N 3.19Å
526	V	82.1	Confident	77.9	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.006	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.7	179.6	-65.2	0	0	0	0	114.6	L408 L463 L471 F523 D524 D528 L529	L408-V526 HydrophobicContact CD1-CG1 4.02Å; L463-V526 HydrophobicContact CB-CG2 4.2Å; L463-V526 HydrophobicContact CD1-CB 4.45Å; L471-V526 HydrophobicContact CD1-CB 4.31Å; L471-V526 HydrophobicContact CD1-CG1 4.41Å; L471-V526 HydrophobicContact CD1-CG2 3.74Å; F523-V526 HydrophobicContact CB-CG1 4.01Å; F523-V526 HydrophobicContact CD1-CG1 4.18Å; F523-V526 WeakPolarHBondContact O-CG1 3.27Å; F523-V526 VanDerWaalsContact O-CG2 3.24Å; F523-V526 WeakPolarHBondContact O-CG2 3.2Å; D524-V526 VanDerWaalsContact C-N 3.31Å; D524-V526 PolarHBondContact O-N 3.37Å; V526-D528 VanDerWaalsContact C-N 3.28Å; V526-L529 HydrophobicContact CB-CD1 4.41Å; V526-L529 HydrophobicContact CG1-CD1 4.18Å; V526-L529 PolarHBondContact O-N 2.96Å
527	W	77.2	Confident	78.4	Confident	164 Å²	164	71.2 Å²	71.2	62%	0.621	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-24.7	172	56.2	61.5	0	0	0	112.6	H465 G525	H465-W527 AromaticContact CD2-CE3 3.98Å; H465-W527 AromaticContact CD2-CZ3 4Å; H465-W527 AromaticContact CE1-CH2 3.98Å; H465-W527 AromaticContact CE1-CZ3 3.57Å; H465-W527 AromaticContact NE2-CE3 3.22Å; H465-W527 AromaticContact NE2-CH2 3.61Å; H465-W527 AromaticContact NE2-CZ3 2.9Å; H465-W527 WeakPolarHBondContact NE2-CZ3 3.37Å; G525-W527 PolarHBondContact O-N 2.86Å
528	D	78	Confident	79.6	Confident	117 Å²	117	69.4 Å²	69.4	63%	0.626	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-17.5	179.7	-69.4	-48	0	0	0	112.2	G525 V526 K530	G525-D528 PolarHBondContact O-N 3.19Å; V526-D528 VanDerWaalsContact C-N 3.28Å; D528-K530 PolarHBondContact O-N 3.44Å
529	L	81.1	Confident	80.9	Confident	53 Å²	53	69.4 Å²	69.4	28%	0.277	35%	0.353	S	S	.	.	S	Bend	trans	-70.8	122	178.8	-62.9	-179	0	0	0	110.7	L404 L407 L408 V526 V531	L404-L529 HydrophobicContact CD2-CD1 3.87Å; L407-L529 HydrophobicContact CD1-CD2 4.42Å; L408-L529 HydrophobicContact CD1-CD1 3.65Å; L408-L529 HydrophobicContact CG-CD1 4.02Å; V526-L529 HydrophobicContact CB-CD1 4.41Å; V526-L529 HydrophobicContact CG1-CD1 4.18Å; V526-L529 PolarHBondContact O-N 2.96Å; L529-V531 HydrophobicContact CB-CG1 4.41Å; L529-V531 HydrophobicContact CB-CG2 4.25Å; L529-V531 PolarHBondContact O-N 3.45Å
530	K	79.4	Confident	82.1	Confident	167 Å²	167	69 Å²	69	73%	0.726	35%	0.347	S	S	*	.			trans	-82.2	40.7	-174	-71	172	-178.1	166.1	0	113.3	D528 K533	D528-K530 PolarHBondContact O-N 3.44Å; K530-K533 VanDerWaalsContact O-CE 3.26Å; K530-K533 WeakPolarHBondContact O-CE 3.4Å
