A0A087XRN4_POEFO Loading...

Hedgehog-interacting protein

AlphaFold DB , UniProt , Accession A0A087XRN4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 697 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.4	Very low	39.4	Very low	236 Å²	236	170 Å²	170	100%	1.163	88%	0.88	S	S	*	*				0	91.7	0	-55.7	-161.8	-72.2	0	0	106.4
2	K	42.3	Very low	39.1	Very low	195 Å²	195	170.6 Å²	170.6	85%	0.848	88%	0.882	S	S	*	*				41.7	118.3	50.7	-79.7	-171.5	179.9	-178.9	0	111
3	H	44	Very low	38.7	Very low	175 Å²	175	164.2 Å²	164.2	81%	0.81	87%	0.87	S	S	*	*			trans	95.1	68	-174.2	-58.4	-68	0	0	0	116.8
4	L	38.7	Very low	38.5	Very low	178 Å²	178	161.4 Å²	161.4	93%	0.932	86%	0.862	S	S	*	*	S	Bend	trans	-153.6	38.3	148.5	-141.7	80	0	0	0	113.5
5	Q	40.6	Very low	37.8	Very low	187 Å²	187	161.7 Å²	161.7	87%	0.874	86%	0.863	S	S	*	*	S	Bend	trans	-136.9	17.3	174.4	-95.2	-170	-19.8	0	0	114.1
6	F	39.8	Very low	37.4	Very low	193 Å²	193	159.8 Å²	159.8	85%	0.846	86%	0.859	S	S	*	*	S	Bend	trans	-131.6	18.5	-173.9	-111.8	-84.6	0	0	0	116.2
7	V	40.8	Very low	36.8	Very low	140 Å²	140	164.5 Å²	164.5	85%	0.848	86%	0.862	S	S	*	*	S	Bend	trans	-117.8	-0	-178.8	-176.7	0	0	0	0	114.1
8	L	37.5	Very low	36.1	Very low	175 Å²	175	165.7 Å²	165.7	92%	0.916	86%	0.862	S	S	*	*	S	Bend	trans	-101.9	9.1	180	-130.7	96	0	0	0	115.9
9	V	40.7	Very low	35.6	Very low	136 Å²	136	163.8 Å²	163.8	82%	0.824	86%	0.864	S	S	*	*	S	Bend	trans	-117.4	2.6	-171.8	-179.4	0	0	0	0	114.3
10	L	36.5	Very low	35	Very low	163 Å²	163	159.5 Å²	159.5	85%	0.853	86%	0.86	S	S	*	*	S	Bend	trans	-134.2	21.3	-170.9	-106.5	159.3	0	0	0	117.4
11	A	33.7	Very low	34.8	Very low	92 Å²	92	160.2 Å²	160.2	76%	0.76	86%	0.863	S	S	*	*	S	Bend	trans	-139.7	31.3	-178.9	0	0	0	0	0	116.2
12	I	35.3	Very low	34.2	Very low	177 Å²	177	153.7 Å²	153.7	91%	0.908	85%	0.847	S	S	*	*	S	Bend	trans	-134.8	47.3	157.2	-45	179.1	0	0	0	109
13	A	33.9	Very low	33.4	Very low	88 Å²	88	154.3 Å²	154.3	73%	0.727	85%	0.849	S	S	*	*			trans	-122.2	48.3	167.3	0	0	0	0	0	109.2
14	V	35.8	Very low	32.6	Very low	124 Å²	124	155.5 Å²	155.5	75%	0.752	85%	0.853	S	S	*	*			trans	-150.3	92.2	162.1	-177	0	0	0	0	106.4
15	N	27.8	Very low	32.1	Very low	166 Å²	166	150.2 Å²	150.2	89%	0.888	84%	0.842	S	S	*	*			trans	-178.1	63.4	154.8	-87	-30.7	0	0	0	107.3
16	V	31.1	Very low	31.4	Very low	132 Å²	132	149.6 Å²	149.6	80%	0.8	84%	0.839	S	S	*	*			trans	-110.8	140	158.1	170.4	0	0	0	0	105.2
17	W	27.5	Very low	30.8	Very low	240 Å²	240	151.9 Å²	151.9	91%	0.909	84%	0.842	S	S	*	*			trans	80.5	97.7	178.3	-96.5	-52.9	0	0	0	116.9
18	E	25	Very low	30	Very low	185 Å²	185	148.7 Å²	148.7	86%	0.864	84%	0.837	S	S	*	*				-170.6	145.8	104.4	-102.4	175.4	173.9	0	0	112.2
19	C	26	Very low	29.5	Very low	131 Å²	131	149.7 Å²	149.7	89%	0.885	84%	0.837	S	S	*	*			trans	8.5	127.9	169	-68.7	0	0	0	0	122
20	G	24.4	Very low	28.9	Very low	76 Å²	76	151.5 Å²	151.5	78%	0.784	84%	0.841	S	S	*	*			trans	-152.2	89.4	156.5	0	0	0	0	0	110.4	A22	G20-A22 PolarHBondContact O-N 2.96Å
21	D	30.4	Very low	28.5	Very low	176 Å²	176	148 Å²	148	94%	0.941	83%	0.831	S	S	*	*			trans	-56.3	124.9	162	-83.7	-43.5	0	0	0	109.6
22	A	25.9	Very low	28.5	Very low	98 Å²	98	150 Å²	150	81%	0.81	84%	0.835	S	S	*	*			trans	-152.1	98.8	166.9	0	0	0	0	0	112.3	G20	G20-A22 PolarHBondContact O-N 2.96Å
23	K	26.4	Very low	28.8	Very low	208 Å²	208	151.9 Å²	151.9	90%	0.904	83%	0.831	S	S	*	*			trans	-3.4	132.7	151.5	-69.1	173.4	174.9	177.3	0	118.2
24	F	26.9	Very low	29.2	Very low	200 Å²	200	157.6 Å²	157.6	88%	0.877	83%	0.834	S	S	*	*			trans	-48.3	130.1	152	-107.5	-104.7	0	0	0	111.2	L122	F24-L122 HydrophobicContact CE1-CD2 4.32Å
25	G	27.2	Very low	30.2	Very low	68 Å²	68	159.2 Å²	159.2	70%	0.701	83%	0.826	S	S	*	*			trans	165.8	110.2	169.4	0	0	0	0	0	115.3
26	E	26.4	Very low	31.6	Very low	174 Å²	174	158.6 Å²	158.6	81%	0.813	81%	0.812	S	S	*	*			trans	73.2	118.4	146.3	-59.7	-165.1	126.4	0	0	123.1
27	R	27.9	Very low	33	Very low	240 Å²	240	152.7 Å²	152.7	91%	0.906	78%	0.776	S	S	*	*			trans	47.3	122.3	141.2	-63.8	-176.9	-170	-161.9	2.1	120.4
28	G	24	Very low	34.4	Very low	73 Å²	73	149.1 Å²	149.1	75%	0.753	76%	0.764	S	S	*	*			trans	154.3	101.3	153.1	0	0	0	0	0	114
29	E	26	Very low	35.9	Very low	196 Å²	196	145.9 Å²	145.9	92%	0.916	75%	0.752	S	S	*	*			trans	45.3	131.1	151.4	-65.4	179.1	162.6	0	0	122	S31	E29-S31 PolarHBondContact O-N 3.39Å
30	L	28.6	Very low	37.4	Very low	175 Å²	175	141.2 Å²	141.2	92%	0.916	73%	0.726	S	S	*	*			trans	-71.1	104.3	-170.5	-70.1	110.4	0	0	0	113.7
31	S	27.6	Very low	39.1	Very low	90 Å²	90	139.7 Å²	139.7	63%	0.629	70%	0.704	S	S	*	*			trans	-83.8	150.4	149.1	61.7	0	0	0	0	110.1	E29 R33	E29-S31 PolarHBondContact O-N 3.39Å; S31-R33 PolarHBondContact O-N 3.45Å
32	P	33.6	Very low	40.4	Very low	132 Å²	132	137 Å²	137	86%	0.857	69%	0.689	S	S	*	*			trans	-66.8	99.8	-178	26.1	-31.2	0	0	0	109.5	R34	P32-R34 PolarHBondContact O-N 3.37Å; P32-R34 VanDerWaalsContact O-N 3.14Å
33	R	41.6	Very low	42.2	Very low	217 Å²	217	133.8 Å²	133.8	82%	0.819	66%	0.659	S	S	*	*			trans	-45.5	117.7	-179.4	-71.5	-179.4	173.5	174.4	-2.4	110.7	S31 R35	S31-R33 PolarHBondContact O-N 3.45Å; R33-R35 PolarHBondContact O-N 2.84Å
34	R	43.6	Very low	43.8	Very low	208 Å²	208	131.2 Å²	131.2	79%	0.785	65%	0.648	S	S	*	*			trans	-56.2	112.1	162.1	-74.7	-176.2	-179.7	-164.4	1.8	107.3	P32 R36	P32-R34 PolarHBondContact O-N 3.37Å; P32-R34 VanDerWaalsContact O-N 3.14Å; R34-R36 PolarHBondContact O-N 3.46Å
35	R	55.9	Low	45.3	Very low	158 Å²	158	131.9 Å²	131.9	60%	0.596	65%	0.645	S	S	*	*			trans	-62.5	122.7	-179.9	-59	-178.9	-171.9	-172.4	-0.3	108.5	R33 P43	R33-R35 PolarHBondContact O-N 2.84Å; R35-P43 HydrophobicContact CB-CG 4.21Å; R35-P43 WeakPolarHBondContact O-CD 2.99Å; R35-P43 WeakPolarHBondContact O-CG 3.38Å
36	R	58.6	Low	46.7	Very low	154 Å²	154	130 Å²	130	58%	0.581	62%	0.619	S	S	*	*			trans	-123.8	151.4	177.5	-70	-176.5	-175.7	-115.5	11.1	109.5	R34 G40 S41	R34-R36 PolarHBondContact O-N 3.46Å; R36-G40 PolarHBondContact NH1-O 3.36Å; R36-G40 VanDerWaalsContact NH1-O 3.12Å; R36-S41 WeakPolarHBondContact CA-O 3.47Å
37	C	60.3	Low	47.9	Very low	8 Å²	8	129.4 Å²	129.4	5%	0.054	61%	0.613	C	S	.	*			trans	-81.4	167.3	172.1	-60.9	0	0	0	0	110.7	D39 G40 S41 C73	C37-D39 WeakPolarHBondContact CB-OD1 3.39Å; C37-D39 PolarHBondContact O-N 3.37Å; C37-D39 VanDerWaalsContact O-N 3.16Å; C37-G40 WeakPolarHBondContact O-CA 3.23Å; C37-G40 PolarHBondContact O-N 3.11Å; C37-S41 WeakPolarHBondContact CB-OG 3.12Å; C37-S41 PolarHBondContact N-O 3.49Å; C37-C73 WeakPolarHBondContact CA-SG 3.42Å; C37-C73 HydrophobicContact CB-CB 3.59Å; C37-C73 WeakPolarHBondContact CB-SG 3.3Å; C37-C73 WeakPolarHBondContact SG-CA 3.34Å; C37-C73 WeakPolarHBondContact SG-CB 3.01Å; C37-C73 CovalentContact SG-SG 2.03Å; C37-C73 PolarHBondContact SG-SG 2.77Å
38	Y	57	Low	48.8	Very low	165 Å²	165	126.6 Å²	126.6	65%	0.647	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.1	-41.1	179.2	-158.7	-115.9	0	0	0	114.9	G40 Q116 H120	Y38-G40 PolarHBondContact O-N 3.41Å; Y38-Q116 HydrophobicContact CD2-CG 4.28Å; Y38-Q116 VanDerWaalsContact CG-NE2 3.27Å; Y38-Q116 VanDerWaalsContact N-OE1 3.13Å; Y38-H120 AromaticContact CE2-NE2 3.55Å
39	D	56.7	Low	49.8	Very low	116 Å²	116	134 Å²	134	62%	0.62	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	7.5	-179.6	63	-14.3	0	0	0	112.5	C37 S41	C37-D39 WeakPolarHBondContact CB-OD1 3.39Å; C37-D39 PolarHBondContact O-N 3.37Å; C37-D39 VanDerWaalsContact O-N 3.16Å; D39-S41 VanDerWaalsContact CG-OG 3.22Å; D39-S41 PolarHBondContact O-N 3.45Å; D39-S41 VanDerWaalsContact OD1-CB 3.22Å; D39-S41 WeakPolarHBondContact OD1-CB 3.24Å; D39-S41 PolarHBondContact OD1-N 3.47Å; D39-S41 VanDerWaalsContact OD1-N 3.12Å; D39-S41 PolarHBondContact OD1-OG 3.34Å; D39-S41 WeakPolarHBondContact OD2-CB 3.21Å; D39-S41 PolarHBondContact OD2-OG 3.34Å; D39-S41 VanDerWaalsContact OD2-OG 3.09Å
40	G	55.6	Low	50.7	Low	33 Å²	33	129.4 Å²	129.4	34%	0.34	59%	0.592	S	S	.	*	S	Bend	trans	75.7	-0.5	-176.2	0	0	0	0	0	114.2	R36 C37 Y38	R36-G40 PolarHBondContact NH1-O 3.36Å; R36-G40 VanDerWaalsContact NH1-O 3.12Å; C37-G40 WeakPolarHBondContact O-CA 3.23Å; C37-G40 PolarHBondContact O-N 3.11Å; Y38-G40 PolarHBondContact O-N 3.41Å
41	S	60.3	Low	51.6	Low	45 Å²	45	127.3 Å²	127.3	32%	0.315	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-74.1	158.1	-177.1	76.5	0	0	0	0	112.6	R36 C37 D39	R36-S41 WeakPolarHBondContact CA-O 3.47Å; C37-S41 WeakPolarHBondContact CB-OG 3.12Å; C37-S41 PolarHBondContact N-O 3.49Å; D39-S41 VanDerWaalsContact CG-OG 3.22Å; D39-S41 PolarHBondContact O-N 3.45Å; D39-S41 VanDerWaalsContact OD1-CB 3.22Å; D39-S41 WeakPolarHBondContact OD1-CB 3.24Å; D39-S41 PolarHBondContact OD1-N 3.47Å; D39-S41 VanDerWaalsContact OD1-N 3.12Å; D39-S41 PolarHBondContact OD1-OG 3.34Å; D39-S41 WeakPolarHBondContact OD2-CB 3.21Å; D39-S41 PolarHBondContact OD2-OG 3.34Å; D39-S41 VanDerWaalsContact OD2-OG 3.09Å
42	L	59.1	Low	52.3	Low	120 Å²	120	132 Å²	132	63%	0.628	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-79	132.4	174.8	-75.7	169.3	0	0	0	110.1	K44	L42-K44 PolarHBondContact O-N 3.46Å
43	P	62.6	Low	52.8	Low	29 Å²	29	130.8 Å²	130.8	19%	0.188	57%	0.57	C	S	.	*	P	Polyproline II helix	trans	-59	130	-179.2	-21.4	30.1	0	0	0	111.8	R35 V71 P113	R35-P43 HydrophobicContact CB-CG 4.21Å; R35-P43 WeakPolarHBondContact O-CD 2.99Å; R35-P43 WeakPolarHBondContact O-CG 3.38Å; P43-V71 HydrophobicContact CB-CG1 3.1Å; P43-V71 HydrophobicContact CG-CG1 4.15Å; P43-P113 HydrophobicContact CG-CB 4.27Å
44	K	60.7	Low	53	Low	154 Å²	154	123.5 Å²	123.5	67%	0.67	55%	0.547	S	S	*	.	B	Isolated β-bridge	trans	-81.2	134.1	-178	-72.1	-178.9	-179.6	173.6	0	110.8	L42 S72	L42-K44 PolarHBondContact O-N 3.46Å; K44-S72 PolarHBondContact N-O 3.35Å; K44-S72 PolarHBondContact O-N 3.28Å
45	R	57.1	Low	52.9	Low	215 Å²	215	121.9 Å²	121.9	81%	0.811	55%	0.553	S	S	*	*			trans	-86.9	113	174.1	-160.9	176.7	-173.9	179.8	1	109	K47	R45-K47 PolarHBondContact O-N 3.02Å
46	L	58	Low	51.9	Low	28 Å²	28	121.5 Å²	121.5	15%	0.147	56%	0.563	C	S	.	*			trans	-62.5	128.2	-179	-69.7	162.6	0	0	0	110.6
47	K	51.3	Low	51.2	Low	162 Å²	162	117.5 Å²	117.5	70%	0.704	57%	0.57	S	S	*	*			trans	-78	148.5	-175.6	-74.4	-177.1	179.4	177.2	0	110.3	R45 R49 E50	R45-K47 PolarHBondContact O-N 3.02Å; K47-R49 PolarHBondContact O-N 3.3Å; K47-E50 PolarHBondContact N-OE2 3.36Å; K47-E50 VanDerWaalsContact N-OE2 3.12Å; K47-E50 WeakPolarHBondContact O-CB 3.19Å; K47-E50 PolarHBondContact O-N 2.87Å
48	K	47.6	Very low	50.2	Low	181 Å²	181	122.2 Å²	122.2	79%	0.787	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	-22.8	-175.3	-155.9	178.3	-177	-177.8	0	114.3
49	R	43.6	Very low	49.4	Very low	229 Å²	229	117.6 Å²	117.6	86%	0.864	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-25.9	177.3	-154.7	176.3	-176.7	-176.7	0.1	113	K47	K47-R49 PolarHBondContact O-N 3.3Å
50	E	45.9	Very low	48.8	Very low	99 Å²	99	116.1 Å²	116.1	46%	0.463	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-83.1	-18	176.4	-64.7	166.6	157.5	0	0	112.4	K47 K52	K47-E50 PolarHBondContact N-OE2 3.36Å; K47-E50 VanDerWaalsContact N-OE2 3.12Å; K47-E50 WeakPolarHBondContact O-CB 3.19Å; K47-E50 PolarHBondContact O-N 2.87Å; E50-K52 VanDerWaalsContact C-N 3.28Å; E50-K52 PolarHBondContact O-N 2.81Å
51	R	48	Very low	48.5	Very low	130 Å²	130	116.5 Å²	116.5	49%	0.491	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-76.5	-11.5	175.1	-67.4	-176.7	180	165.1	1.3	114	P69	R51-P69 PolarHBondContact NE-O 3.41Å; R51-P69 PolarHBondContact NH2-O 3.2Å
52	K	41.3	Very low	48.2	Very low	189 Å²	189	115.5 Å²	115.5	82%	0.822	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-111.3	4.6	-165.5	-119.1	-172.1	179.6	-166.8	0	115.3	E50	E50-K52 VanDerWaalsContact C-N 3.28Å; E50-K52 PolarHBondContact O-N 2.81Å
53	V	44.8	Very low	48	Very low	106 Å²	106	111.1 Å²	111.1	64%	0.642	57%	0.566	S	S	*	*			trans	-116.6	58.1	179	-169.2	0	0	0	0	110.9
54	L	44.6	Very low	47.9	Very low	64 Å²	64	111.2 Å²	111.2	34%	0.335	57%	0.567	S	S	.	*			trans	-139.8	42.6	-179.9	-86.4	164.9	0	0	0	111.8	E62	L54-E62 HydrophobicContact CD2-CB 4.24Å; L54-E62 VanDerWaalsContact CD2-CD 3.41Å; L54-E62 HydrophobicContact CD2-CG 3.77Å; L54-E62 WeakPolarHBondContact CD2-OE1 3.34Å
55	L	42	Very low	47.7	Very low	175 Å²	175	106.1 Å²	106.1	92%	0.916	55%	0.545	S	S	*	.	S	Bend	trans	-109.2	-5.9	166.6	-87.2	161	0	0	0	113.3
56	D	34.7	Very low	47.8	Very low	149 Å²	149	104 Å²	104	80%	0.797	54%	0.538	S	S	*	.	S	Bend	trans	-111.8	115.6	171.2	-84.1	-25.6	0	0	0	109.6
57	G	43.7	Very low	47.8	Very low	71 Å²	71	104.5 Å²	104.5	73%	0.732	54%	0.54	S	S	*	.			trans	-69.3	156.7	-177.3	0	0	0	0	0	113.7
58	S	40.1	Very low	48.5	Very low	106 Å²	106	98.2 Å²	98.2	74%	0.741	51%	0.512	S	S	*	.			trans	123.5	91.4	163.6	-175.5	0	0	0	0	112.1
59	S	39.6	Very low	48.9	Very low	68 Å²	68	92.5 Å²	92.5	48%	0.476	49%	0.494	S	S	.	.			trans	160.8	145.1	133.6	53.3	0	0	0	0	111.1	G61 E62	S59-G61 PolarHBondContact O-N 3.05Å; S59-E62 WeakPolarHBondContact O-CG 2.98Å; S59-E62 PolarHBondContact O-N 2.88Å
60	S	44.9	Very low	49.6	Very low	86 Å²	86	90.7 Å²	90.7	60%	0.601	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	12.8	-177.1	49.7	0	0	0	0	117.1
61	G	47.8	Very low	50.4	Low	40 Å²	40	88.4 Å²	88.4	41%	0.412	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	2.2	172.8	0	0	0	0	0	114.6	S59	S59-G61 PolarHBondContact O-N 3.05Å
62	E	54.5	Low	51.2	Low	25 Å²	25	82.6 Å²	82.6	12%	0.117	46%	0.458	C	S	.	.	S	Bend	trans	-95	-20.4	-166.2	-69.8	-177.9	164.7	0	0	115	L54 S59 R66 R77	L54-E62 HydrophobicContact CD2-CB 4.24Å; L54-E62 VanDerWaalsContact CD2-CD 3.41Å; L54-E62 HydrophobicContact CD2-CG 3.77Å; L54-E62 WeakPolarHBondContact CD2-OE1 3.34Å; S59-E62 WeakPolarHBondContact O-CG 2.98Å; S59-E62 PolarHBondContact O-N 2.88Å; E62-R66 PolarHBondContact O-N 2.94Å; E62-R77 IonicContact OE1-CZ 3.37Å; E62-R77 IonicContact OE1-NH2 2.73Å; E62-R77 PolarHBondContact OE1-NH2 3.06Å
63	V	56.3	Low	52.3	Low	27 Å²	27	74.8 Å²	74.8	16%	0.164	43%	0.427	C	S	.	.	H	α-helix	trans	-70.8	-44	-173.5	179.9	0	0	0	0	112.3	H65 R66 L67 E104	V63-H65 VanDerWaalsContact C-N 3.3Å; V63-H65 PolarHBondContact O-N 2.03Å; V63-R66 WeakPolarHBondContact O-CB 3.39Å; V63-R66 PolarHBondContact O-N 2.95Å; V63-R66 VanDerWaalsContact O-N 3.16Å; V63-L67 HydrophobicContact CG1-CD1 4.08Å; V63-L67 WeakPolarHBondContact O-CG 3.24Å; V63-L67 PolarHBondContact O-N 3.48Å; V63-E104 HydrophobicContact CG1-CB 4.42Å; V63-E104 WeakPolarHBondContact CG2-OE2 3.25Å
64	C	58.8	Low	53.1	Low	32 Å²	32	71.9 Å²	71.9	22%	0.216	41%	0.411	C	S	.	.	H	α-helix	trans	-67.6	-30.2	-177	-52.4	0	0	0	0	113.2	L67 Y68 C108	C64-L67 PolarHBondContact O-N 2.85Å; C64-Y68 WeakPolarHBondContact O-CD2 3.38Å; C64-Y68 PolarHBondContact O-N 3.1Å; C64-C108 WeakPolarHBondContact CA-SG 3.07Å; C64-C108 HydrophobicContact CB-CB 3.66Å; C64-C108 WeakPolarHBondContact CB-SG 3.35Å; C64-C108 PolarHBondContact N-SG 2.9Å; C64-C108 WeakPolarHBondContact SG-CA 3.29Å; C64-C108 WeakPolarHBondContact SG-CB 3.29Å; C64-C108 CovalentContact SG-SG 2.03Å; C64-C108 PolarHBondContact SG-SG 2.76Å
65	H	57.5	Low	53.5	Low	46 Å²	46	72.7 Å²	72.7	21%	0.213	42%	0.421	C	S	.	.	H	α-helix	trans	-73.3	-29	176.5	-77.7	-62.3	0	0	0	112.9	V63	V63-H65 VanDerWaalsContact C-N 3.3Å; V63-H65 PolarHBondContact O-N 2.03Å
66	R	58.8	Low	53.9	Low	172 Å²	172	68 Å²	68	65%	0.649	40%	0.399	S	S	*	.	H	α-helix	trans	-68.3	-38.9	170.2	-71.7	-177.8	179	176.9	1.3	111.6	E62 V63	E62-R66 PolarHBondContact O-N 2.94Å; V63-R66 WeakPolarHBondContact O-CB 3.39Å; V63-R66 PolarHBondContact O-N 2.95Å; V63-R66 VanDerWaalsContact O-N 3.16Å
67	L	58.3	Low	54.5	Low	38 Å²	38	68.5 Å²	68.5	20%	0.199	39%	0.39	C	S	.	.	H	α-helix	trans	-72.3	-37	179.8	-67.6	170.9	0	0	0	113.1	V63 C64 P69 E105 C108	V63-L67 HydrophobicContact CG1-CD1 4.08Å; V63-L67 WeakPolarHBondContact O-CG 3.24Å; V63-L67 PolarHBondContact O-N 3.48Å; C64-L67 PolarHBondContact O-N 2.85Å; L67-P69 VanDerWaalsContact C-CD 3.4Å; L67-P69 VanDerWaalsContact O-CD 3.31Å; L67-P69 WeakPolarHBondContact O-CD 3.05Å; L67-E105 HydrophobicContact CD1-CB 4.29Å; L67-E105 HydrophobicContact CD1-CG 4.15Å; L67-C108 HydrophobicContact CD1-CB 3.71Å
68	Y	65.2	Low	54.3	Low	30 Å²	30	76.3 Å²	76.3	12%	0.118	40%	0.397	C	S	.	.			trans	-123.8	66.2	-176.1	-52.9	-66.5	0	0	0	113.1	C64 R70 C108 C111 S112	C64-Y68 WeakPolarHBondContact O-CD2 3.38Å; C64-Y68 PolarHBondContact O-N 3.1Å; Y68-R70 VanDerWaalsContact C-N 3.29Å; Y68-R70 PolarHBondContact O-N 3.28Å; Y68-C108 HydrophobicContact CE2-CB 4.02Å; Y68-C108 WeakPolarHBondContact CE2-O 3.44Å; Y68-C111 HydrophobicContact CD2-CB 4.47Å; Y68-S112 VanDerWaalsContact CE1-CB 3.47Å
69	P	56	Low	54.2	Low	61 Å²	61	74.5 Å²	74.5	40%	0.396	39%	0.389	S	S	.	.	S	Bend	trans	-76.8	-10.8	-170.3	29.9	-36.6	0	0	0	114.8	R51 L67	R51-P69 PolarHBondContact NE-O 3.41Å; R51-P69 PolarHBondContact NH2-O 3.2Å; L67-P69 VanDerWaalsContact C-CD 3.4Å; L67-P69 VanDerWaalsContact O-CD 3.31Å; L67-P69 WeakPolarHBondContact O-CD 3.05Å
70	R	58.4	Low	54.1	Low	191 Å²	191	76 Å²	76	72%	0.721	40%	0.396	S	S	*	.	S	Bend	trans	-100.8	-44.2	-174.8	-67.5	-173.7	179.5	-176.3	1.6	112.8	Y68	Y68-R70 VanDerWaalsContact C-N 3.29Å; Y68-R70 PolarHBondContact O-N 3.28Å
71	V	62.4	Low	54.1	Low	51 Å²	51	77.4 Å²	77.4	31%	0.309	39%	0.388	S	S	.	.			trans	-150.7	125.8	-171.9	-177.6	0	0	0	0	107.6	P43 P113	P43-V71 HydrophobicContact CB-CG1 3.1Å; P43-V71 HydrophobicContact CG-CG1 4.15Å; V71-P113 HydrophobicContact CG1-CG 4.28Å
72	S	65.2	Low	53.7	Low	7 Å²	7	83.9 Å²	83.9	5%	0.049	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-136.5	144.1	179.3	173.7	0	0	0	0	110.4	K44 C74	K44-S72 PolarHBondContact N-O 3.35Å; K44-S72 PolarHBondContact O-N 3.28Å; S72-C74 PolarHBondContact OG-N 3.32Å; S72-C74 VanDerWaalsContact OG-N 3.08Å; S72-C74 PolarHBondContact OG-O 2.85Å
73	C	65.8	Low	52.9	Low	25 Å²	25	89.5 Å²	89.5	17%	0.169	44%	0.437	C	S	.	.	S	Bend	trans	-88	-9.5	172.1	-71.9	0	0	0	0	113.6	C37 C111	C37-C73 WeakPolarHBondContact CA-SG 3.42Å; C37-C73 HydrophobicContact CB-CB 3.59Å; C37-C73 WeakPolarHBondContact CB-SG 3.3Å; C37-C73 WeakPolarHBondContact SG-CA 3.34Å; C37-C73 WeakPolarHBondContact SG-CB 3.01Å; C37-C73 CovalentContact SG-SG 2.03Å; C37-C73 PolarHBondContact SG-SG 2.77Å; C73-C111 PolarHBondContact N-O 2.74Å
74	C	61.7	Low	52.2	Low	45 Å²	45	92.3 Å²	92.3	30%	0.304	45%	0.451	S	S	.	.	S	Bend	trans	-99.9	127.7	-180	-64.7	0	0	0	0	111.2	S72 C111	S72-C74 PolarHBondContact OG-N 3.32Å; S72-C74 VanDerWaalsContact OG-N 3.08Å; S72-C74 PolarHBondContact OG-O 2.85Å; C74-C111 HydrophobicContact CB-CB 3.87Å; C74-C111 WeakPolarHBondContact CB-SG 2.98Å; C74-C111 WeakPolarHBondContact SG-CA 3.44Å; C74-C111 WeakPolarHBondContact SG-CB 3.45Å; C74-C111 CovalentContact SG-SG 2.05Å; C74-C111 PolarHBondContact SG-SG 2.92Å
75	P	52.1	Low	51.3	Low	82 Å²	82	98.5 Å²	98.5	53%	0.532	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-84.7	148.6	177.7	33.7	-30.9	0	0	0	112.2
76	T	51.1	Low	50.2	Low	77 Å²	77	108.3 Å²	108.3	47%	0.472	51%	0.511	S	S	.	.	S	Bend	trans	-46.3	139.2	-173.2	37.9	0	0	0	0	118.1	R78	T76-R78 VanDerWaalsContact C-N 3.29Å; T76-R78 PolarHBondContact O-N 3.23Å
77	R	46.7	Very low	49.1	Very low	158 Å²	158	103 Å²	103	60%	0.596	51%	0.511	S	S	*	.	S	Bend	trans	43.3	-5.2	152.6	-92.1	-170.7	177.5	-171.9	-0.2	122.5	E62	E62-R77 IonicContact OE1-CZ 3.37Å; E62-R77 IonicContact OE1-NH2 2.73Å; E62-R77 PolarHBondContact OE1-NH2 3.06Å
78	R	39.6	Very low	48.2	Very low	235 Å²	235	106 Å²	106	89%	0.887	53%	0.527	S	S	*	.	S	Bend	trans	-135.7	-3.5	176.1	-79.9	-173.6	179.4	174.5	-0.9	116.2	T76 T80	T76-R78 VanDerWaalsContact C-N 3.29Å; T76-R78 PolarHBondContact O-N 3.23Å; R78-T80 PolarHBondContact O-N 2.81Å; R78-T80 VanDerWaalsContact O-N 3.1Å
79	A	38.7	Very low	47.2	Very low	69 Å²	69	109.3 Å²	109.3	57%	0.57	56%	0.56	S	S	*	*			trans	-86.3	58	166.7	0	0	0	0	0	109.7	Y81	A79-Y81 PolarHBondContact O-N 2.77Å; A79-Y81 VanDerWaalsContact O-N 3.12Å
80	T	37.2	Very low	46.7	Very low	100 Å²	100	117.7 Å²	117.7	61%	0.613	58%	0.584	S	S	*	*			trans	-58.9	113	164.7	-30.5	0	0	0	0	106.1	R78 Q82	R78-T80 PolarHBondContact O-N 2.81Å; R78-T80 VanDerWaalsContact O-N 3.1Å; T80-Q82 PolarHBondContact O-N 3.4Å
81	Y	44.7	Very low	46.2	Very low	114 Å²	114	110.3 Å²	110.3	45%	0.447	56%	0.559	S	S	.	*	S	Bend	trans	60	42.8	148.4	-71.8	-108.2	0	0	0	118.2	A79 L84	A79-Y81 PolarHBondContact O-N 2.77Å; A79-Y81 VanDerWaalsContact O-N 3.12Å; Y81-L84 HydrophobicContact CD1-CB 4.05Å; Y81-L84 HydrophobicContact CD1-CD1 3.36Å; Y81-L84 HydrophobicContact CD1-CG 4.34Å; Y81-L84 HydrophobicContact CE1-CD1 3.54Å; Y81-L84 HydrophobicContact CG-CD1 4.32Å
82	Q	38	Very low	45.7	Very low	176 Å²	176	110.2 Å²	110.2	82%	0.822	55%	0.554	S	S	*	*	S	Bend	trans	-97	-6.1	168.7	-78.1	-173.4	-16	0	0	115.2	T80 L84	T80-Q82 PolarHBondContact O-N 3.4Å; Q82-L84 VanDerWaalsContact C-N 3.26Å
83	I	39.6	Very low	45.1	Very low	144 Å²	144	114.6 Å²	114.6	74%	0.738	59%	0.585	S	S	*	*	S	Bend	trans	-85.9	-2	166.1	-57.1	174.4	0	0	0	110.9
84	L	40.1	Very low	44.6	Very low	85 Å²	85	114.8 Å²	114.8	45%	0.445	59%	0.585	S	S	.	*			trans	-112.2	24.3	-174.5	-87.4	164.2	0	0	0	114.5	Y81 Q82	Y81-L84 HydrophobicContact CD1-CB 4.05Å; Y81-L84 HydrophobicContact CD1-CD1 3.36Å; Y81-L84 HydrophobicContact CD1-CG 4.34Å; Y81-L84 HydrophobicContact CE1-CD1 3.54Å; Y81-L84 HydrophobicContact CG-CD1 4.32Å; Q82-L84 VanDerWaalsContact C-N 3.26Å
85	H	40.2	Very low	44.4	Very low	163 Å²	163	121 Å²	121	76%	0.755	62%	0.615	S	S	*	*			trans	-113.9	73.4	173.1	-79.6	-51.8	0	0	0	112.9
86	R	34.3	Very low	45	Very low	251 Å²	251	119.2 Å²	119.2	95%	0.947	60%	0.601	S	S	*	*	S	Bend	trans	-166.3	96.8	134.6	-119.2	177	-175.5	173.3	1.8	110.2
87	G	35.5	Very low	45.7	Very low	62 Å²	62	121.3 Å²	121.3	64%	0.639	61%	0.614	S	S	*	*	S	Bend	trans	105.1	120.3	171.8	0	0	0	0	0	113.3
88	D	40.7	Very low	46.7	Very low	99 Å²	99	120.1 Å²	120.1	53%	0.529	62%	0.615	S	S	.	*			trans	76.8	50	152.9	-55.5	-15.8	0	0	0	120	R90 I91	D88-R90 PolarHBondContact O-N 2.91Å; D88-I91 HydrophobicContact CB-CD1 3.66Å; D88-I91 HydrophobicContact CB-CG1 4.02Å; D88-I91 PolarHBondContact O-N 3.21Å
89	A	43.6	Very low	48.3	Very low	100 Å²	100	108.9 Å²	108.9	83%	0.826	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	7.2	159.4	0	0	0	0	0	114.7
90	R	44.3	Very low	49.7	Very low	238 Å²	238	106.5 Å²	106.5	90%	0.898	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-12.1	178.3	-67.4	-170.7	-167.1	-178.4	5	114.6	D88	D88-R90 PolarHBondContact O-N 2.91Å
91	I	49.3	Very low	51.2	Low	36 Å²	36	106 Å²	106	19%	0.185	55%	0.546	C	S	.	.	S	Bend	trans	-91.4	-14.7	-171	-60.1	177.9	0	0	0	113.2	D88 I153	D88-I91 HydrophobicContact CB-CD1 3.66Å; D88-I91 HydrophobicContact CB-CG1 4.02Å; D88-I91 PolarHBondContact O-N 3.21Å; I91-I153 HydrophobicContact CG2-CG2 4.29Å; I91-I153 WeakPolarHBondContact O-CG2 3.45Å
92	F	51.2	Low	52.5	Low	48 Å²	48	101.2 Å²	101.2	21%	0.211	53%	0.528	C	S	.	.	S	Bend	trans	-130	44.4	-175.6	-64	-71.8	0	0	0	114.2	L103 K107 D133 I153 L156	F92-L103 HydrophobicContact CD1-CD1 4.26Å; F92-L103 HydrophobicContact CD1-CD2 3.43Å; F92-L103 VanDerWaalsContact CD1-CD2 3.43Å; F92-L103 HydrophobicContact CD1-CG 4.43Å; F92-L103 HydrophobicContact CE1-CD2 3.76Å; F92-K107 PolarHBondContact O-NZ 2.85Å; F92-D133 HydrophobicContact CE2-CB 4.44Å; F92-D133 HydrophobicContact CZ-CB 4.39Å; F92-I153 HydrophobicContact CD1-CD1 4.06Å; F92-I153 HydrophobicContact CE1-CD1 4.48Å; F92-L156 HydrophobicContact CE1-CD2 4.11Å
93	S	51.9	Low	54.1	Low	99 Å²	99	93 Å²	93	69%	0.692	49%	0.49	S	S	*	.			trans	-119.5	105	172.1	169.1	0	0	0	0	108.8
94	T	56.2	Low	55.4	Low	29 Å²	29	89 Å²	89	18%	0.178	47%	0.468	C	S	.	.			trans	-119.1	141.2	179.1	60.5	0	0	0	0	110.2	N96 L103 H152 I153	T94-N96 PolarHBondContact O-N 3.24Å; T94-L103 HydrophobicContact CG2-CD1 4.14Å; T94-H152 HydrophobicContact CG2-CB 3.83Å; T94-I153 HydrophobicContact CG2-CD1 3.99Å; T94-I153 HydrophobicContact CG2-CG1 3.63Å
95	N	57.4	Low	56.8	Low	175 Å²	175	85.5 Å²	85.5	94%	0.936	45%	0.449	S	S	*	.	S	Bend	trans	-79	-3.7	174.9	-80.2	-7.1	0	0	0	112.9
96	N	64.9	Low	58.3	Low	45 Å²	45	78.1 Å²	78.1	24%	0.241	42%	0.415	C	S	.	.			trans	-89	128.5	178.9	-174.2	-15.6	0	0	0	110.5	T94 E98 C99 G100 H152	T94-N96 PolarHBondContact O-N 3.24Å; N96-E98 PolarHBondContact O-N 2.02Å; N96-E98 PolarHBondContact OD1-N 3.42Å; N96-C99 HydrophobicContact CB-CB 4.4Å; N96-G100 PolarHBondContact O-N 2.77Å; N96-H152 PolarHBondContact ND2-NE2 3.42Å
97	T	65.3	Low	60	Low	121 Å²	121	69.8 Å²	69.8	74%	0.742	39%	0.386	S	S	*	.	H	α-helix	trans	-65.4	-34.3	-179	51.1	0	0	0	0	113.5	H101	T97-H101 WeakPolarHBondContact O-CB 3.05Å; T97-H101 PolarHBondContact O-N 3.23Å; T97-H101 VanDerWaalsContact O-N 3.13Å
98	E	68.7	Low	61.6	Low	133 Å²	133	66.9 Å²	66.9	62%	0.621	36%	0.356	S	S	*	.	H	α-helix	trans	-81.5	-48.2	-177	-69	-173.4	165.8	0	0	112.4	N96 G100 H101 L102 T148	N96-E98 PolarHBondContact O-N 2.02Å; N96-E98 PolarHBondContact OD1-N 3.42Å; E98-G100 VanDerWaalsContact C-N 3.3Å; E98-G100 PolarHBondContact O-N 3.41Å; E98-H101 WeakPolarHBondContact O-CB 3.35Å; E98-H101 PolarHBondContact O-N 3.21Å; E98-L102 PolarHBondContact O-N 3.07Å; E98-T148 HydrophobicContact CB-CG2 4.19Å
99	C	72.9	Confident	62.9	Low	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.6	-38.6	173.5	177.6	0	0	0	0	111.2	N96 H101 L102 L103 T148 C149	N96-C99 HydrophobicContact CB-CB 4.4Å; C99-H101 VanDerWaalsContact C-N 3.3Å; C99-H101 PolarHBondContact O-N 3.08Å; C99-L102 PolarHBondContact O-N 3.34Å; C99-L103 WeakPolarHBondContact O-CB 3.12Å; C99-L103 VanDerWaalsContact O-CG 3.26Å; C99-L103 WeakPolarHBondContact O-CG 3.49Å; C99-L103 PolarHBondContact O-N 2.86Å; C99-T148 HydrophobicContact CB-CG2 4.37Å; C99-C149 WeakPolarHBondContact CA-SG 3.29Å; C99-C149 HydrophobicContact CB-CB 4.21Å; C99-C149 WeakPolarHBondContact CB-SG 3.48Å; C99-C149 VanDerWaalsContact SG-CA 3.52Å; C99-C149 WeakPolarHBondContact SG-CB 3.47Å; C99-C149 CovalentContact SG-SG 2.05Å; C99-C149 PolarHBondContact SG-SG 2.8Å
100	G	67.4	Low	64	Low	19 Å²	19	61.3 Å²	61.3	20%	0.196	31%	0.306	C	S	.	.	H	α-helix	trans	-57.6	-42.3	172.7	0	0	0	0	0	112.5	N96 E98 L103 E104	N96-G100 PolarHBondContact O-N 2.77Å; E98-G100 VanDerWaalsContact C-N 3.3Å; E98-G100 PolarHBondContact O-N 3.41Å; G100-L103 PolarHBondContact O-N 3.23Å; G100-E104 WeakPolarHBondContact O-CG 3.1Å; G100-E104 PolarHBondContact O-N 3.12Å
101	H	69.6	Low	65	Low	88 Å²	88	50.6 Å²	50.6	41%	0.407	27%	0.267	S	S	.	.	H	α-helix	trans	-63.6	-49.4	176.5	-172.3	-93.3	0	0	0	112	T97 E98 C99 L103 E104 E105	T97-H101 WeakPolarHBondContact O-CB 3.05Å; T97-H101 PolarHBondContact O-N 3.23Å; T97-H101 VanDerWaalsContact O-N 3.13Å; E98-H101 WeakPolarHBondContact O-CB 3.35Å; E98-H101 PolarHBondContact O-N 3.21Å; C99-H101 VanDerWaalsContact C-N 3.3Å; C99-H101 PolarHBondContact O-N 3.08Å; H101-L103 VanDerWaalsContact C-N 3.3Å; H101-L103 PolarHBondContact O-N 3.22Å; H101-E104 WeakPolarHBondContact O-CB 3.34Å; H101-E104 PolarHBondContact O-N 3.02Å; H101-E104 VanDerWaalsContact O-N 3.11Å; H101-E105 IonicContact CE1-OE1 3.79Å; H101-E105 PolarHBondContact CE1-OE1 2.67Å; H101-E105 IonicContact ND1-OE1 3.73Å; H101-E105 WeakPolarHBondContact O-CG 3.09Å; H101-E105 PolarHBondContact O-N 3.29Å
102	L	71.2	Confident	65.8	Low	14 Å²	14	49 Å²	49	7%	0.073	26%	0.259	C	S	.	.	H	α-helix	trans	-60.1	-38.9	178	-68.3	172.4	0	0	0	112.5	E98 C99 E105 I106 F141 F145 T148	E98-L102 PolarHBondContact O-N 3.07Å; C99-L102 PolarHBondContact O-N 3.34Å; L102-E105 WeakPolarHBondContact O-CB 3.46Å; L102-E105 PolarHBondContact O-N 3.12Å; L102-I106 WeakPolarHBondContact O-CG1 3.11Å; L102-I106 PolarHBondContact O-N 3.37Å; L102-F141 HydrophobicContact CD2-CE2 3.72Å; L102-F141 HydrophobicContact CD2-CZ 4.04Å; L102-F145 HydrophobicContact CB-CD2 4.12Å; L102-T148 HydrophobicContact CD1-CG2 3.93Å
103	L	71.1	Confident	66.3	Low	5 Å²	5	47.6 Å²	47.6	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-41.5	173.9	-73.9	173.5	0	0	0	112.5	F92 T94 C99 G100 H101 E105 I106 K107 F145 I153	F92-L103 HydrophobicContact CD1-CD1 4.26Å; F92-L103 HydrophobicContact CD1-CD2 3.43Å; F92-L103 VanDerWaalsContact CD1-CD2 3.43Å; F92-L103 HydrophobicContact CD1-CG 4.43Å; F92-L103 HydrophobicContact CE1-CD2 3.76Å; T94-L103 HydrophobicContact CG2-CD1 4.14Å; C99-L103 WeakPolarHBondContact O-CB 3.12Å; C99-L103 VanDerWaalsContact O-CG 3.26Å; C99-L103 WeakPolarHBondContact O-CG 3.49Å; C99-L103 PolarHBondContact O-N 2.86Å; G100-L103 PolarHBondContact O-N 3.23Å; H101-L103 VanDerWaalsContact C-N 3.3Å; H101-L103 PolarHBondContact O-N 3.22Å; L103-E105 VanDerWaalsContact C-N 3.31Å; L103-I106 PolarHBondContact O-N 3.28Å; L103-K107 VanDerWaalsContact O-CG 3.25Å; L103-K107 WeakPolarHBondContact O-CG 3.06Å; L103-K107 PolarHBondContact O-N 3.24Å; L103-F145 HydrophobicContact CD2-CE2 3.68Å; L103-F145 HydrophobicContact CD2-CZ 3.75Å; L103-F145 HydrophobicContact CG-CE2 4.24Å; L103-I153 HydrophobicContact CD1-CD1 3.63Å; L103-I153 HydrophobicContact CD2-CD1 3.94Å; L103-I153 HydrophobicContact CG-CD1 4.27Å
104	E	67.9	Low	66.9	Low	59 Å²	59	45.4 Å²	45.4	28%	0.276	24%	0.235	S	C	.	.	H	α-helix	trans	-63.3	-39	174.1	-76.3	-171.9	169.4	0	0	111.4	V63 G100 H101 I106 K107 C108	V63-E104 HydrophobicContact CG1-CB 4.42Å; V63-E104 WeakPolarHBondContact CG2-OE2 3.25Å; G100-E104 WeakPolarHBondContact O-CG 3.1Å; G100-E104 PolarHBondContact O-N 3.12Å; H101-E104 WeakPolarHBondContact O-CB 3.34Å; H101-E104 PolarHBondContact O-N 3.02Å; H101-E104 VanDerWaalsContact O-N 3.11Å; E104-I106 PolarHBondContact O-N 3.31Å; E104-K107 WeakPolarHBondContact O-CB 3.38Å; E104-K107 PolarHBondContact O-N 3.25Å; E104-C108 PolarHBondContact O-N 3.37Å; E104-C108 PolarHBondContact O-SG 2.78Å
105	E	69.9	Low	67.3	Low	12 Å²	12	44 Å²	44	6%	0.056	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-45.6	175.2	-63.5	-163	158.3	0	0	112.2	L67 H101 L102 L103 K107 C108 A109 F177 R182	L67-E105 HydrophobicContact CD1-CB 4.29Å; L67-E105 HydrophobicContact CD1-CG 4.15Å; H101-E105 IonicContact CE1-OE1 3.79Å; H101-E105 PolarHBondContact CE1-OE1 2.67Å; H101-E105 IonicContact ND1-OE1 3.73Å; H101-E105 WeakPolarHBondContact O-CG 3.09Å; H101-E105 PolarHBondContact O-N 3.29Å; L102-E105 WeakPolarHBondContact O-CB 3.46Å; L102-E105 PolarHBondContact O-N 3.12Å; L103-E105 VanDerWaalsContact C-N 3.31Å; E105-K107 VanDerWaalsContact C-N 3.31Å; E105-K107 PolarHBondContact O-N 3.41Å; E105-C108 WeakPolarHBondContact O-CB 3.21Å; E105-C108 PolarHBondContact O-N 3.36Å; E105-C108 VanDerWaalsContact O-N 3.09Å; E105-A109 PolarHBondContact O-N 3.34Å; E105-F177 HydrophobicContact CB-CZ 4.35Å; E105-F177 WeakPolarHBondContact O-CZ 3.41Å; E105-R182 IonicContact OE1-CZ 2.84Å; E105-R182 IonicContact OE1-NH1 3.85Å; E105-R182 PolarHBondContact OE1-NH1 2.99Å; E105-R182 IonicContact OE1-NH2 2.68Å; E105-R182 PolarHBondContact OE1-NH2 2.9Å; E105-R182 IonicContact OE2-CZ 2.76Å; E105-R182 IonicContact OE2-NH1 3.78Å; E105-R182 PolarHBondContact OE2-NH1 2.88Å; E105-R182 IonicContact OE2-NH2 3.14Å
106	I	71.4	Confident	67.7	Low	8 Å²	8	37.1 Å²	37.1	4%	0.041	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-41.8	176.4	-68.4	168.1	0	0	0	110.7	L102 L103 E104 C108 A109 L134 P135 F141 F145 F177	L102-I106 WeakPolarHBondContact O-CG1 3.11Å; L102-I106 PolarHBondContact O-N 3.37Å; L103-I106 PolarHBondContact O-N 3.28Å; E104-I106 PolarHBondContact O-N 3.31Å; I106-C108 PolarHBondContact O-N 3.03Å; I106-A109 WeakPolarHBondContact O-CB 3.43Å; I106-A109 PolarHBondContact O-N 2.04Å; I106-A109 VanDerWaalsContact O-N 3.11Å; I106-L134 HydrophobicContact CD1-CD2 4.2Å; I106-L134 HydrophobicContact CG2-CD2 3.84Å; I106-P135 HydrophobicContact CG2-CG 4.15Å; I106-F141 HydrophobicContact CD1-CE1 4.04Å; I106-F141 HydrophobicContact CD1-CZ 4.48Å; I106-F141 HydrophobicContact CG1-CE1 3.86Å; I106-F141 HydrophobicContact CG1-CZ 4.14Å; I106-F145 HydrophobicContact CD1-CD1 4.31Å; I106-F145 HydrophobicContact CD1-CD2 3.63Å; I106-F145 HydrophobicContact CD1-CE1 4.15Å; I106-F145 HydrophobicContact CD1-CE2 3.46Å; I106-F145 VanDerWaalsContact CD1-CE2 3.46Å; I106-F145 HydrophobicContact CD1-CG 4.06Å; I106-F145 HydrophobicContact CD1-CZ 3.74Å; I106-F177 HydrophobicContact CG1-CD1 4.49Å; I106-F177 HydrophobicContact CG1-CE1 3.95Å
107	K	70	Confident	67.6	Low	75 Å²	75	39.5 Å²	39.5	33%	0.326	21%	0.205	S	C	.	.	H	α-helix	trans	-60.8	-35.9	174.6	-72.3	169.2	-174.5	173.2	0	111.7	F92 L103 E104 E105 A109	F92-K107 PolarHBondContact O-NZ 2.85Å; L103-K107 VanDerWaalsContact O-CG 3.25Å; L103-K107 WeakPolarHBondContact O-CG 3.06Å; L103-K107 PolarHBondContact O-N 3.24Å; E104-K107 WeakPolarHBondContact O-CB 3.38Å; E104-K107 PolarHBondContact O-N 3.25Å; E105-K107 VanDerWaalsContact C-N 3.31Å; E105-K107 PolarHBondContact O-N 3.41Å; K107-A109 VanDerWaalsContact C-N 3.26Å; K107-A109 PolarHBondContact O-N 3.34Å
108	C	68.9	Low	67.7	Low	1 Å²	1	34.7 Å²	34.7	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-68.6	-20.9	177.2	-64.1	0	0	0	0	113.9	C64 L67 Y68 E104 E105 I106 R110 C111	C64-C108 WeakPolarHBondContact CA-SG 3.07Å; C64-C108 HydrophobicContact CB-CB 3.66Å; C64-C108 WeakPolarHBondContact CB-SG 3.35Å; C64-C108 PolarHBondContact N-SG 2.9Å; C64-C108 WeakPolarHBondContact SG-CA 3.29Å; C64-C108 WeakPolarHBondContact SG-CB 3.29Å; C64-C108 CovalentContact SG-SG 2.03Å; C64-C108 PolarHBondContact SG-SG 2.76Å; L67-C108 HydrophobicContact CD1-CB 3.71Å; Y68-C108 HydrophobicContact CE2-CB 4.02Å; Y68-C108 WeakPolarHBondContact CE2-O 3.44Å; E104-C108 PolarHBondContact O-N 3.37Å; E104-C108 PolarHBondContact O-SG 2.78Å; E105-C108 WeakPolarHBondContact O-CB 3.21Å; E105-C108 PolarHBondContact O-N 3.36Å; E105-C108 VanDerWaalsContact O-N 3.09Å; I106-C108 PolarHBondContact O-N 3.03Å; C108-R110 PolarHBondContact O-N 3.38Å; C108-R110 VanDerWaalsContact O-N 3.12Å; C108-C111 WeakPolarHBondContact O-CB 3.07Å; C108-C111 PolarHBondContact O-N 3.43Å
109	A	68.2	Low	67.6	Low	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-55.2	-32	177.9	0	0	0	0	0	112.6	E105 I106 K107 C111 S112 A115 F119 P135 F177	E105-A109 PolarHBondContact O-N 3.34Å; I106-A109 WeakPolarHBondContact O-CB 3.43Å; I106-A109 PolarHBondContact O-N 2.04Å; I106-A109 VanDerWaalsContact O-N 3.11Å; K107-A109 VanDerWaalsContact C-N 3.26Å; K107-A109 PolarHBondContact O-N 3.34Å; A109-C111 PolarHBondContact O-N 3.11Å; A109-S112 WeakPolarHBondContact O-CB 2.99Å; A109-S112 PolarHBondContact O-N 3Å; A109-S112 VanDerWaalsContact O-N 3.15Å; A109-A115 HydrophobicContact CB-CB 4.1Å; A109-F119 HydrophobicContact CB-CE2 3.69Å; A109-F119 HydrophobicContact CB-CZ 3.84Å; A109-P135 HydrophobicContact CB-CG 4.19Å; A109-F177 HydrophobicContact CB-CD2 3.49Å; A109-F177 VanDerWaalsContact CB-CD2 3.49Å; A109-F177 HydrophobicContact CB-CE2 3.41Å; A109-F177 VanDerWaalsContact CB-CE2 3.41Å; A109-F177 HydrophobicContact CB-CG 4.23Å; A109-F177 HydrophobicContact CB-CZ 4.1Å
110	R	66	Low	66.9	Low	83 Å²	83	34.9 Å²	34.9	31%	0.313	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-66.2	-20.8	175.9	-64.2	-174.5	179.1	179.1	1.7	113.4	C108 F119	C108-R110 PolarHBondContact O-N 3.38Å; C108-R110 VanDerWaalsContact O-N 3.12Å; R110-F119 HydrophobicContact CG-CD2 4.29Å; R110-F119 HydrophobicContact CG-CE1 4.29Å; R110-F119 HydrophobicContact CG-CE2 3.63Å; R110-F119 HydrophobicContact CG-CZ 3.63Å
111	C	65.4	Low	66.2	Low	12 Å²	12	36.8 Å²	36.8	8%	0.081	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-85.6	-12.1	176.1	-63	0	0	0	0	113.3	Y68 C73 C74 C108 A109	Y68-C111 HydrophobicContact CD2-CB 4.47Å; C73-C111 PolarHBondContact N-O 2.74Å; C74-C111 HydrophobicContact CB-CB 3.87Å; C74-C111 WeakPolarHBondContact CB-SG 2.98Å; C74-C111 WeakPolarHBondContact SG-CA 3.44Å; C74-C111 WeakPolarHBondContact SG-CB 3.45Å; C74-C111 CovalentContact SG-SG 2.05Å; C74-C111 PolarHBondContact SG-SG 2.92Å; C108-C111 WeakPolarHBondContact O-CB 3.07Å; C108-C111 PolarHBondContact O-N 3.43Å; A109-C111 PolarHBondContact O-N 3.11Å
112	S	65.9	Low	65.1	Low	2 Å²	2	40.1 Å²	40.1	1%	0.014	21%	0.206	C	C	.	.			trans	-84	128.3	175.4	179.9	0	0	0	0	111	Y68 A109 N114 A115 Q116 D179	Y68-S112 VanDerWaalsContact CE1-CB 3.47Å; A109-S112 WeakPolarHBondContact O-CB 2.99Å; A109-S112 PolarHBondContact O-N 3Å; A109-S112 VanDerWaalsContact O-N 3.15Å; S112-N114 PolarHBondContact O-N 3.32Å; S112-N114 VanDerWaalsContact O-N 3.13Å; S112-N114 PolarHBondContact OG-N 2.94Å; S112-A115 PolarHBondContact O-N 3.26Å; S112-A115 PolarHBondContact OG-N 3.47Å; S112-A115 VanDerWaalsContact OG-N 3.17Å; S112-Q116 WeakPolarHBondContact O-CB 3.03Å; S112-Q116 PolarHBondContact O-N 3Å; S112-Q116 VanDerWaalsContact O-N 3.14Å; S112-D179 PolarHBondContact OG-OD2 3.29Å
113	P	62.3	Low	64	Low	20 Å²	20	46.6 Å²	46.6	13%	0.13	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.7	172.4	26.9	-33.3	0	0	0	113.2	P43 V71	P43-P113 HydrophobicContact CG-CB 4.27Å; V71-P113 HydrophobicContact CG1-CG 4.28Å
114	N	63.5	Low	62.8	Low	52 Å²	52	52 Å²	52	28%	0.278	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-44.7	177.7	-61.2	-23.7	0	0	0	111.9	S112 Q116	S112-N114 PolarHBondContact O-N 3.32Å; S112-N114 VanDerWaalsContact O-N 3.13Å; S112-N114 PolarHBondContact OG-N 2.94Å; N114-Q116 VanDerWaalsContact C-N 3.33Å; N114-Q116 PolarHBondContact O-N 3.14Å
115	A	65.9	Low	61.4	Low	0 Å²	0	57 Å²	57	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-78.8	-17.7	-174.6	0	0	0	0	0	113.1	A109 S112 V117 L118 F177	A109-A115 HydrophobicContact CB-CB 4.1Å; S112-A115 PolarHBondContact O-N 3.26Å; S112-A115 PolarHBondContact OG-N 3.47Å; S112-A115 VanDerWaalsContact OG-N 3.17Å; A115-V117 PolarHBondContact O-N 3Å; A115-L118 HydrophobicContact CB-CD1 4.1Å; A115-L118 WeakPolarHBondContact O-CB 3.1Å; A115-L118 WeakPolarHBondContact O-CG 2.97Å; A115-L118 PolarHBondContact O-N 3.36Å; A115-F177 HydrophobicContact CB-CD2 4.04Å
116	Q	65.1	Low	59.9	Low	30 Å²	30	67.2 Å²	67.2	14%	0.14	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-61.3	-32.7	174.9	179.6	153.8	43.6	0	0	113.5	Y38 S112 N114 L118 F119	Y38-Q116 HydrophobicContact CD2-CG 4.28Å; Y38-Q116 VanDerWaalsContact CG-NE2 3.27Å; Y38-Q116 VanDerWaalsContact N-OE1 3.13Å; S112-Q116 WeakPolarHBondContact O-CB 3.03Å; S112-Q116 PolarHBondContact O-N 3Å; S112-Q116 VanDerWaalsContact O-N 3.14Å; N114-Q116 VanDerWaalsContact C-N 3.33Å; N114-Q116 PolarHBondContact O-N 3.14Å; Q116-L118 PolarHBondContact O-N 3.11Å; Q116-F119 PolarHBondContact O-N 2.92Å
117	V	63.4	Low	58.2	Low	95 Å²	95	74.9 Å²	74.9	58%	0.576	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-63.6	-23.6	176.1	-179	0	0	0	0	111.3	A115 F119 H120	A115-V117 PolarHBondContact O-N 3Å; V117-F119 PolarHBondContact O-N 2.79Å; V117-H120 PolarHBondContact O-N 2.03Å; V117-H120 VanDerWaalsContact O-O 3.14Å
118	L	67.2	Low	56.8	Low	21 Å²	21	76.3 Å²	76.3	11%	0.11	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-74.7	-10.6	-177.1	-54.8	175.9	0	0	0	114	A115 Q116 P135 R136 L175 F177	A115-L118 HydrophobicContact CB-CD1 4.1Å; A115-L118 WeakPolarHBondContact O-CB 3.1Å; A115-L118 WeakPolarHBondContact O-CG 2.97Å; A115-L118 PolarHBondContact O-N 3.36Å; Q116-L118 PolarHBondContact O-N 3.11Å; L118-P135 HydrophobicContact CB-CB 3.98Å; L118-R136 HydrophobicContact CB-CB 4.41Å; L118-R136 PolarHBondContact O-N 2.92Å; L118-L175 HydrophobicContact CD2-CB 3.94Å; L118-L175 WeakPolarHBondContact CD2-O 3.36Å; L118-F177 HydrophobicContact CD1-CB 3.88Å
119	F	66.6	Low	55.4	Low	19 Å²	19	85 Å²	85	8%	0.083	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-84.4	-14.6	172.4	-68.3	-88.4	0	0	0	112.7	A109 R110 Q116 V117 P135	A109-F119 HydrophobicContact CB-CE2 3.69Å; A109-F119 HydrophobicContact CB-CZ 3.84Å; R110-F119 HydrophobicContact CG-CD2 4.29Å; R110-F119 HydrophobicContact CG-CE1 4.29Å; R110-F119 HydrophobicContact CG-CE2 3.63Å; R110-F119 HydrophobicContact CG-CZ 3.63Å; Q116-F119 PolarHBondContact O-N 2.92Å; V117-F119 PolarHBondContact O-N 2.79Å; F119-P135 HydrophobicContact CD1-CB 4.1Å; F119-P135 HydrophobicContact CD2-CB 4.02Å; F119-P135 HydrophobicContact CE1-CB 3.85Å; F119-P135 HydrophobicContact CE1-CG 3.95Å; F119-P135 HydrophobicContact CE2-CB 3.75Å; F119-P135 HydrophobicContact CE2-CG 4.19Å; F119-P135 HydrophobicContact CG-CB 4.2Å; F119-P135 HydrophobicContact CZ-CB 3.66Å; F119-P135 HydrophobicContact CZ-CG 3.68Å
120	H	58.2	Low	54.1	Low	117 Å²	117	95.7 Å²	95.7	54%	0.542	47%	0.468	S	S	.	.			trans	-121.5	104.7	-177.8	-66.8	-65.5	0	0	0	110.6	Y38 V117	Y38-H120 AromaticContact CE2-NE2 3.55Å; V117-H120 PolarHBondContact O-N 2.03Å; V117-H120 VanDerWaalsContact O-O 3.14Å
121	S	52.2	Low	53	Low	60 Å²	60	99.9 Å²	99.9	42%	0.42	49%	0.492	S	S	.	.			trans	-93	133.4	162.3	61.1	0	0	0	0	110	D123	S121-D123 PolarHBondContact O-N 3.49Å; S121-D123 VanDerWaalsContact O-N 3.11Å
122	L	47.8	Very low	52.3	Low	158 Å²	158	102.8 Å²	102.8	83%	0.827	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	0.3	175.8	-75.8	160.9	0	0	0	114.3	F24	F24-L122 HydrophobicContact CE1-CD2 4.32Å
123	D	47.2	Very low	51.9	Low	149 Å²	149	106.7 Å²	106.7	80%	0.797	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	14.7	-169.6	-75.8	-37.8	0	0	0	115.4	S121	S121-D123 PolarHBondContact O-N 3.49Å; S121-D123 VanDerWaalsContact O-N 3.11Å
124	M	45.8	Very low	52.1	Low	118 Å²	118	106 Å²	106	58%	0.581	53%	0.527	S	S	*	.			trans	-109.8	59.6	179.9	-66.3	-59.5	-67.4	0	0	112.7	R126	M124-R126 VanDerWaalsContact C-N 3.29Å; M124-R126 PolarHBondContact O-N 2.02Å
125	D	37.6	Very low	52.4	Low	166 Å²	166	103.6 Å²	103.6	89%	0.888	51%	0.514	S	S	*	.			trans	-90.3	20.8	177.1	-118.4	3	0	0	0	113.8
126	R	40	Very low	52.8	Low	225 Å²	225	108.4 Å²	108.4	85%	0.849	53%	0.532	S	S	*	.	S	Bend	trans	-141.1	86	175.2	-67.8	-173.9	-178.3	-179	0.5	110.5	M124	M124-R126 VanDerWaalsContact C-N 3.29Å; M124-R126 PolarHBondContact O-N 2.02Å
127	M	34.8	Very low	53.3	Low	170 Å²	170	107 Å²	107	84%	0.837	53%	0.525	S	S	*	.			trans	160.8	116.4	139.1	-83.3	-62.3	-89.9	0	0	108.3	H129	M127-H129 PolarHBondContact O-N 3.2Å
128	P	41.8	Very low	53.9	Low	104 Å²	104	103.2 Å²	103.2	68%	0.675	50%	0.503	S	S	*	.			trans	-79.5	108.7	171.8	31.3	-25.6	0	0	0	106.9
129	H	39.5	Very low	54.3	Low	183 Å²	183	106.6 Å²	106.6	85%	0.847	52%	0.518	S	S	*	.	S	Bend	trans	154	120.4	151.1	-72.7	-41.3	0	0	0	109.2	M127	M127-H129 PolarHBondContact O-N 3.2Å
130	R	40.3	Very low	54.6	Low	225 Å²	225	110.6 Å²	110.6	85%	0.849	54%	0.54	S	S	*	.			trans	84.2	102.5	-178.4	-65.7	-177.9	168.8	172.4	-5.7	115.6
131	E	41.7	Very low	55.5	Low	171 Å²	171	105.6 Å²	105.6	80%	0.799	52%	0.517	S	S	*	.			trans	-52.7	142.6	162.1	-67.2	175.7	154.6	0	0	109.9	D133	E131-D133 PolarHBondContact O-N 3.24Å
132	P	51	Low	56.8	Low	74 Å²	74	102.7 Å²	102.7	48%	0.481	50%	0.497	S	S	.	.			trans	-72.9	111.7	178.2	27.7	-31.4	0	0	0	110.3	L134	P132-L134 PolarHBondContact O-N 3.09Å
133	D	58.4	Low	58.3	Low	83 Å²	83	100.5 Å²	100.5	44%	0.444	48%	0.478	S	S	.	.			trans	-71	-8.3	179.3	-81	-38.4	0	0	0	114.2	F92 E131	F92-D133 HydrophobicContact CE2-CB 4.44Å; F92-D133 HydrophobicContact CZ-CB 4.39Å; E131-D133 PolarHBondContact O-N 3.24Å
