A0A087XJB1_POEFO Loading...

Transcription initiation factor TFIID subunit 5

AlphaFold DB , UniProt , Accession A0A087XJB1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 745 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.2	Very low	32	Very low	253 Å²	253	136.1 Å²	136.1	100%	1.246	85%	0.852	S	S	*	*				0	109.2	0	-93.8	-139.4	-113.7	0	0	109
2	A	33.1	Very low	31.8	Very low	109 Å²	109	140.8 Å²	140.8	90%	0.901	85%	0.851	S	S	*	*			trans	168.6	107.4	150	0	0	0	0	0	105.4
3	A	33.5	Very low	31.6	Very low	96 Å²	96	142.3 Å²	142.3	79%	0.793	85%	0.851	S	S	*	*			trans	-105.3	141.8	-176.8	0	0	0	0	0	109.6
4	V	33.5	Very low	31.5	Very low	133 Å²	133	145.9 Å²	145.9	81%	0.806	86%	0.855	S	S	*	*			trans	-150.2	93.1	154.2	-177.7	0	0	0	0	105.8
5	Q	31.1	Very low	31.5	Very low	185 Å²	185	142.5 Å²	142.5	86%	0.864	85%	0.85	S	S	*	*				71	109	104.4	-81	179.3	-22.5	0	0	114.5
6	G	28.5	Very low	31.3	Very low	81 Å²	81	143.3 Å²	143.3	84%	0.835	85%	0.849	S	S	*	*			trans	-83.4	162.2	166.4	0	0	0	0	0	112.5
7	S	26	Very low	31.4	Very low	117 Å²	117	145.4 Å²	145.4	82%	0.818	85%	0.853	S	S	*	*			trans	-132.1	117.8	165.7	55.2	0	0	0	0	108.8
8	I	30.8	Very low	31.2	Very low	153 Å²	153	148.3 Å²	148.3	79%	0.785	85%	0.853	S	S	*	*			trans	-83.3	134.2	164.1	-71.4	164	0	0	0	107.3
9	V	31.6	Very low	31.1	Very low	139 Å²	139	147.5 Å²	147.5	84%	0.842	85%	0.851	S	S	*	*			trans	-144.7	120.9	149.5	-163.2	0	0	0	0	108.6
10	D	28.5	Very low	31	Very low	147 Å²	147	149.9 Å²	149.9	79%	0.786	85%	0.854	S	S	*	*			trans	-89.1	142.9	173.5	-95.8	-41	0	0	0	112.2
11	A	31.9	Very low	31.2	Very low	84 Å²	84	148.1 Å²	148.1	69%	0.694	85%	0.849	S	S	*	*			trans	39.2	117.9	141.3	0	0	0	0	0	122.7
12	K	29.5	Very low	30.5	Very low	192 Å²	192	141.3 Å²	141.3	84%	0.835	83%	0.832	S	S	*	*				153.8	126.2	109.4	-87.9	-175.1	175.8	-179.1	0	111.2
13	D	29.5	Very low	30.3	Very low	161 Å²	161	142.3 Å²	142.3	86%	0.861	83%	0.828	S	S	*	*				-179.2	141.1	117	-89.7	-18.1	0	0	0	111.9
14	E	30.1	Very low	30.2	Very low	193 Å²	193	145.4 Å²	145.4	90%	0.902	83%	0.831	S	S	*	*			trans	-71.4	152.8	-175.8	-65.1	169.2	138.2	0	0	113.7
15	A	31.1	Very low	29.8	Very low	95 Å²	95	142.9 Å²	142.9	79%	0.785	83%	0.831	S	S	*	*				-176.7	122.1	124.5	0	0	0	0	0	112.3
16	D	29.7	Very low	29.8	Very low	155 Å²	155	144.3 Å²	144.3	83%	0.829	84%	0.835	S	S	*	*			trans	8.4	134.6	151.1	-67.1	-36.3	0	0	0	120.9
17	I	31.5	Very low	29.7	Very low	179 Å²	179	144.2 Å²	144.2	92%	0.918	83%	0.834	S	S	*	*				-153.3	140.2	128	-91	140.1	0	0	0	110.3
18	K	28.3	Very low	29.8	Very low	198 Å²	198	145.1 Å²	145.1	86%	0.861	83%	0.83	S	S	*	*			trans	-69	152.7	-164.6	-72.2	165.2	170.3	172.9	0	116.9
19	T	29.2	Very low	29.6	Very low	132 Å²	132	145.6 Å²	145.6	81%	0.81	83%	0.834	S	S	*	*			trans	-66	145.4	160.2	45	0	0	0	0	114.4
20	E	28.8	Very low	29.4	Very low	195 Å²	195	147.2 Å²	147.2	91%	0.911	83%	0.832	S	S	*	*			trans	-136.7	141.8	144.5	-78.8	-157.8	163.1	0	0	111.1
21	P	35.8	Very low	29.4	Very low	114 Å²	114	144.2 Å²	144.2	74%	0.74	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-102	153.1	-175.1	38.3	-31	0	0	0	113.2
22	A	28.9	Very low	29.2	Very low	109 Å²	109	147.8 Å²	147.8	90%	0.901	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-95.5	124.9	168.2	0	0	0	0	0	110.4
23	T	29.7	Very low	29	Very low	131 Å²	131	146.4 Å²	146.4	80%	0.804	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-100	157.4	177.8	46	0	0	0	0	112.9
24	D	29.9	Very low	29	Very low	161 Å²	161	143.1 Å²	143.1	86%	0.861	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-49.2	162.8	-178.8	-64.9	-56.2	0	0	0	118.5
25	G	26.6	Very low	28.8	Very low	79 Å²	79	137.3 Å²	137.3	81%	0.814	82%	0.824	S	S	*	*			trans	-168.2	79.2	159.3	0	0	0	0	0	113.9
26	F	29.4	Very low	28.6	Very low	216 Å²	216	139.2 Å²	139.2	95%	0.947	83%	0.825	S	S	*	*			trans	-76.7	143.2	159.4	-93.7	-88.9	0	0	0	110.5
27	G	26.6	Very low	28.5	Very low	78 Å²	78	139.3 Å²	139.3	80%	0.804	83%	0.825	S	S	*	*			trans	-166.9	106.7	172.7	0	0	0	0	0	113.3
28	N	28.8	Very low	28.3	Very low	137 Å²	137	136.3 Å²	136.3	73%	0.733	82%	0.82	S	S	*	*			trans	-76.5	155.8	-175.8	-144.2	5.2	0	0	0	112.9
29	N	25.4	Very low	28.2	Very low	162 Å²	162	131.6 Å²	131.6	87%	0.866	82%	0.818	S	S	*	*				-177.8	140	127.8	-94	-15.8	0	0	0	115.4
30	H	28	Very low	28.5	Very low	174 Å²	174	131 Å²	131	81%	0.806	82%	0.819	S	S	*	*			trans	-79.4	152.3	176.2	-88.5	-83.6	0	0	0	114.3
31	A	29	Very low	28.7	Very low	83 Å²	83	127.9 Å²	127.9	69%	0.686	82%	0.816	S	S	*	*				146.1	129.2	109.5	0	0	0	0	0	115.1
32	N	27.9	Very low	28.2	Very low	159 Å²	159	125.8 Å²	125.8	85%	0.85	82%	0.815	S	S	*	*			trans	49.2	135.1	148.6	-60.1	-8.4	0	0	0	120.3
33	D	25.8	Very low	28.4	Very low	163 Å²	163	126.6 Å²	126.6	87%	0.872	81%	0.814	S	S	*	*				-165.4	171.1	61.3	-155.7	1.6	0	0	0	113
34	A	28.3	Very low	28.2	Very low	93 Å²	93	126.2 Å²	126.2	77%	0.769	82%	0.816	S	S	*	*			trans	-56.3	155	-160	0	0	0	0	0	122.8
35	G	26.1	Very low	28.2	Very low	71 Å²	71	123.6 Å²	123.6	73%	0.732	82%	0.818	S	S	*	*				129.6	118	119.3	0	0	0	0	0	120
36	V	27.5	Very low	28.1	Very low	134 Å²	134	124.7 Å²	124.7	81%	0.812	82%	0.819	S	S	*	*			trans	107.6	95.9	142.8	-168	0	0	0	0	119.7
37	L	26.7	Very low	28.2	Very low	157 Å²	157	119.7 Å²	119.7	82%	0.822	82%	0.817	S	S	*	*				57.4	123.8	129.1	-56.9	174.1	0	0	0	123.9
38	S	26.7	Very low	28.2	Very low	116 Å²	116	119.2 Å²	119.2	81%	0.811	81%	0.812	S	S	*	*				140.7	95.1	121.7	61.2	0	0	0	0	111.1
39	A	27.4	Very low	28.4	Very low	100 Å²	100	120.7 Å²	120.7	83%	0.826	82%	0.82	S	S	*	*				73.5	102.2	78.5	0	0	0	0	0	113.9
40	S	35.2	Very low	28.5	Very low	120 Å²	120	120.6 Å²	120.6	84%	0.839	82%	0.82	S	S	*	*			trans	-57.9	160.5	162.4	-30.8	0	0	0	0	112.1
41	P	32.4	Very low	28.5	Very low	129 Å²	129	121.7 Å²	121.7	84%	0.838	82%	0.822	S	S	*	*			trans	-121.9	126.8	153.3	31.9	-17.9	0	0	0	112.3
42	G	26.7	Very low	28.6	Very low	70 Å²	70	124.1 Å²	124.1	72%	0.722	83%	0.831	S	S	*	*			trans	-92.4	154.5	152.1	0	0	0	0	0	110.7
43	S	32	Very low	28.8	Very low	125 Å²	125	121.1 Å²	121.1	87%	0.874	83%	0.828	S	S	*	*			trans	-2.9	132.4	167.1	53.2	0	0	0	0	120.8
44	S	25.7	Very low	29.3	Very low	123 Å²	123	118.3 Å²	118.3	86%	0.86	83%	0.828	S	S	*	*			trans	-152.8	136.6	134.7	56.5	0	0	0	0	111.1
45	A	29.5	Very low	29.9	Very low	107 Å²	107	116.8 Å²	116.8	88%	0.884	82%	0.821	S	S	*	*			trans	-81.3	138.8	169.9	0	0	0	0	0	109.9
46	A	25.5	Very low	31	Very low	102 Å²	102	115.9 Å²	115.9	84%	0.843	81%	0.806	S	S	*	*			trans	-151.7	134.7	155.4	0	0	0	0	0	109.6
47	A	31.8	Very low	32.2	Very low	111 Å²	111	114.3 Å²	114.3	92%	0.917	80%	0.799	S	S	*	*			trans	-60.4	135.8	-175.1	0	0	0	0	0	113.4
48	G	25.2	Very low	33.6	Very low	67 Å²	67	114 Å²	114	69%	0.691	79%	0.793	S	S	*	*			trans	-136.2	106	166.8	0	0	0	0	0	109.5	N50	G48-N50 PolarHBondContact O-N 3.19Å
49	N	33.7	Very low	35.4	Very low	169 Å²	169	113.3 Å²	113.3	90%	0.904	78%	0.781	S	S	*	*			trans	-47.3	116.5	167.8	-113.6	-7.6	0	0	0	110.4
50	N	26.8	Very low	37.4	Very low	160 Å²	160	113.3 Å²	113.3	86%	0.856	76%	0.764	S	S	*	*			trans	-138.6	115.8	163.9	-96.7	-16.7	0	0	0	110.6	G48	G48-N50 PolarHBondContact O-N 3.19Å
51	K	28.3	Very low	39.1	Very low	196 Å²	196	114.3 Å²	114.3	85%	0.852	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-51.4	146.6	165.8	-76.4	173.4	169.2	178.9	0	110.3	A53	K51-A53 PolarHBondContact O-N 2.92Å
52	P	31.8	Very low	41.1	Very low	134 Å²	134	112.2 Å²	112.2	87%	0.87	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-69.3	119.8	170.7	28.6	-29.7	0	0	0	109.1
53	A	31.3	Very low	43.5	Very low	97 Å²	97	110.8 Å²	110.8	80%	0.802	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-80.2	144.2	169.7	0	0	0	0	0	109.7	K51	K51-A53 PolarHBondContact O-N 2.92Å
54	A	36.8	Very low	45.7	Very low	104 Å²	104	107.1 Å²	107.1	86%	0.86	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-51.9	132.6	-175.4	0	0	0	0	0	113.6
55	G	41.6	Very low	48.2	Very low	61 Å²	61	104 Å²	104	63%	0.629	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-66.5	160.3	174.6	0	0	0	0	0	113.2
56	A	47.6	Very low	50.5	Low	51 Å²	51	102.2 Å²	102.2	42%	0.421	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-60	148.7	-177	0	0	0	0	0	112	E58 D59 Q60	A56-E58 PolarHBondContact O-N 2.89Å; A56-E58 VanDerWaalsContact O-N 3.13Å; A56-D59 PolarHBondContact O-N 3.37Å; A56-D59 VanDerWaalsContact O-N 3.09Å; A56-Q60 PolarHBondContact O-N 3.47Å
57	P	54.3	Low	53	Low	102 Å²	102	97.9 Å²	97.9	66%	0.662	61%	0.608	S	S	*	*	H	α-helix	trans	-62.3	-22	-177.2	22.5	-32.2	0	0	0	114.3	Q61	P57-Q61 PolarHBondContact O-N 3.37Å
58	E	56.2	Low	55	Low	150 Å²	150	98.3 Å²	98.3	70%	0.701	59%	0.591	S	S	*	*	H	α-helix	trans	-72.9	-35	175.1	-69.5	-173.5	158.8	0	0	112.7	A56 Q60 Q61 T62	A56-E58 PolarHBondContact O-N 2.89Å; A56-E58 VanDerWaalsContact O-N 3.13Å; E58-Q60 VanDerWaalsContact C-N 3.32Å; E58-Q60 PolarHBondContact O-N 3.24Å; E58-Q61 PolarHBondContact O-N 3.01Å; E58-T62 PolarHBondContact O-N 3.29Å; E58-T62 VanDerWaalsContact O-N 3.07Å; E58-T62 PolarHBondContact O-OG1 3.28Å
59	D	64.6	Low	57.6	Low	102 Å²	102	101.1 Å²	101.1	55%	0.545	59%	0.585	S	S	.	*	H	α-helix	trans	-69.6	-33.9	178.4	-64	-28.5	0	0	0	110.8	A56 T62 L63	A56-D59 PolarHBondContact O-N 3.37Å; A56-D59 VanDerWaalsContact O-N 3.09Å; D59-T62 VanDerWaalsContact CA-OG1 3.3Å; D59-T62 WeakPolarHBondContact CA-OG1 3.24Å; D59-T62 PolarHBondContact O-OG1 3.16Å; D59-T62 VanDerWaalsContact O-OG1 3.08Å; D59-L63 VanDerWaalsContact O-CB 3.26Å; D59-L63 WeakPolarHBondContact O-CB 3.32Å; D59-L63 PolarHBondContact O-N 3.46Å
60	Q	68.1	Low	59.8	Low	100 Å²	100	94.3 Å²	94.3	47%	0.467	55%	0.548	S	S	.	.	H	α-helix	trans	-70.9	-35.4	176.7	-162.9	172.8	6.7	0	0	112.1	A56 E58 L64	A56-Q60 PolarHBondContact O-N 3.47Å; E58-Q60 VanDerWaalsContact C-N 3.32Å; E58-Q60 PolarHBondContact O-N 3.24Å; Q60-L64 VanDerWaalsContact O-CG 3.3Å; Q60-L64 WeakPolarHBondContact O-CG 3.43Å; Q60-L64 PolarHBondContact O-N 3.43Å
61	Q	70.7	Confident	61.9	Low	140 Å²	140	95.5 Å²	95.5	65%	0.654	54%	0.54	S	S	*	.	H	α-helix	trans	-71.4	-41.4	176.5	-76.9	-177.8	-8.4	0	0	112.6	P57 E58 L64 A65	P57-Q61 PolarHBondContact O-N 3.37Å; E58-Q61 PolarHBondContact O-N 3.01Å; Q61-L64 PolarHBondContact O-N 3.36Å; Q61-A65 PolarHBondContact O-N 3.04Å
62	T	75.4	Confident	64.2	Low	85 Å²	85	94.7 Å²	94.7	52%	0.521	54%	0.537	S	S	.	.	H	α-helix	trans	-64.4	-41.6	174.7	31.5	0	0	0	0	111.3	E58 D59 L64 A65 V66	E58-T62 PolarHBondContact O-N 3.29Å; E58-T62 VanDerWaalsContact O-N 3.07Å; E58-T62 PolarHBondContact O-OG1 3.28Å; D59-T62 VanDerWaalsContact CA-OG1 3.3Å; D59-T62 WeakPolarHBondContact CA-OG1 3.24Å; D59-T62 PolarHBondContact O-OG1 3.16Å; D59-T62 VanDerWaalsContact O-OG1 3.08Å; T62-L64 PolarHBondContact O-N 3.46Å; T62-A65 PolarHBondContact O-N 2.93Å; T62-V66 WeakPolarHBondContact O-CG2 3.34Å; T62-V66 PolarHBondContact O-N 2.92Å
63	L	77.6	Confident	66.4	Low	41 Å²	41	92 Å²	92	22%	0.215	52%	0.515	C	S	.	.	H	α-helix	trans	-61.4	-42	174.6	-177.5	66.7	0	0	0	112.7	D59 V66 L67 L82 A86 L88	D59-L63 VanDerWaalsContact O-CB 3.26Å; D59-L63 WeakPolarHBondContact O-CB 3.32Å; D59-L63 PolarHBondContact O-N 3.46Å; L63-V66 PolarHBondContact O-N 3.38Å; L63-L67 HydrophobicContact CG-CD1 4.36Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.14Å; L63-L82 HydrophobicContact CD1-CD2 4.05Å; L63-A86 HydrophobicContact CD2-CB 3.37Å; L63-L88 HydrophobicContact CD2-CD1 3.78Å
64	L	76.5	Confident	68.7	Low	48 Å²	48	96.6 Å²	96.6	25%	0.251	52%	0.517	S	S	.	.	H	α-helix	trans	-64.1	-39.5	175.7	-75.5	167.7	0	0	0	112.2	Q60 Q61 T62 L67 Q68 L93	Q60-L64 VanDerWaalsContact O-CG 3.3Å; Q60-L64 WeakPolarHBondContact O-CG 3.43Å; Q60-L64 PolarHBondContact O-N 3.43Å; Q61-L64 PolarHBondContact O-N 3.36Å; T62-L64 PolarHBondContact O-N 3.46Å; L64-L67 PolarHBondContact O-N 3.13Å; L64-Q68 WeakPolarHBondContact O-CG 3.45Å; L64-Q68 PolarHBondContact O-N 3.09Å; L64-L93 HydrophobicContact CD2-CD2 3.64Å; L64-L93 HydrophobicContact CD2-CG 4.19Å
65	A	78.2	Confident	70.6	Confident	57 Å²	57	95.6 Å²	95.6	47%	0.471	50%	0.497	S	S	.	.	H	α-helix	trans	-64.6	-39.9	175.7	0	0	0	0	0	112.1	Q61 T62 Q68 F69	Q61-A65 PolarHBondContact O-N 3.04Å; T62-A65 PolarHBondContact O-N 2.93Å; A65-Q68 PolarHBondContact O-N 2.82Å; A65-F69 WeakPolarHBondContact O-CB 3.3Å; A65-F69 PolarHBondContact O-N 3.37Å
66	V	77.7	Confident	72.2	Confident	69 Å²	69	96.5 Å²	96.5	42%	0.418	49%	0.493	S	S	.	.	H	α-helix	trans	-66	-43.4	176	171.9	0	0	0	0	111.1	T62 L63 Q68 F69 L70	T62-V66 WeakPolarHBondContact O-CG2 3.34Å; T62-V66 PolarHBondContact O-N 2.92Å; L63-V66 PolarHBondContact O-N 3.38Å; V66-Q68 VanDerWaalsContact C-N 3.34Å; V66-Q68 PolarHBondContact O-N 3.32Å; V66-F69 PolarHBondContact O-N 3.49Å; V66-L70 HydrophobicContact CG1-CD1 3.92Å; V66-L70 HydrophobicContact CG1-CG 4.37Å; V66-L70 VanDerWaalsContact O-CG 3.3Å; V66-L70 WeakPolarHBondContact O-CG 3.37Å; V66-L70 PolarHBondContact O-N 2.85Å
67	L	78.1	Confident	73.3	Confident	11 Å²	11	101.2 Å²	101.2	6%	0.058	51%	0.507	C	S	.	.	H	α-helix	trans	-62.4	-40.1	175.7	-74.1	171.8	0	0	0	112.2	L63 L64 L70 R71 A79 L82 R83 L88	L63-L67 HydrophobicContact CG-CD1 4.36Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.14Å; L64-L67 PolarHBondContact O-N 3.13Å; L67-L70 PolarHBondContact O-N 3.01Å; L67-R71 WeakPolarHBondContact O-CB 3.47Å; L67-R71 PolarHBondContact O-N 3.46Å; L67-A79 HydrophobicContact CD2-CB 4.1Å; L67-A79 VanDerWaalsContact CD2-O 3.27Å; L67-A79 WeakPolarHBondContact CD2-O 3.38Å; L67-L82 HydrophobicContact CD2-CB 4.14Å; L67-R83 HydrophobicContact CD1-CB 4.5Å; L67-R83 HydrophobicContact CD2-CB 4.39Å; L67-L88 HydrophobicContact CD1-CD1 4.38Å
68	Q	73.8	Confident	74.3	Confident	120 Å²	120	98.8 Å²	98.8	56%	0.561	49%	0.493	S	S	*	.	H	α-helix	trans	-64.9	-40.2	174.6	-75.2	179.7	-7.4	0	0	112.4	L64 A65 V66 R71 K72 L93	L64-Q68 WeakPolarHBondContact O-CG 3.45Å; L64-Q68 PolarHBondContact O-N 3.09Å; A65-Q68 PolarHBondContact O-N 2.82Å; V66-Q68 VanDerWaalsContact C-N 3.34Å; V66-Q68 PolarHBondContact O-N 3.32Å; Q68-R71 PolarHBondContact O-N 3.24Å; Q68-K72 WeakPolarHBondContact O-CB 3.28Å; Q68-K72 PolarHBondContact O-N 3.41Å; Q68-L93 HydrophobicContact CG-CD2 4.48Å
69	F	80	Confident	75.3	Confident	127 Å²	127	92.4 Å²	92.4	56%	0.557	47%	0.465	S	S	*	.	H	α-helix	trans	-63.8	-46.1	175.8	177.2	-97.7	0	0	0	112.2	A65 V66 R71 K72 N73	A65-F69 WeakPolarHBondContact O-CB 3.3Å; A65-F69 PolarHBondContact O-N 3.37Å; V66-F69 PolarHBondContact O-N 3.49Å; F69-R71 VanDerWaalsContact C-N 3.31Å; F69-R71 PolarHBondContact O-N 3.15Å; F69-K72 PolarHBondContact O-N 2.99Å; F69-N73 VanDerWaalsContact CE1-ND2 3.32Å; F69-N73 WeakPolarHBondContact CE1-ND2 3.4Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.27Å; F69-N73 PolarHBondContact O-N 3.45Å; F69-N73 VanDerWaalsContact O-N 3.14Å
70	L	81.2	Confident	75.7	Confident	26 Å²	26	93.1 Å²	93.1	14%	0.136	47%	0.465	C	S	.	.	H	α-helix	trans	-62.7	-38.8	178.3	-70.1	170.8	0	0	0	111.8	V66 L67 N73 K74 L75 A79 L82	V66-L70 HydrophobicContact CG1-CD1 3.92Å; V66-L70 HydrophobicContact CG1-CG 4.37Å; V66-L70 VanDerWaalsContact O-CG 3.3Å; V66-L70 WeakPolarHBondContact O-CG 3.37Å; V66-L70 PolarHBondContact O-N 2.85Å; L67-L70 PolarHBondContact O-N 3.01Å; L70-N73 PolarHBondContact O-N 3.05Å; L70-K74 PolarHBondContact O-N 3.47Å; L70-L75 HydrophobicContact CD2-CB 4.48Å; L70-L75 HydrophobicContact CD2-CD1 4.45Å; L70-L75 PolarHBondContact O-N 3.3Å; L70-L75 VanDerWaalsContact O-N 3.08Å; L70-A79 HydrophobicContact CB-CB 4.17Å; L70-L82 HydrophobicContact CD1-CD1 3.79Å
71	R	70.8	Confident	76.2	Confident	184 Å²	184	92.5 Å²	92.5	69%	0.694	46%	0.464	S	S	*	.	H	α-helix	trans	-67.5	-39.8	175.9	-154.8	178.1	-167.7	177.3	4	112.2	L67 Q68 F69 N73 K74	L67-R71 WeakPolarHBondContact O-CB 3.47Å; L67-R71 PolarHBondContact O-N 3.46Å; Q68-R71 PolarHBondContact O-N 3.24Å; F69-R71 VanDerWaalsContact C-N 3.31Å; F69-R71 PolarHBondContact O-N 3.15Å; R71-N73 PolarHBondContact O-N 3.32Å; R71-K74 PolarHBondContact O-N 3.4Å; R71-K74 VanDerWaalsContact O-N 3.15Å
72	K	75.6	Confident	76.4	Confident	179 Å²	179	88.8 Å²	88.8	78%	0.778	45%	0.449	S	S	*	.	H	α-helix	trans	-61.9	-31.4	175.7	-168.7	175.9	-179.4	179.2	0	112.4	Q68 F69	Q68-K72 WeakPolarHBondContact O-CB 3.28Å; Q68-K72 PolarHBondContact O-N 3.41Å; F69-K72 PolarHBondContact O-N 2.99Å
73	N	79.3	Confident	76.3	Confident	79 Å²	79	88.1 Å²	88.1	42%	0.422	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	12.5	178.8	-67.5	-15.4	0	0	0	114.1	F69 L70 R71 L75	F69-N73 VanDerWaalsContact CE1-ND2 3.32Å; F69-N73 WeakPolarHBondContact CE1-ND2 3.4Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.27Å; F69-N73 PolarHBondContact O-N 3.45Å; F69-N73 VanDerWaalsContact O-N 3.14Å; L70-N73 PolarHBondContact O-N 3.05Å; R71-N73 PolarHBondContact O-N 3.32Å; N73-L75 VanDerWaalsContact C-N 3.28Å; N73-L75 HydrophobicContact CB-CD1 3.94Å; N73-L75 PolarHBondContact O-N 3.42Å
74	K	78.9	Confident	76.2	Confident	192 Å²	192	95.3 Å²	95.3	84%	0.835	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	27.7	177.4	-56.2	-177.3	178.7	-179.3	0	115.2	L70 R71 S76	L70-K74 PolarHBondContact O-N 3.47Å; R71-K74 PolarHBondContact O-N 3.4Å; R71-K74 VanDerWaalsContact O-N 3.15Å; K74-S76 PolarHBondContact O-N 3.49Å
75	L	76.4	Confident	75.9	Confident	84 Å²	84	100.4 Å²	100.4	44%	0.44	48%	0.484	S	S	.	.			trans	-96.8	70.8	175.2	-72.2	138.3	0	0	0	110	L70 N73 A79	L70-L75 HydrophobicContact CD2-CB 4.48Å; L70-L75 HydrophobicContact CD2-CD1 4.45Å; L70-L75 PolarHBondContact O-N 3.3Å; L70-L75 VanDerWaalsContact O-N 3.08Å; N73-L75 VanDerWaalsContact C-N 3.28Å; N73-L75 HydrophobicContact CB-CD1 3.94Å; N73-L75 PolarHBondContact O-N 3.42Å; L75-A79 PolarHBondContact O-N 3.08Å
76	S	74.8	Confident	75.5	Confident	79 Å²	79	99.9 Å²	99.9	55%	0.552	48%	0.479	S	S	*	.	H	α-helix	trans	-68.8	-37.7	-173	47.7	0	0	0	0	113.7	K74 A79 E80	K74-S76 PolarHBondContact O-N 3.49Å; S76-A79 PolarHBondContact O-N 3.41Å; S76-E80 PolarHBondContact O-N 3.47Å