531	V	80.7	Confident	82.9	Confident	17 Å²	17	64.2 Å²	64.2	10%	0.103	33%	0.329	C	S	.	.			trans	-87.2	169.4	179.7	-65.5	0	0	0	0	112.6	L400 E403 L404 L407 L463 L529 K533	L400-V531 HydrophobicContact CD1-CG2 4.32Å; E403-V531 HydrophobicContact CB-CB 4.5Å; E403-V531 HydrophobicContact CB-CG1 4.32Å; E403-V531 WeakPolarHBondContact OE2-CA 3.3Å; L404-V531 HydrophobicContact CD2-CG1 4.25Å; L404-V531 HydrophobicContact CD2-CG2 3.97Å; L404-V531 HydrophobicContact CG-CG1 4.38Å; L404-V531 HydrophobicContact CG-CG2 4.11Å; L407-V531 HydrophobicContact CD1-CG1 3.44Å; L407-V531 VanDerWaalsContact CD1-CG1 3.44Å; L407-V531 HydrophobicContact CG-CG1 4.45Å; L463-V531 HydrophobicContact CD1-CG2 3.47Å; L463-V531 VanDerWaalsContact CD1-CG2 3.47Å; L529-V531 HydrophobicContact CB-CG1 4.41Å; L529-V531 HydrophobicContact CB-CG2 4.25Å; L529-V531 PolarHBondContact O-N 3.45Å; V531-K533 VanDerWaalsContact C-N 3.25Å; V531-K533 PolarHBondContact O-N 3.44Å
532	G	74.1	Confident	83.2	Confident	6 Å²	6	60.1 Å²	60.1	6%	0.062	31%	0.314	C	S	.	.			trans	70.5	16.9	173.2	0	0	0	0	0	114.7	E403 G534 L535	E403-G532 PolarHBondContact OE2-N 3.22Å; G532-G534 PolarHBondContact O-N 2.88Å; G532-G534 VanDerWaalsContact O-N 3.08Å; G532-L535 WeakPolarHBondContact O-CB 3.45Å; G532-L535 PolarHBondContact O-N 2.83Å; G532-L535 VanDerWaalsContact O-N 3.08Å
533	K	77.5	Confident	83.4	Confident	157 Å²	157	63 Å²	63	68%	0.683	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	108.2	-173.8	-76.4	177.2	177.4	165.6	0	111.7	K530 V531 L535	K530-K533 VanDerWaalsContact O-CE 3.26Å; K530-K533 WeakPolarHBondContact O-CE 3.4Å; V531-K533 VanDerWaalsContact C-N 3.25Å; V531-K533 PolarHBondContact O-N 3.44Å; K533-L535 VanDerWaalsContact C-N 3.31Å
534	G	75.1	Confident	83.6	Confident	81 Å²	81	64.9 Å²	64.9	84%	0.835	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-3.3	-178.4	0	0	0	0	0	113.9	G532 N536	G532-G534 PolarHBondContact O-N 2.88Å; G532-G534 VanDerWaalsContact O-N 3.08Å; G534-N536 PolarHBondContact O-N 3.01Å
535	L	85.1	Confident	84.1	Confident	26 Å²	26	61.9 Å²	61.9	14%	0.136	33%	0.325	C	S	.	.			trans	-65	132.7	168	-63.3	-171.3	0	0	0	109.4	Q399 L400 V461 G532 K533	Q399-L535 HydrophobicContact CB-CD1 4.22Å; Q399-L535 HydrophobicContact CB-CD2 4Å; L400-L535 HydrophobicContact CB-CD1 3.81Å; L400-L535 HydrophobicContact CD1-CD1 4.45Å; V461-L535 HydrophobicContact CG2-CB 4.05Å; V461-L535 WeakPolarHBondContact CG2-O 3.35Å; G532-L535 WeakPolarHBondContact O-CB 3.45Å; G532-L535 PolarHBondContact O-N 2.83Å; G532-L535 VanDerWaalsContact O-N 3.08Å; K533-L535 VanDerWaalsContact C-N 3.31Å
536	N	84.9	Confident	84.8	Confident	112 Å²	112	61.6 Å²	61.6	60%	0.599	32%	0.317	S	S	*	.			trans	-136.2	101.9	176.3	-173.7	-11.3	0	0	0	108.9	C396 G534 G538	C396-N536 VanDerWaalsContact SG-C 3.53Å; C396-N536 PolarHBondContact SG-O 3.39Å; C396-N536 VanDerWaalsContact SG-O 3.37Å; G534-N536 PolarHBondContact O-N 3.01Å; N536-G538 PolarHBondContact O-N 2.77Å; N536-G538 PolarHBondContact OD1-N 3.12Å