134	L	66.1	Low	59.8	Low	7 Å²	7	98.5 Å²	98.5	4%	0.037	46%	0.463	C	S	.	.	S	Bend	trans	-120.5	139.7	-177	-63.9	174.1	0	0	0	112.3	I106 P132 F145 L156 F164 Y168	I106-L134 HydrophobicContact CD1-CD2 4.2Å; I106-L134 HydrophobicContact CG2-CD2 3.84Å; P132-L134 PolarHBondContact O-N 3.09Å; L134-F145 HydrophobicContact CD1-CE1 4.36Å; L134-F145 HydrophobicContact CD2-CE1 4.4Å; L134-L156 HydrophobicContact CD1-CD1 4.21Å; L134-L156 HydrophobicContact CD1-CD2 4.26Å; L134-F164 HydrophobicContact CD1-CZ 4.03Å; L134-Y168 HydrophobicContact CB-CD1 3.95Å; L134-Y168 HydrophobicContact CB-CE1 4.22Å; L134-Y168 HydrophobicContact CD1-CD1 4.02Å; L134-Y168 HydrophobicContact CD1-CE1 4.15Å; L134-Y168 HydrophobicContact CD1-CG 4.26Å
135	P	70.7	Confident	61.4	Low	1 Å²	1	92.9 Å²	92.9	1%	0.006	44%	0.436	C	S	.	.			trans	-72.9	162	170.5	30.3	-29	0	0	0	110.5	I106 A109 L118 F119 L137 F177	I106-P135 HydrophobicContact CG2-CG 4.15Å; A109-P135 HydrophobicContact CB-CG 4.19Å; L118-P135 HydrophobicContact CB-CB 3.98Å; F119-P135 HydrophobicContact CD1-CB 4.1Å; F119-P135 HydrophobicContact CD2-CB 4.02Å; F119-P135 HydrophobicContact CE1-CB 3.85Å; F119-P135 HydrophobicContact CE1-CG 3.95Å; F119-P135 HydrophobicContact CE2-CB 3.75Å; F119-P135 HydrophobicContact CE2-CG 4.19Å; F119-P135 HydrophobicContact CG-CB 4.2Å; F119-P135 HydrophobicContact CZ-CB 3.66Å; F119-P135 HydrophobicContact CZ-CG 3.68Å; P135-L137 HydrophobicContact CG-CD2 3.99Å; P135-L137 WeakPolarHBondContact O-CD2 3.49Å; P135-L137 WeakPolarHBondContact O-CG 3.46Å; P135-L137 PolarHBondContact O-N 3.4Å; P135-F177 HydrophobicContact CB-CB 4.3Å; P135-F177 HydrophobicContact CG-CB 4.11Å; P135-F177 HydrophobicContact CG-CD1 4.24Å; P135-F177 HydrophobicContact CG-CG 4.11Å
136	R	73.9	Confident	63.4	Low	101 Å²	101	85 Å²	85	38%	0.381	39%	0.393	S	S	.	.			trans	-58	113.2	168.1	-82.3	-149.9	-177.6	-110.6	4.9	111.3	L118 G169 F177	L118-R136 HydrophobicContact CB-CB 4.41Å; L118-R136 PolarHBondContact O-N 2.92Å; R136-G169 PolarHBondContact NH1-O 3.29Å; R136-F177 PolarHBondContact O-N 2.76Å
137	L	75.3	Confident	65.4	Low	0 Å²	0	81.6 Å²	81.6	0%	0	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-86.7	146.4	-178.1	-56.2	-178.7	0	0	0	110.7	P135 F141 C142 F145 Y168 G169 R170 F177	P135-L137 HydrophobicContact CG-CD2 3.99Å; P135-L137 WeakPolarHBondContact O-CD2 3.49Å; P135-L137 WeakPolarHBondContact O-CG 3.46Å; P135-L137 PolarHBondContact O-N 3.4Å; L137-F141 HydrophobicContact CB-CD1 4.44Å; L137-F141 HydrophobicContact CD1-CD1 4.36Å; L137-F141 HydrophobicContact CD2-CD1 3.89Å; L137-F141 HydrophobicContact CD2-CE1 3.97Å; L137-F141 HydrophobicContact CG-CD1 4.45Å; L137-C142 HydrophobicContact CB-CB 3.95Å; L137-C142 HydrophobicContact CD1-CB 4.32Å; L137-F145 HydrophobicContact CD1-CD1 4.29Å; L137-Y168 PolarHBondContact N-O 2.92Å; L137-G169 WeakPolarHBondContact O-CA 3.49Å; L137-R170 PolarHBondContact O-N 2.79Å; L137-F177 CarbonylContact C-O 3.59Å; L137-F177 WeakPolarHBondContact CA-O 3.24Å; L137-F177 HydrophobicContact CD2-CB 4.37Å; L137-F177 HydrophobicContact CD2-CD1 3.82Å
138	C	75.9	Confident	67.5	Low	15 Å²	15	75.3 Å²	75.3	10%	0.101	35%	0.353	C	S	.	.			trans	-68.1	148.8	166.1	-58.3	0	0	0	0	109.2	D140 F141 C142 C176 F177	C138-D140 VanDerWaalsContact C-N 3.29Å; C138-D140 PolarHBondContact O-N 3.09Å; C138-F141 PolarHBondContact O-N 2.83Å; C138-C142 WeakPolarHBondContact O-CB 3.39Å; C138-C142 PolarHBondContact O-N 2.02Å; C138-C176 WeakPolarHBondContact CA-SG 3.34Å; C138-C176 HydrophobicContact CB-CB 3.99Å; C138-C176 WeakPolarHBondContact CB-SG 3.15Å; C138-C176 WeakPolarHBondContact SG-CB 2.84Å; C138-C176 CovalentContact SG-SG 2.04Å; C138-C176 PolarHBondContact SG-SG 3.39Å; C138-F177 PolarHBondContact N-O 2.84Å; C138-F177 PolarHBondContact SG-O 2.8Å; C138-F177 VanDerWaalsContact SG-O 3.42Å
139	Q	76.3	Confident	69	Low	92 Å²	92	70.4 Å²	70.4	43%	0.43	32%	0.321	S	S	.	.	H	α-helix	trans	-56.1	-42.6	-172.5	-158.8	114.4	7.4	0	0	112.8	C142 R143	Q139-C142 PolarHBondContact O-N 3.33Å; Q139-R143 PolarHBondContact O-N 3.12Å; Q139-R143 VanDerWaalsContact O-N 3.15Å
140	D	71.9	Confident	70.7	Confident	103 Å²	103	67.5 Å²	67.5	55%	0.551	30%	0.303	S	S	*	.	H	α-helix	trans	-64.6	-49.5	-179.8	-49.4	-39.5	0	0	0	111.2	C138 C142 R143 E144 R183	C138-D140 VanDerWaalsContact C-N 3.29Å; C138-D140 PolarHBondContact O-N 3.09Å; D140-C142 VanDerWaalsContact C-N 3.31Å; D140-C142 PolarHBondContact O-N 3.04Å; D140-R143 PolarHBondContact O-N 2.93Å; D140-E144 PolarHBondContact O-N 2.79Å; D140-R183 IonicContact OD2-NH2 3.94Å; D140-R183 PolarHBondContact OD2-NH2 2.68Å
141	F	77.8	Confident	72	Confident	12 Å²	12	60 Å²	60	5%	0.053	30%	0.295	C	S	.	.	H	α-helix	trans	-67.2	-32.2	178.6	-173.7	-94.2	0	0	0	112.2	L102 I106 L137 C138 E144 F145 F177 P178	L102-F141 HydrophobicContact CD2-CE2 3.72Å; L102-F141 HydrophobicContact CD2-CZ 4.04Å; I106-F141 HydrophobicContact CD1-CE1 4.04Å; I106-F141 HydrophobicContact CD1-CZ 4.48Å; I106-F141 HydrophobicContact CG1-CE1 3.86Å; I106-F141 HydrophobicContact CG1-CZ 4.14Å; L137-F141 HydrophobicContact CB-CD1 4.44Å; L137-F141 HydrophobicContact CD1-CD1 4.36Å; L137-F141 HydrophobicContact CD2-CD1 3.89Å; L137-F141 HydrophobicContact CD2-CE1 3.97Å; L137-F141 HydrophobicContact CG-CD1 4.45Å; C138-F141 PolarHBondContact O-N 2.83Å; F141-E144 PolarHBondContact O-N 2.81Å; F141-F145 WeakPolarHBondContact O-CB 3.33Å; F141-F145 PolarHBondContact O-N 3.05Å; F141-F177 HydrophobicContact CD1-CD1 4.34Å; F141-F177 AromaticContact CE1-CD1 3.97Å; F141-F177 HydrophobicContact CE1-CD1 3.97Å; F141-F177 AromaticContact CE1-CE1 3.83Å; F141-F177 HydrophobicContact CE1-CE1 3.83Å; F141-F177 HydrophobicContact CZ-CD1 4.46Å; F141-F177 AromaticContact CZ-CE1 3.89Å; F141-F177 HydrophobicContact CZ-CE1 3.89Å; F141-P178 HydrophobicContact CD2-CG 4.03Å; F141-P178 HydrophobicContact CE2-CG 4.46Å; F141-P178 HydrophobicContact CG-CG 4.32Å
142	C	78.1	Confident	73.3	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-44.1	175.2	-178.5	0	0	0	0	111.7	L137 C138 Q139 D140 F145 Y146 C165	L137-C142 HydrophobicContact CB-CB 3.95Å; L137-C142 HydrophobicContact CD1-CB 4.32Å; C138-C142 WeakPolarHBondContact O-CB 3.39Å; C138-C142 PolarHBondContact O-N 2.02Å; Q139-C142 PolarHBondContact O-N 3.33Å; D140-C142 VanDerWaalsContact C-N 3.31Å; D140-C142 PolarHBondContact O-N 3.04Å; C142-F145 PolarHBondContact O-N 3.32Å; C142-Y146 WeakPolarHBondContact O-CB 3.02Å; C142-Y146 PolarHBondContact O-N 3.05Å; C142-C165 HydrophobicContact CB-CB 4.05Å; C142-C165 WeakPolarHBondContact CB-SG 3.43Å; C142-C165 WeakPolarHBondContact SG-CA 3.06Å; C142-C165 WeakPolarHBondContact SG-CB 3.36Å; C142-C165 CovalentContact SG-SG 2.05Å; C142-C165 PolarHBondContact SG-SG 2.54Å
143	R	80.2	Confident	74.1	Confident	112 Å²	112	52.9 Å²	52.9	42%	0.423	26%	0.256	S	S	.	.	H	α-helix	trans	-66	-44.5	176.9	-74.1	179.5	168.1	-173.5	-5.6	111.4	Q139 D140 Y146 Y147 V161 D162	Q139-R143 PolarHBondContact O-N 3.12Å; Q139-R143 VanDerWaalsContact O-N 3.15Å; D140-R143 PolarHBondContact O-N 2.93Å; R143-Y146 PolarHBondContact O-N 2.63Å; R143-Y147 HydrophobicContact CB-CE2 4.46Å; R143-Y147 WeakPolarHBondContact O-CD2 2.97Å; R143-Y147 PolarHBondContact O-N 3.29Å; R143-V161 HydrophobicContact CG-CG1 4.16Å; R143-D162 IonicContact NH2-OD1 3.14Å; R143-D162 PolarHBondContact NH2-OD1 3.07Å; R143-D162 VanDerWaalsContact NH2-OD1 3.14Å
144	E	79.4	Confident	74.4	Confident	106 Å²	106	53.3 Å²	53.3	50%	0.495	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-47	175.6	-173.2	179.6	-176.3	0	0	111.7	D140 F141 Y146 T148	D140-E144 PolarHBondContact O-N 2.79Å; F141-E144 PolarHBondContact O-N 2.81Å; E144-Y146 PolarHBondContact O-N 3.15Å; E144-T148 VanDerWaalsContact O-CB 3.29Å; E144-T148 WeakPolarHBondContact O-CB 3.08Å; E144-T148 PolarHBondContact O-N 3.44Å; E144-T148 VanDerWaalsContact O-N 3.09Å; E144-T148 PolarHBondContact O-OG1 3.13Å
145	F	78.8	Confident	74.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.2	-43.4	176.7	-178.3	-112.3	0	0	0	112.2	L102 L103 I106 L134 L137 F141 C142 C149 L156 F157 F164	L102-F145 HydrophobicContact CB-CD2 4.12Å; L103-F145 HydrophobicContact CD2-CE2 3.68Å; L103-F145 HydrophobicContact CD2-CZ 3.75Å; L103-F145 HydrophobicContact CG-CE2 4.24Å; I106-F145 HydrophobicContact CD1-CD1 4.31Å; I106-F145 HydrophobicContact CD1-CD2 3.63Å; I106-F145 HydrophobicContact CD1-CE1 4.15Å; I106-F145 HydrophobicContact CD1-CE2 3.46Å; I106-F145 VanDerWaalsContact CD1-CE2 3.46Å; I106-F145 HydrophobicContact CD1-CG 4.06Å; I106-F145 HydrophobicContact CD1-CZ 3.74Å; L134-F145 HydrophobicContact CD1-CE1 4.36Å; L134-F145 HydrophobicContact CD2-CE1 4.4Å; L137-F145 HydrophobicContact CD1-CD1 4.29Å; F141-F145 WeakPolarHBondContact O-CB 3.33Å; F141-F145 PolarHBondContact O-N 3.05Å; C142-F145 PolarHBondContact O-N 3.32Å; F145-C149 HydrophobicContact CD2-CB 4.44Å; F145-C149 HydrophobicContact CE2-CB 4.16Å; F145-C149 HydrophobicContact CZ-CB 4.47Å; F145-C149 VanDerWaalsContact O-CB 3.28Å; F145-C149 WeakPolarHBondContact O-CB 3.04Å; F145-C149 PolarHBondContact O-N 2.69Å; F145-L156 HydrophobicContact CE1-CD2 3.92Å; F145-L156 HydrophobicContact CZ-CD2 4.03Å; F145-F157 HydrophobicContact CD1-CE1 4.04Å; F145-F157 AromaticContact CD1-CZ 3.8Å; F145-F157 HydrophobicContact CD1-CZ 3.8Å; F145-F157 AromaticContact CE1-CE1 3.95Å; F145-F157 HydrophobicContact CE1-CE1 3.95Å; F145-F157 AromaticContact CE1-CZ 3.48Å; F145-F157 HydrophobicContact CE1-CZ 3.48Å; F145-F157 VanDerWaalsContact CE1-CZ 3.48Å; F145-F157 HydrophobicContact CZ-CZ 4.04Å; F145-F164 HydrophobicContact CD1-CE1 4.37Å; F145-F164 HydrophobicContact CD1-CZ 4.32Å; F145-F164 HydrophobicContact CE1-CZ 4.36Å
146	Y	80.1	Confident	74	Confident	1 Å²	1	60.7 Å²	60.7	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-54.2	178.7	-175.6	-82.7	0	0	0	111.7	C142 R143 E144 T148 C149 R150 F157 A159 V161 F164	C142-Y146 WeakPolarHBondContact O-CB 3.02Å; C142-Y146 PolarHBondContact O-N 3.05Å; R143-Y146 PolarHBondContact O-N 2.63Å; E144-Y146 PolarHBondContact O-N 3.15Å; Y146-T148 VanDerWaalsContact C-N 3.35Å; Y146-T148 PolarHBondContact O-N 3.46Å; Y146-C149 PolarHBondContact O-N 3.19Å; Y146-R150 HydrophobicContact CE1-CB 4.48Å; Y146-R150 HydrophobicContact CE1-CG 4.42Å; Y146-R150 WeakPolarHBondContact O-CB 3.2Å; Y146-R150 PolarHBondContact O-N 3.27Å; Y146-F157 HydrophobicContact CD2-CB 4.48Å; Y146-F157 AromaticContact CD2-CD1 3.32Å; Y146-F157 HydrophobicContact CD2-CD1 3.32Å; Y146-F157 AromaticContact CD2-CE1 3.78Å; Y146-F157 HydrophobicContact CD2-CE1 3.78Å; Y146-F157 HydrophobicContact CD2-CG 4.17Å; Y146-F157 HydrophobicContact CE2-CB 3.99Å; Y146-F157 AromaticContact CE2-CD1 3.68Å; Y146-F157 HydrophobicContact CE2-CD1 3.68Å; Y146-F157 HydrophobicContact CE2-CG 4.18Å; Y146-F157 HydrophobicContact CG-CD1 4.18Å; Y146-F157 HydrophobicContact CG-CE1 4.31Å; Y146-A159 WeakPolarHBondContact CE2-O 3.32Å; Y146-A159 PolarHBondContact OH-O 3.35Å; Y146-V161 HydrophobicContact CD1-CB 4.09Å; Y146-V161 HydrophobicContact CD1-CG1 4.12Å; Y146-V161 HydrophobicContact CD1-CG2 3.43Å; Y146-V161 VanDerWaalsContact CD1-CG2 3.43Å; Y146-V161 HydrophobicContact CE1-CB 4Å; Y146-V161 HydrophobicContact CE1-CG2 3.13Å; Y146-V161 HydrophobicContact CG-CG1 4.32Å; Y146-V161 HydrophobicContact CG-CG2 4.3Å; Y146-F164 HydrophobicContact CD2-CB 3.91Å; Y146-F164 AromaticContact CD2-CD1 3.71Å; Y146-F164 HydrophobicContact CD2-CD1 3.71Å; Y146-F164 HydrophobicContact CD2-CD2 4.45Å; Y146-F164 HydrophobicContact CD2-CE1 4.38Å; Y146-F164 AromaticContact CD2-CG 3.76Å; Y146-F164 HydrophobicContact CD2-CG 3.76Å; Y146-F164 HydrophobicContact CE2-CB 3.98Å; Y146-F164 HydrophobicContact CE2-CG 4.2Å
147	Y	80.7	Confident	73.7	Confident	153 Å²	153	56.5 Å²	56.5	60%	0.6	28%	0.283	S	S	*	.	H	α-helix	trans	-64.8	-38.4	-176.7	-72.6	-62.8	0	0	0	112.9	R143 V161	R143-Y147 HydrophobicContact CB-CE2 4.46Å; R143-Y147 WeakPolarHBondContact O-CD2 2.97Å; R143-Y147 PolarHBondContact O-N 3.29Å; Y147-V161 HydrophobicContact CE1-CG2 3.9Å; Y147-V161 HydrophobicContact CE2-CG1 4.29Å
148	T	79.1	Confident	73	Confident	39 Å²	39	64.7 Å²	64.7	24%	0.239	32%	0.321	C	S	.	.	H	α-helix	trans	-76.9	-32.7	-176.9	-53.8	0	0	0	0	112.7	E98 C99 L102 E144 Y146	E98-T148 HydrophobicContact CB-CG2 4.19Å; C99-T148 HydrophobicContact CB-CG2 4.37Å; L102-T148 HydrophobicContact CD1-CG2 3.93Å; E144-T148 VanDerWaalsContact O-CB 3.29Å; E144-T148 WeakPolarHBondContact O-CB 3.08Å; E144-T148 PolarHBondContact O-N 3.44Å; E144-T148 VanDerWaalsContact O-N 3.09Å; E144-T148 PolarHBondContact O-OG1 3.13Å; Y146-T148 VanDerWaalsContact C-N 3.35Å; Y146-T148 PolarHBondContact O-N 3.46Å
149	C	73.2	Confident	72.5	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-105	-11.7	-175.7	-71	0	0	0	0	115.3	C99 F145 Y146 G151 H152 I153 F157	C99-C149 WeakPolarHBondContact CA-SG 3.29Å; C99-C149 HydrophobicContact CB-CB 4.21Å; C99-C149 WeakPolarHBondContact CB-SG 3.48Å; C99-C149 VanDerWaalsContact SG-CA 3.52Å; C99-C149 WeakPolarHBondContact SG-CB 3.47Å; C99-C149 CovalentContact SG-SG 2.05Å; C99-C149 PolarHBondContact SG-SG 2.8Å; F145-C149 HydrophobicContact CD2-CB 4.44Å; F145-C149 HydrophobicContact CE2-CB 4.16Å; F145-C149 HydrophobicContact CZ-CB 4.47Å; F145-C149 VanDerWaalsContact O-CB 3.28Å; F145-C149 WeakPolarHBondContact O-CB 3.04Å; F145-C149 PolarHBondContact O-N 2.69Å; Y146-C149 PolarHBondContact O-N 3.19Å; C149-G151 VanDerWaalsContact C-N 3.27Å; C149-G151 PolarHBondContact O-N 2.59Å; C149-H152 PolarHBondContact O-N 3.44Å; C149-I153 PolarHBondContact O-N 2.91Å; C149-F157 HydrophobicContact CB-CE2 3.67Å; C149-F157 HydrophobicContact CB-CZ 3.88Å
150	R	76.5	Confident	72.4	Confident	123 Å²	123	66.3 Å²	66.3	46%	0.464	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-41.9	179.7	179.4	-175.9	-172.5	179.6	5.5	113.4	Y146 H152 F157	Y146-R150 HydrophobicContact CE1-CB 4.48Å; Y146-R150 HydrophobicContact CE1-CG 4.42Å; Y146-R150 WeakPolarHBondContact O-CB 3.2Å; Y146-R150 PolarHBondContact O-N 3.27Å; R150-H152 VanDerWaalsContact C-N 3.28Å; R150-H152 PolarHBondContact O-N 2.79Å; R150-F157 HydrophobicContact CB-CD2 4.38Å; R150-F157 HydrophobicContact CG-CB 4.41Å
151	G	67.4	Low	72.5	Confident	67 Å²	67	62.2 Å²	62.2	69%	0.691	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.5	-179.8	0	0	0	0	0	114.9	C149	C149-G151 VanDerWaalsContact C-N 3.27Å; C149-G151 PolarHBondContact O-N 2.59Å
152	H	69.4	Low	72.4	Confident	87 Å²	87	66.5 Å²	66.5	40%	0.403	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-22.8	-172.6	-62.9	-61	0	0	0	113.8	T94 N96 C149 R150	T94-H152 HydrophobicContact CG2-CB 3.83Å; N96-H152 PolarHBondContact ND2-NE2 3.42Å; C149-H152 PolarHBondContact O-N 3.44Å; R150-H152 VanDerWaalsContact C-N 3.28Å; R150-H152 PolarHBondContact O-N 2.79Å
153	I	68.1	Low	72.2	Confident	9 Å²	9	72.3 Å²	72.3	5%	0.046	37%	0.365	C	S	.	.			trans	-134.8	66.8	177.8	-44.6	170.8	0	0	0	109.4	I91 F92 T94 L103 C149 E155 L156 F157	I91-I153 HydrophobicContact CG2-CG2 4.29Å; I91-I153 WeakPolarHBondContact O-CG2 3.45Å; F92-I153 HydrophobicContact CD1-CD1 4.06Å; F92-I153 HydrophobicContact CE1-CD1 4.48Å; T94-I153 HydrophobicContact CG2-CD1 3.99Å; T94-I153 HydrophobicContact CG2-CG1 3.63Å; L103-I153 HydrophobicContact CD1-CD1 3.63Å; L103-I153 HydrophobicContact CD2-CD1 3.94Å; L103-I153 HydrophobicContact CG-CD1 4.27Å; C149-I153 PolarHBondContact O-N 2.91Å; I153-E155 PolarHBondContact O-N 3.39Å; I153-E155 VanDerWaalsContact O-N 3.11Å; I153-L156 HydrophobicContact CB-CB 4.44Å; I153-L156 HydrophobicContact CG2-CB 3.83Å; I153-L156 PolarHBondContact O-N 3.28Å; I153-L156 VanDerWaalsContact O-N 3.1Å; I153-F157 HydrophobicContact CB-CE2 4.44Å; I153-F157 VanDerWaalsContact O-CD2 3.24Å; I153-F157 WeakPolarHBondContact O-CD2 3.33Å
154	P	63.5	Low	72.1	Confident	92 Å²	92	67.2 Å²	67.2	60%	0.597	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.4	-175.3	23.9	-33.1	0	0	0	113	L156 F157	P154-L156 VanDerWaalsContact C-N 3.26Å; P154-L156 PolarHBondContact O-N 2.93Å; P154-F157 PolarHBondContact O-N 2.75Å
155	E	62.5	Low	72	Confident	131 Å²	131	62.3 Å²	62.3	61%	0.612	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.6	177.3	-65.5	-176	175.9	0	0	113.8	I153	I153-E155 PolarHBondContact O-N 3.39Å; I153-E155 VanDerWaalsContact O-N 3.11Å
156	L	65.3	Low	71.8	Confident	31 Å²	31	67.5 Å²	67.5	16%	0.162	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-22.5	-179.1	-172.3	64.8	0	0	0	112.7	F92 L134 F145 I153 P154	F92-L156 HydrophobicContact CE1-CD2 4.11Å; L134-L156 HydrophobicContact CD1-CD1 4.21Å; L134-L156 HydrophobicContact CD1-CD2 4.26Å; F145-L156 HydrophobicContact CE1-CD2 3.92Å; F145-L156 HydrophobicContact CZ-CD2 4.03Å; I153-L156 HydrophobicContact CB-CB 4.44Å; I153-L156 HydrophobicContact CG2-CB 3.83Å; I153-L156 PolarHBondContact O-N 3.28Å; I153-L156 VanDerWaalsContact O-N 3.1Å; P154-L156 VanDerWaalsContact C-N 3.26Å; P154-L156 PolarHBondContact O-N 2.93Å
157	F	68.4	Low	71.3	Confident	14 Å²	14	74.8 Å²	74.8	6%	0.061	38%	0.376	C	S	.	.			trans	-117	61.2	-170.8	-57.6	-70.6	0	0	0	111	F145 Y146 C149 R150 I153 P154 A159 F164	F145-F157 HydrophobicContact CD1-CE1 4.04Å; F145-F157 AromaticContact CD1-CZ 3.8Å; F145-F157 HydrophobicContact CD1-CZ 3.8Å; F145-F157 AromaticContact CE1-CE1 3.95Å; F145-F157 HydrophobicContact CE1-CE1 3.95Å; F145-F157 AromaticContact CE1-CZ 3.48Å; F145-F157 HydrophobicContact CE1-CZ 3.48Å; F145-F157 VanDerWaalsContact CE1-CZ 3.48Å; F145-F157 HydrophobicContact CZ-CZ 4.04Å; Y146-F157 HydrophobicContact CD2-CB 4.48Å; Y146-F157 AromaticContact CD2-CD1 3.32Å; Y146-F157 HydrophobicContact CD2-CD1 3.32Å; Y146-F157 AromaticContact CD2-CE1 3.78Å; Y146-F157 HydrophobicContact CD2-CE1 3.78Å; Y146-F157 HydrophobicContact CD2-CG 4.17Å; Y146-F157 HydrophobicContact CE2-CB 3.99Å; Y146-F157 AromaticContact CE2-CD1 3.68Å; Y146-F157 HydrophobicContact CE2-CD1 3.68Å; Y146-F157 HydrophobicContact CE2-CG 4.18Å; Y146-F157 HydrophobicContact CG-CD1 4.18Å; Y146-F157 HydrophobicContact CG-CE1 4.31Å; C149-F157 HydrophobicContact CB-CE2 3.67Å; C149-F157 HydrophobicContact CB-CZ 3.88Å; R150-F157 HydrophobicContact CB-CD2 4.38Å; R150-F157 HydrophobicContact CG-CB 4.41Å; I153-F157 HydrophobicContact CB-CE2 4.44Å; I153-F157 VanDerWaalsContact O-CD2 3.24Å; I153-F157 WeakPolarHBondContact O-CD2 3.33Å; P154-F157 PolarHBondContact O-N 2.75Å; F157-A159 VanDerWaalsContact C-N 3.32Å; F157-F164 HydrophobicContact CD1-CD1 4.43Å; F157-F164 AromaticContact CD1-CD2 3.86Å; F157-F164 HydrophobicContact CD1-CD2 3.86Å; F157-F164 HydrophobicContact CD1-CE1 4.26Å; F157-F164 AromaticContact CD1-CE2 3.65Å; F157-F164 HydrophobicContact CD1-CE2 3.65Å; F157-F164 HydrophobicContact CD1-CG 4.25Å; F157-F164 AromaticContact CD1-CZ 3.89Å; F157-F164 HydrophobicContact CD1-CZ 3.89Å; F157-F164 HydrophobicContact CE1-CD1 4.32Å; F157-F164 HydrophobicContact CE1-CD2 4.27Å; F157-F164 AromaticContact CE1-CE1 3.76Å; F157-F164 HydrophobicContact CE1-CE1 3.76Å; F157-F164 AromaticContact CE1-CE2 3.7Å; F157-F164 HydrophobicContact CE1-CE2 3.7Å; F157-F164 AromaticContact CE1-CZ 3.43Å; F157-F164 HydrophobicContact CE1-CZ 3.43Å; F157-F164 VanDerWaalsContact CE1-CZ 3.43Å; F157-F164 HydrophobicContact CZ-CZ 4.46Å
158	Q	60.9	Low	70.9	Confident	172 Å²	172	70.4 Å²	70.4	80%	0.804	36%	0.359	S	S	*	.			trans	-82.1	-9.9	178.6	-63.1	-175.7	-2.4	0	0	113.7
159	A	64.7	Low	70.3	Confident	31 Å²	31	68.6 Å²	68.6	26%	0.256	35%	0.348	S	S	.	.	S	Bend	trans	-118.4	159.9	-177.4	0	0	0	0	0	111	Y146 F157 E163	Y146-A159 WeakPolarHBondContact CE2-O 3.32Å; Y146-A159 PolarHBondContact OH-O 3.35Å; F157-A159 VanDerWaalsContact C-N 3.32Å; A159-E163 HydrophobicContact CB-CB 4.09Å; A159-E163 HydrophobicContact CB-CG 4.17Å
160	D	74.1	Confident	70.2	Confident	110 Å²	110	71.2 Å²	71.2	59%	0.588	36%	0.358	S	S	*	.			trans	-64.8	160.2	176.5	-80.8	-33.7	0	0	0	112.3	D162 E163 F164	D160-D162 VanDerWaalsContact C-N 3.26Å; D160-D162 PolarHBondContact O-N 3.07Å; D160-D162 VanDerWaalsContact O-N 3.16Å; D160-E163 PolarHBondContact O-N 3.14Å; D160-F164 WeakPolarHBondContact O-CB 3.38Å; D160-F164 PolarHBondContact O-N 2.98Å
161	V	75.4	Confident	69.2	Low	16 Å²	16	74 Å²	74	10%	0.097	37%	0.368	C	S	.	.	H	α-helix	trans	-50.7	-46.7	-173.2	-176	0	0	0	0	111.6	R143 Y146 Y147 C165	R143-V161 HydrophobicContact CG-CG1 4.16Å; Y146-V161 HydrophobicContact CD1-CB 4.09Å; Y146-V161 HydrophobicContact CD1-CG1 4.12Å; Y146-V161 HydrophobicContact CD1-CG2 3.43Å; Y146-V161 VanDerWaalsContact CD1-CG2 3.43Å; Y146-V161 HydrophobicContact CE1-CB 4Å; Y146-V161 HydrophobicContact CE1-CG2 3.13Å; Y146-V161 HydrophobicContact CG-CG1 4.32Å; Y146-V161 HydrophobicContact CG-CG2 4.3Å; Y147-V161 HydrophobicContact CE1-CG2 3.9Å; Y147-V161 HydrophobicContact CE2-CG1 4.29Å; V161-C165 WeakPolarHBondContact O-CB 3.26Å; V161-C165 PolarHBondContact O-N 3.5Å
162	D	74.3	Confident	68.7	Low	103 Å²	103	74 Å²	74	55%	0.551	37%	0.369	S	S	*	.	H	α-helix	trans	-72.8	-34.1	-175.8	-68.6	-44	0	0	0	111.5	R143 D160 Q166	R143-D162 IonicContact NH2-OD1 3.14Å; R143-D162 PolarHBondContact NH2-OD1 3.07Å; R143-D162 VanDerWaalsContact NH2-OD1 3.14Å; D160-D162 VanDerWaalsContact C-N 3.26Å; D160-D162 PolarHBondContact O-N 3.07Å; D160-D162 VanDerWaalsContact O-N 3.16Å; D162-Q166 WeakPolarHBondContact O-CB 3.47Å; D162-Q166 PolarHBondContact O-N 3.22Å
163	E	75.1	Confident	67.7	Low	121 Å²	121	74.4 Å²	74.4	57%	0.565	39%	0.387	S	S	*	.	H	α-helix	trans	-72.1	-41.4	176.2	-165.6	174.8	-164.3	0	0	111.3	A159 D160 Q166 Y167	A159-E163 HydrophobicContact CB-CB 4.09Å; A159-E163 HydrophobicContact CB-CG 4.17Å; D160-E163 PolarHBondContact O-N 3.14Å; E163-Q166 PolarHBondContact O-N 3.4Å; E163-Y167 PolarHBondContact O-N 2.94Å
164	F	78	Confident	67.2	Low	6 Å²	6	76.3 Å²	76.3	3%	0.026	41%	0.409	C	S	.	.	H	α-helix	trans	-60.8	-49.1	173.4	179.2	-93.2	0	0	0	111.7	L134 F145 Y146 F157 D160 Q166 Y167 Y168	L134-F164 HydrophobicContact CD1-CZ 4.03Å; F145-F164 HydrophobicContact CD1-CE1 4.37Å; F145-F164 HydrophobicContact CD1-CZ 4.32Å; F145-F164 HydrophobicContact CE1-CZ 4.36Å; Y146-F164 HydrophobicContact CD2-CB 3.91Å; Y146-F164 AromaticContact CD2-CD1 3.71Å; Y146-F164 HydrophobicContact CD2-CD1 3.71Å; Y146-F164 HydrophobicContact CD2-CD2 4.45Å; Y146-F164 HydrophobicContact CD2-CE1 4.38Å; Y146-F164 AromaticContact CD2-CG 3.76Å; Y146-F164 HydrophobicContact CD2-CG 3.76Å; Y146-F164 HydrophobicContact CE2-CB 3.98Å; Y146-F164 HydrophobicContact CE2-CG 4.2Å; F157-F164 HydrophobicContact CD1-CD1 4.43Å; F157-F164 AromaticContact CD1-CD2 3.86Å; F157-F164 HydrophobicContact CD1-CD2 3.86Å; F157-F164 HydrophobicContact CD1-CE1 4.26Å; F157-F164 AromaticContact CD1-CE2 3.65Å; F157-F164 HydrophobicContact CD1-CE2 3.65Å; F157-F164 HydrophobicContact CD1-CG 4.25Å; F157-F164 AromaticContact CD1-CZ 3.89Å; F157-F164 HydrophobicContact CD1-CZ 3.89Å; F157-F164 HydrophobicContact CE1-CD1 4.32Å; F157-F164 HydrophobicContact CE1-CD2 4.27Å; F157-F164 AromaticContact CE1-CE1 3.76Å; F157-F164 HydrophobicContact CE1-CE1 3.76Å; F157-F164 AromaticContact CE1-CE2 3.7Å; F157-F164 HydrophobicContact CE1-CE2 3.7Å; F157-F164 AromaticContact CE1-CZ 3.43Å; F157-F164 HydrophobicContact CE1-CZ 3.43Å; F157-F164 VanDerWaalsContact CE1-CZ 3.43Å; F157-F164 HydrophobicContact CZ-CZ 4.46Å; D160-F164 WeakPolarHBondContact O-CB 3.38Å; D160-F164 PolarHBondContact O-N 2.98Å; F164-Q166 VanDerWaalsContact C-N 3.28Å; F164-Q166 PolarHBondContact O-N 3.45Å; F164-Y167 PolarHBondContact O-N 2.78Å; F164-Y168 AromaticContact CD2-CD2 3.71Å; F164-Y168 HydrophobicContact CD2-CD2 3.71Å; F164-Y168 AromaticContact CD2-CE2 3.98Å; F164-Y168 HydrophobicContact CD2-CE2 3.98Å; F164-Y168 HydrophobicContact CE1-CD2 4.39Å; F164-Y168 AromaticContact CE2-CD2 3.46Å; F164-Y168 HydrophobicContact CE2-CD2 3.46Å; F164-Y168 VanDerWaalsContact CE2-CD2 3.46Å; F164-Y168 AromaticContact CE2-CE2 3.7Å; F164-Y168 HydrophobicContact CE2-CE2 3.7Å; F164-Y168 HydrophobicContact CE2-CG 4.38Å; F164-Y168 HydrophobicContact CG-CD2 4.27Å; F164-Y168 AromaticContact CZ-CD2 3.83Å; F164-Y168 HydrophobicContact CZ-CD2 3.83Å; F164-Y168 HydrophobicContact CZ-CE2 4.42Å; F164-Y168 HydrophobicContact CZ-CG 4.34Å; F164-Y168 PolarHBondContact O-N 3.03Å
165	C	76.9	Confident	67.2	Low	3 Å²	3	76.9 Å²	76.9	2%	0.02	41%	0.406	C	S	.	.	H	α-helix	trans	-76.1	-16.1	178.4	-69.5	0	0	0	0	113.6	C142 V161 G169	C142-C165 HydrophobicContact CB-CB 4.05Å; C142-C165 WeakPolarHBondContact CB-SG 3.43Å; C142-C165 WeakPolarHBondContact SG-CA 3.06Å; C142-C165 WeakPolarHBondContact SG-CB 3.36Å; C142-C165 CovalentContact SG-SG 2.05Å; C142-C165 PolarHBondContact SG-SG 2.54Å; V161-C165 WeakPolarHBondContact O-CB 3.26Å; V161-C165 PolarHBondContact O-N 3.5Å; C165-G169 WeakPolarHBondContact O-CA 3.23Å; C165-G169 PolarHBondContact O-N 3.13Å
166	Q	73.6	Confident	67.5	Low	108 Å²	108	71.9 Å²	71.9	51%	0.505	39%	0.386	S	S	.	.	H	α-helix	trans	-75.4	-30	168.8	-173.1	174.3	43.6	0	0	111.9	D162 E163 F164 R171	D162-Q166 WeakPolarHBondContact O-CB 3.47Å; D162-Q166 PolarHBondContact O-N 3.22Å; E163-Q166 PolarHBondContact O-N 3.4Å; F164-Q166 VanDerWaalsContact C-N 3.28Å; F164-Q166 PolarHBondContact O-N 3.45Å; Q166-R171 VanDerWaalsContact CD-NH2 3.27Å
167	Y	69.6	Low	67.8	Low	154 Å²	154	70.5 Å²	70.5	60%	0.604	38%	0.378	S	S	*	.	H	α-helix	trans	-84.5	-51.4	178	-160.1	-92.8	0	0	0	112.7	E163 F164	E163-Y167 PolarHBondContact O-N 2.94Å; F164-Y167 PolarHBondContact O-N 2.78Å
168	Y	72.3	Confident	67.4	Low	61 Å²	61	71.2 Å²	71.2	24%	0.239	38%	0.384	C	S	.	.	H	α-helix	trans	-95.1	-17.9	-176.8	-66.7	-76.9	0	0	0	113.9	L134 L137 F164	L134-Y168 HydrophobicContact CB-CD1 3.95Å; L134-Y168 HydrophobicContact CB-CE1 4.22Å; L134-Y168 HydrophobicContact CD1-CD1 4.02Å; L134-Y168 HydrophobicContact CD1-CE1 4.15Å; L134-Y168 HydrophobicContact CD1-CG 4.26Å; L137-Y168 PolarHBondContact N-O 2.92Å; F164-Y168 AromaticContact CD2-CD2 3.71Å; F164-Y168 HydrophobicContact CD2-CD2 3.71Å; F164-Y168 AromaticContact CD2-CE2 3.98Å; F164-Y168 HydrophobicContact CD2-CE2 3.98Å; F164-Y168 HydrophobicContact CE1-CD2 4.39Å; F164-Y168 AromaticContact CE2-CD2 3.46Å; F164-Y168 HydrophobicContact CE2-CD2 3.46Å; F164-Y168 VanDerWaalsContact CE2-CD2 3.46Å; F164-Y168 AromaticContact CE2-CE2 3.7Å; F164-Y168 HydrophobicContact CE2-CE2 3.7Å; F164-Y168 HydrophobicContact CE2-CG 4.38Å; F164-Y168 HydrophobicContact CG-CD2 4.27Å; F164-Y168 AromaticContact CZ-CD2 3.83Å; F164-Y168 HydrophobicContact CZ-CD2 3.83Å; F164-Y168 HydrophobicContact CZ-CE2 4.42Å; F164-Y168 HydrophobicContact CZ-CG 4.34Å; F164-Y168 PolarHBondContact O-N 3.03Å
169	G	68.1	Low	67.3	Low	1 Å²	1	64 Å²	64	1%	0.01	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-84.1	168.7	175.1	0	0	0	0	0	113	R136 L137 C165	R136-G169 PolarHBondContact NH1-O 3.29Å; L137-G169 WeakPolarHBondContact O-CA 3.49Å; C165-G169 WeakPolarHBondContact O-CA 3.23Å; C165-G169 PolarHBondContact O-N 3.13Å
170	R	69.3	Low	66.5	Low	56 Å²	56	68.7 Å²	68.7	21%	0.211	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-98.8	134.3	-175.1	-171	162.7	-177.1	-75.8	-20.8	112.4	L137 G172 A173 G174 L175 C176	L137-R170 PolarHBondContact O-N 2.79Å; R170-G172 VanDerWaalsContact NH1-C 3.32Å; R170-G172 PolarHBondContact NH1-O 3.46Å; R170-A173 VanDerWaalsContact CZ-C 3.43Å; R170-A173 PolarHBondContact NH2-O 3.1Å; R170-G174 PolarHBondContact NH1-O 2.83Å; R170-L175 VanDerWaalsContact CD-O 3.22Å; R170-L175 WeakPolarHBondContact CD-O 3.4Å; R170-L175 PolarHBondContact NE-O 3.18Å; R170-C176 HydrophobicContact CB-CB 4.24Å
171	R	56	Low	65.2	Low	181 Å²	181	69.7 Å²	69.7	68%	0.683	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-97.3	118.4	166.8	-57.1	-171.4	-167.5	-170.3	8.6	109.6	Q166	Q166-R171 VanDerWaalsContact CD-NH2 3.27Å
172	G	57.4	Low	63.8	Low	68 Å²	68	72.6 Å²	72.6	70%	0.701	37%	0.373	S	S	*	.	S	Bend	trans	96.1	-161.7	172	0	0	0	0	0	116.8	R170	R170-G172 VanDerWaalsContact NH1-C 3.32Å; R170-G172 PolarHBondContact NH1-O 3.46Å
173	A	48.3	Very low	62.4	Low	94 Å²	94	74.7 Å²	74.7	78%	0.777	37%	0.374	S	S	*	.	S	Bend	trans	-106.2	122.3	-166.3	0	0	0	0	0	115	R170	R170-A173 VanDerWaalsContact CZ-C 3.43Å; R170-A173 PolarHBondContact NH2-O 3.1Å
174	G	58.5	Low	60.8	Low	50 Å²	50	75.7 Å²	75.7	52%	0.515	38%	0.378	S	S	.	.	S	Bend	trans	143.1	-172.2	-167.5	0	0	0	0	0	113.1	R170	R170-G174 PolarHBondContact NH1-O 2.83Å
175	L	61.9	Low	59	Low	104 Å²	104	83.9 Å²	83.9	55%	0.545	42%	0.417	S	S	.	.			trans	-76.3	131.6	-161.3	-64.3	160.6	0	0	0	112.4	L118 R170	L118-L175 HydrophobicContact CD2-CB 3.94Å; L118-L175 WeakPolarHBondContact CD2-O 3.36Å; R170-L175 VanDerWaalsContact CD-O 3.22Å; R170-L175 WeakPolarHBondContact CD-O 3.4Å; R170-L175 PolarHBondContact NE-O 3.18Å
176	C	70.2	Confident	57	Low	26 Å²	26	90.5 Å²	90.5	18%	0.176	45%	0.451	C	S	.	.			trans	-138.9	159.5	171.3	58.4	0	0	0	0	110.1	C138 R170 P178	C138-C176 WeakPolarHBondContact CA-SG 3.34Å; C138-C176 HydrophobicContact CB-CB 3.99Å; C138-C176 WeakPolarHBondContact CB-SG 3.15Å; C138-C176 WeakPolarHBondContact SG-CB 2.84Å; C138-C176 CovalentContact SG-SG 2.04Å; C138-C176 PolarHBondContact SG-SG 3.39Å; R170-C176 HydrophobicContact CB-CB 4.24Å; C176-P178 CarbonylContact O-C 3.58Å
177	F	70.4	Confident	55.1	Low	2 Å²	2	86.9 Å²	86.9	1%	0.009	44%	0.443	C	S	.	.	B	Isolated β-bridge	trans	-92.8	138	177.8	-179.8	-92.2	0	0	0	110.7	E105 I106 A109 A115 L118 P135 R136 L137 C138 F141	E105-F177 HydrophobicContact CB-CZ 4.35Å; E105-F177 WeakPolarHBondContact O-CZ 3.41Å; I106-F177 HydrophobicContact CG1-CD1 4.49Å; I106-F177 HydrophobicContact CG1-CE1 3.95Å; A109-F177 HydrophobicContact CB-CD2 3.49Å; A109-F177 VanDerWaalsContact CB-CD2 3.49Å; A109-F177 HydrophobicContact CB-CE2 3.41Å; A109-F177 VanDerWaalsContact CB-CE2 3.41Å; A109-F177 HydrophobicContact CB-CG 4.23Å; A109-F177 HydrophobicContact CB-CZ 4.1Å; A115-F177 HydrophobicContact CB-CD2 4.04Å; L118-F177 HydrophobicContact CD1-CB 3.88Å; P135-F177 HydrophobicContact CB-CB 4.3Å; P135-F177 HydrophobicContact CG-CB 4.11Å; P135-F177 HydrophobicContact CG-CD1 4.24Å; P135-F177 HydrophobicContact CG-CG 4.11Å; R136-F177 PolarHBondContact O-N 2.76Å; L137-F177 CarbonylContact C-O 3.59Å; L137-F177 WeakPolarHBondContact CA-O 3.24Å; L137-F177 HydrophobicContact CD2-CB 4.37Å; L137-F177 HydrophobicContact CD2-CD1 3.82Å; C138-F177 PolarHBondContact N-O 2.84Å; C138-F177 PolarHBondContact SG-O 2.8Å; C138-F177 VanDerWaalsContact SG-O 3.42Å; F141-F177 HydrophobicContact CD1-CD1 4.34Å; F141-F177 AromaticContact CE1-CD1 3.97Å; F141-F177 HydrophobicContact CE1-CD1 3.97Å; F141-F177 AromaticContact CE1-CE1 3.83Å; F141-F177 HydrophobicContact CE1-CE1 3.83Å; F141-F177 HydrophobicContact CZ-CD1 4.46Å; F141-F177 AromaticContact CZ-CE1 3.89Å; F141-F177 HydrophobicContact CZ-CE1 3.89Å
178	P	60.7	Low	53.5	Low	28 Å²	28	89 Å²	89	18%	0.182	46%	0.459	C	S	.	.	S	Bend	cis	-77.9	136.6	-2.8	30	-32.7	0	0	0	111.9	F141 C176	F141-P178 HydrophobicContact CD2-CG 4.03Å; F141-P178 HydrophobicContact CE2-CG 4.46Å; F141-P178 HydrophobicContact CG-CG 4.32Å; C176-P178 CarbonylContact O-C 3.58Å
179	D	58	Low	51.8	Low	21 Å²	21	92.2 Å²	92.2	11%	0.112	48%	0.48	C	S	.	.			trans	-36.2	145.6	-174.5	-87.6	-42.2	0	0	0	115	S112 Q181 R182	S112-D179 PolarHBondContact OG-OD2 3.29Å; D179-Q181 PolarHBondContact O-N 2.92Å; D179-R182 PolarHBondContact O-N 2.8Å
180	Y	47.9	Very low	50.2	Low	129 Å²	129	96.2 Å²	96.2	51%	0.506	51%	0.507	S	S	.	.	H	α-helix	trans	-45.9	-28.7	177.4	-179.5	-102.2	0	0	0	115	R182 R183 E194	Y180-R182 VanDerWaalsContact C-N 3.28Å; Y180-R182 PolarHBondContact O-N 2.89Å; Y180-R183 PolarHBondContact O-N 2.73Å; Y180-E194 WeakPolarHBondContact CE2-OE1 3.3Å; Y180-E194 PolarHBondContact OH-OE2 3.35Å; Y180-E194 VanDerWaalsContact OH-OE2 3.09Å
181	Q	47.8	Very low	48.6	Very low	132 Å²	132	99.5 Å²	99.5	62%	0.617	53%	0.529	S	S	*	.	H	α-helix	trans	-69.4	-20.4	178	-74.9	-175.3	-28.9	0	0	114.2	D179 Q184	D179-Q181 PolarHBondContact O-N 2.92Å; Q181-Q184 PolarHBondContact O-N 2.93Å
182	R	46	Very low	47.2	Very low	76 Å²	76	101.2 Å²	101.2	29%	0.287	54%	0.537	S	S	.	.	H	α-helix	trans	-77.7	-27	176.8	-143.8	-179.7	-171.1	-160	-3.2	112.2	E105 D179 Y180 Q184 Q185 L186	E105-R182 IonicContact OE1-CZ 2.84Å; E105-R182 IonicContact OE1-NH1 3.85Å; E105-R182 PolarHBondContact OE1-NH1 2.99Å; E105-R182 IonicContact OE1-NH2 2.68Å; E105-R182 PolarHBondContact OE1-NH2 2.9Å; E105-R182 IonicContact OE2-CZ 2.76Å; E105-R182 IonicContact OE2-NH1 3.78Å; E105-R182 PolarHBondContact OE2-NH1 2.88Å; E105-R182 IonicContact OE2-NH2 3.14Å; D179-R182 PolarHBondContact O-N 2.8Å; Y180-R182 VanDerWaalsContact C-N 3.28Å; Y180-R182 PolarHBondContact O-N 2.89Å; R182-Q184 PolarHBondContact O-N 2.85Å; R182-Q185 PolarHBondContact O-N 2.9Å; R182-L186 PolarHBondContact O-N 3.21Å
183	R	44.9	Very low	46.1	Very low	147 Å²	147	105.7 Å²	105.7	56%	0.555	54%	0.544	S	S	*	.	H	α-helix	trans	-56.7	-30.8	168	-83.8	-172.4	172.9	-171.9	-4.1	112	D140 Y180 Q185	D140-R183 IonicContact OD2-NH2 3.94Å; D140-R183 PolarHBondContact OD2-NH2 2.68Å; Y180-R183 PolarHBondContact O-N 2.73Å; R183-Q185 PolarHBondContact O-N 3.42Å
184	Q	41.7	Very low	45.4	Very low	143 Å²	143	106.1 Å²	106.1	67%	0.668	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-17.3	177.5	-81.1	-175.9	-15.9	0	0	114.8	Q181 R182	Q181-Q184 PolarHBondContact O-N 2.93Å; R182-Q184 PolarHBondContact O-N 2.85Å
185	Q	38.4	Very low	44.3	Very low	178 Å²	178	111.1 Å²	111.1	83%	0.832	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-10	-177.4	-74.2	-160.5	-58.6	0	0	115	R182 R183	R182-Q185 PolarHBondContact O-N 2.9Å; R183-Q185 PolarHBondContact O-N 3.42Å
186	L	36.6	Very low	43.1	Very low	141 Å²	141	113.1 Å²	113.1	74%	0.738	55%	0.552	S	S	*	*	S	Bend	trans	-113.7	44	173.5	-108.8	139	0	0	0	111.6	R182	R182-L186 PolarHBondContact O-N 3.21Å
187	G	33.2	Very low	41.4	Very low	33 Å²	33	121.2 Å²	121.2	34%	0.34	58%	0.584	S	S	.	*			trans	-177.3	64.4	178	0	0	0	0	0	114.5
188	Q	36.3	Very low	39.9	Very low	199 Å²	199	128.8 Å²	128.8	93%	0.93	62%	0.623	S	S	*	*	S	Bend	trans	-75.8	-6.7	147	-103	177.1	-20.7	0	0	111.5
189	D	36	Very low	38.7	Very low	127 Å²	127	135.6 Å²	135.6	68%	0.679	65%	0.652	S	S	*	*	S	Bend	trans	-131.9	18.8	179.7	-65.9	-51.6	0	0	0	114.1
190	S	34.9	Very low	37.4	Very low	85 Å²	85	142.6 Å²	142.6	59%	0.594	69%	0.69	S	S	*	*			trans	-96.5	137.4	179.4	179.2	0	0	0	0	113.2
191	N	35.1	Very low	37.2	Very low	125 Å²	125	144.6 Å²	144.6	67%	0.668	71%	0.707	S	S	*	*			trans	-101.6	60.8	-166.2	-70.3	-37	0	0	0	114.6
192	Y	27.4	Very low	37	Very low	217 Å²	217	142.8 Å²	142.8	85%	0.851	71%	0.709	S	S	*	*			trans	-135.1	128.3	167.1	-83.5	-84.6	0	0	0	112.2	E194	Y192-E194 PolarHBondContact O-N 2.97Å
193	L	33.2	Very low	36.7	Very low	162 Å²	162	150 Å²	150	85%	0.848	74%	0.737	S	S	*	*			trans	-58.9	116.4	163.7	-78.2	152.6	0	0	0	107.8	D195	L193-D195 PolarHBondContact O-N 2.96Å
194	E	34	Very low	36.6	Very low	103 Å²	103	150.6 Å²	150.6	48%	0.481	74%	0.743	S	S	.	*			trans	-73.4	111.8	154.7	-71.2	-164.5	156.9	0	0	106.1	Y180 Y192 E196	Y180-E194 WeakPolarHBondContact CE2-OE1 3.3Å; Y180-E194 PolarHBondContact OH-OE2 3.35Å; Y180-E194 VanDerWaalsContact OH-OE2 3.09Å; Y192-E194 PolarHBondContact O-N 2.97Å; E194-E196 PolarHBondContact O-N 3.06Å
195	D	34.9	Very low	36.7	Very low	155 Å²	155	151.2 Å²	151.2	83%	0.829	75%	0.746	S	S	*	*			trans	-58.7	88.2	163.2	-77.2	-32.8	0	0	0	108	L193 K197	L193-D195 PolarHBondContact O-N 2.96Å; D195-K197 PolarHBondContact O-N 2.9Å; D195-K197 VanDerWaalsContact O-N 3.15Å
196	E	37.9	Very low	37	Very low	146 Å²	146	149.6 Å²	149.6	68%	0.682	74%	0.736	S	S	*	*			trans	-66.8	111.8	165.3	-77.1	-162.5	149.8	0	0	107.2	E194 I198	E194-E196 PolarHBondContact O-N 3.06Å; E196-I198 PolarHBondContact O-N 2.88Å
197	K	33.7	Very low	37.8	Very low	196 Å²	196	149.9 Å²	149.9	85%	0.852	73%	0.733	S	S	*	*			trans	-42.7	125.9	171	-76.6	-177.2	172.1	-172.6	0	110.4	D195 E199	D195-K197 PolarHBondContact O-N 2.9Å; D195-K197 VanDerWaalsContact O-N 3.15Å; K197-E199 PolarHBondContact O-N 2.87Å
198	I	38.6	Very low	39.5	Very low	162 Å²	162	152.1 Å²	152.1	83%	0.831	74%	0.737	S	S	*	*	S	Bend	trans	-58	114.2	164.1	-61.7	169.4	0	0	0	106.8	E196	E196-I198 PolarHBondContact O-N 2.88Å
199	E	37.2	Very low	41.6	Very low	170 Å²	170	142.9 Å²	142.9	79%	0.794	70%	0.695	S	S	*	*			trans	150.9	87.8	151.8	-84.7	173.2	-174	0	0	109	K197	K197-E199 PolarHBondContact O-N 2.87Å
200	D	30.3	Very low	44	Very low	168 Å²	168	137.1 Å²	137.1	90%	0.898	66%	0.664	S	S	*	*				-172.8	111.4	127.8	-95.6	-25.7	0	0	0	109.8
201	I	43.6	Very low	46.5	Very low	171 Å²	171	133.9 Å²	133.9	88%	0.877	64%	0.641	S	S	*	*			trans	-68.9	140.4	-177.5	-67.1	165	0	0	0	109.3
202	S	43.6	Very low	49	Very low	94 Å²	94	128.1 Å²	128.1	66%	0.657	61%	0.61	S	S	*	*	S	Bend	trans	77.2	86.7	167.4	-167.2	0	0	0	0	117.2
203	R	40.3	Very low	51.9	Low	229 Å²	229	122.4 Å²	122.4	86%	0.864	59%	0.587	S	S	*	*	S	Bend	trans	162.8	-18.8	135.2	-85.9	160.8	-172.1	-171.6	4	114
204	K	41.3	Very low	54.6	Low	159 Å²	159	117.9 Å²	117.9	69%	0.691	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-84.2	-13.6	-178.2	-77	-177.6	177.2	179.4	0	116.4	K206 H207	K204-K206 PolarHBondContact O-N 2.8Å; K204-K206 VanDerWaalsContact O-N 3.07Å; K204-H207 PolarHBondContact O-N 2.77Å
205	H	44.7	Very low	57.3	Low	156 Å²	156	114.4 Å²	114.4	72%	0.722	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-66	-10	-178.1	-88.1	82.3	0	0	0	115.1	H207 C209	H205-H207 VanDerWaalsContact C-N 3.26Å; H205-H207 PolarHBondContact O-N 3.34Å; H205-C209 PolarHBondContact O-SG 3.25Å
206	K	45	Very low	59.9	Low	143 Å²	143	108.6 Å²	108.6	62%	0.622	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-70.2	-12.3	176.9	-88.4	-176.1	173.3	-179.3	0	115.2	K204 S536	K204-K206 PolarHBondContact O-N 2.8Å; K204-K206 VanDerWaalsContact O-N 3.07Å; K206-S536 PolarHBondContact O-OG 3.3Å
207	H	52.2	Low	62.3	Low	147 Å²	147	105 Å²	105	68%	0.681	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-103.3	-2.6	-172.4	-64.8	-58.6	0	0	0	116	K204 H205 K582	K204-H207 PolarHBondContact O-N 2.77Å; H205-H207 VanDerWaalsContact C-N 3.26Å; H205-H207 PolarHBondContact O-N 3.34Å; H207-K582 WeakPolarHBondContact O-CE 3.4Å
208	N	69.7	Low	64.9	Low	81 Å²	81	97.6 Å²	97.6	43%	0.433	49%	0.486	S	S	.	.	S	Bend	trans	-116.3	16.4	-179.3	-71.5	-13.2	0	0	0	113.7	R496 K582	N208-R496 PolarHBondContact O-NH1 3.5Å; N208-R496 PolarHBondContact O-NH2 3.24Å; N208-K582 WeakPolarHBondContact OD1-CE 3.31Å; N208-K582 PolarHBondContact OD1-NZ 3.22Å
209	C	80.8	Confident	67.3	Low	5 Å²	5	90.1 Å²	90.1	3%	0.034	45%	0.448	C	S	.	.			trans	-77.7	155	-178.1	-52.9	0	0	0	0	112.1	H205 R496 C533 G535 P581	H205-C209 PolarHBondContact O-SG 3.25Å; C209-R496 PolarHBondContact O-NH2 3.07Å; C209-C533 CarbonylContact C-O 3.58Å; C209-C533 VanDerWaalsContact CA-O 3.22Å; C209-C533 WeakPolarHBondContact CA-O 3.35Å; C209-C533 HydrophobicContact CB-CB 3.73Å; C209-C533 WeakPolarHBondContact CB-O 3.45Å; C209-C533 WeakPolarHBondContact CB-SG 3.29Å; C209-C533 WeakPolarHBondContact SG-CB 3.28Å; C209-C533 CovalentContact SG-SG 2.04Å; C209-C533 PolarHBondContact SG-SG 3.25Å; C209-G535 WeakPolarHBondContact CB-O 3.43Å; C209-P581 WeakPolarHBondContact O-CD 3.43Å; C209-P581 WeakPolarHBondContact O-CG 3.2Å
210	Y	86.4	Confident	69.7	Low	6 Å²	6	86.2 Å²	86.2	2%	0.024	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-98.2	155.3	169.7	-62.5	-91.6	0	0	0	110.1	R496 L497 L532 C533 G535 L578 D580	Y210-R496 HydrophobicContact CE1-CG 4.43Å; Y210-R496 VanDerWaalsContact CE2-CZ 3.47Å; Y210-R496 WeakPolarHBondContact OH-CD 3.09Å; Y210-R496 WeakPolarHBondContact OH-CG 3.41Å; Y210-R496 VanDerWaalsContact OH-CZ 3.26Å; Y210-R496 PolarHBondContact OH-NE 3.15Å; Y210-R496 PolarHBondContact OH-NH1 3.18Å; Y210-R496 VanDerWaalsContact OH-NH1 3.11Å; Y210-L497 HydrophobicContact CE1-CB 4.26Å; Y210-L497 HydrophobicContact CE1-CD2 4.2Å; Y210-L497 HydrophobicContact CE2-CD1 4.32Å; Y210-L497 WeakPolarHBondContact OH-CB 3.19Å; Y210-L532 HydrophobicContact CD2-CD1 3.95Å; Y210-L532 HydrophobicContact CD2-CD2 3.49Å; Y210-L532 VanDerWaalsContact CD2-CD2 3.49Å; Y210-L532 HydrophobicContact CD2-CG 3.59Å; Y210-L532 HydrophobicContact CE2-CD1 3.83Å; Y210-L532 HydrophobicContact CE2-CD2 4.17Å; Y210-L532 HydrophobicContact CE2-CG 3.74Å; Y210-L532 HydrophobicContact CG-CD2 4.25Å; Y210-C533 PolarHBondContact N-O 2.78Å; Y210-G535 PolarHBondContact O-N 2.91Å; Y210-L578 HydrophobicContact CG-CD1 4.4Å; Y210-D580 HydrophobicContact CD1-CB 4.07Å; Y210-D580 HydrophobicContact CE1-CB 4.08Å
211	C	86.4	Confident	72.4	Confident	17 Å²	17	79.7 Å²	79.7	12%	0.115	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.8	178.6	-62.6	0	0	0	0	110.5	C539 V579	C211-C539 VanDerWaalsContact CA-SG 3.56Å; C211-C539 HydrophobicContact CB-CB 3.76Å; C211-C539 WeakPolarHBondContact CB-SG 3.38Å; C211-C539 WeakPolarHBondContact SG-CB 3.18Å; C211-C539 CovalentContact SG-SG 2.03Å; C211-C539 PolarHBondContact SG-SG 3.3Å; C211-V579 PolarHBondContact N-O 3.41Å; C211-V579 PolarHBondContact O-N 3.42Å
212	P	88.8	Confident	74.7	Confident	4 Å²	4	71.6 Å²	71.6	3%	0.026	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	122.7	164	30.6	-30.1	0	0	0	109.3	L543 Y576	P212-L543 HydrophobicContact CG-CB 4.19Å; P212-Y576 HydrophobicContact CB-CD1 4.14Å; P212-Y576 HydrophobicContact CB-CG 4.4Å
213	R	88.4	Confident	76.9	Confident	97 Å²	97	69 Å²	69	37%	0.366	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.5	173.8	-174.1	-179.6	73.6	-176.6	-0.5	109.8	V215 Y576 K577 V579 H585	R213-V215 PolarHBondContact O-N 2.89Å; R213-Y576 CarbonylContact O-C 3.46Å; R213-Y576 VanDerWaalsContact O-CA 3.26Å; R213-Y576 WeakPolarHBondContact O-CA 3.19Å; R213-K577 PolarHBondContact N-O 2.91Å; R213-K577 PolarHBondContact O-N 2.94Å; R213-V579 HydrophobicContact CB-CG2 4.35Å; R213-H585 VanDerWaalsContact CZ-NE2 3.33Å; R213-H585 PolarHBondContact NH1-CD2 3.48Å; R213-H585 PolarHBondContact NH1-CE1 3.25Å; R213-H585 PolarHBondContact NH1-NE2 3.31Å; R213-H585 PolarHBondContact NH2-CE1 3.25Å; R213-H585 PolarHBondContact NH2-NE2 3.09Å
214	E	89.4	Confident	79.4	Confident	66 Å²	66	58.8 Å²	58.8	31%	0.308	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	127	173.8	-171.6	167.9	173.5	0	0	110.1	S217 K574 Y576	E214-S217 WeakPolarHBondContact OE1-CB 3.46Å; E214-K574 VanDerWaalsContact CD-NZ 3.27Å; E214-K574 VanDerWaalsContact OE1-CE 3.32Å; E214-K574 WeakPolarHBondContact OE1-CE 3.26Å; E214-K574 IonicContact OE1-NZ 3.31Å; E214-K574 PolarHBondContact OE1-NZ 3Å; E214-K574 IonicContact OE2-NZ 3.26Å; E214-K574 PolarHBondContact OE2-NZ 3.13Å; E214-Y576 HydrophobicContact CB-CD1 3.96Å; E214-Y576 HydrophobicContact CB-CE1 3.82Å; E214-Y576 HydrophobicContact CG-CE1 4.25Å
215	V	89.9	Confident	81.9	Confident	31 Å²	31	51.3 Å²	51.3	19%	0.188	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-47.3	179.5	173	0	0	0	0	110.3	R213 L251 Y559 L575 K577	R213-V215 PolarHBondContact O-N 2.89Å; V215-L251 HydrophobicContact CG1-CB 3.72Å; V215-L251 HydrophobicContact CG1-CD1 3.71Å; V215-L251 HydrophobicContact CG1-CD2 4.13Å; V215-L251 HydrophobicContact CG1-CG 4.05Å; V215-L251 HydrophobicContact CG2-CD1 4.27Å; V215-Y559 HydrophobicContact CG2-CE1 4.32Å; V215-L575 HydrophobicContact CB-CD2 4.33Å; V215-L575 HydrophobicContact CB-CG 4.41Å; V215-L575 HydrophobicContact CG1-CD2 4.22Å; V215-L575 PolarHBondContact N-O 3.14Å; V215-K577 HydrophobicContact CG2-CB 3.82Å