77	E	71.8	Confident	75	Confident	150 Å²	150	99.7 Å²	99.7	70%	0.701	49%	0.491	S	S	*	.	H	α-helix	trans	-65	-45.1	179.7	-71	-176.9	161.3	0	0	111.9	A79 E80 I81	E77-A79 VanDerWaalsContact C-N 3.3Å; E77-A79 PolarHBondContact O-N 3.07Å; E77-E80 PolarHBondContact O-N 2.95Å; E77-I81 VanDerWaalsContact O-CG1 3.28Å; E77-I81 WeakPolarHBondContact O-CG1 3.26Å; E77-I81 PolarHBondContact O-N 3Å
78	S	75.8	Confident	74.7	Confident	52 Å²	52	100.8 Å²	100.8	36%	0.364	50%	0.497	S	S	.	.	H	α-helix	trans	-65.2	-35.7	178.4	-48.6	0	0	0	0	112	L82	S78-L82 WeakPolarHBondContact O-CB 3.27Å; S78-L82 PolarHBondContact O-N 3.37Å; S78-L82 VanDerWaalsContact O-N 3.15Å
79	A	77.1	Confident	74	Confident	16 Å²	16	99.7 Å²	99.7	13%	0.132	50%	0.5	C	S	.	.	H	α-helix	trans	-68.7	-39	176	0	0	0	0	0	112.3	L67 L70 L75 S76 E77 R83	L67-A79 HydrophobicContact CD2-CB 4.1Å; L67-A79 VanDerWaalsContact CD2-O 3.27Å; L67-A79 WeakPolarHBondContact CD2-O 3.38Å; L70-A79 HydrophobicContact CB-CB 4.17Å; L75-A79 PolarHBondContact O-N 3.08Å; S76-A79 PolarHBondContact O-N 3.41Å; E77-A79 VanDerWaalsContact C-N 3.3Å; E77-A79 PolarHBondContact O-N 3.07Å; A79-R83 VanDerWaalsContact O-CB 3.24Å; A79-R83 WeakPolarHBondContact O-CB 3.21Å; A79-R83 PolarHBondContact O-N 3.34Å
80	E	72.6	Confident	72.7	Confident	117 Å²	117	100.6 Å²	100.6	55%	0.547	51%	0.506	S	S	.	.	H	α-helix	trans	-68.4	-38.8	176.8	-81.3	-176.2	-176	0	0	112.9	S76 E77 R83 R84	S76-E80 PolarHBondContact O-N 3.47Å; E77-E80 PolarHBondContact O-N 2.95Å; E80-R83 PolarHBondContact O-N 3.04Å; E80-R84 VanDerWaalsContact O-CB 3.32Å; E80-R84 WeakPolarHBondContact O-CB 3.44Å; E80-R84 PolarHBondContact O-N 3.13Å
81	I	78.4	Confident	71	Confident	86 Å²	86	108.4 Å²	108.4	44%	0.441	54%	0.542	S	S	.	.	H	α-helix	trans	-64	-50.9	176.9	-66.9	164.6	0	0	0	110.2	E77 R83 R84 E85	E77-I81 VanDerWaalsContact O-CG1 3.28Å; E77-I81 WeakPolarHBondContact O-CG1 3.26Å; E77-I81 PolarHBondContact O-N 3Å; I81-R83 VanDerWaalsContact C-N 3.3Å; I81-R83 PolarHBondContact O-N 3.37Å; I81-R84 PolarHBondContact O-N 3.36Å; I81-R84 VanDerWaalsContact O-N 3.13Å; I81-E85 WeakPolarHBondContact O-CG 3.35Å; I81-E85 PolarHBondContact O-N 3.41Å
82	L	74.3	Confident	69.8	Low	63 Å²	63	103 Å²	103	33%	0.33	54%	0.537	S	S	.	.	H	α-helix	trans	-60.5	-38.4	177.4	-99.7	149.6	0	0	0	112.6	L63 L67 L70 S78 A86	L63-L82 HydrophobicContact CD1-CD2 4.05Å; L67-L82 HydrophobicContact CD2-CB 4.14Å; L70-L82 HydrophobicContact CD1-CD1 3.79Å; S78-L82 WeakPolarHBondContact O-CB 3.27Å; S78-L82 PolarHBondContact O-N 3.37Å; S78-L82 VanDerWaalsContact O-N 3.15Å; L82-A86 VanDerWaalsContact O-CB 3.27Å; L82-A86 WeakPolarHBondContact O-CB 3.35Å; L82-A86 PolarHBondContact O-N 3.15Å
83	R	73.1	Confident	68.5	Low	71 Å²	71	97.1 Å²	97.1	27%	0.268	51%	0.513	S	S	.	.	H	α-helix	trans	-66.1	-40.5	175.4	178.9	-179.3	155.5	-160.2	-21	111.9	L67 A79 E80 I81 A86 G87 L88 E90	L67-R83 HydrophobicContact CD1-CB 4.5Å; L67-R83 HydrophobicContact CD2-CB 4.39Å; A79-R83 VanDerWaalsContact O-CB 3.24Å; A79-R83 WeakPolarHBondContact O-CB 3.21Å; A79-R83 PolarHBondContact O-N 3.34Å; E80-R83 PolarHBondContact O-N 3.04Å; I81-R83 VanDerWaalsContact C-N 3.3Å; I81-R83 PolarHBondContact O-N 3.37Å; R83-A86 PolarHBondContact O-N 2.79Å; R83-G87 PolarHBondContact O-N 3.47Å; R83-G87 VanDerWaalsContact O-N 3.14Å; R83-L88 HydrophobicContact CG-CB 4.36Å; R83-L88 PolarHBondContact NE-O 3.09Å; R83-L88 PolarHBondContact O-N 2.7Å; R83-E90 IonicContact CZ-OE1 3.77Å; R83-E90 IonicContact NH1-OE1 3.18Å; R83-E90 PolarHBondContact NH1-OE1 2.72Å; R83-E90 IonicContact NH2-OE1 3.85Å; R83-E90 PolarHBondContact NH2-OE1 2.98Å
84	R	74.9	Confident	66.4	Low	191 Å²	191	100.6 Å²	100.6	72%	0.721	53%	0.532	S	S	*	.	H	α-helix	trans	-67.5	-42	178.7	-171.2	-176.5	-61.9	155.7	3.9	111.4	E80 I81 A86 G87	E80-R84 VanDerWaalsContact O-CB 3.32Å; E80-R84 WeakPolarHBondContact O-CB 3.44Å; E80-R84 PolarHBondContact O-N 3.13Å; I81-R84 PolarHBondContact O-N 3.36Å; I81-R84 VanDerWaalsContact O-N 3.13Å; R84-A86 VanDerWaalsContact C-N 3.31Å; R84-A86 PolarHBondContact O-N 2.98Å; R84-G87 PolarHBondContact O-N 3.23Å
85	E	71.7	Confident	64.4	Low	156 Å²	156	97.3 Å²	97.3	73%	0.729	53%	0.53	S	S	*	.	H	α-helix	trans	-66.1	-33.6	176.1	-73.3	-179	169.1	0	0	112.3	I81	I81-E85 WeakPolarHBondContact O-CG 3.35Å; I81-E85 PolarHBondContact O-N 3.41Å
86	A	70.3	Confident	62.3	Low	46 Å²	46	103.3 Å²	103.3	38%	0.38	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	-6.2	177.9	0	0	0	0	0	115.2	L63 L82 R83 R84 L88	L63-A86 HydrophobicContact CD2-CB 3.37Å; L82-A86 VanDerWaalsContact O-CB 3.27Å; L82-A86 WeakPolarHBondContact O-CB 3.35Å; L82-A86 PolarHBondContact O-N 3.15Å; R83-A86 PolarHBondContact O-N 2.79Å; R84-A86 VanDerWaalsContact C-N 3.31Å; R84-A86 PolarHBondContact O-N 2.98Å; A86-L88 HydrophobicContact CB-CD1 4.36Å; A86-L88 HydrophobicContact CB-CG 4.48Å; A86-L88 PolarHBondContact O-N 3.27Å
87	G	67.2	Low	60.1	Low	65 Å²	65	103.3 Å²	103.3	67%	0.67	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.2	30.1	175.7	0	0	0	0	0	115.5	R83 R84	R83-G87 PolarHBondContact O-N 3.47Å; R83-G87 VanDerWaalsContact O-N 3.14Å; R84-G87 PolarHBondContact O-N 3.23Å
88	L	70.4	Confident	57.9	Low	34 Å²	34	100.6 Å²	100.6	18%	0.178	57%	0.569	C	S	.	*			trans	-88.2	130.2	-177.5	-73.9	166.3	0	0	0	112.9	L63 L67 R83 A86	L63-L88 HydrophobicContact CD2-CD1 3.78Å; L67-L88 HydrophobicContact CD1-CD1 4.38Å; R83-L88 HydrophobicContact CG-CB 4.36Å; R83-L88 PolarHBondContact NE-O 3.09Å; R83-L88 PolarHBondContact O-N 2.7Å; A86-L88 HydrophobicContact CB-CD1 4.36Å; A86-L88 HydrophobicContact CB-CG 4.48Å; A86-L88 PolarHBondContact O-N 3.27Å
89	P	59.7	Low	55.7	Low	97 Å²	97	105.4 Å²	105.4	63%	0.63	59%	0.59	S	S	*	*			trans	-70.2	154.2	175.8	27.6	-31.8	0	0	0	112.2	E91	P89-E91 VanDerWaalsContact C-N 3.26Å; P89-E91 PolarHBondContact O-N 2.97Å
90	E	52.5	Low	53.4	Low	146 Å²	146	110.1 Å²	110.1	68%	0.682	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-22.8	-168.2	-164.2	139.4	-107.4	0	0	115.6	R83	R83-E90 IonicContact CZ-OE1 3.77Å; R83-E90 IonicContact NH1-OE1 3.18Å; R83-E90 PolarHBondContact NH1-OE1 2.72Å; R83-E90 IonicContact NH2-OE1 3.85Å; R83-E90 PolarHBondContact NH2-OE1 2.98Å
91	E	44.5	Very low	51.2	Low	190 Å²	190	109.7 Å²	109.7	89%	0.888	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	5.4	-165.7	-69.4	-173	141.6	0	0	115.3	P89 L93	P89-E91 VanDerWaalsContact C-N 3.26Å; P89-E91 PolarHBondContact O-N 2.97Å; E91-L93 PolarHBondContact O-N 3.1Å
92	A	45.8	Very low	48.8	Very low	70 Å²	70	108.8 Å²	108.8	58%	0.579	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	8.8	-172.7	0	0	0	0	0	115.7
93	L	48.1	Very low	46.7	Very low	56 Å²	56	111.9 Å²	111.9	29%	0.293	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.7	9.6	-169.6	-84.4	169.5	0	0	0	116.8	L64 Q68 E91	L64-L93 HydrophobicContact CD2-CD2 3.64Å; L64-L93 HydrophobicContact CD2-CG 4.19Å; Q68-L93 HydrophobicContact CG-CD2 4.48Å; E91-L93 PolarHBondContact O-N 3.1Å
94	D	36.1	Very low	44.5	Very low	151 Å²	151	111.6 Å²	111.6	81%	0.807	70%	0.696	S	S	*	*			trans	-117.3	113.6	177.6	-70.8	-29.8	0	0	0	113
95	P	36.3	Very low	42.4	Very low	124 Å²	124	111.1 Å²	111.1	81%	0.805	71%	0.707	S	S	*	*			trans	-80.2	122.6	155.8	30.5	-25.6	0	0	0	109.4	G97	P95-G97 PolarHBondContact O-N 3.48Å
96	K	32.3	Very low	40.3	Very low	209 Å²	209	107.3 Å²	107.3	91%	0.909	71%	0.71	S	S	*	*			trans	-51.3	118.4	173.4	-76.1	177.3	172.6	175.2	0	112.9
97	G	28.6	Very low	38.4	Very low	79 Å²	79	111 Å²	111	81%	0.814	73%	0.732	S	S	*	*				57.4	119.8	117.9	0	0	0	0	0	121.7	P95	P95-G97 PolarHBondContact O-N 3.48Å
98	A	26.8	Very low	36.6	Very low	94 Å²	94	111.1 Å²	111.1	78%	0.777	73%	0.734	S	S	*	*			trans	-144.2	123	135.5	0	0	0	0	0	110.8
99	D	29.2	Very low	34.6	Very low	153 Å²	153	113.7 Å²	113.7	82%	0.818	76%	0.76	S	S	*	*			trans	73.4	100.6	153.2	-59.2	-17	0	0	0	123.8
100	S	27.8	Very low	33.1	Very low	115 Å²	115	115.9 Å²	115.9	80%	0.804	77%	0.767	S	S	*	*				110.8	117.3	116	75.8	0	0	0	0	120.2
101	A	27.9	Very low	32.2	Very low	107 Å²	107	114.2 Å²	114.2	88%	0.884	77%	0.766	S	S	*	*			trans	78.7	115.4	141.1	0	0	0	0	0	121
102	G	27.8	Very low	31.4	Very low	67 Å²	67	113 Å²	113	69%	0.691	77%	0.766	S	S	*	*			trans	131.9	101.4	131.8	0	0	0	0	0	116.6
103	S	29	Very low	30.6	Very low	129 Å²	129	112.6 Å²	112.6	90%	0.902	77%	0.769	S	S	*	*			trans	42.4	129.3	142.6	61.2	0	0	0	0	119.5
104	G	28.3	Very low	29.6	Very low	64 Å²	64	113.6 Å²	113.6	66%	0.66	79%	0.793	S	S	*	*			cis	155.6	159	15.8	0	0	0	0	0	108.4
105	L	30.2	Very low	29.2	Very low	182 Å²	182	114.1 Å²	114.1	95%	0.953	80%	0.795	S	S	*	*			trans	64.3	107.7	160.8	-62.5	150	0	0	0	114.8
106	G	28.2	Very low	28.9	Very low	76 Å²	76	111.7 Å²	111.7	78%	0.784	79%	0.786	S	S	*	*				90	128	75.9	0	0	0	0	0	107.5
107	S	30.1	Very low	28.6	Very low	122 Å²	122	107.2 Å²	107.2	85%	0.853	78%	0.781	S	S	*	*			cis	-172.2	139.7	31	43.9	0	0	0	0	106.8
108	G	28	Very low	28.6	Very low	69 Å²	69	107 Å²	107	71%	0.711	77%	0.772	S	S	*	*				90.2	101.8	114.1	0	0	0	0	0	112
109	A	30.4	Very low	28.7	Very low	87 Å²	87	109.7 Å²	109.7	72%	0.719	77%	0.772	S	S	*	*				70.8	137.6	82.7	0	0	0	0	0	111
110	D	28.1	Very low	28.6	Very low	144 Å²	144	109.3 Å²	109.3	77%	0.77	77%	0.769	S	S	*	*			cis	-174.9	146.9	-0.9	-110.7	-25.3	0	0	0	106.1
111	V	31.7	Very low	28.6	Very low	111 Å²	111	108.4 Å²	108.4	67%	0.673	76%	0.763	S	S	*	*				75.2	137.4	127.3	-177.9	0	0	0	0	121.8
112	D	29.4	Very low	28.6	Very low	164 Å²	164	114 Å²	114	88%	0.877	76%	0.761	S	S	*	*			trans	80.7	132.9	153.6	-93	-1.7	0	0	0	119.4
113	G	27.4	Very low	28.5	Very low	62 Å²	62	116.6 Å²	116.6	64%	0.639	76%	0.763	S	S	*	*			cis	152.2	132.2	7	0	0	0	0	0	109.5
114	G	27.1	Very low	28.3	Very low	77 Å²	77	116.9 Å²	116.9	79%	0.794	76%	0.76	S	S	*	*			trans	63.7	160.4	159.4	0	0	0	0	0	117.8
115	D	29	Very low	28.2	Very low	162 Å²	162	120.7 Å²	120.7	87%	0.866	77%	0.77	S	S	*	*			cis	-166.5	158.7	-18.7	-145.1	-10.9	0	0	0	106.7
116	A	28.6	Very low	28	Very low	73 Å²	73	117.3 Å²	117.3	60%	0.603	76%	0.761	S	S	*	*			trans	50.8	104.7	146.1	0	0	0	0	0	121.9
117	S	27.7	Very low	28.1	Very low	115 Å²	115	118 Å²	118	80%	0.804	76%	0.76	S	S	*	*				89.1	144.7	113.2	94.3	0	0	0	0	121.1
118	A	28.8	Very low	28.1	Very low	75 Å²	75	118.2 Å²	118.2	62%	0.62	76%	0.758	S	S	*	*			trans	95.2	108.5	137.6	0	0	0	0	0	119.8
119	L	28.4	Very low	28	Very low	149 Å²	149	119 Å²	119	78%	0.78	77%	0.766	S	S	*	*				89.7	104.8	121	-64.4	168.3	0	0	0	118.4
120	L	27.6	Very low	27.9	Very low	145 Å²	145	118.7 Å²	118.7	76%	0.759	77%	0.772	S	S	*	*				56.9	110.9	119.6	-72.9	173	0	0	0	118.9
121	S	26.7	Very low	27.8	Very low	96 Å²	96	116.5 Å²	116.5	67%	0.671	77%	0.774	S	S	*	*				100.4	144.5	110.9	78.3	0	0	0	0	119.6
122	R	28.1	Very low	27.6	Very low	225 Å²	225	121.4 Å²	121.4	85%	0.849	79%	0.786	S	S	*	*			trans	89.1	102.2	158.2	-62.8	-167.7	161	148.7	-4.8	116.7
123	V	25.3	Very low	27.5	Very low	121 Å²	121	118 Å²	118	73%	0.733	78%	0.781	S	S	*	*				80	108.2	93.5	-174.1	0	0	0	0	110.8
124	T	24.4	Very low	28	Very low	136 Å²	136	120.7 Å²	120.7	83%	0.834	79%	0.787	S	S	*	*				172.2	145.9	114.4	31.4	0	0	0	0	111.3
125	V	27.5	Very low	27.9	Very low	143 Å²	143	124.2 Å²	124.2	87%	0.867	79%	0.793	S	S	*	*			trans	-65.1	138	179.1	173.7	0	0	0	0	111.7
126	S	26.2	Very low	27.9	Very low	111 Å²	111	126.5 Å²	126.5	78%	0.776	80%	0.795	S	S	*	*			trans	-157.8	119.3	141.7	55.9	0	0	0	0	110.6
127	A	28.5	Very low	27.8	Very low	92 Å²	92	128.2 Å²	128.2	76%	0.76	81%	0.81	S	S	*	*			trans	-79.4	151.4	156	0	0	0	0	0	108.3
128	P	31.9	Very low	27.7	Very low	126 Å²	126	126.3 Å²	126.3	82%	0.818	81%	0.808	S	S	*	*				-137.6	152	110.1	30.4	-15	0	0	0	113.3
129	G	26	Very low	27.7	Very low	84 Å²	84	131.4 Å²	131.4	87%	0.866	82%	0.819	S	S	*	*			trans	-71.9	168	-173.6	0	0	0	0	0	116
130	G	26.8	Very low	28.1	Very low	82 Å²	82	131.4 Å²	131.4	85%	0.845	82%	0.82	S	S	*	*			trans	-171.1	104.4	168.8	0	0	0	0	0	109.3
131	A	26.6	Very low	28.2	Very low	98 Å²	98	133.1 Å²	133.1	81%	0.81	82%	0.824	S	S	*	*			trans	-72.6	136.9	177	0	0	0	0	0	112
132	K	28.2	Very low	28.9	Very low	213 Å²	213	134.3 Å²	134.3	93%	0.926	83%	0.829	S	S	*	*			trans	-177.2	131.6	134.6	-102	171.2	-176.3	-177.8	0	111.8
133	A	26.9	Very low	29.4	Very low	94 Å²	94	128.5 Å²	128.5	78%	0.777	82%	0.815	S	S	*	*			trans	-84.5	-171.4	173.5	0	0	0	0	0	111.7
134	P	37	Very low	30.2	Very low	118 Å²	118	127.6 Å²	127.6	77%	0.766	81%	0.81	S	S	*	*				-122.2	155	-59.5	33.8	-19.7	0	0	0	111.2
135	T	25.6	Very low	30.8	Very low	150 Å²	150	126.7 Å²	126.7	92%	0.92	80%	0.8	S	S	*	*			trans	-140.8	141.1	158.8	44	0	0	0	0	110.8
136	K	28.3	Very low	31.8	Very low	211 Å²	211	124.2 Å²	124.2	92%	0.917	78%	0.784	S	S	*	*			trans	-89	150.8	-171.7	-89.6	-179	171	-179	0	112.4
137	A	27.7	Very low	32.3	Very low	109 Å²	109	123.1 Å²	123.1	90%	0.901	77%	0.773	S	S	*	*			trans	92.9	123.6	144	0	0	0	0	0	119.2
138	G	25.9	Very low	32.5	Very low	74 Å²	74	123.1 Å²	123.1	76%	0.763	76%	0.76	S	S	*	*			trans	136.8	79	143.2	0	0	0	0	0	117.8
139	E	27.7	Very low	33	Very low	183 Å²	183	120.2 Å²	120.2	86%	0.855	74%	0.742	S	S	*	*			trans	71.7	126.1	143.1	-69.3	173.8	170.7	0	0	123.4
140	D	36.6	Very low	33.5	Very low	149 Å²	149	118.9 Å²	118.9	80%	0.797	72%	0.723	S	S	*	*			trans	71.2	77.7	140.8	-62.7	-7.7	0	0	0	121.1
141	Q	29.6	Very low	33.9	Very low	180 Å²	180	124.2 Å²	124.2	84%	0.841	72%	0.719	S	S	*	*			trans	-129.7	142.3	139.5	-78	-170	-12.3	0	0	109.5	D143	Q141-D143 PolarHBondContact O-N 3.19Å; Q141-D143 VanDerWaalsContact O-N 3.16Å
142	P	41.3	Very low	34.6	Very low	121 Å²	121	123.4 Å²	123.4	79%	0.786	71%	0.708	S	S	*	*			trans	-61.2	122.4	176.2	26.3	-32.2	0	0	0	108.6	V144	P142-V144 PolarHBondContact O-N 3.24Å
143	D	39.3	Very low	35.7	Very low	103 Å²	103	118 Å²	118	55%	0.551	69%	0.686	S	S	*	*			trans	-54.1	111.3	-175.6	-120	-37.8	0	0	0	109.9	Q141 N145 V146 V147	Q141-D143 PolarHBondContact O-N 3.19Å; Q141-D143 VanDerWaalsContact O-N 3.16Å; D143-N145 HydrophobicContact CB-CB 4.47Å; D143-N145 PolarHBondContact O-N 3.33Å; D143-N145 VanDerWaalsContact O-N 3.09Å; D143-V146 HydrophobicContact CB-CB 4.06Å; D143-V146 HydrophobicContact CB-CG2 3.62Å; D143-V146 WeakPolarHBondContact O-CB 3.24Å; D143-V146 PolarHBondContact O-N 3.01Å; D143-V147 PolarHBondContact O-N 3.34Å
144	V	41.4	Very low	37	Very low	103 Å²	103	121.4 Å²	121.4	62%	0.624	69%	0.685	S	S	*	*	H	α-helix	trans	-57	-23.7	169.4	-179.7	0	0	0	0	109.9	P142 V147 L148	P142-V144 PolarHBondContact O-N 3.24Å; V144-V147 PolarHBondContact O-N 3.31Å; V144-L148 HydrophobicContact CG1-CD1 3.99Å; V144-L148 WeakPolarHBondContact O-CB 3.4Å; V144-L148 WeakPolarHBondContact O-CG 3.32Å; V144-L148 PolarHBondContact O-N 2.99Å
145	N	37.2	Very low	38.1	Very low	117 Å²	117	116.3 Å²	116.3	63%	0.626	66%	0.655	S	S	*	*	H	α-helix	trans	-67.8	-31.1	169.7	-95.2	-17.3	0	0	0	114.4	D143 S149	D143-N145 HydrophobicContact CB-CB 4.47Å; D143-N145 PolarHBondContact O-N 3.33Å; D143-N145 VanDerWaalsContact O-N 3.09Å; N145-S149 WeakPolarHBondContact O-CB 3.4Å; N145-S149 PolarHBondContact O-N 3.14Å; N145-S149 PolarHBondContact O-OG 2.93Å
146	V	49.1	Very low	40.5	Very low	90 Å²	90	113.3 Å²	113.3	55%	0.545	63%	0.633	S	S	.	*	H	α-helix	trans	-71.9	-40.3	174.3	171.2	0	0	0	0	109.6	D143 S149 A150	D143-V146 HydrophobicContact CB-CB 4.06Å; D143-V146 HydrophobicContact CB-CG2 3.62Å; D143-V146 WeakPolarHBondContact O-CB 3.24Å; D143-V146 PolarHBondContact O-N 3.01Å; V146-S149 WeakPolarHBondContact CA-OG 3.4Å; V146-S149 PolarHBondContact O-N 3.24Å; V146-S149 PolarHBondContact O-OG 2.97Å; V146-A150 PolarHBondContact O-N 3.37Å
147	V	36.5	Very low	42.8	Very low	88 Å²	88	104.5 Å²	104.5	53%	0.533	60%	0.598	S	S	.	*	H	α-helix	trans	-68.1	-37.7	174.7	-176	0	0	0	0	111.6	D143 V144 A150 Y151	D143-V147 PolarHBondContact O-N 3.34Å; V144-V147 PolarHBondContact O-N 3.31Å; V147-A150 WeakPolarHBondContact O-CB 3.25Å; V147-A150 PolarHBondContact O-N 3.49Å; V147-Y151 PolarHBondContact O-N 3.03Å
148	L	31.9	Very low	45.2	Very low	93 Å²	93	102.4 Å²	102.4	49%	0.487	58%	0.58	S	S	.	*	H	α-helix	trans	-70.9	-31.4	172.1	-79.6	161.2	0	0	0	112.6	V144 A150 Y151 S152	V144-L148 HydrophobicContact CG1-CD1 3.99Å; V144-L148 WeakPolarHBondContact O-CB 3.4Å; V144-L148 WeakPolarHBondContact O-CG 3.32Å; V144-L148 PolarHBondContact O-N 2.99Å; L148-A150 VanDerWaalsContact C-N 3.3Å; L148-Y151 CarbonylContact O-C 3.38Å; L148-Y151 WeakPolarHBondContact O-CA 3.47Å; L148-Y151 WeakPolarHBondContact O-CB 3.47Å; L148-Y151 PolarHBondContact O-N 3.26Å; L148-Y151 VanDerWaalsContact O-N 3.1Å; L148-S152 PolarHBondContact O-N 3.07Å; L148-S152 PolarHBondContact O-OG 3.08Å
149	S	42.6	Very low	48	Very low	64 Å²	64	101.9 Å²	101.9	45%	0.448	56%	0.56	S	S	.	*	H	α-helix	trans	-68	-30.5	172.3	75.9	0	0	0	0	112.4	N145 V146 Y151 S152	N145-S149 WeakPolarHBondContact O-CB 3.4Å; N145-S149 PolarHBondContact O-N 3.14Å; N145-S149 PolarHBondContact O-OG 2.93Å; V146-S149 WeakPolarHBondContact CA-OG 3.4Å; V146-S149 PolarHBondContact O-N 3.24Å; V146-S149 PolarHBondContact O-OG 2.97Å; S149-Y151 VanDerWaalsContact C-N 3.32Å; S149-S152 WeakPolarHBondContact CA-OG 3.27Å; S149-S152 WeakPolarHBondContact O-CA 3.3Å; S149-S152 VanDerWaalsContact O-CB 3.24Å; S149-S152 WeakPolarHBondContact O-CB 3.3Å; S149-S152 PolarHBondContact O-N 3.35Å
150	A	38.2	Very low	50.8	Low	57 Å²	57	93.4 Å²	93.4	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-68.1	-32.1	169	0	0	0	0	0	111.9	V146 V147 L148 S152	V146-A150 PolarHBondContact O-N 3.37Å; V147-A150 WeakPolarHBondContact O-CB 3.25Å; V147-A150 PolarHBondContact O-N 3.49Å; L148-A150 VanDerWaalsContact C-N 3.3Å; A150-S152 PolarHBondContact O-N 2.78Å
151	Y	34.2	Very low	53.2	Low	193 Å²	193	88.7 Å²	88.7	76%	0.757	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-9.4	166.7	-87.7	-86	0	0	0	113.8	V147 L148 S149	V147-Y151 PolarHBondContact O-N 3.03Å; L148-Y151 CarbonylContact O-C 3.38Å; L148-Y151 WeakPolarHBondContact O-CA 3.47Å; L148-Y151 WeakPolarHBondContact O-CB 3.47Å; L148-Y151 PolarHBondContact O-N 3.26Å; L148-Y151 VanDerWaalsContact O-N 3.1Å; S149-Y151 VanDerWaalsContact C-N 3.32Å