537	F	86.3	Confident	85.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.317	C	S	.	.			trans	-56.9	-17.1	178.6	-78.2	-102.6	0	0	0	113.1	T392 I393 C396 F397 L400 F459 V461 L473	T392-F537 WeakPolarHBondContact CB-O 3.24Å; T392-F537 PolarHBondContact OG1-O 3.04Å; I393-F537 HydrophobicContact CB-CD1 4.22Å; I393-F537 HydrophobicContact CG1-CB 4.24Å; I393-F537 HydrophobicContact CG1-CD1 4.25Å; I393-F537 VanDerWaalsContact CG1-O 3.23Å; I393-F537 WeakPolarHBondContact CG1-O 3.18Å; I393-F537 HydrophobicContact CG2-CD1 3.95Å; I393-F537 HydrophobicContact CG2-CE1 4.38Å; C396-F537 HydrophobicContact CB-CD1 3.93Å; C396-F537 HydrophobicContact CB-CD2 3.78Å; C396-F537 HydrophobicContact CB-CE1 3.83Å; C396-F537 HydrophobicContact CB-CE2 3.68Å; C396-F537 HydrophobicContact CB-CG 3.89Å; C396-F537 HydrophobicContact CB-CZ 3.69Å; F397-F537 HydrophobicContact CB-CE1 4.26Å; L400-F537 HydrophobicContact CB-CZ 4.48Å; L400-F537 HydrophobicContact CD2-CE2 4.08Å; L400-F537 HydrophobicContact CD2-CZ 3.76Å; F459-F537 HydrophobicContact CB-CB 3.86Å; F459-F537 HydrophobicContact CB-CG 4.11Å; F459-F537 HydrophobicContact CD2-CB 4.34Å; V461-F537 HydrophobicContact CG1-CE2 4.49Å; V461-F537 HydrophobicContact CG2-CD2 3.62Å; V461-F537 HydrophobicContact CG2-CE2 3.61Å; L473-F537 HydrophobicContact CD1-CD1 4.32Å; L473-F537 HydrophobicContact CD1-CD2 4.08Å; L473-F537 HydrophobicContact CD1-CE1 4.03Å; L473-F537 HydrophobicContact CD1-CE2 3.76Å; L473-F537 HydrophobicContact CD1-CG 4.38Å; L473-F537 HydrophobicContact CD1-CZ 3.74Å
538	G	86.4	Confident	86.2	Confident	17 Å²	17	53.7 Å²	53.7	18%	0.175	29%	0.288	C	S	.	.			trans	85.4	-161.9	176	0	0	0	0	0	112.8	T458 N536	T458-G538 WeakPolarHBondContact CA-O 3.5Å; T458-G538 WeakPolarHBondContact CB-O 3.39Å; T458-G538 WeakPolarHBondContact CG2-O 3.49Å; N536-G538 PolarHBondContact O-N 2.77Å; N536-G538 PolarHBondContact OD1-N 3.12Å
539	R	89.8	Confident	86.8	Confident	168 Å²	168	48.9 Å²	48.9	63%	0.634	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	106.6	-177.7	-179	179	-177	-92.3	3.3	109.9	A456 V457 T458 P541	A456-R539 HydrophobicContact CB-CG 3.79Å; V457-R539 CarbonylContact O-C 3.49Å; T458-R539 HydrophobicContact CG2-CB 4.39Å; R539-P541 VanDerWaalsContact O-CD 3.27Å; R539-P541 WeakPolarHBondContact O-CD 3.36Å
540	Q	92.1	Very high	87	Confident	9 Å²	9	49.7 Å²	49.7	4%	0.042	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	110.9	172.3	-177.8	59	63.8	0	0	109.6	F386 T390 I393 A456 V457 F459	F386-Q540 HydrophobicContact CD2-CG 4.27Å; F386-Q540 HydrophobicContact CE2-CG 4.02Å; T390-Q540 PolarHBondContact OG1-OE1 3.03Å; I393-Q540 HydrophobicContact CD1-CB 4.02Å; I393-Q540 HydrophobicContact CD1-CG 4.33Å; A456-Q540 CarbonylContact C-O 3.55Å; A456-Q540 VanDerWaalsContact CA-O 3.22Å; A456-Q540 WeakPolarHBondContact CA-O 3.35Å; V457-Q540 HydrophobicContact CG2-CB 4.16Å; V457-Q540 PolarHBondContact N-O 3.34Å; V457-Q540 PolarHBondContact O-N 2.99Å; F459-Q540 HydrophobicContact CE2-CB 3.94Å; F459-Q540 HydrophobicContact CE2-CG 4.48Å