216	L	89.7	Confident	84.3	Confident	33 Å²	33	45.4 Å²	45.4	17%	0.173	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146	-176.7	-174.7	68	0	0	0	110	L219 L247 V253 K574 L575	L216-L219 HydrophobicContact CD2-CD1 4.18Å; L216-L219 HydrophobicContact CD2-CD2 3.55Å; L216-L219 HydrophobicContact CD2-CG 3.91Å; L216-L219 HydrophobicContact CG-CG 4.42Å; L216-L247 HydrophobicContact CD2-CD1 4.37Å; L216-L247 HydrophobicContact CD2-CD2 4.14Å; L216-V253 HydrophobicContact CD1-CG2 3.49Å; L216-V253 VanDerWaalsContact CD1-CG2 3.49Å; L216-V253 HydrophobicContact CD2-CG2 3.45Å; L216-V253 VanDerWaalsContact CD2-CG2 3.45Å; L216-V253 HydrophobicContact CG-CG2 4.11Å; L216-K574 CarbonylContact O-C 3.6Å; L216-K574 VanDerWaalsContact O-CA 3.31Å; L216-K574 WeakPolarHBondContact O-CA 3.49Å; L216-L575 HydrophobicContact CB-CB 4.16Å; L216-L575 PolarHBondContact N-O 3.48Å; L216-L575 PolarHBondContact O-N 3.27Å
217	S	89.3	Confident	86.7	Confident	70 Å²	70	40.5 Å²	40.5	49%	0.49	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	160.4	172.6	64.8	0	0	0	0	110.7	E214 G573	E214-S217 WeakPolarHBondContact OE1-CB 3.46Å; S217-G573 CarbonylContact C-O 3.53Å
218	G	87.3	Confident	88.7	Confident	41 Å²	41	33.8 Å²	33.8	42%	0.423	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	93.7	12.7	176.4	0	0	0	0	0	114.4	H571 G573	G218-H571 WeakPolarHBondContact CA-O 3.33Å; G218-G573 PolarHBondContact N-O 2.98Å
219	L	88.9	Confident	89.8	Confident	5 Å²	5	31.9 Å²	31.9	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	147.7	178.4	-67	171	0	0	0	111.6	L216 P222 V237 L561 G573 L575	L216-L219 HydrophobicContact CD2-CD1 4.18Å; L216-L219 HydrophobicContact CD2-CD2 3.55Å; L216-L219 HydrophobicContact CD2-CG 3.91Å; L216-L219 HydrophobicContact CG-CG 4.42Å; L219-P222 HydrophobicContact CB-CB 4.16Å; L219-P222 HydrophobicContact CB-CG 3.88Å; L219-P222 HydrophobicContact CD1-CB 4.05Å; L219-P222 HydrophobicContact CD1-CG 4.05Å; L219-V237 HydrophobicContact CD1-CG1 3.94Å; L219-V237 HydrophobicContact CD2-CG1 3.94Å; L219-L561 HydrophobicContact CD1-CD2 4.31Å; L219-G573 PolarHBondContact N-O 3.24Å; L219-G573 WeakPolarHBondContact O-CA 3.11Å; L219-G573 PolarHBondContact O-N 3.01Å; L219-L575 HydrophobicContact CD1-CB 4.16Å
220	R	87.9	Confident	90.4	Very high	87 Å²	87	32.3 Å²	32.3	33%	0.328	19%	0.186	S	C	.	.	S	Bend	trans	-94	95.8	178.2	-65.2	176.7	-175.4	-149.2	-3.3	110.2	E239 E241 H571	R220-E239 HydrophobicContact CB-CB 4.48Å; R220-E239 HydrophobicContact CB-CG 4.41Å; R220-E239 PolarHBondContact N-OE1 2.81Å; R220-E239 VanDerWaalsContact O-CB 3.25Å; R220-E239 WeakPolarHBondContact O-CB 3.48Å; R220-E241 WeakPolarHBondContact CD-OE2 3.37Å; R220-E241 IonicContact NH1-OE2 3.06Å; R220-E241 PolarHBondContact NH1-OE2 3.01Å; R220-H571 WeakPolarHBondContact CG-ND1 3.15Å; R220-H571 PolarHBondContact NE-CE1 3.38Å; R220-H571 PolarHBondContact NE-ND1 3.49Å
221	Q	86.3	Confident	90.7	Very high	32 Å²	32	32.8 Å²	32.8	15%	0.15	19%	0.193	C	C	.	.	S	Bend	trans	44.5	62.7	177.7	-58.3	178.5	23.2	0	0	112.5	V223 R240 M567	Q221-V223 PolarHBondContact O-N 2.93Å; Q221-R240 HydrophobicContact CB-CB 3.91Å; Q221-R240 WeakPolarHBondContact O-CB 3.3Å; Q221-R240 PolarHBondContact O-N 3.13Å; Q221-M567 WeakPolarHBondContact CG-O 3.18Å; Q221-M567 PolarHBondContact NE2-O 3.13Å
222	P	91.6	Very high	91	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.6	-177.4	32	-36.4	0	0	0	110.4	L219 V237 V238 L548 L561	L219-P222 HydrophobicContact CB-CB 4.16Å; L219-P222 HydrophobicContact CB-CG 3.88Å; L219-P222 HydrophobicContact CD1-CB 4.05Å; L219-P222 HydrophobicContact CD1-CG 4.05Å; P222-V237 HydrophobicContact CB-CG1 4.06Å; P222-V238 CarbonylContact C-O 3.51Å; P222-V238 WeakPolarHBondContact CA-O 3.48Å; P222-L548 HydrophobicContact CG-CD1 4.3Å; P222-L561 HydrophobicContact CB-CD1 3.96Å; P222-L561 HydrophobicContact CB-CD2 3.65Å; P222-L561 HydrophobicContact CB-CG 4.3Å; P222-L561 HydrophobicContact CG-CB 4.35Å; P222-L561 HydrophobicContact CG-CD2 3.81Å; P222-L561 HydrophobicContact CG-CG 4.47Å
223	V	90.8	Very high	91.3	Very high	40 Å²	40	33.9 Å²	33.9	24%	0.242	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-46.1	-174.7	-166.4	0	0	0	0	111.1	Q221 V238 R240	Q221-V223 PolarHBondContact O-N 2.93Å; V223-V238 PolarHBondContact N-O 3.35Å; V223-R240 HydrophobicContact CG2-CB 3.54Å; V223-R240 HydrophobicContact CG2-CG 4.13Å
224	A	92.4	Very high	91.6	Very high	15 Å²	15	29.5 Å²	29.5	12%	0.124	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	156.1	-178	0	0	0	0	0	111.7	V238	A224-V238 HydrophobicContact CB-CB 4.23Å; A224-V238 HydrophobicContact CB-CG2 4.21Å; A224-V238 WeakPolarHBondContact O-CB 3.45Å; A224-V238 PolarHBondContact O-N 2.79Å
225	V	95	Very high	91.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.4	165.7	177.8	0	0	0	0	109.1	L235 F236 V237 G551 E552 L561 L575	V225-L235 HydrophobicContact CG1-CB 4.2Å; V225-L235 HydrophobicContact CG1-CD2 3.8Å; V225-L235 HydrophobicContact CG1-CG 4.41Å; V225-F236 WeakPolarHBondContact CA-O 3.44Å; V225-V237 HydrophobicContact CG2-CB 4.36Å; V225-V237 HydrophobicContact CG2-CG1 4.19Å; V225-V237 HydrophobicContact CG2-CG2 3.99Å; V225-G551 WeakPolarHBondContact O-CA 3.37Å; V225-E552 PolarHBondContact O-N 3.49Å; V225-L561 HydrophobicContact CG2-CD1 4.05Å; V225-L561 HydrophobicContact CG2-CD2 3.89Å; V225-L561 HydrophobicContact CG2-CG 4.16Å; V225-L575 HydrophobicContact CG2-CD1 3.74Å
226	V	95.3	Very high	92.2	Very high	32 Å²	32	25 Å²	25	19%	0.194	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	155.4	-177.3	-65	0	0	0	0	110.9	F236 L280 F282	V226-F236 HydrophobicContact CG2-CB 4.17Å; V226-F236 PolarHBondContact N-O 3.15Å; V226-F236 PolarHBondContact O-N 2.7Å; V226-L280 HydrophobicContact CG2-CB 4.47Å; V226-L280 HydrophobicContact CG2-CD2 3.5Å; V226-F282 HydrophobicContact CG2-CD2 4.31Å; V226-F282 HydrophobicContact CG2-CE2 3.97Å
227	H	95.1	Very high	92.5	Very high	40 Å²	40	23.5 Å²	23.5	19%	0.185	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	162.3	171.1	71	83.9	0	0	0	110.5	G229 F282 D553 E554	H227-G229 PolarHBondContact ND1-N 2.74Å; H227-F282 WeakPolarHBondContact O-CD2 3.45Å; H227-D553 PolarHBondContact CD2-O 3.02Å; H227-E554 HydrophobicContact CB-CB 4.1Å
228	C	94.3	Very high	92.8	Very high	6 Å²	6	20.1 Å²	20.1	4%	0.041	13%	0.126	C	C	.	.			trans	-102.7	-7.9	-179.4	66.4	0	0	0	0	115.2	D230 F236 F282 Y286	C228-D230 VanDerWaalsContact C-N 3.32Å; C228-D230 PolarHBondContact O-N 2.57Å; C228-D230 PolarHBondContact SG-OD1 3Å; C228-D230 PolarHBondContact SG-OD2 3.48Å; C228-F236 HydrophobicContact CB-CD2 4.31Å; C228-F236 HydrophobicContact CB-CE2 3.59Å; C228-F236 HydrophobicContact CB-CZ 4.16Å; C228-F236 VanDerWaalsContact SG-CE2 3.52Å; C228-F282 HydrophobicContact CB-CB 4.37Å; C228-F282 HydrophobicContact CB-CD1 3.58Å; C228-F282 HydrophobicContact CB-CD2 3.72Å; C228-F282 HydrophobicContact CB-CE1 3.65Å; C228-F282 HydrophobicContact CB-CE2 3.75Å; C228-F282 HydrophobicContact CB-CG 3.62Å; C228-F282 HydrophobicContact CB-CZ 3.74Å; C228-Y286 HydrophobicContact CB-CD1 3.69Å; C228-Y286 HydrophobicContact CB-CE1 3.77Å
229	G	92.7	Very high	93.1	Very high	41 Å²	41	18.2 Å²	18.2	42%	0.423	11%	0.106	S	C	.	.	S	Bend	trans	69.1	26	171.8	0	0	0	0	0	114.4	H227 E554	H227-G229 PolarHBondContact ND1-N 2.74Å; G229-E554 VanDerWaalsContact CA-OE1 3.23Å; G229-E554 WeakPolarHBondContact CA-OE1 3.34Å
230	D	93	Very high	93.2	Very high	14 Å²	14	18.3 Å²	18.3	8%	0.075	11%	0.106	C	C	.	.	S	Bend	trans	-96.9	-3.2	-179.1	65.1	-6	0	0	0	114	C228 S232 R234 Y286 K287 E554	C228-D230 VanDerWaalsContact C-N 3.32Å; C228-D230 PolarHBondContact O-N 2.57Å; C228-D230 PolarHBondContact SG-OD1 3Å; C228-D230 PolarHBondContact SG-OD2 3.48Å; D230-S232 VanDerWaalsContact CG-OG 3.25Å; D230-S232 WeakPolarHBondContact OD1-CB 3.01Å; D230-S232 PolarHBondContact OD1-N 3.12Å; D230-S232 PolarHBondContact OD1-OG 3.26Å; D230-S232 PolarHBondContact OD2-OG 2.64Å; D230-R234 IonicContact OD2-CZ 3.78Å; D230-R234 IonicContact OD2-NE 3.97Å; D230-R234 IonicContact OD2-NH2 2.79Å; D230-R234 PolarHBondContact OD2-NH2 3.31Å; D230-Y286 HydrophobicContact CB-CD1 4.39Å; D230-K287 HydrophobicContact CB-CB 4.11Å; D230-K287 HydrophobicContact CB-CG 4.27Å; D230-K287 PolarHBondContact O-NZ 3.33Å; D230-E554 PolarHBondContact N-OE1 2.88Å
231	G	92.6	Very high	93.3	Very high	17 Å²	17	17 Å²	17	18%	0.175	10%	0.103	C	C	.	.	S	Bend	trans	92.8	-5.9	-173.6	0	0	0	0	0	114.3	Q233 E554 E595	G231-Q233 VanDerWaalsContact C-N 3.3Å; G231-Q233 PolarHBondContact O-N 3.3Å; G231-E554 VanDerWaalsContact CA-OE1 3.26Å; G231-E554 WeakPolarHBondContact CA-OE1 3.42Å; G231-E554 PolarHBondContact N-OE1 3.01Å; G231-E595 PolarHBondContact O-N 2.81Å
232	S	93.1	Very high	93.6	Very high	4 Å²	4	15.5 Å²	15.5	3%	0.028	10%	0.096	C	C	.	.	S	Bend	trans	-79.1	-11.5	-174.8	71.1	0	0	0	0	114.8	D230 R234 E554 E595	D230-S232 VanDerWaalsContact CG-OG 3.25Å; D230-S232 WeakPolarHBondContact OD1-CB 3.01Å; D230-S232 PolarHBondContact OD1-N 3.12Å; D230-S232 PolarHBondContact OD1-OG 3.26Å; D230-S232 PolarHBondContact OD2-OG 2.64Å; S232-R234 PolarHBondContact O-N 3.06Å; S232-R234 WeakPolarHBondContact OG-CG 3.48Å; S232-R234 PolarHBondContact OG-N 3.11Å; S232-R234 PolarHBondContact OG-NE 3.47Å; S232-E554 PolarHBondContact N-OE2 3.01Å; S232-E595 WeakPolarHBondContact CA-O 3.28Å; S232-E595 VanDerWaalsContact CB-O 3.29Å; S232-E595 WeakPolarHBondContact CB-O 3.1Å
233	Q	93.4	Very high	93.8	Very high	39 Å²	39	16.3 Å²	16.3	18%	0.182	10%	0.101	C	C	.	.			trans	54.1	23.1	-176.2	-55.6	177.8	23.2	0	0	112.8	G231 H249 E554 R592	G231-Q233 VanDerWaalsContact C-N 3.3Å; G231-Q233 PolarHBondContact O-N 3.3Å; Q233-H249 HydrophobicContact CB-CB 4.25Å; Q233-E554 VanDerWaalsContact CA-OE2 3.24Å; Q233-E554 WeakPolarHBondContact CA-OE2 3.49Å; Q233-E554 PolarHBondContact N-OE2 2.9Å; Q233-R592 PolarHBondContact NE2-O 3.4Å
234	R	94.8	Very high	94	Very high	6 Å²	6	14.4 Å²	14.4	2%	0.023	9%	0.089	C	C	.	.			trans	-72.3	139.2	173.5	-70.5	-179.1	-62	161.6	4.4	110.1	D230 S232 F236 I246 L247 P324 N325 P597	D230-R234 IonicContact OD2-CZ 3.78Å; D230-R234 IonicContact OD2-NE 3.97Å; D230-R234 IonicContact OD2-NH2 2.79Å; D230-R234 PolarHBondContact OD2-NH2 3.31Å; S232-R234 PolarHBondContact O-N 3.06Å; S232-R234 WeakPolarHBondContact OG-CG 3.48Å; S232-R234 PolarHBondContact OG-N 3.11Å; S232-R234 PolarHBondContact OG-NE 3.47Å; R234-F236 HydrophobicContact CB-CE2 3.89Å; R234-F236 HydrophobicContact CB-CZ 4.17Å; R234-I246 HydrophobicContact CB-CG2 4.13Å; R234-I246 HydrophobicContact CG-CG2 4.17Å; R234-L247 WeakPolarHBondContact CA-O 3.42Å; R234-P324 PolarHBondContact NH1-O 3.06Å; R234-N325 PolarHBondContact NH1-OD1 2.76Å; R234-P597 VanDerWaalsContact CZ-CB 3.42Å
235	L	95.9	Very high	94.2	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.016	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	132.5	174.8	-77.6	177.2	0	0	0	109.8	V225 I246 L247 L251 D553 Y559	V225-L235 HydrophobicContact CG1-CB 4.2Å; V225-L235 HydrophobicContact CG1-CD2 3.8Å; V225-L235 HydrophobicContact CG1-CG 4.41Å; L235-I246 WeakPolarHBondContact O-CA 3.41Å; L235-L247 HydrophobicContact CB-CB 3.83Å; L235-L247 HydrophobicContact CB-CD1 4.3Å; L235-L247 PolarHBondContact N-O 3Å; L235-L247 PolarHBondContact O-N 3.07Å; L235-L251 HydrophobicContact CD1-CD2 3.96Å; L235-D553 HydrophobicContact CD1-CB 4.34Å; L235-D553 HydrophobicContact CD2-CB 3.62Å; L235-D553 HydrophobicContact CG-CB 4.23Å; L235-Y559 HydrophobicContact CD1-CE1 4.06Å; L235-Y559 HydrophobicContact CD1-CE2 4.02Å
236	F	96.6	Very high	94.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113	179.8	-62.1	-95.7	0	0	0	108.7	V225 V226 C228 R234 V244 R245 I246 F258 F282	V225-F236 WeakPolarHBondContact CA-O 3.44Å; V226-F236 HydrophobicContact CG2-CB 4.17Å; V226-F236 PolarHBondContact N-O 3.15Å; V226-F236 PolarHBondContact O-N 2.7Å; C228-F236 HydrophobicContact CB-CD2 4.31Å; C228-F236 HydrophobicContact CB-CE2 3.59Å; C228-F236 HydrophobicContact CB-CZ 4.16Å; C228-F236 VanDerWaalsContact SG-CE2 3.52Å; R234-F236 HydrophobicContact CB-CE2 3.89Å; R234-F236 HydrophobicContact CB-CZ 4.17Å; F236-V244 HydrophobicContact CB-CG1 3.95Å; F236-V244 HydrophobicContact CD1-CG1 4.19Å; F236-R245 CarbonylContact C-O 3.5Å; F236-R245 WeakPolarHBondContact CA-O 3.49Å; F236-I246 HydrophobicContact CD1-CG1 4.04Å; F236-I246 HydrophobicContact CE1-CD1 4.03Å; F236-I246 HydrophobicContact CE1-CG1 3.87Å; F236-F258 HydrophobicContact CD1-CB 4.18Å; F236-F258 AromaticContact CD1-CD1 3.74Å; F236-F258 HydrophobicContact CD1-CD1 3.74Å; F236-F258 HydrophobicContact CD1-CD2 4.36Å; F236-F258 HydrophobicContact CD1-CE1 4.15Å; F236-F258 AromaticContact CD1-CG 3.84Å; F236-F258 HydrophobicContact CD1-CG 3.84Å; F236-F258 HydrophobicContact CE1-CB 4.28Å; F236-F258 AromaticContact CE1-CD1 3.84Å; F236-F258 HydrophobicContact CE1-CD1 3.84Å; F236-F258 AromaticContact CE1-CD2 3.72Å; F236-F258 HydrophobicContact CE1-CD2 3.72Å; F236-F258 HydrophobicContact CE1-CE1 4.01Å; F236-F258 AromaticContact CE1-CE2 3.9Å; F236-F258 HydrophobicContact CE1-CE2 3.9Å; F236-F258 AromaticContact CE1-CG 3.68Å; F236-F258 HydrophobicContact CE1-CG 3.68Å; F236-F258 HydrophobicContact CE1-CZ 4.03Å; F236-F282 HydrophobicContact CB-CE2 4.22Å; F236-F282 HydrophobicContact CB-CZ 4.38Å; F236-F282 HydrophobicContact CD1-CE2 4.42Å; F236-F282 AromaticContact CD1-CZ 3.79Å; F236-F282 HydrophobicContact CD1-CZ 3.79Å; F236-F282 AromaticContact CD2-CE2 3.56Å; F236-F282 HydrophobicContact CD2-CE2 3.56Å; F236-F282 AromaticContact CD2-CZ 3.58Å; F236-F282 HydrophobicContact CD2-CZ 3.58Å; F236-F282 AromaticContact CE1-CZ 3.88Å; F236-F282 HydrophobicContact CE1-CZ 3.88Å; F236-F282 HydrophobicContact CE2-CE2 4.02Å; F236-F282 AromaticContact CE2-CZ 3.72Å; F236-F282 HydrophobicContact CE2-CZ 3.72Å; F236-F282 AromaticContact CG-CE2 3.8Å; F236-F282 HydrophobicContact CG-CE2 3.8Å; F236-F282 AromaticContact CG-CZ 3.63Å; F236-F282 HydrophobicContact CG-CZ 3.63Å; F236-F282 HydrophobicContact CZ-CE1 4.44Å; F236-F282 AromaticContact CZ-CZ 3.85Å; F236-F282 HydrophobicContact CZ-CZ 3.85Å
237	V	96	Very high	94.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	118.3	178.8	-174.3	0	0	0	0	108.7	L219 P222 V225 V244 R245 L247	L219-V237 HydrophobicContact CD1-CG1 3.94Å; L219-V237 HydrophobicContact CD2-CG1 3.94Å; P222-V237 HydrophobicContact CB-CG1 4.06Å; V225-V237 HydrophobicContact CG2-CB 4.36Å; V225-V237 HydrophobicContact CG2-CG1 4.19Å; V225-V237 HydrophobicContact CG2-CG2 3.99Å; V237-V244 CarbonylContact O-C 3.58Å; V237-V244 WeakPolarHBondContact O-CA 3.31Å; V237-R245 HydrophobicContact CB-CB 4.46Å; V237-R245 PolarHBondContact N-O 3.41Å; V237-R245 PolarHBondContact O-N 3.24Å; V237-L247 HydrophobicContact CG2-CD1 3.44Å; V237-L247 VanDerWaalsContact CG2-CD1 3.44Å; V237-L247 HydrophobicContact CG2-CG 4.29Å
238	V	95.6	Very high	94	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	113.5	179.8	-175.6	0	0	0	0	108.6	P222 V223 A224 L277 L280	P222-V238 CarbonylContact C-O 3.51Å; P222-V238 WeakPolarHBondContact CA-O 3.48Å; V223-V238 PolarHBondContact N-O 3.35Å; A224-V238 HydrophobicContact CB-CB 4.23Å; A224-V238 HydrophobicContact CB-CG2 4.21Å; A224-V238 WeakPolarHBondContact O-CB 3.45Å; A224-V238 PolarHBondContact O-N 2.79Å; V238-L277 HydrophobicContact CG1-CB 4.41Å; V238-L277 HydrophobicContact CG1-CD2 3.47Å; V238-L277 VanDerWaalsContact CG1-CD2 3.47Å; V238-L277 HydrophobicContact CG1-CG 3.55Å; V238-L280 HydrophobicContact CG2-CB 3.8Å
239	E	93.3	Very high	93.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.6	174.9	-62.7	-169.9	140.6	0	0	109.6	R220 E241 G242 I243 R245	R220-E239 HydrophobicContact CB-CB 4.48Å; R220-E239 HydrophobicContact CB-CG 4.41Å; R220-E239 PolarHBondContact N-OE1 2.81Å; R220-E239 VanDerWaalsContact O-CB 3.25Å; R220-E239 WeakPolarHBondContact O-CB 3.48Å; E239-E241 PolarHBondContact O-N 2.84Å; E239-E241 VanDerWaalsContact O-N 3.07Å; E239-G242 PolarHBondContact O-N 3.06Å; E239-I243 WeakPolarHBondContact CA-O 3.18Å; E239-I243 HydrophobicContact CB-CB 4.22Å; E239-I243 VanDerWaalsContact CB-O 3.31Å; E239-I243 WeakPolarHBondContact CB-O 3.39Å; E239-I243 PolarHBondContact N-O 2.85Å; E239-I243 PolarHBondContact O-N 2.92Å; E239-R245 IonicContact OE1-NE 2.68Å; E239-R245 PolarHBondContact OE1-NE 2.92Å; E239-R245 IonicContact OE2-CZ 3.66Å; E239-R245 IonicContact OE2-NE 2.59Å; E239-R245 PolarHBondContact OE2-NE 2.87Å; E239-R245 IonicContact OE2-NH2 3.54Å; E239-R245 PolarHBondContact OE2-NH2 2.78Å
240	R	91.1	Very high	93.3	Very high	7 Å²	7	22.4 Å²	22.4	3%	0.026	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.1	-173.4	-170.9	172.5	158.1	179.5	-6.5	114.3	Q221 V223 G242 D273 E274 R275 G276 L277	Q221-R240 HydrophobicContact CB-CB 3.91Å; Q221-R240 WeakPolarHBondContact O-CB 3.3Å; Q221-R240 PolarHBondContact O-N 3.13Å; V223-R240 HydrophobicContact CG2-CB 3.54Å; V223-R240 HydrophobicContact CG2-CG 4.13Å; R240-G242 PolarHBondContact O-N 2.85Å; R240-G242 VanDerWaalsContact O-N 3.07Å; R240-D273 PolarHBondContact NH1-O 2.04Å; R240-D273 PolarHBondContact NH2-O 3.46Å; R240-D273 IonicContact NH2-OD1 2.76Å; R240-E274 VanDerWaalsContact NH2-C 3.29Å; R240-R275 PolarHBondContact NE-O 2.75Å; R240-R275 PolarHBondContact NH2-O 2.81Å; R240-G276 WeakPolarHBondContact O-CA 3.41Å; R240-L277 PolarHBondContact O-N 2.76Å
241	E	90.3	Very high	93	Very high	60 Å²	60	23.9 Å²	23.9	28%	0.28	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-3.3	176.1	-68.2	-177.7	176.6	0	0	113.6	R220 E239 H262	R220-E241 WeakPolarHBondContact CD-OE2 3.37Å; R220-E241 IonicContact NH1-OE2 3.06Å; R220-E241 PolarHBondContact NH1-OE2 3.01Å; E239-E241 PolarHBondContact O-N 2.84Å; E239-E241 VanDerWaalsContact O-N 3.07Å; E241-H262 VanDerWaalsContact O-CA 3.29Å; E241-H262 WeakPolarHBondContact O-CA 3.35Å; E241-H262 WeakPolarHBondContact O-CB 3.39Å
242	G	93.1	Very high	92.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.9	23.8	-178.9	0	0	0	0	0	113.7	E239 R240 L261	E239-G242 PolarHBondContact O-N 3.06Å; R240-G242 PolarHBondContact O-N 2.85Å; R240-G242 VanDerWaalsContact O-N 3.07Å; G242-L261 WeakPolarHBondContact O-CA 3.42Å; G242-L261 PolarHBondContact O-N 2.87Å
243	I	94.5	Very high	92.9	Very high	18 Å²	18	31.5 Å²	31.5	9%	0.092	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.5	-177.2	-60.5	171.2	0	0	0	109.1	E239 R245 P257	E239-I243 WeakPolarHBondContact CA-O 3.18Å; E239-I243 HydrophobicContact CB-CB 4.22Å; E239-I243 VanDerWaalsContact CB-O 3.31Å; E239-I243 WeakPolarHBondContact CB-O 3.39Å; E239-I243 PolarHBondContact N-O 2.85Å; E239-I243 PolarHBondContact O-N 2.92Å; I243-R245 HydrophobicContact CG2-CG 4.24Å; I243-P257 HydrophobicContact CG2-CB 3.81Å
244	V	96.8	Very high	92.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.1	171.2	-175.3	0	0	0	0	108.9	F236 V237 P257 F258 L259 L277 L280	F236-V244 HydrophobicContact CB-CG1 3.95Å; F236-V244 HydrophobicContact CD1-CG1 4.19Å; V237-V244 CarbonylContact O-C 3.58Å; V237-V244 WeakPolarHBondContact O-CA 3.31Å; V244-P257 CarbonylContact O-C 3.54Å; V244-P257 WeakPolarHBondContact O-CA 3.45Å; V244-P257 WeakPolarHBondContact O-CB 3.29Å; V244-F258 HydrophobicContact CB-CB 4.24Å; V244-F258 HydrophobicContact CB-CD1 4.41Å; V244-F258 HydrophobicContact CG1-CB 4.12Å; V244-F258 HydrophobicContact CG1-CD1 4.03Å; V244-F258 PolarHBondContact O-N 2.97Å; V244-L259 HydrophobicContact CB-CB 4.03Å; V244-L259 HydrophobicContact CG2-CB 3.99Å; V244-L259 HydrophobicContact CG2-CD2 4.29Å; V244-L259 PolarHBondContact N-O 2.82Å; V244-L277 HydrophobicContact CG2-CD2 3.88Å; V244-L280 HydrophobicContact CG1-CD1 4.16Å; V244-L280 HydrophobicContact CG2-CD1 3.72Å
245	R	95.2	Very high	92.6	Very high	56 Å²	56	40.2 Å²	40.2	21%	0.211	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	148.8	177.4	-64.1	-176.1	-177.9	-79.5	-14.1	111.1	F236 V237 E239 I243	F236-R245 CarbonylContact C-O 3.5Å; F236-R245 WeakPolarHBondContact CA-O 3.49Å; V237-R245 HydrophobicContact CB-CB 4.46Å; V237-R245 PolarHBondContact N-O 3.41Å; V237-R245 PolarHBondContact O-N 3.24Å; E239-R245 IonicContact OE1-NE 2.68Å; E239-R245 PolarHBondContact OE1-NE 2.92Å; E239-R245 IonicContact OE2-CZ 3.66Å; E239-R245 IonicContact OE2-NE 2.59Å; E239-R245 PolarHBondContact OE2-NE 2.87Å; E239-R245 IonicContact OE2-NH2 3.54Å; E239-R245 PolarHBondContact OE2-NH2 2.78Å; I243-R245 HydrophobicContact CG2-CG 4.24Å
246	I	95.6	Very high	92.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	132	174.8	-48.8	178.7	0	0	0	109.6	R234 L235 F236 V253 I254 F258 N325	R234-I246 HydrophobicContact CB-CG2 4.13Å; R234-I246 HydrophobicContact CG-CG2 4.17Å; L235-I246 WeakPolarHBondContact O-CA 3.41Å; F236-I246 HydrophobicContact CD1-CG1 4.04Å; F236-I246 HydrophobicContact CE1-CD1 4.03Å; F236-I246 HydrophobicContact CE1-CG1 3.87Å; I246-V253 WeakPolarHBondContact O-CA 3.23Å; I246-I254 HydrophobicContact CB-CB 4.3Å; I246-I254 HydrophobicContact CB-CD1 3.86Å; I246-I254 HydrophobicContact CB-CG1 4.39Å; I246-I254 HydrophobicContact CD1-CD1 4.3Å; I246-I254 HydrophobicContact CG2-CD1 3.76Å; I246-I254 PolarHBondContact O-N 3.01Å; I246-F258 HydrophobicContact CD1-CB 3.82Å; I246-F258 HydrophobicContact CD1-CD2 3.88Å; I246-F258 HydrophobicContact CD1-CG 4.22Å; I246-F258 HydrophobicContact CG1-CB 3.64Å; I246-F258 HydrophobicContact CG1-CD2 4.48Å; I246-F258 HydrophobicContact CG1-CG 4.35Å; I246-N325 HydrophobicContact CD1-CB 3.84Å; I246-N325 WeakPolarHBondContact CD1-O 3.41Å
247	L	94.3	Very high	92.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.3	163.6	-80.7	158.5	0	0	0	107.9	L216 R234 L235 V237 L251 E252 V253 L575	L216-L247 HydrophobicContact CD2-CD1 4.37Å; L216-L247 HydrophobicContact CD2-CD2 4.14Å; R234-L247 WeakPolarHBondContact CA-O 3.42Å; L235-L247 HydrophobicContact CB-CB 3.83Å; L235-L247 HydrophobicContact CB-CD1 4.3Å; L235-L247 PolarHBondContact N-O 3Å; L235-L247 PolarHBondContact O-N 3.07Å; V237-L247 HydrophobicContact CG2-CD1 3.44Å; V237-L247 VanDerWaalsContact CG2-CD1 3.44Å; V237-L247 HydrophobicContact CG2-CG 4.29Å; L247-L251 WeakPolarHBondContact CD2-O 3.42Å; L247-E252 WeakPolarHBondContact CA-O 3.24Å; L247-V253 HydrophobicContact CD2-CG2 3.72Å; L247-V253 HydrophobicContact CG-CG2 4.36Å; L247-L575 HydrophobicContact CD1-CD2 3.62Å
248	N	91.1	Very high	92.4	Very high	49 Å²	49	47.3 Å²	47.3	26%	0.262	23%	0.229	S	C	.	.			trans	-68.1	173.4	174.8	-77.2	-21	0	0	0	111.7	N250 L251 E252 I254	N248-N250 PolarHBondContact O-N 3.49Å; N248-N250 VanDerWaalsContact O-N 3.11Å; N248-L251 WeakPolarHBondContact O-CA 3.03Å; N248-L251 PolarHBondContact O-N 2.83Å; N248-E252 PolarHBondContact N-O 2.68Å; N248-I254 WeakPolarHBondContact OD1-CD1 3.39Å
249	H	87.4	Confident	92.4	Very high	95 Å²	95	47.4 Å²	47.4	44%	0.44	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.9	175	71.2	79.9	0	0	0	113.1	Q233 L251 V594	Q233-H249 HydrophobicContact CB-CB 4.25Å; H249-L251 PolarHBondContact O-N 3.02Å; H249-V594 HydrophobicContact CB-CG1 4.06Å; H249-V594 HydrophobicContact CB-CG2 4.17Å
250	N	86.6	Confident	92.5	Very high	101 Å²	101	50.8 Å²	50.8	54%	0.54	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	2.5	173.5	-73.1	-17.2	0	0	0	113.8	N248 E252	N248-N250 PolarHBondContact O-N 3.49Å; N248-N250 VanDerWaalsContact O-N 3.11Å; N250-E252 HydrophobicContact CB-CG 4.31Å; N250-E252 PolarHBondContact O-N 2.86Å
251	L	86.8	Confident	92.7	Very high	45 Å²	45	50.6 Å²	50.6	24%	0.236	25%	0.248	C	C	.	.			trans	63.6	26.5	-175.9	-51.3	169.9	0	0	0	113.9	V215 L235 L247 N248 H249	V215-L251 HydrophobicContact CG1-CB 3.72Å; V215-L251 HydrophobicContact CG1-CD1 3.71Å; V215-L251 HydrophobicContact CG1-CD2 4.13Å; V215-L251 HydrophobicContact CG1-CG 4.05Å; V215-L251 HydrophobicContact CG2-CD1 4.27Å; L235-L251 HydrophobicContact CD1-CD2 3.96Å; L247-L251 WeakPolarHBondContact CD2-O 3.42Å; N248-L251 WeakPolarHBondContact O-CA 3.03Å; N248-L251 PolarHBondContact O-N 2.83Å; H249-L251 PolarHBondContact O-N 3.02Å
252	E	90.1	Very high	92.8	Very high	123 Å²	123	52 Å²	52	58%	0.575	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-91.7	139	172.4	-65.5	179.2	167.1	0	0	110.6	L247 N248 N250	L247-E252 WeakPolarHBondContact CA-O 3.24Å; N248-E252 PolarHBondContact N-O 2.68Å; N250-E252 HydrophobicContact CB-CG 4.31Å; N250-E252 PolarHBondContact O-N 2.86Å
253	V	92.1	Very high	92.7	Very high	58 Å²	58	60.6 Å²	60.6	35%	0.352	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-80.6	126.6	-179	179.1	0	0	0	0	110.5	L216 I246 L247	L216-V253 HydrophobicContact CD1-CG2 3.49Å; L216-V253 VanDerWaalsContact CD1-CG2 3.49Å; L216-V253 HydrophobicContact CD2-CG2 3.45Å; L216-V253 VanDerWaalsContact CD2-CG2 3.45Å; L216-V253 HydrophobicContact CG-CG2 4.11Å; I246-V253 WeakPolarHBondContact O-CA 3.23Å; L247-V253 HydrophobicContact CD2-CG2 3.72Å; L247-V253 HydrophobicContact CG-CG2 4.36Å
254	I	92.5	Very high	92.6	Very high	35 Å²	35	63.9 Å²	63.9	18%	0.179	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-74.3	133	169.1	-64.7	169.9	0	0	0	109	I246 N248 E256	I246-I254 HydrophobicContact CB-CB 4.3Å; I246-I254 HydrophobicContact CB-CD1 3.86Å; I246-I254 HydrophobicContact CB-CG1 4.39Å; I246-I254 HydrophobicContact CD1-CD1 4.3Å; I246-I254 HydrophobicContact CG2-CD1 3.76Å; I246-I254 PolarHBondContact O-N 3.01Å; N248-I254 WeakPolarHBondContact OD1-CD1 3.39Å; I254-E256 PolarHBondContact O-N 3.07Å
255	K	90.1	Very high	92.4	Very high	194 Å²	194	64.3 Å²	64.3	84%	0.843	31%	0.311	S	S	*	.	S	Bend	trans	-60.8	-42.4	-176.2	-175.3	-179.6	177.9	-175.7	0	112.6
256	E	92.8	Very high	92.1	Very high	112 Å²	112	64.5 Å²	64.5	52%	0.523	32%	0.315	S	S	.	.	S	Bend	trans	-80.4	133.5	177.6	-66.7	-177.3	176.1	0	0	110.5	I254	I254-E256 PolarHBondContact O-N 3.07Å
257	P	95.1	Very high	91.6	Very high	39 Å²	39	66.1 Å²	66.1	25%	0.253	33%	0.326	S	S	.	.			trans	-70.6	146.7	175.5	31	-34.1	0	0	0	110.5	I243 V244 L259 D260	I243-P257 HydrophobicContact CG2-CB 3.81Å; V244-P257 CarbonylContact O-C 3.54Å; V244-P257 WeakPolarHBondContact O-CA 3.45Å; V244-P257 WeakPolarHBondContact O-CB 3.29Å; P257-L259 VanDerWaalsContact C-N 3.3Å; P257-D260 HydrophobicContact CG-CB 4.1Å
258	F	96.5	Very high	90.8	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.327	C	S	.	.	S	Bend	trans	-62.2	-43.2	171.5	-178.7	-121.6	0	0	0	111.3	F236 V244 I246 F282 Y286 V292 V319 Q326 V327	F236-F258 HydrophobicContact CD1-CB 4.18Å; F236-F258 AromaticContact CD1-CD1 3.74Å; F236-F258 HydrophobicContact CD1-CD1 3.74Å; F236-F258 HydrophobicContact CD1-CD2 4.36Å; F236-F258 HydrophobicContact CD1-CE1 4.15Å; F236-F258 AromaticContact CD1-CG 3.84Å; F236-F258 HydrophobicContact CD1-CG 3.84Å; F236-F258 HydrophobicContact CE1-CB 4.28Å; F236-F258 AromaticContact CE1-CD1 3.84Å; F236-F258 HydrophobicContact CE1-CD1 3.84Å; F236-F258 AromaticContact CE1-CD2 3.72Å; F236-F258 HydrophobicContact CE1-CD2 3.72Å; F236-F258 HydrophobicContact CE1-CE1 4.01Å; F236-F258 AromaticContact CE1-CE2 3.9Å; F236-F258 HydrophobicContact CE1-CE2 3.9Å; F236-F258 AromaticContact CE1-CG 3.68Å; F236-F258 HydrophobicContact CE1-CG 3.68Å; F236-F258 HydrophobicContact CE1-CZ 4.03Å; V244-F258 HydrophobicContact CB-CB 4.24Å; V244-F258 HydrophobicContact CB-CD1 4.41Å; V244-F258 HydrophobicContact CG1-CB 4.12Å; V244-F258 HydrophobicContact CG1-CD1 4.03Å; V244-F258 PolarHBondContact O-N 2.97Å; I246-F258 HydrophobicContact CD1-CB 3.82Å; I246-F258 HydrophobicContact CD1-CD2 3.88Å; I246-F258 HydrophobicContact CD1-CG 4.22Å; I246-F258 HydrophobicContact CG1-CB 3.64Å; I246-F258 HydrophobicContact CG1-CD2 4.48Å; I246-F258 HydrophobicContact CG1-CG 4.35Å; F258-F282 AromaticContact CE1-CE1 3.9Å; F258-F282 HydrophobicContact CE1-CE1 3.9Å; F258-F282 AromaticContact CE1-CZ 3.93Å; F258-F282 HydrophobicContact CE1-CZ 3.93Å; F258-F282 AromaticContact CZ-CE1 3.91Å; F258-F282 HydrophobicContact CZ-CE1 3.91Å; F258-F282 HydrophobicContact CZ-CZ 4.27Å; F258-Y286 WeakPolarHBondContact CZ-OH 3.39Å; F258-V292 HydrophobicContact CE1-CG1 4.46Å; F258-V292 HydrophobicContact CE1-CG2 4.17Å; F258-V292 HydrophobicContact CZ-CG2 4.09Å; F258-V319 HydrophobicContact CE2-CG2 4.09Å; F258-Q326 CarbonylContact O-C 3.38Å; F258-V327 HydrophobicContact CD1-CG2 3.72Å; F258-V327 HydrophobicContact CD2-CG2 4.01Å; F258-V327 HydrophobicContact CE1-CG2 3.29Å; F258-V327 HydrophobicContact CE2-CG2 3.61Å; F258-V327 HydrophobicContact CG-CG2 4.08Å; F258-V327 HydrophobicContact CZ-CG2 3.23Å; F258-V327 PolarHBondContact O-N 2.76Å
259	L	96.2	Very high	90	Very high	3 Å²	3	70.6 Å²	70.6	2%	0.016	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	133.3	-177.9	178.2	63.1	0	0	0	108.4	V244 P257 L261 V294 V327 T329	V244-L259 HydrophobicContact CB-CB 4.03Å; V244-L259 HydrophobicContact CG2-CB 3.99Å; V244-L259 HydrophobicContact CG2-CD2 4.29Å; V244-L259 PolarHBondContact N-O 2.82Å; P257-L259 VanDerWaalsContact C-N 3.3Å; L259-L261 HydrophobicContact CD1-CD1 4.33Å; L259-L261 HydrophobicContact CD1-CD2 3.9Å; L259-L261 HydrophobicContact CD1-CG 3.9Å; L259-L261 HydrophobicContact CD2-CD1 3.78Å; L259-L261 HydrophobicContact CD2-CG 4.11Å; L259-L261 HydrophobicContact CG-CD1 4.1Å; L259-L261 HydrophobicContact CG-CD2 4.4Å; L259-L261 HydrophobicContact CG-CG 3.84Å; L259-V294 HydrophobicContact CD2-CG1 3.84Å; L259-V327 HydrophobicContact CB-CB 4.43Å; L259-V327 HydrophobicContact CB-CG2 4.37Å; L259-V327 HydrophobicContact CD1-CB 3.96Å; L259-V327 HydrophobicContact CD1-CG1 3.93Å; L259-T329 HydrophobicContact CD1-CG2 4.14Å
260	D	95.4	Very high	89.4	Confident	70 Å²	70	73.6 Å²	73.6	37%	0.374	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	106.9	176.6	-175.3	11.4	0	0	0	110.1	P257 H262	P257-D260 HydrophobicContact CG-CB 4.1Å; D260-H262 VanDerWaalsContact CG-ND1 3.26Å; D260-H262 IonicContact OD1-CE1 3.46Å; D260-H262 IonicContact OD1-CG 2.9Å; D260-H262 PolarHBondContact OD1-N 2.99Å; D260-H262 IonicContact OD1-ND1 3.13Å; D260-H262 PolarHBondContact OD1-ND1 3.04Å; D260-H262 IonicContact OD2-CE1 3.29Å; D260-H262 PolarHBondContact OD2-CE1 2.97Å; D260-H262 IonicContact OD2-ND1 3.76Å; D260-H262 PolarHBondContact OD2-ND1 3.41Å; D260-H262 VanDerWaalsContact OD2-ND1 3.13Å
261	L	94.3	Very high	88.6	Confident	4 Å²	4	72.1 Å²	72.1	2%	0.021	36%	0.359	C	S	.	.			trans	-118.4	14.8	179.8	-59.1	178.2	0	0	0	112	G242 L259 K263 L264 V265 V294 Y296 Y317 T329	G242-L261 WeakPolarHBondContact O-CA 3.42Å; G242-L261 PolarHBondContact O-N 2.87Å; L259-L261 HydrophobicContact CD1-CD1 4.33Å; L259-L261 HydrophobicContact CD1-CD2 3.9Å; L259-L261 HydrophobicContact CD1-CG 3.9Å; L259-L261 HydrophobicContact CD2-CD1 3.78Å; L259-L261 HydrophobicContact CD2-CG 4.11Å; L259-L261 HydrophobicContact CG-CD1 4.1Å; L259-L261 HydrophobicContact CG-CD2 4.4Å; L259-L261 HydrophobicContact CG-CG 3.84Å; L261-K263 PolarHBondContact O-N 2.88Å; L261-L264 HydrophobicContact CD2-CD1 4.15Å; L261-L264 PolarHBondContact O-N 3.45Å; L261-V265 HydrophobicContact CB-CG2 3.77Å; L261-V265 WeakPolarHBondContact O-CG2 3.47Å; L261-V265 PolarHBondContact O-N 3.49Å; L261-V294 HydrophobicContact CD1-CG2 4.19Å; L261-Y296 HydrophobicContact CD1-CD1 4.25Å; L261-Y296 HydrophobicContact CD1-CE1 4.13Å; L261-Y317 HydrophobicContact CD1-CE2 4.18Å; L261-Y317 HydrophobicContact CD2-CE1 4.31Å; L261-Y317 WeakPolarHBondContact CD2-OH 3.38Å; L261-T329 HydrophobicContact CD2-CG2 4.34Å
262	H	92.1	Very high	88	Confident	90 Å²	90	71.5 Å²	71.5	42%	0.417	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-22.7	-173.2	76	-88.6	0	0	0	114.7	E241 D260	E241-H262 VanDerWaalsContact O-CA 3.29Å; E241-H262 WeakPolarHBondContact O-CA 3.35Å; E241-H262 WeakPolarHBondContact O-CB 3.39Å; D260-H262 VanDerWaalsContact CG-ND1 3.26Å; D260-H262 IonicContact OD1-CE1 3.46Å; D260-H262 IonicContact OD1-CG 2.9Å; D260-H262 PolarHBondContact OD1-N 2.99Å; D260-H262 IonicContact OD1-ND1 3.13Å; D260-H262 PolarHBondContact OD1-ND1 3.04Å; D260-H262 IonicContact OD2-CE1 3.29Å; D260-H262 PolarHBondContact OD2-CE1 2.97Å; D260-H262 IonicContact OD2-ND1 3.76Å; D260-H262 PolarHBondContact OD2-ND1 3.41Å; D260-H262 VanDerWaalsContact OD2-ND1 3.13Å
263	K	91.8	Very high	87.8	Confident	180 Å²	180	66.1 Å²	66.1	78%	0.783	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-28.4	176.9	-61.5	-175.6	179.8	176.4	0	113.5	L261	L261-K263 PolarHBondContact O-N 2.88Å
264	L	91.3	Very high	87.7	Confident	86 Å²	86	66 Å²	66	45%	0.45	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-34	-179.4	-59.9	-179.6	0	0	0	110.9	L261 Q266 Y296 T298	L261-L264 HydrophobicContact CD2-CD1 4.15Å; L261-L264 PolarHBondContact O-N 3.45Å; L264-Q266 PolarHBondContact O-N 3.25Å; L264-Y296 HydrophobicContact CB-CE2 4.34Å; L264-T298 VanDerWaalsContact O-CB 3.28Å; L264-T298 WeakPolarHBondContact O-CB 3.2Å; L264-T298 PolarHBondContact O-OG1 3.47Å
265	V	92.3	Very high	87.6	Confident	9 Å²	9	65.2 Å²	65.2	6%	0.055	33%	0.329	C	S	.	.			trans	-79.2	122.9	-177	176.9	0	0	0	0	110.1	L261 S267 G276 Y296	L261-V265 HydrophobicContact CB-CG2 3.77Å; L261-V265 WeakPolarHBondContact O-CG2 3.47Å; L261-V265 PolarHBondContact O-N 3.49Å; V265-S267 PolarHBondContact O-N 2.73Å; V265-G276 VanDerWaalsContact CG1-CA 3.49Å; V265-Y296 HydrophobicContact CG2-CD2 3.67Å; V265-Y296 HydrophobicContact CG2-CE2 4.38Å; V265-Y296 HydrophobicContact CG2-CG 3.84Å
266	Q	89.2	Confident	87.7	Confident	61 Å²	61	56 Å²	56	29%	0.285	29%	0.289	S	S	.	.			trans	-86.2	107.8	167.3	-176.2	60.9	53.4	0	0	108.6	L264 R275 G276 T297 N299	L264-Q266 PolarHBondContact O-N 3.25Å; Q266-R275 CarbonylContact O-C 3.6Å; Q266-R275 WeakPolarHBondContact O-CB 3.27Å; Q266-G276 PolarHBondContact O-N 2.93Å; Q266-T297 PolarHBondContact N-O 2.89Å; Q266-T297 PolarHBondContact O-OG1 2.85Å; Q266-N299 WeakPolarHBondContact CG-OD1 3.23Å; Q266-N299 PolarHBondContact OE1-ND2 2.83Å; Q266-N299 PolarHBondContact OE1-OD1 3.21Å
267	S	85.2	Confident	87.8	Confident	33 Å²	33	50.7 Å²	50.7	23%	0.231	26%	0.264	C	S	.	.			trans	-92	151.3	175.7	56.5	0	0	0	0	112.3	V265 R275	V265-S267 PolarHBondContact O-N 2.73Å; S267-R275 WeakPolarHBondContact CA-O 3.31Å
268	G	78.6	Confident	87.8	Confident	3 Å²	3	50 Å²	50	3%	0.031	26%	0.258	C	S	.	.			trans	-84.2	135.3	175.9	0	0	0	0	0	113	D273 R275	G268-D273 VanDerWaalsContact CA-OD2 3.27Å; G268-D273 WeakPolarHBondContact CA-OD2 3.38Å; G268-R275 PolarHBondContact N-O 3.44Å
269	L	74.2	Confident	87.8	Confident	141 Å²	141	50.5 Å²	50.5	74%	0.738	26%	0.262	S	S	*	.			trans	-96.4	-18.5	179.3	-71.4	160.6	0	0	0	113.3	A568	L269-A568 VanDerWaalsContact O-CB 3.23Å; L269-A568 WeakPolarHBondContact O-CB 3.37Å
270	K	74.8	Confident	87.8	Confident	159 Å²	159	50.5 Å²	50.5	69%	0.691	26%	0.262	S	S	*	.	S	Bend	trans	-101.1	151.4	-176	-63.8	-174.8	-179.1	179.2	0	110.8	G272 D273	K270-G272 PolarHBondContact O-N 3.18Å; K270-D273 WeakPolarHBondContact O-CB 3.37Å; K270-D273 PolarHBondContact O-N 2.83Å
271	S	68.9	Low	87.8	Confident	69 Å²	69	47.6 Å²	47.6	48%	0.483	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	128.7	172.4	-178.6	0	0	0	0	110.3	D273 S566	S271-D273 VanDerWaalsContact C-N 3.33Å; S271-S566 WeakPolarHBondContact CB-OG 3.3Å; S271-S566 PolarHBondContact OG-OG 2.94Å
272	G	75.6	Confident	88	Confident	32 Å²	32	48.2 Å²	48.2	33%	0.33	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	4.2	-178.5	0	0	0	0	0	114.9	K270 K344	K270-G272 PolarHBondContact O-N 3.18Å; G272-K344 WeakPolarHBondContact O-CE 3.13Å; G272-K344 WeakPolarHBondContact O-CG 3.45Å
273	D	85.8	Confident	88.2	Confident	11 Å²	11	44.2 Å²	44.2	6%	0.059	23%	0.231	C	C	.	.			trans	-75.3	134.2	155.9	-165	-35.6	0	0	0	105.7	R240 G268 K270 S271 R275 R343	R240-D273 PolarHBondContact NH1-O 2.04Å; R240-D273 PolarHBondContact NH2-O 3.46Å; R240-D273 IonicContact NH2-OD1 2.76Å; G268-D273 VanDerWaalsContact CA-OD2 3.27Å; G268-D273 WeakPolarHBondContact CA-OD2 3.38Å; K270-D273 WeakPolarHBondContact O-CB 3.37Å; K270-D273 PolarHBondContact O-N 2.83Å; S271-D273 VanDerWaalsContact C-N 3.33Å; D273-R275 VanDerWaalsContact OD1-CB 3.26Å; D273-R275 WeakPolarHBondContact OD1-CB 3.46Å; D273-R275 VanDerWaalsContact OD1-CG 3.27Å; D273-R275 WeakPolarHBondContact OD1-CG 3.27Å; D273-R275 IonicContact OD1-CZ 2.76Å; D273-R275 PolarHBondContact OD1-N 3.43Å; D273-R275 IonicContact OD1-NE 3.25Å; D273-R275 PolarHBondContact OD1-NE 3.41Å; D273-R275 IonicContact OD1-NH2 2.89Å; D273-R275 IonicContact OD2-CZ 3.25Å; D273-R275 IonicContact OD2-NE 2.83Å; D273-R275 PolarHBondContact OD2-NE 2.03Å; D273-R275 IonicContact OD2-NH2 3.21Å; D273-R275 PolarHBondContact OD2-NH2 3.2Å; D273-R343 IonicContact OD2-NH1 2.74Å
274	E	88.3	Confident	88.3	Confident	55 Å²	55	39.6 Å²	39.6	26%	0.257	22%	0.22	S	C	.	.			trans	-102.9	-10	178.8	-78.1	159.8	-151.1	0	0	113.1	R240 L278 R343 K344 H345 L346	R240-E274 VanDerWaalsContact NH2-C 3.29Å; E274-L278 VanDerWaalsContact O-CD2 3.3Å; E274-L278 WeakPolarHBondContact O-CD2 3.26Å; E274-R343 PolarHBondContact N-O 2.74Å; E274-K344 WeakPolarHBondContact OE2-CA 3.41Å; E274-H345 PolarHBondContact OE2-N 2.88Å; E274-L346 HydrophobicContact CB-CD1 3.76Å; E274-L346 HydrophobicContact CB-CG 4.18Å; E274-L346 PolarHBondContact OE2-N 2.96Å
275	R	91.1	Very high	88.4	Confident	19 Å²	19	38.8 Å²	38.8	7%	0.072	22%	0.216	C	C	.	.			trans	-57.4	139.2	-176.8	-64.6	-178.1	-62.7	155.7	9.4	113.5	R240 Q266 S267 G268 D273 T297 H310 R343 L346	R240-R275 PolarHBondContact NE-O 2.75Å; R240-R275 PolarHBondContact NH2-O 2.81Å; Q266-R275 CarbonylContact O-C 3.6Å; Q266-R275 WeakPolarHBondContact O-CB 3.27Å; S267-R275 WeakPolarHBondContact CA-O 3.31Å; G268-R275 PolarHBondContact N-O 3.44Å; D273-R275 VanDerWaalsContact OD1-CB 3.26Å; D273-R275 WeakPolarHBondContact OD1-CB 3.46Å; D273-R275 VanDerWaalsContact OD1-CG 3.27Å; D273-R275 WeakPolarHBondContact OD1-CG 3.27Å; D273-R275 IonicContact OD1-CZ 2.76Å; D273-R275 PolarHBondContact OD1-N 3.43Å; D273-R275 IonicContact OD1-NE 3.25Å; D273-R275 PolarHBondContact OD1-NE 3.41Å; D273-R275 IonicContact OD1-NH2 2.89Å; D273-R275 IonicContact OD2-CZ 3.25Å; D273-R275 IonicContact OD2-NE 2.83Å; D273-R275 PolarHBondContact OD2-NE 2.03Å; D273-R275 IonicContact OD2-NH2 3.21Å; D273-R275 PolarHBondContact OD2-NH2 3.2Å; R275-T297 WeakPolarHBondContact CA-OG1 3.41Å; R275-T297 HydrophobicContact CB-CG2 4.37Å; R275-T297 WeakPolarHBondContact CB-OG1 3.29Å; R275-T297 HydrophobicContact CG-CG2 4.24Å; R275-H310 WeakPolarHBondContact CG-NE2 3.19Å; R275-R343 HydrophobicContact CG-CB 4.21Å; R275-R343 HydrophobicContact CG-CG 4.35Å; R275-R343 VanDerWaalsContact CZ-NE 3.33Å; R275-R343 VanDerWaalsContact NH2-CZ 3.34Å; R275-L346 HydrophobicContact CG-CD1 4.15Å
276	G	92.9	Very high	88.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	153.9	-154.9	177.6	0	0	0	0	0	110.9	R240 V265 Q266 Y296 T297	R240-G276 WeakPolarHBondContact O-CA 3.41Å; V265-G276 VanDerWaalsContact CG1-CA 3.49Å; Q266-G276 PolarHBondContact O-N 2.93Å; G276-Y296 VanDerWaalsContact O-CA 3.25Å; G276-Y296 WeakPolarHBondContact O-CA 3.35Å; G276-Y296 WeakPolarHBondContact O-CB 3.29Å; G276-T297 PolarHBondContact N-OG1 3.29Å; G276-T297 PolarHBondContact O-N 3.16Å; G276-T297 PolarHBondContact O-OG1 2.59Å
277	L	95.1	Very high	88.8	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	117.7	165	-178.1	62.1	0	0	0	108.7	V238 R240 V244 V294	V238-L277 HydrophobicContact CG1-CB 4.41Å; V238-L277 HydrophobicContact CG1-CD2 3.47Å; V238-L277 VanDerWaalsContact CG1-CD2 3.47Å; V238-L277 HydrophobicContact CG1-CG 3.55Å; R240-L277 PolarHBondContact O-N 2.76Å; V244-L277 HydrophobicContact CG2-CD2 3.88Å; L277-V294 HydrophobicContact CD1-CB 4.21Å
278	L	94.2	Very high	89.1	Confident	23 Å²	23	45.9 Å²	45.9	12%	0.12	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-52.8	-168.9	-58.8	173.3	0	0	0	111.1	E274 S295 T297 L312 L346	E274-L278 VanDerWaalsContact O-CD2 3.3Å; E274-L278 WeakPolarHBondContact O-CD2 3.26Å; L278-S295 PolarHBondContact N-O 2.79Å; L278-T297 HydrophobicContact CD1-CG2 4.27Å; L278-L312 HydrophobicContact CD1-CD1 3.58Å; L278-L312 HydrophobicContact CD1-CG 4.12Å; L278-L346 HydrophobicContact CD1-CB 4.41Å
279	S	95.8	Very high	89.8	Confident	11 Å²	11	46.5 Å²	46.5	8%	0.077	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	158.4	-176.9	-167	0	0	0	0	112.9	V294 S295 G348 L350	S279-V294 WeakPolarHBondContact O-CA 3.25Å; S279-S295 VanDerWaalsContact CB-OG 3.24Å; S279-S295 WeakPolarHBondContact CB-OG 3.37Å; S279-S295 PolarHBondContact N-O 2.84Å; S279-S295 PolarHBondContact N-OG 3.48Å; S279-S295 PolarHBondContact O-N 3.46Å; S279-S295 PolarHBondContact O-OG 3.12Å; S279-G348 WeakPolarHBondContact CB-O 3.47Å; S279-L350 PolarHBondContact OG-N 2.91Å
280	L	96.7	Very high	90.7	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132.2	173	-174.7	144.2	0	0	0	109.5	V226 V238 V244 F282 V292 Y293 V294	V226-L280 HydrophobicContact CG2-CB 4.47Å; V226-L280 HydrophobicContact CG2-CD2 3.5Å; V238-L280 HydrophobicContact CG2-CB 3.8Å; V244-L280 HydrophobicContact CG1-CD1 4.16Å; V244-L280 HydrophobicContact CG2-CD1 3.72Å; L280-F282 HydrophobicContact CD2-CD2 3.69Å; L280-F282 HydrophobicContact CD2-CE1 4.48Å; L280-F282 HydrophobicContact CD2-CE2 3.26Å; L280-F282 HydrophobicContact CD2-CG 4.48Å; L280-F282 HydrophobicContact CD2-CZ 3.71Å; L280-V292 HydrophobicContact CD1-CG1 3.99Å; L280-V292 HydrophobicContact CD2-CG1 3.98Å; L280-V292 HydrophobicContact CG-CG1 3.86Å; L280-Y293 CarbonylContact C-O 3.59Å; L280-Y293 WeakPolarHBondContact CA-O 2.99Å; L280-V294 HydrophobicContact CB-CG1 4.39Å; L280-V294 HydrophobicContact CD1-CG1 3.75Å; L280-V294 HydrophobicContact CG-CG1 4.01Å
281	A	96.8	Very high	91.7	Very high	9 Å²	9	32.3 Å²	32.3	7%	0.074	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.4	176.4	0	0	0	0	0	110.4	Y293 L350 F352	A281-Y293 PolarHBondContact N-O 2.91Å; A281-Y293 PolarHBondContact O-N 2.91Å; A281-L350 HydrophobicContact CB-CB 3.69Å; A281-F352 HydrophobicContact CB-CD2 4.13Å; A281-F352 HydrophobicContact CB-CE2 4.12Å