152	S	41.5	Very low	56	Low	82 Å²	82	84.3 Å²	84.3	57%	0.573	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	5.8	178.4	-47.7	0	0	0	0	113.4	L148 S149 A150 Q154	L148-S152 PolarHBondContact O-N 3.07Å; L148-S152 PolarHBondContact O-OG 3.08Å; S149-S152 WeakPolarHBondContact CA-OG 3.27Å; S149-S152 WeakPolarHBondContact O-CA 3.3Å; S149-S152 VanDerWaalsContact O-CB 3.24Å; S149-S152 WeakPolarHBondContact O-CB 3.3Å; S149-S152 PolarHBondContact O-N 3.35Å; A150-S152 PolarHBondContact O-N 2.78Å; S152-Q154 PolarHBondContact O-N 3.02Å
153	Q	51.4	Low	58.3	Low	98 Å²	98	81.1 Å²	81.1	46%	0.458	45%	0.451	S	S	.	.			trans	-69.6	-4.7	178	-77.9	-175.9	-21.8	0	0	114	G155	Q153-G155 VanDerWaalsContact C-N 3.29Å; Q153-G155 PolarHBondContact O-N 3.25Å
154	Q	54.1	Low	60.7	Low	166 Å²	166	76.3 Å²	76.3	78%	0.776	43%	0.425	S	S	*	.			trans	-81.1	78	175.6	-71.6	-177.5	-18.5	0	0	110.6	S152	S152-Q154 PolarHBondContact O-N 3.02Å
155	G	60.6	Low	63.1	Low	12 Å²	12	72.8 Å²	72.8	12%	0.124	41%	0.405	C	S	.	.			trans	-57.6	137.7	148.3	0	0	0	0	0	108.1	Q153 P157	Q153-G155 VanDerWaalsContact C-N 3.29Å; Q153-G155 PolarHBondContact O-N 3.25Å; G155-P157 VanDerWaalsContact O-CD 3.25Å; G155-P157 WeakPolarHBondContact O-CD 3.34Å; G155-P157 VanDerWaalsContact O-N 3.13Å
156	D	74.4	Confident	65.6	Low	87 Å²	87	68.6 Å²	68.6	47%	0.465	39%	0.389	S	S	.	.			trans	-58.8	117.1	177.1	-177.3	-9.4	0	0	0	109.3	A158 L159 Y160	D156-A158 PolarHBondContact O-N 2.87Å; D156-A158 VanDerWaalsContact O-N 3.1Å; D156-A158 PolarHBondContact OD1-N 3.04Å; D156-L159 HydrophobicContact CB-CB 4.26Å; D156-L159 HydrophobicContact CB-CD1 3.79Å; D156-L159 HydrophobicContact CB-CG 3.94Å; D156-L159 PolarHBondContact O-N 3.26Å; D156-Y160 WeakPolarHBondContact O-CD2 3.32Å
157	P	77.8	Confident	67.6	Low	26 Å²	26	64.3 Å²	64.3	17%	0.169	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-54.5	-32.3	-176.3	-26.9	34.8	0	0	0	113.3	G155 L159 Y160 L197 H202 E205	G155-P157 VanDerWaalsContact O-CD 3.25Å; G155-P157 WeakPolarHBondContact O-CD 3.34Å; G155-P157 VanDerWaalsContact O-N 3.13Å; P157-L159 VanDerWaalsContact C-N 3.29Å; P157-L159 PolarHBondContact O-N 3.34Å; P157-Y160 WeakPolarHBondContact O-CB 3.12Å; P157-Y160 PolarHBondContact O-N 3.24Å; P157-L197 HydrophobicContact CB-CD2 3.81Å; P157-H202 WeakPolarHBondContact CG-NE2 3.39Å; P157-E205 HydrophobicContact CB-CG 4.31Å
158	A	78.1	Confident	70.2	Confident	64 Å²	64	62 Å²	62	53%	0.529	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-71.5	-24.6	179.6	0	0	0	0	0	112.9	D156	D156-A158 PolarHBondContact O-N 2.87Å; D156-A158 VanDerWaalsContact O-N 3.1Å; D156-A158 PolarHBondContact OD1-N 3.04Å
159	L	84.7	Confident	73.1	Confident	64 Å²	64	64.8 Å²	64.8	34%	0.335	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-82.7	-12.2	179.8	-66.1	177.2	0	0	0	113	D156 P157 E161 V162 Y163	D156-L159 HydrophobicContact CB-CB 4.26Å; D156-L159 HydrophobicContact CB-CD1 3.79Å; D156-L159 HydrophobicContact CB-CG 3.94Å; D156-L159 PolarHBondContact O-N 3.26Å; P157-L159 VanDerWaalsContact C-N 3.29Å; P157-L159 PolarHBondContact O-N 3.34Å; L159-E161 VanDerWaalsContact C-N 3.28Å; L159-E161 PolarHBondContact O-N 2.95Å; L159-V162 HydrophobicContact CD2-CG2 4.49Å; L159-V162 WeakPolarHBondContact O-CB 3.45Å; L159-V162 PolarHBondContact O-N 3.28Å; L159-Y163 HydrophobicContact CB-CD2 4.06Å; L159-Y163 HydrophobicContact CB-CE1 4.1Å; L159-Y163 HydrophobicContact CB-CE2 3.49Å; L159-Y163 VanDerWaalsContact CB-CE2 3.49Å; L159-Y163 VanDerWaalsContact CD1-OH 3.27Å; L159-Y163 WeakPolarHBondContact CD1-OH 3.38Å; L159-Y163 WeakPolarHBondContact O-CB 3.31Å; L159-Y163 WeakPolarHBondContact O-CD2 3.34Å; L159-Y163 PolarHBondContact O-N 2.92Å
160	Y	85.9	Confident	75.5	Confident	5 Å²	5	63.3 Å²	63.3	2%	0.02	34%	0.34	C	S	.	.	H	α-helix	trans	-57.4	-41.2	179.2	-86.2	-126.5	0	0	0	111.8	D156 P157 V162 Y163 Y164 M193 E196 L197 Q274 I278	D156-Y160 WeakPolarHBondContact O-CD2 3.32Å; P157-Y160 WeakPolarHBondContact O-CB 3.12Å; P157-Y160 PolarHBondContact O-N 3.24Å; Y160-V162 VanDerWaalsContact C-N 3.34Å; Y160-V162 PolarHBondContact O-N 3.19Å; Y160-Y163 PolarHBondContact O-N 3.42Å; Y160-Y164 WeakPolarHBondContact O-CB 3.36Å; Y160-Y164 PolarHBondContact O-N 3.27Å; Y160-M193 HydrophobicContact CD1-CB 3.97Å; Y160-M193 HydrophobicContact CD1-CE 3.27Å; Y160-M193 HydrophobicContact CD1-CG 4.06Å; Y160-M193 HydrophobicContact CE1-CB 4.25Å; Y160-M193 HydrophobicContact CE1-CE 4.03Å; Y160-M193 HydrophobicContact CE1-CG 4.15Å; Y160-M193 HydrophobicContact CG-CE 3.61Å; Y160-M193 WeakPolarHBondContact O-CE 3.38Å; Y160-E196 WeakPolarHBondContact CE1-OE2 3.28Å; Y160-E196 PolarHBondContact OH-OE1 3.03Å; Y160-E196 PolarHBondContact OH-OE2 3.12Å; Y160-L197 HydrophobicContact CD1-CD1 4.23Å; Y160-L197 HydrophobicContact CD1-CD2 4.18Å; Y160-L197 HydrophobicContact CD1-CG 4.12Å; Y160-L197 HydrophobicContact CG-CD2 4.28Å; Y160-Q274 HydrophobicContact CE2-CG 4.31Å; Y160-Q274 PolarHBondContact OH-NE2 3.36Å; Y160-I278 HydrophobicContact CE1-CD1 4.19Å
161	E	87.8	Confident	78.1	Confident	49 Å²	49	60.6 Å²	60.6	23%	0.229	32%	0.318	C	S	.	.	H	α-helix	trans	-62.9	-40.4	175.2	-69.4	-170.1	-161.8	0	0	112.9	L159 S165 F209 K212 F213	L159-E161 VanDerWaalsContact C-N 3.28Å; L159-E161 PolarHBondContact O-N 2.95Å; E161-S165 VanDerWaalsContact O-CB 3.23Å; E161-S165 WeakPolarHBondContact O-CB 3.36Å; E161-S165 PolarHBondContact O-N 3.15Å; E161-S165 PolarHBondContact O-OG 3.1Å; E161-F209 HydrophobicContact CG-CD2 4.07Å; E161-K212 IonicContact OE2-NZ 3.39Å; E161-K212 PolarHBondContact OE2-NZ 3.31Å; E161-F213 HydrophobicContact CB-CE2 4.4Å; E161-F213 HydrophobicContact CG-CE2 4.39Å
162	V	89.1	Confident	80.8	Confident	88 Å²	88	55.6 Å²	55.6	53%	0.533	30%	0.301	S	S	.	.	H	α-helix	trans	-70.5	-42.9	-178.4	-178.5	0	0	0	0	109.8	L159 Y160 S165 G166	L159-V162 HydrophobicContact CD2-CG2 4.49Å; L159-V162 WeakPolarHBondContact O-CB 3.45Å; L159-V162 PolarHBondContact O-N 3.28Å; Y160-V162 VanDerWaalsContact C-N 3.34Å; Y160-V162 PolarHBondContact O-N 3.19Å; V162-S165 PolarHBondContact O-N 3.42Å; V162-G166 PolarHBondContact O-N 2.84Å
163	Y	88.2	Confident	83.2	Confident	54 Å²	54	56 Å²	56	21%	0.212	30%	0.304	C	S	.	.	H	α-helix	trans	-59.6	-52.6	175.9	-64.6	-29.1	0	0	0	111.1	L159 Y160 S165 G166 L167 Q274 I275	L159-Y163 HydrophobicContact CB-CD2 4.06Å; L159-Y163 HydrophobicContact CB-CE1 4.1Å; L159-Y163 HydrophobicContact CB-CE2 3.49Å; L159-Y163 VanDerWaalsContact CB-CE2 3.49Å; L159-Y163 VanDerWaalsContact CD1-OH 3.27Å; L159-Y163 WeakPolarHBondContact CD1-OH 3.38Å; L159-Y163 WeakPolarHBondContact O-CB 3.31Å; L159-Y163 WeakPolarHBondContact O-CD2 3.34Å; L159-Y163 PolarHBondContact O-N 2.92Å; Y160-Y163 PolarHBondContact O-N 3.42Å; Y163-S165 PolarHBondContact O-N 3.33Å; Y163-G166 PolarHBondContact O-N 3.29Å; Y163-L167 PolarHBondContact O-N 3.22Å; Y163-Q274 HydrophobicContact CD2-CB 4.34Å; Y163-Q274 HydrophobicContact CE2-CB 4.05Å; Y163-Q274 HydrophobicContact CE2-CG 4.43Å; Y163-I275 WeakPolarHBondContact O-CD1 3.34Å
164	Y	90.9	Very high	85.2	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-43.1	179	-170.9	-90.7	0	0	0	111.8	Y160 G166 L167 K168 F186 L189 F190 M193 F209 F213 Q217	Y160-Y164 WeakPolarHBondContact O-CB 3.36Å; Y160-Y164 PolarHBondContact O-N 3.27Å; Y164-G166 VanDerWaalsContact C-N 3.3Å; Y164-G166 PolarHBondContact O-N 3.11Å; Y164-L167 PolarHBondContact O-N 2.93Å; Y164-K168 WeakPolarHBondContact O-CB 3.37Å; Y164-K168 PolarHBondContact O-N 3.46Å; Y164-F186 HydrophobicContact CE2-CD1 4.42Å; Y164-L189 HydrophobicContact CD2-CD2 4.2Å; Y164-L189 HydrophobicContact CD2-CG 4.46Å; Y164-L189 HydrophobicContact CE2-CD2 4.43Å; Y164-F190 HydrophobicContact CE2-CB 4.01Å; Y164-M193 HydrophobicContact CD2-SD 4.12Å; Y164-F209 HydrophobicContact CD2-CZ 4.18Å; Y164-F209 HydrophobicContact CG-CE2 4.12Å; Y164-F209 HydrophobicContact CG-CZ 4.18Å; Y164-F213 HydrophobicContact CD1-CB 4.41Å; Y164-F213 AromaticContact CD1-CD1 3.49Å; Y164-F213 HydrophobicContact CD1-CD1 3.49Å; Y164-F213 VanDerWaalsContact CD1-CD1 3.49Å; Y164-F213 AromaticContact CD1-CD2 3.82Å; Y164-F213 HydrophobicContact CD1-CD2 3.82Å; Y164-F213 AromaticContact CD1-CE1 3.54Å; Y164-F213 HydrophobicContact CD1-CE1 3.54Å; Y164-F213 AromaticContact CD1-CE2 3.87Å; Y164-F213 HydrophobicContact CD1-CE2 3.87Å; Y164-F213 AromaticContact CD1-CG 3.64Å; Y164-F213 HydrophobicContact CD1-CG 3.64Å; Y164-F213 AromaticContact CD1-CZ 3.73Å; Y164-F213 HydrophobicContact CD1-CZ 3.73Å; Y164-F213 HydrophobicContact CE1-CB 3.95Å; Y164-F213 AromaticContact CE1-CD1 3.47Å; Y164-F213 HydrophobicContact CE1-CD1 3.47Å; Y164-F213 VanDerWaalsContact CE1-CD1 3.47Å; Y164-F213 HydrophobicContact CE1-CD2 4.23Å; Y164-F213 AromaticContact CE1-CE1 3.97Å; Y164-F213 HydrophobicContact CE1-CE1 3.97Å; Y164-F213 AromaticContact CE1-CG 3.62Å; Y164-F213 HydrophobicContact CE1-CG 3.62Å; Y164-F213 HydrophobicContact CG-CE2 4.46Å; Y164-Q217 PolarHBondContact OH-NE2 2.87Å; Y164-Q217 VanDerWaalsContact OH-NE2 3.09Å
165	S	90.9	Very high	87	Confident	29 Å²	29	50.4 Å²	50.4	20%	0.203	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-38.4	174.8	-60.7	0	0	0	0	112.8	E161 V162 Y163 K169 F213	E161-S165 VanDerWaalsContact O-CB 3.23Å; E161-S165 WeakPolarHBondContact O-CB 3.36Å; E161-S165 PolarHBondContact O-N 3.15Å; E161-S165 PolarHBondContact O-OG 3.1Å; V162-S165 PolarHBondContact O-N 3.42Å; Y163-S165 PolarHBondContact O-N 3.33Å; S165-K169 WeakPolarHBondContact O-CG 3.12Å; S165-K169 PolarHBondContact O-N 3Å; S165-F213 WeakPolarHBondContact OG-CZ 3.33Å
166	G	89.9	Confident	88.3	Confident	29 Å²	29	56 Å²	56	30%	0.299	31%	0.309	S	S	.	.	H	α-helix	trans	-64.6	-45.5	177.5	0	0	0	0	0	112	V162 Y163 Y164 F170	V162-G166 PolarHBondContact O-N 2.84Å; Y163-G166 PolarHBondContact O-N 3.29Å; Y164-G166 VanDerWaalsContact C-N 3.3Å; Y164-G166 PolarHBondContact O-N 3.11Å; G166-F170 PolarHBondContact O-N 3.42Å; G166-F170 VanDerWaalsContact O-N 3.12Å
167	L	90.9	Very high	89	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66	-41.8	175.7	-176	67	0	0	0	111.8	Y163 Y164 F170 I171 L189 L263 L267 I275	Y163-L167 PolarHBondContact O-N 3.22Å; Y164-L167 PolarHBondContact O-N 2.93Å; L167-F170 HydrophobicContact CD1-CD1 4.17Å; L167-F170 WeakPolarHBondContact O-CB 3.36Å; L167-F170 PolarHBondContact O-N 3.42Å; L167-I171 HydrophobicContact CD1-CD1 4.23Å; L167-I171 HydrophobicContact CD1-CG1 4.45Å; L167-I171 HydrophobicContact CD2-CD1 4.39Å; L167-I171 HydrophobicContact CG-CD1 3.91Å; L167-I171 HydrophobicContact CG-CG1 4.48Å; L167-I171 WeakPolarHBondContact O-CG1 3.46Å; L167-I171 PolarHBondContact O-N 3.22Å; L167-L189 HydrophobicContact CD2-CD2 3.33Å; L167-L263 HydrophobicContact CD1-CD1 3.99Å; L167-L267 HydrophobicContact CD1-CD2 4.4Å; L167-I275 HydrophobicContact CB-CD1 4.22Å; L167-I275 HydrophobicContact CD2-CG2 4.27Å
168	K	92.1	Very high	89.6	Confident	41 Å²	41	54.9 Å²	54.9	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-56.7	-52.3	175.9	-175.9	-177.3	179.6	-175.5	0	111.8	Y164 F170 I171 E172 F186 D216	Y164-K168 WeakPolarHBondContact O-CB 3.37Å; Y164-K168 PolarHBondContact O-N 3.46Å; K168-F170 PolarHBondContact O-N 3.4Å; K168-I171 PolarHBondContact O-N 3.47Å; K168-E172 WeakPolarHBondContact CE-OE1 3.49Å; K168-E172 HydrophobicContact CG-CG 4.49Å; K168-E172 WeakPolarHBondContact O-CG 3.35Å; K168-E172 PolarHBondContact O-N 2.85Å; K168-F186 HydrophobicContact CB-CE1 4Å; K168-F186 HydrophobicContact CB-CZ 4.41Å; K168-F186 HydrophobicContact CG-CE1 4.13Å; K168-F186 HydrophobicContact CG-CZ 4.16Å; K168-D216 IonicContact NZ-OD1 2.79Å; K168-D216 PolarHBondContact NZ-OD1 3.44Å; K168-D216 IonicContact NZ-OD2 3.9Å; K168-D216 PolarHBondContact NZ-OD2 2.91Å
169	K	92.2	Very high	90.3	Very high	151 Å²	151	56.8 Å²	56.8	66%	0.657	30%	0.299	S	S	*	.	H	α-helix	trans	-59.1	-36.5	177	-74.1	178.4	-179.3	179.9	0	112.6	S165 S173	S165-K169 WeakPolarHBondContact O-CG 3.12Å; S165-K169 PolarHBondContact O-N 3Å; K169-S173 WeakPolarHBondContact O-CB 3.48Å; K169-S173 PolarHBondContact O-N 3.42Å; K169-S173 PolarHBondContact O-OG 3.46Å
170	F	92.4	Very high	90.6	Very high	33 Å²	33	54.4 Å²	54.4	15%	0.145	29%	0.289	C	S	.	.	H	α-helix	trans	-63.4	-54.4	174.5	165.6	-107.4	0	0	0	111	G166 L167 K168 E172 S173 V174 L182 L263 H266	G166-F170 PolarHBondContact O-N 3.42Å; G166-F170 VanDerWaalsContact O-N 3.12Å; L167-F170 HydrophobicContact CD1-CD1 4.17Å; L167-F170 WeakPolarHBondContact O-CB 3.36Å; L167-F170 PolarHBondContact O-N 3.42Å; K168-F170 PolarHBondContact O-N 3.4Å; F170-E172 VanDerWaalsContact C-N 3.27Å; F170-E172 PolarHBondContact O-N 3.1Å; F170-S173 WeakPolarHBondContact O-CA 3.21Å; F170-S173 WeakPolarHBondContact O-CB 3.47Å; F170-S173 PolarHBondContact O-N 3.16Å; F170-S173 PolarHBondContact O-OG 3.02Å; F170-V174 HydrophobicContact CD2-CG2 4.26Å; F170-V174 HydrophobicContact CE1-CG2 4.25Å; F170-V174 HydrophobicContact CE2-CG2 3.8Å; F170-V174 HydrophobicContact CZ-CG2 3.79Å; F170-V174 WeakPolarHBondContact O-CG2 3.39Å; F170-V174 PolarHBondContact O-N 3.28Å; F170-L182 HydrophobicContact CE1-CD1 4.48Å; F170-L263 HydrophobicContact CE1-CD1 4.41Å; F170-H266 HydrophobicContact CD1-CB 4.15Å; F170-H266 AromaticContact CD1-CD2 3.56Å; F170-H266 AromaticContact CD1-CG 3.72Å; F170-H266 HydrophobicContact CD2-CB 4.12Å; F170-H266 AromaticContact CD2-CE1 3.78Å; F170-H266 AromaticContact CD2-CG 3.6Å; F170-H266 AromaticContact CD2-ND1 3.4Å; F170-H266 WeakPolarHBondContact CD2-ND1 3.34Å; F170-H266 HydrophobicContact CE1-CB 3.76Å; F170-H266 AromaticContact CE1-CG 3.87Å; F170-H266 HydrophobicContact CE2-CB 3.71Å; F170-H266 AromaticContact CE2-CG 3.74Å; F170-H266 AromaticContact CE2-ND1 3.82Å; F170-H266 HydrophobicContact CG-CB 4.32Å; F170-H266 AromaticContact CG-CD2 3.58Å; F170-H266 AromaticContact CG-CE1 3.68Å; F170-H266 AromaticContact CG-CG 3.58Å; F170-H266 AromaticContact CG-ND1 3.65Å; F170-H266 AromaticContact CG-NE2 3.66Å; F170-H266 HydrophobicContact CZ-CB 3.52Å; F170-H266 AromaticContact CZ-CG 3.87Å
171	I	92.1	Very high	90.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-38.9	-178.2	-67.1	170.4	0	0	0	111.2	L167 K168 S173 V174 R179 L182 F186	L167-I171 HydrophobicContact CD1-CD1 4.23Å; L167-I171 HydrophobicContact CD1-CG1 4.45Å; L167-I171 HydrophobicContact CD2-CD1 4.39Å; L167-I171 HydrophobicContact CG-CD1 3.91Å; L167-I171 HydrophobicContact CG-CG1 4.48Å; L167-I171 WeakPolarHBondContact O-CG1 3.46Å; L167-I171 PolarHBondContact O-N 3.22Å; K168-I171 PolarHBondContact O-N 3.47Å; I171-S173 VanDerWaalsContact C-N 3.26Å; I171-S173 PolarHBondContact O-N 2.68Å; I171-V174 PolarHBondContact O-N 3.2Å; I171-R179 HydrophobicContact CG2-CG 4.33Å; I171-L182 HydrophobicContact CD1-CB 4.33Å; I171-L182 HydrophobicContact CG1-CB 4.11Å; I171-L182 HydrophobicContact CG2-CB 3.94Å; I171-F186 HydrophobicContact CB-CE1 4.44Å; I171-F186 HydrophobicContact CB-CE2 4.44Å; I171-F186 HydrophobicContact CB-CZ 3.74Å; I171-F186 HydrophobicContact CD1-CD1 4.33Å; I171-F186 HydrophobicContact CD1-CE1 3.63Å; I171-F186 HydrophobicContact CD1-CE2 4.38Å; I171-F186 HydrophobicContact CD1-CZ 3.67Å; I171-F186 HydrophobicContact CG1-CZ 4.28Å; I171-F186 HydrophobicContact CG2-CE2 3.88Å; I171-F186 HydrophobicContact CG2-CZ 3.68Å
172	E	91.3	Very high	91.1	Very high	87 Å²	87	51.8 Å²	51.8	41%	0.407	28%	0.277	S	S	.	.	H	α-helix	trans	-66.7	-24.1	175.5	-70.5	176.1	164.5	0	0	113.8	K168 F170	K168-E172 WeakPolarHBondContact CE-OE1 3.49Å; K168-E172 HydrophobicContact CG-CG 4.49Å; K168-E172 WeakPolarHBondContact O-CG 3.35Å; K168-E172 PolarHBondContact O-N 2.85Å; F170-E172 VanDerWaalsContact C-N 3.27Å; F170-E172 PolarHBondContact O-N 3.1Å
173	S	92.4	Very high	91.3	Very high	92 Å²	92	48.9 Å²	48.9	64%	0.643	26%	0.26	S	S	*	.	H	α-helix	trans	-86.9	-11.8	178.4	73.5	0	0	0	0	114.2	K169 F170 I171	K169-S173 WeakPolarHBondContact O-CB 3.48Å; K169-S173 PolarHBondContact O-N 3.42Å; K169-S173 PolarHBondContact O-OG 3.46Å; F170-S173 WeakPolarHBondContact O-CA 3.21Å; F170-S173 WeakPolarHBondContact O-CB 3.47Å; F170-S173 PolarHBondContact O-N 3.16Å; F170-S173 PolarHBondContact O-OG 3.02Å; I171-S173 VanDerWaalsContact C-N 3.26Å; I171-S173 PolarHBondContact O-N 2.68Å
174	V	93.3	Very high	91.4	Very high	22 Å²	22	47.4 Å²	47.4	13%	0.133	26%	0.255	C	S	.	.	S	Bend	trans	-79.7	154.8	179.8	177.7	0	0	0	0	110.1	F170 I171 H178 L182 L262	F170-V174 HydrophobicContact CD2-CG2 4.26Å; F170-V174 HydrophobicContact CE1-CG2 4.25Å; F170-V174 HydrophobicContact CE2-CG2 3.8Å; F170-V174 HydrophobicContact CZ-CG2 3.79Å; F170-V174 WeakPolarHBondContact O-CG2 3.39Å; F170-V174 PolarHBondContact O-N 3.28Å; I171-V174 PolarHBondContact O-N 3.2Å; V174-H178 HydrophobicContact CG1-CB 3.58Å; V174-L182 HydrophobicContact CG1-CD1 4.43Å; V174-L182 HydrophobicContact CG2-CD1 4.5Å; V174-L262 HydrophobicContact CG1-CD1 4.35Å
175	L	91.5	Very high	91.5	Very high	123 Å²	123	47.4 Å²	47.4	64%	0.644	26%	0.255	S	S	*	.			trans	-50.5	145.8	173.4	-64	171.7	0	0	0	112.5	C177 H178 R179	L175-C177 VanDerWaalsContact C-N 3.26Å; L175-C177 PolarHBondContact O-N 3.3Å; L175-C177 VanDerWaalsContact O-N 3.14Å; L175-H178 PolarHBondContact O-N 3.13Å; L175-H178 VanDerWaalsContact O-N 3.09Å; L175-R179 WeakPolarHBondContact O-CB 3.18Å; L175-R179 PolarHBondContact O-N 3.4Å
176	D	89.1	Confident	91.6	Very high	129 Å²	129	47.4 Å²	47.4	69%	0.69	25%	0.252	S	S	*	.	H	α-helix	trans	-55.6	-36.6	-173.8	-65.2	-30.6	0	0	0	114	R179 A180	D176-R179 PolarHBondContact O-N 3Å; D176-A180 PolarHBondContact O-N 3.35Å
177	C	88.4	Confident	91.7	Very high	65 Å²	65	46.4 Å²	46.4	44%	0.439	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-45.2	178.5	53.3	0	0	0	0	112.7	L175 P292	L175-C177 VanDerWaalsContact C-N 3.26Å; L175-C177 PolarHBondContact O-N 3.3Å; L175-C177 VanDerWaalsContact O-N 3.14Å; C177-P292 HydrophobicContact CB-CB 4.48Å