541	P	90.6	Very high	86.5	Confident	51 Å²	51	50 Å²	50	33%	0.331	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	136.7	165.3	29.6	-33.6	0	0	0	109.6	R539 N543	R539-P541 VanDerWaalsContact O-CD 3.27Å; R539-P541 WeakPolarHBondContact O-CD 3.36Å; P541-N543 VanDerWaalsContact C-N 3.3Å; P541-N543 PolarHBondContact O-N 3.49Å
542	V	90.8	Very high	85.6	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.042	28%	0.284	C	S	.	.			trans	-92.4	71.1	172.1	-173.3	0	0	0	0	107.3	F386 V455 V457 L481 L484 L545	F386-V542 HydrophobicContact CB-CG1 4.08Å; F386-V542 HydrophobicContact CD1-CG1 3.89Å; F386-V542 HydrophobicContact CD1-CG2 4.29Å; F386-V542 HydrophobicContact CD2-CG1 4.44Å; F386-V542 HydrophobicContact CD2-CG2 4.08Å; F386-V542 HydrophobicContact CE1-CG1 4.41Å; F386-V542 HydrophobicContact CE1-CG2 4.11Å; F386-V542 HydrophobicContact CE2-CG2 3.88Å; F386-V542 HydrophobicContact CG-CG1 3.9Å; F386-V542 HydrophobicContact CG-CG2 4.28Å; F386-V542 HydrophobicContact CZ-CG2 3.88Å; V455-V542 HydrophobicContact CB-CB 4.25Å; V455-V542 HydrophobicContact CB-CG2 4.46Å; V455-V542 HydrophobicContact CG1-CB 4.37Å; V455-V542 HydrophobicContact CG1-CG2 4.05Å; V455-V542 PolarHBondContact O-N 2.98Å; V457-V542 HydrophobicContact CG2-CG2 4.44Å; L481-V542 HydrophobicContact CD1-CG2 4.22Å; L484-V542 HydrophobicContact CD2-CG1 3.88Å; V542-L545 HydrophobicContact CG1-CD2 3.9Å
543	N	89.4	Confident	84.9	Confident	85 Å²	85	55 Å²	55	46%	0.455	31%	0.313	S	S	.	.			trans	-95.4	-12.3	-178.7	69.1	-7.5	0	0	0	113.4	P541 A566 L567	P541-N543 VanDerWaalsContact C-N 3.3Å; P541-N543 PolarHBondContact O-N 3.49Å; N543-A566 CarbonylContact O-C 3.55Å; N543-A566 WeakPolarHBondContact O-CA 3.4Å; N543-L567 PolarHBondContact O-N 3.2Å
544	T	91.5	Very high	84.6	Confident	39 Å²	39	52.5 Å²	52.5	24%	0.239	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	125.4	-172.1	-49	0	0	0	0	109.8	F386 T564 V565	F386-T544 VanDerWaalsContact CB-O 3.29Å; F386-T544 WeakPolarHBondContact CB-O 3.49Å; T544-T564 HydrophobicContact CG2-CG2 3.48Å; T544-T564 VanDerWaalsContact CG2-CG2 3.48Å; T544-V565 WeakPolarHBondContact CA-O 3.48Å
545	L	93.8	Very high	84.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144.7	173.2	-56.5	-175.1	0	0	0	110.1	F386 L425 L443 F446 L488 V542 T564 V565 L567	F386-L545 HydrophobicContact CB-CD2 4.13Å; L425-L545 HydrophobicContact CD1-CD1 4.42Å; L425-L545 HydrophobicContact CD1-CD2 3.7Å; L443-L545 HydrophobicContact CD1-CB 4.16Å; L443-L545 HydrophobicContact CD1-CD1 4.12Å; F446-L545 HydrophobicContact CD1-CD1 4.46Å; F446-L545 HydrophobicContact CE1-CD1 4.27Å; L488-L545 HydrophobicContact CD1-CD1 3.81Å; V542-L545 HydrophobicContact CG1-CD2 3.9Å; L545-T564 WeakPolarHBondContact O-CA 3.24Å; L545-V565 HydrophobicContact CB-CG2 3.85Å; L545-V565 PolarHBondContact N-O 2.79Å; L545-V565 PolarHBondContact O-N 3.21Å; L545-L567 HydrophobicContact CD1-CD1 4.15Å; L545-L567 HydrophobicContact CD1-CD2 4.13Å; L545-L567 HydrophobicContact CD1-CG 4.46Å; L545-L567 HydrophobicContact CD2-CD1 4.46Å; L545-L567 HydrophobicContact CG-CD1 4.06Å; L545-L567 HydrophobicContact CG-CD2 4.33Å; L545-L567 HydrophobicContact CG-CG 4.23Å