282	F	97.1	Very high	93.1	Very high	18 Å²	18	29 Å²	29	8%	0.079	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	143	172.9	-71.4	-83.8	0	0	0	110.2	V226 H227 C228 F236 F258 L280 Y286 V292 F352	V226-F282 HydrophobicContact CG2-CD2 4.31Å; V226-F282 HydrophobicContact CG2-CE2 3.97Å; H227-F282 WeakPolarHBondContact O-CD2 3.45Å; C228-F282 HydrophobicContact CB-CB 4.37Å; C228-F282 HydrophobicContact CB-CD1 3.58Å; C228-F282 HydrophobicContact CB-CD2 3.72Å; C228-F282 HydrophobicContact CB-CE1 3.65Å; C228-F282 HydrophobicContact CB-CE2 3.75Å; C228-F282 HydrophobicContact CB-CG 3.62Å; C228-F282 HydrophobicContact CB-CZ 3.74Å; F236-F282 HydrophobicContact CB-CE2 4.22Å; F236-F282 HydrophobicContact CB-CZ 4.38Å; F236-F282 HydrophobicContact CD1-CE2 4.42Å; F236-F282 AromaticContact CD1-CZ 3.79Å; F236-F282 HydrophobicContact CD1-CZ 3.79Å; F236-F282 AromaticContact CD2-CE2 3.56Å; F236-F282 HydrophobicContact CD2-CE2 3.56Å; F236-F282 AromaticContact CD2-CZ 3.58Å; F236-F282 HydrophobicContact CD2-CZ 3.58Å; F236-F282 AromaticContact CE1-CZ 3.88Å; F236-F282 HydrophobicContact CE1-CZ 3.88Å; F236-F282 HydrophobicContact CE2-CE2 4.02Å; F236-F282 AromaticContact CE2-CZ 3.72Å; F236-F282 HydrophobicContact CE2-CZ 3.72Å; F236-F282 AromaticContact CG-CE2 3.8Å; F236-F282 HydrophobicContact CG-CE2 3.8Å; F236-F282 AromaticContact CG-CZ 3.63Å; F236-F282 HydrophobicContact CG-CZ 3.63Å; F236-F282 HydrophobicContact CZ-CE1 4.44Å; F236-F282 AromaticContact CZ-CZ 3.85Å; F236-F282 HydrophobicContact CZ-CZ 3.85Å; F258-F282 AromaticContact CE1-CE1 3.9Å; F258-F282 HydrophobicContact CE1-CE1 3.9Å; F258-F282 AromaticContact CE1-CZ 3.93Å; F258-F282 HydrophobicContact CE1-CZ 3.93Å; F258-F282 AromaticContact CZ-CE1 3.91Å; F258-F282 HydrophobicContact CZ-CE1 3.91Å; F258-F282 HydrophobicContact CZ-CZ 4.27Å; L280-F282 HydrophobicContact CD2-CD2 3.69Å; L280-F282 HydrophobicContact CD2-CE1 4.48Å; L280-F282 HydrophobicContact CD2-CE2 3.26Å; L280-F282 HydrophobicContact CD2-CG 4.48Å; L280-F282 HydrophobicContact CD2-CZ 3.71Å; F282-Y286 HydrophobicContact CB-CG 4.48Å; F282-Y286 HydrophobicContact CD1-CD1 4.06Å; F282-Y286 AromaticContact CD1-CD2 3.64Å; F282-Y286 HydrophobicContact CD1-CD2 3.64Å; F282-Y286 HydrophobicContact CD1-CE1 4.14Å; F282-Y286 AromaticContact CD1-CE2 3.73Å; F282-Y286 HydrophobicContact CD1-CE2 3.73Å; F282-Y286 AromaticContact CD1-CG 3.8Å; F282-Y286 HydrophobicContact CD1-CG 3.8Å; F282-Y286 AromaticContact CD1-CZ 3.98Å; F282-Y286 HydrophobicContact CE1-CD2 4.28Å; F282-Y286 HydrophobicContact CE1-CE1 4.17Å; F282-Y286 AromaticContact CE1-CE2 3.9Å; F282-Y286 HydrophobicContact CE1-CE2 3.9Å; F282-Y286 AromaticContact CE1-CZ 3.83Å; F282-V292 HydrophobicContact CD1-CB 4.41Å; F282-V292 HydrophobicContact CD1-CG1 4.17Å; F282-V292 HydrophobicContact CD1-CG2 3.65Å; F282-V292 HydrophobicContact CE1-CB 4.45Å; F282-V292 HydrophobicContact CE1-CG1 4.04Å; F282-V292 HydrophobicContact CE1-CG2 3.57Å; F282-F352 WeakPolarHBondContact O-CD2 3.45Å; F282-F352 WeakPolarHBondContact O-CE2 3.39Å
283	H	96.4	Very high	94.1	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.023	14%	0.137	C	C	.	.			trans	-58.9	142.4	172.1	-162.4	-88.8	0	0	0	110.4	N285 Y286 N289 K291 Y293 D391	H283-N285 PolarHBondContact ND1-N 3.14Å; H283-N285 VanDerWaalsContact ND1-N 3.15Å; H283-N285 PolarHBondContact O-N 3.39Å; H283-Y286 VanDerWaalsContact O-CB 3.23Å; H283-Y286 WeakPolarHBondContact O-CB 3.37Å; H283-Y286 PolarHBondContact O-N 2.98Å; H283-N289 PolarHBondContact CE1-ND2 2.89Å; H283-N289 VanDerWaalsContact CG-ND2 3.34Å; H283-N289 PolarHBondContact ND1-ND2 2.77Å; H283-K291 HydrophobicContact CB-CB 3.85Å; H283-K291 WeakPolarHBondContact CB-O 3.31Å; H283-K291 PolarHBondContact N-O 2.82Å; H283-Y293 HydrophobicContact CB-CE2 4.14Å; H283-Y293 AromaticContact CD2-CE2 3.87Å; H283-D391 IonicContact CE1-OD1 3.48Å; H283-D391 PolarHBondContact CE1-OD1 2.88Å; H283-D391 VanDerWaalsContact CE1-OD1 3.31Å; H283-D391 IonicContact CE1-OD2 3.25Å; H283-D391 IonicContact NE2-OD1 3.61Å; H283-D391 PolarHBondContact NE2-OD1 3.5Å; H283-D391 VanDerWaalsContact NE2-OD1 3.14Å; H283-D391 IonicContact NE2-OD2 3.39Å
284	P	94.6	Very high	94.7	Very high	83 Å²	83	27 Å²	27	54%	0.539	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-20.7	176	-28	35.6	0	0	0	114.4	F352	P284-F352 HydrophobicContact CG-CB 3.93Å; P284-F352 HydrophobicContact CG-CD1 3.77Å; P284-F352 HydrophobicContact CG-CE1 4.43Å; P284-F352 HydrophobicContact CG-CG 3.84Å
285	N	93.7	Very high	95.1	Very high	69 Å²	69	24.4 Å²	24.4	37%	0.369	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114	27.4	179	-161	17.5	0	0	0	112.6	H283 K287 K288 N289	H283-N285 PolarHBondContact ND1-N 3.14Å; H283-N285 VanDerWaalsContact ND1-N 3.15Å; H283-N285 PolarHBondContact O-N 3.39Å; N285-K287 PolarHBondContact O-N 3Å; N285-K287 VanDerWaalsContact O-N 3.14Å; N285-K288 PolarHBondContact O-N 2.93Å; N285-K288 WeakPolarHBondContact OD1-CD 3.18Å; N285-K288 WeakPolarHBondContact OD1-CG 3.32Å; N285-N289 PolarHBondContact O-N 3Å; N285-N289 PolarHBondContact O-OD1 2.89Å; N285-N289 VanDerWaalsContact O-OD1 3.13Å
286	Y	95.1	Very high	95.4	Very high	10 Å²	10	23.8 Å²	23.8	4%	0.039	12%	0.12	C	C	.	.	H	α-helix	trans	-51.5	-37.7	-177.7	174.2	-105.2	0	0	0	112.8	C228 D230 F258 F282 H283 K288 N289 G290 K291 V292 V319	C228-Y286 HydrophobicContact CB-CD1 3.69Å; C228-Y286 HydrophobicContact CB-CE1 3.77Å; D230-Y286 HydrophobicContact CB-CD1 4.39Å; F258-Y286 WeakPolarHBondContact CZ-OH 3.39Å; F282-Y286 HydrophobicContact CB-CG 4.48Å; F282-Y286 HydrophobicContact CD1-CD1 4.06Å; F282-Y286 AromaticContact CD1-CD2 3.64Å; F282-Y286 HydrophobicContact CD1-CD2 3.64Å; F282-Y286 HydrophobicContact CD1-CE1 4.14Å; F282-Y286 AromaticContact CD1-CE2 3.73Å; F282-Y286 HydrophobicContact CD1-CE2 3.73Å; F282-Y286 AromaticContact CD1-CG 3.8Å; F282-Y286 HydrophobicContact CD1-CG 3.8Å; F282-Y286 AromaticContact CD1-CZ 3.98Å; F282-Y286 HydrophobicContact CE1-CD2 4.28Å; F282-Y286 HydrophobicContact CE1-CE1 4.17Å; F282-Y286 AromaticContact CE1-CE2 3.9Å; F282-Y286 HydrophobicContact CE1-CE2 3.9Å; F282-Y286 AromaticContact CE1-CZ 3.83Å; H283-Y286 VanDerWaalsContact O-CB 3.23Å; H283-Y286 WeakPolarHBondContact O-CB 3.37Å; H283-Y286 PolarHBondContact O-N 2.98Å; Y286-K288 PolarHBondContact O-N 2.84Å; Y286-N289 WeakPolarHBondContact CA-OD1 3.49Å; Y286-G290 VanDerWaalsContact CD2-C 3.42Å; Y286-G290 VanDerWaalsContact CE2-C 3.5Å; Y286-G290 VanDerWaalsContact O-CA 3.3Å; Y286-G290 WeakPolarHBondContact O-CA 3.25Å; Y286-G290 PolarHBondContact O-N 2.82Å; Y286-K291 WeakPolarHBondContact CD2-O 3.34Å; Y286-V292 HydrophobicContact CD2-CG2 4.01Å; Y286-V292 HydrophobicContact CE2-CG2 3.5Å; Y286-V292 VanDerWaalsContact CE2-CG2 3.5Å; Y286-V319 HydrophobicContact CE2-CB 4.32Å; Y286-V319 HydrophobicContact CE2-CG1 4.41Å
287	K	93.4	Very high	95.4	Very high	109 Å²	109	23.8 Å²	23.8	47%	0.474	12%	0.12	S	C	.	.	H	α-helix	trans	-52.3	-32	176.1	-170.4	173.5	-172.3	161.6	0	113.4	D230 N285 E595	D230-K287 HydrophobicContact CB-CB 4.11Å; D230-K287 HydrophobicContact CB-CG 4.27Å; D230-K287 PolarHBondContact O-NZ 3.33Å; N285-K287 PolarHBondContact O-N 3Å; N285-K287 VanDerWaalsContact O-N 3.14Å; K287-E595 IonicContact NZ-OE2 3.86Å; K287-E595 PolarHBondContact NZ-OE2 2.97Å
288	K	91.9	Very high	95.3	Very high	133 Å²	133	24.2 Å²	24.2	58%	0.578	12%	0.122	S	C	*	.	H	α-helix	trans	-99.7	-48.8	179.6	-63.4	-174.7	-174.7	173.1	0	112.6	N285 Y286 L600 T602	N285-K288 PolarHBondContact O-N 2.93Å; N285-K288 WeakPolarHBondContact OD1-CD 3.18Å; N285-K288 WeakPolarHBondContact OD1-CG 3.32Å; Y286-K288 PolarHBondContact O-N 2.84Å; K288-L600 WeakPolarHBondContact O-CD2 3.46Å; K288-T602 HydrophobicContact CB-CG2 4.43Å; K288-T602 WeakPolarHBondContact O-CG2 3.47Å
289	N	92.8	Very high	94.8	Very high	16 Å²	16	27 Å²	27	9%	0.086	14%	0.137	C	C	.	.	H	α-helix	trans	-92.6	-21.4	-170.7	68.7	10.6	0	0	0	113.9	H283 N285 Y286 K291 P615	H283-N289 PolarHBondContact CE1-ND2 2.89Å; H283-N289 VanDerWaalsContact CG-ND2 3.34Å; H283-N289 PolarHBondContact ND1-ND2 2.77Å; N285-N289 PolarHBondContact O-N 3Å; N285-N289 PolarHBondContact O-OD1 2.89Å; N285-N289 VanDerWaalsContact O-OD1 3.13Å; Y286-N289 WeakPolarHBondContact CA-OD1 3.49Å; N289-K291 VanDerWaalsContact C-N 3.29Å; N289-K291 HydrophobicContact CB-CG 4.02Å; N289-K291 PolarHBondContact O-N 3.26Å; N289-K291 PolarHBondContact OD1-N 2.86Å; N289-K291 VanDerWaalsContact OD1-N 3.1Å; N289-P615 WeakPolarHBondContact CB-O 3.37Å; N289-P615 PolarHBondContact ND2-O 2.87Å; N289-P615 VanDerWaalsContact ND2-O 3.11Å
290	G	94.7	Very high	93.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.			trans	70.3	21	179	0	0	0	0	0	114.9	Y286 T318 V319	Y286-G290 VanDerWaalsContact CD2-C 3.42Å; Y286-G290 VanDerWaalsContact CE2-C 3.5Å; Y286-G290 VanDerWaalsContact O-CA 3.3Å; Y286-G290 WeakPolarHBondContact O-CA 3.25Å; Y286-G290 PolarHBondContact O-N 2.82Å; G290-T318 CarbonylContact O-C 3.3Å; G290-T318 WeakPolarHBondContact O-CA 3.38Å; G290-V319 PolarHBondContact O-N 3.42Å
291	K	95.8	Very high	92.1	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.013	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.9	-173.7	-63.5	-61.2	-167.5	168.9	0	113.4	H283 Y286 N289 Y293 E316 T318 C613 P615	H283-K291 HydrophobicContact CB-CB 3.85Å; H283-K291 WeakPolarHBondContact CB-O 3.31Å; H283-K291 PolarHBondContact N-O 2.82Å; Y286-K291 WeakPolarHBondContact CD2-O 3.34Å; N289-K291 VanDerWaalsContact C-N 3.29Å; N289-K291 HydrophobicContact CB-CG 4.02Å; N289-K291 PolarHBondContact O-N 3.26Å; N289-K291 PolarHBondContact OD1-N 2.86Å; N289-K291 VanDerWaalsContact OD1-N 3.1Å; K291-Y293 HydrophobicContact CB-CE2 4.21Å; K291-E316 HydrophobicContact CD-CG 4.12Å; K291-E316 WeakPolarHBondContact CD-OE1 3.45Å; K291-E316 VanDerWaalsContact CE-OE1 3.3Å; K291-E316 WeakPolarHBondContact CE-OE1 3.48Å; K291-E316 IonicContact NZ-OE1 2.69Å; K291-E316 PolarHBondContact NZ-OE1 3.14Å; K291-T318 HydrophobicContact CD-CG2 4.41Å; K291-T318 PolarHBondContact NZ-OG1 2.7Å; K291-C613 WeakPolarHBondContact CE-O 3.35Å; K291-C613 PolarHBondContact NZ-O 2.89Å; K291-P615 HydrophobicContact CG-CB 4.34Å; K291-P615 HydrophobicContact CG-CG 4.28Å
292	V	97.1	Very high	90.4	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.6	179.9	-169.7	0	0	0	0	108.8	F258 L280 F282 Y286 V294 E316 Y317	F258-V292 HydrophobicContact CE1-CG1 4.46Å; F258-V292 HydrophobicContact CE1-CG2 4.17Å; F258-V292 HydrophobicContact CZ-CG2 4.09Å; L280-V292 HydrophobicContact CD1-CG1 3.99Å; L280-V292 HydrophobicContact CD2-CG1 3.98Å; L280-V292 HydrophobicContact CG-CG1 3.86Å; F282-V292 HydrophobicContact CD1-CB 4.41Å; F282-V292 HydrophobicContact CD1-CG1 4.17Å; F282-V292 HydrophobicContact CD1-CG2 3.65Å; F282-V292 HydrophobicContact CE1-CB 4.45Å; F282-V292 HydrophobicContact CE1-CG1 4.04Å; F282-V292 HydrophobicContact CE1-CG2 3.57Å; Y286-V292 HydrophobicContact CD2-CG2 4.01Å; Y286-V292 HydrophobicContact CE2-CG2 3.5Å; Y286-V292 VanDerWaalsContact CE2-CG2 3.5Å; V292-V294 HydrophobicContact CG1-CG1 4.48Å; V292-E316 CarbonylContact O-C 3.51Å; V292-E316 WeakPolarHBondContact O-CA 3.34Å; V292-Y317 PolarHBondContact N-O 3.03Å; V292-Y317 PolarHBondContact O-N 2.85Å
293	Y	97.9	Very high	88.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.8	179.4	-56.7	-89.9	0	0	0	109.2	L280 A281 H283 K291 V315 E316 L335 F352 L358 V390 P615	L280-Y293 CarbonylContact C-O 3.59Å; L280-Y293 WeakPolarHBondContact CA-O 2.99Å; A281-Y293 PolarHBondContact N-O 2.91Å; A281-Y293 PolarHBondContact O-N 2.91Å; H283-Y293 HydrophobicContact CB-CE2 4.14Å; H283-Y293 AromaticContact CD2-CE2 3.87Å; K291-Y293 HydrophobicContact CB-CE2 4.21Å; Y293-V315 WeakPolarHBondContact CA-O 3.28Å; Y293-E316 HydrophobicContact CD1-CB 3.82Å; Y293-E316 HydrophobicContact CD1-CG 4.06Å; Y293-E316 HydrophobicContact CE1-CB 3.61Å; Y293-E316 HydrophobicContact CE1-CG 3.52Å; Y293-E316 VanDerWaalsContact CE1-OE2 3.25Å; Y293-E316 WeakPolarHBondContact CE1-OE2 3.36Å; Y293-E316 PolarHBondContact OH-OE2 2.92Å; Y293-L335 HydrophobicContact CD1-CD1 3.57Å; Y293-L335 HydrophobicContact CE1-CD1 3.77Å; Y293-F352 AromaticContact CD2-CE2 3.66Å; Y293-F352 HydrophobicContact CD2-CE2 3.66Å; Y293-F352 AromaticContact CD2-CZ 3.65Å; Y293-F352 HydrophobicContact CD2-CZ 3.65Å; Y293-F352 AromaticContact CE2-CE2 3.95Å; Y293-F352 HydrophobicContact CE2-CE2 3.95Å; Y293-F352 AromaticContact CE2-CZ 3.52Å; Y293-F352 HydrophobicContact CE2-CZ 3.52Å; Y293-L358 HydrophobicContact CD1-CD2 4.34Å; Y293-V390 HydrophobicContact CE1-CB 4.34Å; Y293-V390 HydrophobicContact CE1-CG1 3.96Å; Y293-P615 VanDerWaalsContact OH-CG 3.31Å; Y293-P615 WeakPolarHBondContact OH-CG 3.39Å
294	V	97.7	Very high	86.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.8	-180	-61.4	0	0	0	0	110.5	L259 L261 L277 S279 L280 V292 Y296 V314 V315 Y317	L259-V294 HydrophobicContact CD2-CG1 3.84Å; L261-V294 HydrophobicContact CD1-CG2 4.19Å; L277-V294 HydrophobicContact CD1-CB 4.21Å; S279-V294 WeakPolarHBondContact O-CA 3.25Å; L280-V294 HydrophobicContact CB-CG1 4.39Å; L280-V294 HydrophobicContact CD1-CG1 3.75Å; L280-V294 HydrophobicContact CG-CG1 4.01Å; V292-V294 HydrophobicContact CG1-CG1 4.48Å; V294-Y296 HydrophobicContact CG2-CD1 3.99Å; V294-Y296 HydrophobicContact CG2-CE1 4.07Å; V294-V314 WeakPolarHBondContact O-CA 2.99Å; V294-V315 HydrophobicContact CG2-CB 4.25Å; V294-V315 PolarHBondContact N-O 3.02Å; V294-V315 PolarHBondContact O-N 3Å; V294-Y317 HydrophobicContact CG2-CD2 3.68Å; V294-Y317 HydrophobicContact CG2-CE2 3.47Å; V294-Y317 VanDerWaalsContact CG2-CE2 3.47Å
295	S	97.4	Very high	85	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.9	172.2	57.6	0	0	0	0	109.9	L278 S279 R313 G348	L278-S295 PolarHBondContact N-O 2.79Å; S279-S295 VanDerWaalsContact CB-OG 3.24Å; S279-S295 WeakPolarHBondContact CB-OG 3.37Å; S279-S295 PolarHBondContact N-O 2.84Å; S279-S295 PolarHBondContact N-OG 3.48Å; S279-S295 PolarHBondContact O-N 3.46Å; S279-S295 PolarHBondContact O-OG 3.12Å; S295-R313 VanDerWaalsContact CA-O 3.25Å; S295-R313 WeakPolarHBondContact CA-O 3.39Å; S295-G348 WeakPolarHBondContact CB-O 3.32Å; S295-G348 PolarHBondContact OG-O 3.5Å
296	Y	96.1	Very high	83.4	Confident	6 Å²	6	53.9 Å²	53.9	2%	0.024	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	156.7	179.7	64.8	-88.6	0	0	0	112.3	L261 L264 V265 G276 V294 T298 R313 V315	L261-Y296 HydrophobicContact CD1-CD1 4.25Å; L261-Y296 HydrophobicContact CD1-CE1 4.13Å; L264-Y296 HydrophobicContact CB-CE2 4.34Å; V265-Y296 HydrophobicContact CG2-CD2 3.67Å; V265-Y296 HydrophobicContact CG2-CE2 4.38Å; V265-Y296 HydrophobicContact CG2-CG 3.84Å; G276-Y296 VanDerWaalsContact O-CA 3.25Å; G276-Y296 WeakPolarHBondContact O-CA 3.35Å; G276-Y296 WeakPolarHBondContact O-CB 3.29Å; V294-Y296 HydrophobicContact CG2-CD1 3.99Å; V294-Y296 HydrophobicContact CG2-CE1 4.07Å; Y296-T298 HydrophobicContact CE2-CG2 4.27Å; Y296-R313 HydrophobicContact CE1-CB 4.43Å; Y296-R313 HydrophobicContact CE2-CB 4.5Å; Y296-R313 PolarHBondContact N-O 2.84Å; Y296-R313 PolarHBondContact O-N 3Å; Y296-V315 HydrophobicContact CE1-CB 4.23Å; Y296-V315 HydrophobicContact CE1-CG2 3.67Å
297	T	94.2	Very high	81.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	134.5	174.2	56.2	0	0	0	0	111.5	Q266 R275 G276 L278 I311 L346	Q266-T297 PolarHBondContact N-O 2.89Å; Q266-T297 PolarHBondContact O-OG1 2.85Å; R275-T297 WeakPolarHBondContact CA-OG1 3.41Å; R275-T297 HydrophobicContact CB-CG2 4.37Å; R275-T297 WeakPolarHBondContact CB-OG1 3.29Å; R275-T297 HydrophobicContact CG-CG2 4.24Å; G276-T297 PolarHBondContact N-OG1 3.29Å; G276-T297 PolarHBondContact O-N 3.16Å; G276-T297 PolarHBondContact O-OG1 2.59Å; L278-T297 HydrophobicContact CD1-CG2 4.27Å; T297-I311 CarbonylContact C-O 3.55Å; T297-I311 VanDerWaalsContact CA-O 3.32Å; T297-I311 WeakPolarHBondContact CA-O 3.33Å; T297-L346 HydrophobicContact CG2-CD1 3.85Å
298	T	91.7	Very high	79.9	Confident	10 Å²	10	58.1 Å²	58.1	6%	0.061	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157.2	175.3	179	0	0	0	0	110.5	L264 Y296 H310 I311 R313	L264-T298 VanDerWaalsContact O-CB 3.28Å; L264-T298 WeakPolarHBondContact O-CB 3.2Å; L264-T298 PolarHBondContact O-OG1 3.47Å; Y296-T298 HydrophobicContact CE2-CG2 4.27Å; T298-H310 WeakPolarHBondContact O-CA 3.46Å; T298-H310 VanDerWaalsContact O-CB 3.3Å; T298-H310 WeakPolarHBondContact O-CB 3.2Å; T298-I311 HydrophobicContact CG2-CD1 3.77Å; T298-I311 HydrophobicContact CG2-CG1 3.41Å; T298-I311 VanDerWaalsContact CG2-CG1 3.41Å; T298-I311 PolarHBondContact N-O 3.38Å; T298-I311 PolarHBondContact O-N 3.28Å; T298-R313 HydrophobicContact CG2-CG 3.92Å
299	N	83.9	Confident	78.9	Confident	81 Å²	81	52.8 Å²	52.8	43%	0.433	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	140	174.4	-64.2	-33.9	0	0	0	110.1	Q266 E301	Q266-N299 WeakPolarHBondContact CG-OD1 3.23Å; Q266-N299 PolarHBondContact OE1-ND2 2.83Å; Q266-N299 PolarHBondContact OE1-OD1 3.21Å; N299-E301 PolarHBondContact O-N 2.97Å
300	Q	71.8	Confident	78.5	Confident	49 Å²	49	52 Å²	52	23%	0.229	26%	0.261	C	S	.	.			trans	-75.3	116.6	173.3	-175.3	156.6	-26.5	0	0	109.2	R302 D309 I311	Q300-R302 VanDerWaalsContact C-N 3.28Å; Q300-R302 PolarHBondContact NE2-O 3.5Å; Q300-R302 PolarHBondContact O-N 2.88Å; Q300-D309 PolarHBondContact OE1-OD1 3.04Å; Q300-D309 VanDerWaalsContact OE1-OD1 3.11Å; Q300-D309 PolarHBondContact OE1-OD2 3.44Å; Q300-I311 HydrophobicContact CB-CG2 4.22Å; Q300-I311 HydrophobicContact CG-CG2 4.25Å
301	E	65.1	Low	78.3	Confident	180 Å²	180	52.7 Å²	52.7	84%	0.841	26%	0.264	S	S	*	.	S	Bend	trans	-77.3	-14.6	-176.6	-66.9	-176.9	174.1	0	0	113.1	N299	N299-E301 PolarHBondContact O-N 2.97Å
302	R	59.9	Low	78.2	Confident	174 Å²	174	52.6 Å²	52.6	66%	0.657	26%	0.264	S	S	*	.	S	Bend	trans	-128.5	104.1	-167.1	-153.2	-178.4	-174.4	-172.6	1.1	110.6	Q300	Q300-R302 VanDerWaalsContact C-N 3.28Å; Q300-R302 PolarHBondContact NE2-O 3.5Å; Q300-R302 PolarHBondContact O-N 2.88Å
303	W	54.6	Low	78.1	Confident	199 Å²	199	54.9 Å²	54.9	75%	0.754	27%	0.272	S	S	*	.			trans	44.4	111.4	178.6	-48.3	-66.9	0	0	0	115.3	I305	W303-I305 PolarHBondContact O-N 3.02Å
304	A	56.4	Low	78	Confident	81 Å²	81	54.9 Å²	54.9	67%	0.669	27%	0.273	S	S	*	.			trans	-65.5	117.3	176.7	0	0	0	0	0	110.3	G306 D309	A304-G306 VanDerWaalsContact C-N 3.34Å; A304-D309 VanDerWaalsContact CA-OD2 3.3Å; A304-D309 WeakPolarHBondContact CA-OD2 3.37Å; A304-D309 HydrophobicContact CB-CB 4.33Å
305	I	63.9	Low	78	Confident	65 Å²	65	54.9 Å²	54.9	33%	0.333	27%	0.273	S	S	.	.	S	Bend	trans	-77.2	-28.8	176.2	-63.2	167.8	0	0	0	109.3	W303 D309 M375	W303-I305 PolarHBondContact O-N 3.02Å; I305-D309 PolarHBondContact N-OD2 2.93Å; I305-M375 HydrophobicContact CG2-CE 3.37Å; I305-M375 HydrophobicContact CG2-SD 4.41Å; I305-M375 WeakPolarHBondContact O-CE 3.17Å
306	G	60	Low	78	Confident	16 Å²	16	55.2 Å²	55.2	17%	0.165	27%	0.274	C	S	.	.	S	Bend	trans	-145.2	177.9	178.9	0	0	0	0	0	115.8	A304 H308	A304-G306 VanDerWaalsContact C-N 3.34Å; G306-H308 PolarHBondContact O-N 2.57Å
307	P	54.4	Low	78	Confident	122 Å²	122	55 Å²	55	79%	0.792	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.2	-173.8	26.2	-33.2	0	0	0	115.2
308	H	60.4	Low	78.1	Confident	85 Å²	85	56 Å²	56	39%	0.394	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125	26.6	-179.9	-57.9	95.5	0	0	0	113	G306 H310 L341 R343	G306-H308 PolarHBondContact O-N 2.57Å; H308-H310 PolarHBondContact O-N 3.28Å; H308-H310 PolarHBondContact O-ND1 2.82Å; H308-L341 WeakPolarHBondContact CB-O 3.37Å; H308-R343 HydrophobicContact CB-CG 4.47Å
309	D	70.1	Confident	78.3	Confident	21 Å²	21	55.9 Å²	55.9	11%	0.112	28%	0.279	C	S	.	.			trans	-61.6	126.8	-166.3	-154.7	11.6	0	0	0	113.2	Q300 A304 I305	Q300-D309 PolarHBondContact OE1-OD1 3.04Å; Q300-D309 VanDerWaalsContact OE1-OD1 3.11Å; Q300-D309 PolarHBondContact OE1-OD2 3.44Å; A304-D309 VanDerWaalsContact CA-OD2 3.3Å; A304-D309 WeakPolarHBondContact CA-OD2 3.37Å; A304-D309 HydrophobicContact CB-CB 4.33Å; I305-D309 PolarHBondContact N-OD2 2.93Å
310	H	85.6	Confident	78.8	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	163.8	170.8	60.2	-73	0	0	0	108.4	R275 T298 H308 E340 H342	R275-H310 WeakPolarHBondContact CG-NE2 3.19Å; T298-H310 WeakPolarHBondContact O-CA 3.46Å; T298-H310 VanDerWaalsContact O-CB 3.3Å; T298-H310 WeakPolarHBondContact O-CB 3.2Å; H308-H310 PolarHBondContact O-N 3.28Å; H308-H310 PolarHBondContact O-ND1 2.82Å; H310-E340 PolarHBondContact N-O 3.08Å; H310-E340 WeakPolarHBondContact O-CB 3.42Å; H310-E340 PolarHBondContact O-N 2.89Å; H310-H342 PolarHBondContact CE1-O 3.42Å
311	I	90.3	Very high	79.7	Confident	15 Å²	15	55.2 Å²	55.2	8%	0.077	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.1	176.9	58.8	176.8	0	0	0	109.5	T297 T298 Q300 R313 V338	T297-I311 CarbonylContact C-O 3.55Å; T297-I311 VanDerWaalsContact CA-O 3.32Å; T297-I311 WeakPolarHBondContact CA-O 3.33Å; T298-I311 HydrophobicContact CG2-CD1 3.77Å; T298-I311 HydrophobicContact CG2-CG1 3.41Å; T298-I311 VanDerWaalsContact CG2-CG1 3.41Å; T298-I311 PolarHBondContact N-O 3.38Å; T298-I311 PolarHBondContact O-N 3.28Å; Q300-I311 HydrophobicContact CB-CG2 4.22Å; Q300-I311 HydrophobicContact CG-CG2 4.25Å; I311-R313 HydrophobicContact CD1-CG 3.99Å; I311-R313 HydrophobicContact CG1-CG 4.17Å; I311-V338 CarbonylContact C-O 3.57Å; I311-V338 VanDerWaalsContact CA-O 3.26Å; I311-V338 WeakPolarHBondContact CA-O 3.43Å
312	L	93.8	Very high	80.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	117.1	164.7	-175.9	159.8	0	0	0	107.7	L278 V314 E337 V338 E340 L346 L362	L278-L312 HydrophobicContact CD1-CD1 3.58Å; L278-L312 HydrophobicContact CD1-CG 4.12Å; L312-V314 HydrophobicContact CD2-CG2 4.06Å; L312-E337 WeakPolarHBondContact O-CA 3.44Å; L312-V338 HydrophobicContact CB-CB 4.29Å; L312-V338 PolarHBondContact N-O 3.2Å; L312-V338 PolarHBondContact O-N 3.3Å; L312-E340 HydrophobicContact CB-CG 4.17Å; L312-L346 HydrophobicContact CD1-CB 4.49Å; L312-L362 HydrophobicContact CD1-CD2 4.01Å; L312-L362 HydrophobicContact CD2-CD2 4.06Å
313	R	94.7	Very high	82.5	Confident	48 Å²	48	49.5 Å²	49.5	18%	0.181	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137	177.3	-72.3	-170.1	164.1	151.8	-2.4	110.7	S295 Y296 T298 I311 V315 M336 E337	S295-R313 VanDerWaalsContact CA-O 3.25Å; S295-R313 WeakPolarHBondContact CA-O 3.39Å; Y296-R313 HydrophobicContact CE1-CB 4.43Å; Y296-R313 HydrophobicContact CE2-CB 4.5Å; Y296-R313 PolarHBondContact N-O 2.84Å; Y296-R313 PolarHBondContact O-N 3Å; T298-R313 HydrophobicContact CG2-CG 3.92Å; I311-R313 HydrophobicContact CD1-CG 3.99Å; I311-R313 HydrophobicContact CG1-CG 4.17Å; R313-V315 HydrophobicContact CB-CG2 3.83Å; R313-M336 WeakPolarHBondContact CA-O 3.43Å; R313-E337 HydrophobicContact CG-CG 4.22Å; R313-E337 IonicContact CZ-OE1 2.92Å; R313-E337 IonicContact NE-OE1 3.13Å; R313-E337 PolarHBondContact NE-OE1 3.36Å; R313-E337 IonicContact NH2-OE1 2.87Å; R313-E337 PolarHBondContact NH2-OE1 2.76Å
314	V	96.9	Very high	84.4	Confident	1 Å²	1	41 Å²	41	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.2	163.3	-175.4	0	0	0	0	107.8	V294 L312 L335 M336 L350 I360	V294-V314 WeakPolarHBondContact O-CA 2.99Å; L312-V314 HydrophobicContact CD2-CG2 4.06Å; V314-L335 HydrophobicContact CG1-CB 4.42Å; V314-L335 HydrophobicContact CG1-CD1 4.18Å; V314-L335 WeakPolarHBondContact O-CB 3.19Å; V314-L335 PolarHBondContact O-N 2.95Å; V314-M336 HydrophobicContact CB-CB 4.3Å; V314-M336 PolarHBondContact N-O 3.02Å; V314-M336 PolarHBondContact O-N 3.42Å; V314-L350 HydrophobicContact CG1-CD1 4.23Å; V314-L350 HydrophobicContact CG1-CD2 3.91Å; V314-L350 HydrophobicContact CG2-CD2 4.31Å; V314-I360 HydrophobicContact CG1-CD1 4.25Å; V314-I360 HydrophobicContact CG2-CD1 4.31Å; V314-I360 HydrophobicContact CG2-CG2 4.1Å
315	V	96.9	Very high	86.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.5	-170.4	-172	0	0	0	0	110.4	Y293 V294 Y296 R313 Y317 A332 V334	Y293-V315 WeakPolarHBondContact CA-O 3.28Å; V294-V315 HydrophobicContact CG2-CB 4.25Å; V294-V315 PolarHBondContact N-O 3.02Å; V294-V315 PolarHBondContact O-N 3Å; Y296-V315 HydrophobicContact CE1-CB 4.23Å; Y296-V315 HydrophobicContact CE1-CG2 3.67Å; R313-V315 HydrophobicContact CB-CG2 3.83Å; V315-Y317 HydrophobicContact CB-CD2 4.34Å; V315-Y317 HydrophobicContact CB-CE2 3.79Å; V315-Y317 HydrophobicContact CG1-CD2 3.95Å; V315-Y317 HydrophobicContact CG1-CE2 3.42Å; V315-Y317 VanDerWaalsContact CG1-CE2 3.42Å; V315-A332 HydrophobicContact CG1-CB 4.14Å; V315-V334 HydrophobicContact CG2-CG2 4.32Å
316	E	96.9	Very high	87.7	Confident	6 Å²	6	40 Å²	40	3%	0.028	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.8	168	-176.3	-173	103.9	0	0	110.2	K291 V292 Y293 A332 H333 L335 P615	K291-E316 HydrophobicContact CD-CG 4.12Å; K291-E316 WeakPolarHBondContact CD-OE1 3.45Å; K291-E316 VanDerWaalsContact CE-OE1 3.3Å; K291-E316 WeakPolarHBondContact CE-OE1 3.48Å; K291-E316 IonicContact NZ-OE1 2.69Å; K291-E316 PolarHBondContact NZ-OE1 3.14Å; V292-E316 CarbonylContact O-C 3.51Å; V292-E316 WeakPolarHBondContact O-CA 3.34Å; Y293-E316 HydrophobicContact CD1-CB 3.82Å; Y293-E316 HydrophobicContact CD1-CG 4.06Å; Y293-E316 HydrophobicContact CE1-CB 3.61Å; Y293-E316 HydrophobicContact CE1-CG 3.52Å; Y293-E316 VanDerWaalsContact CE1-OE2 3.25Å; Y293-E316 WeakPolarHBondContact CE1-OE2 3.36Å; Y293-E316 PolarHBondContact OH-OE2 2.92Å; E316-A332 WeakPolarHBondContact O-CA 3.38Å; E316-H333 HydrophobicContact CB-CB 4.3Å; E316-H333 PolarHBondContact N-O 3.38Å; E316-H333 PolarHBondContact O-N 2.81Å; E316-L335 HydrophobicContact CB-CG 4.47Å; E316-P615 WeakPolarHBondContact OE2-CG 3.42Å
317	Y	96.6	Very high	89.4	Confident	3 Å²	3	39.7 Å²	39.7	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	160.7	169.8	-72.2	-90.8	0	0	0	110.5	L261 V292 V294 V315 V327 A332	L261-Y317 HydrophobicContact CD1-CE2 4.18Å; L261-Y317 HydrophobicContact CD2-CE1 4.31Å; L261-Y317 WeakPolarHBondContact CD2-OH 3.38Å; V292-Y317 PolarHBondContact N-O 3.03Å; V292-Y317 PolarHBondContact O-N 2.85Å; V294-Y317 HydrophobicContact CG2-CD2 3.68Å; V294-Y317 HydrophobicContact CG2-CE2 3.47Å; V294-Y317 VanDerWaalsContact CG2-CE2 3.47Å; V315-Y317 HydrophobicContact CB-CD2 4.34Å; V315-Y317 HydrophobicContact CB-CE2 3.79Å; V315-Y317 HydrophobicContact CG1-CD2 3.95Å; V315-Y317 HydrophobicContact CG1-CE2 3.42Å; V315-Y317 VanDerWaalsContact CG1-CE2 3.42Å; Y317-V327 HydrophobicContact CD1-CG1 4.04Å; Y317-V327 HydrophobicContact CG-CG1 4.05Å; Y317-A332 HydrophobicContact CD1-CB 4.19Å; Y317-A332 HydrophobicContact CE1-CB 3.52Å
318	T	95.6	Very high	91.3	Very high	19 Å²	19	36.5 Å²	36.5	12%	0.117	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.2	174.9	-47	0	0	0	0	110.4	G290 K291 D328 T331 L600	G290-T318 CarbonylContact O-C 3.3Å; G290-T318 WeakPolarHBondContact O-CA 3.38Å; K291-T318 HydrophobicContact CD-CG2 4.41Å; K291-T318 PolarHBondContact NZ-OG1 2.7Å; T318-D328 PolarHBondContact O-N 2.84Å; T318-D328 VanDerWaalsContact O-N 3.09Å; T318-T331 PolarHBondContact N-OG1 2.9Å; T318-T331 PolarHBondContact O-OG1 2.68Å; T318-L600 HydrophobicContact CG2-CD1 4.09Å
319	V	95.8	Very high	92.8	Very high	9 Å²	9	36 Å²	36	6%	0.055	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	145.9	173.6	71.9	0	0	0	0	110.9	F258 Y286 G290 R321 Q326 L600	F258-V319 HydrophobicContact CE2-CG2 4.09Å; Y286-V319 HydrophobicContact CE2-CB 4.32Å; Y286-V319 HydrophobicContact CE2-CG1 4.41Å; G290-V319 PolarHBondContact O-N 3.42Å; V319-R321 PolarHBondContact O-N 2.65Å; V319-Q326 WeakPolarHBondContact CG2-O 3.31Å; V319-L600 HydrophobicContact CG1-CD1 3.62Å; V319-L600 HydrophobicContact CG1-CD2 4.05Å; V319-L600 HydrophobicContact CG1-CG 3.76Å
320	S	94.5	Very high	93.9	Very high	20 Å²	20	45.6 Å²	45.6	14%	0.14	21%	0.211	C	C	.	.			trans	-60.4	133.8	-178.9	175.8	0	0	0	0	111.1	K322 N323 Q326	S320-K322 PolarHBondContact O-N 2.7Å; S320-K322 VanDerWaalsContact O-N 3.12Å; S320-K322 PolarHBondContact OG-N 3.04Å; S320-N323 WeakPolarHBondContact CB-O 3.1Å; S320-N323 PolarHBondContact O-N 3.42Å; S320-Q326 WeakPolarHBondContact CB-O 3.15Å; S320-Q326 PolarHBondContact N-O 3.41Å
321	R	90.8	Very high	94.2	Very high	95 Å²	95	47.6 Å²	47.6	36%	0.358	22%	0.223	S	C	.	.	S	Bend	trans	-65.4	-15.2	176.7	-53.6	-176.4	-178.7	176.6	7	113	V319 S605 C608	V319-R321 PolarHBondContact O-N 2.65Å; R321-S605 WeakPolarHBondContact CD-O 3.5Å; R321-S605 WeakPolarHBondContact CG-OG 3Å; R321-S605 PolarHBondContact NE-O 2.84Å; R321-S605 VanDerWaalsContact NE-O 3.08Å; R321-S605 PolarHBondContact NH1-O 3.47Å; R321-C608 VanDerWaalsContact CZ-O 3.31Å; R321-C608 PolarHBondContact NH1-O 2.76Å; R321-C608 PolarHBondContact NH2-O 2.76Å
322	K	91.6	Very high	94.4	Very high	193 Å²	193	49.2 Å²	49.2	84%	0.839	24%	0.239	S	C	*	.	S	Bend	trans	-106.1	-22.1	-177.3	-62.2	-178.8	-179.4	179.1	0	113.3	S320 L599	S320-K322 PolarHBondContact O-N 2.7Å; S320-K322 VanDerWaalsContact O-N 3.12Å; S320-K322 PolarHBondContact OG-N 3.04Å; K322-L599 VanDerWaalsContact C-CD2 3.47Å; K322-L599 WeakPolarHBondContact O-CD2 3.06Å
323	N	93.5	Very high	94.4	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.219	25%	0.25	C	C	.	.			trans	-144	114.3	-175.3	-175.8	-1.3	0	0	0	110.3	S320 N325 Q326	S320-N323 WeakPolarHBondContact CB-O 3.1Å; S320-N323 PolarHBondContact O-N 3.42Å; N323-N325 PolarHBondContact O-N 2.96Å; N323-N325 WeakPolarHBondContact OD1-CB 3.19Å; N323-N325 PolarHBondContact OD1-N 3.46Å; N323-Q326 HydrophobicContact CB-CB 4.3Å; N323-Q326 PolarHBondContact O-N 2.75Å; N323-Q326 VanDerWaalsContact O-O 3.14Å
324	P	93.3	Very high	94.3	Very high	22 Å²	22	52 Å²	52	14%	0.143	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-6.4	-178.3	34.2	-36.4	0	0	0	113.5	R234 P597	R234-P324 PolarHBondContact NH1-O 3.06Å; P324-P597 HydrophobicContact CB-CB 4.13Å; P324-P597 HydrophobicContact CG-CB 4.31Å; P324-P597 HydrophobicContact CG-CG 4.38Å
325	N	94.6	Very high	94.1	Very high	43 Å²	43	52.5 Å²	52.5	23%	0.23	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	9.8	175.9	-65.4	-39.5	0	0	0	112.8	R234 I246 N323	R234-N325 PolarHBondContact NH1-OD1 2.76Å; I246-N325 HydrophobicContact CD1-CB 3.84Å; I246-N325 WeakPolarHBondContact CD1-O 3.41Å; N323-N325 PolarHBondContact O-N 2.96Å; N323-N325 WeakPolarHBondContact OD1-CB 3.19Å; N323-N325 PolarHBondContact OD1-N 3.46Å
326	Q	95.7	Very high	93.9	Very high	82 Å²	82	53 Å²	53	38%	0.383	26%	0.263	S	S	.	.	S	Bend	trans	-144.4	138.3	-179.5	-169.1	178.4	33.3	0	0	111.6	F258 V319 S320 N323	F258-Q326 CarbonylContact O-C 3.38Å; V319-Q326 WeakPolarHBondContact CG2-O 3.31Å; S320-Q326 WeakPolarHBondContact CB-O 3.15Å; S320-Q326 PolarHBondContact N-O 3.41Å; N323-Q326 HydrophobicContact CB-CB 4.3Å; N323-Q326 PolarHBondContact O-N 2.75Å; N323-Q326 VanDerWaalsContact O-O 3.14Å
327	V	95.9	Very high	93.6	Very high	8 Å²	8	57.3 Å²	57.3	5%	0.048	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	140.4	174.5	177.5	0	0	0	0	111	F258 L259 Y317 T329	F258-V327 HydrophobicContact CD1-CG2 3.72Å; F258-V327 HydrophobicContact CD2-CG2 4.01Å; F258-V327 HydrophobicContact CE1-CG2 3.29Å; F258-V327 HydrophobicContact CE2-CG2 3.61Å; F258-V327 HydrophobicContact CG-CG2 4.08Å; F258-V327 HydrophobicContact CZ-CG2 3.23Å; F258-V327 PolarHBondContact O-N 2.76Å; L259-V327 HydrophobicContact CB-CB 4.43Å; L259-V327 HydrophobicContact CB-CG2 4.37Å; L259-V327 HydrophobicContact CD1-CB 3.96Å; L259-V327 HydrophobicContact CD1-CG1 3.93Å; Y317-V327 HydrophobicContact CD1-CG1 4.04Å; Y317-V327 HydrophobicContact CG-CG1 4.05Å; V327-T329 PolarHBondContact O-N 2.79Å
328	D	94.1	Very high	93.3	Very high	56 Å²	56	57.3 Å²	57.3	30%	0.299	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	106.1	172.2	-173.8	-6.3	0	0	0	110	T318 R330 T331	T318-D328 PolarHBondContact O-N 2.84Å; T318-D328 VanDerWaalsContact O-N 3.09Å; D328-R330 PolarHBondContact O-N 2.93Å; D328-R330 VanDerWaalsContact O-N 3.15Å; D328-R330 VanDerWaalsContact OD1-CB 3.32Å; D328-R330 WeakPolarHBondContact OD1-CB 3.15Å; D328-R330 PolarHBondContact OD1-N 3.14Å; D328-T331 HydrophobicContact CB-CG2 3.92Å; D328-T331 WeakPolarHBondContact O-CB 2.96Å; D328-T331 PolarHBondContact O-N 2.84Å; D328-T331 PolarHBondContact O-OG1 3.34Å
329	T	92.4	Very high	93	Very high	73 Å²	73	57 Å²	57	45%	0.448	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	-18.5	-178.4	53.8	0	0	0	0	113.4	L259 L261 V327 T331 A332	L259-T329 HydrophobicContact CD1-CG2 4.14Å; L261-T329 HydrophobicContact CD2-CG2 4.34Å; V327-T329 PolarHBondContact O-N 2.79Å; T329-T331 PolarHBondContact O-N 3.24Å; T329-A332 PolarHBondContact O-N 3.43Å
330	R	91.6	Very high	92.6	Very high	224 Å²	224	56.5 Å²	56.5	85%	0.845	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	-13.3	175.1	-61.9	171.3	50.5	167.7	-3.8	113.3	D328 A332	D328-R330 PolarHBondContact O-N 2.93Å; D328-R330 VanDerWaalsContact O-N 3.15Å; D328-R330 VanDerWaalsContact OD1-CB 3.32Å; D328-R330 WeakPolarHBondContact OD1-CB 3.15Å; D328-R330 PolarHBondContact OD1-N 3.14Å; R330-A332 VanDerWaalsContact C-N 3.25Å
331	T	93.2	Very high	92.2	Very high	41 Å²	41	56.1 Å²	56.1	25%	0.252	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	9.2	179.1	66.6	0	0	0	0	113	T318 D328 T329 H333	T318-T331 PolarHBondContact N-OG1 2.9Å; T318-T331 PolarHBondContact O-OG1 2.68Å; D328-T331 HydrophobicContact CB-CG2 3.92Å; D328-T331 WeakPolarHBondContact O-CB 2.96Å; D328-T331 PolarHBondContact O-N 2.84Å; D328-T331 PolarHBondContact O-OG1 3.34Å; T329-T331 PolarHBondContact O-N 3.24Å; T331-H333 PolarHBondContact O-N 2.82Å
332	A	94.2	Very high	92	Very high	50 Å²	50	55 Å²	55	41%	0.413	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	121.5	176.3	0	0	0	0	0	110.9	V315 E316 Y317 T329 R330	V315-A332 HydrophobicContact CG1-CB 4.14Å; E316-A332 WeakPolarHBondContact O-CA 3.38Å; Y317-A332 HydrophobicContact CD1-CB 4.19Å; Y317-A332 HydrophobicContact CE1-CB 3.52Å; T329-A332 PolarHBondContact O-N 3.43Å; R330-A332 VanDerWaalsContact C-N 3.25Å
333	H	92.8	Very high	91.8	Very high	49 Å²	49	49.7 Å²	49.7	23%	0.227	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	109.6	176.1	-174.6	-112.5	0	0	0	108.6	E316 T331 L335 S398	E316-H333 HydrophobicContact CB-CB 4.3Å; E316-H333 PolarHBondContact N-O 3.38Å; E316-H333 PolarHBondContact O-N 2.81Å; T331-H333 PolarHBondContact O-N 2.82Å; H333-L335 PolarHBondContact O-N 3.36Å; H333-S398 VanDerWaalsContact CE1-CB 3.46Å; H333-S398 WeakPolarHBondContact CE1-CB 3.43Å; H333-S398 PolarHBondContact CE1-OG 3.34Å; H333-S398 VanDerWaalsContact CE1-OG 3.24Å
334	V	93.6	Very high	91.5	Very high	56 Å²	56	52.3 Å²	52.3	34%	0.339	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.3	-175.3	-176.5	0	0	0	0	108.9	V315 E337 S398	V315-V334 HydrophobicContact CG2-CG2 4.32Å; V334-E337 HydrophobicContact CG1-CG 3.67Å; V334-S398 PolarHBondContact O-OG 3.41Å
335	L	93.3	Very high	91.4	Very high	13 Å²	13	53 Å²	53	7%	0.068	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-50	174.5	-64.5	-178	0	0	0	110.4	Y293 V314 E316 H333 L358 V390 Y399	Y293-L335 HydrophobicContact CD1-CD1 3.57Å; Y293-L335 HydrophobicContact CE1-CD1 3.77Å; V314-L335 HydrophobicContact CG1-CB 4.42Å; V314-L335 HydrophobicContact CG1-CD1 4.18Å; V314-L335 WeakPolarHBondContact O-CB 3.19Å; V314-L335 PolarHBondContact O-N 2.95Å; E316-L335 HydrophobicContact CB-CG 4.47Å; H333-L335 PolarHBondContact O-N 3.36Å; L335-L358 HydrophobicContact CD1-CD2 4.2Å; L335-V390 HydrophobicContact CD1-CG1 4.31Å; L335-Y399 WeakPolarHBondContact O-CE1 3.24Å
336	M	91.4	Very high	91.2	Very high	10 Å²	10	51 Å²	51	5%	0.049	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	149.3	-173.6	-64.6	177.8	176.5	0	0	111	R313 V314 I360 L386 V388 Y399 E416	R313-M336 WeakPolarHBondContact CA-O 3.43Å; V314-M336 HydrophobicContact CB-CB 4.3Å; V314-M336 PolarHBondContact N-O 3.02Å; V314-M336 PolarHBondContact O-N 3.42Å; M336-I360 HydrophobicContact CE-CD1 4.07Å; M336-I360 HydrophobicContact SD-CD1 3.44Å; M336-I360 WeakPolarHBondContact SD-CD1 3.32Å; M336-L386 HydrophobicContact CE-CD1 4.27Å; M336-L386 HydrophobicContact SD-CD1 3.67Å; M336-V388 HydrophobicContact CE-CB 4.44Å; M336-V388 HydrophobicContact CE-CG1 3.42Å; M336-V388 VanDerWaalsContact CE-CG1 3.42Å; M336-V388 HydrophobicContact CE-CG2 4.34Å; M336-Y399 HydrophobicContact CE-CD1 4.23Å; M336-Y399 HydrophobicContact CE-CE1 3.67Å; M336-Y399 HydrophobicContact CE-CE2 4.01Å; M336-Y399 HydrophobicContact CG-CE1 4.04Å; M336-E416 HydrophobicContact CE-CG 3.94Å
337	E	91.6	Very high	91	Very high	97 Å²	97	48 Å²	48	45%	0.453	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125.7	170.9	-53	-169.2	128.7	0	0	107.8	L312 R313 V334	L312-E337 WeakPolarHBondContact O-CA 3.44Å; R313-E337 HydrophobicContact CG-CG 4.22Å; R313-E337 IonicContact CZ-OE1 2.92Å; R313-E337 IonicContact NE-OE1 3.13Å; R313-E337 PolarHBondContact NE-OE1 3.36Å; R313-E337 IonicContact NH2-OE1 2.87Å; R313-E337 PolarHBondContact NH2-OE1 2.76Å; V334-E337 HydrophobicContact CG1-CG 3.67Å
338	V	90.6	Very high	90.9	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.9	179	-176.2	0	0	0	0	107	I311 L312 L362 F381 T382	I311-V338 CarbonylContact C-O 3.57Å; I311-V338 VanDerWaalsContact CA-O 3.26Å; I311-V338 WeakPolarHBondContact CA-O 3.43Å; L312-V338 HydrophobicContact CB-CB 4.29Å; L312-V338 PolarHBondContact N-O 3.2Å; L312-V338 PolarHBondContact O-N 3.3Å; V338-L362 HydrophobicContact CG2-CD1 3.95Å; V338-F381 HydrophobicContact CG2-CD2 4.26Å; V338-T382 HydrophobicContact CG1-CG2 3.77Å
339	A	88.9	Confident	91	Very high	12 Å²	12	46.6 Å²	46.6	10%	0.099	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.3	176.2	0	0	0	0	0	110.2	L378	A339-L378 HydrophobicContact CB-CD2 4.47Å
340	E	87.7	Confident	91.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	120.9	-176.2	-67.8	-72.7	-178.8	0	0	110.9	H310 L312 L346 G365	H310-E340 PolarHBondContact N-O 3.08Å; H310-E340 WeakPolarHBondContact O-CB 3.42Å; H310-E340 PolarHBondContact O-N 2.89Å; L312-E340 HydrophobicContact CB-CG 4.17Å; E340-L346 HydrophobicContact CB-CD2 4.31Å; E340-L346 HydrophobicContact CG-CD2 3.92Å; E340-G365 WeakPolarHBondContact OE2-CA 3.49Å
341	L	85.3	Confident	91.2	Very high	12 Å²	12	33.7 Å²	33.7	6%	0.063	18%	0.177	C	C	.	.	S	Bend	trans	-83.8	-28.7	177.7	-65.4	178.4	0	0	0	112.7	H308 I367 D371 M375 L378	H308-L341 WeakPolarHBondContact CB-O 3.37Å; L341-I367 HydrophobicContact CD1-CG1 4.46Å; L341-D371 HydrophobicContact CD1-CB 4.02Å; L341-M375 HydrophobicContact CD1-SD 3.74Å; L341-M375 HydrophobicContact CD2-CE 4.3Å; L341-M375 HydrophobicContact CD2-SD 4.13Å; L341-L378 HydrophobicContact CD1-CD1 4.13Å; L341-L378 HydrophobicContact CD1-CD2 4.02Å; L341-L378 HydrophobicContact CD2-CD2 4.17Å; L341-L378 HydrophobicContact CG-CD2 3.91Å
342	H	86.6	Confident	91.3	Very high	72 Å²	72	33.6 Å²	33.6	33%	0.333	17%	0.173	S	C	.	.	S	Bend	trans	-125.1	163.3	-176.4	-58.1	-76.3	0	0	0	112.4	H310 G365 M366	H310-H342 PolarHBondContact CE1-O 3.42Å; H342-G365 WeakPolarHBondContact CB-O 3.46Å; H342-G365 PolarHBondContact CD2-O 2.87Å; H342-G365 VanDerWaalsContact CD2-O 3.3Å; H342-M366 HydrophobicContact CB-CB 4.25Å
343	R	87.7	Confident	91	Very high	80 Å²	80	31.4 Å²	31.4	30%	0.302	15%	0.154	S	C	.	.	S	Bend	trans	-98.7	17	-171.1	-55.4	179.2	174	176.2	2.2	113.6	D273 E274 R275 H308	D273-R343 IonicContact OD2-NH1 2.74Å; E274-R343 PolarHBondContact N-O 2.74Å; R275-R343 HydrophobicContact CG-CB 4.21Å; R275-R343 HydrophobicContact CG-CG 4.35Å; R275-R343 VanDerWaalsContact CZ-NE 3.33Å; R275-R343 VanDerWaalsContact NH2-CZ 3.34Å; H308-R343 HydrophobicContact CB-CG 4.47Å
344	K	87.6	Confident	90.6	Very high	97 Å²	97	32.8 Å²	32.8	42%	0.422	17%	0.168	S	C	.	.	S	Bend	trans	-139.6	161.9	-172.5	-73.7	-172.6	176.2	-172.4	0	108.6	G272 E274 L346 M366	G272-K344 WeakPolarHBondContact O-CE 3.13Å; G272-K344 WeakPolarHBondContact O-CG 3.45Å; E274-K344 WeakPolarHBondContact OE2-CA 3.41Å; K344-L346 PolarHBondContact O-N 3.12Å; K344-M366 HydrophobicContact CB-SD 4.14Å; K344-M366 HydrophobicContact CD-SD 4.41Å
345	H	89.8	Confident	90.2	Very high	36 Å²	36	33.8 Å²	33.8	17%	0.167	17%	0.171	C	C	.	.	S	Bend	trans	59.4	36.2	-178.9	-61.1	-160	0	0	0	111.1	E274 G363 D364 G365 M366 H423 D424	E274-H345 PolarHBondContact OE2-N 2.88Å; H345-G363 CarbonylContact O-C 3.58Å; H345-G363 WeakPolarHBondContact O-CA 3.49Å; H345-D364 WeakPolarHBondContact CB-OD1 3.43Å; H345-D364 IonicContact CE1-OD1 3.24Å; H345-D364 IonicContact CG-OD1 3.87Å; H345-D364 IonicContact ND1-OD1 2.82Å; H345-D364 PolarHBondContact ND1-OD1 3.25Å; H345-D364 IonicContact ND1-OD2 3.46Å; H345-D364 PolarHBondContact O-N 3.22Å; H345-G365 WeakPolarHBondContact O-CA 3.25Å; H345-G365 PolarHBondContact O-N 2.97Å; H345-M366 HydrophobicContact CB-CG 4.13Å; H345-H423 WeakPolarHBondContact CB-O 3.44Å; H345-D424 HydrophobicContact CB-CB 4.43Å; H345-D424 IonicContact CD2-OD1 3.94Å; H345-D424 IonicContact CD2-OD2 2.8Å
346	L	90.9	Very high	90	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.			trans	-79.6	-39.9	-176.9	-59.2	179.2	0	0	0	111.1	E274 R275 L278 T297 L312 E340 K344 G348 G363	E274-L346 HydrophobicContact CB-CD1 3.76Å; E274-L346 HydrophobicContact CB-CG 4.18Å; E274-L346 PolarHBondContact OE2-N 2.96Å; R275-L346 HydrophobicContact CG-CD1 4.15Å; L278-L346 HydrophobicContact CD1-CB 4.41Å; T297-L346 HydrophobicContact CG2-CD1 3.85Å; L312-L346 HydrophobicContact CD1-CB 4.49Å; E340-L346 HydrophobicContact CB-CD2 4.31Å; E340-L346 HydrophobicContact CG-CD2 3.92Å; K344-L346 PolarHBondContact O-N 3.12Å; L346-G348 PolarHBondContact O-N 2.81Å; L346-G348 VanDerWaalsContact O-N 3.16Å; L346-G363 PolarHBondContact O-N 2.92Å
347	G	91.9	Very high	90	Very high	21 Å²	21	34.3 Å²	34.3	22%	0.216	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.4	-113.3	-167.5	0	0	0	0	0	111.2
348	G	93	Very high	90.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.7	14.7	178	0	0	0	0	0	114.2	S279 S295 L346 L350 I361	S279-G348 WeakPolarHBondContact CB-O 3.47Å; S295-G348 WeakPolarHBondContact CB-O 3.32Å; S295-G348 PolarHBondContact OG-O 3.5Å; L346-G348 PolarHBondContact O-N 2.81Å; L346-G348 VanDerWaalsContact O-N 3.16Å; G348-L350 PolarHBondContact O-N 2.03Å; G348-I361 WeakPolarHBondContact CA-O 3.33Å; G348-I361 PolarHBondContact N-O 3.33Å
349	Q	95.9	Very high	90.4	Very high	33 Å²	33	29.6 Å²	29.6	15%	0.154	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	130.9	178	-175.3	174.5	-9.3	0	0	111	I361 C428	Q349-I361 HydrophobicContact CB-CB 4.34Å; Q349-I361 PolarHBondContact N-O 2.9Å; Q349-I361 PolarHBondContact O-N 3.03Å; Q349-C428 PolarHBondContact NE2-O 3.28Å
350	L	96.4	Very high	90.7	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.037	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.7	174.4	-58.8	179	0	0	0	109.4	S279 A281 V314 G348 L358 I360	S279-L350 PolarHBondContact OG-N 2.91Å; A281-L350 HydrophobicContact CB-CB 3.69Å; V314-L350 HydrophobicContact CG1-CD1 4.23Å; V314-L350 HydrophobicContact CG1-CD2 3.91Å; V314-L350 HydrophobicContact CG2-CD2 4.31Å; G348-L350 PolarHBondContact O-N 2.03Å; L350-L358 HydrophobicContact CB-CD1 4.37Å; L350-I360 HydrophobicContact CD2-CB 4.21Å; L350-I360 HydrophobicContact CD2-CG1 3.75Å; L350-I360 HydrophobicContact CD2-CG2 3.94Å
351	L	93.6	Very high	91.1	Very high	20 Å²	20	29.2 Å²	29.2	11%	0.105	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	146.9	174.5	66.7	86.9	0	0	0	111.5	H359 I361 V430	L351-H359 HydrophobicContact CD1-CB 3.74Å; L351-H359 HydrophobicContact CG-CB 3.97Å; L351-H359 PolarHBondContact N-O 2.98Å; L351-H359 VanDerWaalsContact N-O 3.07Å; L351-H359 PolarHBondContact O-N 3.29Å; L351-I361 HydrophobicContact CD2-CD1 3.78Å; L351-V430 HydrophobicContact CD1-CB 4.35Å; L351-V430 HydrophobicContact CD1-CG2 3.3Å; L351-V430 HydrophobicContact CD2-CG2 3.93Å; L351-V430 HydrophobicContact CG-CG2 4.28Å