178	H	91.1	Very high	91.8	Very high	26 Å²	26	46.4 Å²	46.4	12%	0.12	24%	0.239	C	C	.	.	H	α-helix	trans	-81.7	-29.7	178.2	-58.5	-64.7	0	0	0	111.4	V174 L175 A180 E181 L182 S259 L262	V174-H178 HydrophobicContact CG1-CB 3.58Å; L175-H178 PolarHBondContact O-N 3.13Å; L175-H178 VanDerWaalsContact O-N 3.09Å; H178-A180 VanDerWaalsContact C-N 3.26Å; H178-A180 PolarHBondContact O-N 3.28Å; H178-E181 PolarHBondContact O-N 3.41Å; H178-L182 HydrophobicContact CB-CD1 4.5Å; H178-L182 WeakPolarHBondContact O-CB 3.39Å; H178-L182 VanDerWaalsContact O-CG 3.28Å; H178-L182 WeakPolarHBondContact O-CG 3.36Å; H178-L182 PolarHBondContact O-N 2.94Å; H178-S259 PolarHBondContact ND1-OG 2.78Å; H178-L262 HydrophobicContact CB-CD1 4.3Å
179	R	93.1	Very high	91.8	Very high	104 Å²	104	44.5 Å²	44.5	39%	0.392	23%	0.231	S	C	.	.	H	α-helix	trans	-57.5	-40.7	176.2	-176.9	178.1	178.3	-176.6	2.8	111.6	I171 L175 D176 E181 L182 S183	I171-R179 HydrophobicContact CG2-CG 4.33Å; L175-R179 WeakPolarHBondContact O-CB 3.18Å; L175-R179 PolarHBondContact O-N 3.4Å; D176-R179 PolarHBondContact O-N 3Å; R179-E181 VanDerWaalsContact C-N 3.34Å; R179-E181 PolarHBondContact O-N 2.91Å; R179-L182 PolarHBondContact O-N 3.02Å; R179-S183 WeakPolarHBondContact O-CB 3.15Å; R179-S183 PolarHBondContact O-N 3.07Å; R179-S183 PolarHBondContact O-OG 3.47Å
180	A	90.8	Very high	91.9	Very high	13 Å²	13	37.3 Å²	37.3	11%	0.107	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-38.4	177.5	0	0	0	0	0	113.2	D176 H178 S183 K295 I298	D176-A180 PolarHBondContact O-N 3.35Å; H178-A180 VanDerWaalsContact C-N 3.26Å; H178-A180 PolarHBondContact O-N 3.28Å; A180-S183 PolarHBondContact O-OG 2.98Å; A180-K295 HydrophobicContact CB-CB 4.07Å; A180-I298 HydrophobicContact CB-CD1 4.1Å; A180-I298 VanDerWaalsContact O-CD1 3.23Å; A180-I298 WeakPolarHBondContact O-CD1 3.49Å
181	E	91.6	Very high	91.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-77.1	-43.9	176.2	-70.1	-168.1	150.7	0	0	112.1	H178 R179 S183 Q184 I255 S256 S259 F288 P292 R293 I298	H178-E181 PolarHBondContact O-N 3.41Å; R179-E181 VanDerWaalsContact C-N 3.34Å; R179-E181 PolarHBondContact O-N 2.91Å; E181-S183 VanDerWaalsContact C-N 3.26Å; E181-S183 PolarHBondContact O-N 3.21Å; E181-Q184 WeakPolarHBondContact O-CB 3.29Å; E181-Q184 VanDerWaalsContact O-CG 3.31Å; E181-Q184 WeakPolarHBondContact O-CG 3.17Å; E181-Q184 PolarHBondContact O-N 3.41Å; E181-I255 HydrophobicContact CB-CG2 4.18Å; E181-S256 PolarHBondContact OE1-N 3.13Å; E181-S256 WeakPolarHBondContact OE2-CB 3.33Å; E181-S256 PolarHBondContact OE2-N 3.18Å; E181-S256 PolarHBondContact OE2-OG 3.36Å; E181-S259 WeakPolarHBondContact OE2-CB 3.08Å; E181-S259 PolarHBondContact OE2-OG 3.41Å; E181-F288 WeakPolarHBondContact OE1-CZ 3.47Å; E181-P292 HydrophobicContact CG-CB 4.33Å; E181-P292 WeakPolarHBondContact OE1-CA 3.27Å; E181-R293 PolarHBondContact OE1-N 3.21Å; E181-I298 HydrophobicContact CB-CD1 4.47Å; E181-I298 HydrophobicContact CG-CD1 3.88Å
182	L	92.3	Very high	91.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-69.6	-24.9	-176.9	-66.4	178.5	0	0	0	112.5	F170 I171 V174 H178 R179 Q184 V185 L263	F170-L182 HydrophobicContact CE1-CD1 4.48Å; I171-L182 HydrophobicContact CD1-CB 4.33Å; I171-L182 HydrophobicContact CG1-CB 4.11Å; I171-L182 HydrophobicContact CG2-CB 3.94Å; V174-L182 HydrophobicContact CG1-CD1 4.43Å; V174-L182 HydrophobicContact CG2-CD1 4.5Å; H178-L182 HydrophobicContact CB-CD1 4.5Å; H178-L182 WeakPolarHBondContact O-CB 3.39Å; H178-L182 VanDerWaalsContact O-CG 3.28Å; H178-L182 WeakPolarHBondContact O-CG 3.36Å; H178-L182 PolarHBondContact O-N 2.94Å; R179-L182 PolarHBondContact O-N 3.02Å; L182-Q184 PolarHBondContact O-N 3.36Å; L182-V185 WeakPolarHBondContact O-CB 3.44Å; L182-V185 PolarHBondContact O-N 3.3Å; L182-V185 VanDerWaalsContact O-N 3.11Å; L182-L263 HydrophobicContact CD2-CB 3.86Å; L182-L263 HydrophobicContact CD2-CD2 4.11Å; L182-L263 HydrophobicContact CD2-CG 4.4Å
183	S	92	Very high	91.8	Very high	27 Å²	27	31.8 Å²	31.8	19%	0.189	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-63.4	-22	174.4	59.9	0	0	0	0	113.2	R179 A180 E181 V185 F186	R179-S183 WeakPolarHBondContact O-CB 3.15Å; R179-S183 PolarHBondContact O-N 3.07Å; R179-S183 PolarHBondContact O-OG 3.47Å; A180-S183 PolarHBondContact O-OG 2.98Å; E181-S183 VanDerWaalsContact C-N 3.26Å; E181-S183 PolarHBondContact O-N 3.21Å; S183-V185 PolarHBondContact O-N 3.12Å; S183-F186 WeakPolarHBondContact O-CB 3.4Å; S183-F186 VanDerWaalsContact O-CD2 3.24Å; S183-F186 WeakPolarHBondContact O-CD2 3.41Å; S183-F186 PolarHBondContact O-N 3.28Å; S183-F186 VanDerWaalsContact O-N 3.14Å
184	Q	91.4	Very high	91.8	Very high	23 Å²	23	27.6 Å²	27.6	11%	0.107	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-63.5	-21.7	174.5	-58.3	176.7	11.1	0	0	113.1	E181 L182 F186 P188 L253 R254 I298	E181-Q184 WeakPolarHBondContact O-CB 3.29Å; E181-Q184 VanDerWaalsContact O-CG 3.31Å; E181-Q184 WeakPolarHBondContact O-CG 3.17Å; E181-Q184 PolarHBondContact O-N 3.41Å; L182-Q184 PolarHBondContact O-N 3.36Å; Q184-F186 VanDerWaalsContact C-N 3.27Å; Q184-F186 PolarHBondContact O-N 3.43Å; Q184-P188 WeakPolarHBondContact O-CD 3.4Å; Q184-L253 HydrophobicContact CB-CD2 3.81Å; Q184-R254 PolarHBondContact OE1-O 2.77Å; Q184-I298 HydrophobicContact CG-CG2 3.66Å
185	V	92.4	Very high	91.6	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-72.4	-23	178.7	-177.9	0	0	0	0	111.3	L182 S183 P188 L189 L253 L263 I279 L283	L182-V185 WeakPolarHBondContact O-CB 3.44Å; L182-V185 PolarHBondContact O-N 3.3Å; L182-V185 VanDerWaalsContact O-N 3.11Å; S183-V185 PolarHBondContact O-N 3.12Å; V185-P188 WeakPolarHBondContact O-CD 3.25Å; V185-L189 HydrophobicContact CG1-CB 4.31Å; V185-L189 HydrophobicContact CG1-CD2 4.45Å; V185-L189 WeakPolarHBondContact O-CB 3.46Å; V185-L189 PolarHBondContact O-N 3.41Å; V185-L189 VanDerWaalsContact O-N 3.14Å; V185-L253 HydrophobicContact CG2-CD1 3.95Å; V185-L263 HydrophobicContact CG2-CD2 4.35Å; V185-I279 HydrophobicContact CG1-CD1 4.49Å; V185-L283 HydrophobicContact CG1-CD1 4.2Å
186	F	92.5	Very high	91.5	Very high	29 Å²	29	21.4 Å²	21.4	13%	0.127	11%	0.111	C	C	.	.	H	α-helix	trans	-59.8	-54.4	-174.3	-72.8	-48.6	0	0	0	113.2	Y164 K168 I171 S183 Q184 F190	Y164-F186 HydrophobicContact CE2-CD1 4.42Å; K168-F186 HydrophobicContact CB-CE1 4Å; K168-F186 HydrophobicContact CB-CZ 4.41Å; K168-F186 HydrophobicContact CG-CE1 4.13Å; K168-F186 HydrophobicContact CG-CZ 4.16Å; I171-F186 HydrophobicContact CB-CE1 4.44Å; I171-F186 HydrophobicContact CB-CE2 4.44Å; I171-F186 HydrophobicContact CB-CZ 3.74Å; I171-F186 HydrophobicContact CD1-CD1 4.33Å; I171-F186 HydrophobicContact CD1-CE1 3.63Å; I171-F186 HydrophobicContact CD1-CE2 4.38Å; I171-F186 HydrophobicContact CD1-CZ 3.67Å; I171-F186 HydrophobicContact CG1-CZ 4.28Å; I171-F186 HydrophobicContact CG2-CE2 3.88Å; I171-F186 HydrophobicContact CG2-CZ 3.68Å; S183-F186 WeakPolarHBondContact O-CB 3.4Å; S183-F186 VanDerWaalsContact O-CD2 3.24Å; S183-F186 WeakPolarHBondContact O-CD2 3.41Å; S183-F186 PolarHBondContact O-N 3.28Å; S183-F186 VanDerWaalsContact O-N 3.14Å; Q184-F186 VanDerWaalsContact C-N 3.27Å; Q184-F186 PolarHBondContact O-N 3.43Å; F186-F190 WeakPolarHBondContact O-CB 3.34Å; F186-F190 PolarHBondContact O-N 2.84Å
187	Y	93.3	Very high	91.5	Very high	8 Å²	8	15.4 Å²	15.4	3%	0.031	8%	0.079	C	C	.	.	H	α-helix	trans	-59.7	-58.6	-176.7	174	-97.6	0	0	0	113	L189 F190 V191 Q217 Y221 D224 F246 F251	Y187-L189 VanDerWaalsContact C-N 3.3Å; Y187-L189 PolarHBondContact O-N 3.44Å; Y187-F190 WeakPolarHBondContact O-CB 3.31Å; Y187-F190 PolarHBondContact O-N 3.06Å; Y187-V191 HydrophobicContact CD2-CG2 4.13Å; Y187-V191 HydrophobicContact CE1-CG2 4.21Å; Y187-V191 HydrophobicContact CE2-CG2 3.78Å; Y187-V191 WeakPolarHBondContact O-CG2 3.43Å; Y187-V191 PolarHBondContact O-N 3.01Å; Y187-Q217 VanDerWaalsContact CA-OE1 3.26Å; Y187-Y221 HydrophobicContact CD1-CD1 4.18Å; Y187-Y221 HydrophobicContact CD1-CD2 4.37Å; Y187-Y221 AromaticContact CD1-CE1 3.76Å; Y187-Y221 HydrophobicContact CD1-CE1 3.76Å; Y187-Y221 AromaticContact CD1-CE2 3.94Å; Y187-Y221 HydrophobicContact CD1-CE2 3.94Å; Y187-Y221 HydrophobicContact CD1-CG 4.47Å; Y187-Y221 AromaticContact CD1-CZ 3.61Å; Y187-Y221 AromaticContact CD2-CD1 3.81Å; Y187-Y221 HydrophobicContact CD2-CD1 3.81Å; Y187-Y221 AromaticContact CD2-CD2 3.4Å; Y187-Y221 HydrophobicContact CD2-CD2 3.4Å; Y187-Y221 VanDerWaalsContact CD2-CD2 3.4Å; Y187-Y221 HydrophobicContact CD2-CE1 4.18Å; Y187-Y221 AromaticContact CD2-CE2 3.79Å; Y187-Y221 HydrophobicContact CD2-CE2 3.79Å; Y187-Y221 AromaticContact CD2-CG 3.4Å; Y187-Y221 HydrophobicContact CD2-CG 3.4Å; Y187-Y221 VanDerWaalsContact CD2-CG 3.4Å; Y187-Y221 AromaticContact CE1-CD1 3.85Å; Y187-Y221 HydrophobicContact CE1-CD1 3.85Å; Y187-Y221 AromaticContact CE1-CE1 3.6Å; Y187-Y221 HydrophobicContact CE1-CE1 3.6Å; Y187-Y221 HydrophobicContact CE1-CG 4.44Å; Y187-Y221 AromaticContact CE1-CZ 3.97Å; Y187-Y221 AromaticContact CE2-CD1 3.42Å; Y187-Y221 HydrophobicContact CE2-CD1 3.42Å; Y187-Y221 VanDerWaalsContact CE2-CD1 3.42Å; Y187-Y221 AromaticContact CE2-CD2 3.89Å; Y187-Y221 HydrophobicContact CE2-CD2 3.89Å; Y187-Y221 HydrophobicContact CE2-CE1 4.01Å; Y187-Y221 HydrophobicContact CE2-CE2 4.4Å; Y187-Y221 AromaticContact CE2-CG 3.34Å; Y187-Y221 HydrophobicContact CE2-CG 3.34Å; Y187-Y221 HydrophobicContact CG-CD1 4.15Å; Y187-Y221 AromaticContact CG-CD2 3.66Å; Y187-Y221 HydrophobicContact CG-CD2 3.66Å; Y187-Y221 HydrophobicContact CG-CE1 4.03Å; Y187-Y221 AromaticContact CG-CE2 3.5Å; Y187-Y221 HydrophobicContact CG-CE2 3.5Å; Y187-Y221 VanDerWaalsContact CG-CE2 3.5Å; Y187-Y221 AromaticContact CG-CG 3.97Å; Y187-Y221 HydrophobicContact CG-CG 3.97Å; Y187-Y221 AromaticContact CG-CZ 3.7Å; Y187-Y221 AromaticContact CZ-CD1 3.42Å; Y187-Y221 VanDerWaalsContact CZ-CD1 3.42Å; Y187-Y221 AromaticContact CZ-CE1 3.7Å; Y187-Y221 AromaticContact CZ-CG 3.89Å; Y187-D224 HydrophobicContact CE2-CB 4.47Å; Y187-D224 WeakPolarHBondContact OH-CB 3.5Å; Y187-D224 PolarHBondContact OH-OD2 3.46Å; Y187-F246 HydrophobicContact CE1-CE2 4.46Å; Y187-F251 HydrophobicContact CD1-CE2 4.32Å; Y187-F251 HydrophobicContact CD1-CZ 4.31Å; Y187-F251 HydrophobicContact CE1-CE2 4.23Å
188	P	93.2	Very high	91.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-66.3	-34.9	-175.6	29.5	-37	0	0	0	111.5	Q184 V185 V191 H192 F251 L253 L283	Q184-P188 WeakPolarHBondContact O-CD 3.4Å; V185-P188 WeakPolarHBondContact O-CD 3.25Å; P188-V191 PolarHBondContact O-N 2.93Å; P188-H192 WeakPolarHBondContact O-CB 3.41Å; P188-H192 PolarHBondContact O-CD2 3.41Å; P188-H192 PolarHBondContact O-N 3.43Å; P188-F251 HydrophobicContact CB-CB 4.01Å; P188-F251 HydrophobicContact CB-CD1 3.6Å; P188-F251 HydrophobicContact CB-CD2 3.91Å; P188-F251 HydrophobicContact CB-CE1 3.96Å; P188-F251 HydrophobicContact CB-CE2 4.23Å; P188-F251 HydrophobicContact CB-CG 3.56Å; P188-F251 HydrophobicContact CB-CZ 4.25Å; P188-F251 HydrophobicContact CG-CD1 3.76Å; P188-F251 HydrophobicContact CG-CE1 3.87Å; P188-F251 HydrophobicContact CG-CG 4.26Å; P188-F251 HydrophobicContact CG-CZ 4.43Å; P188-L253 HydrophobicContact CG-CD1 4.23Å; P188-L253 HydrophobicContact CG-CD2 4.49Å; P188-L283 HydrophobicContact CB-CD2 3.7Å; P188-L283 HydrophobicContact CG-CD2 3.87Å
189	L	92.3	Very high	91.4	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-64.8	-44.6	175.1	-175	66	0	0	0	111.7	Y164 L167 V185 Y187 H192 M193 I275 I278 I279	Y164-L189 HydrophobicContact CD2-CD2 4.2Å; Y164-L189 HydrophobicContact CD2-CG 4.46Å; Y164-L189 HydrophobicContact CE2-CD2 4.43Å; L167-L189 HydrophobicContact CD2-CD2 3.33Å; V185-L189 HydrophobicContact CG1-CB 4.31Å; V185-L189 HydrophobicContact CG1-CD2 4.45Å; V185-L189 WeakPolarHBondContact O-CB 3.46Å; V185-L189 PolarHBondContact O-N 3.41Å; V185-L189 VanDerWaalsContact O-N 3.14Å; Y187-L189 VanDerWaalsContact C-N 3.3Å; Y187-L189 PolarHBondContact O-N 3.44Å; L189-H192 PolarHBondContact O-N 2.89Å; L189-M193 HydrophobicContact CD1-CG 4.19Å; L189-M193 HydrophobicContact CD1-SD 4.02Å; L189-M193 HydrophobicContact CD2-SD 4.36Å; L189-M193 HydrophobicContact CG-CG 4.37Å; L189-M193 HydrophobicContact CG-SD 3.83Å; L189-M193 VanDerWaalsContact O-CB 3.28Å; L189-M193 WeakPolarHBondContact O-CB 3.34Å; L189-M193 VanDerWaalsContact O-CG 3.23Å; L189-M193 WeakPolarHBondContact O-CG 3.23Å; L189-M193 PolarHBondContact O-N 3.45Å; L189-I275 HydrophobicContact CD1-CG2 4.41Å; L189-I275 HydrophobicContact CD2-CG2 4.18Å; L189-I278 HydrophobicContact CD1-CB 4.36Å; L189-I278 HydrophobicContact CD1-CG2 3.69Å; L189-I279 HydrophobicContact CD1-CG1 4.36Å
190	F	93.5	Very high	91.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-58.2	-48.3	176	170.1	-101.5	0	0	0	111.2	Y164 F186 Y187 Y194 F209 F210 F213 Q217 L225	Y164-F190 HydrophobicContact CE2-CB 4.01Å; F186-F190 WeakPolarHBondContact O-CB 3.34Å; F186-F190 PolarHBondContact O-N 2.84Å; Y187-F190 WeakPolarHBondContact O-CB 3.31Å; Y187-F190 PolarHBondContact O-N 3.06Å; F190-Y194 VanDerWaalsContact O-CB 3.26Å; F190-Y194 WeakPolarHBondContact O-CB 3.47Å; F190-Y194 PolarHBondContact O-N 2.87Å; F190-F209 HydrophobicContact CD2-CD1 4.11Å; F190-F209 AromaticContact CD2-CE1 3.31Å; F190-F209 HydrophobicContact CD2-CE1 3.31Å; F190-F209 AromaticContact CD2-CZ 3.79Å; F190-F209 HydrophobicContact CD2-CZ 3.79Å; F190-F209 AromaticContact CE2-CD1 3.84Å; F190-F209 HydrophobicContact CE2-CD1 3.84Å; F190-F209 AromaticContact CE2-CE1 3.53Å; F190-F209 HydrophobicContact CE2-CE1 3.53Å; F190-F209 HydrophobicContact CE2-CZ 4.31Å; F190-F209 HydrophobicContact CG-CE1 4.26Å; F190-F210 HydrophobicContact CE1-CD2 4.2Å; F190-F210 HydrophobicContact CE1-CE2 4.24Å; F190-F210 AromaticContact CZ-CD2 3.65Å; F190-F210 HydrophobicContact CZ-CD2 3.65Å; F190-F210 HydrophobicContact CZ-CE2 4.08Å; F190-F210 HydrophobicContact CZ-CG 4.33Å; F190-F213 HydrophobicContact CD2-CB 3.85Å; F190-F213 HydrophobicContact CE2-CB 3.74Å; F190-Q217 HydrophobicContact CD1-CG 4.32Å; F190-L225 HydrophobicContact CD1-CD2 4.32Å; F190-L225 HydrophobicContact CE1-CD2 3.63Å
191	V	92.6	Very high	91.1	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.012	9%	0.092	C	C	.	.	H	α-helix	trans	-65	-47.3	179.6	-179.7	0	0	0	0	111.1	Y187 P188 M193 Y194 L195 L228 F246	Y187-V191 HydrophobicContact CD2-CG2 4.13Å; Y187-V191 HydrophobicContact CE1-CG2 4.21Å; Y187-V191 HydrophobicContact CE2-CG2 3.78Å; Y187-V191 WeakPolarHBondContact O-CG2 3.43Å; Y187-V191 PolarHBondContact O-N 3.01Å; P188-V191 PolarHBondContact O-N 2.93Å; V191-M193 PolarHBondContact O-N 2.9Å; V191-Y194 PolarHBondContact O-N 3.27Å; V191-L195 HydrophobicContact CG1-CD1 3.81Å; V191-L195 HydrophobicContact CG1-CG 4.09Å; V191-L195 WeakPolarHBondContact O-CB 3.4Å; V191-L195 VanDerWaalsContact O-CG 3.23Å; V191-L195 WeakPolarHBondContact O-CG 3.36Å; V191-L195 PolarHBondContact O-N 2.96Å; V191-L228 HydrophobicContact CG1-CD1 4.19Å; V191-L228 HydrophobicContact CG1-CD2 4.27Å; V191-L228 HydrophobicContact CG2-CD1 3.78Å; V191-F246 HydrophobicContact CB-CE1 3.76Å; V191-F246 HydrophobicContact CB-CZ 3.96Å; V191-F246 HydrophobicContact CG1-CD1 3.82Å; V191-F246 HydrophobicContact CG1-CE1 3.31Å; V191-F246 HydrophobicContact CG1-CZ 3.81Å
192	H	91.5	Very high	91	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-62.9	-42.8	179.4	-79	-70.7	0	0	0	112.6	P188 L189 L195 E196 F246 I278 H282	P188-H192 WeakPolarHBondContact O-CB 3.41Å; P188-H192 PolarHBondContact O-CD2 3.41Å; P188-H192 PolarHBondContact O-N 3.43Å; L189-H192 PolarHBondContact O-N 2.89Å; H192-L195 PolarHBondContact O-N 3.38Å; H192-E196 WeakPolarHBondContact O-CB 3.23Å; H192-E196 PolarHBondContact O-N 3.49Å; H192-F246 AromaticContact CD2-CE1 3.74Å; H192-F246 AromaticContact CE1-CD1 3.86Å; H192-F246 AromaticContact CE1-CE1 3.67Å; H192-F246 PolarHBondContact CE1-O 3.46Å; H192-F246 VanDerWaalsContact CE1-O 3.24Å; H192-F246 AromaticContact NE2-CE1 3.44Å; H192-F246 WeakPolarHBondContact NE2-CE1 3.35Å; H192-F246 AromaticContact NE2-CZ 3.99Å; H192-I278 HydrophobicContact CB-CG2 4.28Å; H192-H282 AromaticContact CE1-CG 3.83Å; H192-H282 AromaticContact CE1-ND1 3.83Å; H192-H282 AromaticContact CG-CG 3.97Å; H192-H282 AromaticContact ND1-CG 3.54Å; H192-H282 AromaticContact ND1-ND1 3.67Å
193	M	90.5	Very high	90.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-62.6	-44.9	175.5	-74.8	-179.3	75.6	0	0	111.6	Y160 Y164 L189 V191 E196 L197 F209 I278	Y160-M193 HydrophobicContact CD1-CB 3.97Å; Y160-M193 HydrophobicContact CD1-CE 3.27Å; Y160-M193 HydrophobicContact CD1-CG 4.06Å; Y160-M193 HydrophobicContact CE1-CB 4.25Å; Y160-M193 HydrophobicContact CE1-CE 4.03Å; Y160-M193 HydrophobicContact CE1-CG 4.15Å; Y160-M193 HydrophobicContact CG-CE 3.61Å; Y160-M193 WeakPolarHBondContact O-CE 3.38Å; Y164-M193 HydrophobicContact CD2-SD 4.12Å; L189-M193 HydrophobicContact CD1-CG 4.19Å; L189-M193 HydrophobicContact CD1-SD 4.02Å; L189-M193 HydrophobicContact CD2-SD 4.36Å; L189-M193 HydrophobicContact CG-CG 4.37Å; L189-M193 HydrophobicContact CG-SD 3.83Å; L189-M193 VanDerWaalsContact O-CB 3.28Å; L189-M193 WeakPolarHBondContact O-CB 3.34Å; L189-M193 VanDerWaalsContact O-CG 3.23Å; L189-M193 WeakPolarHBondContact O-CG 3.23Å; L189-M193 PolarHBondContact O-N 3.45Å; V191-M193 PolarHBondContact O-N 2.9Å; M193-E196 PolarHBondContact O-N 3.15Å; M193-L197 WeakPolarHBondContact O-CG 3.49Å; M193-L197 PolarHBondContact O-N 3.03Å; M193-L197 VanDerWaalsContact O-N 3.1Å; M193-F209 HydrophobicContact CB-CE1 4.15Å; M193-F209 HydrophobicContact CB-CZ 4Å; M193-F209 HydrophobicContact CE-CE2 4.27Å; M193-F209 HydrophobicContact CE-CZ 4.38Å; M193-F209 HydrophobicContact SD-CZ 4.35Å; M193-I278 HydrophobicContact CG-CD1 3.85Å