546	H	94.6	Very high	83.2	Confident	16 Å²	16	58.5 Å²	58.5	7%	0.074	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.7	179.8	-53	-79.1	0	0	0	110.1	I384 T385 I561 C563 T564	I384-H546 WeakPolarHBondContact CA-O 3.47Å; T385-H546 HydrophobicContact CG2-CB 4.13Å; T385-H546 PolarHBondContact N-O 3.35Å; T385-H546 PolarHBondContact O-N 3.14Å; H546-I561 HydrophobicContact CB-CG2 3.97Å; H546-C563 CarbonylContact C-O 3.49Å; H546-C563 VanDerWaalsContact CA-O 3.32Å; H546-C563 WeakPolarHBondContact CA-O 3.38Å; H546-T564 PolarHBondContact ND1-OG1 3.46Å
547	L	94.9	Very high	82.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	114.5	162.5	171.3	63.1	0	0	0	107.7	H382 I384 L428 A439 A440 L443 I562 C563	H382-L547 HydrophobicContact CB-CD1 4.05Å; I384-L547 HydrophobicContact CD1-CB 3.99Å; I384-L547 HydrophobicContact CD1-CD1 3.71Å; I384-L547 HydrophobicContact CD1-CG 4.41Å; L428-L547 HydrophobicContact CD1-CD1 4.14Å; A439-L547 HydrophobicContact CB-CD2 4.39Å; A440-L547 HydrophobicContact CB-CD2 4.04Å; L443-L547 HydrophobicContact CD2-CB 3.92Å; L547-I562 HydrophobicContact CD2-CB 4.34Å; L547-I562 HydrophobicContact CD2-CG2 4.03Å; L547-I562 HydrophobicContact CG-CB 4.32Å; L547-I562 PolarHBondContact O-N 2.75Å; L547-C563 HydrophobicContact CB-CB 4.11Å; L547-C563 PolarHBondContact N-O 2.94Å; L547-C563 PolarHBondContact O-N 3.5Å
548	C	93.8	Very high	82.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	152.9	-176.4	-69	0	0	0	0	112.1	H382 F383 D560	H382-C548 CarbonylContact C-O 3.36Å; H382-C548 WeakPolarHBondContact CA-O 2.9Å; F383-C548 HydrophobicContact CD1-CB 3.96Å; F383-C548 HydrophobicContact CE1-CB 3.53Å; F383-C548 HydrophobicContact CE2-CB 4.22Å; F383-C548 HydrophobicContact CG-CB 4.47Å; F383-C548 HydrophobicContact CZ-CB 3.68Å; F383-C548 PolarHBondContact N-O 3.41Å; F383-C548 PolarHBondContact O-N 2.91Å; C548-D560 WeakPolarHBondContact CA-O 3.42Å
549	T	91.8	Very high	82.8	Confident	15 Å²	15	56.3 Å²	56.3	9%	0.092	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	146.9	166.2	70.2	0	0	0	0	110.6	F383 D560 I562	F383-T549 WeakPolarHBondContact CE1-O 3.29Å; T549-D560 HydrophobicContact CG2-CB 4.43Å; T549-D560 PolarHBondContact N-O 3.39Å; T549-D560 VanDerWaalsContact N-O 3.09Å; T549-I562 HydrophobicContact CG2-CD1 3.52Å; T549-I562 HydrophobicContact CG2-CG1 4.26Å
550	V	85.1	Confident	82.8	Confident	71 Å²	71	51 Å²	51	43%	0.43	29%	0.291	S	S	.	.	S	Bend	trans	-79.6	-30.3	168.6	-179.6	0	0	0	0	110.8	T381 F383	T381-V550 PolarHBondContact O-N 3.26Å; F383-V550 HydrophobicContact CD1-CG2 3.81Å; F383-V550 HydrophobicContact CE1-CG2 4.39Å
551	R	69.1	Low	82.8	Confident	173 Å²	173	53.2 Å²	53.2	65%	0.653	30%	0.302	S	S	*	.	S	Bend	trans	-129.8	97.7	-177.5	-173.9	178.7	-71.2	-168.8	-0.1	109.4	E351	E351-R551 IonicContact OE1-NH2 2.77Å; E351-R551 PolarHBondContact OE1-NH2 2.94Å; E351-R551 IonicContact OE2-NH2 2.72Å; E351-R551 PolarHBondContact OE2-NH2 2.85Å