352	F	93.5	Very high	91.5	Very high	38 Å²	38	28.7 Å²	28.7	17%	0.167	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.7	169.6	-79.4	-86	0	0	0	109.7	A281 F282 P284 Y293 G356 L357 L358 V390	A281-F352 HydrophobicContact CB-CD2 4.13Å; A281-F352 HydrophobicContact CB-CE2 4.12Å; F282-F352 WeakPolarHBondContact O-CD2 3.45Å; F282-F352 WeakPolarHBondContact O-CE2 3.39Å; P284-F352 HydrophobicContact CG-CB 3.93Å; P284-F352 HydrophobicContact CG-CD1 3.77Å; P284-F352 HydrophobicContact CG-CE1 4.43Å; P284-F352 HydrophobicContact CG-CG 3.84Å; Y293-F352 AromaticContact CD2-CE2 3.66Å; Y293-F352 HydrophobicContact CD2-CE2 3.66Å; Y293-F352 AromaticContact CD2-CZ 3.65Å; Y293-F352 HydrophobicContact CD2-CZ 3.65Å; Y293-F352 AromaticContact CE2-CE2 3.95Å; Y293-F352 HydrophobicContact CE2-CE2 3.95Å; Y293-F352 AromaticContact CE2-CZ 3.52Å; Y293-F352 HydrophobicContact CE2-CZ 3.52Å; F352-G356 WeakPolarHBondContact CD1-O 3.45Å; F352-L357 WeakPolarHBondContact CA-O 3.26Å; F352-L358 HydrophobicContact CD1-CB 4.33Å; F352-L358 HydrophobicContact CD2-CD1 4.24Å; F352-L358 HydrophobicContact CE1-CB 3.87Å; F352-L358 HydrophobicContact CE1-CD1 4.36Å; F352-L358 HydrophobicContact CE2-CD1 3.88Å; F352-L358 HydrophobicContact CZ-CB 4.14Å; F352-L358 HydrophobicContact CZ-CD1 3.95Å; F352-L358 HydrophobicContact CZ-CG 4.48Å; F352-V390 HydrophobicContact CE1-CG2 3.84Å; F352-V390 HydrophobicContact CZ-CG2 4.1Å
353	S	88.1	Confident	91.8	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.028	13%	0.133	C	C	.	.			trans	-76.9	161.6	171.1	-74.4	0	0	0	0	111.1	D355 G356 L357 H359 L440	S353-D355 PolarHBondContact O-N 2.92Å; S353-D355 VanDerWaalsContact O-N 3.08Å; S353-G356 PolarHBondContact O-N 2.81Å; S353-L357 PolarHBondContact N-O 2.81Å; S353-H359 PolarHBondContact OG-CE1 3.46Å; S353-H359 PolarHBondContact OG-ND1 2.7Å; S353-H359 VanDerWaalsContact OG-ND1 3.08Å; S353-L440 WeakPolarHBondContact OG-CD2 3.36Å
354	P	85.3	Confident	91.9	Very high	79 Å²	79	22.8 Å²	22.8	51%	0.513	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-28.1	174.6	-26.4	35.2	0	0	0	113.6	G356 R432	P354-G356 PolarHBondContact O-N 3.07Å; P354-R432 HydrophobicContact CG-CB 4.38Å; P354-R432 HydrophobicContact CG-CG 4.43Å
355	D	84.5	Confident	91.9	Very high	77 Å²	77	18.2 Å²	18.2	41%	0.412	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-4.9	175.3	-58.6	-12.5	0	0	0	114.1	S353 L357 R387 L440	S353-D355 PolarHBondContact O-N 2.92Å; S353-D355 VanDerWaalsContact O-N 3.08Å; D355-L357 VanDerWaalsContact C-N 3.32Å; D355-L357 HydrophobicContact CB-CD1 4.43Å; D355-L357 HydrophobicContact CB-CG 4.45Å; D355-R387 IonicContact OD2-NH2 3.99Å; D355-R387 PolarHBondContact OD2-NH2 2.79Å; D355-L440 VanDerWaalsContact OD2-CD1 3.25Å; D355-L440 WeakPolarHBondContact OD2-CD1 3.47Å
356	G	89	Confident	91.7	Very high	15 Å²	15	19.8 Å²	19.8	16%	0.155	12%	0.115	C	C	.	.	S	Bend	trans	83.7	1.9	-176.6	0	0	0	0	0	114.9	F352 S353 P354	F352-G356 WeakPolarHBondContact CD1-O 3.45Å; S353-G356 PolarHBondContact O-N 2.81Å; P354-G356 PolarHBondContact O-N 3.07Å
357	L	92.6	Very high	91.5	Very high	19 Å²	19	20.7 Å²	20.7	10%	0.099	12%	0.119	C	C	.	.			trans	-91.1	141.2	-176.8	-63.2	173.3	0	0	0	112.4	F352 S353 D355 H359 R387 D389 P402	F352-L357 WeakPolarHBondContact CA-O 3.26Å; S353-L357 PolarHBondContact N-O 2.81Å; D355-L357 VanDerWaalsContact C-N 3.32Å; D355-L357 HydrophobicContact CB-CD1 4.43Å; D355-L357 HydrophobicContact CB-CG 4.45Å; L357-H359 PolarHBondContact O-ND1 2.92Å; L357-R387 HydrophobicContact CB-CG 4.3Å; L357-R387 VanDerWaalsContact CD1-NH2 3.33Å; L357-D389 HydrophobicContact CD2-CB 3.51Å; L357-P402 HydrophobicContact CD1-CB 3.99Å; L357-P402 HydrophobicContact CD1-CG 3.84Å; L357-P402 HydrophobicContact CD2-CG 3.93Å; L357-P402 HydrophobicContact CG-CG 4.46Å
358	L	95.5	Very high	91.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	125.6	-179.9	178.7	64.2	0	0	0	109.9	Y293 L335 L350 F352 I360 R387 V388 V390	Y293-L358 HydrophobicContact CD1-CD2 4.34Å; L335-L358 HydrophobicContact CD1-CD2 4.2Å; L350-L358 HydrophobicContact CB-CD1 4.37Å; F352-L358 HydrophobicContact CD1-CB 4.33Å; F352-L358 HydrophobicContact CD2-CD1 4.24Å; F352-L358 HydrophobicContact CE1-CB 3.87Å; F352-L358 HydrophobicContact CE1-CD1 4.36Å; F352-L358 HydrophobicContact CE2-CD1 3.88Å; F352-L358 HydrophobicContact CZ-CB 4.14Å; F352-L358 HydrophobicContact CZ-CD1 3.95Å; F352-L358 HydrophobicContact CZ-CG 4.48Å; L358-I360 HydrophobicContact CD2-CD1 4.44Å; L358-I360 HydrophobicContact CD2-CG1 4.38Å; L358-I360 HydrophobicContact CG-CG1 4.22Å; L358-R387 WeakPolarHBondContact O-CA 3.44Å; L358-V388 HydrophobicContact CB-CG2 4.05Å; L358-V388 HydrophobicContact CD2-CG2 4.15Å; L358-V388 HydrophobicContact CG-CG2 4.33Å; L358-V388 PolarHBondContact N-O 3.42Å; L358-V388 PolarHBondContact O-N 3.4Å; L358-V390 HydrophobicContact CB-CG1 4.19Å; L358-V390 HydrophobicContact CD2-CG1 3.91Å
359	H	94.6	Very high	90.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.4	171.3	-61.8	60.8	0	0	0	109.6	L351 S353 L357 I385 L386 R387	L351-H359 HydrophobicContact CD1-CB 3.74Å; L351-H359 HydrophobicContact CG-CB 3.97Å; L351-H359 PolarHBondContact N-O 2.98Å; L351-H359 VanDerWaalsContact N-O 3.07Å; L351-H359 PolarHBondContact O-N 3.29Å; S353-H359 PolarHBondContact OG-CE1 3.46Å; S353-H359 PolarHBondContact OG-ND1 2.7Å; S353-H359 VanDerWaalsContact OG-ND1 3.08Å; L357-H359 PolarHBondContact O-ND1 2.92Å; H359-I385 HydrophobicContact CB-CG2 4.41Å; H359-L386 CarbonylContact C-O 3.12Å; H359-L386 VanDerWaalsContact CA-O 3.23Å; H359-L386 WeakPolarHBondContact CA-O 3.25Å; H359-R387 WeakPolarHBondContact NE2-CD 3.34Å
360	I	96.1	Very high	90.5	Very high	1 Å²	1	32 Å²	32	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115.5	-179.7	-51.2	169	0	0	0	106.3	V314 M336 L350 L358 L362 I385 L386 V388	V314-I360 HydrophobicContact CG1-CD1 4.25Å; V314-I360 HydrophobicContact CG2-CD1 4.31Å; V314-I360 HydrophobicContact CG2-CG2 4.1Å; M336-I360 HydrophobicContact CE-CD1 4.07Å; M336-I360 HydrophobicContact SD-CD1 3.44Å; M336-I360 WeakPolarHBondContact SD-CD1 3.32Å; L350-I360 HydrophobicContact CD2-CB 4.21Å; L350-I360 HydrophobicContact CD2-CG1 3.75Å; L350-I360 HydrophobicContact CD2-CG2 3.94Å; L358-I360 HydrophobicContact CD2-CD1 4.44Å; L358-I360 HydrophobicContact CD2-CG1 4.38Å; L358-I360 HydrophobicContact CG-CG1 4.22Å; I360-L362 HydrophobicContact CG2-CD2 4.01Å; I360-L362 HydrophobicContact CG2-CG 4.14Å; I360-I385 CarbonylContact O-C 3.57Å; I360-I385 WeakPolarHBondContact O-CA 3.37Å; I360-L386 HydrophobicContact CB-CB 4.15Å; I360-L386 HydrophobicContact CB-CD1 4.47Å; I360-L386 PolarHBondContact N-O 3.06Å; I360-L386 PolarHBondContact O-N 3.04Å; I360-V388 HydrophobicContact CD1-CG2 4.33Å
361	I	94.9	Very high	90	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113	-174.6	-57.1	177.8	0	0	0	107.8	G348 Q349 L351 I385 L422 P425 C428 I442	G348-I361 WeakPolarHBondContact CA-O 3.33Å; G348-I361 PolarHBondContact N-O 3.33Å; Q349-I361 HydrophobicContact CB-CB 4.34Å; Q349-I361 PolarHBondContact N-O 2.9Å; Q349-I361 PolarHBondContact O-N 3.03Å; L351-I361 HydrophobicContact CD2-CD1 3.78Å; I361-I385 HydrophobicContact CD1-CD1 4.43Å; I361-I385 HydrophobicContact CG1-CD1 4.22Å; I361-I385 HydrophobicContact CG1-CG1 4.24Å; I361-I385 HydrophobicContact CG1-CG2 4.22Å; I361-I385 HydrophobicContact CG2-CG1 4.33Å; I361-L422 HydrophobicContact CG2-CD1 3.62Å; I361-P425 HydrophobicContact CG2-CB 4.04Å; I361-P425 HydrophobicContact CG2-CG 4.05Å; I361-C428 HydrophobicContact CD1-CB 3.45Å; I361-C428 VanDerWaalsContact CD1-CB 3.45Å; I361-C428 VanDerWaalsContact CD1-SG 3.55Å; I361-I442 HydrophobicContact CD1-CG2 4.42Å
362	L	94.4	Very high	89.6	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.8	-177.9	-59.1	172.9	0	0	0	109.6	L312 V338 I360 F381 S384 L386	L312-L362 HydrophobicContact CD1-CD2 4.01Å; L312-L362 HydrophobicContact CD2-CD2 4.06Å; V338-L362 HydrophobicContact CG2-CD1 3.95Å; I360-L362 HydrophobicContact CG2-CD2 4.01Å; I360-L362 HydrophobicContact CG2-CG 4.14Å; L362-F381 HydrophobicContact CD1-CB 3.79Å; L362-F381 WeakPolarHBondContact CD1-O 3.27Å; L362-S384 PolarHBondContact N-O 3.19Å; L362-S384 PolarHBondContact O-N 3Å; L362-L386 HydrophobicContact CD1-CD1 3.92Å; L362-L386 HydrophobicContact CD1-CG 4.28Å
363	G	92.1	Very high	89.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.			trans	-85.3	175.1	167.5	0	0	0	0	0	111	H345 L346 G365 G383 H423	H345-G363 CarbonylContact O-C 3.58Å; H345-G363 WeakPolarHBondContact O-CA 3.49Å; L346-G363 PolarHBondContact O-N 2.92Å; G363-G365 PolarHBondContact O-N 2.84Å; G363-G383 VanDerWaalsContact C-N 3.25Å; G363-G383 PolarHBondContact O-N 3.45Å; G363-H423 CarbonylContact C-O 3.55Å; G363-H423 WeakPolarHBondContact CA-O 3.42Å
364	D	89.1	Confident	89.3	Confident	29 Å²	29	50 Å²	50	16%	0.155	26%	0.263	C	S	.	.			trans	-71.9	-6.6	-177.4	65.3	14.5	0	0	0	113.9	H345 M366 I367 H423	H345-D364 WeakPolarHBondContact CB-OD1 3.43Å; H345-D364 IonicContact CE1-OD1 3.24Å; H345-D364 IonicContact CG-OD1 3.87Å; H345-D364 IonicContact ND1-OD1 2.82Å; H345-D364 PolarHBondContact ND1-OD1 3.25Å; H345-D364 IonicContact ND1-OD2 3.46Å; H345-D364 PolarHBondContact O-N 3.22Å; D364-M366 PolarHBondContact O-N 2.76Å; D364-M366 WeakPolarHBondContact OD1-CA 3.36Å; D364-M366 PolarHBondContact OD1-N 3.43Å; D364-I367 WeakPolarHBondContact O-CB 3.26Å; D364-I367 WeakPolarHBondContact O-CG1 3.3Å; D364-I367 PolarHBondContact O-N 3.16Å; D364-H423 PolarHBondContact N-O 3.41Å; D364-H423 WeakPolarHBondContact OD2-CA 3.34Å; D364-H423 IonicContact OD2-CE1 3.52Å; D364-H423 IonicContact OD2-CG 2.72Å; D364-H423 IonicContact OD2-ND1 2.94Å; D364-H423 PolarHBondContact OD2-ND1 3.47Å
365	G	87.8	Confident	89.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	16	-177	0	0	0	0	0	113.3	E340 H342 H345 G363 I367	E340-G365 WeakPolarHBondContact OE2-CA 3.49Å; H342-G365 WeakPolarHBondContact CB-O 3.46Å; H342-G365 PolarHBondContact CD2-O 2.87Å; H342-G365 VanDerWaalsContact CD2-O 3.3Å; H345-G365 WeakPolarHBondContact O-CA 3.25Å; H345-G365 PolarHBondContact O-N 2.97Å; G363-G365 PolarHBondContact O-N 2.84Å; G365-I367 PolarHBondContact O-N 3.02Å; G365-I367 VanDerWaalsContact O-N 3.16Å
366	M	86.6	Confident	88.8	Confident	70 Å²	70	52.4 Å²	52.4	35%	0.345	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	22	-164.9	-50.6	-168	81.1	0	0	114.4	H342 K344 H345 D364	H342-M366 HydrophobicContact CB-CB 4.25Å; K344-M366 HydrophobicContact CB-SD 4.14Å; K344-M366 HydrophobicContact CD-SD 4.41Å; H345-M366 HydrophobicContact CB-CG 4.13Å; D364-M366 PolarHBondContact O-N 2.76Å; D364-M366 WeakPolarHBondContact OD1-CA 3.36Å; D364-M366 PolarHBondContact OD1-N 3.43Å
367	I	86.2	Confident	88.1	Confident	19 Å²	19	54.6 Å²	54.6	10%	0.097	29%	0.293	C	S	.	.			trans	-73.3	128.2	178.4	-57.9	-177.2	0	0	0	108.1	L341 D364 G365 D371 M372 L378 T382	L341-I367 HydrophobicContact CD1-CG1 4.46Å; D364-I367 WeakPolarHBondContact O-CB 3.26Å; D364-I367 WeakPolarHBondContact O-CG1 3.3Å; D364-I367 PolarHBondContact O-N 3.16Å; G365-I367 PolarHBondContact O-N 3.02Å; G365-I367 VanDerWaalsContact O-N 3.16Å; I367-D371 HydrophobicContact CG2-CB 3.91Å; I367-M372 HydrophobicContact CG2-CG 3.75Å; I367-L378 HydrophobicContact CD1-CD2 4.41Å; I367-L378 HydrophobicContact CG2-CD1 3.99Å; I367-T382 HydrophobicContact CD1-CG2 3.89Å
368	T	86.8	Confident	87.4	Confident	56 Å²	56	54.9 Å²	54.9	34%	0.344	30%	0.295	S	S	.	.			trans	-92.5	160.6	177.4	65.3	0	0	0	0	111.3	D370 D371 M372	T368-D370 PolarHBondContact O-N 3.3Å; T368-D371 WeakPolarHBondContact CB-OD2 3.23Å; T368-D371 PolarHBondContact N-OD2 3.38Å; T368-D371 WeakPolarHBondContact O-CB 3.41Å; T368-D371 PolarHBondContact O-N 2.87Å; T368-D371 PolarHBondContact OG1-N 3.18Å; T368-D371 PolarHBondContact OG1-OD2 2.97Å; T368-M372 PolarHBondContact O-N 3.2Å; T368-M372 VanDerWaalsContact O-N 3.09Å
369	L	86.4	Confident	86.4	Confident	125 Å²	125	55.6 Å²	55.6	65%	0.654	30%	0.3	S	S	*	.	H	α-helix	trans	-57	-36.5	173.2	-71.7	166.7	0	0	0	111.5	D371 M372 E373	L369-D371 VanDerWaalsContact C-N 3.33Å; L369-D371 PolarHBondContact O-N 2.91Å; L369-M372 PolarHBondContact O-N 3.44Å; L369-E373 WeakPolarHBondContact O-CG 3.3Å; L369-E373 PolarHBondContact O-N 3.11Å
370	D	87.5	Confident	86	Confident	111 Å²	111	60.3 Å²	60.3	59%	0.594	33%	0.325	S	S	*	.	H	α-helix	trans	-60.2	-43.3	175.3	-59.2	-24	0	0	0	110.9	T368 M372 E373 E374	T368-D370 PolarHBondContact O-N 3.3Å; D370-M372 PolarHBondContact O-N 3.27Å; D370-E373 PolarHBondContact O-N 3.33Å; D370-E374 WeakPolarHBondContact O-CB 3.47Å; D370-E374 WeakPolarHBondContact O-CG 3.35Å; D370-E374 PolarHBondContact O-N 3.39Å
371	D	85.9	Confident	85.7	Confident	40 Å²	40	61.9 Å²	61.9	21%	0.214	33%	0.332	C	S	.	.	H	α-helix	trans	-63.2	-41.3	176.5	-58	-57	0	0	0	111.4	L341 I367 T368 L369 E373 E374 M375 L378	L341-D371 HydrophobicContact CD1-CB 4.02Å; I367-D371 HydrophobicContact CG2-CB 3.91Å; T368-D371 WeakPolarHBondContact CB-OD2 3.23Å; T368-D371 PolarHBondContact N-OD2 3.38Å; T368-D371 WeakPolarHBondContact O-CB 3.41Å; T368-D371 PolarHBondContact O-N 2.87Å; T368-D371 PolarHBondContact OG1-N 3.18Å; T368-D371 PolarHBondContact OG1-OD2 2.97Å; L369-D371 VanDerWaalsContact C-N 3.33Å; L369-D371 PolarHBondContact O-N 2.91Å; D371-E373 VanDerWaalsContact C-N 3.35Å; D371-E373 PolarHBondContact O-N 3.16Å; D371-E374 PolarHBondContact O-N 2.96Å; D371-M375 VanDerWaalsContact O-CB 3.25Å; D371-M375 WeakPolarHBondContact O-CB 3.43Å; D371-M375 WeakPolarHBondContact O-CG 3.49Å; D371-M375 PolarHBondContact O-N 3.41Å; D371-L378 HydrophobicContact CB-CD1 4.11Å; D371-L378 VanDerWaalsContact O-CD1 3.31Å; D371-L378 WeakPolarHBondContact O-CD1 3.49Å
372	M	85.3	Confident	85.5	Confident	74 Å²	74	62.6 Å²	62.6	37%	0.365	34%	0.336	S	S	.	.	H	α-helix	trans	-65.8	-34	178	-66.9	-175.2	72	0	0	113.1	I367 T368 L369 D370 L378	I367-M372 HydrophobicContact CG2-CG 3.75Å; T368-M372 PolarHBondContact O-N 3.2Å; T368-M372 VanDerWaalsContact O-N 3.09Å; L369-M372 PolarHBondContact O-N 3.44Å; D370-M372 PolarHBondContact O-N 3.27Å; M372-L378 HydrophobicContact CG-CD1 4.49Å
373	E	87.4	Confident	85.3	Confident	166 Å²	166	63 Å²	63	78%	0.776	34%	0.34	S	S	*	.	H	α-helix	trans	-78.5	-33.4	177.2	-71.6	-174.4	-174.7	0	0	112.6	L369 D370 D371	L369-E373 WeakPolarHBondContact O-CG 3.3Å; L369-E373 PolarHBondContact O-N 3.11Å; D370-E373 PolarHBondContact O-N 3.33Å; D371-E373 VanDerWaalsContact C-N 3.35Å; D371-E373 PolarHBondContact O-N 3.16Å
374	E	86.8	Confident	85.3	Confident	165 Å²	165	63.1 Å²	63.1	77%	0.771	34%	0.341	S	S	*	.	H	α-helix	trans	-90.7	-24.3	-175.4	-68.5	-173	175.7	0	0	114.2	D370 D371	D370-E374 WeakPolarHBondContact O-CB 3.47Å; D370-E374 WeakPolarHBondContact O-CG 3.35Å; D370-E374 PolarHBondContact O-N 3.39Å; D371-E374 PolarHBondContact O-N 2.96Å
375	M	80.9	Confident	85.5	Confident	49 Å²	49	61.8 Å²	61.8	24%	0.241	33%	0.334	C	S	.	.			trans	-116	107.9	-172.4	-51.6	-174.2	93.5	0	0	112.7	I305 L341 D371 L378	I305-M375 HydrophobicContact CG2-CE 3.37Å; I305-M375 HydrophobicContact CG2-SD 4.41Å; I305-M375 WeakPolarHBondContact O-CE 3.17Å; L341-M375 HydrophobicContact CD1-SD 3.74Å; L341-M375 HydrophobicContact CD2-CE 4.3Å; L341-M375 HydrophobicContact CD2-SD 4.13Å; D371-M375 VanDerWaalsContact O-CB 3.25Å; D371-M375 WeakPolarHBondContact O-CB 3.43Å; D371-M375 WeakPolarHBondContact O-CG 3.49Å; D371-M375 PolarHBondContact O-N 3.41Å; M375-L378 HydrophobicContact CB-CD1 3.85Å; M375-L378 HydrophobicContact CB-CG 4.03Å; M375-L378 HydrophobicContact SD-CD1 4.47Å
376	D	78.9	Confident	85.8	Confident	158 Å²	158	61.8 Å²	61.8	85%	0.845	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	139.4	170.5	-69.5	-41.4	0	0	0	111.6
377	G	74.7	Confident	86.2	Confident	62 Å²	62	58.8 Å²	58.8	64%	0.639	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	2.5	175.8	0	0	0	0	0	115
378	L	76.9	Confident	86.6	Confident	24 Å²	24	57.9 Å²	57.9	13%	0.126	32%	0.315	C	S	.	.			trans	-66	153.5	162.8	-65.9	-178.5	0	0	0	110.7	A339 L341 I367 D371 M372 M375	A339-L378 HydrophobicContact CB-CD2 4.47Å; L341-L378 HydrophobicContact CD1-CD1 4.13Å; L341-L378 HydrophobicContact CD1-CD2 4.02Å; L341-L378 HydrophobicContact CD2-CD2 4.17Å; L341-L378 HydrophobicContact CG-CD2 3.91Å; I367-L378 HydrophobicContact CD1-CD2 4.41Å; I367-L378 HydrophobicContact CG2-CD1 3.99Å; D371-L378 HydrophobicContact CB-CD1 4.11Å; D371-L378 VanDerWaalsContact O-CD1 3.31Å; D371-L378 WeakPolarHBondContact O-CD1 3.49Å; M372-L378 HydrophobicContact CG-CD1 4.49Å; M375-L378 HydrophobicContact CB-CD1 3.85Å; M375-L378 HydrophobicContact CB-CG 4.03Å; M375-L378 HydrophobicContact SD-CD1 4.47Å
379	S	75.8	Confident	87	Confident	15 Å²	15	57.1 Å²	57.1	11%	0.105	31%	0.308	C	S	.	.			trans	-95.3	125.6	-177.2	-175	0	0	0	0	110.8	F381 T382	S379-F381 PolarHBondContact O-N 2.78Å; S379-F381 VanDerWaalsContact OG-CB 3.29Å; S379-F381 WeakPolarHBondContact OG-CB 3.41Å; S379-F381 WeakPolarHBondContact OG-CD2 3.33Å; S379-F381 VanDerWaalsContact OG-CG 3.27Å; S379-F381 WeakPolarHBondContact OG-CG 3.08Å; S379-F381 PolarHBondContact OG-N 3.19Å; S379-T382 PolarHBondContact O-N 2.97Å; S379-T382 PolarHBondContact O-OG1 3.49Å
380	D	85.1	Confident	87.4	Confident	100 Å²	100	51.2 Å²	51.2	54%	0.535	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-1.3	169.4	-61.9	-25.7	0	0	0	113.1	P414	D380-P414 HydrophobicContact CB-CG 4.05Å
381	F	90.8	Very high	87.7	Confident	33 Å²	33	48.9 Å²	48.9	15%	0.145	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-16.8	-179.3	-58.5	-34.8	0	0	0	114	V338 L362 S379 S384 L386 P414 E416	V338-F381 HydrophobicContact CG2-CD2 4.26Å; L362-F381 HydrophobicContact CD1-CB 3.79Å; L362-F381 WeakPolarHBondContact CD1-O 3.27Å; S379-F381 PolarHBondContact O-N 2.78Å; S379-F381 VanDerWaalsContact OG-CB 3.29Å; S379-F381 WeakPolarHBondContact OG-CB 3.41Å; S379-F381 WeakPolarHBondContact OG-CD2 3.33Å; S379-F381 VanDerWaalsContact OG-CG 3.27Å; S379-F381 WeakPolarHBondContact OG-CG 3.08Å; S379-F381 PolarHBondContact OG-N 3.19Å; F381-S384 VanDerWaalsContact O-CB 3.3Å; F381-S384 WeakPolarHBondContact O-CB 3.37Å; F381-S384 PolarHBondContact O-N 3.3Å; F381-L386 HydrophobicContact CB-CD1 3.97Å; F381-L386 HydrophobicContact CB-CD2 4.03Å; F381-L386 HydrophobicContact CB-CG 4.49Å; F381-L386 HydrophobicContact CD1-CD1 4.17Å; F381-L386 HydrophobicContact CD1-CD2 3.79Å; F381-L386 HydrophobicContact CD2-CD1 4.25Å; F381-L386 HydrophobicContact CG-CD1 3.89Å; F381-L386 HydrophobicContact CG-CD2 4.12Å; F381-P414 HydrophobicContact CD1-CB 4.28Å; F381-P414 HydrophobicContact CE1-CB 3.75Å; F381-P414 HydrophobicContact CE1-CG 4.44Å; F381-E416 HydrophobicContact CE1-CB 4.06Å; F381-E416 HydrophobicContact CE1-CG 4.2Å; F381-E416 HydrophobicContact CZ-CG 4.34Å
382	T	90.7	Very high	87.9	Confident	18 Å²	18	47.4 Å²	47.4	11%	0.11	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	150.6	180	57.4	0	0	0	0	110.7	V338 I367 S379 S384	V338-T382 HydrophobicContact CG1-CG2 3.77Å; I367-T382 HydrophobicContact CD1-CG2 3.89Å; S379-T382 PolarHBondContact O-N 2.97Å; S379-T382 PolarHBondContact O-OG1 3.49Å; T382-S384 PolarHBondContact O-N 3.31Å; T382-S384 VanDerWaalsContact O-N 3.16Å; T382-S384 PolarHBondContact O-OG 3.16Å; T382-S384 VanDerWaalsContact O-OG 3.12Å
383	G	90	Very high	88	Confident	8 Å²	8	48 Å²	48	8%	0.082	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	19.4	-176.7	0	0	0	0	0	114.6	G363 H420 G421 L422	G363-G383 VanDerWaalsContact C-N 3.25Å; G363-G383 PolarHBondContact O-N 3.45Å; G383-H420 CarbonylContact O-C 3.54Å; G383-G421 PolarHBondContact O-N 2.8Å; G383-L422 WeakPolarHBondContact CA-O 3.31Å; G383-L422 PolarHBondContact O-N 3.13Å
384	S	91.5	Very high	88.1	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.028	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154.3	-171.2	-55.5	0	0	0	0	114	L362 F381 T382 A419 H420	L362-S384 PolarHBondContact N-O 3.19Å; L362-S384 PolarHBondContact O-N 3Å; F381-S384 VanDerWaalsContact O-CB 3.3Å; F381-S384 WeakPolarHBondContact O-CB 3.37Å; F381-S384 PolarHBondContact O-N 3.3Å; T382-S384 PolarHBondContact O-N 3.31Å; T382-S384 VanDerWaalsContact O-N 3.16Å; T382-S384 PolarHBondContact O-OG 3.16Å; T382-S384 VanDerWaalsContact O-OG 3.12Å; S384-A419 CarbonylContact C-O 3.5Å; S384-A419 WeakPolarHBondContact CA-O 3.31Å; S384-A419 WeakPolarHBondContact CB-O 3.4Å; S384-H420 VanDerWaalsContact OG-CB 3.32Å; S384-H420 WeakPolarHBondContact OG-CB 3.49Å
385	I	93.4	Very high	88.2	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.8	163.4	-55.4	-166	0	0	0	107.7	H359 I360 I361 F418 A419 L422 I442 V460	H359-I385 HydrophobicContact CB-CG2 4.41Å; I360-I385 CarbonylContact O-C 3.57Å; I360-I385 WeakPolarHBondContact O-CA 3.37Å; I361-I385 HydrophobicContact CD1-CD1 4.43Å; I361-I385 HydrophobicContact CG1-CD1 4.22Å; I361-I385 HydrophobicContact CG1-CG1 4.24Å; I361-I385 HydrophobicContact CG1-CG2 4.22Å; I361-I385 HydrophobicContact CG2-CG1 4.33Å; I385-F418 WeakPolarHBondContact O-CA 3.3Å; I385-F418 WeakPolarHBondContact O-CB 3.21Å; I385-F418 PolarHBondContact O-N 3.19Å; I385-A419 PolarHBondContact N-O 3.47Å; I385-A419 PolarHBondContact O-N 2.83Å; I385-L422 HydrophobicContact CD1-CD1 4.04Å; I385-L422 HydrophobicContact CG1-CD1 3.5Å; I385-L422 VanDerWaalsContact CG1-CD1 3.5Å; I385-L422 HydrophobicContact CG1-CG 4.48Å; I385-I442 HydrophobicContact CD1-CD1 4.3Å; I385-I442 HydrophobicContact CG2-CD1 4.43Å; I385-V460 HydrophobicContact CD1-CB 4.04Å; I385-V460 HydrophobicContact CD1-CG1 3.67Å; I385-V460 HydrophobicContact CD1-CG2 4.02Å
386	L	94.4	Very high	88.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	147.1	172.5	-45	-179.7	0	0	0	110	M336 H359 I360 L362 F381 E416 I417	M336-L386 HydrophobicContact CE-CD1 4.27Å; M336-L386 HydrophobicContact SD-CD1 3.67Å; H359-L386 CarbonylContact C-O 3.12Å; H359-L386 VanDerWaalsContact CA-O 3.23Å; H359-L386 WeakPolarHBondContact CA-O 3.25Å; I360-L386 HydrophobicContact CB-CB 4.15Å; I360-L386 HydrophobicContact CB-CD1 4.47Å; I360-L386 PolarHBondContact N-O 3.06Å; I360-L386 PolarHBondContact O-N 3.04Å; L362-L386 HydrophobicContact CD1-CD1 3.92Å; L362-L386 HydrophobicContact CD1-CG 4.28Å; F381-L386 HydrophobicContact CB-CD1 3.97Å; F381-L386 HydrophobicContact CB-CD2 4.03Å; F381-L386 HydrophobicContact CB-CG 4.49Å; F381-L386 HydrophobicContact CD1-CD1 4.17Å; F381-L386 HydrophobicContact CD1-CD2 3.79Å; F381-L386 HydrophobicContact CD2-CD1 4.25Å; F381-L386 HydrophobicContact CG-CD1 3.89Å; F381-L386 HydrophobicContact CG-CD2 4.12Å; L386-E416 CarbonylContact C-O 3.58Å; L386-E416 VanDerWaalsContact CA-O 3.3Å; L386-E416 WeakPolarHBondContact CA-O 3.48Å; L386-E416 HydrophobicContact CB-CB 4.37Å; L386-E416 HydrophobicContact CD2-CB 4.17Å; L386-I417 HydrophobicContact CD2-CG1 3.85Å
387	R	93.9	Very high	88.9	Confident	7 Å²	7	38.2 Å²	38.2	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	117.4	173.7	-175.9	-176.7	-176	-175.2	10.1	110.1	D355 L357 L358 H359 P402 N404 N405 E416 F418	D355-R387 IonicContact OD2-NH2 3.99Å; D355-R387 PolarHBondContact OD2-NH2 2.79Å; L357-R387 HydrophobicContact CB-CG 4.3Å; L357-R387 VanDerWaalsContact CD1-NH2 3.33Å; L358-R387 WeakPolarHBondContact O-CA 3.44Å; H359-R387 WeakPolarHBondContact NE2-CD 3.34Å; R387-P402 HydrophobicContact CG-CG 4.3Å; R387-N404 PolarHBondContact NH1-ND2 3.34Å; R387-N404 VanDerWaalsContact NH1-ND2 3.18Å; R387-N404 PolarHBondContact NH1-OD1 3.03Å; R387-N404 PolarHBondContact NH2-ND2 3.32Å; R387-N405 WeakPolarHBondContact CD-OD1 3.5Å; R387-N405 PolarHBondContact O-ND2 2.94Å; R387-E416 PolarHBondContact N-O 3.12Å; R387-F418 HydrophobicContact CB-CB 3.79Å; R387-F418 HydrophobicContact CB-CD2 4.28Å; R387-F418 HydrophobicContact CB-CG 4.25Å
388	V	95.1	Very high	89.6	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	154.6	-177.9	-63.8	0	0	0	0	112.5	M336 L358 I360 Y399 E416	M336-V388 HydrophobicContact CE-CB 4.44Å; M336-V388 HydrophobicContact CE-CG1 3.42Å; M336-V388 VanDerWaalsContact CE-CG1 3.42Å; M336-V388 HydrophobicContact CE-CG2 4.34Å; L358-V388 HydrophobicContact CB-CG2 4.05Å; L358-V388 HydrophobicContact CD2-CG2 4.15Å; L358-V388 HydrophobicContact CG-CG2 4.33Å; L358-V388 PolarHBondContact N-O 3.42Å; L358-V388 PolarHBondContact O-N 3.4Å; I360-V388 HydrophobicContact CD1-CG2 4.33Å; V388-Y399 HydrophobicContact CB-CD2 3.95Å; V388-Y399 HydrophobicContact CB-CG 4.22Å; V388-Y399 HydrophobicContact CG1-CD2 3.69Å; V388-Y399 HydrophobicContact CG1-CE2 3.88Å; V388-Y399 HydrophobicContact CG1-CG 4.28Å; V388-E416 HydrophobicContact CG1-CB 4.46Å; V388-E416 HydrophobicContact CG1-CG 4.07Å
389	D	95.3	Very high	90.4	Very high	39 Å²	39	37.9 Å²	37.9	21%	0.209	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-102.7	116.3	174.7	-178.4	11.6	0	0	0	109.6	L357 D391 Y399 S400 P402	L357-D389 HydrophobicContact CD2-CB 3.51Å; D389-D391 PolarHBondContact OD1-N 3.07Å; D389-Y399 CarbonylContact O-C 3.47Å; D389-Y399 WeakPolarHBondContact O-CA 3.42Å; D389-Y399 WeakPolarHBondContact O-CB 3.35Å; D389-S400 WeakPolarHBondContact CB-O 3.36Å; D389-S400 WeakPolarHBondContact CB-OG 3.35Å; D389-S400 PolarHBondContact N-O 3.26Å; D389-S400 PolarHBondContact O-N 3.39Å; D389-S400 PolarHBondContact O-OG 2.7Å; D389-S400 PolarHBondContact OD2-OG 2.95Å; D389-S400 VanDerWaalsContact OD2-OG 3.12Å; D389-P402 HydrophobicContact CB-CG 4.2Å
390	V	94.9	Very high	91.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	22%	0.222	C	C	.	.			trans	-91.2	-13.5	179	-63.2	0	0	0	0	112	Y293 L335 F352 L358 T392 P615	Y293-V390 HydrophobicContact CE1-CB 4.34Å; Y293-V390 HydrophobicContact CE1-CG1 3.96Å; L335-V390 HydrophobicContact CD1-CG1 4.31Å; F352-V390 HydrophobicContact CE1-CG2 3.84Å; F352-V390 HydrophobicContact CZ-CG2 4.1Å; L358-V390 HydrophobicContact CB-CG1 4.19Å; L358-V390 HydrophobicContact CD2-CG1 3.91Å; V390-T392 PolarHBondContact O-N 3.26Å; V390-P615 HydrophobicContact CB-CG 4.44Å; V390-P615 WeakPolarHBondContact O-CD 3.01Å; V390-P615 VanDerWaalsContact O-CG 3.27Å; V390-P615 WeakPolarHBondContact O-CG 3.29Å
391	D	93.5	Very high	91.6	Very high	63 Å²	63	35.8 Å²	35.8	34%	0.337	21%	0.206	S	C	.	.			trans	-81.2	53.5	179.8	-78.3	-38.1	0	0	0	111.2	H283 D389 P615 T616	H283-D391 IonicContact CE1-OD1 3.48Å; H283-D391 PolarHBondContact CE1-OD1 2.88Å; H283-D391 VanDerWaalsContact CE1-OD1 3.31Å; H283-D391 IonicContact CE1-OD2 3.25Å; H283-D391 IonicContact NE2-OD1 3.61Å; H283-D391 PolarHBondContact NE2-OD1 3.5Å; H283-D391 VanDerWaalsContact NE2-OD1 3.14Å; H283-D391 IonicContact NE2-OD2 3.39Å; D389-D391 PolarHBondContact OD1-N 3.07Å; D391-P615 WeakPolarHBondContact OD1-CB 3.07Å; D391-T616 HydrophobicContact CB-CG2 3.85Å; D391-T616 WeakPolarHBondContact O-CG2 3.38Å
392	T	89.8	Confident	91.7	Very high	9 Å²	9	34.7 Å²	34.7	6%	0.055	20%	0.202	C	C	.	.			trans	-95.3	140.2	178.9	-177.1	0	0	0	0	112.4	V390 I394 T614	V390-T392 PolarHBondContact O-N 3.26Å; T392-I394 VanDerWaalsContact C-N 3.34Å; T392-I394 WeakPolarHBondContact OG1-CB 3.43Å; T392-I394 PolarHBondContact OG1-N 3.45Å; T392-T614 VanDerWaalsContact O-CB 3.27Å; T392-T614 WeakPolarHBondContact O-CB 2.99Å; T392-T614 WeakPolarHBondContact O-CG2 3.39Å
393	D	88.9	Confident	91.6	Very high	86 Å²	86	44.1 Å²	44.1	46%	0.46	24%	0.236	S	C	.	.			trans	-91.5	0.7	168	-72.4	-27.8	0	0	0	112.2	T616 K618	D393-T616 WeakPolarHBondContact OD1-CB 3.06Å; D393-T616 PolarHBondContact OD1-OG1 3.29Å; D393-K618 HydrophobicContact CB-CD 3.83Å; D393-K618 WeakPolarHBondContact O-CD 3.5Å; D393-K618 VanDerWaalsContact O-CE 3.29Å; D393-K618 WeakPolarHBondContact O-CE 2.77Å; D393-K618 PolarHBondContact O-NZ 3.21Å
394	I	89.2	Confident	91.5	Very high	88 Å²	88	47 Å²	47	45%	0.451	25%	0.25	S	C	.	.			trans	-84.8	130.8	-178.3	-56.2	171.6	0	0	0	108.3	T392 T396	T392-I394 VanDerWaalsContact C-N 3.34Å; T392-I394 WeakPolarHBondContact OG1-CB 3.43Å; T392-I394 PolarHBondContact OG1-N 3.45Å; I394-T396 WeakPolarHBondContact CG2-OG1 3.44Å
395	C	88.4	Confident	91.4	Very high	59 Å²	59	47 Å²	47	40%	0.399	25%	0.249	S	C	.	.	S	Bend	trans	-92.4	-12.8	-179.2	-60.7	0	0	0	0	113.7	C620	C395-C620 WeakPolarHBondContact CA-SG 3.18Å; C395-C620 HydrophobicContact CB-CB 3.56Å; C395-C620 WeakPolarHBondContact CB-SG 3.43Å; C395-C620 WeakPolarHBondContact SG-CA 3.43Å; C395-C620 WeakPolarHBondContact SG-CB 3.32Å; C395-C620 CovalentContact SG-SG 2.04Å; C395-C620 PolarHBondContact SG-SG 3.45Å
396	T	87.9	Confident	91.1	Very high	138 Å²	138	48.8 Å²	48.8	85%	0.847	26%	0.261	S	S	*	.	S	Bend	trans	-87.3	-27	-179.1	52.6	0	0	0	0	112.7	I394	I394-T396 WeakPolarHBondContact CG2-OG1 3.44Å
397	S	87	Confident	90.9	Very high	47 Å²	47	50.9 Å²	50.9	33%	0.329	27%	0.269	S	S	.	.	S	Bend	trans	-115.9	142	177.5	64.8	0	0	0	0	109.8	Y399	S397-Y399 VanDerWaalsContact C-N 3.31Å; S397-Y399 PolarHBondContact OG-O 3.37Å; S397-Y399 VanDerWaalsContact OG-O 3.14Å
398	S	88.3	Confident	90.7	Very high	37 Å²	37	55.1 Å²	55.1	26%	0.259	29%	0.288	S	S	.	.	S	Bend	trans	-76.5	-20.9	-177.9	-53.4	0	0	0	0	113.8	H333 V334	H333-S398 VanDerWaalsContact CE1-CB 3.46Å; H333-S398 WeakPolarHBondContact CE1-CB 3.43Å; H333-S398 PolarHBondContact CE1-OG 3.34Å; H333-S398 VanDerWaalsContact CE1-OG 3.24Å; V334-S398 PolarHBondContact O-OG 3.41Å
399	Y	93.8	Very high	90.4	Very high	43 Å²	43	61.8 Å²	61.8	17%	0.169	32%	0.324	C	S	.	.			trans	-148.8	167.9	178.7	57.7	-93.7	0	0	0	109.9	L335 M336 V388 D389 S397 I401 E416	L335-Y399 WeakPolarHBondContact O-CE1 3.24Å; M336-Y399 HydrophobicContact CE-CD1 4.23Å; M336-Y399 HydrophobicContact CE-CE1 3.67Å; M336-Y399 HydrophobicContact CE-CE2 4.01Å; M336-Y399 HydrophobicContact CG-CE1 4.04Å; V388-Y399 HydrophobicContact CB-CD2 3.95Å; V388-Y399 HydrophobicContact CB-CG 4.22Å; V388-Y399 HydrophobicContact CG1-CD2 3.69Å; V388-Y399 HydrophobicContact CG1-CE2 3.88Å; V388-Y399 HydrophobicContact CG1-CG 4.28Å; D389-Y399 CarbonylContact O-C 3.47Å; D389-Y399 WeakPolarHBondContact O-CA 3.42Å; D389-Y399 WeakPolarHBondContact O-CB 3.35Å; S397-Y399 VanDerWaalsContact C-N 3.31Å; S397-Y399 PolarHBondContact OG-O 3.37Å; S397-Y399 VanDerWaalsContact OG-O 3.14Å; Y399-I401 HydrophobicContact CD2-CD1 4.14Å; Y399-I401 HydrophobicContact CE2-CD1 3.74Å; Y399-E416 HydrophobicContact CE2-CG 3.92Å; Y399-E416 WeakPolarHBondContact CE2-OE1 3.48Å; Y399-E416 PolarHBondContact OH-OE1 3.31Å
400	S	93.4	Very high	90.2	Very high	30 Å²	30	62 Å²	62	21%	0.21	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-111.7	155.3	168.4	35.1	0	0	0	0	111	D389	D389-S400 WeakPolarHBondContact CB-O 3.36Å; D389-S400 WeakPolarHBondContact CB-OG 3.35Å; D389-S400 PolarHBondContact N-O 3.26Å; D389-S400 PolarHBondContact O-N 3.39Å; D389-S400 PolarHBondContact O-OG 2.7Å; D389-S400 PolarHBondContact OD2-OG 2.95Å; D389-S400 VanDerWaalsContact OD2-OG 3.12Å
401	I	93.8	Very high	89.8	Confident	40 Å²	40	68.5 Å²	68.5	21%	0.205	37%	0.368	C	S	.	.			trans	-89.6	124.8	172.8	-54.5	-57.8	0	0	0	109.2	Y399 R403 N405 F408 P415 E416	Y399-I401 HydrophobicContact CD2-CD1 4.14Å; Y399-I401 HydrophobicContact CE2-CD1 3.74Å; I401-R403 PolarHBondContact O-N 3.26Å; I401-N405 HydrophobicContact CG2-CB 4.25Å; I401-F408 HydrophobicContact CB-CD2 4.34Å; I401-F408 HydrophobicContact CG2-CD2 3.87Å; I401-P415 HydrophobicContact CD1-CB 4.33Å; I401-P415 HydrophobicContact CD1-CG 4.21Å; I401-P415 HydrophobicContact CG1-CB 4.05Å; I401-P415 HydrophobicContact CG1-CG 4.09Å; I401-P415 HydrophobicContact CG2-CB 3.98Å; I401-P415 WeakPolarHBondContact CG2-O 3.39Å; I401-E416 HydrophobicContact CD1-CG 3.78Å
402	P	91.9	Very high	89.4	Confident	10 Å²	10	72.5 Å²	72.5	7%	0.065	39%	0.389	C	S	.	.			trans	-59.3	134.5	172.3	-23.3	33.2	0	0	0	112.4	L357 R387 D389 N404 N405 F408	L357-P402 HydrophobicContact CD1-CB 3.99Å; L357-P402 HydrophobicContact CD1-CG 3.84Å; L357-P402 HydrophobicContact CD2-CG 3.93Å; L357-P402 HydrophobicContact CG-CG 4.46Å; R387-P402 HydrophobicContact CG-CG 4.3Å; D389-P402 HydrophobicContact CB-CG 4.2Å; P402-N404 WeakPolarHBondContact CB-OD1 3.48Å; P402-N404 PolarHBondContact O-N 2.67Å; P402-N404 VanDerWaalsContact O-N 3.11Å; P402-N405 WeakPolarHBondContact O-CB 3.19Å; P402-N405 PolarHBondContact O-N 3.33Å; P402-F408 WeakPolarHBondContact O-CD2 3.45Å
403	R	89.2	Confident	89.3	Confident	217 Å²	217	76.2 Å²	76.2	82%	0.819	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.4	177.1	-62.3	-175.7	-176	-168.4	1	113.6	I401 N405 F408	I401-R403 PolarHBondContact O-N 3.26Å; R403-N405 VanDerWaalsContact C-N 3.33Å; R403-F408 HydrophobicContact CB-CE2 4.46Å; R403-F408 HydrophobicContact CG-CE1 4.38Å; R403-F408 HydrophobicContact CG-CE2 4.02Å; R403-F408 HydrophobicContact CG-CZ 3.9Å
404	N	86.8	Confident	89.4	Confident	68 Å²	68	73.3 Å²	73.3	36%	0.364	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	8.3	178.8	67.9	-10.7	0	0	0	112.9	R387 P402 K462	R387-N404 PolarHBondContact NH1-ND2 3.34Å; R387-N404 VanDerWaalsContact NH1-ND2 3.18Å; R387-N404 PolarHBondContact NH1-OD1 3.03Å; R387-N404 PolarHBondContact NH2-ND2 3.32Å; P402-N404 WeakPolarHBondContact CB-OD1 3.48Å; P402-N404 PolarHBondContact O-N 2.67Å; P402-N404 VanDerWaalsContact O-N 3.11Å; N404-K462 WeakPolarHBondContact O-CD 3.3Å; N404-K462 WeakPolarHBondContact O-CE 3.26Å; N404-K462 PolarHBondContact O-NZ 2.87Å
405	N	89.8	Confident	89.5	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.021	38%	0.381	C	S	.	.	S	Bend	trans	-67.5	153.1	168.4	-82	12.7	0	0	0	111	R387 I401 P402 R403 Y407 P415	R387-N405 WeakPolarHBondContact CD-OD1 3.5Å; R387-N405 PolarHBondContact O-ND2 2.94Å; I401-N405 HydrophobicContact CG2-CB 4.25Å; P402-N405 WeakPolarHBondContact O-CB 3.19Å; P402-N405 PolarHBondContact O-N 3.33Å; R403-N405 VanDerWaalsContact C-N 3.33Å; N405-Y407 VanDerWaalsContact C-N 3.32Å; N405-P415 PolarHBondContact ND2-O 2.72Å
406	P	88.4	Confident	89.8	Confident	39 Å²	39	68.9 Å²	68.9	25%	0.253	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-36.5	-179.9	26.2	-33.6	0	0	0	112.1	I417 K462	P406-I417 VanDerWaalsContact CD-O 3.32Å; P406-I417 WeakPolarHBondContact CD-O 3.47Å; P406-I417 WeakPolarHBondContact CG-O 3.43Å; P406-K462 HydrophobicContact CB-CG 4.41Å
407	Y	89.6	Confident	90	Very high	43 Å²	43	63 Å²	63	17%	0.169	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	30.3	-175.2	-48.2	-54.6	0	0	0	112.8	N405 N409 S410 Q413 P415 I417	N405-Y407 VanDerWaalsContact C-N 3.32Å; Y407-N409 PolarHBondContact O-N 3.39Å; Y407-S410 VanDerWaalsContact O-CB 3.25Å; Y407-S410 WeakPolarHBondContact O-CB 3.48Å; Y407-S410 PolarHBondContact O-N 2.84Å; Y407-Q413 HydrophobicContact CD1-CB 4.39Å; Y407-Q413 HydrophobicContact CD2-CB 4.33Å; Y407-Q413 HydrophobicContact CG-CB 4.1Å; Y407-Q413 PolarHBondContact OH-OE1 3.36Å; Y407-P415 WeakPolarHBondContact O-CA 3.34Å; Y407-P415 WeakPolarHBondContact O-CB 3.27Å; Y407-I417 HydrophobicContact CD2-CB 4.07Å; Y407-I417 HydrophobicContact CD2-CG2 4.28Å; Y407-I417 HydrophobicContact CE2-CB 4.2Å; Y407-I417 HydrophobicContact CE2-CG2 3.9Å
408	F	89.5	Confident	90.2	Very high	96 Å²	96	61 Å²	61	42%	0.421	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	123.5	178.2	179.2	-100.4	0	0	0	110.9	I401 P402 R403 S410	I401-F408 HydrophobicContact CB-CD2 4.34Å; I401-F408 HydrophobicContact CG2-CD2 3.87Å; P402-F408 WeakPolarHBondContact O-CD2 3.45Å; R403-F408 HydrophobicContact CB-CE2 4.46Å; R403-F408 HydrophobicContact CG-CE1 4.38Å; R403-F408 HydrophobicContact CG-CE2 4.02Å; R403-F408 HydrophobicContact CG-CZ 3.9Å; F408-S410 PolarHBondContact O-N 3.19Å
409	N	89.7	Confident	90.2	Very high	141 Å²	141	59.3 Å²	59.3	75%	0.754	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	19.3	-178.1	-155	45.2	0	0	0	114.9	Y407	Y407-N409 PolarHBondContact O-N 3.39Å
410	S	89.5	Confident	90	Very high	44 Å²	44	59.6 Å²	59.6	31%	0.308	31%	0.306	S	S	.	.			trans	-74.2	145.2	169.4	-172.5	0	0	0	0	110.5	Y407 F408 N412 Q413	Y407-S410 VanDerWaalsContact O-CB 3.25Å; Y407-S410 WeakPolarHBondContact O-CB 3.48Å; Y407-S410 PolarHBondContact O-N 2.84Å; F408-S410 PolarHBondContact O-N 3.19Å; S410-N412 PolarHBondContact OG-N 3.29Å; S410-Q413 PolarHBondContact OG-N 3.43Å
411	T	87.4	Confident	89.5	Confident	136 Å²	136	58.7 Å²	58.7	83%	0.834	30%	0.301	S	S	*	.	S	Bend	trans	-102.6	-15	172.4	54.1	0	0	0	0	112.8
412	N	85.6	Confident	89.2	Confident	147 Å²	147	56.9 Å²	56.9	79%	0.786	29%	0.292	S	S	*	.	S	Bend	trans	-95.7	-24.3	-173.7	-63.9	-6.2	0	0	0	112.5	S410	S410-N412 PolarHBondContact OG-N 3.29Å
413	Q	86.2	Confident	89	Confident	88 Å²	88	58.4 Å²	58.4	41%	0.411	30%	0.298	S	S	.	.	S	Bend	trans	-131.5	143.6	178.4	-73.5	179.8	-8.8	0	0	108.4	Y407 S410	Y407-Q413 HydrophobicContact CD1-CB 4.39Å; Y407-Q413 HydrophobicContact CD2-CB 4.33Å; Y407-Q413 HydrophobicContact CG-CB 4.1Å; Y407-Q413 PolarHBondContact OH-OE1 3.36Å; S410-Q413 PolarHBondContact OG-N 3.43Å
414	P	91.3	Very high	88.9	Confident	24 Å²	24	50.2 Å²	50.2	16%	0.156	27%	0.271	C	S	.	.			trans	-60.1	126	-179.3	22.4	-33.5	0	0	0	111	D380 F381 E416 I417	D380-P414 HydrophobicContact CB-CG 4.05Å; F381-P414 HydrophobicContact CD1-CB 4.28Å; F381-P414 HydrophobicContact CE1-CB 3.75Å; F381-P414 HydrophobicContact CE1-CG 4.44Å; P414-E416 PolarHBondContact O-N 3.49Å; P414-E416 VanDerWaalsContact O-N 3.15Å; P414-I417 HydrophobicContact CB-CG1 4.42Å; P414-I417 HydrophobicContact CG-CD1 3.34Å; P414-I417 HydrophobicContact CG-CG1 3.7Å; P414-I417 PolarHBondContact O-N 3.11Å
415	P	92.9	Very high	89	Confident	33 Å²	33	47.4 Å²	47.4	21%	0.214	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.8	-175.6	28.1	-36.6	0	0	0	113.9	I401 N405 Y407	I401-P415 HydrophobicContact CD1-CB 4.33Å; I401-P415 HydrophobicContact CD1-CG 4.21Å; I401-P415 HydrophobicContact CG1-CB 4.05Å; I401-P415 HydrophobicContact CG1-CG 4.09Å; I401-P415 HydrophobicContact CG2-CB 3.98Å; I401-P415 WeakPolarHBondContact CG2-O 3.39Å; N405-P415 PolarHBondContact ND2-O 2.72Å; Y407-P415 WeakPolarHBondContact O-CA 3.34Å; Y407-P415 WeakPolarHBondContact O-CB 3.27Å
416	E	93.6	Very high	88.9	Confident	22 Å²	22	48.2 Å²	48.2	10%	0.103	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-29.7	175.6	-66.1	80.8	-179.4	0	0	113.2	M336 F381 L386 R387 V388 Y399 I401 P414 F418	M336-E416 HydrophobicContact CE-CG 3.94Å; F381-E416 HydrophobicContact CE1-CB 4.06Å; F381-E416 HydrophobicContact CE1-CG 4.2Å; F381-E416 HydrophobicContact CZ-CG 4.34Å; L386-E416 CarbonylContact C-O 3.58Å; L386-E416 VanDerWaalsContact CA-O 3.3Å; L386-E416 WeakPolarHBondContact CA-O 3.48Å; L386-E416 HydrophobicContact CB-CB 4.37Å; L386-E416 HydrophobicContact CD2-CB 4.17Å; R387-E416 PolarHBondContact N-O 3.12Å; V388-E416 HydrophobicContact CG1-CB 4.46Å; V388-E416 HydrophobicContact CG1-CG 4.07Å; Y399-E416 HydrophobicContact CE2-CG 3.92Å; Y399-E416 WeakPolarHBondContact CE2-OE1 3.48Å; Y399-E416 PolarHBondContact OH-OE1 3.31Å; I401-E416 HydrophobicContact CD1-CG 3.78Å; P414-E416 PolarHBondContact O-N 3.49Å; P414-E416 VanDerWaalsContact O-N 3.15Å; E416-F418 PolarHBondContact O-N 2.79Å
417	I	92.4	Very high	89	Confident	13 Å²	13	48.8 Å²	48.8	7%	0.067	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	127.5	-174.2	-66.8	-178	0	0	0	110.3	L386 P406 Y407 P414 H420	L386-I417 HydrophobicContact CD2-CG1 3.85Å; P406-I417 VanDerWaalsContact CD-O 3.32Å; P406-I417 WeakPolarHBondContact CD-O 3.47Å; P406-I417 WeakPolarHBondContact CG-O 3.43Å; Y407-I417 HydrophobicContact CD2-CB 4.07Å; Y407-I417 HydrophobicContact CD2-CG2 4.28Å; Y407-I417 HydrophobicContact CE2-CB 4.2Å; Y407-I417 HydrophobicContact CE2-CG2 3.9Å; P414-I417 HydrophobicContact CB-CG1 4.42Å; P414-I417 HydrophobicContact CG-CD1 3.34Å; P414-I417 HydrophobicContact CG-CG1 3.7Å; P414-I417 PolarHBondContact O-N 3.11Å; I417-H420 HydrophobicContact CG2-CB 4.39Å
418	F	90.6	Very high	89	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-38.4	172.5	179.3	-99.1	0	0	0	112.3	I385 R387 E416 K462 G463	I385-F418 WeakPolarHBondContact O-CA 3.3Å; I385-F418 WeakPolarHBondContact O-CB 3.21Å; I385-F418 PolarHBondContact O-N 3.19Å; R387-F418 HydrophobicContact CB-CB 3.79Å; R387-F418 HydrophobicContact CB-CD2 4.28Å; R387-F418 HydrophobicContact CB-CG 4.25Å; E416-F418 PolarHBondContact O-N 2.79Å; F418-K462 HydrophobicContact CD2-CB 4.42Å; F418-K462 HydrophobicContact CD2-CG 4.23Å; F418-K462 HydrophobicContact CE1-CB 4.43Å; F418-K462 HydrophobicContact CE2-CB 3.57Å; F418-K462 HydrophobicContact CE2-CD 4.45Å; F418-K462 HydrophobicContact CE2-CG 3.73Å; F418-K462 VanDerWaalsContact CZ-CA 3.45Å; F418-K462 HydrophobicContact CZ-CB 3.59Å; F418-K462 HydrophobicContact CZ-CG 4.26Å; F418-G463 WeakPolarHBondContact O-CA 3.3Å; F418-G463 PolarHBondContact O-N 3.35Å
419	A	88.9	Confident	88.9	Confident	1 Å²	1	43 Å²	43	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	156.4	173.9	0	0	0	0	0	108.9	S384 I385 V460 Y466	S384-A419 CarbonylContact C-O 3.5Å; S384-A419 WeakPolarHBondContact CA-O 3.31Å; S384-A419 WeakPolarHBondContact CB-O 3.4Å; I385-A419 PolarHBondContact N-O 3.47Å; I385-A419 PolarHBondContact O-N 2.83Å; A419-V460 HydrophobicContact CB-CG1 3.48Å; A419-V460 VanDerWaalsContact CB-CG1 3.48Å; A419-Y466 HydrophobicContact CB-CD2 4.46Å; A419-Y466 HydrophobicContact CB-CE2 4.18Å
420	H	88.5	Confident	88.6	Confident	49 Å²	49	37.1 Å²	37.1	23%	0.227	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	170.6	179.4	65.8	-78.9	0	0	0	111.7	G383 S384 I417 K464 D465 Y466	G383-H420 CarbonylContact O-C 3.54Å; S384-H420 VanDerWaalsContact OG-CB 3.32Å; S384-H420 WeakPolarHBondContact OG-CB 3.49Å; I417-H420 HydrophobicContact CG2-CB 4.39Å; H420-K464 PolarHBondContact N-O 3.41Å; H420-D465 IonicContact CD2-OD1 3.67Å; H420-D465 IonicContact CD2-OD2 3.74Å; H420-D465 IonicContact CE1-OD2 3.06Å; H420-D465 WeakPolarHBondContact NE2-CB 3.49Å; H420-D465 IonicContact NE2-OD1 3.69Å; H420-D465 PolarHBondContact NE2-OD1 2.87Å; H420-D465 IonicContact NE2-OD2 3.81Å; H420-D465 PolarHBondContact NE2-OD2 3.08Å; H420-Y466 PolarHBondContact O-N 3.28Å
421	G	84.9	Confident	88	Confident	11 Å²	11	37.3 Å²	37.3	11%	0.113	21%	0.207	C	C	.	.			trans	100.6	21.9	-179	0	0	0	0	0	115	G383 R456 Y466	G383-G421 PolarHBondContact O-N 2.8Å; G421-R456 PolarHBondContact O-NH2 3.17Å; G421-Y466 CarbonylContact O-C 3.5Å
422	L	87.3	Confident	87	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.016	19%	0.193	C	C	.	.			trans	-85.3	141.5	171	-63.4	-179.7	0	0	0	110.6	I361 G383 I385 P425 L458	I361-L422 HydrophobicContact CG2-CD1 3.62Å; G383-L422 WeakPolarHBondContact CA-O 3.31Å; G383-L422 PolarHBondContact O-N 3.13Å; I385-L422 HydrophobicContact CD1-CD1 4.04Å; I385-L422 HydrophobicContact CG1-CD1 3.5Å; I385-L422 VanDerWaalsContact CG1-CD1 3.5Å; I385-L422 HydrophobicContact CG1-CG 4.48Å; L422-P425 HydrophobicContact CB-CG 4.41Å; L422-P425 HydrophobicContact CD1-CB 4.33Å; L422-P425 HydrophobicContact CD1-CG 4.33Å; L422-L458 HydrophobicContact CD2-CD1 3.58Å
423	H	87	Confident	86	Confident	42 Å²	42	35.5 Å²	35.5	19%	0.194	18%	0.181	C	C	.	.	S	Bend	trans	-105	-77	176.2	-65.3	-66.6	0	0	0	111.3	H345 G363 D364 P425 D446	H345-H423 WeakPolarHBondContact CB-O 3.44Å; G363-H423 CarbonylContact C-O 3.55Å; G363-H423 WeakPolarHBondContact CA-O 3.42Å; D364-H423 PolarHBondContact N-O 3.41Å; D364-H423 WeakPolarHBondContact OD2-CA 3.34Å; D364-H423 IonicContact OD2-CE1 3.52Å; D364-H423 IonicContact OD2-CG 2.72Å; D364-H423 IonicContact OD2-ND1 2.94Å; D364-H423 PolarHBondContact OD2-ND1 3.47Å; H423-P425 VanDerWaalsContact C-CD 3.46Å; H423-P425 WeakPolarHBondContact O-CD 3.11Å; H423-D446 IonicContact CD2-OD2 3.91Å; H423-D446 PolarHBondContact N-OD1 3.15Å