194	Y	91.9	Very high	90.6	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.02	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-48.5	176.8	177.4	-102.6	0	0	0	111.9	F190 V191 E196 L197 V198 A206 F209 F210 L228 L231	F190-Y194 VanDerWaalsContact O-CB 3.26Å; F190-Y194 WeakPolarHBondContact O-CB 3.47Å; F190-Y194 PolarHBondContact O-N 2.87Å; V191-Y194 PolarHBondContact O-N 3.27Å; Y194-E196 PolarHBondContact O-N 3.29Å; Y194-L197 PolarHBondContact O-N 3.37Å; Y194-V198 HydrophobicContact CD1-CG2 4.26Å; Y194-V198 HydrophobicContact CD2-CG2 4.46Å; Y194-V198 HydrophobicContact CE1-CG2 3.84Å; Y194-V198 HydrophobicContact CE2-CG2 4.06Å; Y194-V198 WeakPolarHBondContact O-CG2 3.4Å; Y194-V198 PolarHBondContact O-N 3.32Å; Y194-A206 HydrophobicContact CD2-CB 4.17Å; Y194-A206 HydrophobicContact CE2-CB 3.9Å; Y194-A206 WeakPolarHBondContact CE2-O 3.37Å; Y194-F209 HydrophobicContact CD2-CD1 4.47Å; Y194-F210 HydrophobicContact CD2-CB 4.05Å; Y194-F210 HydrophobicContact CD2-CD2 4.15Å; Y194-F210 HydrophobicContact CE2-CB 3.74Å; Y194-F210 AromaticContact CE2-CD2 3.93Å; Y194-F210 HydrophobicContact CE2-CD2 3.93Å; Y194-F210 HydrophobicContact CE2-CG 4.17Å; Y194-L228 HydrophobicContact CD1-CD2 4.02Å; Y194-L228 HydrophobicContact CE1-CB 4.26Å; Y194-L228 HydrophobicContact CE1-CD2 4.14Å; Y194-L228 PolarHBondContact OH-O 3.12Å; Y194-L228 VanDerWaalsContact OH-O 3.14Å; Y194-L231 PolarHBondContact OH-O 2.92Å
195	L	89.7	Confident	90.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-32.5	178.3	-68.9	-179.7	0	0	0	112.1	V191 H192 Y199 L228 M237 F246 R247	V191-L195 HydrophobicContact CG1-CD1 3.81Å; V191-L195 HydrophobicContact CG1-CG 4.09Å; V191-L195 WeakPolarHBondContact O-CB 3.4Å; V191-L195 VanDerWaalsContact O-CG 3.23Å; V191-L195 WeakPolarHBondContact O-CG 3.36Å; V191-L195 PolarHBondContact O-N 2.96Å; H192-L195 PolarHBondContact O-N 3.38Å; L195-Y199 WeakPolarHBondContact O-CB 3.43Å; L195-Y199 PolarHBondContact O-N 3.26Å; L195-L228 HydrophobicContact CD2-CD2 3.99Å; L195-M237 HydrophobicContact CB-CE 4.22Å; L195-M237 HydrophobicContact CD2-CE 3.86Å; L195-M237 HydrophobicContact CD2-SD 4.4Å; L195-M237 HydrophobicContact CG-CE 4.47Å; L195-F246 HydrophobicContact CD1-CD1 3.96Å; L195-R247 VanDerWaalsContact C-NH1 3.26Å; L195-R247 HydrophobicContact CD1-CB 4.4Å; L195-R247 PolarHBondContact O-NH1 2.86Å
196	E	88.9	Confident	90.4	Very high	14 Å²	14	29.5 Å²	29.5	7%	0.065	15%	0.154	C	C	.	.	H	α-helix	trans	-67.1	-44.8	174.9	-170.5	179.8	-167.1	0	0	112.1	Y160 H192 M193 Y194 Y199 N200 R247	Y160-E196 WeakPolarHBondContact CE1-OE2 3.28Å; Y160-E196 PolarHBondContact OH-OE1 3.03Å; Y160-E196 PolarHBondContact OH-OE2 3.12Å; H192-E196 WeakPolarHBondContact O-CB 3.23Å; H192-E196 PolarHBondContact O-N 3.49Å; M193-E196 PolarHBondContact O-N 3.15Å; Y194-E196 PolarHBondContact O-N 3.29Å; E196-Y199 PolarHBondContact O-N 2.94Å; E196-N200 WeakPolarHBondContact O-CB 3.38Å; E196-N200 VanDerWaalsContact O-CG 3.31Å; E196-N200 PolarHBondContact O-N 2.9Å; E196-N200 PolarHBondContact O-ND2 3.32Å; E196-R247 VanDerWaalsContact N-NH1 3.1Å
197	L	89.6	Confident	90.3	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-45.9	175.1	-66.6	170.2	0	0	0	111.5	P157 Y160 M193 Y194 N200 N201 H202 A206 F209	P157-L197 HydrophobicContact CB-CD2 3.81Å; Y160-L197 HydrophobicContact CD1-CD1 4.23Å; Y160-L197 HydrophobicContact CD1-CD2 4.18Å; Y160-L197 HydrophobicContact CD1-CG 4.12Å; Y160-L197 HydrophobicContact CG-CD2 4.28Å; M193-L197 WeakPolarHBondContact O-CG 3.49Å; M193-L197 PolarHBondContact O-N 3.03Å; M193-L197 VanDerWaalsContact O-N 3.1Å; Y194-L197 PolarHBondContact O-N 3.37Å; L197-N200 PolarHBondContact O-N 3.47Å; L197-N201 PolarHBondContact O-N 2.92Å; L197-H202 HydrophobicContact CB-CB 4.44Å; L197-H202 HydrophobicContact CD2-CB 4.29Å; L197-H202 PolarHBondContact O-N 3.31Å; L197-A206 HydrophobicContact CB-CB 3.82Å; L197-F209 HydrophobicContact CD1-CB 4.2Å; L197-F209 HydrophobicContact CD1-CG 4.28Å
198	V	89.8	Confident	90.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-64	-42.6	177.4	175.4	0	0	0	0	111.3	Y194 N200 N201 A206 M237	Y194-V198 HydrophobicContact CD1-CG2 4.26Å; Y194-V198 HydrophobicContact CD2-CG2 4.46Å; Y194-V198 HydrophobicContact CE1-CG2 3.84Å; Y194-V198 HydrophobicContact CE2-CG2 4.06Å; Y194-V198 WeakPolarHBondContact O-CG2 3.4Å; Y194-V198 PolarHBondContact O-N 3.32Å; V198-N200 VanDerWaalsContact C-N 3.3Å; V198-N200 PolarHBondContact O-N 2.85Å; V198-N201 PolarHBondContact O-N 3.1Å; V198-N201 VanDerWaalsContact O-N 3.13Å; V198-A206 HydrophobicContact CG2-CB 3.85Å; V198-M237 HydrophobicContact CB-SD 4.21Å; V198-M237 HydrophobicContact CG1-CG 4.17Å; V198-M237 HydrophobicContact CG1-SD 3.75Å
199	Y	87.1	Confident	90.2	Very high	92 Å²	92	35.5 Å²	35.5	36%	0.361	19%	0.188	S	C	.	.	H	α-helix	trans	-66.4	-32.9	-179.3	-172.8	-91.2	0	0	0	113.2	L195 E196 N201 K234 M237	L195-Y199 WeakPolarHBondContact O-CB 3.43Å; L195-Y199 PolarHBondContact O-N 3.26Å; E196-Y199 PolarHBondContact O-N 2.94Å; Y199-N201 VanDerWaalsContact C-N 3.26Å; Y199-K234 PolarHBondContact O-NZ 2.85Å; Y199-M237 HydrophobicContact CD2-CE 4.46Å; Y199-M237 HydrophobicContact CD2-SD 4.46Å
200	N	88.2	Confident	90.3	Very high	67 Å²	67	36.8 Å²	36.8	36%	0.358	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	4.6	176.5	-69	-20.9	0	0	0	113.2	E196 L197 V198	E196-N200 WeakPolarHBondContact O-CB 3.38Å; E196-N200 VanDerWaalsContact O-CG 3.31Å; E196-N200 PolarHBondContact O-N 2.9Å; E196-N200 PolarHBondContact O-ND2 3.32Å; L197-N200 PolarHBondContact O-N 3.47Å; V198-N200 VanDerWaalsContact C-N 3.3Å; V198-N200 PolarHBondContact O-N 2.85Å
201	N	88.1	Confident	90.2	Very high	114 Å²	114	43 Å²	43	61%	0.61	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.5	28.9	179.8	-53	-44.8	0	0	0	115	L197 V198 Y199 E203	L197-N201 PolarHBondContact O-N 2.92Å; V198-N201 PolarHBondContact O-N 3.1Å; V198-N201 VanDerWaalsContact O-N 3.13Å; Y199-N201 VanDerWaalsContact C-N 3.26Å; N201-E203 PolarHBondContact O-N 3.46Å
202	H	89.4	Confident	90.2	Very high	56 Å²	56	47.9 Å²	47.9	26%	0.259	24%	0.243	S	C	.	.			trans	-91	69	173	-62.1	-60	0	0	0	110.6	P157 L197 E205 A206	P157-H202 WeakPolarHBondContact CG-NE2 3.39Å; L197-H202 HydrophobicContact CB-CB 4.44Å; L197-H202 HydrophobicContact CD2-CB 4.29Å; L197-H202 PolarHBondContact O-N 3.31Å; H202-E205 HydrophobicContact CB-CB 4.31Å; H202-E205 WeakPolarHBondContact CB-OE2 3.23Å; H202-A206 WeakPolarHBondContact O-CB 3.46Å; H202-A206 PolarHBondContact O-N 3.46Å
203	E	88.3	Confident	90.3	Very high	92 Å²	92	48.2 Å²	48.2	43%	0.43	25%	0.245	S	C	.	.	H	α-helix	trans	-66.2	-40.3	-172.4	-176.5	171.9	-162.3	0	0	113	N201 K207 T232	N201-E203 PolarHBondContact O-N 3.46Å; E203-K207 WeakPolarHBondContact O-CB 3.25Å; E203-K207 PolarHBondContact O-N 2.94Å; E203-T232 WeakPolarHBondContact OE1-CB 3.48Å; E203-T232 PolarHBondContact OE1-OG1 3.43Å
204	G	88.6	Confident	90.3	Very high	51 Å²	51	49.8 Å²	49.8	53%	0.526	26%	0.256	S	S	.	.	H	α-helix	trans	-66.1	-46	-179	0	0	0	0	0	112.1	K207 A208	G204-K207 PolarHBondContact O-N 3.47Å; G204-A208 PolarHBondContact O-N 2.94Å; G204-A208 VanDerWaalsContact O-N 3.07Å
205	E	88.9	Confident	90.3	Very high	80 Å²	80	53.1 Å²	53.1	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-68.3	-41.8	177.9	-60.5	82.9	173.4	0	0	111.3	P157 H202 K207 A208 F209	P157-E205 HydrophobicContact CB-CG 4.31Å; H202-E205 HydrophobicContact CB-CB 4.31Å; H202-E205 WeakPolarHBondContact CB-OE2 3.23Å; E205-K207 VanDerWaalsContact C-N 3.33Å; E205-K207 PolarHBondContact O-N 2.96Å; E205-A208 PolarHBondContact O-N 2.86Å; E205-F209 VanDerWaalsContact O-CB 3.25Å; E205-F209 WeakPolarHBondContact O-CB 3.48Å; E205-F209 PolarHBondContact O-N 3.4Å
206	A	90.4	Very high	90.3	Very high	2 Å²	2	56.5 Å²	56.5	2%	0.017	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-43.3	175.7	0	0	0	0	0	111.8	Y194 L197 V198 H202 F209 F210	Y194-A206 HydrophobicContact CD2-CB 4.17Å; Y194-A206 HydrophobicContact CE2-CB 3.9Å; Y194-A206 WeakPolarHBondContact CE2-O 3.37Å; L197-A206 HydrophobicContact CB-CB 3.82Å; V198-A206 HydrophobicContact CG2-CB 3.85Å; H202-A206 WeakPolarHBondContact O-CB 3.46Å; H202-A206 PolarHBondContact O-N 3.46Å; A206-F209 PolarHBondContact O-N 2.87Å; A206-F210 WeakPolarHBondContact O-CB 3.33Å; A206-F210 PolarHBondContact O-N 3.36Å
207	K	91.4	Very high	90.4	Very high	121 Å²	121	56.9 Å²	56.9	53%	0.526	31%	0.312	S	S	.	.	H	α-helix	trans	-65.5	-46.3	178.2	-176.5	176.3	174.7	177.7	0	111.9	E203 G204 E205 F209 F210 E211	E203-K207 WeakPolarHBondContact O-CB 3.25Å; E203-K207 PolarHBondContact O-N 2.94Å; G204-K207 PolarHBondContact O-N 3.47Å; E205-K207 VanDerWaalsContact C-N 3.33Å; E205-K207 PolarHBondContact O-N 2.96Å; K207-F209 VanDerWaalsContact C-N 3.32Å; K207-F209 PolarHBondContact O-N 3.41Å; K207-F210 PolarHBondContact O-N 3.19Å; K207-E211 WeakPolarHBondContact CE-OE1 3.37Å; K207-E211 IonicContact NZ-OE1 3.73Å; K207-E211 WeakPolarHBondContact O-CG 3.4Å; K207-E211 PolarHBondContact O-N 3.45Å
208	A	91.6	Very high	90.4	Very high	41 Å²	41	59.4 Å²	59.4	34%	0.339	32%	0.323	S	S	.	.	H	α-helix	trans	-60.5	-42.9	176.6	0	0	0	0	0	111.7	G204 E205 K212	G204-A208 PolarHBondContact O-N 2.94Å; G204-A208 VanDerWaalsContact O-N 3.07Å; E205-A208 PolarHBondContact O-N 2.86Å; A208-K212 VanDerWaalsContact O-CB 3.31Å; A208-K212 WeakPolarHBondContact O-CB 3.31Å; A208-K212 PolarHBondContact O-N 3.04Å
209	F	92.4	Very high	90.4	Very high	1 Å²	1	64.4 Å²	64.4	0%	0.004	36%	0.357	C	S	.	.	H	α-helix	trans	-61.5	-44.2	175.2	-177.7	-98.9	0	0	0	112	E161 Y164 F190 M193 Y194 L197 E205 A206 K207 K212 F213	E161-F209 HydrophobicContact CG-CD2 4.07Å; Y164-F209 HydrophobicContact CD2-CZ 4.18Å; Y164-F209 HydrophobicContact CG-CE2 4.12Å; Y164-F209 HydrophobicContact CG-CZ 4.18Å; F190-F209 HydrophobicContact CD2-CD1 4.11Å; F190-F209 AromaticContact CD2-CE1 3.31Å; F190-F209 HydrophobicContact CD2-CE1 3.31Å; F190-F209 AromaticContact CD2-CZ 3.79Å; F190-F209 HydrophobicContact CD2-CZ 3.79Å; F190-F209 AromaticContact CE2-CD1 3.84Å; F190-F209 HydrophobicContact CE2-CD1 3.84Å; F190-F209 AromaticContact CE2-CE1 3.53Å; F190-F209 HydrophobicContact CE2-CE1 3.53Å; F190-F209 HydrophobicContact CE2-CZ 4.31Å; F190-F209 HydrophobicContact CG-CE1 4.26Å; M193-F209 HydrophobicContact CB-CE1 4.15Å; M193-F209 HydrophobicContact CB-CZ 4Å; M193-F209 HydrophobicContact CE-CE2 4.27Å; M193-F209 HydrophobicContact CE-CZ 4.38Å; M193-F209 HydrophobicContact SD-CZ 4.35Å; Y194-F209 HydrophobicContact CD2-CD1 4.47Å; L197-F209 HydrophobicContact CD1-CB 4.2Å; L197-F209 HydrophobicContact CD1-CG 4.28Å; E205-F209 VanDerWaalsContact O-CB 3.25Å; E205-F209 WeakPolarHBondContact O-CB 3.48Å; E205-F209 PolarHBondContact O-N 3.4Å; A206-F209 PolarHBondContact O-N 2.87Å; K207-F209 VanDerWaalsContact C-N 3.32Å; K207-F209 PolarHBondContact O-N 3.41Å; F209-K212 PolarHBondContact O-N 3.49Å; F209-F213 AromaticContact CD2-CD2 3.66Å; F209-F213 HydrophobicContact CD2-CD2 3.66Å; F209-F213 AromaticContact CD2-CE2 3.72Å; F209-F213 HydrophobicContact CD2-CE2 3.72Å; F209-F213 AromaticContact CE2-CD2 3.6Å; F209-F213 HydrophobicContact CE2-CD2 3.6Å; F209-F213 AromaticContact CE2-CE2 3.72Å; F209-F213 HydrophobicContact CE2-CE2 3.72Å; F209-F213 HydrophobicContact CG-CD2 4.23Å; F209-F213 HydrophobicContact CZ-CD2 4.13Å; F209-F213 WeakPolarHBondContact O-CD2 3.35Å; F209-F213 PolarHBondContact O-N 3.36Å
210	F	93.8	Very high	90.5	Very high	27 Å²	27	62.1 Å²	62.1	12%	0.118	35%	0.348	C	S	.	.	H	α-helix	trans	-65.4	-49.2	179.4	-172.2	-87.8	0	0	0	112.2	F190 Y194 A206 K207 K212 F213 S214 L225 L228	F190-F210 HydrophobicContact CE1-CD2 4.2Å; F190-F210 HydrophobicContact CE1-CE2 4.24Å; F190-F210 AromaticContact CZ-CD2 3.65Å; F190-F210 HydrophobicContact CZ-CD2 3.65Å; F190-F210 HydrophobicContact CZ-CE2 4.08Å; F190-F210 HydrophobicContact CZ-CG 4.33Å; Y194-F210 HydrophobicContact CD2-CB 4.05Å; Y194-F210 HydrophobicContact CD2-CD2 4.15Å; Y194-F210 HydrophobicContact CE2-CB 3.74Å; Y194-F210 AromaticContact CE2-CD2 3.93Å; Y194-F210 HydrophobicContact CE2-CD2 3.93Å; Y194-F210 HydrophobicContact CE2-CG 4.17Å; A206-F210 WeakPolarHBondContact O-CB 3.33Å; A206-F210 PolarHBondContact O-N 3.36Å; K207-F210 PolarHBondContact O-N 3.19Å; F210-K212 PolarHBondContact O-N 3.4Å; F210-F213 PolarHBondContact O-N 3.32Å; F210-S214 WeakPolarHBondContact O-CB 2.89Å; F210-S214 PolarHBondContact O-N 3.25Å; F210-S214 PolarHBondContact O-OG 3.13Å; F210-L225 HydrophobicContact CE2-CD2 4.28Å; F210-L225 HydrophobicContact CZ-CB 4.42Å; F210-L225 WeakPolarHBondContact CZ-O 3.5Å; F210-L228 HydrophobicContact CE2-CB 3.85Å
211	E	92.1	Very high	90.7	Very high	131 Å²	131	59.5 Å²	59.5	61%	0.612	33%	0.334	S	S	*	.	H	α-helix	trans	-61.3	-30.6	-179.8	-73	179.1	179.6	0	0	112.5	K207	K207-E211 WeakPolarHBondContact CE-OE1 3.37Å; K207-E211 IonicContact NZ-OE1 3.73Å; K207-E211 WeakPolarHBondContact O-CG 3.4Å; K207-E211 PolarHBondContact O-N 3.45Å
212	K	93.2	Very high	90.7	Very high	105 Å²	105	59.7 Å²	59.7	46%	0.457	33%	0.331	S	S	.	.	H	α-helix	trans	-79.3	-35.7	-178	-173.1	170.4	177.1	173.2	0	114.3	E161 A208 F209 F210	E161-K212 IonicContact OE2-NZ 3.39Å; E161-K212 PolarHBondContact OE2-NZ 3.31Å; A208-K212 VanDerWaalsContact O-CB 3.31Å; A208-K212 WeakPolarHBondContact O-CB 3.31Å; A208-K212 PolarHBondContact O-N 3.04Å; F209-K212 PolarHBondContact O-N 3.49Å; F210-K212 PolarHBondContact O-N 3.4Å
213	F	93.4	Very high	90.6	Very high	7 Å²	7	61.5 Å²	61.5	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-119.2	-2.3	-170.8	-58.7	-64.7	0	0	0	114.9	E161 Y164 S165 F190 F209 F210 G215 D216 Q217	E161-F213 HydrophobicContact CB-CE2 4.4Å; E161-F213 HydrophobicContact CG-CE2 4.39Å; Y164-F213 HydrophobicContact CD1-CB 4.41Å; Y164-F213 AromaticContact CD1-CD1 3.49Å; Y164-F213 HydrophobicContact CD1-CD1 3.49Å; Y164-F213 VanDerWaalsContact CD1-CD1 3.49Å; Y164-F213 AromaticContact CD1-CD2 3.82Å; Y164-F213 HydrophobicContact CD1-CD2 3.82Å; Y164-F213 AromaticContact CD1-CE1 3.54Å; Y164-F213 HydrophobicContact CD1-CE1 3.54Å; Y164-F213 AromaticContact CD1-CE2 3.87Å; Y164-F213 HydrophobicContact CD1-CE2 3.87Å; Y164-F213 AromaticContact CD1-CG 3.64Å; Y164-F213 HydrophobicContact CD1-CG 3.64Å; Y164-F213 AromaticContact CD1-CZ 3.73Å; Y164-F213 HydrophobicContact CD1-CZ 3.73Å; Y164-F213 HydrophobicContact CE1-CB 3.95Å; Y164-F213 AromaticContact CE1-CD1 3.47Å; Y164-F213 HydrophobicContact CE1-CD1 3.47Å; Y164-F213 VanDerWaalsContact CE1-CD1 3.47Å; Y164-F213 HydrophobicContact CE1-CD2 4.23Å; Y164-F213 AromaticContact CE1-CE1 3.97Å; Y164-F213 HydrophobicContact CE1-CE1 3.97Å; Y164-F213 AromaticContact CE1-CG 3.62Å; Y164-F213 HydrophobicContact CE1-CG 3.62Å; Y164-F213 HydrophobicContact CG-CE2 4.46Å; S165-F213 WeakPolarHBondContact OG-CZ 3.33Å; F190-F213 HydrophobicContact CD2-CB 3.85Å; F190-F213 HydrophobicContact CE2-CB 3.74Å; F209-F213 AromaticContact CD2-CD2 3.66Å; F209-F213 HydrophobicContact CD2-CD2 3.66Å; F209-F213 AromaticContact CD2-CE2 3.72Å; F209-F213 HydrophobicContact CD2-CE2 3.72Å; F209-F213 AromaticContact CE2-CD2 3.6Å; F209-F213 HydrophobicContact CE2-CD2 3.6Å; F209-F213 AromaticContact CE2-CE2 3.72Å; F209-F213 HydrophobicContact CE2-CE2 3.72Å; F209-F213 HydrophobicContact CG-CD2 4.23Å; F209-F213 HydrophobicContact CZ-CD2 4.13Å; F209-F213 WeakPolarHBondContact O-CD2 3.35Å; F209-F213 PolarHBondContact O-N 3.36Å; F210-F213 PolarHBondContact O-N 3.32Å; F213-G215 VanDerWaalsContact C-N 3.34Å; F213-G215 PolarHBondContact O-N 2.69Å; F213-D216 WeakPolarHBondContact CD1-OD2 3.31Å; F213-D216 PolarHBondContact O-N 3.09Å; F213-Q217 PolarHBondContact O-NE2 3.47Å
214	S	90.6	Very high	90.7	Very high	35 Å²	35	58 Å²	58	25%	0.245	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-63.3	-37.8	178.1	59.1	0	0	0	0	112.8	F210 D216	F210-S214 WeakPolarHBondContact O-CB 2.89Å; F210-S214 PolarHBondContact O-N 3.25Å; F210-S214 PolarHBondContact O-OG 3.13Å; S214-D216 VanDerWaalsContact C-N 3.26Å; S214-D216 PolarHBondContact O-N 2.98Å
215	G	90.4	Very high	90.8	Very high	75 Å²	75	56.7 Å²	56.7	77%	0.773	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-75.3	-8.6	178.8	0	0	0	0	0	115.2	F213	F213-G215 VanDerWaalsContact C-N 3.34Å; F213-G215 PolarHBondContact O-N 2.69Å
216	D	89.8	Confident	90.9	Very high	70 Å²	70	60.1 Å²	60.1	37%	0.374	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-86	-11	178.2	-69.4	-40	0	0	0	113.1	K168 F213 S214	K168-D216 IonicContact NZ-OD1 2.79Å; K168-D216 PolarHBondContact NZ-OD1 3.44Å; K168-D216 IonicContact NZ-OD2 3.9Å; K168-D216 PolarHBondContact NZ-OD2 2.91Å; F213-D216 WeakPolarHBondContact CD1-OD2 3.31Å; F213-D216 PolarHBondContact O-N 3.09Å; S214-D216 VanDerWaalsContact C-N 3.26Å; S214-D216 PolarHBondContact O-N 2.98Å
217	Q	91.5	Very high	90.8	Very high	22 Å²	22	63.3 Å²	63.3	10%	0.103	33%	0.33	C	S	.	.	S	Bend	trans	-79.5	158	-176.4	-52	-54.7	-37.8	0	0	111.2	Y164 Y187 F190 F213 L225	Y164-Q217 PolarHBondContact OH-NE2 2.87Å; Y164-Q217 VanDerWaalsContact OH-NE2 3.09Å; Y187-Q217 VanDerWaalsContact CA-OE1 3.26Å; F190-Q217 HydrophobicContact CD1-CG 4.32Å; F213-Q217 PolarHBondContact O-NE2 3.47Å; Q217-L225 HydrophobicContact CB-CD1 3.99Å; Q217-L225 HydrophobicContact CG-CD1 4.23Å; Q217-L225 HydrophobicContact CG-CD2 4.28Å
218	E	89.9	Confident	90.7	Very high	58 Å²	58	57.7 Å²	57.7	27%	0.271	31%	0.306	S	S	.	.			trans	-64.4	144.6	176.9	-62.5	-73.7	177.3	0	0	111	Y220 Y221 K295	E218-Y220 HydrophobicContact CB-CD1 3.97Å; E218-Y220 HydrophobicContact CB-CD2 4.44Å; E218-Y220 HydrophobicContact CB-CE1 3.46Å; E218-Y220 VanDerWaalsContact CB-CE1 3.46Å; E218-Y220 HydrophobicContact CB-CE2 4.02Å; E218-Y220 HydrophobicContact CB-CG 4.43Å; E218-Y220 VanDerWaalsContact CB-CZ 3.48Å; E218-Y220 HydrophobicContact CG-CE1 4.01Å; E218-Y220 PolarHBondContact O-N 3.46Å; E218-Y220 VanDerWaalsContact O-N 3.12Å; E218-Y221 HydrophobicContact CB-CD2 4.17Å; E218-Y221 HydrophobicContact CB-CE2 4.45Å; E218-Y221 PolarHBondContact O-N 3.2Å; E218-Y221 VanDerWaalsContact O-N 3.1Å; E218-K295 IonicContact OE1-NZ 2.75Å; E218-K295 PolarHBondContact OE1-NZ 3.4Å; E218-K295 IonicContact OE2-NZ 3.46Å; E218-K295 PolarHBondContact OE2-NZ 2.75Å