552	G	62	Low	82.8	Confident	46 Å²	46	53.6 Å²	53.6	47%	0.474	30%	0.301	S	S	.	.	S	Bend	trans	-166.6	169.3	-178.8	0	0	0	0	0	111.1
553	A	59.3	Low	82.9	Confident	83 Å²	83	53.6 Å²	53.6	69%	0.686	30%	0.301	S	S	*	.			trans	-73.2	136.3	179.9	0	0	0	0	0	111.4	V555	A553-V555 PolarHBondContact O-N 2.7Å; A553-V555 VanDerWaalsContact O-N 3.12Å
554	E	71.3	Confident	83.1	Confident	103 Å²	103	53.1 Å²	53.1	48%	0.481	30%	0.302	S	S	.	.			trans	-77.4	101.4	-173.7	-67.5	-173.5	-164.2	0	0	113.1	K420 N556 F558	K420-E554 VanDerWaalsContact CE-OE1 3.31Å; K420-E554 WeakPolarHBondContact CE-OE1 3.2Å; K420-E554 WeakPolarHBondContact CE-OE2 3.11Å; K420-E554 IonicContact NZ-OE1 3.74Å; K420-E554 PolarHBondContact NZ-OE1 3.41Å; K420-E554 IonicContact NZ-OE2 2.69Å; K420-E554 PolarHBondContact NZ-OE2 3.02Å; E554-N556 PolarHBondContact O-N 3Å; E554-F558 CarbonylContact C-O 3.59Å; E554-F558 WeakPolarHBondContact CA-O 3.35Å; E554-F558 WeakPolarHBondContact CB-O 3.49Å
555	V	63.8	Low	83.2	Confident	78 Å²	78	51.8 Å²	51.8	47%	0.473	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-76.3	115.8	177.7	-174.1	0	0	0	0	109.5	A553 G557 F558	A553-V555 PolarHBondContact O-N 2.7Å; A553-V555 VanDerWaalsContact O-N 3.12Å; V555-G557 VanDerWaalsContact C-N 3.26Å; V555-G557 PolarHBondContact O-N 3.49Å; V555-F558 PolarHBondContact N-O 3.14Å; V555-F558 PolarHBondContact O-N 3.13Å; V555-F558 VanDerWaalsContact O-N 3.17Å
556	N	65.3	Low	83	Confident	156 Å²	156	55.2 Å²	55.2	83%	0.834	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	33.9	-176.5	-55.5	-53.1	0	0	0	114.1	E554 F558	E554-N556 PolarHBondContact O-N 3Å; N556-F558 VanDerWaalsContact C-N 3.25Å; N556-F558 PolarHBondContact O-N 3.08Å
557	G	77.3	Confident	82.6	Confident	27 Å²	27	55.4 Å²	55.4	28%	0.278	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	25.8	-178.1	0	0	0	0	0	113.6	S419 K420 V555	S419-G557 VanDerWaalsContact CB-O 3.26Å; S419-G557 WeakPolarHBondContact CB-O 3.4Å; S419-G557 PolarHBondContact OG-O 3.47Å; K420-G557 WeakPolarHBondContact CG-O 3.31Å; V555-G557 VanDerWaalsContact C-N 3.26Å; V555-G557 PolarHBondContact O-N 3.49Å
558	F	85.9	Confident	81.3	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.009	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-126	163.3	168.9	-168	-108.6	0	0	0	109.4	T385 R387 S419 H422 E554 V555 N556 I561	T385-F558 HydrophobicContact CG2-CZ 4.34Å; R387-F558 HydrophobicContact CG-CE1 4.11Å; R387-F558 HydrophobicContact CG-CE2 3.9Å; R387-F558 HydrophobicContact CG-CZ 3.56Å; S419-F558 WeakPolarHBondContact O-CD2 3.45Å; H422-F558 HydrophobicContact CB-CE2 4.09Å; H422-F558 HydrophobicContact CB-CZ 4.26Å; E554-F558 CarbonylContact C-O 3.59Å; E554-F558 WeakPolarHBondContact CA-O 3.35Å; E554-F558 WeakPolarHBondContact CB-O 3.49Å; V555-F558 PolarHBondContact N-O 3.14Å; V555-F558 PolarHBondContact O-N 3.13Å; V555-F558 VanDerWaalsContact O-N 3.17Å; N556-F558 VanDerWaalsContact C-N 3.25Å; N556-F558 PolarHBondContact O-N 3.08Å; F558-I561 HydrophobicContact CD1-CD1 3.71Å; F558-I561 HydrophobicContact CD1-CG1 3.86Å; F558-I561 HydrophobicContact CE1-CD1 3.92Å; F558-I561 HydrophobicContact CE1-CG1 4.06Å