424	D	87.3	Confident	84.5	Confident	44 Å²	44	37.9 Å²	37.9	24%	0.235	19%	0.191	C	C	.	.	S	Bend	trans	-123.6	74.3	-179.5	-171.4	23	0	0	0	109.6	H345 G426 D446 A447	H345-D424 HydrophobicContact CB-CB 4.43Å; H345-D424 IonicContact CD2-OD1 3.94Å; H345-D424 IonicContact CD2-OD2 2.8Å; D424-G426 PolarHBondContact O-N 3.02Å; D424-D446 PolarHBondContact N-OD1 2.79Å; D424-A447 HydrophobicContact CB-CB 4.26Å; D424-A447 PolarHBondContact O-N 2.9Å
425	P	89.3	Confident	82.6	Confident	9 Å²	9	40 Å²	40	6%	0.058	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-71.6	122.3	-177.6	28.9	-33.6	0	0	0	110.9	I361 L422 H423 T445	I361-P425 HydrophobicContact CG2-CB 4.04Å; I361-P425 HydrophobicContact CG2-CG 4.05Å; L422-P425 HydrophobicContact CB-CG 4.41Å; L422-P425 HydrophobicContact CD1-CB 4.33Å; L422-P425 HydrophobicContact CD1-CG 4.33Å; H423-P425 VanDerWaalsContact C-CD 3.46Å; H423-P425 WeakPolarHBondContact O-CD 3.11Å; P425-T445 CarbonylContact C-O 3.55Å; P425-T445 WeakPolarHBondContact CA-O 3.42Å
426	G	87.8	Confident	80.4	Confident	22 Å²	22	47 Å²	47	23%	0.227	24%	0.24	C	C	.	.			trans	-74.1	-162.3	164.9	0	0	0	0	0	112.2	D424 C428 T445	D424-G426 PolarHBondContact O-N 3.02Å; G426-C428 PolarHBondContact O-N 3.42Å; G426-C428 VanDerWaalsContact O-N 3.08Å; G426-T445 PolarHBondContact N-O 2.82Å
427	R	90	Very high	78.2	Confident	50 Å²	50	53 Å²	53	19%	0.189	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-65.7	114.5	178.4	-172.1	-170.7	-175.4	-82.2	0.3	111.5	V484 G485 G486	R427-V484 PolarHBondContact N-O 3.11Å; R427-V484 VanDerWaalsContact N-O 3.08Å; R427-G485 WeakPolarHBondContact O-CA 3.44Å; R427-G486 PolarHBondContact NH1-O 2.04Å; R427-G486 PolarHBondContact O-N 3.34Å
428	C	89.9	Confident	76.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.291	C	S	.	.			trans	-87.2	162	171.8	-57.3	0	0	0	0	112.8	Q349 I361 G426 I442 L443 C444	Q349-C428 PolarHBondContact NE2-O 3.28Å; I361-C428 HydrophobicContact CD1-CB 3.45Å; I361-C428 VanDerWaalsContact CD1-CB 3.45Å; I361-C428 VanDerWaalsContact CD1-SG 3.55Å; G426-C428 PolarHBondContact O-N 3.42Å; G426-C428 VanDerWaalsContact O-N 3.08Å; C428-I442 HydrophobicContact CB-CG2 4.17Å; C428-L443 CarbonylContact C-O 3.55Å; C428-L443 WeakPolarHBondContact CA-O 3.46Å; C428-C444 HydrophobicContact CB-CB 4.07Å; C428-C444 WeakPolarHBondContact CB-SG 3.4Å; C428-C444 WeakPolarHBondContact SG-CA 3.34Å; C428-C444 WeakPolarHBondContact SG-CB 3.25Å; C428-C444 CovalentContact SG-SG 2.03Å; C428-C444 PolarHBondContact SG-SG 3.35Å
429	V	87.7	Confident	74.8	Confident	17 Å²	17	56.8 Å²	56.8	10%	0.103	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	145.3	177	64.9	0	0	0	0	111.1	I442 L443 I488 Y501	V429-I442 CarbonylContact O-C 3.59Å; V429-I442 WeakPolarHBondContact O-CA 3.22Å; V429-L443 HydrophobicContact CG1-CB 4.05Å; V429-L443 PolarHBondContact N-O 2.87Å; V429-L443 PolarHBondContact O-N 2.82Å; V429-I488 HydrophobicContact CG1-CD1 3.95Å; V429-I488 HydrophobicContact CG1-CG1 3.8Å; V429-I488 HydrophobicContact CG2-CB 4.25Å; V429-I488 HydrophobicContact CG2-CD1 4.13Å; V429-I488 HydrophobicContact CG2-CG1 4.05Å; V429-Y501 HydrophobicContact CG1-CD2 3.86Å; V429-Y501 HydrophobicContact CG1-CE2 3.5Å; V429-Y501 VanDerWaalsContact CG1-CE2 3.5Å
430	V	83.3	Confident	73.9	Confident	19 Å²	19	58 Å²	58	12%	0.115	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.5	172.3	172.7	0	0	0	0	108.9	L351 R432 L440 I442	L351-V430 HydrophobicContact CD1-CB 4.35Å; L351-V430 HydrophobicContact CD1-CG2 3.3Å; L351-V430 HydrophobicContact CD2-CG2 3.93Å; L351-V430 HydrophobicContact CG-CG2 4.28Å; V430-R432 PolarHBondContact O-N 2.87Å; V430-L440 HydrophobicContact CG1-CD2 3.42Å; V430-L440 VanDerWaalsContact CG1-CD2 3.42Å; V430-L440 HydrophobicContact CG2-CD2 4.33Å; V430-I442 HydrophobicContact CG2-CB 4.41Å; V430-I442 HydrophobicContact CG2-CD1 4.29Å; V430-I442 HydrophobicContact CG2-CG1 3.96Å; V430-I442 HydrophobicContact CG2-CG2 4.15Å
431	D	75.3	Confident	73.3	Confident	48 Å²	48	56.7 Å²	56.7	26%	0.257	31%	0.31	S	S	.	.			trans	-73.2	122.4	169.4	-159.5	-8.2	0	0	0	110.1	L433 V441 I488 R490	D431-L433 VanDerWaalsContact C-N 3.27Å; D431-L433 PolarHBondContact OD1-N 2.86Å; D431-V441 PolarHBondContact N-O 2.83Å; D431-I488 HydrophobicContact CB-CD1 3.62Å; D431-R490 IonicContact OD1-CZ 3.78Å; D431-R490 IonicContact OD1-NE 3.9Å; D431-R490 IonicContact OD1-NH2 2.75Å; D431-R490 PolarHBondContact OD1-NH2 2.99Å; D431-R490 IonicContact OD2-NH2 3.45Å; D431-R490 PolarHBondContact OD2-NH2 2.71Å
432	R	68.1	Low	73.2	Confident	145 Å²	145	56.2 Å²	56.2	55%	0.547	30%	0.304	S	S	.	.	S	Bend	trans	-77	-15.5	179.2	-63	-175	-177.6	157.9	5.6	112.6	P354 V430 Q434 E552	P354-R432 HydrophobicContact CG-CB 4.38Å; P354-R432 HydrophobicContact CG-CG 4.43Å; V430-R432 PolarHBondContact O-N 2.87Å; R432-Q434 PolarHBondContact O-N 2.94Å; R432-E552 IonicContact NH1-OE1 3.18Å; R432-E552 IonicContact NH2-OE1 3.26Å
433	L	64.8	Low	73.1	Confident	100 Å²	100	56.5 Å²	56.5	52%	0.524	31%	0.306	S	S	.	.	S	Bend	trans	-82.4	102.7	172.4	-66.7	177.3	0	0	0	108.2	D431 T435	D431-L433 VanDerWaalsContact C-N 3.27Å; D431-L433 PolarHBondContact OD1-N 2.86Å; L433-T435 PolarHBondContact O-N 3.35Å
434	Q	53.8	Low	73	Confident	137 Å²	137	54.5 Å²	54.5	64%	0.64	30%	0.296	S	S	*	.			trans	-56.8	123.2	173	-156.5	167.8	28.8	0	0	108.4	R432	R432-Q434 PolarHBondContact O-N 2.94Å
435	T	52	Low	72.9	Confident	70 Å²	70	52.4 Å²	52.4	43%	0.429	29%	0.286	S	S	.	.			trans	-64.4	152.7	168.2	33.2	0	0	0	0	109.2	L433 N437 G438 S439	L433-T435 PolarHBondContact O-N 3.35Å; T435-N437 PolarHBondContact O-N 2.92Å; T435-G438 PolarHBondContact O-N 2.93Å; T435-S439 PolarHBondContact OG1-O 2.92Å; T435-S439 PolarHBondContact OG1-OG 3.02Å
436	D	45.4	Very low	72.6	Confident	178 Å²	178	52 Å²	52	95%	0.952	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-15.7	-176.3	-67.7	-33.7	0	0	0	114.6
437	N	48.9	Very low	72.2	Confident	149 Å²	149	52 Å²	52	80%	0.797	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	2	177.7	-68	-10.3	0	0	0	115	T435 S439	T435-N437 PolarHBondContact O-N 2.92Å; N437-S439 PolarHBondContact O-N 3.27Å
438	G	52.6	Low	70.9	Confident	44 Å²	44	52 Å²	52	45%	0.454	29%	0.288	S	S	.	.			trans	71.2	8.2	-178.8	0	0	0	0	0	114.9	T435	T435-G438 PolarHBondContact O-N 2.93Å
439	S	59	Low	69.2	Low	54 Å²	54	54.4 Å²	54.4	38%	0.378	31%	0.313	S	S	.	.			trans	-80.5	120.3	-179.1	57.9	0	0	0	0	111.2	T435 N437 V441	T435-S439 PolarHBondContact OG1-O 2.92Å; T435-S439 PolarHBondContact OG1-OG 3.02Å; N437-S439 PolarHBondContact O-N 3.27Å; S439-V441 PolarHBondContact O-N 3.05Å
440	L	69.4	Low	67.2	Low	27 Å²	27	62.6 Å²	62.6	14%	0.141	35%	0.348	C	S	.	.			trans	-70.2	124.7	172.5	-123.5	144.1	0	0	0	109.5	S353 D355 V430 I442	S353-L440 WeakPolarHBondContact OG-CD2 3.36Å; D355-L440 VanDerWaalsContact OD2-CD1 3.25Å; D355-L440 WeakPolarHBondContact OD2-CD1 3.47Å; V430-L440 HydrophobicContact CG1-CD2 3.42Å; V430-L440 VanDerWaalsContact CG1-CD2 3.42Å; V430-L440 HydrophobicContact CG2-CD2 4.33Å; L440-I442 HydrophobicContact CD2-CG1 4.49Å
441	V	75.6	Confident	65.5	Low	22 Å²	22	69.5 Å²	69.5	13%	0.133	38%	0.384	C	S	.	.			trans	-110.7	116.3	177.6	169.2	0	0	0	0	108.8	D431 S439 L443 E459	D431-V441 PolarHBondContact N-O 2.83Å; S439-V441 PolarHBondContact O-N 3.05Å; V441-L443 HydrophobicContact CG1-CD2 4.34Å; V441-L443 HydrophobicContact CG1-CG 4.25Å; V441-E459 HydrophobicContact CG1-CG 3.72Å; V441-E459 HydrophobicContact CG2-CG 4.28Å; V441-E459 VanDerWaalsContact CG2-OE1 3.29Å; V441-E459 WeakPolarHBondContact CG2-OE1 3.09Å
442	I	82.7	Confident	64.2	Low	0 Å²	0	71.2 Å²	71.2	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.7	172.2	-41.5	-171.1	0	0	0	107.7	I361 I385 C428 V429 V430 L440 E459 V460	I361-I442 HydrophobicContact CD1-CG2 4.42Å; I385-I442 HydrophobicContact CD1-CD1 4.3Å; I385-I442 HydrophobicContact CG2-CD1 4.43Å; C428-I442 HydrophobicContact CB-CG2 4.17Å; V429-I442 CarbonylContact O-C 3.59Å; V429-I442 WeakPolarHBondContact O-CA 3.22Å; V430-I442 HydrophobicContact CG2-CB 4.41Å; V430-I442 HydrophobicContact CG2-CD1 4.29Å; V430-I442 HydrophobicContact CG2-CG1 3.96Å; V430-I442 HydrophobicContact CG2-CG2 4.15Å; L440-I442 HydrophobicContact CD2-CG1 4.49Å; I442-E459 WeakPolarHBondContact O-CA 3.49Å; I442-V460 HydrophobicContact CB-CB 4.15Å; I442-V460 PolarHBondContact N-O 2.87Å; I442-V460 PolarHBondContact O-N 3.08Å
443	L	85.7	Confident	63.4	Low	9 Å²	9	67 Å²	67	5%	0.047	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.5	173.6	-67.3	173.3	0	0	0	109.2	C428 V429 V441 I457 L458 E459 Y501	C428-L443 CarbonylContact C-O 3.55Å; C428-L443 WeakPolarHBondContact CA-O 3.46Å; V429-L443 HydrophobicContact CG1-CB 4.05Å; V429-L443 PolarHBondContact N-O 2.87Å; V429-L443 PolarHBondContact O-N 2.82Å; V441-L443 HydrophobicContact CG1-CD2 4.34Å; V441-L443 HydrophobicContact CG1-CG 4.25Å; L443-I457 HydrophobicContact CD2-CG2 3.96Å; L443-L458 WeakPolarHBondContact CA-O 3.47Å; L443-E459 HydrophobicContact CD2-CB 4.2Å; L443-Y501 HydrophobicContact CB-CE2 4.11Å; L443-Y501 HydrophobicContact CD1-CD1 4.2Å; L443-Y501 HydrophobicContact CD1-CD2 3.95Å; L443-Y501 HydrophobicContact CD1-CE2 4.32Å; L443-Y501 HydrophobicContact CD1-CG 3.88Å
444	C	85.4	Confident	63	Low	0 Å²	0	64.4 Å²	64.4	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.6	177.3	-72.8	0	0	0	0	110.2	C428 I457 L458	C428-C444 HydrophobicContact CB-CB 4.07Å; C428-C444 WeakPolarHBondContact CB-SG 3.4Å; C428-C444 WeakPolarHBondContact SG-CA 3.34Å; C428-C444 WeakPolarHBondContact SG-CB 3.25Å; C428-C444 CovalentContact SG-SG 2.03Å; C428-C444 PolarHBondContact SG-SG 3.35Å; C444-I457 VanDerWaalsContact O-CA 3.27Å; C444-I457 WeakPolarHBondContact O-CA 3.11Å; C444-L458 PolarHBondContact N-O 3.08Å; C444-L458 VanDerWaalsContact N-O 3.15Å; C444-L458 PolarHBondContact O-N 2.03Å
445	T	85.1	Confident	63.6	Low	1 Å²	1	58 Å²	58	1%	0.006	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.2	161.9	59	0	0	0	0	108.3	P425 G426 R456 I457 P483 G485	P425-T445 CarbonylContact C-O 3.55Å; P425-T445 WeakPolarHBondContact CA-O 3.42Å; G426-T445 PolarHBondContact N-O 2.82Å; T445-R456 CarbonylContact C-O 3.54Å; T445-R456 WeakPolarHBondContact CA-O 3.38Å; T445-I457 HydrophobicContact CG2-CG1 4.14Å; T445-P483 HydrophobicContact CG2-CB 4.15Å; T445-G485 WeakPolarHBondContact OG1-CA 3.38Å
446	D	83.3	Confident	64.6	Low	0 Å²	0	55.8 Å²	55.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.9	-179.5	-178.8	27.7	0	0	0	109.2	H423 D424 G455 R456 L458	H423-D446 IonicContact CD2-OD2 3.91Å; H423-D446 PolarHBondContact N-OD1 3.15Å; D424-D446 PolarHBondContact N-OD1 2.79Å; D446-G455 CarbonylContact O-C 3.42Å; D446-G455 WeakPolarHBondContact O-CA 3.41Å; D446-R456 HydrophobicContact CB-CG 3.89Å; D446-R456 PolarHBondContact N-O 3.34Å; D446-R456 PolarHBondContact O-N 3.34Å; D446-R456 IonicContact OD2-CZ 3.56Å; D446-R456 VanDerWaalsContact OD2-CZ 3.26Å; D446-R456 IonicContact OD2-NE 2.7Å; D446-R456 PolarHBondContact OD2-NE 3.2Å; D446-R456 IonicContact OD2-NH2 3.73Å; D446-R456 PolarHBondContact OD2-NH2 3.4Å; D446-L458 HydrophobicContact CB-CD1 4.04Å
447	A	77.3	Confident	66	Low	23 Å²	23	47.4 Å²	47.4	19%	0.19	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	109.1	175.1	0	0	0	0	0	109.3	D424	D424-A447 HydrophobicContact CB-CB 4.26Å; D424-A447 PolarHBondContact O-N 2.9Å
448	S	63.9	Low	67.3	Low	48 Å²	48	40.4 Å²	40.4	34%	0.336	25%	0.254	S	S	.	.			trans	-96.5	131.3	178.1	-177.5	0	0	0	0	110.7	T452	S448-T452 PolarHBondContact O-OG1 3.12Å
449	G	53.3	Low	68.6	Low	51 Å²	51	40.5 Å²	40.5	53%	0.526	24%	0.243	S	C	.	.	S	Bend	trans	106.9	137.8	165.9	0	0	0	0	0	115.4	N451	G449-N451 PolarHBondContact O-N 2.96Å
450	K	46.8	Very low	69.4	Low	190 Å²	190	38 Å²	38	83%	0.826	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-7.8	-177.7	-74.9	177.5	176.3	173.8	0	115.2
451	N	46.3	Very low	69.9	Low	163 Å²	163	38 Å²	38	87%	0.872	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-158.7	15.9	-175.8	-85.8	-37.3	0	0	0	116.3	G449	G449-N451 PolarHBondContact O-N 2.96Å
452	T	49.5	Very low	70.2	Confident	84 Å²	84	41.9 Å²	41.9	52%	0.515	24%	0.242	S	C	.	.			trans	-111.2	126.4	-178.2	35.9	0	0	0	0	111.1	S448 A454	S448-T452 PolarHBondContact O-OG1 3.12Å; T452-A454 PolarHBondContact O-N 3.15Å
453	S	51.7	Low	69.8	Low	57 Å²	57	43.5 Å²	43.5	40%	0.399	26%	0.258	S	S	.	.			trans	-70.6	12	171	48.9	0	0	0	0	113.3	S477 G480	S453-S477 WeakPolarHBondContact O-CB 2.98Å; S453-G480 VanDerWaalsContact CB-O 3.26Å; S453-G480 WeakPolarHBondContact CB-O 2.99Å
454	A	56.1	Low	69.5	Low	46 Å²	46	47 Å²	47	38%	0.38	27%	0.273	S	S	.	.			trans	-83.1	119.6	179.6	0	0	0	0	0	108.9	T452	T452-A454 PolarHBondContact O-N 3.15Å
455	G	65.6	Low	69.2	Low	3 Å²	3	49.7 Å²	49.7	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	160.4	167.2	0	0	0	0	0	110.2	D446 L475	D446-G455 CarbonylContact O-C 3.42Å; D446-G455 WeakPolarHBondContact O-CA 3.41Å; G455-L475 WeakPolarHBondContact O-CA 3.39Å; G455-L475 VanDerWaalsContact O-CB 3.27Å; G455-L475 WeakPolarHBondContact O-CB 3.33Å; G455-L475 WeakPolarHBondContact O-CD1 3.42Å; G455-L475 PolarHBondContact O-N 3.07Å
456	R	72.3	Confident	68.8	Low	22 Å²	22	49.9 Å²	49.9	8%	0.083	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.7	169.4	60	-175.4	-177.9	165.1	3	110	G421 T445 D446 L458 Y466	G421-R456 PolarHBondContact O-NH2 3.17Å; T445-R456 CarbonylContact C-O 3.54Å; T445-R456 WeakPolarHBondContact CA-O 3.38Å; D446-R456 HydrophobicContact CB-CG 3.89Å; D446-R456 PolarHBondContact N-O 3.34Å; D446-R456 PolarHBondContact O-N 3.34Å; D446-R456 IonicContact OD2-CZ 3.56Å; D446-R456 VanDerWaalsContact OD2-CZ 3.26Å; D446-R456 IonicContact OD2-NE 2.7Å; D446-R456 PolarHBondContact OD2-NE 3.2Å; D446-R456 IonicContact OD2-NH2 3.73Å; D446-R456 PolarHBondContact OD2-NH2 3.4Å; R456-L458 HydrophobicContact CG-CD2 4.11Å; R456-L458 HydrophobicContact CG-CG 4.2Å; R456-Y466 PolarHBondContact NH1-O 3.45Å; R456-Y466 PolarHBondContact NH2-O 2.97Å; R456-Y466 VanDerWaalsContact NH2-O 3.14Å
457	I	75.7	Confident	68.2	Low	3 Å²	3	55.1 Å²	55.1	2%	0.015	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.2	166	-71.2	153.3	0	0	0	108.6	L443 C444 T445 V472 Y473 L475 Y501 F503 L513	L443-I457 HydrophobicContact CD2-CG2 3.96Å; C444-I457 VanDerWaalsContact O-CA 3.27Å; C444-I457 WeakPolarHBondContact O-CA 3.11Å; T445-I457 HydrophobicContact CG2-CG1 4.14Å; I457-V472 WeakPolarHBondContact O-CB 3.37Å; I457-V472 PolarHBondContact O-N 2.05Å; I457-Y473 HydrophobicContact CD1-CD1 4.39Å; I457-Y473 PolarHBondContact N-O 3.47Å; I457-L475 HydrophobicContact CD1-CD1 3.84Å; I457-L475 HydrophobicContact CD1-CG 4.47Å; I457-L475 HydrophobicContact CG1-CD1 3.72Å; I457-Y501 HydrophobicContact CD1-CE1 3.85Å; I457-Y501 HydrophobicContact CG1-CE1 4.26Å; I457-Y501 HydrophobicContact CG2-CE1 4.38Å; I457-F503 HydrophobicContact CD1-CD1 4.1Å; I457-F503 HydrophobicContact CD1-CE1 4.24Å; I457-F503 HydrophobicContact CD1-CG 4.45Å; I457-L513 HydrophobicContact CD1-CD1 3.23Å
458	L	75.8	Confident	67.6	Low	1 Å²	1	60.9 Å²	60.9	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.5	179.3	-59.6	175.7	0	0	0	109.1	L422 L443 C444 D446 R456 V460 Y466	L422-L458 HydrophobicContact CD2-CD1 3.58Å; L443-L458 WeakPolarHBondContact CA-O 3.47Å; C444-L458 PolarHBondContact N-O 3.08Å; C444-L458 VanDerWaalsContact N-O 3.15Å; C444-L458 PolarHBondContact O-N 2.03Å; D446-L458 HydrophobicContact CB-CD1 4.04Å; R456-L458 HydrophobicContact CG-CD2 4.11Å; R456-L458 HydrophobicContact CG-CG 4.2Å; L458-V460 HydrophobicContact CB-CG2 3.98Å; L458-Y466 HydrophobicContact CD1-CD1 4.5Å; L458-Y466 HydrophobicContact CD1-CG 4.43Å; L458-Y466 HydrophobicContact CD2-CD1 3.97Å
459	E	79.7	Confident	67.5	Low	47 Å²	47	61.5 Å²	61.5	22%	0.22	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	93.4	163.9	171.2	163.8	-164.6	0	0	107.1	V441 I442 L443 T461 Y466 V472	V441-E459 HydrophobicContact CG1-CG 3.72Å; V441-E459 HydrophobicContact CG2-CG 4.28Å; V441-E459 VanDerWaalsContact CG2-OE1 3.29Å; V441-E459 WeakPolarHBondContact CG2-OE1 3.09Å; I442-E459 WeakPolarHBondContact O-CA 3.49Å; L443-E459 HydrophobicContact CD2-CB 4.2Å; E459-T461 HydrophobicContact CG-CG2 4.33Å; E459-T461 PolarHBondContact O-N 2.85Å; E459-Y466 PolarHBondContact O-OH 3.1Å; E459-V472 HydrophobicContact CB-CG2 3.41Å; E459-V472 VanDerWaalsContact CB-CG2 3.41Å; E459-V472 VanDerWaalsContact N-CG2 3.31Å
460	V	76.5	Confident	67.7	Low	1 Å²	1	64.5 Å²	64.5	1%	0.006	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	122.5	-175.5	-175.7	0	0	0	0	109.9	I385 A419 I442 L458 Y466	I385-V460 HydrophobicContact CD1-CB 4.04Å; I385-V460 HydrophobicContact CD1-CG1 3.67Å; I385-V460 HydrophobicContact CD1-CG2 4.02Å; A419-V460 HydrophobicContact CB-CG1 3.48Å; A419-V460 VanDerWaalsContact CB-CG1 3.48Å; I442-V460 HydrophobicContact CB-CB 4.15Å; I442-V460 PolarHBondContact N-O 2.87Å; I442-V460 PolarHBondContact O-N 3.08Å; L458-V460 HydrophobicContact CB-CG2 3.98Å; V460-Y466 VanDerWaalsContact CA-OH 3.24Å; V460-Y466 WeakPolarHBondContact CA-OH 3.05Å; V460-Y466 HydrophobicContact CB-CE2 4.21Å; V460-Y466 HydrophobicContact CG1-CD2 4.45Å; V460-Y466 HydrophobicContact CG1-CE2 3.74Å; V460-Y466 HydrophobicContact CG2-CE2 4.2Å
461	T	79.8	Confident	68.4	Low	27 Å²	27	56.8 Å²	56.8	17%	0.166	32%	0.318	C	S	.	.			trans	-125.9	163.2	178.4	56.7	0	0	0	0	109.8	E459 G463 K464 Y466	E459-T461 HydrophobicContact CG-CG2 4.33Å; E459-T461 PolarHBondContact O-N 2.85Å; T461-G463 PolarHBondContact O-N 2.98Å; T461-K464 WeakPolarHBondContact OG1-CD 3.4Å; T461-K464 WeakPolarHBondContact OG1-CE 3.39Å; T461-K464 PolarHBondContact OG1-NZ 3.11Å; T461-Y466 PolarHBondContact N-OH 3.35Å; T461-Y466 PolarHBondContact OG1-OH 3.45Å
462	K	81.2	Confident	69.1	Low	104 Å²	104	51.2 Å²	51.2	45%	0.452	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	130.3	-171.8	-179.6	-174.3	166.1	177.9	0	112.6	N404 P406 F418 K464	N404-K462 WeakPolarHBondContact O-CD 3.3Å; N404-K462 WeakPolarHBondContact O-CE 3.26Å; N404-K462 PolarHBondContact O-NZ 2.87Å; P406-K462 HydrophobicContact CB-CG 4.41Å; F418-K462 HydrophobicContact CD2-CB 4.42Å; F418-K462 HydrophobicContact CD2-CG 4.23Å; F418-K462 HydrophobicContact CE1-CB 4.43Å; F418-K462 HydrophobicContact CE2-CB 3.57Å; F418-K462 HydrophobicContact CE2-CD 4.45Å; F418-K462 HydrophobicContact CE2-CG 3.73Å; F418-K462 VanDerWaalsContact CZ-CA 3.45Å; F418-K462 HydrophobicContact CZ-CB 3.59Å; F418-K462 HydrophobicContact CZ-CG 4.26Å; K462-K464 VanDerWaalsContact C-N 3.28Å; K462-K464 PolarHBondContact O-N 2.98Å
463	G	75.6	Confident	69.7	Low	34 Å²	34	49.7 Å²	49.7	35%	0.351	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	18.6	165.7	0	0	0	0	0	114.6	F418 T461	F418-G463 WeakPolarHBondContact O-CA 3.3Å; F418-G463 PolarHBondContact O-N 3.35Å; T461-G463 PolarHBondContact O-N 2.98Å
464	K	78.9	Confident	70.3	Confident	83 Å²	83	52 Å²	52	36%	0.361	28%	0.283	S	S	.	.			trans	-95.9	153.3	178.9	-67.7	-159	-178.4	178.7	0	111.9	H420 T461 K462 Y466 E469	H420-K464 PolarHBondContact N-O 3.41Å; T461-K464 WeakPolarHBondContact OG1-CD 3.4Å; T461-K464 WeakPolarHBondContact OG1-CE 3.39Å; T461-K464 PolarHBondContact OG1-NZ 3.11Å; K462-K464 VanDerWaalsContact C-N 3.28Å; K462-K464 PolarHBondContact O-N 2.98Å; K464-Y466 HydrophobicContact CB-CD2 4.37Å; K464-Y466 HydrophobicContact CB-CE2 3.58Å; K464-E469 WeakPolarHBondContact CD-OE1 3.3Å; K464-E469 WeakPolarHBondContact CD-OE2 3.4Å; K464-E469 IonicContact NZ-OE2 3.57Å
465	D	79.7	Confident	70.6	Confident	56 Å²	56	50.5 Å²	50.5	30%	0.299	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-109.3	116	178.1	-174.7	-20.1	0	0	0	109.4	H420 E467 E469	H420-D465 IonicContact CD2-OD1 3.67Å; H420-D465 IonicContact CD2-OD2 3.74Å; H420-D465 IonicContact CE1-OD2 3.06Å; H420-D465 WeakPolarHBondContact NE2-CB 3.49Å; H420-D465 IonicContact NE2-OD1 3.69Å; H420-D465 PolarHBondContact NE2-OD1 2.87Å; H420-D465 IonicContact NE2-OD2 3.81Å; H420-D465 PolarHBondContact NE2-OD2 3.08Å; D465-E467 WeakPolarHBondContact OD1-CB 3.07Å; D465-E467 PolarHBondContact OD1-N 3.18Å; D465-E469 WeakPolarHBondContact O-CB 3.18Å; D465-E469 WeakPolarHBondContact O-CG 3.23Å
466	Y	76.4	Confident	70.2	Confident	5 Å²	5	58 Å²	58	2%	0.02	30%	0.302	C	S	.	.			trans	-98.1	9.3	-175.9	-67.1	-81.2	0	0	0	114.3	A419 H420 G421 R456 L458 E459 V460 T461 K464 E469	A419-Y466 HydrophobicContact CB-CD2 4.46Å; A419-Y466 HydrophobicContact CB-CE2 4.18Å; H420-Y466 PolarHBondContact O-N 3.28Å; G421-Y466 CarbonylContact O-C 3.5Å; R456-Y466 PolarHBondContact NH1-O 3.45Å; R456-Y466 PolarHBondContact NH2-O 2.97Å; R456-Y466 VanDerWaalsContact NH2-O 3.14Å; L458-Y466 HydrophobicContact CD1-CD1 4.5Å; L458-Y466 HydrophobicContact CD1-CG 4.43Å; L458-Y466 HydrophobicContact CD2-CD1 3.97Å; E459-Y466 PolarHBondContact O-OH 3.1Å; V460-Y466 VanDerWaalsContact CA-OH 3.24Å; V460-Y466 WeakPolarHBondContact CA-OH 3.05Å; V460-Y466 HydrophobicContact CB-CE2 4.21Å; V460-Y466 HydrophobicContact CG1-CD2 4.45Å; V460-Y466 HydrophobicContact CG1-CE2 3.74Å; V460-Y466 HydrophobicContact CG2-CE2 4.2Å; T461-Y466 PolarHBondContact N-OH 3.35Å; T461-Y466 PolarHBondContact OG1-OH 3.45Å; K464-Y466 HydrophobicContact CB-CD2 4.37Å; K464-Y466 HydrophobicContact CB-CE2 3.58Å; Y466-E469 HydrophobicContact CD1-CB 4.11Å; Y466-E469 WeakPolarHBondContact CE1-OE2 3.43Å
467	E	70.4	Confident	69.3	Low	110 Å²	110	58.7 Å²	58.7	51%	0.514	31%	0.311	S	S	.	.	S	Bend	trans	-68.2	-41.1	173.2	-168	171.7	-169.3	0	0	110.8	D465	D465-E467 WeakPolarHBondContact OD1-CB 3.07Å; D465-E467 PolarHBondContact OD1-N 3.18Å
468	N	64.3	Low	67.8	Low	144 Å²	144	62.8 Å²	62.8	77%	0.77	34%	0.339	S	S	*	.	S	Bend	trans	-117.4	-3.8	-177.4	-63.9	-66.9	0	0	0	114.4
469	E	62.2	Low	66.6	Low	61 Å²	61	66 Å²	66	29%	0.285	37%	0.373	S	S	.	.	S	Bend	trans	-74.3	145.7	178.6	-87.3	-171.1	-166.9	0	0	113.1	K464 D465 Y466	K464-E469 WeakPolarHBondContact CD-OE1 3.3Å; K464-E469 WeakPolarHBondContact CD-OE2 3.4Å; K464-E469 IonicContact NZ-OE2 3.57Å; D465-E469 WeakPolarHBondContact O-CB 3.18Å; D465-E469 WeakPolarHBondContact O-CG 3.23Å; Y466-E469 HydrophobicContact CD1-CB 4.11Å; Y466-E469 WeakPolarHBondContact CE1-OE2 3.43Å
470	P	58.3	Low	65.3	Low	113 Å²	113	65.8 Å²	65.8	73%	0.734	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-65.3	140	177.5	28.2	-33.8	0	0	0	110.8
471	S	60.7	Low	64.7	Low	29 Å²	29	66.2 Å²	66.2	20%	0.203	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-63.1	149	171.3	60.1	0	0	0	0	110.6	Y473 D474	S471-Y473 VanDerWaalsContact C-N 3.25Å; S471-D474 WeakPolarHBondContact CB-OD1 3.49Å; S471-D474 PolarHBondContact OG-OD1 2.03Å; S471-D474 PolarHBondContact OG-OD2 3.06Å
472	V	61	Low	64.3	Low	45 Å²	45	67.9 Å²	67.9	27%	0.273	40%	0.398	S	S	.	.	S	Bend	trans	-69.6	-34.5	170.8	179.3	0	0	0	0	110.1	I457 E459 W527	I457-V472 WeakPolarHBondContact O-CB 3.37Å; I457-V472 PolarHBondContact O-N 2.05Å; E459-V472 HydrophobicContact CB-CG2 3.41Å; E459-V472 VanDerWaalsContact CB-CG2 3.41Å; E459-V472 VanDerWaalsContact N-CG2 3.31Å; V472-W527 VanDerWaalsContact CG1-CD1 3.48Å; V472-W527 HydrophobicContact CG1-CG 4.38Å
473	Y	62.3	Low	64.2	Low	53 Å²	53	63.9 Å²	63.9	21%	0.208	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	127.1	176.7	-171.1	-95.8	0	0	0	110.2	I457 S471 L513 E529	I457-Y473 HydrophobicContact CD1-CD1 4.39Å; I457-Y473 PolarHBondContact N-O 3.47Å; S471-Y473 VanDerWaalsContact C-N 3.25Å; Y473-L513 HydrophobicContact CD1-CD1 4.49Å; Y473-L513 HydrophobicContact CD2-CD2 4.28Å; Y473-L513 HydrophobicContact CE2-CD2 4.41Å; Y473-L513 HydrophobicContact CG-CD2 4.33Å; Y473-E529 VanDerWaalsContact OH-CD 3.29Å; Y473-E529 PolarHBondContact OH-OE2 3.28Å
474	D	63	Low	64.6	Low	105 Å²	105	63.7 Å²	63.7	56%	0.561	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	117.2	170.7	-70	-37.7	0	0	0	109.9	S471 Q476	S471-D474 WeakPolarHBondContact CB-OD1 3.49Å; S471-D474 PolarHBondContact OG-OD1 2.03Å; S471-D474 PolarHBondContact OG-OD2 3.06Å; D474-Q476 PolarHBondContact O-N 3.3Å
475	L	63.3	Low	64.9	Low	15 Å²	15	59.7 Å²	59.7	8%	0.079	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	103.9	171.9	-72.2	94.1	0	0	0	109.6	G455 I457 S477 P483 F503	G455-L475 WeakPolarHBondContact O-CA 3.39Å; G455-L475 VanDerWaalsContact O-CB 3.27Å; G455-L475 WeakPolarHBondContact O-CB 3.33Å; G455-L475 WeakPolarHBondContact O-CD1 3.42Å; G455-L475 PolarHBondContact O-N 3.07Å; I457-L475 HydrophobicContact CD1-CD1 3.84Å; I457-L475 HydrophobicContact CD1-CG 4.47Å; I457-L475 HydrophobicContact CG1-CD1 3.72Å; L475-S477 PolarHBondContact O-N 2.93Å; L475-P483 HydrophobicContact CD2-CB 3.95Å; L475-P483 HydrophobicContact CD2-CG 4.28Å; L475-F503 HydrophobicContact CD2-CD2 3.58Å; L475-F503 HydrophobicContact CD2-CE2 3.27Å; L475-F503 HydrophobicContact CD2-CZ 4.08Å; L475-F503 HydrophobicContact CG-CE2 4.05Å; L475-F503 HydrophobicContact CG-CZ 4.4Å
476	Q	57.6	Low	65.3	Low	160 Å²	160	57 Å²	57	75%	0.748	34%	0.343	S	S	*	.			trans	-68.8	103.6	159.7	-65.3	-168.7	-1.2	0	0	108.8	D474 S478 R511	D474-Q476 PolarHBondContact O-N 3.3Å; Q476-S478 PolarHBondContact O-N 3.26Å; Q476-R511 PolarHBondContact O-NH1 2.78Å; Q476-R511 PolarHBondContact O-NH2 3.23Å; Q476-R511 VanDerWaalsContact O-NH2 3.14Å
477	S	52.5	Low	66	Low	37 Å²	37	57.1 Å²	57.1	26%	0.259	34%	0.344	S	S	.	.			trans	-63.6	100.7	177.7	-172.3	0	0	0	0	109.8	S453 L475 G479 G480 A481	S453-S477 WeakPolarHBondContact O-CB 2.98Å; L475-S477 PolarHBondContact O-N 2.93Å; S477-G479 PolarHBondContact O-N 3.29Å; S477-G480 VanDerWaalsContact OG-C 3.31Å; S477-G480 WeakPolarHBondContact OG-CA 3.49Å; S477-G480 PolarHBondContact OG-N 2.94Å; S477-A481 PolarHBondContact OG-N 3.03Å; S477-A481 VanDerWaalsContact OG-N 3.09Å; S477-A481 PolarHBondContact OG-O 2.91Å
478	S	44.8	Very low	66.9	Low	88 Å²	88	52.4 Å²	52.4	62%	0.615	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	94.1	170.4	-158.4	0	0	0	0	106.6	Q476	Q476-S478 PolarHBondContact O-N 3.26Å
479	G	49.8	Very low	68.2	Low	68 Å²	68	45.7 Å²	45.7	70%	0.701	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	108	7.8	-180	0	0	0	0	0	116.5	S477 A481	S477-G479 PolarHBondContact O-N 3.29Å; G479-A481 VanDerWaalsContact C-N 3.34Å; G479-A481 PolarHBondContact O-N 3.5Å
480	G	54.2	Low	69.5	Low	43 Å²	43	45.1 Å²	45.1	44%	0.443	28%	0.281	S	S	.	.	S	Bend	trans	73.5	10.9	167.4	0	0	0	0	0	116.9	S453 S477	S453-G480 VanDerWaalsContact CB-O 3.26Å; S453-G480 WeakPolarHBondContact CB-O 2.99Å; S477-G480 VanDerWaalsContact OG-C 3.31Å; S477-G480 WeakPolarHBondContact OG-CA 3.49Å; S477-G480 PolarHBondContact OG-N 2.94Å
481	A	63.6	Low	70.9	Confident	11 Å²	11	39.9 Å²	39.9	9%	0.091	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-92.1	139.9	174.7	0	0	0	0	0	111.5	S477 G479 D505 R506 N507	S477-A481 PolarHBondContact OG-N 3.03Å; S477-A481 VanDerWaalsContact OG-N 3.09Å; S477-A481 PolarHBondContact OG-O 2.91Å; G479-A481 VanDerWaalsContact C-N 3.34Å; G479-A481 PolarHBondContact O-N 3.5Å; A481-D505 HydrophobicContact CB-CB 4.35Å; A481-R506 HydrophobicContact CB-CB 4.43Å; A481-N507 WeakPolarHBondContact CB-ND2 3.48Å
482	P	71.8	Confident	72.3	Confident	61 Å²	61	40.3 Å²	40.3	40%	0.396	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-70.5	150.5	176.8	28.9	-34	0	0	0	111.4	R506	P482-R506 PolarHBondContact O-N 2.89Å
483	P	77.4	Confident	73.7	Confident	20 Å²	20	38.5 Å²	38.5	13%	0.13	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	141.8	171.6	28.3	-33.4	0	0	0	110.7	T445 L475	T445-P483 HydrophobicContact CG2-CB 4.15Å; L475-P483 HydrophobicContact CD2-CB 3.95Å; L475-P483 HydrophobicContact CD2-CG 4.28Å
484	V	84.1	Confident	74.9	Confident	30 Å²	30	36 Å²	36	18%	0.182	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-27.8	174.6	177.2	0	0	0	0	110.6	R427 G504 R506 V547	R427-V484 PolarHBondContact N-O 3.11Å; R427-V484 VanDerWaalsContact N-O 3.08Å; V484-G504 PolarHBondContact N-O 2.77Å; V484-R506 HydrophobicContact CG2-CB 4.03Å; V484-V547 HydrophobicContact CG1-CG1 4.33Å
485	G	86.3	Confident	75.9	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.1	-172.4	-176.6	0	0	0	0	0	112.9	R427 T445 F503 G504 F550	R427-G485 WeakPolarHBondContact O-CA 3.44Å; T445-G485 WeakPolarHBondContact OG1-CA 3.38Å; G485-F503 WeakPolarHBondContact O-CA 3.26Å; G485-G504 PolarHBondContact O-N 2.9Å; G485-F550 WeakPolarHBondContact O-CE2 2.97Å
486	G	88	Confident	76.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	176.7	176.1	0	0	0	0	0	114.4	R427 V502	R427-G486 PolarHBondContact NH1-O 2.04Å; R427-G486 PolarHBondContact O-N 3.34Å; G486-V502 CarbonylContact C-O 3.57Å; G486-V502 WeakPolarHBondContact CA-O 3.49Å
487	F	90.6	Very high	78.3	Confident	6 Å²	6	31.9 Å²	31.9	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151.8	176.6	60.2	-94.7	0	0	0	110.2	V502 F550 V558 L578	F487-V502 HydrophobicContact CD2-CB 4.18Å; F487-V502 HydrophobicContact CE1-CB 4.06Å; F487-V502 HydrophobicContact CE1-CG1 4Å; F487-V502 HydrophobicContact CE2-CB 3.66Å; F487-V502 HydrophobicContact CE2-CG1 4.22Å; F487-V502 HydrophobicContact CE2-CG2 3.88Å; F487-V502 HydrophobicContact CZ-CB 3.6Å; F487-V502 HydrophobicContact CZ-CG1 3.65Å; F487-V502 HydrophobicContact CZ-CG2 4.15Å; F487-V502 PolarHBondContact N-O 3.39Å; F487-V502 PolarHBondContact O-N 3.28Å; F487-F550 HydrophobicContact CD1-CB 4.08Å; F487-F550 AromaticContact CD1-CD1 3.69Å; F487-F550 HydrophobicContact CD1-CD1 3.69Å; F487-F550 HydrophobicContact CD1-CD2 4.35Å; F487-F550 HydrophobicContact CD1-CE1 4.19Å; F487-F550 AromaticContact CD1-CG 3.78Å; F487-F550 HydrophobicContact CD1-CG 3.78Å; F487-F550 AromaticContact CE1-CD1 3.56Å; F487-F550 HydrophobicContact CE1-CD1 3.56Å; F487-F550 AromaticContact CE1-CE1 3.79Å; F487-F550 HydrophobicContact CE1-CE1 3.79Å; F487-F550 HydrophobicContact CE1-CG 4.15Å; F487-V558 HydrophobicContact CD2-CB 4.22Å; F487-V558 HydrophobicContact CD2-CG1 3.67Å; F487-V558 HydrophobicContact CD2-CG2 4.35Å; F487-V558 HydrophobicContact CE2-CB 3.98Å; F487-V558 HydrophobicContact CE2-CG1 3.81Å; F487-V558 HydrophobicContact CE2-CG2 3.63Å; F487-V558 HydrophobicContact CG-CG1 4.32Å; F487-V558 HydrophobicContact CZ-CB 4.27Å; F487-V558 HydrophobicContact CZ-CG2 3.81Å; F487-L578 HydrophobicContact CZ-CD2 4.34Å
488	I	90.4	Very high	80	Confident	12 Å²	12	36 Å²	36	6%	0.062	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.5	169.2	-62.5	167.3	0	0	0	106.6	V429 D431 R490 Y501	V429-I488 HydrophobicContact CG1-CD1 3.95Å; V429-I488 HydrophobicContact CG1-CG1 3.8Å; V429-I488 HydrophobicContact CG2-CB 4.25Å; V429-I488 HydrophobicContact CG2-CD1 4.13Å; V429-I488 HydrophobicContact CG2-CG1 4.05Å; D431-I488 HydrophobicContact CB-CD1 3.62Å; I488-R490 HydrophobicContact CG2-CG 4.21Å; I488-R490 PolarHBondContact O-N 3.31Å; I488-Y501 HydrophobicContact CG1-CD2 3.9Å
489	Y	90.9	Very high	81.9	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.008	20%	0.197	C	C	.	.			trans	-78.6	115.2	180	-177.4	-91.6	0	0	0	110.4	G491 Q493 S494 L497 G499 S500 E557 V558	Y489-G491 WeakPolarHBondContact CE1-O 3.49Å; Y489-Q493 PolarHBondContact OH-N 3.35Å; Y489-S494 WeakPolarHBondContact CE1-O 3.27Å; Y489-S494 WeakPolarHBondContact OH-CB 2.99Å; Y489-S494 PolarHBondContact OH-N 2.88Å; Y489-L497 HydrophobicContact CD1-CB 3.66Å; Y489-L497 HydrophobicContact CD1-CD2 4.18Å; Y489-L497 HydrophobicContact CD1-CG 3.95Å; Y489-L497 HydrophobicContact CD2-CD2 3.77Å; Y489-L497 HydrophobicContact CD2-CG 4.36Å; Y489-L497 HydrophobicContact CE1-CB 4.12Å; Y489-L497 HydrophobicContact CE2-CD2 4.34Å; Y489-L497 HydrophobicContact CG-CB 3.99Å; Y489-L497 HydrophobicContact CG-CD2 3.67Å; Y489-L497 HydrophobicContact CG-CG 3.73Å; Y489-G499 PolarHBondContact O-N 3.37Å; Y489-S500 PolarHBondContact N-O 3.28Å; Y489-E557 PolarHBondContact OH-OE1 3.5Å; Y489-E557 PolarHBondContact OH-OE2 2.05Å; Y489-V558 HydrophobicContact CD2-CB 4.41Å; Y489-V558 HydrophobicContact CD2-CG1 3.81Å; Y489-V558 HydrophobicContact CD2-CG2 3.78Å; Y489-V558 HydrophobicContact CE2-CG1 4.43Å; Y489-V558 HydrophobicContact CE2-CG2 4.1Å
490	R	88.9	Confident	83.7	Confident	49 Å²	49	30.4 Å²	30.4	19%	0.185	17%	0.165	C	C	.	.			trans	-117.8	15.6	174.8	-61.1	-63.9	-178	-161	-6.1	112.6	D431 I488 Y498	D431-R490 IonicContact OD1-CZ 3.78Å; D431-R490 IonicContact OD1-NE 3.9Å; D431-R490 IonicContact OD1-NH2 2.75Å; D431-R490 PolarHBondContact OD1-NH2 2.99Å; D431-R490 IonicContact OD2-NH2 3.45Å; D431-R490 PolarHBondContact OD2-NH2 2.71Å; I488-R490 HydrophobicContact CG2-CG 4.21Å; I488-R490 PolarHBondContact O-N 3.31Å; R490-Y498 HydrophobicContact CB-CE2 4.41Å
491	G	88.6	Confident	85.3	Confident	3 Å²	3	28.7 Å²	28.7	3%	0.031	15%	0.145	C	C	.	.			trans	-69.4	168.5	177.5	0	0	0	0	0	113.6	Y489 G556	Y489-G491 WeakPolarHBondContact CE1-O 3.49Å; G491-G556 WeakPolarHBondContact CA-O 3.5Å; G491-G556 PolarHBondContact N-O 3.2Å
492	C	88.9	Confident	86.5	Confident	38 Å²	38	28.2 Å²	28.2	26%	0.257	14%	0.14	S	C	.	.	S	Bend	trans	-100.1	-27.5	-175.2	179.9	0	0	0	0	112.5	S494 E557 R583 C590	C492-S494 PolarHBondContact O-N 3.23Å; C492-E557 PolarHBondContact N-OE1 2.9Å; C492-R583 PolarHBondContact O-NH1 3.36Å; C492-C590 HydrophobicContact CB-CB 3.69Å; C492-C590 WeakPolarHBondContact CB-SG 3.47Å; C492-C590 PolarHBondContact O-SG 3.35Å; C492-C590 VanDerWaalsContact O-SG 3.41Å; C492-C590 WeakPolarHBondContact SG-CA 3.25Å; C492-C590 WeakPolarHBondContact SG-CB 3.25Å; C492-C590 CovalentContact SG-SG 2.03Å; C492-C590 PolarHBondContact SG-SG 3.45Å
493	Q	89.8	Confident	87.3	Confident	7 Å²	7	25.5 Å²	25.5	3%	0.033	12%	0.122	C	C	.	.	S	Bend	trans	-63.7	-41.6	-175.6	-165.9	-82.9	-24.2	0	0	112.1	Y489 E557 D580 R583 P584	Y489-Q493 PolarHBondContact OH-N 3.35Å; Q493-E557 WeakPolarHBondContact CB-OE1 3.29Å; Q493-E557 WeakPolarHBondContact CB-OE2 3.4Å; Q493-E557 PolarHBondContact N-OE1 3.08Å; Q493-D580 PolarHBondContact NE2-O 2.83Å; Q493-D580 VanDerWaalsContact OE1-CB 3.31Å; Q493-R583 VanDerWaalsContact O-CD 3.3Å; Q493-R583 WeakPolarHBondContact O-CD 3.38Å; Q493-P584 PolarHBondContact NE2-O 3.24Å
494	S	88.6	Confident	87.6	Confident	2 Å²	2	24.5 Å²	24.5	1%	0.014	12%	0.116	C	C	.	.			trans	-111.5	97.3	-176.7	-179.1	0	0	0	0	112.6	Y489 C492 R496 L497 Y498	Y489-S494 WeakPolarHBondContact CE1-O 3.27Å; Y489-S494 WeakPolarHBondContact OH-CB 2.99Å; Y489-S494 PolarHBondContact OH-N 2.88Å; C492-S494 PolarHBondContact O-N 3.23Å; S494-R496 VanDerWaalsContact C-N 3.28Å; S494-R496 PolarHBondContact O-N 2.89Å; S494-L497 PolarHBondContact O-N 3.29Å; S494-L497 WeakPolarHBondContact OG-CB 3.49Å; S494-L497 PolarHBondContact OG-N 2.84Å; S494-Y498 PolarHBondContact O-N 2.79Å
495	R	83.9	Confident	87.6	Confident	108 Å²	108	23.7 Å²	23.7	41%	0.408	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-32.5	176.4	-69.4	-176.6	-174.7	-178.2	5.2	113.2	L497 Y498 E589	R495-L497 VanDerWaalsContact C-N 3.31Å; R495-L497 PolarHBondContact O-N 3.26Å; R495-Y498 WeakPolarHBondContact O-CB 3.41Å; R495-Y498 PolarHBondContact O-N 2.92Å; R495-E589 IonicContact CZ-OE1 2.71Å; R495-E589 IonicContact NE-OE1 3.85Å; R495-E589 PolarHBondContact NE-OE1 2.88Å; R495-E589 VanDerWaalsContact NH2-CD 3.25Å; R495-E589 IonicContact NH2-OE1 3.2Å; R495-E589 PolarHBondContact NH2-OE1 3.46Å; R495-E589 IonicContact NH2-OE2 3.67Å; R495-E589 PolarHBondContact NH2-OE2 2.83Å
496	R	84.9	Confident	87.4	Confident	84 Å²	84	27.4 Å²	27.4	32%	0.317	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-18.2	-177.7	60.8	165	177.5	130.8	-5.7	114.3	N208 C209 Y210 S494 D580	N208-R496 PolarHBondContact O-NH1 3.5Å; N208-R496 PolarHBondContact O-NH2 3.24Å; C209-R496 PolarHBondContact O-NH2 3.07Å; Y210-R496 HydrophobicContact CE1-CG 4.43Å; Y210-R496 VanDerWaalsContact CE2-CZ 3.47Å; Y210-R496 WeakPolarHBondContact OH-CD 3.09Å; Y210-R496 WeakPolarHBondContact OH-CG 3.41Å; Y210-R496 VanDerWaalsContact OH-CZ 3.26Å; Y210-R496 PolarHBondContact OH-NE 3.15Å; Y210-R496 PolarHBondContact OH-NH1 3.18Å; Y210-R496 VanDerWaalsContact OH-NH1 3.11Å; S494-R496 VanDerWaalsContact C-N 3.28Å; S494-R496 PolarHBondContact O-N 2.89Å; R496-D580 WeakPolarHBondContact CG-OD2 3.48Å; R496-D580 IonicContact CZ-OD1 3.47Å; R496-D580 IonicContact CZ-OD2 2.71Å; R496-D580 IonicContact NE-OD1 2.84Å; R496-D580 PolarHBondContact NE-OD1 3.36Å; R496-D580 IonicContact NE-OD2 3.52Å; R496-D580 PolarHBondContact NE-OD2 2.82Å; R496-D580 IonicContact NH2-OD1 3.7Å; R496-D580 PolarHBondContact NH2-OD1 3.42Å; R496-D580 IonicContact NH2-OD2 3.58Å
497	L	87.1	Confident	87.1	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-13.4	176.6	-162.6	61.5	0	0	0	111.3	Y210 Y489 S494 R495 G499 S500 V502 I512 L532 L578	Y210-L497 HydrophobicContact CE1-CB 4.26Å; Y210-L497 HydrophobicContact CE1-CD2 4.2Å; Y210-L497 HydrophobicContact CE2-CD1 4.32Å; Y210-L497 WeakPolarHBondContact OH-CB 3.19Å; Y489-L497 HydrophobicContact CD1-CB 3.66Å; Y489-L497 HydrophobicContact CD1-CD2 4.18Å; Y489-L497 HydrophobicContact CD1-CG 3.95Å; Y489-L497 HydrophobicContact CD2-CD2 3.77Å; Y489-L497 HydrophobicContact CD2-CG 4.36Å; Y489-L497 HydrophobicContact CE1-CB 4.12Å; Y489-L497 HydrophobicContact CE2-CD2 4.34Å; Y489-L497 HydrophobicContact CG-CB 3.99Å; Y489-L497 HydrophobicContact CG-CD2 3.67Å; Y489-L497 HydrophobicContact CG-CG 3.73Å; S494-L497 PolarHBondContact O-N 3.29Å; S494-L497 WeakPolarHBondContact OG-CB 3.49Å; S494-L497 PolarHBondContact OG-N 2.84Å; R495-L497 VanDerWaalsContact C-N 3.31Å; R495-L497 PolarHBondContact O-N 3.26Å; L497-G499 PolarHBondContact O-N 2.69Å; L497-S500 WeakPolarHBondContact O-CB 3.34Å; L497-S500 PolarHBondContact O-N 3.07Å; L497-S500 PolarHBondContact O-OG 3.23Å; L497-V502 HydrophobicContact CD1-CG2 3.71Å; L497-V502 HydrophobicContact CD2-CG2 4.47Å; L497-V502 HydrophobicContact CG-CG2 4.29Å; L497-I512 HydrophobicContact CD1-CD1 3.94Å; L497-L532 HydrophobicContact CD1-CD1 4.04Å; L497-L578 HydrophobicContact CD2-CD2 3.86Å
498	Y	88.3	Confident	86.6	Confident	124 Å²	124	31.4 Å²	31.4	49%	0.486	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	124.7	-176.5	-170.7	-94.2	0	0	0	111.8	R490 S494 R495 S500	R490-Y498 HydrophobicContact CB-CE2 4.41Å; S494-Y498 PolarHBondContact O-N 2.79Å; R495-Y498 WeakPolarHBondContact O-CB 3.41Å; R495-Y498 PolarHBondContact O-N 2.92Å; Y498-S500 PolarHBondContact O-N 2.81Å
499	G	84.7	Confident	86.3	Confident	35 Å²	35	34.7 Å²	34.7	36%	0.361	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	8.9	-179.9	0	0	0	0	0	116.5	Y489 L497	Y489-G499 PolarHBondContact O-N 3.37Å; L497-G499 PolarHBondContact O-N 2.69Å
500	S	86.8	Confident	86.1	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.021	17%	0.167	C	C	.	.			trans	-87.2	138.9	171.4	-51.9	0	0	0	0	110.5	Y489 L497 Y498 I512 Q514	Y489-S500 PolarHBondContact N-O 3.28Å; L497-S500 WeakPolarHBondContact O-CB 3.34Å; L497-S500 PolarHBondContact O-N 3.07Å; L497-S500 PolarHBondContact O-OG 3.23Å; Y498-S500 PolarHBondContact O-N 2.81Å; S500-I512 VanDerWaalsContact CB-CG2 3.45Å; S500-Q514 PolarHBondContact OG-NE2 2.84Å
501	Y	87.9	Confident	85.9	Confident	7 Å²	7	34.3 Å²	34.3	3%	0.027	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	122.9	168.5	178.6	-118.6	0	0	0	108.6	V429 L443 I457 I488 F503 I512 L513	V429-Y501 HydrophobicContact CG1-CD2 3.86Å; V429-Y501 HydrophobicContact CG1-CE2 3.5Å; V429-Y501 VanDerWaalsContact CG1-CE2 3.5Å; L443-Y501 HydrophobicContact CB-CE2 4.11Å; L443-Y501 HydrophobicContact CD1-CD1 4.2Å; L443-Y501 HydrophobicContact CD1-CD2 3.95Å; L443-Y501 HydrophobicContact CD1-CE2 4.32Å; L443-Y501 HydrophobicContact CD1-CG 3.88Å; I457-Y501 HydrophobicContact CD1-CE1 3.85Å; I457-Y501 HydrophobicContact CG1-CE1 4.26Å; I457-Y501 HydrophobicContact CG2-CE1 4.38Å; I488-Y501 HydrophobicContact CG1-CD2 3.9Å; Y501-F503 HydrophobicContact CD1-CD1 4.42Å; Y501-F503 HydrophobicContact CE1-CB 4.12Å; Y501-F503 HydrophobicContact CE1-CD1 4.19Å; Y501-I512 CarbonylContact O-C 3.46Å; Y501-I512 WeakPolarHBondContact O-CA 3.14Å; Y501-L513 HydrophobicContact CD1-CB 4.12Å; Y501-L513 HydrophobicContact CD1-CD1 3.92Å; Y501-L513 HydrophobicContact CE1-CD1 4.21Å; Y501-L513 PolarHBondContact N-O 3.29Å; Y501-L513 PolarHBondContact O-N 2.81Å
502	V	89.1	Confident	85.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128	179	-176.3	0	0	0	0	108.1	G486 F487 L497 L510 R511 I512 L532	G486-V502 CarbonylContact C-O 3.57Å; G486-V502 WeakPolarHBondContact CA-O 3.49Å; F487-V502 HydrophobicContact CD2-CB 4.18Å; F487-V502 HydrophobicContact CE1-CB 4.06Å; F487-V502 HydrophobicContact CE1-CG1 4Å; F487-V502 HydrophobicContact CE2-CB 3.66Å; F487-V502 HydrophobicContact CE2-CG1 4.22Å; F487-V502 HydrophobicContact CE2-CG2 3.88Å; F487-V502 HydrophobicContact CZ-CB 3.6Å; F487-V502 HydrophobicContact CZ-CG1 3.65Å; F487-V502 HydrophobicContact CZ-CG2 4.15Å; F487-V502 PolarHBondContact N-O 3.39Å; F487-V502 PolarHBondContact O-N 3.28Å; L497-V502 HydrophobicContact CD1-CG2 3.71Å; L497-V502 HydrophobicContact CD2-CG2 4.47Å; L497-V502 HydrophobicContact CG-CG2 4.29Å; V502-L510 HydrophobicContact CG1-CB 4.3Å; V502-L510 HydrophobicContact CG1-CD1 4.46Å; V502-R511 VanDerWaalsContact CA-O 3.3Å; V502-R511 WeakPolarHBondContact CA-O 3.44Å; V502-I512 HydrophobicContact CG2-CG1 4.5Å; V502-L532 HydrophobicContact CG1-CD1 3.89Å; V502-L532 HydrophobicContact CG2-CD1 4.22Å
503	F	87.3	Confident	85.5	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	158	173.5	68.9	-89.3	0	0	0	110.4	I457 L475 G485 Y501 L510 R511 L513	I457-F503 HydrophobicContact CD1-CD1 4.1Å; I457-F503 HydrophobicContact CD1-CE1 4.24Å; I457-F503 HydrophobicContact CD1-CG 4.45Å; L475-F503 HydrophobicContact CD2-CD2 3.58Å; L475-F503 HydrophobicContact CD2-CE2 3.27Å; L475-F503 HydrophobicContact CD2-CZ 4.08Å; L475-F503 HydrophobicContact CG-CE2 4.05Å; L475-F503 HydrophobicContact CG-CZ 4.4Å; G485-F503 WeakPolarHBondContact O-CA 3.26Å; Y501-F503 HydrophobicContact CD1-CD1 4.42Å; Y501-F503 HydrophobicContact CE1-CB 4.12Å; Y501-F503 HydrophobicContact CE1-CD1 4.19Å; F503-L510 WeakPolarHBondContact O-CA 3.04Å; F503-R511 HydrophobicContact CD1-CB 4.32Å; F503-R511 HydrophobicContact CD2-CB 4.47Å; F503-R511 HydrophobicContact CE1-CB 3.7Å; F503-R511 HydrophobicContact CE2-CB 3.86Å; F503-R511 HydrophobicContact CE2-CG 4.11Å; F503-R511 HydrophobicContact CZ-CB 3.48Å; F503-R511 VanDerWaalsContact CZ-CB 3.48Å; F503-R511 HydrophobicContact CZ-CG 4.08Å; F503-R511 PolarHBondContact N-O 2.96Å; F503-R511 PolarHBondContact O-N 2.81Å; F503-L513 HydrophobicContact CD1-CD1 3.69Å; F503-L513 HydrophobicContact CD1-CG 4.19Å; F503-L513 HydrophobicContact CE1-CD1 3.39Å; F503-L513 HydrophobicContact CE1-CG 3.67Å; F503-L513 HydrophobicContact CZ-CD1 4.42Å
504	G	85.5	Confident	84.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	148.5	-177.3	0	0	0	0	0	113.7	V484 G485 N509 L510	V484-G504 PolarHBondContact N-O 2.77Å; G485-G504 PolarHBondContact O-N 2.9Å; G504-N509 WeakPolarHBondContact CA-O 3.45Å; G504-L510 VanDerWaalsContact CA-CD2 3.46Å