219	C	89.3	Confident	90.6	Very high	106 Å²	106	58.7 Å²	58.7	72%	0.716	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-60.8	-27.6	-170.7	58.2	0	0	0	0	114.1	Y221 E222	C219-Y221 PolarHBondContact O-N 3.4Å; C219-E222 WeakPolarHBondContact O-CB 3.48Å; C219-E222 PolarHBondContact O-N 2.95Å
220	Y	89	Confident	90.4	Very high	43 Å²	43	62.1 Å²	62.1	17%	0.169	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-73.3	-4	-179.7	50.8	-101.9	0	0	0	114.3	E218 S302 K615	E218-Y220 HydrophobicContact CB-CD1 3.97Å; E218-Y220 HydrophobicContact CB-CD2 4.44Å; E218-Y220 HydrophobicContact CB-CE1 3.46Å; E218-Y220 VanDerWaalsContact CB-CE1 3.46Å; E218-Y220 HydrophobicContact CB-CE2 4.02Å; E218-Y220 HydrophobicContact CB-CG 4.43Å; E218-Y220 VanDerWaalsContact CB-CZ 3.48Å; E218-Y220 HydrophobicContact CG-CE1 4.01Å; E218-Y220 PolarHBondContact O-N 3.46Å; E218-Y220 VanDerWaalsContact O-N 3.12Å; Y220-S302 PolarHBondContact OH-OG 2.89Å; Y220-K615 HydrophobicContact CD1-CD 4.27Å; Y220-K615 HydrophobicContact CD2-CD 3.67Å; Y220-K615 HydrophobicContact CE2-CD 4.25Å; Y220-K615 HydrophobicContact CG-CD 3.66Å; Y220-K615 HydrophobicContact CG-CG 4.23Å
221	Y	91.9	Very high	90	Very high	13 Å²	13	61.2 Å²	61.2	5%	0.051	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-97.9	7.3	172.2	-65.6	-59.8	0	0	0	113.6	Y187 E218 C219 E223 D224 L225	Y187-Y221 HydrophobicContact CD1-CD1 4.18Å; Y187-Y221 HydrophobicContact CD1-CD2 4.37Å; Y187-Y221 AromaticContact CD1-CE1 3.76Å; Y187-Y221 HydrophobicContact CD1-CE1 3.76Å; Y187-Y221 AromaticContact CD1-CE2 3.94Å; Y187-Y221 HydrophobicContact CD1-CE2 3.94Å; Y187-Y221 HydrophobicContact CD1-CG 4.47Å; Y187-Y221 AromaticContact CD1-CZ 3.61Å; Y187-Y221 AromaticContact CD2-CD1 3.81Å; Y187-Y221 HydrophobicContact CD2-CD1 3.81Å; Y187-Y221 AromaticContact CD2-CD2 3.4Å; Y187-Y221 HydrophobicContact CD2-CD2 3.4Å; Y187-Y221 VanDerWaalsContact CD2-CD2 3.4Å; Y187-Y221 HydrophobicContact CD2-CE1 4.18Å; Y187-Y221 AromaticContact CD2-CE2 3.79Å; Y187-Y221 HydrophobicContact CD2-CE2 3.79Å; Y187-Y221 AromaticContact CD2-CG 3.4Å; Y187-Y221 HydrophobicContact CD2-CG 3.4Å; Y187-Y221 VanDerWaalsContact CD2-CG 3.4Å; Y187-Y221 AromaticContact CE1-CD1 3.85Å; Y187-Y221 HydrophobicContact CE1-CD1 3.85Å; Y187-Y221 AromaticContact CE1-CE1 3.6Å; Y187-Y221 HydrophobicContact CE1-CE1 3.6Å; Y187-Y221 HydrophobicContact CE1-CG 4.44Å; Y187-Y221 AromaticContact CE1-CZ 3.97Å; Y187-Y221 AromaticContact CE2-CD1 3.42Å; Y187-Y221 HydrophobicContact CE2-CD1 3.42Å; Y187-Y221 VanDerWaalsContact CE2-CD1 3.42Å; Y187-Y221 AromaticContact CE2-CD2 3.89Å; Y187-Y221 HydrophobicContact CE2-CD2 3.89Å; Y187-Y221 HydrophobicContact CE2-CE1 4.01Å; Y187-Y221 HydrophobicContact CE2-CE2 4.4Å; Y187-Y221 AromaticContact CE2-CG 3.34Å; Y187-Y221 HydrophobicContact CE2-CG 3.34Å; Y187-Y221 HydrophobicContact CG-CD1 4.15Å; Y187-Y221 AromaticContact CG-CD2 3.66Å; Y187-Y221 HydrophobicContact CG-CD2 3.66Å; Y187-Y221 HydrophobicContact CG-CE1 4.03Å; Y187-Y221 AromaticContact CG-CE2 3.5Å; Y187-Y221 HydrophobicContact CG-CE2 3.5Å; Y187-Y221 VanDerWaalsContact CG-CE2 3.5Å; Y187-Y221 AromaticContact CG-CG 3.97Å; Y187-Y221 HydrophobicContact CG-CG 3.97Å; Y187-Y221 AromaticContact CG-CZ 3.7Å; Y187-Y221 AromaticContact CZ-CD1 3.42Å; Y187-Y221 VanDerWaalsContact CZ-CD1 3.42Å; Y187-Y221 AromaticContact CZ-CE1 3.7Å; Y187-Y221 AromaticContact CZ-CG 3.89Å; E218-Y221 HydrophobicContact CB-CD2 4.17Å; E218-Y221 HydrophobicContact CB-CE2 4.45Å; E218-Y221 PolarHBondContact O-N 3.2Å; E218-Y221 VanDerWaalsContact O-N 3.1Å; C219-Y221 PolarHBondContact O-N 3.4Å; Y221-E223 VanDerWaalsContact C-N 3.27Å; Y221-E223 PolarHBondContact O-N 2.71Å; Y221-D224 WeakPolarHBondContact CD1-OD2 3.24Å; Y221-D224 PolarHBondContact O-N 2.99Å; Y221-D224 VanDerWaalsContact O-N 3.08Å; Y221-L225 WeakPolarHBondContact O-CG 3.45Å; Y221-L225 PolarHBondContact O-N 2.88Å
222	E	89.3	Confident	89.7	Confident	117 Å²	117	57.1 Å²	57.1	55%	0.547	31%	0.314	S	S	.	.	H	α-helix	trans	-56.1	-39.4	-175.1	-166.2	-166	144	0	0	113.1	C219 L225 R226	C219-E222 WeakPolarHBondContact O-CB 3.48Å; C219-E222 PolarHBondContact O-N 2.95Å; E222-L225 PolarHBondContact O-N 2.81Å; E222-R226 WeakPolarHBondContact O-CB 3.46Å; E222-R226 PolarHBondContact O-N 3.25Å; E222-R226 IonicContact OE1-CZ 3.25Å; E222-R226 IonicContact OE1-NH2 3.98Å; E222-R226 PolarHBondContact OE1-NH2 3.47Å
223	E	87.9	Confident	89.4	Confident	95 Å²	95	57 Å²	57	44%	0.444	31%	0.314	S	S	.	.	H	α-helix	trans	-64.2	-43	178	-172	176.7	-154.8	0	0	111.8	Y221 L225 R226 I227 R595	Y221-E223 VanDerWaalsContact C-N 3.27Å; Y221-E223 PolarHBondContact O-N 2.71Å; E223-L225 VanDerWaalsContact C-N 3.34Å; E223-L225 PolarHBondContact O-N 3.34Å; E223-R226 WeakPolarHBondContact O-CB 3.1Å; E223-R226 PolarHBondContact O-N 3.03Å; E223-I227 WeakPolarHBondContact O-CG1 3.46Å; E223-I227 PolarHBondContact O-N 3.46Å; E223-R595 IonicContact OE2-NH2 3.71Å
224	D	89.6	Confident	89	Confident	19 Å²	19	59.3 Å²	59.3	10%	0.102	32%	0.324	C	S	.	.	H	α-helix	trans	-66.2	-40.4	177.7	-55.3	-24	0	0	0	110.6	Y187 Y221 R226 I227 L228 R595	Y187-D224 HydrophobicContact CE2-CB 4.47Å; Y187-D224 WeakPolarHBondContact OH-CB 3.5Å; Y187-D224 PolarHBondContact OH-OD2 3.46Å; Y221-D224 WeakPolarHBondContact CD1-OD2 3.24Å; Y221-D224 PolarHBondContact O-N 2.99Å; Y221-D224 VanDerWaalsContact O-N 3.08Å; D224-R226 VanDerWaalsContact C-N 3.29Å; D224-R226 PolarHBondContact O-N 3.26Å; D224-I227 PolarHBondContact O-N 3.5Å; D224-L228 WeakPolarHBondContact O-CB 3.44Å; D224-L228 VanDerWaalsContact O-CG 3.26Å; D224-L228 WeakPolarHBondContact O-CG 3.09Å; D224-L228 PolarHBondContact O-N 3.07Å; D224-R595 IonicContact OD1-CZ 2.76Å; D224-R595 IonicContact OD1-NH1 2.81Å; D224-R595 PolarHBondContact OD1-NH1 3.16Å; D224-R595 IonicContact OD1-NH2 3.92Å; D224-R595 PolarHBondContact OD1-NH2 2.78Å; D224-R595 IonicContact OD2-CZ 2.66Å; D224-R595 IonicContact OD2-NH1 3.67Å; D224-R595 PolarHBondContact OD2-NH1 3.04Å; D224-R595 IonicContact OD2-NH2 3.7Å; D224-R595 PolarHBondContact OD2-NH2 3.04Å
225	L	90.8	Very high	88.8	Confident	22 Å²	22	64.6 Å²	64.6	12%	0.115	35%	0.345	C	S	.	.	H	α-helix	trans	-63.2	-37	174.8	-65.9	173.5	0	0	0	111.5	F190 F210 Q217 Y221 E222 E223 L228 S229	F190-L225 HydrophobicContact CD1-CD2 4.32Å; F190-L225 HydrophobicContact CE1-CD2 3.63Å; F210-L225 HydrophobicContact CE2-CD2 4.28Å; F210-L225 HydrophobicContact CZ-CB 4.42Å; F210-L225 WeakPolarHBondContact CZ-O 3.5Å; Q217-L225 HydrophobicContact CB-CD1 3.99Å; Q217-L225 HydrophobicContact CG-CD1 4.23Å; Q217-L225 HydrophobicContact CG-CD2 4.28Å; Y221-L225 WeakPolarHBondContact O-CG 3.45Å; Y221-L225 PolarHBondContact O-N 2.88Å; E222-L225 PolarHBondContact O-N 2.81Å; E223-L225 VanDerWaalsContact C-N 3.34Å; E223-L225 PolarHBondContact O-N 3.34Å; L225-L228 HydrophobicContact CD2-CD1 4.37Å; L225-L228 PolarHBondContact O-N 3.36Å; L225-S229 WeakPolarHBondContact O-CB 3.45Å; L225-S229 PolarHBondContact O-N 2.69Å
226	R	90.8	Very high	88.6	Confident	153 Å²	153	64.8 Å²	64.8	58%	0.577	33%	0.325	S	S	*	.	H	α-helix	trans	-64.1	-43	174.5	-165	-179.4	-62.8	154	1.4	110.9	E222 E223 D224 S229	E222-R226 WeakPolarHBondContact O-CB 3.46Å; E222-R226 PolarHBondContact O-N 3.25Å; E222-R226 IonicContact OE1-CZ 3.25Å; E222-R226 IonicContact OE1-NH2 3.98Å; E222-R226 PolarHBondContact OE1-NH2 3.47Å; E223-R226 WeakPolarHBondContact O-CB 3.1Å; E223-R226 PolarHBondContact O-N 3.03Å; D224-R226 VanDerWaalsContact C-N 3.29Å; D224-R226 PolarHBondContact O-N 3.26Å; R226-S229 PolarHBondContact O-N 3.44Å; R226-S229 PolarHBondContact O-OG 2.89Å
227	I	88.4	Confident	88.1	Confident	69 Å²	69	61.5 Å²	61.5	35%	0.354	31%	0.308	S	S	.	.	H	α-helix	trans	-62	-48.9	173.5	-64.6	166.9	0	0	0	110.1	E223 D224 S229 S230 L231 L243	E223-I227 WeakPolarHBondContact O-CG1 3.46Å; E223-I227 PolarHBondContact O-N 3.46Å; D224-I227 PolarHBondContact O-N 3.5Å; I227-S229 VanDerWaalsContact C-N 3.28Å; I227-S229 PolarHBondContact O-N 2.8Å; I227-S230 WeakPolarHBondContact O-CB 3.39Å; I227-S230 PolarHBondContact O-N 3.39Å; I227-S230 VanDerWaalsContact O-N 3.08Å; I227-S230 PolarHBondContact O-OG 3.43Å; I227-L231 HydrophobicContact CG2-CD1 4.17Å; I227-L231 WeakPolarHBondContact O-CG 3.41Å; I227-L243 HydrophobicContact CG2-CD1 4.4Å
228	L	89.1	Confident	87.6	Confident	3 Å²	3	69.4 Å²	69.4	2%	0.016	34%	0.337	C	S	.	.	H	α-helix	trans	-59.9	-36.2	178.6	-71.4	165.7	0	0	0	112.7	V191 Y194 L195 F210 D224 L225 S230 L231 L243	V191-L228 HydrophobicContact CG1-CD1 4.19Å; V191-L228 HydrophobicContact CG1-CD2 4.27Å; V191-L228 HydrophobicContact CG2-CD1 3.78Å; Y194-L228 HydrophobicContact CD1-CD2 4.02Å; Y194-L228 HydrophobicContact CE1-CB 4.26Å; Y194-L228 HydrophobicContact CE1-CD2 4.14Å; Y194-L228 PolarHBondContact OH-O 3.12Å; Y194-L228 VanDerWaalsContact OH-O 3.14Å; L195-L228 HydrophobicContact CD2-CD2 3.99Å; F210-L228 HydrophobicContact CE2-CB 3.85Å; D224-L228 WeakPolarHBondContact O-CB 3.44Å; D224-L228 VanDerWaalsContact O-CG 3.26Å; D224-L228 WeakPolarHBondContact O-CG 3.09Å; D224-L228 PolarHBondContact O-N 3.07Å; L225-L228 HydrophobicContact CD2-CD1 4.37Å; L225-L228 PolarHBondContact O-N 3.36Å; L228-S230 PolarHBondContact O-N 2.89Å; L228-L231 HydrophobicContact CD2-CD1 4.43Å; L228-L231 WeakPolarHBondContact O-CB 3.44Å; L228-L231 PolarHBondContact O-N 2.9Å; L228-L243 HydrophobicContact CD2-CD2 4.25Å
229	S	89	Confident	87.1	Confident	62 Å²	62	70 Å²	70	43%	0.434	36%	0.359	S	S	.	.	H	α-helix	trans	-61.8	-25.5	177.5	78	0	0	0	0	113.4	L225 R226 I227 L231	L225-S229 WeakPolarHBondContact O-CB 3.45Å; L225-S229 PolarHBondContact O-N 2.69Å; R226-S229 PolarHBondContact O-N 3.44Å; R226-S229 PolarHBondContact O-OG 2.89Å; I227-S229 VanDerWaalsContact C-N 3.28Å; I227-S229 PolarHBondContact O-N 2.8Å; S229-L231 VanDerWaalsContact C-N 3.32Å
230	S	87.8	Confident	86.8	Confident	72 Å²	72	67 Å²	67	50%	0.503	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-7.6	176.4	74.2	0	0	0	0	113.7	I227 L228 H236	I227-S230 WeakPolarHBondContact O-CB 3.39Å; I227-S230 PolarHBondContact O-N 3.39Å; I227-S230 VanDerWaalsContact O-N 3.08Å; I227-S230 PolarHBondContact O-OG 3.43Å; L228-S230 PolarHBondContact O-N 2.89Å; S230-H236 PolarHBondContact O-ND1 3.45Å
231	L	85.7	Confident	86.5	Confident	9 Å²	9	70.2 Å²	70.2	5%	0.047	35%	0.352	C	S	.	.			trans	-106.7	75.2	-169.4	-64.2	172.6	0	0	0	112.4	Y194 I227 L228 S229 H236 L243	Y194-L231 PolarHBondContact OH-O 2.92Å; I227-L231 HydrophobicContact CG2-CD1 4.17Å; I227-L231 WeakPolarHBondContact O-CG 3.41Å; L228-L231 HydrophobicContact CD2-CD1 4.43Å; L228-L231 WeakPolarHBondContact O-CB 3.44Å; L228-L231 PolarHBondContact O-N 2.9Å; S229-L231 VanDerWaalsContact C-N 3.32Å; L231-H236 HydrophobicContact CD2-CB 3.44Å; L231-H236 VanDerWaalsContact CD2-CB 3.44Å; L231-L243 HydrophobicContact CD1-CD1 2.94Å; L231-L243 HydrophobicContact CD1-CG 4.43Å; L231-L243 HydrophobicContact CG-CD1 4.38Å
232	T	86.4	Confident	86.1	Confident	45 Å²	45	71 Å²	71	28%	0.276	36%	0.358	S	S	.	.			trans	-92.2	-20.4	178.5	69.2	0	0	0	0	114	E203	E203-T232 WeakPolarHBondContact OE1-CB 3.48Å; E203-T232 PolarHBondContact OE1-OG1 3.43Å
233	K	86.7	Confident	85.8	Confident	103 Å²	103	66 Å²	66	45%	0.448	34%	0.335	S	S	.	.	S	Bend	trans	-116.3	149.4	-174	-64.6	-177.5	-179.1	179.2	0	112.6	E235 H236	K233-E235 PolarHBondContact O-N 3.24Å; K233-H236 PolarHBondContact O-N 2.9Å; K233-H236 VanDerWaalsContact O-N 3.09Å
234	K	86.1	Confident	85.7	Confident	55 Å²	55	64 Å²	64	24%	0.239	33%	0.327	C	S	.	.	H	α-helix	trans	-56.1	-32.2	172	-174.1	173.8	-169.8	149.9	0	113.8	Y199 H236 M237 R238	Y199-K234 PolarHBondContact O-NZ 2.85Å; K234-H236 VanDerWaalsContact C-N 3.35Å; K234-M237 WeakPolarHBondContact O-CB 3.41Å; K234-M237 PolarHBondContact O-N 3.14Å; K234-R238 PolarHBondContact O-N 2.93Å
235	E	86.1	Confident	85.5	Confident	146 Å²	146	65.8 Å²	65.8	68%	0.682	34%	0.337	S	S	*	.	H	α-helix	trans	-65.7	-38.2	177.8	-65.7	-179.8	178.8	0	0	112.1	K233 M237 R238	K233-E235 PolarHBondContact O-N 3.24Å; E235-M237 PolarHBondContact O-N 3.06Å; E235-R238 PolarHBondContact O-N 3.19Å; E235-R238 VanDerWaalsContact O-N 3.13Å
236	H	85.3	Confident	85.2	Confident	78 Å²	78	64.9 Å²	64.9	36%	0.361	33%	0.332	S	S	.	.	H	α-helix	trans	-67	-30.8	178.8	-52.5	173.5	0	0	0	111	S230 L231 K233 K234 R238 G239	S230-H236 PolarHBondContact O-ND1 3.45Å; L231-H236 HydrophobicContact CD2-CB 3.44Å; L231-H236 VanDerWaalsContact CD2-CB 3.44Å; K233-H236 PolarHBondContact O-N 2.9Å; K233-H236 VanDerWaalsContact O-N 3.09Å; K234-H236 VanDerWaalsContact C-N 3.35Å; H236-R238 VanDerWaalsContact C-N 3.34Å; H236-R238 PolarHBondContact O-N 3.19Å; H236-G239 PolarHBondContact O-N 3.28Å
237	M	80.1	Confident	84.9	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-66.6	-33.3	173.9	-64.4	-173.5	64.9	0	0	112.8	L195 V198 Y199 K234 E235 G239 N240 L244	L195-M237 HydrophobicContact CB-CE 4.22Å; L195-M237 HydrophobicContact CD2-CE 3.86Å; L195-M237 HydrophobicContact CD2-SD 4.4Å; L195-M237 HydrophobicContact CG-CE 4.47Å; V198-M237 HydrophobicContact CB-SD 4.21Å; V198-M237 HydrophobicContact CG1-CG 4.17Å; V198-M237 HydrophobicContact CG1-SD 3.75Å; Y199-M237 HydrophobicContact CD2-CE 4.46Å; Y199-M237 HydrophobicContact CD2-SD 4.46Å; K234-M237 WeakPolarHBondContact O-CB 3.41Å; K234-M237 PolarHBondContact O-N 3.14Å; E235-M237 PolarHBondContact O-N 3.06Å; M237-G239 VanDerWaalsContact C-N 3.27Å; M237-G239 PolarHBondContact O-N 2.66Å; M237-N240 PolarHBondContact O-N 3.32Å; M237-L244 WeakPolarHBondContact O-CD1 3.26Å
238	R	80.4	Confident	84.8	Confident	187 Å²	187	61.3 Å²	61.3	71%	0.706	33%	0.326	S	S	*	.	H	α-helix	trans	-66.7	-29.3	178.7	-74.5	-175.3	175.3	170.1	-1.6	112.9	K234 E235 H236	K234-R238 PolarHBondContact O-N 2.93Å; E235-R238 PolarHBondContact O-N 3.19Å; E235-R238 VanDerWaalsContact O-N 3.13Å; H236-R238 VanDerWaalsContact C-N 3.34Å; H236-R238 PolarHBondContact O-N 3.19Å
239	G	79.2	Confident	84.6	Confident	72 Å²	72	62.9 Å²	62.9	74%	0.742	34%	0.338	S	S	*	.	H	α-helix	trans	-80.2	-18.3	177.8	0	0	0	0	0	114	H236 M237	H236-G239 PolarHBondContact O-N 3.28Å; M237-G239 VanDerWaalsContact C-N 3.27Å; M237-G239 PolarHBondContact O-N 2.66Å
240	N	82.8	Confident	84.7	Confident	41 Å²	41	64.8 Å²	64.8	22%	0.219	34%	0.338	C	S	.	.			trans	-108.2	87.8	-178.9	-167	-24.2	0	0	0	110.6	M237 T242 L243 L244	M237-N240 PolarHBondContact O-N 3.32Å; N240-T242 PolarHBondContact O-N 3.18Å; N240-T242 VanDerWaalsContact OD1-CB 3.23Å; N240-T242 WeakPolarHBondContact OD1-CB 3.49Å; N240-T242 PolarHBondContact OD1-N 3.21Å; N240-T242 VanDerWaalsContact OD1-N 3.17Å; N240-L243 HydrophobicContact CB-CD1 4.25Å; N240-L243 WeakPolarHBondContact ND2-CD1 3.36Å; N240-L243 PolarHBondContact O-N 3.43Å; N240-L243 VanDerWaalsContact O-N 3.16Å; N240-L243 PolarHBondContact OD1-N 3.17Å; N240-L244 PolarHBondContact O-N 3.29Å
241	E	83.8	Confident	84.9	Confident	112 Å²	112	61.7 Å²	61.7	52%	0.523	32%	0.316	S	S	.	.	H	α-helix	trans	-56.5	-32.6	177.3	-69.6	-179	174.9	0	0	112.2	L243 L244 D245 R553	E241-L243 VanDerWaalsContact C-N 3.26Å; E241-L243 PolarHBondContact O-N 2.94Å; E241-L244 PolarHBondContact O-N 3.29Å; E241-D245 WeakPolarHBondContact O-CB 3.5Å; E241-D245 VanDerWaalsContact O-CG 3.24Å; E241-D245 PolarHBondContact O-N 3.28Å; E241-R553 IonicContact OE2-CZ 2.71Å; E241-R553 IonicContact OE2-NE 3.85Å; E241-R553 IonicContact OE2-NH1 3.14Å; E241-R553 IonicContact OE2-NH2 2.94Å
242	T	83.6	Confident	85.3	Confident	28 Å²	28	61.8 Å²	61.8	17%	0.172	32%	0.316	C	S	.	.	H	α-helix	trans	-60.8	-36.2	-180	-52.7	0	0	0	0	112.1	N240 F246 L305 R553 L573	N240-T242 PolarHBondContact O-N 3.18Å; N240-T242 VanDerWaalsContact OD1-CB 3.23Å; N240-T242 WeakPolarHBondContact OD1-CB 3.49Å; N240-T242 PolarHBondContact OD1-N 3.21Å; N240-T242 VanDerWaalsContact OD1-N 3.17Å; T242-F246 WeakPolarHBondContact O-CB 3.15Å; T242-F246 PolarHBondContact O-N 3.16Å; T242-L305 HydrophobicContact CG2-CD2 3.16Å; T242-R553 PolarHBondContact OG1-NH2 3.03Å; T242-L573 PolarHBondContact OG1-O 2.94Å
243	L	83.3	Confident	85.6	Confident	13 Å²	13	59.9 Å²	59.9	7%	0.068	30%	0.304	C	S	.	.	H	α-helix	trans	-83.5	-28.9	178.8	-71.6	172	0	0	0	113.4	I227 L228 L231 N240 E241 D245 F246 R247	I227-L243 HydrophobicContact CG2-CD1 4.4Å; L228-L243 HydrophobicContact CD2-CD2 4.25Å; L231-L243 HydrophobicContact CD1-CD1 2.94Å; L231-L243 HydrophobicContact CD1-CG 4.43Å; L231-L243 HydrophobicContact CG-CD1 4.38Å; N240-L243 HydrophobicContact CB-CD1 4.25Å; N240-L243 WeakPolarHBondContact ND2-CD1 3.36Å; N240-L243 PolarHBondContact O-N 3.43Å; N240-L243 VanDerWaalsContact O-N 3.16Å; N240-L243 PolarHBondContact OD1-N 3.17Å; E241-L243 VanDerWaalsContact C-N 3.26Å; E241-L243 PolarHBondContact O-N 2.94Å; L243-D245 VanDerWaalsContact C-N 3.34Å; L243-F246 PolarHBondContact O-N 3.44Å; L243-R247 WeakPolarHBondContact O-CB 3.49Å; L243-R247 PolarHBondContact O-N 2.94Å
244	L	84	Confident	85.8	Confident	54 Å²	54	55.5 Å²	55.5	28%	0.283	29%	0.285	S	S	.	.	H	α-helix	trans	-64.9	-43.3	168.7	-73	168.5	0	0	0	110.4	M237 N240 E241 R247 T248	M237-L244 WeakPolarHBondContact O-CD1 3.26Å; N240-L244 PolarHBondContact O-N 3.29Å; E241-L244 PolarHBondContact O-N 3.29Å; L244-R247 PolarHBondContact O-N 3.22Å; L244-T248 WeakPolarHBondContact O-CB 3.43Å; L244-T248 WeakPolarHBondContact O-CG2 3.26Å; L244-T248 PolarHBondContact O-N 3.09Å; L244-T248 PolarHBondContact O-OG1 3.18Å
245	D	85.4	Confident	86.1	Confident	56 Å²	56	52.9 Å²	52.9	30%	0.299	27%	0.274	S	S	.	.	H	α-helix	trans	-64	-41.6	173.6	-67.4	-22	0	0	0	110.8	E241 L243 R247 T248 S249 R553 L573	E241-D245 WeakPolarHBondContact O-CB 3.5Å; E241-D245 VanDerWaalsContact O-CG 3.24Å; E241-D245 PolarHBondContact O-N 3.28Å; L243-D245 VanDerWaalsContact C-N 3.34Å; D245-R247 VanDerWaalsContact C-N 3.35Å; D245-R247 PolarHBondContact O-N 3.19Å; D245-T248 WeakPolarHBondContact CA-OG1 3.44Å; D245-T248 PolarHBondContact O-N 2.97Å; D245-T248 PolarHBondContact O-OG1 3.08Å; D245-S249 WeakPolarHBondContact O-CA 3.36Å; D245-S249 WeakPolarHBondContact O-CB 3.47Å; D245-S249 PolarHBondContact O-N 3.14Å; D245-S249 PolarHBondContact O-OG 3.42Å; D245-R553 IonicContact OD2-NH1 3.43Å; D245-R553 PolarHBondContact OD2-NH1 3.31Å; D245-L573 HydrophobicContact CB-CD2 4.03Å