559	Y	87	Confident	80.7	Confident	54 Å²	54	70.6 Å²	70.6	21%	0.212	39%	0.386	C	S	.	.			trans	-56.4	143.4	173.4	-57	-90.4	0	0	0	111.2	F383 K420 H422 I561	F383-Y559 AromaticContact CE1-CD1 3.98Å; F383-Y559 HydrophobicContact CE1-CD1 3.98Å; F383-Y559 HydrophobicContact CE1-CE1 4.48Å; F383-Y559 HydrophobicContact CE1-CG 4.12Å; F383-Y559 AromaticContact CZ-CD1 3.87Å; F383-Y559 HydrophobicContact CZ-CD1 3.87Å; F383-Y559 AromaticContact CZ-CD2 3.86Å; F383-Y559 HydrophobicContact CZ-CD2 3.86Å; F383-Y559 HydrophobicContact CZ-CE1 4.23Å; F383-Y559 HydrophobicContact CZ-CE2 4.24Å; F383-Y559 AromaticContact CZ-CG 3.68Å; F383-Y559 HydrophobicContact CZ-CG 3.68Å; K420-Y559 HydrophobicContact CB-CE2 4.48Å; H422-Y559 AromaticContact CE1-CE2 3.48Å; H422-Y559 VanDerWaalsContact CE1-CE2 3.48Å; H422-Y559 WeakPolarHBondContact CE1-CE2 3.47Å; H422-Y559 AromaticContact CE1-CZ 3.81Å; H422-Y559 AromaticContact ND1-CE2 3.52Å; Y559-I561 VanDerWaalsContact O-CG1 3.24Å; Y559-I561 WeakPolarHBondContact O-CG1 3.47Å; Y559-I561 PolarHBondContact O-N 2.89Å
560	D	90.1	Very high	80.1	Confident	56 Å²	56	73.5 Å²	73.5	30%	0.299	40%	0.401	S	S	.	.			trans	-55.9	129.9	174	178	35.3	0	0	0	111.2	C548 T549	C548-D560 WeakPolarHBondContact CA-O 3.42Å; T549-D560 HydrophobicContact CG2-CB 4.43Å; T549-D560 PolarHBondContact N-O 3.39Å; T549-D560 VanDerWaalsContact N-O 3.09Å
561	I	91.7	Very high	79.8	Confident	56 Å²	56	73.7 Å²	73.7	29%	0.287	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	103.6	-171.5	-46.5	-178.9	0	0	0	110.2	H546 F558 Y559 C563 T564	H546-I561 HydrophobicContact CB-CG2 3.97Å; F558-I561 HydrophobicContact CD1-CD1 3.71Å; F558-I561 HydrophobicContact CD1-CG1 3.86Å; F558-I561 HydrophobicContact CE1-CD1 3.92Å; F558-I561 HydrophobicContact CE1-CG1 4.06Å; Y559-I561 VanDerWaalsContact O-CG1 3.24Å; Y559-I561 WeakPolarHBondContact O-CG1 3.47Å; Y559-I561 PolarHBondContact O-N 2.89Å; I561-C563 WeakPolarHBondContact CG2-O 3.38Å; I561-T564 WeakPolarHBondContact CG2-OG1 3.49Å
562	I	91.1	Very high	80.4	Confident	58 Å²	58	67.8 Å²	67.8	30%	0.297	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	-38	177.3	-70.7	150.1	0	0	0	111.9	H382 V436 L547 T549	H382-I562 WeakPolarHBondContact CD2-CD1 3.37Å; H382-I562 WeakPolarHBondContact NE2-CD1 3.5Å; V436-I562 HydrophobicContact CG1-CD1 3.77Å; V436-I562 HydrophobicContact CG1-CG1 4.31Å; V436-I562 HydrophobicContact CG1-CG2 3.67Å; L547-I562 HydrophobicContact CD2-CB 4.34Å; L547-I562 HydrophobicContact CD2-CG2 4.03Å; L547-I562 HydrophobicContact CG-CB 4.32Å; L547-I562 PolarHBondContact O-N 2.75Å; T549-I562 HydrophobicContact CG2-CD1 3.52Å; T549-I562 HydrophobicContact CG2-CG1 4.26Å