505	D	83.6	Confident	83.9	Confident	13 Å²	13	42.1 Å²	42.1	7%	0.07	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	170.5	168.9	72.6	11.6	0	0	0	112	A481 N507 G508 N509	A481-D505 HydrophobicContact CB-CB 4.35Å; D505-N507 PolarHBondContact O-N 2.97Å; D505-N507 VanDerWaalsContact O-N 3.15Å; D505-N507 WeakPolarHBondContact OD1-CA 3.06Å; D505-N507 WeakPolarHBondContact OD1-CB 3.45Å; D505-N507 PolarHBondContact OD1-N 3.15Å; D505-G508 PolarHBondContact O-N 2.8Å; D505-G508 VanDerWaalsContact O-N 3.12Å; D505-G508 PolarHBondContact OD1-N 3.35Å; D505-N509 PolarHBondContact N-O 3.02Å; D505-N509 WeakPolarHBondContact OD1-CB 3.03Å; D505-N509 PolarHBondContact OD1-N 2.8Å; D505-N509 WeakPolarHBondContact OD2-CB 3.08Å; D505-N509 PolarHBondContact OD2-ND2 3.18Å
506	R	82.1	Confident	82.9	Confident	78 Å²	78	38 Å²	38	29%	0.294	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.7	177.4	-170.5	173.3	177.5	176.8	1	113.7	A481 P482 V484 H546 V547	A481-R506 HydrophobicContact CB-CB 4.43Å; P482-R506 PolarHBondContact O-N 2.89Å; V484-R506 HydrophobicContact CG2-CB 4.03Å; R506-H546 HydrophobicContact CG-CB 3.96Å; R506-H546 CarbonylContact O-C 3.55Å; R506-H546 WeakPolarHBondContact O-CA 3.48Å; R506-H546 WeakPolarHBondContact O-CB 3.36Å; R506-H546 PolarHBondContact O-ND1 2.63Å; R506-V547 PolarHBondContact O-N 3.26Å
507	N	82	Confident	81.5	Confident	79 Å²	79	39.6 Å²	39.6	42%	0.422	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.6	-179.9	-66.9	-19.6	0	0	0	112.8	A481 D505	A481-N507 WeakPolarHBondContact CB-ND2 3.48Å; D505-N507 PolarHBondContact O-N 2.97Å; D505-N507 VanDerWaalsContact O-N 3.15Å; D505-N507 WeakPolarHBondContact OD1-CA 3.06Å; D505-N507 WeakPolarHBondContact OD1-CB 3.45Å; D505-N507 PolarHBondContact OD1-N 3.15Å
508	G	79.8	Confident	79.8	Confident	10 Å²	10	48.7 Å²	48.7	10%	0.103	24%	0.244	C	C	.	.			trans	86.7	15.1	-179.7	0	0	0	0	0	114.3	D505 L510	D505-G508 PolarHBondContact O-N 2.8Å; D505-G508 VanDerWaalsContact O-N 3.12Å; D505-G508 PolarHBondContact OD1-N 3.35Å; G508-L510 PolarHBondContact O-N 3.26Å
509	N	83.6	Confident	77.7	Confident	82 Å²	82	44.9 Å²	44.9	44%	0.439	24%	0.239	S	C	.	.			trans	-78.3	106	169.2	-56.2	-49.8	0	0	0	108.5	G504 D505	G504-N509 WeakPolarHBondContact CA-O 3.45Å; D505-N509 PolarHBondContact N-O 3.02Å; D505-N509 WeakPolarHBondContact OD1-CB 3.03Å; D505-N509 PolarHBondContact OD1-N 2.8Å; D505-N509 WeakPolarHBondContact OD2-CB 3.08Å; D505-N509 PolarHBondContact OD2-ND2 3.18Å
510	L	86.3	Confident	75.6	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	142.9	176.1	-60.3	-171.8	0	0	0	110.8	V502 F503 G504 G508 L532 L534 F550 I560	V502-L510 HydrophobicContact CG1-CB 4.3Å; V502-L510 HydrophobicContact CG1-CD1 4.46Å; F503-L510 WeakPolarHBondContact O-CA 3.04Å; G504-L510 VanDerWaalsContact CA-CD2 3.46Å; G508-L510 PolarHBondContact O-N 3.26Å; L510-L532 HydrophobicContact CB-CB 3.88Å; L510-L532 HydrophobicContact CB-CD2 4.09Å; L510-L532 HydrophobicContact CB-CG 4.38Å; L510-L532 HydrophobicContact CD1-CD2 4.18Å; L510-L532 WeakPolarHBondContact O-CA 3.5Å; L510-L532 WeakPolarHBondContact O-CB 3.39Å; L510-L532 PolarHBondContact O-N 3.09Å; L510-L534 HydrophobicContact CD1-CD1 3.75Å; L510-L534 HydrophobicContact CD1-CD2 4.16Å; L510-L534 HydrophobicContact CD1-CG 4.2Å; L510-L534 HydrophobicContact CG-CD1 3.88Å; L510-L534 HydrophobicContact CG-CG 4.49Å; L510-F550 HydrophobicContact CD2-CE1 4.06Å; L510-F550 HydrophobicContact CD2-CZ 4.1Å; L510-I560 HydrophobicContact CD1-CD1 3.89Å
511	R	85.9	Confident	73.7	Confident	37 Å²	37	54.2 Å²	54.2	14%	0.14	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153.4	178.4	-51.4	-167.9	-167.4	175.2	5.5	110	Q476 V502 F503 E529	Q476-R511 PolarHBondContact O-NH1 2.78Å; Q476-R511 PolarHBondContact O-NH2 3.23Å; Q476-R511 VanDerWaalsContact O-NH2 3.14Å; V502-R511 VanDerWaalsContact CA-O 3.3Å; V502-R511 WeakPolarHBondContact CA-O 3.44Å; F503-R511 HydrophobicContact CD1-CB 4.32Å; F503-R511 HydrophobicContact CD2-CB 4.47Å; F503-R511 HydrophobicContact CE1-CB 3.7Å; F503-R511 HydrophobicContact CE2-CB 3.86Å; F503-R511 HydrophobicContact CE2-CG 4.11Å; F503-R511 HydrophobicContact CZ-CB 3.48Å; F503-R511 VanDerWaalsContact CZ-CB 3.48Å; F503-R511 HydrophobicContact CZ-CG 4.08Å; F503-R511 PolarHBondContact N-O 2.96Å; F503-R511 PolarHBondContact O-N 2.81Å; R511-E529 HydrophobicContact CB-CG 4.5Å; R511-E529 WeakPolarHBondContact CD-OE1 3.18Å; R511-E529 IonicContact CZ-OE1 2.91Å; R511-E529 IonicContact NE-OE1 3.81Å; R511-E529 IonicContact NH1-OE1 3.3Å; R511-E529 PolarHBondContact NH1-OE1 2.96Å; R511-E529 IonicContact NH1-OE2 3.54Å
512	I	86.3	Confident	71.7	Confident	13 Å²	13	58.6 Å²	58.6	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.8	-176.9	-47.2	-174.7	0	0	0	108.2	L497 S500 Y501 V502 Q514 E529 K530 L532	L497-I512 HydrophobicContact CD1-CD1 3.94Å; S500-I512 VanDerWaalsContact CB-CG2 3.45Å; Y501-I512 CarbonylContact O-C 3.46Å; Y501-I512 WeakPolarHBondContact O-CA 3.14Å; V502-I512 HydrophobicContact CG2-CG1 4.5Å; I512-Q514 HydrophobicContact CG2-CG 4.01Å; I512-E529 CarbonylContact O-C 3.56Å; I512-E529 WeakPolarHBondContact O-CA 3.37Å; I512-K530 HydrophobicContact CB-CB 4.43Å; I512-K530 WeakPolarHBondContact CB-O 3.04Å; I512-K530 PolarHBondContact N-O 2.96Å; I512-K530 PolarHBondContact O-N 3.3Å; I512-L532 HydrophobicContact CD1-CB 4.14Å; I512-L532 HydrophobicContact CD1-CD1 3.92Å; I512-L532 HydrophobicContact CD1-CG 4.18Å; I512-L532 HydrophobicContact CG1-CB 3.81Å; I512-L532 HydrophobicContact CG1-CD1 3.91Å; I512-L532 HydrophobicContact CG1-CG 4.26Å
513	L	81.8	Confident	69.4	Low	5 Å²	5	64.2 Å²	64.2	3%	0.026	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.1	166.3	-75.1	159.5	0	0	0	109.7	I457 Y473 Y501 F503 W527 E529	I457-L513 HydrophobicContact CD1-CD1 3.23Å; Y473-L513 HydrophobicContact CD1-CD1 4.49Å; Y473-L513 HydrophobicContact CD2-CD2 4.28Å; Y473-L513 HydrophobicContact CE2-CD2 4.41Å; Y473-L513 HydrophobicContact CG-CD2 4.33Å; Y501-L513 HydrophobicContact CD1-CB 4.12Å; Y501-L513 HydrophobicContact CD1-CD1 3.92Å; Y501-L513 HydrophobicContact CE1-CD1 4.21Å; Y501-L513 PolarHBondContact N-O 3.29Å; Y501-L513 PolarHBondContact O-N 2.81Å; F503-L513 HydrophobicContact CD1-CD1 3.69Å; F503-L513 HydrophobicContact CD1-CG 4.19Å; F503-L513 HydrophobicContact CE1-CD1 3.39Å; F503-L513 HydrophobicContact CE1-CG 3.67Å; F503-L513 HydrophobicContact CZ-CD1 4.42Å; L513-W527 HydrophobicContact CB-CE3 4.15Å; L513-W527 HydrophobicContact CD2-CB 4.23Å; L513-E529 HydrophobicContact CD2-CB 4.11Å
514	Q	77.1	Confident	67.3	Low	84 Å²	84	70.1 Å²	70.1	39%	0.393	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.5	175.8	-66.9	-176.2	-30.6	0	0	109.2	S500 I512 Q528	S500-Q514 PolarHBondContact OG-NE2 2.84Å; I512-Q514 HydrophobicContact CG2-CG 4.01Å; Q514-Q528 PolarHBondContact N-O 3.01Å; Q514-Q528 PolarHBondContact O-N 3.29Å
515	K	68.9	Low	65.4	Low	113 Å²	113	77.9 Å²	77.9	49%	0.491	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.1	175.1	-163.6	167.7	-174.3	165.4	0	108.9	Q526 W527	K515-Q526 WeakPolarHBondContact CA-O 3.34Å; K515-W527 HydrophobicContact CB-CD2 4.47Å; K515-W527 HydrophobicContact CB-CE3 4.07Å; K515-W527 HydrophobicContact CB-CH2 4.01Å; K515-W527 HydrophobicContact CB-CZ2 4.39Å; K515-W527 HydrophobicContact CB-CZ3 3.83Å; K515-W527 HydrophobicContact CD-CH2 4.35Å; K515-W527 HydrophobicContact CD-CZ2 4.15Å; K515-W527 HydrophobicContact CG-CH2 4.47Å; K515-W527 HydrophobicContact CG-CZ2 4.38Å
516	S	61.3	Low	64.3	Low	20 Å²	20	79.9 Å²	79.9	14%	0.14	44%	0.442	C	S	.	.			trans	-70.8	128.2	178.9	64.1	0	0	0	0	109.4	F518 A519 E525 Q526	S516-F518 PolarHBondContact O-N 2.91Å; S516-F518 VanDerWaalsContact O-N 3.16Å; S516-A519 WeakPolarHBondContact OG-CB 3.41Å; S516-E525 PolarHBondContact OG-O 3.16Å; S516-Q526 PolarHBondContact N-O 3.39Å; S516-Q526 PolarHBondContact OG-O 3.41Å
517	P	56.5	Low	63.6	Low	119 Å²	119	78.6 Å²	78.6	77%	0.773	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-4.4	-176.8	25.5	-31.3	0	0	0	113.9
518	F	52	Low	63.2	Low	191 Å²	191	81 Å²	81	84%	0.838	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	2.4	-175.3	-65.9	-76.3	0	0	0	114.5	S516 T520	S516-F518 PolarHBondContact O-N 2.91Å; S516-F518 VanDerWaalsContact O-N 3.16Å; F518-T520 PolarHBondContact O-N 2.86Å
519	A	44.1	Very low	63.1	Low	45 Å²	45	84 Å²	84	37%	0.372	46%	0.458	S	S	.	.			trans	-79.6	111.4	-177.7	0	0	0	0	0	112.1	S516 Q526	S516-A519 WeakPolarHBondContact OG-CB 3.41Å; A519-Q526 HydrophobicContact CB-CB 4.5Å; A519-Q526 HydrophobicContact CB-CG 3.81Å
520	T	39.9	Very low	63.1	Low	118 Å²	118	86 Å²	86	72%	0.724	46%	0.462	S	S	*	.			trans	-74.6	153.9	161.2	41.1	0	0	0	0	110.9	F518 S522	F518-T520 PolarHBondContact O-N 2.86Å; T520-S522 VanDerWaalsContact C-N 3.26Å; T520-S522 PolarHBondContact O-N 2.77Å
521	S	47.4	Very low	62.9	Low	115 Å²	115	89.6 Å²	89.6	80%	0.804	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	28.8	-156.9	57.1	0	0	0	0	119.1
522	S	45.9	Very low	62.8	Low	99 Å²	99	88.3 Å²	88.3	69%	0.692	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.2	1	-175.2	62.5	0	0	0	0	118.1	T520	T520-S522 VanDerWaalsContact C-N 3.26Å; T520-S522 PolarHBondContact O-N 2.77Å
523	D	39.6	Very low	62.6	Low	118 Å²	118	90 Å²	90	63%	0.631	50%	0.502	S	S	*	.			trans	-118.9	141.4	175.9	-76.4	-34	0	0	0	112.4	E525	D523-E525 PolarHBondContact O-N 3.12Å
524	S	42.7	Very low	62.5	Low	128 Å²	128	91.9 Å²	91.9	90%	0.895	51%	0.511	S	S	*	.	S	Bend	trans	-62.7	1.6	178.3	44.4	0	0	0	0	115	Q526	S524-Q526 PolarHBondContact O-N 3.42Å
525	E	46.6	Very low	62	Low	163 Å²	163	89.1 Å²	89.1	76%	0.762	51%	0.505	S	S	*	.			trans	-95.2	37.3	176.7	-67.4	-167.5	157	0	0	113.4	S516 D523 W527	S516-E525 PolarHBondContact OG-O 3.16Å; D523-E525 PolarHBondContact O-N 3.12Å; E525-W527 VanDerWaalsContact C-N 3.31Å
526	Q	61.2	Low	61.3	Low	55 Å²	55	85.6 Å²	85.6	26%	0.257	50%	0.495	S	S	.	.			trans	-73.4	-21.6	175.9	-75.9	-171.9	0.1	0	0	113.7	K515 S516 A519 S524	K515-Q526 WeakPolarHBondContact CA-O 3.34Å; S516-Q526 PolarHBondContact N-O 3.39Å; S516-Q526 PolarHBondContact OG-O 3.41Å; A519-Q526 HydrophobicContact CB-CB 4.5Å; A519-Q526 HydrophobicContact CB-CG 3.81Å; S524-Q526 PolarHBondContact O-N 3.42Å
527	W	67.7	Low	61	Low	51 Å²	51	91.2 Å²	91.2	19%	0.193	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125	-171.5	-66.2	96.7	0	0	0	111.9	V472 L513 K515 E525	V472-W527 VanDerWaalsContact CG1-CD1 3.48Å; V472-W527 HydrophobicContact CG1-CG 4.38Å; L513-W527 HydrophobicContact CB-CE3 4.15Å; L513-W527 HydrophobicContact CD2-CB 4.23Å; K515-W527 HydrophobicContact CB-CD2 4.47Å; K515-W527 HydrophobicContact CB-CE3 4.07Å; K515-W527 HydrophobicContact CB-CH2 4.01Å; K515-W527 HydrophobicContact CB-CZ2 4.39Å; K515-W527 HydrophobicContact CB-CZ3 3.83Å; K515-W527 HydrophobicContact CD-CH2 4.35Å; K515-W527 HydrophobicContact CD-CZ2 4.15Å; K515-W527 HydrophobicContact CG-CH2 4.47Å; K515-W527 HydrophobicContact CG-CZ2 4.38Å; E525-W527 VanDerWaalsContact C-N 3.31Å
528	Q	73.6	Confident	61	Low	129 Å²	129	89.9 Å²	89.9	60%	0.603	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.2	174.5	-69.4	-175	-14.1	0	0	110.2	Q514	Q514-Q528 PolarHBondContact N-O 3.01Å; Q514-Q528 PolarHBondContact O-N 3.29Å
529	E	76.9	Confident	61.5	Low	74 Å²	74	81.8 Å²	81.8	35%	0.346	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.5	175.7	-174.1	-174.5	-145.8	0	0	111.1	Y473 R511 I512 L513	Y473-E529 VanDerWaalsContact OH-CD 3.29Å; Y473-E529 PolarHBondContact OH-OE2 3.28Å; R511-E529 HydrophobicContact CB-CG 4.5Å; R511-E529 WeakPolarHBondContact CD-OE1 3.18Å; R511-E529 IonicContact CZ-OE1 2.91Å; R511-E529 IonicContact NE-OE1 3.81Å; R511-E529 IonicContact NH1-OE1 3.3Å; R511-E529 PolarHBondContact NH1-OE1 2.96Å; R511-E529 IonicContact NH1-OE2 3.54Å; I512-E529 CarbonylContact O-C 3.56Å; I512-E529 WeakPolarHBondContact O-CA 3.37Å; L513-E529 HydrophobicContact CD2-CB 4.11Å
530	K	82.6	Confident	62.1	Low	123 Å²	123	84.8 Å²	84.8	54%	0.535	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	128.2	173.1	-173	173.2	-174.6	167.5	0	110.8	I512 L532	I512-K530 HydrophobicContact CB-CB 4.43Å; I512-K530 WeakPolarHBondContact CB-O 3.04Å; I512-K530 PolarHBondContact N-O 2.96Å; I512-K530 PolarHBondContact O-N 3.3Å; K530-L532 PolarHBondContact O-N 2.96Å
531	A	81.8	Confident	63.1	Low	82 Å²	82	81.2 Å²	81.2	68%	0.678	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	131.1	175.3	0	0	0	0	0	111.4
532	L	83.8	Confident	64.3	Low	10 Å²	10	80.1 Å²	80.1	5%	0.052	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	104.4	173.3	-168.3	155.9	0	0	0	108.5	Y210 L497 V502 L510 I512 K530 L534	Y210-L532 HydrophobicContact CD2-CD1 3.95Å; Y210-L532 HydrophobicContact CD2-CD2 3.49Å; Y210-L532 VanDerWaalsContact CD2-CD2 3.49Å; Y210-L532 HydrophobicContact CD2-CG 3.59Å; Y210-L532 HydrophobicContact CE2-CD1 3.83Å; Y210-L532 HydrophobicContact CE2-CD2 4.17Å; Y210-L532 HydrophobicContact CE2-CG 3.74Å; Y210-L532 HydrophobicContact CG-CD2 4.25Å; L497-L532 HydrophobicContact CD1-CD1 4.04Å; V502-L532 HydrophobicContact CG1-CD1 3.89Å; V502-L532 HydrophobicContact CG2-CD1 4.22Å; L510-L532 HydrophobicContact CB-CB 3.88Å; L510-L532 HydrophobicContact CB-CD2 4.09Å; L510-L532 HydrophobicContact CB-CG 4.38Å; L510-L532 HydrophobicContact CD1-CD2 4.18Å; L510-L532 WeakPolarHBondContact O-CA 3.5Å; L510-L532 WeakPolarHBondContact O-CB 3.39Å; L510-L532 PolarHBondContact O-N 3.09Å; I512-L532 HydrophobicContact CD1-CB 4.14Å; I512-L532 HydrophobicContact CD1-CD1 3.92Å; I512-L532 HydrophobicContact CD1-CG 4.18Å; I512-L532 HydrophobicContact CG1-CB 3.81Å; I512-L532 HydrophobicContact CG1-CD1 3.91Å; I512-L532 HydrophobicContact CG1-CG 4.26Å; K530-L532 PolarHBondContact O-N 2.96Å; L532-L534 HydrophobicContact CD2-CD2 3.59Å; L532-L534 HydrophobicContact CD2-CG 3.91Å; L532-L534 PolarHBondContact O-N 2.84Å
533	C	83.3	Confident	65.9	Low	49 Å²	49	77.1 Å²	77.1	33%	0.331	46%	0.459	S	S	.	.			trans	-68.9	124.1	175.8	175.8	0	0	0	0	111.1	C209 Y210	C209-C533 CarbonylContact C-O 3.58Å; C209-C533 VanDerWaalsContact CA-O 3.22Å; C209-C533 WeakPolarHBondContact CA-O 3.35Å; C209-C533 HydrophobicContact CB-CB 3.73Å; C209-C533 WeakPolarHBondContact CB-O 3.45Å; C209-C533 WeakPolarHBondContact CB-SG 3.29Å; C209-C533 WeakPolarHBondContact SG-CB 3.28Å; C209-C533 CovalentContact SG-SG 2.04Å; C209-C533 PolarHBondContact SG-SG 3.25Å; Y210-C533 PolarHBondContact N-O 2.78Å
534	L	79.2	Confident	67.7	Low	44 Å²	44	74.9 Å²	74.9	23%	0.23	45%	0.45	C	S	.	.	B	Isolated β-bridge	trans	-104.5	129.9	169.4	-69.3	178.8	0	0	0	110.4	L510 L532 L543 L578	L510-L534 HydrophobicContact CD1-CD1 3.75Å; L510-L534 HydrophobicContact CD1-CD2 4.16Å; L510-L534 HydrophobicContact CD1-CG 4.2Å; L510-L534 HydrophobicContact CG-CD1 3.88Å; L510-L534 HydrophobicContact CG-CG 4.49Å; L532-L534 HydrophobicContact CD2-CD2 3.59Å; L532-L534 HydrophobicContact CD2-CG 3.91Å; L532-L534 PolarHBondContact O-N 2.84Å; L534-L543 HydrophobicContact CD1-CD2 4.23Å; L534-L578 HydrophobicContact CD2-CD1 3.64Å
535	G	66.7	Low	69.4	Low	26 Å²	26	70.1 Å²	70.1	27%	0.268	42%	0.421	S	S	.	.			trans	93.4	135.8	175.9	0	0	0	0	0	114.1	C209 Y210	C209-G535 WeakPolarHBondContact CB-O 3.43Å; Y210-G535 PolarHBondContact O-N 2.91Å
536	S	55.3	Low	71.3	Confident	38 Å²	38	65.5 Å²	65.5	27%	0.266	40%	0.399	S	S	.	.			trans	-145.9	168.1	171.5	-169.3	0	0	0	0	108.7	K206 S538 C539	K206-S536 PolarHBondContact O-OG 3.3Å; S536-S538 PolarHBondContact O-N 3.03Å; S536-C539 PolarHBondContact N-SG 3.5Å; S536-C539 PolarHBondContact O-N 3.33Å
537	V	53.5	Low	72.6	Confident	138 Å²	138	63 Å²	63	84%	0.836	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.9	179.3	-170.9	0	0	0	0	112
538	S	56.3	Low	73.6	Confident	91 Å²	91	62 Å²	62	64%	0.636	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-6.1	176.5	59.9	0	0	0	0	115.1	S536	S536-S538 PolarHBondContact O-N 3.03Å
539	C	63.1	Low	74.4	Confident	21 Å²	21	56.1 Å²	56.1	14%	0.142	36%	0.36	C	S	.	.			trans	-89.7	129.3	179.1	-53.6	0	0	0	0	109.4	C211 S536 S541	C211-C539 VanDerWaalsContact CA-SG 3.56Å; C211-C539 HydrophobicContact CB-CB 3.76Å; C211-C539 WeakPolarHBondContact CB-SG 3.38Å; C211-C539 WeakPolarHBondContact SG-CB 3.18Å; C211-C539 CovalentContact SG-SG 2.03Å; C211-C539 PolarHBondContact SG-SG 3.3Å; S536-C539 PolarHBondContact N-SG 3.5Å; S536-C539 PolarHBondContact O-N 3.33Å; C539-S541 VanDerWaalsContact C-N 3.32Å; C539-S541 PolarHBondContact O-N 3.16Å
540	A	56.9	Low	75.2	Confident	108 Å²	108	52.7 Å²	52.7	89%	0.893	34%	0.344	S	S	*	.	S	Bend	trans	-67.1	-25.5	-173.1	0	0	0	0	0	114.7
541	S	60.1	Low	75.7	Confident	44 Å²	44	46.9 Å²	46.9	31%	0.308	32%	0.319	S	S	.	.			trans	-146.3	135.8	-179	-59.4	0	0	0	0	111.9	C539	C539-S541 VanDerWaalsContact C-N 3.32Å; C539-S541 PolarHBondContact O-N 3.16Å
542	P	73.7	Confident	76.2	Confident	92 Å²	92	44.5 Å²	44.5	60%	0.597	29%	0.294	S	S	*	.			trans	-72.7	159.3	166.7	31.2	-33.2	0	0	0	111	V544	P542-V544 HydrophobicContact CG-CG2 4.33Å; P542-V544 PolarHBondContact O-N 3.45Å
543	L	78.8	Confident	76.7	Confident	36 Å²	36	44.6 Å²	44.6	19%	0.188	29%	0.294	C	S	.	.			trans	-66.6	119	168.9	-174.8	73.5	0	0	0	108.3	P212 L534 V547 I560 A562 Y576	P212-L543 HydrophobicContact CG-CB 4.19Å; L534-L543 HydrophobicContact CD1-CD2 4.23Å; L543-V547 HydrophobicContact CD2-CG2 4.02Å; L543-I560 HydrophobicContact CD1-CG2 4.15Å; L543-A562 HydrophobicContact CD1-CB 4.23Å; L543-Y576 HydrophobicContact CD1-CD1 4.49Å; L543-Y576 HydrophobicContact CD1-CD2 3.66Å; L543-Y576 HydrophobicContact CD1-CE2 3.87Å; L543-Y576 HydrophobicContact CD1-CG 3.98Å
544	V	77.4	Confident	77.1	Confident	71 Å²	71	44 Å²	44	43%	0.43	29%	0.287	S	S	.	.			trans	-111.2	122.8	179.6	-178.6	0	0	0	0	109.8	P542	P542-V544 HydrophobicContact CG-CG2 4.33Å; P542-V544 PolarHBondContact O-N 3.45Å
545	G	80.1	Confident	77.7	Confident	28 Å²	28	43.7 Å²	43.7	29%	0.289	29%	0.285	S	S	.	.	S	Bend	trans	105.6	-175.2	175.4	0	0	0	0	0	114	S563	G545-S563 CarbonylContact C-O 3.57Å; G545-S563 VanDerWaalsContact CA-O 3.26Å; G545-S563 WeakPolarHBondContact CA-O 3.49Å
546	H	86.2	Confident	78.8	Confident	66 Å²	66	42.7 Å²	42.7	31%	0.306	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	137.4	177.4	-63.6	-72.3	0	0	0	110.8	R506 L548 A562 S563	R506-H546 HydrophobicContact CG-CB 3.96Å; R506-H546 CarbonylContact O-C 3.55Å; R506-H546 WeakPolarHBondContact O-CA 3.48Å; R506-H546 WeakPolarHBondContact O-CB 3.36Å; R506-H546 PolarHBondContact O-ND1 2.63Å; H546-L548 PolarHBondContact O-N 3.12Å; H546-A562 CarbonylContact O-C 3.49Å; H546-A562 WeakPolarHBondContact O-CA 3.34Å; H546-A562 WeakPolarHBondContact O-CB 3.27Å; H546-S563 PolarHBondContact N-O 3.28Å; H546-S563 PolarHBondContact O-N 2.93Å
547	V	88.8	Confident	80.6	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	129.3	172.4	-179.5	0	0	0	0	108.8	V484 R506 L543 F550 I560 L561	V484-V547 HydrophobicContact CG1-CG1 4.33Å; R506-V547 PolarHBondContact O-N 3.26Å; L543-V547 HydrophobicContact CD2-CG2 4.02Å; V547-F550 HydrophobicContact CG1-CE1 4.21Å; V547-F550 HydrophobicContact CG1-CE2 4.46Å; V547-F550 HydrophobicContact CG1-CZ 3.98Å; V547-I560 HydrophobicContact CG1-CG2 4.07Å; V547-I560 HydrophobicContact CG2-CG2 4.05Å; V547-L561 WeakPolarHBondContact CA-O 3.41Å
548	L	88.3	Confident	82.5	Confident	30 Å²	30	34.7 Å²	34.7	16%	0.157	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-28.1	177.7	-62	-177.8	0	0	0	112.1	P222 H546 L561 M567	P222-L548 HydrophobicContact CG-CD1 4.3Å; H546-L548 PolarHBondContact O-N 3.12Å; L548-L561 HydrophobicContact CB-CB 4.38Å; L548-L561 PolarHBondContact N-O 3.11Å; L548-M567 HydrophobicContact CD2-CG 3.9Å; L548-M567 HydrophobicContact CD2-SD 4.42Å
549	G	90	Very high	84.3	Confident	5 Å²	5	30.5 Å²	30.5	5%	0.052	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.1	-177.1	-176.9	0	0	0	0	0	112.4	L561	G549-L561 PolarHBondContact O-N 3.35Å
550	F	92.9	Very high	85.8	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	162.1	-179	-56.3	-80.2	0	0	0	110.7	G485 F487 L510 V547 Y559 I560	G485-F550 WeakPolarHBondContact O-CE2 2.97Å; F487-F550 HydrophobicContact CD1-CB 4.08Å; F487-F550 AromaticContact CD1-CD1 3.69Å; F487-F550 HydrophobicContact CD1-CD1 3.69Å; F487-F550 HydrophobicContact CD1-CD2 4.35Å; F487-F550 HydrophobicContact CD1-CE1 4.19Å; F487-F550 AromaticContact CD1-CG 3.78Å; F487-F550 HydrophobicContact CD1-CG 3.78Å; F487-F550 AromaticContact CE1-CD1 3.56Å; F487-F550 HydrophobicContact CE1-CD1 3.56Å; F487-F550 AromaticContact CE1-CE1 3.79Å; F487-F550 HydrophobicContact CE1-CE1 3.79Å; F487-F550 HydrophobicContact CE1-CG 4.15Å; L510-F550 HydrophobicContact CD2-CE1 4.06Å; L510-F550 HydrophobicContact CD2-CZ 4.1Å; V547-F550 HydrophobicContact CG1-CE1 4.21Å; V547-F550 HydrophobicContact CG1-CE2 4.46Å; V547-F550 HydrophobicContact CG1-CZ 3.98Å; F550-Y559 CarbonylContact C-O 3.6Å; F550-Y559 VanDerWaalsContact CA-O 3.31Å; F550-Y559 WeakPolarHBondContact CA-O 3.25Å; F550-I560 HydrophobicContact CD1-CG1 4.13Å; F550-I560 HydrophobicContact CE1-CG1 4.2Å; F550-I560 HydrophobicContact CE1-CG2 4.5Å
551	G	92.9	Very high	87.5	Confident	2 Å²	2	24.4 Å²	24.4	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	172.3	171.6	0	0	0	0	0	113.8	V225 V558 Y559	V225-G551 WeakPolarHBondContact O-CA 3.37Å; G551-V558 CarbonylContact O-C 3.44Å; G551-V558 VanDerWaalsContact O-CA 3.29Å; G551-V558 WeakPolarHBondContact O-CA 3.49Å; G551-Y559 PolarHBondContact N-O 2.87Å; G551-Y559 PolarHBondContact O-N 3.29Å
552	E	93.8	Very high	88.9	Confident	32 Å²	32	22.3 Å²	22.3	15%	0.15	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.6	-173.6	-169.4	-175	163.6	0	0	109.4	V225 R432 E557	V225-E552 PolarHBondContact O-N 3.49Å; R432-E552 IonicContact NH1-OE1 3.18Å; R432-E552 IonicContact NH2-OE1 3.26Å; E552-E557 CarbonylContact C-O 3.59Å; E552-E557 WeakPolarHBondContact CA-O 3.15Å
553	D	93.5	Very high	89.5	Confident	12 Å²	12	18.3 Å²	18.3	6%	0.064	11%	0.105	C	C	.	.			trans	-89.3	171.5	168.1	67.4	27.7	0	0	0	112.6	H227 L235 L555 G556 E557 Y559 K577	H227-D553 PolarHBondContact CD2-O 3.02Å; L235-D553 HydrophobicContact CD1-CB 4.34Å; L235-D553 HydrophobicContact CD2-CB 3.62Å; L235-D553 HydrophobicContact CG-CB 4.23Å; D553-L555 PolarHBondContact O-N 2.95Å; D553-L555 VanDerWaalsContact O-N 3.13Å; D553-L555 WeakPolarHBondContact OD1-CA 3.32Å; D553-L555 WeakPolarHBondContact OD1-CB 3.47Å; D553-L555 PolarHBondContact OD1-N 3.42Å; D553-G556 PolarHBondContact O-N 2.99Å; D553-G556 PolarHBondContact OD1-N 3.41Å; D553-G556 VanDerWaalsContact OD1-N 3.12Å; D553-E557 PolarHBondContact N-O 3Å; D553-E557 WeakPolarHBondContact OD1-CB 3.32Å; D553-E557 PolarHBondContact OD1-N 3.21Å; D553-E557 WeakPolarHBondContact OD2-CB 3.49Å; D553-Y559 HydrophobicContact CB-CE2 3.63Å; D553-Y559 WeakPolarHBondContact OD2-CE2 3.38Å; D553-Y559 PolarHBondContact OD2-OH 3.12Å; D553-K577 IonicContact OD2-NZ 3.5Å; D553-K577 PolarHBondContact OD2-NZ 3.06Å
554	E	92.6	Very high	89.4	Confident	35 Å²	35	20 Å²	20	16%	0.164	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.4	-178.8	-173.1	165.6	-150.8	0	0	113.9	H227 G229 D230 G231 S232 Q233 G556	H227-E554 HydrophobicContact CB-CB 4.1Å; G229-E554 VanDerWaalsContact CA-OE1 3.23Å; G229-E554 WeakPolarHBondContact CA-OE1 3.34Å; D230-E554 PolarHBondContact N-OE1 2.88Å; G231-E554 VanDerWaalsContact CA-OE1 3.26Å; G231-E554 WeakPolarHBondContact CA-OE1 3.42Å; G231-E554 PolarHBondContact N-OE1 3.01Å; S232-E554 PolarHBondContact N-OE2 3.01Å; Q233-E554 VanDerWaalsContact CA-OE2 3.24Å; Q233-E554 WeakPolarHBondContact CA-OE2 3.49Å; Q233-E554 PolarHBondContact N-OE2 2.9Å; E554-G556 VanDerWaalsContact C-N 3.32Å
555	L	90.8	Very high	89	Confident	39 Å²	39	21.6 Å²	21.6	20%	0.204	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-2.3	174.5	-55.4	-179.9	0	0	0	112.2	D553 E557 R592	D553-L555 PolarHBondContact O-N 2.95Å; D553-L555 VanDerWaalsContact O-N 3.13Å; D553-L555 WeakPolarHBondContact OD1-CA 3.32Å; D553-L555 WeakPolarHBondContact OD1-CB 3.47Å; D553-L555 PolarHBondContact OD1-N 3.42Å; L555-E557 VanDerWaalsContact C-N 3.35Å; L555-E557 HydrophobicContact CB-CG 4.43Å; L555-R592 HydrophobicContact CD2-CB 4.01Å; L555-R592 HydrophobicContact CD2-CG 3.8Å
556	G	90.3	Very high	88.1	Confident	5 Å²	5	22.6 Å²	22.6	5%	0.052	12%	0.124	C	C	.	.	S	Bend	trans	82.6	8.6	-177.7	0	0	0	0	0	113.9	G491 D553 E554	G491-G556 WeakPolarHBondContact CA-O 3.5Å; G491-G556 PolarHBondContact N-O 3.2Å; D553-G556 PolarHBondContact O-N 2.99Å; D553-G556 PolarHBondContact OD1-N 3.41Å; D553-G556 VanDerWaalsContact OD1-N 3.12Å; E554-G556 VanDerWaalsContact C-N 3.32Å
557	E	92.9	Very high	86.7	Confident	6 Å²	6	21.7 Å²	21.7	3%	0.028	12%	0.12	C	C	.	.			trans	-75.8	145.4	173.9	-49.6	-58.5	150.6	0	0	110.5	Y489 C492 Q493 E552 D553 L555 Y559	Y489-E557 PolarHBondContact OH-OE1 3.5Å; Y489-E557 PolarHBondContact OH-OE2 2.05Å; C492-E557 PolarHBondContact N-OE1 2.9Å; Q493-E557 WeakPolarHBondContact CB-OE1 3.29Å; Q493-E557 WeakPolarHBondContact CB-OE2 3.4Å; Q493-E557 PolarHBondContact N-OE1 3.08Å; E552-E557 CarbonylContact C-O 3.59Å; E552-E557 WeakPolarHBondContact CA-O 3.15Å; D553-E557 PolarHBondContact N-O 3Å; D553-E557 WeakPolarHBondContact OD1-CB 3.32Å; D553-E557 PolarHBondContact OD1-N 3.21Å; D553-E557 WeakPolarHBondContact OD2-CB 3.49Å; L555-E557 VanDerWaalsContact C-N 3.35Å; L555-E557 HydrophobicContact CB-CG 4.43Å; E557-Y559 WeakPolarHBondContact O-CE2 3.47Å
558	V	94.4	Very high	85.2	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	146.5	-169.6	-61.3	0	0	0	0	112.2	F487 Y489 G551 L578	F487-V558 HydrophobicContact CD2-CB 4.22Å; F487-V558 HydrophobicContact CD2-CG1 3.67Å; F487-V558 HydrophobicContact CD2-CG2 4.35Å; F487-V558 HydrophobicContact CE2-CB 3.98Å; F487-V558 HydrophobicContact CE2-CG1 3.81Å; F487-V558 HydrophobicContact CE2-CG2 3.63Å; F487-V558 HydrophobicContact CG-CG1 4.32Å; F487-V558 HydrophobicContact CZ-CB 4.27Å; F487-V558 HydrophobicContact CZ-CG2 3.81Å; Y489-V558 HydrophobicContact CD2-CB 4.41Å; Y489-V558 HydrophobicContact CD2-CG1 3.81Å; Y489-V558 HydrophobicContact CD2-CG2 3.78Å; Y489-V558 HydrophobicContact CE2-CG1 4.43Å; Y489-V558 HydrophobicContact CE2-CG2 4.1Å; G551-V558 CarbonylContact O-C 3.44Å; G551-V558 VanDerWaalsContact O-CA 3.29Å; G551-V558 WeakPolarHBondContact O-CA 3.49Å; V558-L578 HydrophobicContact CG2-CB 3.74Å; V558-L578 HydrophobicContact CG2-CD2 3.73Å; V558-L578 HydrophobicContact CG2-CG 4.36Å; V558-L578 PolarHBondContact O-N 3.15Å
559	Y	94.1	Very high	83.5	Confident	3 Å²	3	28.8 Å²	28.8	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.8	-178.3	-58.5	-102.9	0	0	0	110.2	V215 L235 F550 G551 D553 E557 L575 Y576 K577	V215-Y559 HydrophobicContact CG2-CE1 4.32Å; L235-Y559 HydrophobicContact CD1-CE1 4.06Å; L235-Y559 HydrophobicContact CD1-CE2 4.02Å; F550-Y559 CarbonylContact C-O 3.6Å; F550-Y559 VanDerWaalsContact CA-O 3.31Å; F550-Y559 WeakPolarHBondContact CA-O 3.25Å; G551-Y559 PolarHBondContact N-O 2.87Å; G551-Y559 PolarHBondContact O-N 3.29Å; D553-Y559 HydrophobicContact CB-CE2 3.63Å; D553-Y559 WeakPolarHBondContact OD2-CE2 3.38Å; D553-Y559 PolarHBondContact OD2-OH 3.12Å; E557-Y559 WeakPolarHBondContact O-CE2 3.47Å; Y559-L575 HydrophobicContact CD1-CD1 4.16Å; Y559-L575 HydrophobicContact CD1-CD2 4.21Å; Y559-L575 HydrophobicContact CD1-CG 4.07Å; Y559-L575 HydrophobicContact CG-CD1 4.23Å; Y559-Y576 CarbonylContact C-O 3.58Å; Y559-Y576 WeakPolarHBondContact CA-O 3.44Å; Y559-K577 HydrophobicContact CD1-CB 3.85Å; Y559-K577 HydrophobicContact CD1-CG 4.23Å; Y559-K577 HydrophobicContact CE1-CB 3.69Å; Y559-K577 HydrophobicContact CE1-CD 3.85Å; Y559-K577 HydrophobicContact CE1-CG 3.79Å; Y559-K577 PolarHBondContact OH-NZ 3.29Å
560	I	93.3	Very high	81.9	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.5	177.8	-56.8	169.8	0	0	0	107.3	L510 L543 V547 F550 Y576	L510-I560 HydrophobicContact CD1-CD1 3.89Å; L543-I560 HydrophobicContact CD1-CG2 4.15Å; V547-I560 HydrophobicContact CG1-CG2 4.07Å; V547-I560 HydrophobicContact CG2-CG2 4.05Å; F550-I560 HydrophobicContact CD1-CG1 4.13Å; F550-I560 HydrophobicContact CE1-CG1 4.2Å; F550-I560 HydrophobicContact CE1-CG2 4.5Å; I560-Y576 PolarHBondContact N-O 3.49Å; I560-Y576 PolarHBondContact O-N 3.15Å
561	L	92.3	Very high	80.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.6	171.2	-68.8	171.3	0	0	0	108.7	L219 P222 V225 V547 L548 G549 L575	L219-L561 HydrophobicContact CD1-CD2 4.31Å; P222-L561 HydrophobicContact CB-CD1 3.96Å; P222-L561 HydrophobicContact CB-CD2 3.65Å; P222-L561 HydrophobicContact CB-CG 4.3Å; P222-L561 HydrophobicContact CG-CB 4.35Å; P222-L561 HydrophobicContact CG-CD2 3.81Å; P222-L561 HydrophobicContact CG-CG 4.47Å; V225-L561 HydrophobicContact CG2-CD1 4.05Å; V225-L561 HydrophobicContact CG2-CD2 3.89Å; V225-L561 HydrophobicContact CG2-CG 4.16Å; V547-L561 WeakPolarHBondContact CA-O 3.41Å; L548-L561 HydrophobicContact CB-CB 4.38Å; L548-L561 PolarHBondContact N-O 3.11Å; G549-L561 PolarHBondContact O-N 3.35Å; L561-L575 HydrophobicContact CD2-CB 4.38Å; L561-L575 HydrophobicContact CD2-CD1 3.51Å; L561-L575 HydrophobicContact CG-CD1 4.27Å
562	A	89.8	Confident	80.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	156.5	177.1	0	0	0	0	0	112.4	L543 H546 G573 K574 Y576	L543-A562 HydrophobicContact CD1-CB 4.23Å; H546-A562 CarbonylContact O-C 3.49Å; H546-A562 WeakPolarHBondContact O-CA 3.34Å; H546-A562 WeakPolarHBondContact O-CB 3.27Å; A562-G573 CarbonylContact O-C 3.52Å; A562-G573 WeakPolarHBondContact O-CA 3.4Å; A562-K574 PolarHBondContact N-O 2.03Å; A562-K574 PolarHBondContact O-N 2.63Å; A562-Y576 HydrophobicContact CB-CD2 4.33Å; A562-Y576 HydrophobicContact CB-CE2 4.03Å
563	S	86.6	Confident	79.9	Confident	8 Å²	8	36.3 Å²	36.3	6%	0.056	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	135.4	177	173.3	0	0	0	0	111.2	G545 H546 K565 S572	G545-S563 CarbonylContact C-O 3.57Å; G545-S563 VanDerWaalsContact CA-O 3.26Å; G545-S563 WeakPolarHBondContact CA-O 3.49Å; H546-S563 PolarHBondContact N-O 3.28Å; H546-S563 PolarHBondContact O-N 2.93Å; S563-K565 VanDerWaalsContact C-N 3.27Å; S563-K565 PolarHBondContact O-N 3.35Å; S563-K565 PolarHBondContact OG-N 3.09Å; S563-K565 PolarHBondContact OG-O 3.44Å; S563-S572 PolarHBondContact OG-OG 3.09Å
564	S	76.9	Confident	79.7	Confident	70 Å²	70	38.3 Å²	38.3	49%	0.49	21%	0.21	S	C	.	.	S	Bend	trans	-71.2	-20.8	177.9	54.5	0	0	0	0	113.7
565	K	68.9	Low	79.7	Confident	106 Å²	106	36.7 Å²	36.7	46%	0.461	20%	0.202	S	C	.	.	S	Bend	trans	-113.5	144.6	177.6	-66.5	-177.9	-179.2	179.3	0	109.9	S563	S563-K565 VanDerWaalsContact C-N 3.27Å; S563-K565 PolarHBondContact O-N 3.35Å; S563-K565 PolarHBondContact OG-N 3.09Å; S563-K565 PolarHBondContact OG-O 3.44Å
566	S	60.7	Low	79.8	Confident	49 Å²	49	34.9 Å²	34.9	34%	0.343	19%	0.193	S	C	.	.			trans	-53.2	141.1	165.9	176.8	0	0	0	0	109.2	S271 A568	S271-S566 WeakPolarHBondContact CB-OG 3.3Å; S271-S566 PolarHBondContact OG-OG 2.94Å; S566-A568 PolarHBondContact O-N 3.45Å
567	M	57.5	Low	79.9	Confident	46 Å²	46	35.9 Å²	35.9	23%	0.227	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-16.3	-160	-64.3	-176.4	79.6	0	0	117.2	Q221 L548 Q569	Q221-M567 WeakPolarHBondContact CG-O 3.18Å; Q221-M567 PolarHBondContact NE2-O 3.13Å; L548-M567 HydrophobicContact CD2-CG 3.9Å; L548-M567 HydrophobicContact CD2-SD 4.42Å; M567-Q569 PolarHBondContact O-N 3.31Å
568	A	56	Low	79.8	Confident	37 Å²	37	35.8 Å²	35.8	31%	0.306	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-17.4	-170.5	0	0	0	0	0	117	L269 S566	L269-A568 VanDerWaalsContact O-CB 3.23Å; L269-A568 WeakPolarHBondContact O-CB 3.37Å; S566-A568 PolarHBondContact O-N 3.45Å
569	Q	52.8	Low	79.5	Confident	145 Å²	145	36.5 Å²	36.5	68%	0.678	20%	0.2	S	C	*	.	S	Bend	trans	-147.7	123	-176.7	-74.2	-175.7	-11.9	0	0	116.9	M567	M567-Q569 PolarHBondContact O-N 3.31Å
570	S	56.5	Low	79.2	Confident	67 Å²	67	36.6 Å²	36.6	47%	0.469	20%	0.201	S	C	.	.	S	Bend	trans	68	127.7	152.2	65.8	0	0	0	0	119.7	S572	S570-S572 WeakPolarHBondContact O-CB 3.17Å; S570-S572 PolarHBondContact O-N 2.86Å; S570-S572 PolarHBondContact O-OG 3.39Å
571	H	69.8	Low	78.8	Confident	106 Å²	106	39.4 Å²	39.4	49%	0.491	22%	0.219	S	C	.	.	S	Bend	trans	-1	47.8	162.1	-46.7	-59.9	0	0	0	119.9	G218 R220	G218-H571 WeakPolarHBondContact CA-O 3.33Å; R220-H571 WeakPolarHBondContact CG-ND1 3.15Å; R220-H571 PolarHBondContact NE-CE1 3.38Å; R220-H571 PolarHBondContact NE-ND1 3.49Å
572	S	80.4	Confident	78.4	Confident	23 Å²	23	45.3 Å²	45.3	16%	0.161	25%	0.245	C	C	.	.			trans	-119.9	6.1	-176	54.3	0	0	0	0	113	S563 S570	S563-S572 PolarHBondContact OG-OG 3.09Å; S570-S572 WeakPolarHBondContact O-CB 3.17Å; S570-S572 PolarHBondContact O-N 2.86Å; S570-S572 PolarHBondContact O-OG 3.39Å
573	G	87.1	Confident	78	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	137.9	173.5	0	0	0	0	0	110.9	S217 G218 L219 A562	S217-G573 CarbonylContact C-O 3.53Å; G218-G573 PolarHBondContact N-O 2.98Å; L219-G573 PolarHBondContact N-O 3.24Å; L219-G573 WeakPolarHBondContact O-CA 3.11Å; L219-G573 PolarHBondContact O-N 3.01Å; A562-G573 CarbonylContact O-C 3.52Å; A562-G573 WeakPolarHBondContact O-CA 3.4Å
574	K	90.5	Very high	77.8	Confident	55 Å²	55	51.2 Å²	51.2	24%	0.239	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.5	179.2	-68.1	-175.3	171.2	-143.2	0	110.3	E214 L216 A562 Y576	E214-K574 VanDerWaalsContact CD-NZ 3.27Å; E214-K574 VanDerWaalsContact OE1-CE 3.32Å; E214-K574 WeakPolarHBondContact OE1-CE 3.26Å; E214-K574 IonicContact OE1-NZ 3.31Å; E214-K574 PolarHBondContact OE1-NZ 3Å; E214-K574 IonicContact OE2-NZ 3.26Å; E214-K574 PolarHBondContact OE2-NZ 3.13Å; L216-K574 CarbonylContact O-C 3.6Å; L216-K574 VanDerWaalsContact O-CA 3.31Å; L216-K574 WeakPolarHBondContact O-CA 3.49Å; A562-K574 PolarHBondContact N-O 2.03Å; A562-K574 PolarHBondContact O-N 2.63Å; K574-Y576 HydrophobicContact CB-CD2 4.22Å; K574-Y576 HydrophobicContact CB-CE2 3.52Å; K574-Y576 HydrophobicContact CD-CE2 4.15Å; K574-Y576 WeakPolarHBondContact CD-OH 3.47Å
575	L	92.4	Very high	77.8	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.5	175.4	-178	68.6	0	0	0	108.8	V215 L216 L219 V225 L247 Y559 L561	V215-L575 HydrophobicContact CB-CD2 4.33Å; V215-L575 HydrophobicContact CB-CG 4.41Å; V215-L575 HydrophobicContact CG1-CD2 4.22Å; V215-L575 PolarHBondContact N-O 3.14Å; L216-L575 HydrophobicContact CB-CB 4.16Å; L216-L575 PolarHBondContact N-O 3.48Å; L216-L575 PolarHBondContact O-N 3.27Å; L219-L575 HydrophobicContact CD1-CB 4.16Å; V225-L575 HydrophobicContact CG2-CD1 3.74Å; L247-L575 HydrophobicContact CD1-CD2 3.62Å; Y559-L575 HydrophobicContact CD1-CD1 4.16Å; Y559-L575 HydrophobicContact CD1-CD2 4.21Å; Y559-L575 HydrophobicContact CD1-CG 4.07Å; Y559-L575 HydrophobicContact CG-CD1 4.23Å; L561-L575 HydrophobicContact CD2-CB 4.38Å; L561-L575 HydrophobicContact CD2-CD1 3.51Å; L561-L575 HydrophobicContact CG-CD1 4.27Å
576	Y	91.9	Very high	78.3	Confident	1 Å²	1	50.5 Å²	50.5	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.2	177.6	-62.8	-92.9	0	0	0	110.5	P212 R213 E214 L543 Y559 I560 A562 K574	P212-Y576 HydrophobicContact CB-CD1 4.14Å; P212-Y576 HydrophobicContact CB-CG 4.4Å; R213-Y576 CarbonylContact O-C 3.46Å; R213-Y576 VanDerWaalsContact O-CA 3.26Å; R213-Y576 WeakPolarHBondContact O-CA 3.19Å; E214-Y576 HydrophobicContact CB-CD1 3.96Å; E214-Y576 HydrophobicContact CB-CE1 3.82Å; E214-Y576 HydrophobicContact CG-CE1 4.25Å; L543-Y576 HydrophobicContact CD1-CD1 4.49Å; L543-Y576 HydrophobicContact CD1-CD2 3.66Å; L543-Y576 HydrophobicContact CD1-CE2 3.87Å; L543-Y576 HydrophobicContact CD1-CG 3.98Å; Y559-Y576 CarbonylContact C-O 3.58Å; Y559-Y576 WeakPolarHBondContact CA-O 3.44Å; I560-Y576 PolarHBondContact N-O 3.49Å; I560-Y576 PolarHBondContact O-N 3.15Å; A562-Y576 HydrophobicContact CB-CD2 4.33Å; A562-Y576 HydrophobicContact CB-CE2 4.03Å; K574-Y576 HydrophobicContact CB-CD2 4.22Å; K574-Y576 HydrophobicContact CB-CE2 3.52Å; K574-Y576 HydrophobicContact CD-CE2 4.15Å; K574-Y576 WeakPolarHBondContact CD-OH 3.47Å
577	K	92.3	Very high	79.5	Confident	26 Å²	26	48.5 Å²	48.5	11%	0.113	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.9	169.7	-174.1	167.7	-174.2	146.4	0	109.7	R213 V215 D553 Y559 V579	R213-K577 PolarHBondContact N-O 2.91Å; R213-K577 PolarHBondContact O-N 2.94Å; V215-K577 HydrophobicContact CG2-CB 3.82Å; D553-K577 IonicContact OD2-NZ 3.5Å; D553-K577 PolarHBondContact OD2-NZ 3.06Å; Y559-K577 HydrophobicContact CD1-CB 3.85Å; Y559-K577 HydrophobicContact CD1-CG 4.23Å; Y559-K577 HydrophobicContact CE1-CB 3.69Å; Y559-K577 HydrophobicContact CE1-CD 3.85Å; Y559-K577 HydrophobicContact CE1-CG 3.79Å; Y559-K577 PolarHBondContact OH-NZ 3.29Å; K577-V579 HydrophobicContact CG-CG2 4.18Å
578	L	90.8	Very high	80.7	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.2	172.9	-170.4	65.3	0	0	0	109.5	Y210 F487 L497 L534 V558	Y210-L578 HydrophobicContact CG-CD1 4.4Å; F487-L578 HydrophobicContact CZ-CD2 4.34Å; L497-L578 HydrophobicContact CD2-CD2 3.86Å; L534-L578 HydrophobicContact CD2-CD1 3.64Å; V558-L578 HydrophobicContact CG2-CB 3.74Å; V558-L578 HydrophobicContact CG2-CD2 3.73Å; V558-L578 HydrophobicContact CG2-CG 4.36Å; V558-L578 PolarHBondContact O-N 3.15Å
579	V	89.2	Confident	82.2	Confident	18 Å²	18	58.1 Å²	58.1	11%	0.109	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.6	-177.2	-177.2	0	0	0	0	110.3	C211 R213 K577 P581	C211-V579 PolarHBondContact N-O 3.41Å; C211-V579 PolarHBondContact O-N 3.42Å; R213-V579 HydrophobicContact CB-CG2 4.35Å; K577-V579 HydrophobicContact CG-CG2 4.18Å; V579-P581 VanDerWaalsContact O-CD 3.31Å; V579-P581 WeakPolarHBondContact O-CD 3.48Å
580	D	88.5	Confident	83.7	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.027	27%	0.268	C	S	.	.			trans	-81.8	112	167.7	-171.6	2	0	0	0	110.5	Y210 Q493 R496 K582 R583	Y210-D580 HydrophobicContact CD1-CB 4.07Å; Y210-D580 HydrophobicContact CE1-CB 4.08Å; Q493-D580 PolarHBondContact NE2-O 2.83Å; Q493-D580 VanDerWaalsContact OE1-CB 3.31Å; R496-D580 WeakPolarHBondContact CG-OD2 3.48Å; R496-D580 IonicContact CZ-OD1 3.47Å; R496-D580 IonicContact CZ-OD2 2.71Å; R496-D580 IonicContact NE-OD1 2.84Å; R496-D580 PolarHBondContact NE-OD1 3.36Å; R496-D580 IonicContact NE-OD2 3.52Å; R496-D580 PolarHBondContact NE-OD2 2.82Å; R496-D580 IonicContact NH2-OD1 3.7Å; R496-D580 PolarHBondContact NH2-OD1 3.42Å; R496-D580 IonicContact NH2-OD2 3.58Å; D580-K582 PolarHBondContact O-N 3.18Å; D580-K582 VanDerWaalsContact O-N 3.16Å; D580-K582 PolarHBondContact OD1-N 2.04Å; D580-K582 VanDerWaalsContact OD1-N 3.14Å; D580-R583 PolarHBondContact O-N 3.17Å
581	P	84.1	Confident	85.1	Confident	59 Å²	59	55.1 Å²	55.1	38%	0.383	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.5	180	27.9	-36	0	0	0	113.7	C209 V579 R583	C209-P581 WeakPolarHBondContact O-CD 3.43Å; C209-P581 WeakPolarHBondContact O-CG 3.2Å; V579-P581 VanDerWaalsContact O-CD 3.31Å; V579-P581 WeakPolarHBondContact O-CD 3.48Å; P581-R583 VanDerWaalsContact C-N 3.32Å
582	K	83.6	Confident	85.9	Confident	124 Å²	124	57.3 Å²	57.3	54%	0.539	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.6	178.9	-66.3	-171.2	177.2	-170.7	0	113.8	H207 N208 D580	H207-K582 WeakPolarHBondContact O-CE 3.4Å; N208-K582 WeakPolarHBondContact OD1-CE 3.31Å; N208-K582 PolarHBondContact OD1-NZ 3.22Å; D580-K582 PolarHBondContact O-N 3.18Å; D580-K582 VanDerWaalsContact O-N 3.16Å; D580-K582 PolarHBondContact OD1-N 2.04Å; D580-K582 VanDerWaalsContact OD1-N 3.14Å
583	R	82.3	Confident	86.3	Confident	49 Å²	49	61.3 Å²	61.3	19%	0.185	31%	0.306	C	S	.	.	S	Bend	trans	-115	156	-179.8	-66.6	-154.3	71.6	-157.2	9.8	111	C492 Q493 D580 P581 E589	C492-R583 PolarHBondContact O-NH1 3.36Å; Q493-R583 VanDerWaalsContact O-CD 3.3Å; Q493-R583 WeakPolarHBondContact O-CD 3.38Å; D580-R583 PolarHBondContact O-N 3.17Å; P581-R583 VanDerWaalsContact C-N 3.32Å; R583-E589 IonicContact CZ-OE1 3.97Å; R583-E589 VanDerWaalsContact CZ-OE1 3.25Å; R583-E589 IonicContact NH1-OE1 3.78Å; R583-E589 PolarHBondContact NH1-OE1 3.32Å; R583-E589 VanDerWaalsContact NH2-CD 3.31Å; R583-E589 IonicContact NH2-OE1 2.78Å; R583-E589 PolarHBondContact NH2-OE1 3.4Å; R583-E589 IonicContact NH2-OE2 3.41Å; R583-E589 PolarHBondContact NH2-OE2 2.73Å
584	P	81.1	Confident	86.5	Confident	83 Å²	83	64.1 Å²	64.1	54%	0.539	32%	0.322	S	S	.	.			trans	-53.3	151.6	170.7	-23.3	33.3	0	0	0	111	Q493 S586	Q493-P584 PolarHBondContact NE2-O 3.24Å; P584-S586 VanDerWaalsContact C-N 3.27Å; P584-S586 PolarHBondContact O-N 3.35Å
585	H	76.9	Confident	86.5	Confident	87 Å²	87	65.8 Å²	65.8	40%	0.403	33%	0.331	S	S	.	.	S	Bend	trans	-62.3	-37.4	178.7	-175	53.7	0	0	0	112.4	R213	R213-H585 VanDerWaalsContact CZ-NE2 3.33Å; R213-H585 PolarHBondContact NH1-CD2 3.48Å; R213-H585 PolarHBondContact NH1-CE1 3.25Å; R213-H585 PolarHBondContact NH1-NE2 3.31Å; R213-H585 PolarHBondContact NH2-CE1 3.25Å; R213-H585 PolarHBondContact NH2-NE2 3.09Å
586	S	79.6	Confident	86.4	Confident	74 Å²	74	70.5 Å²	70.5	52%	0.517	36%	0.362	S	S	.	.	S	Bend	trans	-131.7	86.3	177	58.6	0	0	0	0	110	P584	P584-S586 VanDerWaalsContact C-N 3.27Å; P584-S586 PolarHBondContact O-N 3.35Å
587	P	85.6	Confident	86.3	Confident	7 Å²	7	72.3 Å²	72.3	5%	0.045	37%	0.373	C	S	.	.			trans	-60.8	145.2	174.6	-20.6	33.3	0	0	0	111	E589 C590	P587-E589 HydrophobicContact CB-CG 3.97Å; P587-E589 PolarHBondContact O-N 3.06Å; P587-C590 PolarHBondContact O-N 2.82Å
588	K	83.6	Confident	86.1	Confident	186 Å²	186	78 Å²	78	81%	0.809	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-58.5	-36	-178.7	-69	-175.4	178	-177.9	0	112.6	C590 Q591	K588-C590 PolarHBondContact O-N 3.23Å; K588-Q591 PolarHBondContact O-N 3.02Å
589	E	86.5	Confident	86.2	Confident	100 Å²	100	82 Å²	82	47%	0.467	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-64.1	-20.2	176.3	69.1	-141.9	-140	0	0	114.1	R495 R583 P587	R495-E589 IonicContact CZ-OE1 2.71Å; R495-E589 IonicContact NE-OE1 3.85Å; R495-E589 PolarHBondContact NE-OE1 2.88Å; R495-E589 VanDerWaalsContact NH2-CD 3.25Å; R495-E589 IonicContact NH2-OE1 3.2Å; R495-E589 PolarHBondContact NH2-OE1 3.46Å; R495-E589 IonicContact NH2-OE2 3.67Å; R495-E589 PolarHBondContact NH2-OE2 2.83Å; R583-E589 IonicContact CZ-OE1 3.97Å; R583-E589 VanDerWaalsContact CZ-OE1 3.25Å; R583-E589 IonicContact NH1-OE1 3.78Å; R583-E589 PolarHBondContact NH1-OE1 3.32Å; R583-E589 VanDerWaalsContact NH2-CD 3.31Å; R583-E589 IonicContact NH2-OE1 2.78Å; R583-E589 PolarHBondContact NH2-OE1 3.4Å; R583-E589 IonicContact NH2-OE2 3.41Å; R583-E589 PolarHBondContact NH2-OE2 2.73Å; P587-E589 HydrophobicContact CB-CG 3.97Å; P587-E589 PolarHBondContact O-N 3.06Å
590	C	85.6	Confident	86.2	Confident	14 Å²	14	82 Å²	82	10%	0.095	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-98.4	-4.7	-177.9	-50.6	0	0	0	0	112.9	C492 P587 K588 R592	C492-C590 HydrophobicContact CB-CB 3.69Å; C492-C590 WeakPolarHBondContact CB-SG 3.47Å; C492-C590 PolarHBondContact O-SG 3.35Å; C492-C590 VanDerWaalsContact O-SG 3.41Å; C492-C590 WeakPolarHBondContact SG-CA 3.25Å; C492-C590 WeakPolarHBondContact SG-CB 3.25Å; C492-C590 CovalentContact SG-SG 2.03Å; C492-C590 PolarHBondContact SG-SG 3.45Å; P587-C590 PolarHBondContact O-N 2.82Å; K588-C590 PolarHBondContact O-N 3.23Å; C590-R592 PolarHBondContact O-N 2.93Å