246	F	85.1	Confident	86.4	Confident	2 Å²	2	46 Å²	46	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-58.3	-45.1	172.8	-175.1	-85	0	0	0	111.9	Y187 V191 H192 L195 T242 L243 S249 F251 L305	Y187-F246 HydrophobicContact CE1-CE2 4.46Å; V191-F246 HydrophobicContact CB-CE1 3.76Å; V191-F246 HydrophobicContact CB-CZ 3.96Å; V191-F246 HydrophobicContact CG1-CD1 3.82Å; V191-F246 HydrophobicContact CG1-CE1 3.31Å; V191-F246 HydrophobicContact CG1-CZ 3.81Å; H192-F246 AromaticContact CD2-CE1 3.74Å; H192-F246 AromaticContact CE1-CD1 3.86Å; H192-F246 AromaticContact CE1-CE1 3.67Å; H192-F246 PolarHBondContact CE1-O 3.46Å; H192-F246 VanDerWaalsContact CE1-O 3.24Å; H192-F246 AromaticContact NE2-CE1 3.44Å; H192-F246 WeakPolarHBondContact NE2-CE1 3.35Å; H192-F246 AromaticContact NE2-CZ 3.99Å; L195-F246 HydrophobicContact CD1-CD1 3.96Å; T242-F246 WeakPolarHBondContact O-CB 3.15Å; T242-F246 PolarHBondContact O-N 3.16Å; L243-F246 PolarHBondContact O-N 3.44Å; F246-S249 PolarHBondContact O-OG 3.25Å; F246-F251 AromaticContact CE2-CD2 3.57Å; F246-F251 HydrophobicContact CE2-CD2 3.57Å; F246-F251 AromaticContact CE2-CE2 3.91Å; F246-F251 HydrophobicContact CE2-CE2 3.91Å; F246-F251 AromaticContact CZ-CD2 3.87Å; F246-F251 HydrophobicContact CZ-CD2 3.87Å; F246-F251 HydrophobicContact CZ-CE2 4.36Å; F246-L305 HydrophobicContact CD2-CD1 3.5Å; F246-L305 HydrophobicContact CD2-CG 3.86Å; F246-L305 WeakPolarHBondContact CD2-O 3.19Å; F246-L305 HydrophobicContact CE2-CD1 4.05Å; F246-L305 WeakPolarHBondContact CE2-O 3.28Å; F246-L305 HydrophobicContact CG-CD1 4.36Å
247	R	84.8	Confident	86.8	Confident	39 Å²	39	47.5 Å²	47.5	15%	0.147	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-40.2	-179.9	-177.3	178.2	-178.5	78.2	3.6	112.7	L195 E196 L243 L244 D245 H282	L195-R247 VanDerWaalsContact C-NH1 3.26Å; L195-R247 HydrophobicContact CD1-CB 4.4Å; L195-R247 PolarHBondContact O-NH1 2.86Å; E196-R247 VanDerWaalsContact N-NH1 3.1Å; L243-R247 WeakPolarHBondContact O-CB 3.49Å; L243-R247 PolarHBondContact O-N 2.94Å; L244-R247 PolarHBondContact O-N 3.22Å; D245-R247 VanDerWaalsContact C-N 3.35Å; D245-R247 PolarHBondContact O-N 3.19Å; R247-H282 PolarHBondContact O-CE1 2.82Å; R247-H282 PolarHBondContact O-ND1 3.39Å; R247-H282 VanDerWaalsContact O-ND1 3.15Å
248	T	85.9	Confident	87.4	Confident	109 Å²	109	51.3 Å²	51.3	67%	0.669	26%	0.264	S	S	*	.	H	α-helix	trans	-84.5	-29.1	-175.5	54.5	0	0	0	0	112.9	L244 D245	L244-T248 WeakPolarHBondContact O-CB 3.43Å; L244-T248 WeakPolarHBondContact O-CG2 3.26Å; L244-T248 PolarHBondContact O-N 3.09Å; L244-T248 PolarHBondContact O-OG1 3.18Å; D245-T248 WeakPolarHBondContact CA-OG1 3.44Å; D245-T248 PolarHBondContact O-N 2.97Å; D245-T248 PolarHBondContact O-OG1 3.08Å
249	S	86.1	Confident	88	Confident	36 Å²	36	42.4 Å²	42.4	25%	0.252	23%	0.231	S	C	.	.	S	Bend	trans	-78.4	157.6	174.6	68	0	0	0	0	111.4	D245 F246	D245-S249 WeakPolarHBondContact O-CA 3.36Å; D245-S249 WeakPolarHBondContact O-CB 3.47Å; D245-S249 PolarHBondContact O-N 3.14Å; D245-S249 PolarHBondContact O-OG 3.42Å; F246-S249 PolarHBondContact O-OG 3.25Å
250	K	89.9	Confident	88.7	Confident	102 Å²	102	41.2 Å²	41.2	44%	0.443	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-93.1	118.5	173.9	-61.2	-164.5	177.7	-148.6	0	109.4	V252 Q280 E281 H282	K250-V252 PolarHBondContact O-N 3.24Å; K250-Q280 PolarHBondContact NZ-O 3.48Å; K250-E281 WeakPolarHBondContact CE-O 3.1Å; K250-E281 PolarHBondContact NZ-O 3.04Å; K250-H282 CarbonylContact C-O 3.59Å; K250-H282 VanDerWaalsContact CA-O 3.24Å; K250-H282 WeakPolarHBondContact CA-O 3.47Å
251	F	93.1	Very high	89.2	Confident	7 Å²	7	44.3 Å²	44.3	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	125.5	175.6	-167.9	-82	0	0	0	109.8	Y187 P188 F246 L253 H282 L283 Y284 L305 G307	Y187-F251 HydrophobicContact CD1-CE2 4.32Å; Y187-F251 HydrophobicContact CD1-CZ 4.31Å; Y187-F251 HydrophobicContact CE1-CE2 4.23Å; P188-F251 HydrophobicContact CB-CB 4.01Å; P188-F251 HydrophobicContact CB-CD1 3.6Å; P188-F251 HydrophobicContact CB-CD2 3.91Å; P188-F251 HydrophobicContact CB-CE1 3.96Å; P188-F251 HydrophobicContact CB-CE2 4.23Å; P188-F251 HydrophobicContact CB-CG 3.56Å; P188-F251 HydrophobicContact CB-CZ 4.25Å; P188-F251 HydrophobicContact CG-CD1 3.76Å; P188-F251 HydrophobicContact CG-CE1 3.87Å; P188-F251 HydrophobicContact CG-CG 4.26Å; P188-F251 HydrophobicContact CG-CZ 4.43Å; F246-F251 AromaticContact CE2-CD2 3.57Å; F246-F251 HydrophobicContact CE2-CD2 3.57Å; F246-F251 AromaticContact CE2-CE2 3.91Å; F246-F251 HydrophobicContact CE2-CE2 3.91Å; F246-F251 AromaticContact CZ-CD2 3.87Å; F246-F251 HydrophobicContact CZ-CD2 3.87Å; F246-F251 HydrophobicContact CZ-CE2 4.36Å; F251-L253 HydrophobicContact CD1-CD2 3.91Å; F251-L253 HydrophobicContact CD1-CG 3.95Å; F251-L253 HydrophobicContact CE1-CD2 3.59Å; F251-L253 HydrophobicContact CE1-CG 4.17Å; F251-H282 PolarHBondContact N-O 3.48Å; F251-L283 HydrophobicContact CB-CD2 3.85Å; F251-L283 HydrophobicContact CD1-CD2 4.49Å; F251-L283 WeakPolarHBondContact O-CA 3.43Å; F251-Y284 PolarHBondContact O-N 2.78Å; F251-L305 WeakPolarHBondContact CD2-O 3.33Å; F251-L305 VanDerWaalsContact CE2-O 3.29Å; F251-L305 WeakPolarHBondContact CE2-O 3.42Å; F251-G307 VanDerWaalsContact CE1-CA 3.43Å; F251-G307 VanDerWaalsContact CE2-N 3.28Å
252	V	94	Very high	89.6	Confident	10 Å²	10	41.5 Å²	41.5	6%	0.061	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.1	-173.8	176.8	0	0	0	0	110.6	K250 Y284 A306 G307 E308 K310	K250-V252 PolarHBondContact O-N 3.24Å; V252-Y284 CarbonylContact C-O 3.6Å; V252-Y284 WeakPolarHBondContact CA-O 3.35Å; V252-Y284 HydrophobicContact CG1-CD1 4.09Å; V252-Y284 HydrophobicContact CG2-CD1 4.07Å; V252-A306 PolarHBondContact N-O 3.23Å; V252-G307 WeakPolarHBondContact O-CA 3.5Å; V252-E308 WeakPolarHBondContact CB-O 3.45Å; V252-E308 WeakPolarHBondContact CG1-O 3.41Å; V252-E308 PolarHBondContact O-N 3.32Å; V252-K310 HydrophobicContact CG1-CG 4.11Å; V252-K310 HydrophobicContact CG2-CG 3.88Å
253	L	92.8	Very high	89.9	Confident	5 Å²	5	40.2 Å²	40.2	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.4	175.9	-69.5	175.3	0	0	0	110.2	Q184 V185 P188 F251 L283 Y284 I285 D286	Q184-L253 HydrophobicContact CB-CD2 3.81Å; V185-L253 HydrophobicContact CG2-CD1 3.95Å; P188-L253 HydrophobicContact CG-CD1 4.23Å; P188-L253 HydrophobicContact CG-CD2 4.49Å; F251-L253 HydrophobicContact CD1-CD2 3.91Å; F251-L253 HydrophobicContact CD1-CG 3.95Å; F251-L253 HydrophobicContact CE1-CD2 3.59Å; F251-L253 HydrophobicContact CE1-CG 4.17Å; L253-L283 HydrophobicContact CD1-CD1 4.07Å; L253-L283 HydrophobicContact CD1-CD2 4.33Å; L253-Y284 PolarHBondContact N-O 3.39Å; L253-I285 CarbonylContact O-C 3.53Å; L253-I285 WeakPolarHBondContact O-CA 3.5Å; L253-D286 PolarHBondContact O-N 3.37Å
254	R	90.9	Very high	90.3	Very high	12 Å²	12	43.2 Å²	43.2	5%	0.045	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118	176.9	-63.7	-174.9	66.9	-154.6	-5	109.3	Q184 D286 R293 E308 T702 G703	Q184-R254 PolarHBondContact OE1-O 2.77Å; R254-D286 WeakPolarHBondContact CA-O 3.4Å; R254-D286 HydrophobicContact CG-CB 4.11Å; R254-D286 IonicContact NE-OD2 3.66Å; R254-D286 PolarHBondContact NE-OD2 3.24Å; R254-R293 PolarHBondContact O-NH2 3.01Å; R254-E308 VanDerWaalsContact CD-OE2 3.28Å; R254-E308 WeakPolarHBondContact CD-OE2 3.48Å; R254-E308 HydrophobicContact CG-CB 4.08Å; R254-T702 PolarHBondContact NH2-O 3.35Å; R254-G703 PolarHBondContact NH1-O 2.66Å; R254-G703 PolarHBondContact NH2-O 2.94Å
255	I	92.2	Very high	90.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.3	-179.6	63.3	-178.5	0	0	0	110.7	E181 Y260 I285 D286 I287 F288	E181-I255 HydrophobicContact CB-CG2 4.18Å; I255-Y260 HydrophobicContact CD1-CD2 3.88Å; I255-Y260 HydrophobicContact CD1-CG 4.22Å; I255-I285 HydrophobicContact CD1-CG2 3.4Å; I255-I285 VanDerWaalsContact CD1-CG2 3.4Å; I255-I285 HydrophobicContact CG1-CG2 3.48Å; I255-I285 VanDerWaalsContact CG1-CG2 3.48Å; I255-D286 PolarHBondContact N-O 3.28Å; I255-D286 VanDerWaalsContact N-O 3.16Å; I255-I287 WeakPolarHBondContact O-CA 3.36Å; I255-F288 VanDerWaalsContact C-CD1 3.48Å; I255-F288 VanDerWaalsContact O-CD1 3.3Å; I255-F288 WeakPolarHBondContact O-CD1 3.3Å; I255-F288 PolarHBondContact O-N 3.37Å; I255-F288 VanDerWaalsContact O-N 3.13Å
256	S	92.8	Very high	90.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	154.1	175.7	64.4	0	0	0	0	110.9	E181 D258 S259 Y260 F288	E181-S256 PolarHBondContact OE1-N 3.13Å; E181-S256 WeakPolarHBondContact OE2-CB 3.33Å; E181-S256 PolarHBondContact OE2-N 3.18Å; E181-S256 PolarHBondContact OE2-OG 3.36Å; S256-D258 PolarHBondContact O-N 3.16Å; S256-S259 PolarHBondContact O-N 3.04Å; S256-S259 WeakPolarHBondContact OG-CB 3.04Å; S256-S259 PolarHBondContact OG-N 3.42Å; S256-S259 PolarHBondContact OG-OG 2.97Å; S256-Y260 PolarHBondContact O-N 3.03Å; S256-F288 VanDerWaalsContact N-CE1 3.27Å
257	R	92.8	Very high	90.7	Very high	111 Å²	111	45.7 Å²	45.7	42%	0.419	21%	0.212	S	C	.	.	H	α-helix	trans	-53	-41.4	175.6	-178.3	177.9	-62.6	-90.4	-2.8	112.4	Y260 Q261 I287 F288 D289	R257-Y260 PolarHBondContact O-N 3.26Å; R257-Q261 VanDerWaalsContact O-CG 3.31Å; R257-Q261 WeakPolarHBondContact O-CG 3.46Å; R257-Q261 PolarHBondContact O-N 2.63Å; R257-I287 HydrophobicContact CB-CG2 3.91Å; R257-I287 HydrophobicContact CG-CG2 4.45Å; R257-F288 PolarHBondContact N-O 2.77Å; R257-D289 IonicContact CZ-OD1 2.92Å; R257-D289 IonicContact NE-OD1 3.27Å; R257-D289 PolarHBondContact NE-OD1 2.94Å; R257-D289 IonicContact NH2-OD1 3.9Å; R257-D289 PolarHBondContact NH2-OD1 3.4Å; R257-D289 IonicContact NH2-OD2 3.38Å; R257-D289 PolarHBondContact NH2-OD2 2.82Å
258	D	92.5	Very high	90.7	Very high	81 Å²	81	49.5 Å²	49.5	43%	0.433	23%	0.231	S	C	.	.	H	α-helix	trans	-68.9	-46.4	-175.8	-63.1	-13.6	0	0	0	111.4	S256 Y260 Q261 L262	S256-D258 PolarHBondContact O-N 3.16Å; D258-Y260 VanDerWaalsContact C-N 3.32Å; D258-Y260 PolarHBondContact O-N 3.4Å; D258-Q261 PolarHBondContact O-N 3.39Å; D258-L262 WeakPolarHBondContact O-CG 3.18Å; D258-L262 PolarHBondContact O-N 2.94Å; D258-L262 VanDerWaalsContact O-N 3.12Å
259	S	93.4	Very high	90.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.4	-42.8	174.5	-61.3	0	0	0	0	111.6	H178 E181 S256 Q261 L262 L263	H178-S259 PolarHBondContact ND1-OG 2.78Å; E181-S259 WeakPolarHBondContact OE2-CB 3.08Å; E181-S259 PolarHBondContact OE2-OG 3.41Å; S256-S259 PolarHBondContact O-N 3.04Å; S256-S259 WeakPolarHBondContact OG-CB 3.04Å; S256-S259 PolarHBondContact OG-N 3.42Å; S256-S259 PolarHBondContact OG-OG 2.97Å; S259-Q261 PolarHBondContact O-N 3.13Å; S259-L262 PolarHBondContact O-N 2.76Å; S259-L263 PolarHBondContact O-N 3.16Å; S259-L263 VanDerWaalsContact O-N 3.07Å
260	Y	93.7	Very high	89.4	Confident	48 Å²	48	57 Å²	57	19%	0.188	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-41.5	177.6	178.1	-113.5	0	0	0	112.6	I255 S256 R257 D258 L262 L263 K264 I285 I287	I255-Y260 HydrophobicContact CD1-CD2 3.88Å; I255-Y260 HydrophobicContact CD1-CG 4.22Å; S256-Y260 PolarHBondContact O-N 3.03Å; R257-Y260 PolarHBondContact O-N 3.26Å; D258-Y260 VanDerWaalsContact C-N 3.32Å; D258-Y260 PolarHBondContact O-N 3.4Å; Y260-L262 VanDerWaalsContact C-N 3.33Å; Y260-L262 PolarHBondContact O-N 2.87Å; Y260-L263 PolarHBondContact O-N 3Å; Y260-K264 HydrophobicContact CE1-CD 4.05Å; Y260-K264 VanDerWaalsContact O-CB 3.27Å; Y260-K264 WeakPolarHBondContact O-CB 3.35Å; Y260-K264 PolarHBondContact O-N 3.02Å; Y260-I285 HydrophobicContact CD2-CD1 4.11Å; Y260-I285 HydrophobicContact CD2-CG2 3.98Å; Y260-I285 HydrophobicContact CE2-CD1 3.88Å; Y260-I285 HydrophobicContact CE2-CG2 4.32Å; Y260-I287 HydrophobicContact CD1-CD1 3.43Å; Y260-I287 VanDerWaalsContact CD1-CD1 3.43Å; Y260-I287 HydrophobicContact CD1-CG1 4.14Å; Y260-I287 HydrophobicContact CE1-CD1 3.55Å; Y260-I287 HydrophobicContact CG-CD1 3.99Å; Y260-I287 HydrophobicContact CG-CG1 4.21Å
261	Q	92.8	Very high	88.1	Confident	106 Å²	106	59.1 Å²	59.1	50%	0.495	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-40.1	177.9	-75	177.9	15.4	0	0	111.9	R257 D258 S259 K264 R265	R257-Q261 VanDerWaalsContact O-CG 3.31Å; R257-Q261 WeakPolarHBondContact O-CG 3.46Å; R257-Q261 PolarHBondContact O-N 2.63Å; D258-Q261 PolarHBondContact O-N 3.39Å; S259-Q261 PolarHBondContact O-N 3.13Å; Q261-K264 PolarHBondContact O-N 2.92Å; Q261-R265 WeakPolarHBondContact O-CB 3.39Å; Q261-R265 PolarHBondContact O-N 2.89Å
262	L	91.7	Very high	86.9	Confident	52 Å²	52	59.8 Å²	59.8	27%	0.272	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-47.6	175	-69.8	173.1	0	0	0	111.7	V174 H178 D258 S259 Y260 R265 H266	V174-L262 HydrophobicContact CG1-CD1 4.35Å; H178-L262 HydrophobicContact CB-CD1 4.3Å; D258-L262 WeakPolarHBondContact O-CG 3.18Å; D258-L262 PolarHBondContact O-N 2.94Å; D258-L262 VanDerWaalsContact O-N 3.12Å; S259-L262 PolarHBondContact O-N 2.76Å; Y260-L262 VanDerWaalsContact C-N 3.33Å; Y260-L262 PolarHBondContact O-N 2.87Å; L262-R265 PolarHBondContact O-N 3.2Å; L262-H266 PolarHBondContact O-N 3.11Å; L262-H266 VanDerWaalsContact O-N 3.12Å
263	L	91.1	Very high	85.9	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-60.7	-47.9	176.6	179.6	62.6	0	0	0	111.3	L167 F170 L182 V185 S259 Y260 R265 H266 L267	L167-L263 HydrophobicContact CD1-CD1 3.99Å; F170-L263 HydrophobicContact CE1-CD1 4.41Å; L182-L263 HydrophobicContact CD2-CB 3.86Å; L182-L263 HydrophobicContact CD2-CD2 4.11Å; L182-L263 HydrophobicContact CD2-CG 4.4Å; V185-L263 HydrophobicContact CG2-CD2 4.35Å; S259-L263 PolarHBondContact O-N 3.16Å; S259-L263 VanDerWaalsContact O-N 3.07Å; Y260-L263 PolarHBondContact O-N 3Å; L263-R265 PolarHBondContact O-N 3.36Å; L263-H266 PolarHBondContact O-N 3.15Å; L263-L267 HydrophobicContact CD1-CD1 3.91Å; L263-L267 HydrophobicContact CD1-CG 4.23Å; L263-L267 HydrophobicContact CG-CD1 3.85Å; L263-L267 VanDerWaalsContact O-CG 3.31Å; L263-L267 WeakPolarHBondContact O-CG 3.4Å; L263-L267 PolarHBondContact O-N 3.37Å
264	K	90.4	Very high	85.3	Confident	77 Å²	77	64.2 Å²	64.2	34%	0.335	29%	0.285	S	S	.	.	H	α-helix	trans	-60.5	-43.8	-179.8	-176.3	174.4	-179.5	176.1	0	111.9	Y260 Q261 L267 Q268 W276	Y260-K264 HydrophobicContact CE1-CD 4.05Å; Y260-K264 VanDerWaalsContact O-CB 3.27Å; Y260-K264 WeakPolarHBondContact O-CB 3.35Å; Y260-K264 PolarHBondContact O-N 3.02Å; Q261-K264 PolarHBondContact O-N 2.92Å; K264-L267 PolarHBondContact O-N 3.45Å; K264-Q268 VanDerWaalsContact O-CG 3.31Å; K264-Q268 WeakPolarHBondContact O-CG 3.31Å; K264-Q268 PolarHBondContact O-N 3.36Å; K264-Q268 VanDerWaalsContact O-N 3.11Å; K264-W276 HydrophobicContact CD-CH2 4.46Å; K264-W276 HydrophobicContact CG-CH2 4.11Å; K264-W276 HydrophobicContact CG-CZ3 4.13Å
265	R	90.5	Very high	85	Confident	149 Å²	149	63.7 Å²	63.7	56%	0.562	28%	0.283	S	S	*	.	H	α-helix	trans	-61.3	-46.4	177.3	-175.3	177.7	69.7	166.3	2.1	111.3	Q261 L262 L263 L267 Q268 E269	Q261-R265 WeakPolarHBondContact O-CB 3.39Å; Q261-R265 PolarHBondContact O-N 2.89Å; L262-R265 PolarHBondContact O-N 3.2Å; L263-R265 PolarHBondContact O-N 3.36Å; R265-L267 VanDerWaalsContact C-N 3.35Å; R265-L267 PolarHBondContact O-N 3.36Å; R265-Q268 PolarHBondContact O-N 3.48Å; R265-E269 WeakPolarHBondContact CD-OE1 3.44Å; R265-E269 HydrophobicContact CG-CG 4.32Å; R265-E269 WeakPolarHBondContact CG-OE1 3.41Å; R265-E269 IonicContact NE-OE1 2.68Å; R265-E269 WeakPolarHBondContact O-CG 3.28Å; R265-E269 PolarHBondContact O-N 3.19Å
266	H	88	Confident	84.7	Confident	14 Å²	14	66.3 Å²	66.3	7%	0.065	29%	0.293	C	S	.	.	H	α-helix	trans	-60.8	-43.1	178.9	-179.7	70.6	0	0	0	112.7	F170 L262 L263 Q268 E269	F170-H266 HydrophobicContact CD1-CB 4.15Å; F170-H266 AromaticContact CD1-CD2 3.56Å; F170-H266 AromaticContact CD1-CG 3.72Å; F170-H266 HydrophobicContact CD2-CB 4.12Å; F170-H266 AromaticContact CD2-CE1 3.78Å; F170-H266 AromaticContact CD2-CG 3.6Å; F170-H266 AromaticContact CD2-ND1 3.4Å; F170-H266 WeakPolarHBondContact CD2-ND1 3.34Å; F170-H266 HydrophobicContact CE1-CB 3.76Å; F170-H266 AromaticContact CE1-CG 3.87Å; F170-H266 HydrophobicContact CE2-CB 3.71Å; F170-H266 AromaticContact CE2-CG 3.74Å; F170-H266 AromaticContact CE2-ND1 3.82Å; F170-H266 HydrophobicContact CG-CB 4.32Å; F170-H266 AromaticContact CG-CD2 3.58Å; F170-H266 AromaticContact CG-CE1 3.68Å; F170-H266 AromaticContact CG-CG 3.58Å; F170-H266 AromaticContact CG-ND1 3.65Å; F170-H266 AromaticContact CG-NE2 3.66Å; F170-H266 HydrophobicContact CZ-CB 3.52Å; F170-H266 AromaticContact CZ-CG 3.87Å; L262-H266 PolarHBondContact O-N 3.11Å; L262-H266 VanDerWaalsContact O-N 3.12Å; L263-H266 PolarHBondContact O-N 3.15Å; H266-Q268 VanDerWaalsContact C-N 3.32Å; H266-Q268 PolarHBondContact O-N 3.14Å; H266-E269 PolarHBondContact O-N 3.2Å
267	L	86.2	Confident	84.4	Confident	1 Å²	1	70 Å²	70	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-67.1	-32.5	-179.9	-67.3	171.7	0	0	0	112.3	L167 L263 K264 R265 N272 I275 W276 I279	L167-L267 HydrophobicContact CD1-CD2 4.4Å; L263-L267 HydrophobicContact CD1-CD1 3.91Å; L263-L267 HydrophobicContact CD1-CG 4.23Å; L263-L267 HydrophobicContact CG-CD1 3.85Å; L263-L267 VanDerWaalsContact O-CG 3.31Å; L263-L267 WeakPolarHBondContact O-CG 3.4Å; L263-L267 PolarHBondContact O-N 3.37Å; K264-L267 PolarHBondContact O-N 3.45Å; R265-L267 VanDerWaalsContact C-N 3.35Å; R265-L267 PolarHBondContact O-N 3.36Å; L267-N272 HydrophobicContact CD2-CB 4.49Å; L267-I275 HydrophobicContact CD2-CB 4.28Å; L267-I275 HydrophobicContact CD2-CG2 3.8Å; L267-W276 HydrophobicContact CB-CE3 3.77Å; L267-W276 HydrophobicContact CB-CZ3 4.46Å; L267-W276 HydrophobicContact CD1-CE3 3.65Å; L267-W276 HydrophobicContact CD1-CZ3 4.1Å; L267-W276 HydrophobicContact CG-CE3 4.34Å; L267-I279 HydrophobicContact CD1-CD1 3.69Å