563	C	92.4	Very high	81.6	Confident	7 Å²	7	69.2 Å²	69.2	5%	0.047	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	136.1	-179.5	-168.2	0	0	0	0	110.8	A440 L443 H546 L547 I561	A440-C563 HydrophobicContact CB-CB 3.77Å; L443-C563 HydrophobicContact CD2-CB 4.48Å; H546-C563 CarbonylContact C-O 3.49Å; H546-C563 VanDerWaalsContact CA-O 3.32Å; H546-C563 WeakPolarHBondContact CA-O 3.38Å; L547-C563 HydrophobicContact CB-CB 4.11Å; L547-C563 PolarHBondContact N-O 2.94Å; L547-C563 PolarHBondContact O-N 3.5Å; I561-C563 WeakPolarHBondContact CG2-O 3.38Å
564	T	93.8	Very high	83	Confident	76 Å²	76	68.3 Å²	68.3	47%	0.466	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.5	167.8	-64	0	0	0	0	108.2	T544 L545 H546 I561	T544-T564 HydrophobicContact CG2-CG2 3.48Å; T544-T564 VanDerWaalsContact CG2-CG2 3.48Å; L545-T564 WeakPolarHBondContact O-CA 3.24Å; H546-T564 PolarHBondContact ND1-OG1 3.46Å; I561-T564 WeakPolarHBondContact CG2-OG1 3.49Å
565	V	92.4	Very high	83.9	Confident	11 Å²	11	65.8 Å²	65.8	7%	0.067	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.9	173.6	-57.6	0	0	0	0	109.9	L443 R444 A447 T544 L545	L443-V565 HydrophobicContact CD1-CG2 3.93Å; L443-V565 HydrophobicContact CD2-CG1 4.26Å; L443-V565 HydrophobicContact CD2-CG2 4.13Å; L443-V565 HydrophobicContact CG-CB 4.46Å; L443-V565 HydrophobicContact CG-CG1 3.91Å; L443-V565 HydrophobicContact CG-CG2 3.65Å; R444-V565 HydrophobicContact CB-CG1 4.49Å; R444-V565 HydrophobicContact CG-CG1 3.9Å; A447-V565 HydrophobicContact CB-CB 3.68Å; A447-V565 HydrophobicContact CB-CG1 4.39Å; A447-V565 HydrophobicContact CB-CG2 3.74Å; T544-V565 WeakPolarHBondContact CA-O 3.48Å; L545-V565 HydrophobicContact CB-CG2 3.85Å; L545-V565 PolarHBondContact N-O 2.79Å; L545-V565 PolarHBondContact O-N 3.21Å
566	A	90.6	Very high	85.4	Confident	71 Å²	71	64.8 Å²	64.8	59%	0.587	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.2	168.8	0	0	0	0	0	108.9	N543	N543-A566 CarbonylContact O-C 3.55Å; N543-A566 WeakPolarHBondContact O-CA 3.4Å
567	L	85.8	Confident	87.1	Confident	20 Å²	20	57.3 Å²	57.3	11%	0.105	30%	0.3	C	S	.	.			trans	-74.8	150.1	164.6	-53.4	-176.9	0	0	0	108.4	F446 A447 L484 N543 L545	F446-L567 HydrophobicContact CD1-CD2 4.28Å; F446-L567 HydrophobicContact CE1-CD2 4.23Å; A447-L567 HydrophobicContact CB-CD2 3.88Å; L484-L567 HydrophobicContact CD1-CD1 3.93Å; L484-L567 HydrophobicContact CD2-CD1 4Å; N543-L567 PolarHBondContact O-N 3.2Å; L545-L567 HydrophobicContact CD1-CD1 4.15Å; L545-L567 HydrophobicContact CD1-CD2 4.13Å; L545-L567 HydrophobicContact CD1-CG 4.46Å; L545-L567 HydrophobicContact CD2-CD1 4.46Å; L545-L567 HydrophobicContact CG-CD1 4.06Å; L545-L567 HydrophobicContact CG-CD2 4.33Å; L545-L567 HydrophobicContact CG-CG 4.23Å
568	R	67.4	Low	88	Confident	249 Å²	249	60 Å²	60	94%	0.94	30%	0.301	S	S	*	.			trans	-94.6	0	179.6	-68.8	-179.3	174.1	169	-2	111.5

Retrieved 568 of 568 residues in 318.7 ms (Link to these results)

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