591	Q	84.4	Confident	86.1	Confident	134 Å²	134	85.6 Å²	85.6	63%	0.626	44%	0.443	S	S	*	.			trans	-72.5	115.2	179.9	-68	-178.4	-6.7	0	0	109.4	K588	K588-Q591 PolarHBondContact O-N 3.02Å
592	R	87.4	Confident	86.4	Confident	152 Å²	152	85 Å²	85	57%	0.574	44%	0.438	S	S	*	.			trans	-114.5	141.3	171.6	-61.1	-166.4	-174.8	164.6	1.2	109.6	Q233 L555 C590	Q233-R592 PolarHBondContact NE2-O 3.4Å; L555-R592 HydrophobicContact CD2-CB 4.01Å; L555-R592 HydrophobicContact CD2-CG 3.8Å; C590-R592 PolarHBondContact O-N 2.93Å
593	P	88.8	Confident	86.7	Confident	108 Å²	108	81.8 Å²	81.8	70%	0.701	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-61.8	141.2	174.4	28	-33.8	0	0	0	109.9
594	V	90.8	Very high	87.2	Confident	61 Å²	61	79.7 Å²	79.7	37%	0.37	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-88.6	122.6	174.5	-177.7	0	0	0	0	107.8	H249	H249-V594 HydrophobicContact CB-CG1 4.06Å; H249-V594 HydrophobicContact CB-CG2 4.17Å
595	E	91.9	Very high	87.6	Confident	89 Å²	89	76.1 Å²	76.1	42%	0.416	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-97.8	122.9	174.6	-65.9	-177.6	-170.5	0	0	109.5	G231 S232 K287	G231-E595 PolarHBondContact O-N 2.81Å; S232-E595 WeakPolarHBondContact CA-O 3.28Å; S232-E595 VanDerWaalsContact CB-O 3.29Å; S232-E595 WeakPolarHBondContact CB-O 3.1Å; K287-E595 IonicContact NZ-OE2 3.86Å; K287-E595 PolarHBondContact NZ-OE2 2.97Å
596	P	89.5	Confident	88.3	Confident	100 Å²	100	79.1 Å²	79.1	65%	0.649	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-63	146.2	-179.8	27.8	-34.1	0	0	0	110.5	E598	P596-E598 PolarHBondContact O-N 3.14Å
597	P	89.4	Confident	88.9	Confident	39 Å²	39	77.9 Å²	77.9	25%	0.253	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-67	124.2	-179	29.7	-35.9	0	0	0	110.8	R234 P324	R234-P597 VanDerWaalsContact CZ-CB 3.42Å; P324-P597 HydrophobicContact CB-CB 4.13Å; P324-P597 HydrophobicContact CG-CB 4.31Å; P324-P597 HydrophobicContact CG-CG 4.38Å
598	E	89.3	Confident	89.3	Confident	145 Å²	145	77.5 Å²	77.5	68%	0.678	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-92.9	157.7	-177.6	-64.3	-170.9	167.6	0	0	112.7	P596	P596-E598 PolarHBondContact O-N 3.14Å
599	L	91.1	Very high	89.6	Confident	88 Å²	88	76 Å²	76	46%	0.461	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-71.1	150.6	172.2	-69.1	170.8	0	0	0	111.1	K322 T601	K322-L599 VanDerWaalsContact C-CD2 3.47Å; K322-L599 WeakPolarHBondContact O-CD2 3.06Å; L599-T601 WeakPolarHBondContact O-CG2 3.35Å; L599-T601 PolarHBondContact O-N 3.46Å
600	L	90.1	Very high	89.8	Confident	17 Å²	17	73.8 Å²	73.8	9%	0.089	38%	0.382	C	S	.	.			trans	-61.6	114.2	174.9	-68.8	176.9	0	0	0	111.4	K288 T318 V319 S605	K288-L600 WeakPolarHBondContact O-CD2 3.46Å; T318-L600 HydrophobicContact CG2-CD1 4.09Å; V319-L600 HydrophobicContact CG1-CD1 3.62Å; V319-L600 HydrophobicContact CG1-CD2 4.05Å; V319-L600 HydrophobicContact CG1-CG 3.76Å; L600-S605 WeakPolarHBondContact CB-OG 3.44Å
601	T	86.6	Confident	90.1	Very high	81 Å²	81	74 Å²	74	50%	0.497	39%	0.387	S	S	.	.			trans	-101.6	-3.6	-177.7	57	0	0	0	0	114.3	L599 R606	L599-T601 WeakPolarHBondContact O-CG2 3.35Å; L599-T601 PolarHBondContact O-N 3.46Å; T601-R606 PolarHBondContact O-NE 3.47Å
602	T	89.8	Confident	90.5	Very high	46 Å²	46	70.9 Å²	70.9	28%	0.282	37%	0.372	S	S	.	.			trans	-62.1	146.5	-176.1	55.5	0	0	0	0	112.6	K288 C604 S605 R606	K288-T602 HydrophobicContact CB-CG2 4.43Å; K288-T602 WeakPolarHBondContact O-CG2 3.47Å; T602-C604 VanDerWaalsContact C-N 3.25Å; T602-C604 PolarHBondContact O-N 2.84Å; T602-S605 PolarHBondContact O-N 2.71Å; T602-S605 VanDerWaalsContact O-N 3.14Å; T602-S605 WeakPolarHBondContact OG1-CB 3.18Å; T602-S605 PolarHBondContact OG1-N 2.87Å; T602-R606 PolarHBondContact O-N 2.77Å
603	A	90.9	Very high	90.8	Very high	58 Å²	58	64.5 Å²	64.5	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-57.5	-39.8	179.9	0	0	0	0	0	112	R606 N607 F629	A603-R606 PolarHBondContact O-N 2.86Å; A603-N607 VanDerWaalsContact O-CB 3.29Å; A603-N607 WeakPolarHBondContact O-CB 2.95Å; A603-N607 PolarHBondContact O-N 3.34Å; A603-N607 PolarHBondContact O-ND2 3.05Å; A603-F629 HydrophobicContact CB-CE1 4.39Å; A603-F629 HydrophobicContact CB-CZ 4.19Å
604	C	92.1	Very high	91	Very high	4 Å²	4	59.7 Å²	59.7	3%	0.027	32%	0.32	C	S	.	.	H	α-helix	trans	-62.7	-50	175.2	-166.5	0	0	0	0	111.5	T602 R606 N607 C608 C613 G617	T602-C604 VanDerWaalsContact C-N 3.25Å; T602-C604 PolarHBondContact O-N 2.84Å; C604-R606 PolarHBondContact O-N 3.47Å; C604-N607 PolarHBondContact O-N 3.39Å; C604-C608 WeakPolarHBondContact O-CB 3.17Å; C604-C608 PolarHBondContact O-N 2.76Å; C604-C613 HydrophobicContact CB-CB 4.04Å; C604-C613 WeakPolarHBondContact CB-SG 3.12Å; C604-C613 PolarHBondContact O-SG 3.01Å; C604-C613 VanDerWaalsContact SG-CA 3.56Å; C604-C613 WeakPolarHBondContact SG-CB 3.21Å; C604-C613 CovalentContact SG-SG 2.03Å; C604-C613 PolarHBondContact SG-SG 3.02Å; C604-G617 VanDerWaalsContact CB-O 3.23Å; C604-G617 WeakPolarHBondContact CB-O 3.41Å
605	S	90.7	Very high	91.1	Very high	8 Å²	8	57.2 Å²	57.2	6%	0.056	31%	0.305	C	S	.	.	H	α-helix	trans	-58.2	-34.9	177.7	-175	0	0	0	0	112.4	R321 L600 T602	R321-S605 WeakPolarHBondContact CD-O 3.5Å; R321-S605 WeakPolarHBondContact CG-OG 3Å; R321-S605 PolarHBondContact NE-O 2.84Å; R321-S605 VanDerWaalsContact NE-O 3.08Å; R321-S605 PolarHBondContact NH1-O 3.47Å; L600-S605 WeakPolarHBondContact CB-OG 3.44Å; T602-S605 PolarHBondContact O-N 2.71Å; T602-S605 VanDerWaalsContact O-N 3.14Å; T602-S605 WeakPolarHBondContact OG1-CB 3.18Å; T602-S605 PolarHBondContact OG1-N 2.87Å
606	R	90.4	Very high	91.1	Very high	151 Å²	151	56 Å²	56	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-76.7	-41	177.6	-68.6	177.8	177.8	170	0.8	113.3	T601 T602 A603 C604	T601-R606 PolarHBondContact O-NE 3.47Å; T602-R606 PolarHBondContact O-N 2.77Å; A603-R606 PolarHBondContact O-N 2.86Å; C604-R606 PolarHBondContact O-N 3.47Å
607	N	92.6	Very high	91.2	Very high	47 Å²	47	53 Å²	53	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-103.6	-29.6	-164.1	-63.6	-30.1	0	0	0	114.9	A603 C604 K609 F629 R631	A603-N607 VanDerWaalsContact O-CB 3.29Å; A603-N607 WeakPolarHBondContact O-CB 2.95Å; A603-N607 PolarHBondContact O-N 3.34Å; A603-N607 PolarHBondContact O-ND2 3.05Å; C604-N607 PolarHBondContact O-N 3.39Å; N607-K609 PolarHBondContact O-N 2.92Å; N607-F629 HydrophobicContact CB-CB 3.88Å; N607-F629 HydrophobicContact CB-CD1 3.69Å; N607-F629 HydrophobicContact CB-CD2 3.96Å; N607-F629 HydrophobicContact CB-CE1 4.18Å; N607-F629 HydrophobicContact CB-CE2 4.43Å; N607-F629 HydrophobicContact CB-CG 3.57Å; N607-R631 VanDerWaalsContact CG-NH2 3.31Å; N607-R631 PolarHBondContact O-NE 2.88Å; N607-R631 PolarHBondContact OD1-NH2 3.06Å
608	C	93.5	Very high	91.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.298	C	S	.	.			trans	-78.5	97	-178.6	-170.3	0	0	0	0	109.6	R321 C604 C619	R321-C608 VanDerWaalsContact CZ-O 3.31Å; R321-C608 PolarHBondContact NH1-O 2.76Å; R321-C608 PolarHBondContact NH2-O 2.76Å; C604-C608 WeakPolarHBondContact O-CB 3.17Å; C604-C608 PolarHBondContact O-N 2.76Å; C608-C619 HydrophobicContact CB-CB 3.73Å; C608-C619 WeakPolarHBondContact CB-SG 3.42Å; C608-C619 WeakPolarHBondContact SG-CB 3.43Å; C608-C619 CovalentContact SG-SG 2.02Å; C608-C619 PolarHBondContact SG-SG 3.47Å
609	K	89.6	Confident	91.7	Very high	155 Å²	155	49.4 Å²	49.4	67%	0.674	27%	0.27	S	S	*	.			trans	-106.6	-39.4	179.7	-70.1	-172.3	178.5	-178.9	0	113	N607 G611	N607-K609 PolarHBondContact O-N 2.92Å; K609-G611 VanDerWaalsContact C-N 3.33Å; K609-G611 PolarHBondContact O-N 3.14Å
610	N	92.2	Very high	91.9	Very high	52 Å²	52	45.2 Å²	45.2	28%	0.278	25%	0.248	S	C	.	.	S	Bend	trans	-100.4	55	-178.3	-49	-47.3	0	0	0	110.9	S622 W625 C630	N610-S622 PolarHBondContact O-N 3Å; N610-W625 HydrophobicContact CB-CB 4.25Å; N610-W625 HydrophobicContact CB-CD2 3.48Å; N610-W625 VanDerWaalsContact CB-CD2 3.48Å; N610-W625 HydrophobicContact CB-CE3 4.04Å; N610-W625 HydrophobicContact CB-CG 3.57Å; N610-W625 HydrophobicContact CB-CZ2 4.28Å; N610-W625 VanDerWaalsContact ND2-CH2 3.25Å; N610-W625 WeakPolarHBondContact ND2-CH2 3.48Å; N610-W625 WeakPolarHBondContact ND2-CZ2 3.38Å; N610-W625 WeakPolarHBondContact ND2-CZ3 3.35Å; N610-C630 HydrophobicContact CB-CB 4.34Å; N610-C630 WeakPolarHBondContact CB-O 3.42Å; N610-C630 PolarHBondContact ND2-O 3.36Å; N610-C630 WeakPolarHBondContact O-CB 3.47Å
611	G	91.8	Very high	92.1	Very high	20 Å²	20	46.8 Å²	46.8	21%	0.206	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.9	-173.8	-173.1	0	0	0	0	0	111.1	K609 C620	K609-G611 VanDerWaalsContact C-N 3.33Å; K609-G611 PolarHBondContact O-N 3.14Å; G611-C620 CarbonylContact C-O 3.57Å; G611-C620 WeakPolarHBondContact CA-O 3.34Å
612	H	91.8	Very high	92.4	Very high	67 Å²	67	45.9 Å²	45.9	31%	0.31	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	152.9	175	64.6	-89.6	0	0	0	110.7	C620	H612-C620 VanDerWaalsContact CE1-CB 3.45Å; H612-C620 WeakPolarHBondContact CE1-CB 3.21Å; H612-C620 PolarHBondContact N-O 2.98Å; H612-C620 WeakPolarHBondContact NE2-CB 3.21Å; H612-C620 PolarHBondContact O-N 3.35Å
613	C	93.4	Very high	92.5	Very high	18 Å²	18	49.5 Å²	49.5	12%	0.122	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.4	174.4	-66.1	0	0	0	0	109.9	K291 C604 K618	K291-C613 WeakPolarHBondContact CE-O 3.35Å; K291-C613 PolarHBondContact NZ-O 2.89Å; C604-C613 HydrophobicContact CB-CB 4.04Å; C604-C613 WeakPolarHBondContact CB-SG 3.12Å; C604-C613 PolarHBondContact O-SG 3.01Å; C604-C613 VanDerWaalsContact SG-CA 3.56Å; C604-C613 WeakPolarHBondContact SG-CB 3.21Å; C604-C613 CovalentContact SG-SG 2.03Å; C604-C613 PolarHBondContact SG-SG 3.02Å; C613-K618 CarbonylContact C-O 3.59Å; C613-K618 VanDerWaalsContact CA-O 3.28Å; C613-K618 WeakPolarHBondContact CA-O 3.5Å
614	T	93.8	Very high	92.5	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.043	27%	0.271	C	S	.	.			trans	-68.4	161.4	166.5	62.9	0	0	0	0	110	T392 T616 G617 K618	T392-T614 VanDerWaalsContact O-CB 3.27Å; T392-T614 WeakPolarHBondContact O-CB 2.99Å; T392-T614 WeakPolarHBondContact O-CG2 3.39Å; T614-T616 PolarHBondContact O-N 2.8Å; T614-T616 PolarHBondContact OG1-OG1 3.06Å; T614-G617 PolarHBondContact O-N 3.09Å; T614-G617 PolarHBondContact OG1-N 2.87Å; T614-K618 HydrophobicContact CG2-CB 4.26Å; T614-K618 PolarHBondContact N-O 2.87Å; T614-K618 WeakPolarHBondContact OG1-CB 3.24Å; T614-K618 PolarHBondContact OG1-N 2.97Å; T614-K618 PolarHBondContact OG1-O 3.33Å
615	P	92.8	Very high	92.6	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.058	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.1	174.5	-29.9	40.2	0	0	0	114.3	N289 K291 Y293 E316 V390 D391 G617	N289-P615 WeakPolarHBondContact CB-O 3.37Å; N289-P615 PolarHBondContact ND2-O 2.87Å; N289-P615 VanDerWaalsContact ND2-O 3.11Å; K291-P615 HydrophobicContact CG-CB 4.34Å; K291-P615 HydrophobicContact CG-CG 4.28Å; Y293-P615 VanDerWaalsContact OH-CG 3.31Å; Y293-P615 WeakPolarHBondContact OH-CG 3.39Å; E316-P615 WeakPolarHBondContact OE2-CG 3.42Å; V390-P615 HydrophobicContact CB-CG 4.44Å; V390-P615 WeakPolarHBondContact O-CD 3.01Å; V390-P615 VanDerWaalsContact O-CG 3.27Å; V390-P615 WeakPolarHBondContact O-CG 3.29Å; D391-P615 WeakPolarHBondContact OD1-CB 3.07Å; P615-G617 VanDerWaalsContact C-N 3.33Å
616	T	92.6	Very high	92.7	Very high	64 Å²	64	53.3 Å²	53.3	39%	0.393	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-14.2	175.1	59.3	0	0	0	0	114	D391 D393 T614	D391-T616 HydrophobicContact CB-CG2 3.85Å; D391-T616 WeakPolarHBondContact O-CG2 3.38Å; D393-T616 WeakPolarHBondContact OD1-CB 3.06Å; D393-T616 PolarHBondContact OD1-OG1 3.29Å; T614-T616 PolarHBondContact O-N 2.8Å; T614-T616 PolarHBondContact OG1-OG1 3.06Å
617	G	91.7	Very high	92.8	Very high	36 Å²	36	47.6 Å²	47.6	37%	0.371	28%	0.282	S	S	.	.	S	Bend	trans	95.7	13.5	178.3	0	0	0	0	0	115.2	C604 T614 P615	C604-G617 VanDerWaalsContact CB-O 3.23Å; C604-G617 WeakPolarHBondContact CB-O 3.41Å; T614-G617 PolarHBondContact O-N 3.09Å; T614-G617 PolarHBondContact OG1-N 2.87Å; P615-G617 VanDerWaalsContact C-N 3.33Å
618	K	93.4	Very high	92.7	Very high	97 Å²	97	50.5 Å²	50.5	42%	0.422	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-79	142.4	169.7	-174.4	174.8	173.4	-179.2	0	110.4	D393 C613 T614	D393-K618 HydrophobicContact CB-CD 3.83Å; D393-K618 WeakPolarHBondContact O-CD 3.5Å; D393-K618 VanDerWaalsContact O-CE 3.29Å; D393-K618 WeakPolarHBondContact O-CE 2.77Å; D393-K618 PolarHBondContact O-NZ 3.21Å; C613-K618 CarbonylContact C-O 3.59Å; C613-K618 VanDerWaalsContact CA-O 3.28Å; C613-K618 WeakPolarHBondContact CA-O 3.5Å; T614-K618 HydrophobicContact CG2-CB 4.26Å; T614-K618 PolarHBondContact N-O 2.87Å; T614-K618 WeakPolarHBondContact OG1-CB 3.24Å; T614-K618 PolarHBondContact OG1-N 2.97Å; T614-K618 PolarHBondContact OG1-O 3.33Å
619	C	94.9	Very high	92.7	Very high	12 Å²	12	53.3 Å²	53.3	8%	0.081	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.4	177.1	-176.5	0	0	0	0	110.3	C608 P628 F629 C630	C608-C619 HydrophobicContact CB-CB 3.73Å; C608-C619 WeakPolarHBondContact CB-SG 3.42Å; C608-C619 WeakPolarHBondContact SG-CB 3.43Å; C608-C619 CovalentContact SG-SG 2.02Å; C608-C619 PolarHBondContact SG-SG 3.47Å; C619-P628 WeakPolarHBondContact CB-O 3.27Å; C619-F629 HydrophobicContact CB-CD1 4.31Å; C619-F629 VanDerWaalsContact SG-C 3.56Å; C619-C630 PolarHBondContact SG-SG 3.45Å
620	C	94.3	Very high	93	Very high	1 Å²	1	46 Å²	46	1%	0.007	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.4	176.9	-70.8	0	0	0	0	110.4	C395 G611 H612	C395-C620 WeakPolarHBondContact CA-SG 3.18Å; C395-C620 HydrophobicContact CB-CB 3.56Å; C395-C620 WeakPolarHBondContact CB-SG 3.43Å; C395-C620 WeakPolarHBondContact SG-CA 3.43Å; C395-C620 WeakPolarHBondContact SG-CB 3.32Å; C395-C620 CovalentContact SG-SG 2.04Å; C395-C620 PolarHBondContact SG-SG 3.45Å; G611-C620 CarbonylContact C-O 3.57Å; G611-C620 WeakPolarHBondContact CA-O 3.34Å; H612-C620 VanDerWaalsContact CE1-CB 3.45Å; H612-C620 WeakPolarHBondContact CE1-CB 3.21Å; H612-C620 PolarHBondContact N-O 2.98Å; H612-C620 WeakPolarHBondContact NE2-CB 3.21Å; H612-C620 PolarHBondContact O-N 3.35Å
621	C	94.8	Very high	93	Very high	49 Å²	49	50.6 Å²	50.6	33%	0.331	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	141.8	-169.8	-56	0	0	0	0	113.2	W625 C630	C621-W625 HydrophobicContact CB-CB 4.14Å; C621-W625 WeakPolarHBondContact CB-O 3.43Å; C621-C630 WeakPolarHBondContact CA-SG 3.22Å; C621-C630 HydrophobicContact CB-CB 3.7Å; C621-C630 WeakPolarHBondContact CB-SG 3.13Å; C621-C630 PolarHBondContact N-SG 2.97Å; C621-C630 WeakPolarHBondContact SG-CA 3.41Å; C621-C630 WeakPolarHBondContact SG-CB 3.36Å; C621-C630 CovalentContact SG-SG 2.02Å; C621-C630 PolarHBondContact SG-SG 3.09Å
622	S	92.5	Very high	93	Very high	63 Å²	63	54 Å²	54	44%	0.441	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-65.4	159.5	164.2	-58.1	0	0	0	0	110.6	N610 G624 W625	N610-S622 PolarHBondContact O-N 3Å; S622-G624 PolarHBondContact O-N 2.98Å; S622-W625 PolarHBondContact O-N 3.33Å; S622-W625 VanDerWaalsContact O-N 3.12Å
623	S	92.3	Very high	93.1	Very high	122 Å²	122	51.3 Å²	51.3	85%	0.853	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	133.7	177.7	-171.3	0	0	0	0	111.3
624	G	91.7	Very high	93.1	Very high	19 Å²	19	55.2 Å²	55.2	20%	0.196	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	8.9	-178.3	0	0	0	0	0	115.8	S622 K634	S622-G624 PolarHBondContact O-N 2.98Å; G624-K634 PolarHBondContact O-N 3.2Å
625	W	94.1	Very high	93	Very high	49 Å²	49	56 Å²	56	19%	0.186	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.3	174.6	-65.5	89.8	0	0	0	112.2	N610 C621 S622 C630 I632 A633 P648	N610-W625 HydrophobicContact CB-CB 4.25Å; N610-W625 HydrophobicContact CB-CD2 3.48Å; N610-W625 VanDerWaalsContact CB-CD2 3.48Å; N610-W625 HydrophobicContact CB-CE3 4.04Å; N610-W625 HydrophobicContact CB-CG 3.57Å; N610-W625 HydrophobicContact CB-CZ2 4.28Å; N610-W625 VanDerWaalsContact ND2-CH2 3.25Å; N610-W625 WeakPolarHBondContact ND2-CH2 3.48Å; N610-W625 WeakPolarHBondContact ND2-CZ2 3.38Å; N610-W625 WeakPolarHBondContact ND2-CZ3 3.35Å; C621-W625 HydrophobicContact CB-CB 4.14Å; C621-W625 WeakPolarHBondContact CB-O 3.43Å; S622-W625 PolarHBondContact O-N 3.33Å; S622-W625 VanDerWaalsContact O-N 3.12Å; W625-C630 HydrophobicContact CB-CB 4.17Å; W625-I632 CarbonylContact C-O 3.51Å; W625-I632 WeakPolarHBondContact CA-O 3.4Å; W625-A633 HydrophobicContact CE3-CB 4.17Å; W625-A633 HydrophobicContact CH2-CB 4.27Å; W625-A633 HydrophobicContact CZ3-CB 3.93Å; W625-P648 HydrophobicContact CD2-CG 4.45Å; W625-P648 HydrophobicContact CZ2-CG 4.21Å
626	E	93.2	Very high	92.9	Very high	81 Å²	81	63.8 Å²	63.8	38%	0.379	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	-177.6	179.4	73.6	175.4	174	0	0	114.4	C630 R631 I632 K634	E626-C630 CarbonylContact O-C 3.53Å; E626-C630 VanDerWaalsContact O-CA 3.24Å; E626-C630 WeakPolarHBondContact O-CA 3.24Å; E626-R631 PolarHBondContact O-N 3.28Å; E626-I632 HydrophobicContact CG-CB 3.82Å; E626-I632 HydrophobicContact CG-CG2 3.87Å; E626-I632 PolarHBondContact N-O 3.12Å; E626-I632 PolarHBondContact O-N 3.12Å; E626-I632 VanDerWaalsContact O-N 3.12Å; E626-K634 HydrophobicContact CB-CD 4.18Å; E626-K634 HydrophobicContact CB-CG 4.09Å; E626-K634 VanDerWaalsContact CD-CE 3.47Å; E626-K634 HydrophobicContact CG-CD 4.44Å; E626-K634 HydrophobicContact CG-CG 3.87Å; E626-K634 WeakPolarHBondContact OE2-CE 3.37Å; E626-K634 IonicContact OE2-NZ 2.84Å
627	G	91.6	Very high	92.8	Very high	32 Å²	32	64.4 Å²	64.4	33%	0.33	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	173.3	-172.8	0	0	0	0	0	112.5	F629 C630	G627-F629 PolarHBondContact O-N 3.1Å; G627-F629 VanDerWaalsContact O-N 3.09Å; G627-C630 PolarHBondContact O-N 3.11Å
628	P	91.3	Very high	92.8	Very high	108 Å²	108	66 Å²	66	70%	0.701	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.9	-170.8	25.3	-35.1	0	0	0	114.4	C619	C619-P628 WeakPolarHBondContact CB-O 3.27Å
629	F	94.1	Very high	92.8	Very high	59 Å²	59	62.7 Å²	62.7	26%	0.259	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	21.1	178	-62.8	-68.6	0	0	0	112.9	A603 N607 C619 G627 R631	A603-F629 HydrophobicContact CB-CE1 4.39Å; A603-F629 HydrophobicContact CB-CZ 4.19Å; N607-F629 HydrophobicContact CB-CB 3.88Å; N607-F629 HydrophobicContact CB-CD1 3.69Å; N607-F629 HydrophobicContact CB-CD2 3.96Å; N607-F629 HydrophobicContact CB-CE1 4.18Å; N607-F629 HydrophobicContact CB-CE2 4.43Å; N607-F629 HydrophobicContact CB-CG 3.57Å; C619-F629 HydrophobicContact CB-CD1 4.31Å; C619-F629 VanDerWaalsContact SG-C 3.56Å; G627-F629 PolarHBondContact O-N 3.1Å; G627-F629 VanDerWaalsContact O-N 3.09Å; F629-R631 VanDerWaalsContact C-N 3.3Å; F629-R631 HydrophobicContact CB-CG 4.38Å; F629-R631 PolarHBondContact O-N 3.16Å
630	C	94.8	Very high	92.7	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	42	176.5	-46.3	0	0	0	0	113.5	N610 C619 C621 W625 E626 G627	N610-C630 HydrophobicContact CB-CB 4.34Å; N610-C630 WeakPolarHBondContact CB-O 3.42Å; N610-C630 PolarHBondContact ND2-O 3.36Å; N610-C630 WeakPolarHBondContact O-CB 3.47Å; C619-C630 PolarHBondContact SG-SG 3.45Å; C621-C630 WeakPolarHBondContact CA-SG 3.22Å; C621-C630 HydrophobicContact CB-CB 3.7Å; C621-C630 WeakPolarHBondContact CB-SG 3.13Å; C621-C630 PolarHBondContact N-SG 2.97Å; C621-C630 WeakPolarHBondContact SG-CA 3.41Å; C621-C630 WeakPolarHBondContact SG-CB 3.36Å; C621-C630 CovalentContact SG-SG 2.02Å; C621-C630 PolarHBondContact SG-SG 3.09Å; W625-C630 HydrophobicContact CB-CB 4.17Å; E626-C630 CarbonylContact O-C 3.53Å; E626-C630 VanDerWaalsContact O-CA 3.24Å; E626-C630 WeakPolarHBondContact O-CA 3.24Å; G627-C630 PolarHBondContact O-N 3.11Å
631	R	92.8	Very high	92.5	Very high	149 Å²	149	73 Å²	73	56%	0.562	40%	0.401	S	S	*	.			trans	-98.9	-17.6	-179.9	-69.9	-172.3	175.9	-175.8	-3.1	113.2	N607 E626 F629	N607-R631 VanDerWaalsContact CG-NH2 3.31Å; N607-R631 PolarHBondContact O-NE 2.88Å; N607-R631 PolarHBondContact OD1-NH2 3.06Å; E626-R631 PolarHBondContact O-N 3.28Å; F629-R631 VanDerWaalsContact C-N 3.3Å; F629-R631 HydrophobicContact CB-CG 4.38Å; F629-R631 PolarHBondContact O-N 3.16Å
632	I	90.9	Very high	92.2	Very high	93 Å²	93	73.6 Å²	73.6	48%	0.477	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.8	-178	-56.3	171.9	0	0	0	106.7	W625 E626	W625-I632 CarbonylContact C-O 3.51Å; W625-I632 WeakPolarHBondContact CA-O 3.4Å; E626-I632 HydrophobicContact CG-CB 3.82Å; E626-I632 HydrophobicContact CG-CG2 3.87Å; E626-I632 PolarHBondContact N-O 3.12Å; E626-I632 PolarHBondContact O-N 3.12Å; E626-I632 VanDerWaalsContact O-N 3.12Å
633	A	93.7	Very high	92.2	Very high	10 Å²	10	71.2 Å²	71.2	8%	0.083	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	141.8	174	0	0	0	0	0	110.2	W625 C645 E647	W625-A633 HydrophobicContact CE3-CB 4.17Å; W625-A633 HydrophobicContact CH2-CB 4.27Å; W625-A633 HydrophobicContact CZ3-CB 3.93Å; A633-C645 VanDerWaalsContact C-SG 3.6Å; A633-C645 PolarHBondContact O-SG 2.99Å; A633-C645 VanDerWaalsContact O-SG 3.34Å; A633-E647 VanDerWaalsContact CB-C 3.47Å
634	K	93.3	Very high	92.2	Very high	100 Å²	100	69.6 Å²	69.6	44%	0.435	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-94.7	131	172.9	-74.4	-178.2	156.4	169.6	0	109.9	G624 E626 P648 N649	G624-K634 PolarHBondContact O-N 3.2Å; E626-K634 HydrophobicContact CB-CD 4.18Å; E626-K634 HydrophobicContact CB-CG 4.09Å; E626-K634 VanDerWaalsContact CD-CE 3.47Å; E626-K634 HydrophobicContact CG-CD 4.44Å; E626-K634 HydrophobicContact CG-CG 3.87Å; E626-K634 WeakPolarHBondContact OE2-CE 3.37Å; E626-K634 IonicContact OE2-NZ 2.84Å; K634-P648 WeakPolarHBondContact O-CA 3.28Å; K634-N649 PolarHBondContact O-N 2.75Å
635	C	91.8	Very high	92.3	Very high	22 Å²	22	70.3 Å²	70.3	15%	0.149	39%	0.388	C	S	.	.			trans	-121.9	120.5	172.4	-73	0	0	0	0	108.5	P637 A638 C645 K650	C635-P637 CarbonylContact C-O 3.32Å; C635-P637 CarbonylContact O-C 3.58Å; C635-P637 VanDerWaalsContact O-C 3.3Å; C635-A638 WeakPolarHBondContact O-CA 3.21Å; C635-A638 PolarHBondContact O-N 2.85Å; C635-C645 HydrophobicContact CB-CB 3.86Å; C635-C645 WeakPolarHBondContact CB-SG 3.04Å; C635-C645 PolarHBondContact N-SG 2.05Å; C635-C645 WeakPolarHBondContact SG-CB 3.06Å; C635-C645 CovalentContact SG-SG 2.04Å; C635-C645 PolarHBondContact SG-SG 3.31Å; C635-K650 PolarHBondContact SG-N 3.16Å; C635-K650 VanDerWaalsContact SG-N 3.4Å
636	E	90.8	Very high	92.2	Very high	173 Å²	173	71.4 Å²	71.4	81%	0.808	40%	0.397	S	S	*	.	S	Bend	trans	-129.6	107.9	177.8	-160.2	157.1	-153.8	0	0	109.2	N649	E636-N649 PolarHBondContact N-OD1 3.15Å
637	P	90.8	Very high	92	Very high	78 Å²	78	72 Å²	72	51%	0.506	40%	0.399	S	S	.	.	S	Bend	cis	-69.2	157	3	-15.8	30.4	0	0	0	114.4	C635 Q661	C635-P637 CarbonylContact C-O 3.32Å; C635-P637 CarbonylContact O-C 3.58Å; C635-P637 VanDerWaalsContact O-C 3.3Å; P637-Q661 HydrophobicContact CB-CG 4.45Å
638	A	92.4	Very high	92.1	Very high	69 Å²	69	72.8 Å²	72.8	57%	0.57	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-62	147.8	178.7	0	0	0	0	0	112.8	C635	C635-A638 WeakPolarHBondContact O-CA 3.21Å; C635-A638 PolarHBondContact O-N 2.85Å
639	C	92.5	Very high	92.1	Very high	28 Å²	28	72.6 Å²	72.6	19%	0.189	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-61.6	134.4	174.6	-52.2	0	0	0	0	111.1	G643 C651	C639-G643 WeakPolarHBondContact CB-O 3.46Å; C639-C651 WeakPolarHBondContact CA-SG 3.47Å; C639-C651 HydrophobicContact CB-CB 3.73Å; C639-C651 WeakPolarHBondContact CB-SG 3.47Å; C639-C651 VanDerWaalsContact SG-CA 3.51Å; C639-C651 WeakPolarHBondContact SG-CB 3.17Å; C639-C651 CovalentContact SG-SG 2.02Å; C639-C651 PolarHBondContact SG-SG 3.34Å
640	R	92.6	Very high	92	Very high	157 Å²	157	74.9 Å²	74.9	59%	0.592	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-102.3	171.7	-177.8	-61.4	-172.6	174.5	-168.4	-1.4	111.3	G642 G643 Q661 C662	R640-G642 PolarHBondContact O-N 3.49Å; R640-G642 VanDerWaalsContact O-N 3.1Å; R640-G643 PolarHBondContact O-N 3.02Å; R640-Q661 WeakPolarHBondContact CB-O 3.39Å; R640-Q661 PolarHBondContact N-O 3.32Å; R640-C662 WeakPolarHBondContact O-CB 3.39Å
641	N	90.8	Very high	91.9	Very high	71 Å²	71	75.8 Å²	75.8	38%	0.38	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	34.4	171.5	-60.7	-41.6	0	0	0	115	G643 Y657 C662	N641-G643 VanDerWaalsContact C-N 3.29Å; N641-G643 PolarHBondContact O-N 2.85Å; N641-Y657 HydrophobicContact CB-CD1 3.39Å; N641-Y657 HydrophobicContact CB-CD2 4.09Å; N641-Y657 HydrophobicContact CB-CE1 3.46Å; N641-Y657 VanDerWaalsContact CB-CE1 3.46Å; N641-Y657 HydrophobicContact CB-CE2 4.15Å; N641-Y657 HydrophobicContact CB-CG 3.71Å; N641-Y657 VanDerWaalsContact CG-CD1 3.43Å; N641-Y657 WeakPolarHBondContact ND2-CD1 3.37Å; N641-Y657 WeakPolarHBondContact ND2-CE1 3.33Å; N641-C662 PolarHBondContact ND2-O 3.21Å
642	G	88.4	Confident	92	Very high	62 Å²	62	73.7 Å²	73.7	64%	0.639	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	14.5	-178.5	0	0	0	0	0	114.4	R640	R640-G642 PolarHBondContact O-N 3.49Å; R640-G642 VanDerWaalsContact O-N 3.1Å
643	G	91.4	Very high	92.1	Very high	13 Å²	13	71 Å²	71	13%	0.134	40%	0.397	C	S	.	.			trans	-67.6	148.6	169.6	0	0	0	0	0	112.1	C639 R640 N641 L652	C639-G643 WeakPolarHBondContact CB-O 3.46Å; R640-G643 PolarHBondContact O-N 3.02Å; N641-G643 VanDerWaalsContact C-N 3.29Å; N641-G643 PolarHBondContact O-N 2.85Å; G643-L652 CarbonylContact C-O 3.51Å; G643-L652 WeakPolarHBondContact CA-O 3.22Å
644	V	93	Very high	92	Very high	88 Å²	88	77.4 Å²	77.4	53%	0.533	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.9	-177.3	-179.1	0	0	0	0	109.8	I646 L652	V644-I646 HydrophobicContact CG1-CG2 4.49Å; V644-I646 PolarHBondContact O-N 3.24Å; V644-L652 PolarHBondContact N-O 2.87Å; V644-L652 PolarHBondContact O-N 3.02Å
645	C	93.1	Very high	91.8	Very high	34 Å²	34	78.4 Å²	78.4	23%	0.23	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	109.3	174.5	-168.7	0	0	0	0	109.5	A633 C635 E647	A633-C645 VanDerWaalsContact C-SG 3.6Å; A633-C645 PolarHBondContact O-SG 2.99Å; A633-C645 VanDerWaalsContact O-SG 3.34Å; C635-C645 HydrophobicContact CB-CB 3.86Å; C635-C645 WeakPolarHBondContact CB-SG 3.04Å; C635-C645 PolarHBondContact N-SG 2.05Å; C635-C645 WeakPolarHBondContact SG-CB 3.06Å; C635-C645 CovalentContact SG-SG 2.04Å; C635-C645 PolarHBondContact SG-SG 3.31Å; C645-E647 PolarHBondContact SG-O 3.19Å; C645-E647 VanDerWaalsContact SG-O 3.38Å
646	I	92.3	Very high	91.7	Very high	73 Å²	73	78.9 Å²	78.9	37%	0.374	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-29.6	-176.1	54.3	164.4	0	0	0	112.5	V644 K650 L652	V644-I646 HydrophobicContact CG1-CG2 4.49Å; V644-I646 PolarHBondContact O-N 3.24Å; I646-K650 HydrophobicContact CD1-CD 4.33Å; I646-K650 HydrophobicContact CG1-CD 4.47Å; I646-K650 HydrophobicContact CG1-CG 4.39Å; I646-K650 PolarHBondContact N-O 3.14Å; I646-L652 HydrophobicContact CD1-CB 4.19Å; I646-L652 HydrophobicContact CG1-CB 4.33Å; I646-L652 HydrophobicContact CG2-CB 3.8Å; I646-L652 HydrophobicContact CG2-CD2 4.29Å
647	E	90.3	Very high	91.7	Very high	92 Å²	92	73.7 Å²	73.7	43%	0.43	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	161.6	177.4	-66	177.4	155	0	0	108.3	A633 C645 N649 K650	A633-E647 VanDerWaalsContact CB-C 3.47Å; C645-E647 PolarHBondContact SG-O 3.19Å; C645-E647 VanDerWaalsContact SG-O 3.38Å; E647-N649 PolarHBondContact O-N 3.04Å; E647-N649 VanDerWaalsContact O-N 3.11Å; E647-K650 HydrophobicContact CB-CB 3.99Å; E647-K650 HydrophobicContact CB-CD 4.13Å; E647-K650 HydrophobicContact CG-CD 4.46Å; E647-K650 PolarHBondContact O-N 3.24Å; E647-K650 WeakPolarHBondContact OE2-CD 3.36Å; E647-K650 IonicContact OE2-NZ 2.77Å; E647-K650 PolarHBondContact OE2-NZ 3.42Å
648	P	92.2	Very high	91.6	Very high	49 Å²	49	71.8 Å²	71.8	32%	0.318	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	120.6	178.3	-30	35.8	0	0	0	112.3	W625 K634 K650	W625-P648 HydrophobicContact CD2-CG 4.45Å; W625-P648 HydrophobicContact CZ2-CG 4.21Å; K634-P648 WeakPolarHBondContact O-CA 3.28Å; P648-K650 PolarHBondContact O-N 3.19Å
649	N	91.3	Very high	91.4	Very high	105 Å²	105	70 Å²	70	56%	0.561	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	26.5	-177.2	-62.9	-30.5	0	0	0	115.7	K634 E636 E647	K634-N649 PolarHBondContact O-N 2.75Å; E636-N649 PolarHBondContact N-OD1 3.15Å; E647-N649 PolarHBondContact O-N 3.04Å; E647-N649 VanDerWaalsContact O-N 3.11Å
650	K	92.6	Very high	91.2	Very high	106 Å²	106	71.8 Å²	71.8	46%	0.461	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117.1	177	-170	-177.3	179.6	178	0	111.7	C635 I646 E647 P648	C635-K650 PolarHBondContact SG-N 3.16Å; C635-K650 VanDerWaalsContact SG-N 3.4Å; I646-K650 HydrophobicContact CD1-CD 4.33Å; I646-K650 HydrophobicContact CG1-CD 4.47Å; I646-K650 HydrophobicContact CG1-CG 4.39Å; I646-K650 PolarHBondContact N-O 3.14Å; E647-K650 HydrophobicContact CB-CB 3.99Å; E647-K650 HydrophobicContact CB-CD 4.13Å; E647-K650 HydrophobicContact CG-CD 4.46Å; E647-K650 PolarHBondContact O-N 3.24Å; E647-K650 WeakPolarHBondContact OE2-CD 3.36Å; E647-K650 IonicContact OE2-NZ 2.77Å; E647-K650 PolarHBondContact OE2-NZ 3.42Å; P648-K650 PolarHBondContact O-N 3.19Å
651	C	92.9	Very high	91.2	Very high	19 Å²	19	66.8 Å²	66.8	13%	0.128	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.7	179.9	-61.6	0	0	0	0	111.5	C639 C662	C639-C651 WeakPolarHBondContact CA-SG 3.47Å; C639-C651 HydrophobicContact CB-CB 3.73Å; C639-C651 WeakPolarHBondContact CB-SG 3.47Å; C639-C651 VanDerWaalsContact SG-CA 3.51Å; C639-C651 WeakPolarHBondContact SG-CB 3.17Å; C639-C651 CovalentContact SG-SG 2.02Å; C639-C651 PolarHBondContact SG-SG 3.34Å; C651-C662 VanDerWaalsContact CB-SG 3.56Å
652	L	94.4	Very high	91.3	Very high	105 Å²	105	63.4 Å²	63.4	55%	0.55	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	112.9	163.7	-179.5	64.8	0	0	0	108.5	G643 V644 I646	G643-L652 CarbonylContact C-O 3.51Å; G643-L652 WeakPolarHBondContact CA-O 3.22Å; V644-L652 PolarHBondContact N-O 2.87Å; V644-L652 PolarHBondContact O-N 3.02Å; I646-L652 HydrophobicContact CD1-CB 4.19Å; I646-L652 HydrophobicContact CG1-CB 4.33Å; I646-L652 HydrophobicContact CG2-CB 3.8Å; I646-L652 HydrophobicContact CG2-CD2 4.29Å
653	C	92.9	Very high	91.5	Very high	38 Å²	38	63.8 Å²	63.8	26%	0.257	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-85.6	146	-177	-53.4	0	0	0	0	112.3	Y657 C662	C653-Y657 VanDerWaalsContact CB-O 3.23Å; C653-Y657 WeakPolarHBondContact CB-O 3.37Å; C653-C662 WeakPolarHBondContact CA-SG 3.41Å; C653-C662 HydrophobicContact CB-CB 3.68Å; C653-C662 WeakPolarHBondContact CB-SG 3.48Å; C653-C662 WeakPolarHBondContact SG-CA 3.11Å; C653-C662 WeakPolarHBondContact SG-CB 3.33Å; C653-C662 CovalentContact SG-SG 2.03Å; C653-C662 PolarHBondContact SG-SG 3.45Å
654	K	91.9	Very high	91.4	Very high	143 Å²	143	69.2 Å²	69.2	62%	0.622	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-73	150.7	170.9	-163.5	175.4	-178.7	179.3	0	109.5	G656 Y657	K654-G656 PolarHBondContact O-N 2.54Å; K654-Y657 PolarHBondContact O-N 2.97Å
655	S	89.8	Confident	91	Very high	122 Å²	122	67.8 Å²	67.8	85%	0.853	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	131.3	178.5	-168.6	0	0	0	0	112.3
656	G	88.6	Confident	90	Very high	31 Å²	31	71.8 Å²	71.8	32%	0.32	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.4	3.7	-177.2	0	0	0	0	0	115.4	K654 E666	K654-G656 PolarHBondContact O-N 2.54Å; G656-E666 PolarHBondContact O-N 3.04Å
657	Y	91.1	Very high	88.6	Confident	65 Å²	65	78.6 Å²	78.6	26%	0.255	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.2	171.1	-64	-87.7	0	0	0	111.1	N641 C653 K654 K664	N641-Y657 HydrophobicContact CB-CD1 3.39Å; N641-Y657 HydrophobicContact CB-CD2 4.09Å; N641-Y657 HydrophobicContact CB-CE1 3.46Å; N641-Y657 VanDerWaalsContact CB-CE1 3.46Å; N641-Y657 HydrophobicContact CB-CE2 4.15Å; N641-Y657 HydrophobicContact CB-CG 3.71Å; N641-Y657 VanDerWaalsContact CG-CD1 3.43Å; N641-Y657 WeakPolarHBondContact ND2-CD1 3.37Å; N641-Y657 WeakPolarHBondContact ND2-CE1 3.33Å; C653-Y657 VanDerWaalsContact CB-O 3.23Å; C653-Y657 WeakPolarHBondContact CB-O 3.37Å; K654-Y657 PolarHBondContact O-N 2.97Å; Y657-K664 CarbonylContact C-O 3.5Å; Y657-K664 WeakPolarHBondContact CA-O 3.47Å
658	S	88.3	Confident	86.8	Confident	38 Å²	38	77.5 Å²	77.5	27%	0.266	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	-179.9	179	56.1	0	0	0	0	111.1	C662 E663 K664 E666	S658-C662 CarbonylContact O-C 3.5Å; S658-C662 WeakPolarHBondContact O-CA 3.14Å; S658-E663 PolarHBondContact O-N 2.89Å; S658-K664 PolarHBondContact N-O 3.16Å; S658-K664 WeakPolarHBondContact O-CA 3.4Å; S658-K664 VanDerWaalsContact O-CB 3.29Å; S658-K664 WeakPolarHBondContact O-CB 2.99Å; S658-K664 PolarHBondContact O-N 3.03Å; S658-E666 VanDerWaalsContact CB-OE1 3.24Å; S658-E666 WeakPolarHBondContact CB-OE1 3Å; S658-E666 WeakPolarHBondContact OG-CG 3.38Å; S658-E666 PolarHBondContact OG-OE1 3.19Å
659	G	89	Confident	84.5	Confident	32 Å²	32	83.5 Å²	83.5	33%	0.33	46%	0.457	S	S	.	.	S	Bend	trans	101.6	166.9	-170.6	0	0	0	0	0	112.8	Q661 C662 E663	G659-Q661 PolarHBondContact O-N 3.48Å; G659-C662 PolarHBondContact O-N 3.24Å; G659-E663 WeakPolarHBondContact CA-OE1 3.41Å
660	A	89.1	Confident	82.1	Confident	64 Å²	64	84.1 Å²	84.1	53%	0.529	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-27.7	-171.9	0	0	0	0	0	112.6	E663	A660-E663 PolarHBondContact N-OE1 2.94Å; A660-E663 PolarHBondContact N-OE2 2.84Å
661	Q	92.1	Very high	79.6	Confident	52 Å²	52	86 Å²	86	24%	0.243	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	21.6	175.7	-61.8	80.3	19.1	0	0	111.6	P637 R640 G659 E663	P637-Q661 HydrophobicContact CB-CG 4.45Å; R640-Q661 WeakPolarHBondContact CB-O 3.39Å; R640-Q661 PolarHBondContact N-O 3.32Å; G659-Q661 PolarHBondContact O-N 3.48Å; Q661-E663 VanDerWaalsContact C-OE2 3.25Å; Q661-E663 VanDerWaalsContact CA-OE2 3.3Å; Q661-E663 WeakPolarHBondContact CA-OE2 3.33Å; Q661-E663 PolarHBondContact N-OE2 3.17Å; Q661-E663 PolarHBondContact O-N 2.85Å
662	C	92.3	Very high	77.3	Confident	0 Å²	0	92.1 Å²	92.1	0%	0	51%	0.513	C	S	.	.	S	Bend	trans	59.3	29.3	-176.3	-45.6	0	0	0	0	113.5	R640 N641 C651 C653 S658 G659	R640-C662 WeakPolarHBondContact O-CB 3.39Å; N641-C662 PolarHBondContact ND2-O 3.21Å; C651-C662 VanDerWaalsContact CB-SG 3.56Å; C653-C662 WeakPolarHBondContact CA-SG 3.41Å; C653-C662 HydrophobicContact CB-CB 3.68Å; C653-C662 WeakPolarHBondContact CB-SG 3.48Å; C653-C662 WeakPolarHBondContact SG-CA 3.11Å; C653-C662 WeakPolarHBondContact SG-CB 3.33Å; C653-C662 CovalentContact SG-SG 2.03Å; C653-C662 PolarHBondContact SG-SG 3.45Å; S658-C662 CarbonylContact O-C 3.5Å; S658-C662 WeakPolarHBondContact O-CA 3.14Å; G659-C662 PolarHBondContact O-N 3.24Å
663	E	92.1	Very high	74.7	Confident	71 Å²	71	95.6 Å²	95.6	33%	0.332	53%	0.527	S	S	.	.			trans	-79	-22	-174	71.2	-73.8	172.4	0	0	113.7	S658 G659 A660 Q661	S658-E663 PolarHBondContact O-N 2.89Å; G659-E663 WeakPolarHBondContact CA-OE1 3.41Å; A660-E663 PolarHBondContact N-OE1 2.94Å; A660-E663 PolarHBondContact N-OE2 2.84Å; Q661-E663 VanDerWaalsContact C-OE2 3.25Å; Q661-E663 VanDerWaalsContact CA-OE2 3.3Å; Q661-E663 WeakPolarHBondContact CA-OE2 3.33Å; Q661-E663 PolarHBondContact N-OE2 3.17Å; Q661-E663 PolarHBondContact O-N 2.85Å
664	K	90.3	Very high	72.7	Confident	126 Å²	126	102 Å²	102	55%	0.548	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.5	131.1	-179.1	-54.4	-179	-177.3	178	0	109.6	Y657 S658	Y657-K664 CarbonylContact C-O 3.5Å; Y657-K664 WeakPolarHBondContact CA-O 3.47Å; S658-K664 PolarHBondContact N-O 3.16Å; S658-K664 WeakPolarHBondContact O-CA 3.4Å; S658-K664 VanDerWaalsContact O-CB 3.29Å; S658-K664 WeakPolarHBondContact O-CB 2.99Å; S658-K664 PolarHBondContact O-N 3.03Å
665	S	85.3	Confident	70.7	Confident	58 Å²	58	103.7 Å²	103.7	41%	0.406	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.7	129.1	169.6	162.8	0	0	0	0	108.4	R667	S665-R667 PolarHBondContact O-N 3.29Å; S665-R667 PolarHBondContact OG-N 3.31Å
666	E	71.1	Confident	68.8	Low	118 Å²	118	106 Å²	106	55%	0.551	56%	0.563	S	S	*	*	S	Bend	trans	-79.1	7.7	179.9	-64	-175.9	160.9	0	0	113.2	G656 S658 G668	G656-E666 PolarHBondContact O-N 3.04Å; S658-E666 VanDerWaalsContact CB-OE1 3.24Å; S658-E666 WeakPolarHBondContact CB-OE1 3Å; S658-E666 WeakPolarHBondContact OG-CG 3.38Å; S658-E666 PolarHBondContact OG-OE1 3.19Å; E666-G668 PolarHBondContact O-N 3.21Å
667	R	62.5	Low	66.8	Low	217 Å²	217	106.8 Å²	106.8	82%	0.819	57%	0.571	S	S	*	*			trans	-71.6	62.2	168.7	-73.7	-169.2	-97.6	-170.7	-9.4	112.4	S665	S665-R667 PolarHBondContact O-N 3.29Å; S665-R667 PolarHBondContact OG-N 3.31Å
668	G	53	Low	64.9	Low	69 Å²	69	110.9 Å²	110.9	71%	0.711	60%	0.596	S	S	*	*			trans	-158.5	24.5	-177.9	0	0	0	0	0	115.2	E666	E666-G668 PolarHBondContact O-N 3.21Å
669	M	43.3	Very low	63	Low	174 Å²	174	115.6 Å²	115.6	86%	0.857	62%	0.618	S	S	*	*	S	Bend	trans	-92.4	135.4	155.2	-75.5	-166.4	-171.2	0	0	108.6	N671	M669-N671 PolarHBondContact O-N 3Å
670	P	41.6	Very low	61	Low	119 Å²	119	120 Å²	120	77%	0.773	63%	0.633	S	S	*	*			trans	-58.3	129.8	168.3	-10.9	24.5	0	0	0	108	D672	P670-D672 PolarHBondContact O-N 2.94Å
671	N	40.3	Very low	59.1	Low	144 Å²	144	124.1 Å²	124.1	77%	0.77	64%	0.641	S	S	*	*			trans	-61.8	90.6	161.7	-122.1	14.3	0	0	0	106.9	M669	M669-N671 PolarHBondContact O-N 3Å
672	D	44.3	Very low	57.2	Low	148 Å²	148	126.7 Å²	126.7	79%	0.791	66%	0.656	S	S	*	*			trans	-115.7	125.5	149.7	-103.1	-25.4	0	0	0	106.7	P670	P670-D672 PolarHBondContact O-N 2.94Å
673	Q	40.9	Very low	55.3	Low	178 Å²	178	131.7 Å²	131.7	83%	0.832	68%	0.681	S	S	*	*			trans	88.7	61.2	179.3	-53.9	178.1	-13.6	0	0	116	K675	Q673-K675 PolarHBondContact O-N 2.83Å
674	E	49.5	Very low	53.3	Low	172 Å²	172	133 Å²	133	80%	0.804	69%	0.691	S	S	*	*				-54.6	94.7	129.6	-103.2	-176.8	167.4	0	0	108.6
675	K	50.3	Low	51.2	Low	180 Å²	180	132.8 Å²	132.8	78%	0.783	69%	0.693	S	S	*	*			trans	162.7	109.8	148	-91.2	163.2	-173.8	-176.6	0	108.6	Q673	Q673-K675 PolarHBondContact O-N 2.83Å
676	D	49.6	Very low	49.7	Very low	170 Å²	170	133.8 Å²	133.8	91%	0.909	70%	0.697	S	S	*	*			trans	134	77	151.5	-66.3	-14.2	0	0	0	111.1
677	G	46.3	Very low	48.8	Very low	47 Å²	47	131.1 Å²	131.1	49%	0.485	69%	0.691	S	S	.	*			trans	-152.9	11.8	173	0	0	0	0	0	114.3	L679	G677-L679 VanDerWaalsContact C-N 3.26Å
678	I	50.9	Low	48.3	Very low	152 Å²	152	128.7 Å²	128.7	78%	0.779	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-11.7	174.8	-66	174	0	0	0	111
679	L	49.7	Very low	48.2	Very low	137 Å²	137	130.9 Å²	130.9	72%	0.717	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-29.8	-179.4	-145.8	73	0	0	0	113.8	G677 I682	G677-L679 VanDerWaalsContact C-N 3.26Å; L679-I682 PolarHBondContact O-N 2.94Å
680	D	47.5	Very low	48.7	Very low	124 Å²	124	128.4 Å²	128.4	66%	0.663	67%	0.668	S	S	*	*	H	α-helix	trans	-77.4	-23.8	-179.7	-83.4	-12.5	0	0	0	113.2	I682 I683	D680-I682 VanDerWaalsContact C-N 3.26Å; D680-I682 PolarHBondContact O-N 3.14Å; D680-I683 PolarHBondContact O-N 3.01Å
681	H	48.7	Very low	49.1	Very low	150 Å²	150	128.3 Å²	128.3	69%	0.694	66%	0.661	S	S	*	*	H	α-helix	trans	-73.7	-14.7	175	-109	-42.5	0	0	0	114.1
682	I	52.6	Low	49.5	Very low	106 Å²	106	127 Å²	127	54%	0.544	65%	0.653	S	S	.	*	H	α-helix	trans	-86.6	-30.2	176.7	-63.8	176.2	0	0	0	110.9	L679 D680	L679-I682 PolarHBondContact O-N 2.94Å; D680-I682 VanDerWaalsContact C-N 3.26Å; D680-I682 PolarHBondContact O-N 3.14Å
683	I	51.9	Low	49.9	Very low	106 Å²	106	124.6 Å²	124.6	54%	0.544	64%	0.644	S	S	.	*	H	α-helix	trans	-74.5	-36.4	-177.9	-60.4	176.1	0	0	0	111	D680 T686 S687	D680-I683 PolarHBondContact O-N 3.01Å; I683-T686 PolarHBondContact O-N 2.88Å; I683-T686 PolarHBondContact O-OG1 2.66Å; I683-S687 PolarHBondContact O-N 2.84Å
684	D	49	Very low	50.4	Low	99 Å²	99	120.7 Å²	120.7	53%	0.529	63%	0.632	S	S	.	*	H	α-helix	trans	-76.2	-27.8	-177.5	-143.5	13.1	0	0	0	113.4	S687 Y688	D684-S687 PolarHBondContact O-N 3.21Å; D684-Y688 PolarHBondContact O-N 3.29Å
685	M	47.4	Very low	50.3	Low	120 Å²	120	122.4 Å²	122.4	59%	0.591	63%	0.633	S	S	*	*	H	α-helix	trans	-72.9	-26.7	173.6	-78.5	-66.3	-64.6	0	0	113	L689	M685-L689 PolarHBondContact O-N 2.81Å
686	T	54.1	Low	50.2	Low	80 Å²	80	121 Å²	121	49%	0.491	63%	0.633	S	S	.	*	H	α-helix	trans	-79.1	-26	174.6	54.1	0	0	0	0	113.3	I683 L690	I683-T686 PolarHBondContact O-N 2.88Å; I683-T686 PolarHBondContact O-OG1 2.66Å; T686-L690 PolarHBondContact O-N 3Å
687	S	51.3	Low	49.8	Very low	62 Å²	62	122.1 Å²	122.1	43%	0.434	65%	0.645	S	S	.	*	H	α-helix	trans	-66.8	-46.1	172.2	174.4	0	0	0	0	111.4	I683 D684 L689 L690 D691	I683-S687 PolarHBondContact O-N 2.84Å; D684-S687 PolarHBondContact O-N 3.21Å; S687-L689 VanDerWaalsContact C-N 3.34Å; S687-L689 PolarHBondContact O-N 3.46Å; S687-L690 PolarHBondContact O-N 3.04Å; S687-D691 PolarHBondContact O-N 3.28Å
688	Y	52	Low	49.9	Very low	166 Å²	166	125.9 Å²	125.9	65%	0.651	65%	0.653	S	S	*	*	H	α-helix	trans	-67.3	-27.6	179.2	-100.5	-87.5	0	0	0	114.7	D684	D684-Y688 PolarHBondContact O-N 3.29Å
689	L	51.8	Low	49.9	Very low	114 Å²	114	124.5 Å²	124.5	60%	0.597	65%	0.646	S	S	*	*	H	α-helix	trans	-82.9	-22	179.3	-87	161.6	0	0	0	113.7	M685 S687	M685-L689 PolarHBondContact O-N 2.81Å; S687-L689 VanDerWaalsContact C-N 3.34Å; S687-L689 PolarHBondContact O-N 3.46Å
690	L	52.6	Low	49.9	Very low	123 Å²	123	123.8 Å²	123.8	64%	0.644	64%	0.642	S	S	*	*	H	α-helix	trans	-79.1	-35.1	175.2	-86.1	157.1	0	0	0	112.3	T686 S687 L692 T693	T686-L690 PolarHBondContact O-N 3Å; S687-L690 PolarHBondContact O-N 3.04Å; L690-L692 VanDerWaalsContact C-N 3.32Å; L690-L692 PolarHBondContact O-N 3.29Å; L690-T693 PolarHBondContact O-N 3.45Å; L690-T693 PolarHBondContact O-OG1 3.44Å
691	D	49.7	Very low	50	Low	117 Å²	117	123.8 Å²	123.8	63%	0.626	64%	0.641	S	S	*	*	H	α-helix	trans	-74	-17	178.2	-92.3	-9.6	0	0	0	114.5	S687 T694	S687-D691 PolarHBondContact O-N 3.28Å; D691-T694 PolarHBondContact O-OG1 3.11Å; D691-T694 VanDerWaalsContact O-OG1 3.11Å
692	L	50	Low	50.1	Low	117 Å²	117	122.1 Å²	122.1	61%	0.613	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-15.6	174.5	-96.1	153.5	0	0	0	113.4	L690	L690-L692 VanDerWaalsContact C-N 3.32Å; L690-L692 PolarHBondContact O-N 3.29Å
693	T	52	Low	49.9	Very low	96 Å²	96	123.2 Å²	123.2	59%	0.589	64%	0.644	S	S	*	*	S	Bend	trans	-90.3	-10.8	178.5	59.5	0	0	0	0	114.2	L690 Y695	L690-T693 PolarHBondContact O-N 3.45Å; L690-T693 PolarHBondContact O-OG1 3.44Å; T693-Y695 VanDerWaalsContact C-N 3.34Å
694	T	50.5	Low	49.8	Very low	97 Å²	97	124.4 Å²	124.4	60%	0.595	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	0	172.9	42.5	0	0	0	0	113.6	D691	D691-T694 PolarHBondContact O-OG1 3.11Å; D691-T694 VanDerWaalsContact O-OG1 3.11Å
695	Y	48.3	Very low	49.9	Very low	207 Å²	207	126.4 Å²	126.4	81%	0.812	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	3.6	178.5	-127.1	-90.2	0	0	0	114.6	T693	T693-Y695 VanDerWaalsContact C-N 3.34Å
696	I	48.3	Very low	50.1	Low	152 Å²	152	126.9 Å²	126.9	78%	0.779	67%	0.666	S	S	*	*			trans	-125.7	24.4	178	-58.5	-179.1	0	0	0	113.3
697	V	40.2	Very low	49.7	Very low	192 Å²	192	131.2 Å²	131.2	100%	1.164	68%	0.682	S	S	*	*			trans	-137.3	0	157	-177	0	0	0	0	107.5

Retrieved 697 of 697 residues in 422.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).