268	Q	83.8	Confident	84.1	Confident	118 Å²	118	65 Å²	65	55%	0.551	30%	0.295	S	S	*	.	H	α-helix	trans	-77.1	-33.9	177.4	-71.5	179	-18.6	0	0	113.7	K264 R265 H266	K264-Q268 VanDerWaalsContact O-CG 3.31Å; K264-Q268 WeakPolarHBondContact O-CG 3.31Å; K264-Q268 PolarHBondContact O-N 3.36Å; K264-Q268 VanDerWaalsContact O-N 3.11Å; R265-Q268 PolarHBondContact O-N 3.48Å; H266-Q268 VanDerWaalsContact C-N 3.32Å; H266-Q268 PolarHBondContact O-N 3.14Å
269	E	78.4	Confident	83.9	Confident	130 Å²	130	61.5 Å²	61.5	61%	0.607	28%	0.276	S	S	*	.	H	α-helix	trans	-73.4	-29.7	-174.9	-77	172.7	179.8	0	0	114	R265 H266	R265-E269 WeakPolarHBondContact CD-OE1 3.44Å; R265-E269 HydrophobicContact CG-CG 4.32Å; R265-E269 WeakPolarHBondContact CG-OE1 3.41Å; R265-E269 IonicContact NE-OE1 2.68Å; R265-E269 WeakPolarHBondContact O-CG 3.28Å; R265-E269 PolarHBondContact O-N 3.19Å; H266-E269 PolarHBondContact O-N 3.2Å
270	R	66.6	Low	83.7	Confident	174 Å²	174	67.3 Å²	67.3	66%	0.657	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	5.9	-167.9	-72.4	-146.3	175.7	-152.4	2.2	116.7	N272	R270-N272 PolarHBondContact O-N 3.11Å
271	Q	63.2	Low	83.4	Confident	146 Å²	146	69.7 Å²	69.7	68%	0.682	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	29.2	-169.4	-60.5	-71.9	-26	0	0	112.2	N273	Q271-N273 PolarHBondContact O-N 2.95Å; Q271-N273 PolarHBondContact OE1-ND2 3.33Å
272	N	66.5	Low	83.3	Confident	21 Å²	21	65.4 Å²	65.4	11%	0.112	30%	0.296	C	S	.	.			trans	-77.6	46.9	174.3	-74.7	-9	0	0	0	110.6	L267 R270 Q274 I275 W276	L267-N272 HydrophobicContact CD2-CB 4.49Å; R270-N272 PolarHBondContact O-N 3.11Å; N272-Q274 PolarHBondContact O-N 3.24Å; N272-Q274 VanDerWaalsContact O-N 3.16Å; N272-I275 PolarHBondContact O-N 2.94Å; N272-W276 PolarHBondContact O-N 2.83Å; N272-W276 VanDerWaalsContact O-N 3.1Å
273	N	74.6	Confident	83.4	Confident	81 Å²	81	63.4 Å²	63.4	43%	0.433	29%	0.285	S	S	.	.	H	α-helix	trans	-60.7	-29.9	-172.5	-65	-23.9	0	0	0	111.3	Q271 W276 N277	Q271-N273 PolarHBondContact O-N 2.95Å; Q271-N273 PolarHBondContact OE1-ND2 3.33Å; N273-W276 PolarHBondContact O-N 2.82Å; N273-N277 WeakPolarHBondContact O-CB 3.09Å; N273-N277 PolarHBondContact O-N 3.49Å; N273-N277 PolarHBondContact O-ND2 2.94Å; N273-N277 PolarHBondContact O-OD1 3.46Å
274	Q	79.8	Confident	83.5	Confident	26 Å²	26	67 Å²	67	12%	0.121	30%	0.299	C	S	.	.	H	α-helix	trans	-66.8	-50.2	178.4	-165.8	64.4	11.2	0	0	112.9	Y160 Y163 N272 W276 N277 I278	Y160-Q274 HydrophobicContact CE2-CG 4.31Å; Y160-Q274 PolarHBondContact OH-NE2 3.36Å; Y163-Q274 HydrophobicContact CD2-CB 4.34Å; Y163-Q274 HydrophobicContact CE2-CB 4.05Å; Y163-Q274 HydrophobicContact CE2-CG 4.43Å; N272-Q274 PolarHBondContact O-N 3.24Å; N272-Q274 VanDerWaalsContact O-N 3.16Å; Q274-W276 VanDerWaalsContact C-N 3.27Å; Q274-W276 PolarHBondContact O-N 3.23Å; Q274-N277 PolarHBondContact O-N 3.37Å; Q274-I278 HydrophobicContact CG-CD1 4.35Å; Q274-I278 WeakPolarHBondContact O-CG1 3.19Å; Q274-I278 PolarHBondContact O-N 3.3Å
275	I	84.4	Confident	83.6	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-42	175.1	-68.1	168.4	0	0	0	109.8	Y163 L167 L189 L267 N272 N277 I278 I279	Y163-I275 WeakPolarHBondContact O-CD1 3.34Å; L167-I275 HydrophobicContact CB-CD1 4.22Å; L167-I275 HydrophobicContact CD2-CG2 4.27Å; L189-I275 HydrophobicContact CD1-CG2 4.41Å; L189-I275 HydrophobicContact CD2-CG2 4.18Å; L267-I275 HydrophobicContact CD2-CB 4.28Å; L267-I275 HydrophobicContact CD2-CG2 3.8Å; N272-I275 PolarHBondContact O-N 2.94Å; I275-N277 VanDerWaalsContact C-N 3.32Å; I275-N277 PolarHBondContact O-N 2.96Å; I275-I278 PolarHBondContact O-N 2.66Å; I275-I279 HydrophobicContact CG2-CD1 3.59Å; I275-I279 HydrophobicContact CG2-CG1 4.1Å; I275-I279 WeakPolarHBondContact O-CB 3.29Å; I275-I279 VanDerWaalsContact O-CG1 3.25Å; I275-I279 WeakPolarHBondContact O-CG1 3.4Å; I275-I279 PolarHBondContact O-N 2.64Å
276	W	86.1	Confident	83.7	Confident	56 Å²	56	58.3 Å²	58.3	21%	0.212	27%	0.267	C	S	.	.	H	α-helix	trans	-58.5	-43.7	177.2	177.7	-96.5	0	0	0	112	K264 L267 N272 N273 Q274 I279 Q280	K264-W276 HydrophobicContact CD-CH2 4.46Å; K264-W276 HydrophobicContact CG-CH2 4.11Å; K264-W276 HydrophobicContact CG-CZ3 4.13Å; L267-W276 HydrophobicContact CB-CE3 3.77Å; L267-W276 HydrophobicContact CB-CZ3 4.46Å; L267-W276 HydrophobicContact CD1-CE3 3.65Å; L267-W276 HydrophobicContact CD1-CZ3 4.1Å; L267-W276 HydrophobicContact CG-CE3 4.34Å; N272-W276 PolarHBondContact O-N 2.83Å; N272-W276 VanDerWaalsContact O-N 3.1Å; N273-W276 PolarHBondContact O-N 2.82Å; Q274-W276 VanDerWaalsContact C-N 3.27Å; Q274-W276 PolarHBondContact O-N 3.23Å; W276-I279 PolarHBondContact O-N 2.82Å; W276-Q280 WeakPolarHBondContact O-CB 3.23Å; W276-Q280 PolarHBondContact O-N 3.35Å
277	N	86.6	Confident	83.9	Confident	77 Å²	77	60.4 Å²	60.4	41%	0.412	28%	0.278	S	S	.	.	H	α-helix	trans	-63.1	-47.2	177	-68.8	-15.1	0	0	0	111.6	N273 Q274 I275 I279 Q280 E281	N273-N277 WeakPolarHBondContact O-CB 3.09Å; N273-N277 PolarHBondContact O-N 3.49Å; N273-N277 PolarHBondContact O-ND2 2.94Å; N273-N277 PolarHBondContact O-OD1 3.46Å; Q274-N277 PolarHBondContact O-N 3.37Å; I275-N277 VanDerWaalsContact C-N 3.32Å; I275-N277 PolarHBondContact O-N 2.96Å; N277-I279 VanDerWaalsContact C-N 3.33Å; N277-I279 PolarHBondContact O-N 3.23Å; N277-Q280 PolarHBondContact O-N 3.44Å; N277-Q280 VanDerWaalsContact O-N 3.15Å; N277-E281 WeakPolarHBondContact O-CB 3.38Å; N277-E281 PolarHBondContact O-N 3.37Å
278	I	86.8	Confident	84	Confident	6 Å²	6	60.4 Å²	60.4	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-45	177.8	-66	170.6	0	0	0	110.5	Y160 L189 H192 M193 Q274 I275 Q280 E281 H282	Y160-I278 HydrophobicContact CE1-CD1 4.19Å; L189-I278 HydrophobicContact CD1-CB 4.36Å; L189-I278 HydrophobicContact CD1-CG2 3.69Å; H192-I278 HydrophobicContact CB-CG2 4.28Å; M193-I278 HydrophobicContact CG-CD1 3.85Å; Q274-I278 HydrophobicContact CG-CD1 4.35Å; Q274-I278 WeakPolarHBondContact O-CG1 3.19Å; Q274-I278 PolarHBondContact O-N 3.3Å; I275-I278 PolarHBondContact O-N 2.66Å; I278-Q280 VanDerWaalsContact C-N 3.33Å; I278-Q280 PolarHBondContact O-N 2.76Å; I278-E281 PolarHBondContact O-N 2.67Å; I278-H282 WeakPolarHBondContact O-CB 3.12Å; I278-H282 PolarHBondContact O-N 3.31Å
279	I	88.4	Confident	84.1	Confident	8 Å²	8	59.4 Å²	59.4	4%	0.041	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-42.6	176.5	-70.6	177.3	0	0	0	110.8	V185 L189 L267 I275 W276 N277 L283 I285	V185-I279 HydrophobicContact CG1-CD1 4.49Å; L189-I279 HydrophobicContact CD1-CG1 4.36Å; L267-I279 HydrophobicContact CD1-CD1 3.69Å; I275-I279 HydrophobicContact CG2-CD1 3.59Å; I275-I279 HydrophobicContact CG2-CG1 4.1Å; I275-I279 WeakPolarHBondContact O-CB 3.29Å; I275-I279 VanDerWaalsContact O-CG1 3.25Å; I275-I279 WeakPolarHBondContact O-CG1 3.4Å; I275-I279 PolarHBondContact O-N 2.64Å; W276-I279 PolarHBondContact O-N 2.82Å; N277-I279 VanDerWaalsContact C-N 3.33Å; N277-I279 PolarHBondContact O-N 3.23Å; I279-L283 HydrophobicContact CB-CD1 4.17Å; I279-L283 HydrophobicContact CG1-CD1 3.78Å; I279-L283 HydrophobicContact CG2-CB 4.41Å; I279-L283 HydrophobicContact CG2-CD1 4.09Å; I279-L283 WeakPolarHBondContact O-CA 3.1Å; I279-L283 VanDerWaalsContact O-CB 3.29Å; I279-L283 WeakPolarHBondContact O-CB 3.24Å; I279-L283 PolarHBondContact O-N 3.36Å; I279-I285 HydrophobicContact CG2-CD1 4.02Å
280	Q	87.5	Confident	84.3	Confident	122 Å²	122	54.9 Å²	54.9	57%	0.57	27%	0.265	S	S	*	.	H	α-helix	trans	-71.2	-34.4	-178.7	-173.9	172.3	-17.2	0	0	113	K250 W276 N277 I278	K250-Q280 PolarHBondContact NZ-O 3.48Å; W276-Q280 WeakPolarHBondContact O-CB 3.23Å; W276-Q280 PolarHBondContact O-N 3.35Å; N277-Q280 PolarHBondContact O-N 3.44Å; N277-Q280 VanDerWaalsContact O-N 3.15Å; I278-Q280 VanDerWaalsContact C-N 3.33Å; I278-Q280 PolarHBondContact O-N 2.76Å
281	E	89.2	Confident	85.2	Confident	97 Å²	97	54.1 Å²	54.1	45%	0.453	27%	0.271	S	S	.	.	H	α-helix	trans	-77.2	-50.1	179.7	-169.9	168	176.6	0	0	111.4	K250 N277 I278	K250-E281 WeakPolarHBondContact CE-O 3.1Å; K250-E281 PolarHBondContact NZ-O 3.04Å; N277-E281 WeakPolarHBondContact O-CB 3.38Å; N277-E281 PolarHBondContact O-N 3.37Å; I278-E281 PolarHBondContact O-N 2.67Å
282	H	90.4	Very high	86.5	Confident	17 Å²	17	48.6 Å²	48.6	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-107	-15.1	-165.9	-62.8	-63.9	0	0	0	115.6	H192 R247 K250 F251 I278	H192-H282 AromaticContact CE1-CG 3.83Å; H192-H282 AromaticContact CE1-ND1 3.83Å; H192-H282 AromaticContact CG-CG 3.97Å; H192-H282 AromaticContact ND1-CG 3.54Å; H192-H282 AromaticContact ND1-ND1 3.67Å; R247-H282 PolarHBondContact O-CE1 2.82Å; R247-H282 PolarHBondContact O-ND1 3.39Å; R247-H282 VanDerWaalsContact O-ND1 3.15Å; K250-H282 CarbonylContact C-O 3.59Å; K250-H282 VanDerWaalsContact CA-O 3.24Å; K250-H282 WeakPolarHBondContact CA-O 3.47Å; F251-H282 PolarHBondContact N-O 3.48Å; I278-H282 WeakPolarHBondContact O-CB 3.12Å; I278-H282 PolarHBondContact O-N 3.31Å
283	L	92.8	Very high	87.5	Confident	10 Å²	10	47.8 Å²	47.8	5%	0.052	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142.4	175.9	-54.5	179.1	0	0	0	111	V185 P188 F251 L253 I279 I285	V185-L283 HydrophobicContact CG1-CD1 4.2Å; P188-L283 HydrophobicContact CB-CD2 3.7Å; P188-L283 HydrophobicContact CG-CD2 3.87Å; F251-L283 HydrophobicContact CB-CD2 3.85Å; F251-L283 HydrophobicContact CD1-CD2 4.49Å; F251-L283 WeakPolarHBondContact O-CA 3.43Å; L253-L283 HydrophobicContact CD1-CD1 4.07Å; L253-L283 HydrophobicContact CD1-CD2 4.33Å; I279-L283 HydrophobicContact CB-CD1 4.17Å; I279-L283 HydrophobicContact CG1-CD1 3.78Å; I279-L283 HydrophobicContact CG2-CB 4.41Å; I279-L283 HydrophobicContact CG2-CD1 4.09Å; I279-L283 WeakPolarHBondContact O-CA 3.1Å; I279-L283 VanDerWaalsContact O-CB 3.29Å; I279-L283 WeakPolarHBondContact O-CB 3.24Å; I279-L283 PolarHBondContact O-N 3.36Å; L283-I285 HydrophobicContact CB-CG1 4.48Å
284	Y	94.2	Very high	88.2	Confident	77 Å²	77	46.2 Å²	46.2	30%	0.302	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	105.9	166.7	-179.3	-95.9	0	0	0	108.8	F251 V252 L253 D286 K310	F251-Y284 PolarHBondContact O-N 2.78Å; V252-Y284 CarbonylContact C-O 3.6Å; V252-Y284 WeakPolarHBondContact CA-O 3.35Å; V252-Y284 HydrophobicContact CG1-CD1 4.09Å; V252-Y284 HydrophobicContact CG2-CD1 4.07Å; L253-Y284 PolarHBondContact N-O 3.39Å; Y284-D286 HydrophobicContact CE1-CB 4.17Å; Y284-K310 HydrophobicContact CD1-CD 4.31Å; Y284-K310 HydrophobicContact CD1-CG 4.19Å; Y284-K310 HydrophobicContact CE1-CD 3.99Å; Y284-K310 HydrophobicContact CE1-CG 3.96Å
285	I	92.6	Very high	88.7	Confident	32 Å²	32	49.6 Å²	49.6	16%	0.164	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	105.3	-178.3	-59.3	177.6	0	0	0	108.9	L253 I255 Y260 I279 L283 I287	L253-I285 CarbonylContact O-C 3.53Å; L253-I285 WeakPolarHBondContact O-CA 3.5Å; I255-I285 HydrophobicContact CD1-CG2 3.4Å; I255-I285 VanDerWaalsContact CD1-CG2 3.4Å; I255-I285 HydrophobicContact CG1-CG2 3.48Å; I255-I285 VanDerWaalsContact CG1-CG2 3.48Å; Y260-I285 HydrophobicContact CD2-CD1 4.11Å; Y260-I285 HydrophobicContact CD2-CG2 3.98Å; Y260-I285 HydrophobicContact CE2-CD1 3.88Å; Y260-I285 HydrophobicContact CE2-CG2 4.32Å; I279-I285 HydrophobicContact CG2-CD1 4.02Å; L283-I285 HydrophobicContact CB-CG1 4.48Å; I285-I287 HydrophobicContact CG2-CG1 4.13Å; I285-I287 PolarHBondContact O-N 2.74Å
286	D	91.4	Very high	88.8	Confident	11 Å²	11	53.2 Å²	53.2	6%	0.059	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	109.1	169.5	172.5	23.1	0	0	0	109.3	L253 R254 I255 Y284 R311	L253-D286 PolarHBondContact O-N 3.37Å; R254-D286 WeakPolarHBondContact CA-O 3.4Å; R254-D286 HydrophobicContact CG-CB 4.11Å; R254-D286 IonicContact NE-OD2 3.66Å; R254-D286 PolarHBondContact NE-OD2 3.24Å; I255-D286 PolarHBondContact N-O 3.28Å; I255-D286 VanDerWaalsContact N-O 3.16Å; Y284-D286 HydrophobicContact CE1-CB 4.17Å; D286-R311 IonicContact OD1-CZ 3.96Å; D286-R311 IonicContact OD1-NH2 3.91Å; D286-R311 PolarHBondContact OD1-NH2 3.24Å; D286-R311 IonicContact OD2-NE 2.89Å; D286-R311 IonicContact OD2-NH2 3.68Å
287	I	91.6	Very high	88.9	Confident	57 Å²	57	51.9 Å²	51.9	29%	0.292	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127	-178.7	-56.1	167	0	0	0	108.5	I255 R257 Y260 I285 R311	I255-I287 WeakPolarHBondContact O-CA 3.36Å; R257-I287 HydrophobicContact CB-CG2 3.91Å; R257-I287 HydrophobicContact CG-CG2 4.45Å; Y260-I287 HydrophobicContact CD1-CD1 3.43Å; Y260-I287 VanDerWaalsContact CD1-CD1 3.43Å; Y260-I287 HydrophobicContact CD1-CG1 4.14Å; Y260-I287 HydrophobicContact CE1-CD1 3.55Å; Y260-I287 HydrophobicContact CG-CD1 3.99Å; Y260-I287 HydrophobicContact CG-CG1 4.21Å; I285-I287 HydrophobicContact CG2-CG1 4.13Å; I285-I287 PolarHBondContact O-N 2.74Å; I287-R311 PolarHBondContact O-NH2 3.35Å
288	F	88.6	Confident	89	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.8	170.8	73.5	-89.9	0	0	0	111.9	E181 I255 S256 R257 M291 R293 H704	E181-F288 WeakPolarHBondContact OE1-CZ 3.47Å; I255-F288 VanDerWaalsContact C-CD1 3.48Å; I255-F288 VanDerWaalsContact O-CD1 3.3Å; I255-F288 WeakPolarHBondContact O-CD1 3.3Å; I255-F288 PolarHBondContact O-N 3.37Å; I255-F288 VanDerWaalsContact O-N 3.13Å; S256-F288 VanDerWaalsContact N-CE1 3.27Å; R257-F288 PolarHBondContact N-O 2.77Å; F288-M291 WeakPolarHBondContact CE2-O 3.42Å; F288-R293 HydrophobicContact CE1-CG 4.24Å; F288-R293 HydrophobicContact CZ-CG 3.77Å; F288-H704 AromaticContact CE2-CE1 3.85Å
289	D	85.8	Confident	89.1	Confident	97 Å²	97	50 Å²	50	52%	0.519	26%	0.263	S	S	.	.	S	Bend	trans	-89.6	113.4	175.5	-65.5	-37.7	0	0	0	108.3	R257	R257-D289 IonicContact CZ-OD1 2.92Å; R257-D289 IonicContact NE-OD1 3.27Å; R257-D289 PolarHBondContact NE-OD1 2.94Å; R257-D289 IonicContact NH2-OD1 3.9Å; R257-D289 PolarHBondContact NH2-OD1 3.4Å; R257-D289 IonicContact NH2-OD2 3.38Å; R257-D289 PolarHBondContact NH2-OD2 2.82Å
290	G	83.9	Confident	89	Confident	34 Å²	34	49.7 Å²	49.7	35%	0.351	26%	0.263	S	S	.	.	S	Bend	trans	160.7	177.5	-176.6	0	0	0	0	0	112.3
291	M	85.7	Confident	89	Confident	159 Å²	159	45.1 Å²	45.1	78%	0.783	24%	0.241	S	C	*	.	S	Bend	trans	-64.6	146.4	174.8	-67.2	-70.1	-76.2	0	0	110.7	F288	F288-M291 WeakPolarHBondContact CE2-O 3.42Å
292	P	88.7	Confident	88.9	Confident	29 Å²	29	40.9 Å²	40.9	19%	0.188	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-55	139.4	172.7	-24.7	32.6	0	0	0	112.5	C177 E181	C177-P292 HydrophobicContact CB-CB 4.48Å; E181-P292 HydrophobicContact CG-CB 4.33Å; E181-P292 WeakPolarHBondContact OE1-CA 3.27Å
293	R	89.3	Confident	88.6	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.015	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-68	148.6	178.5	-64.7	-177.8	-63.8	165.4	5.6	111.4	E181 R254 F288 I298 E308	E181-R293 PolarHBondContact OE1-N 3.21Å; R254-R293 PolarHBondContact O-NH2 3.01Å; F288-R293 HydrophobicContact CE1-CG 4.24Å; F288-R293 HydrophobicContact CZ-CG 3.77Å; R293-I298 HydrophobicContact CB-CD1 4.05Å; R293-I298 HydrophobicContact CB-CG1 3.78Å; R293-E308 IonicContact CZ-OE1 3.86Å; R293-E308 IonicContact CZ-OE2 3.36Å; R293-E308 IonicContact NH1-OE1 2.77Å; R293-E308 PolarHBondContact NH1-OE1 2.79Å; R293-E308 IonicContact NH1-OE2 3.04Å; R293-E308 PolarHBondContact NH1-OE2 3.29Å; R293-E308 IonicContact NH2-OE1 3.32Å; R293-E308 PolarHBondContact NH2-OE1 3.28Å; R293-E308 IonicContact NH2-OE2 3.53Å
294	S	89.1	Confident	88.4	Confident	49 Å²	49	39.7 Å²	39.7	34%	0.343	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-73	155.2	173	77.3	0	0	0	0	111.2	S296 Q297 I298	S294-S296 PolarHBondContact O-N 2.78Å; S294-Q297 PolarHBondContact O-N 2.8Å; S294-Q297 VanDerWaalsContact O-N 3.13Å; S294-Q297 WeakPolarHBondContact OG-CG 3.41Å; S294-Q297 PolarHBondContact OG-N 2.77Å; S294-Q297 PolarHBondContact OG-OE1 2.92Å; S294-I298 WeakPolarHBondContact O-CG1 3.28Å; S294-I298 PolarHBondContact O-N 3.29Å; S294-I298 VanDerWaalsContact O-N 3.12Å
295	K	89.3	Confident	88	Confident	97 Å²	97	36.7 Å²	36.7	42%	0.422	21%	0.206	S	C	.	.	H	α-helix	trans	-54.4	-41.3	176.2	177.1	160.2	176.2	144.7	0	112.1	A180 E218 Q297 I298 D299	A180-K295 HydrophobicContact CB-CB 4.07Å; E218-K295 IonicContact OE1-NZ 2.75Å; E218-K295 PolarHBondContact OE1-NZ 3.4Å; E218-K295 IonicContact OE2-NZ 3.46Å; E218-K295 PolarHBondContact OE2-NZ 2.75Å; K295-Q297 PolarHBondContact O-N 3.47Å; K295-I298 WeakPolarHBondContact O-CB 3.42Å; K295-I298 PolarHBondContact O-N 3Å; K295-D299 WeakPolarHBondContact CE-OD2 3.41Å; K295-D299 VanDerWaalsContact CG-OD2 3.3Å; K295-D299 WeakPolarHBondContact CG-OD2 3.29Å; K295-D299 WeakPolarHBondContact O-CB 3.41Å; K295-D299 PolarHBondContact O-N 2.81Å
296	S	87.4	Confident	87.6	Confident	76 Å²	76	36.4 Å²	36.4	53%	0.531	21%	0.208	S	C	.	.	H	α-helix	trans	-60.5	-43.8	177.3	-177.1	0	0	0	0	113.1	S294 I298 D299 A300	S294-S296 PolarHBondContact O-N 2.78Å; S296-I298 VanDerWaalsContact C-N 3.33Å; S296-I298 PolarHBondContact O-N 3.47Å; S296-D299 PolarHBondContact O-N 2.63Å; S296-A300 WeakPolarHBondContact O-CB 3.35Å; S296-A300 PolarHBondContact O-N 2.75Å
297	Q	87	Confident	87.6	Confident	29 Å²	29	36 Å²	36	14%	0.136	21%	0.208	C	C	.	.	H	α-helix	trans	-65	-38.6	178.1	-72.6	169.3	-33.3	0	0	112.2	S294 K295 A300 M301 H706	S294-Q297 PolarHBondContact O-N 2.8Å; S294-Q297 VanDerWaalsContact O-N 3.13Å; S294-Q297 WeakPolarHBondContact OG-CG 3.41Å; S294-Q297 PolarHBondContact OG-N 2.77Å; S294-Q297 PolarHBondContact OG-OE1 2.92Å; K295-Q297 PolarHBondContact O-N 3.47Å; Q297-A300 PolarHBondContact O-N 3.19Å; Q297-M301 WeakPolarHBondContact O-CG 3.34Å; Q297-M301 PolarHBondContact O-N 2.65Å; Q297-H706 PolarHBondContact NE2-ND1 3.33Å
298	I	88.9	Confident	87.6	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-49.2	176.7	-68.1	170.2	0	0	0	110.1	A180 E181 Q184 R293 S294 K295 S296 A300 M301 S302	A180-I298 HydrophobicContact CB-CD1 4.1Å; A180-I298 VanDerWaalsContact O-CD1 3.23Å; A180-I298 WeakPolarHBondContact O-CD1 3.49Å; E181-I298 HydrophobicContact CB-CD1 4.47Å; E181-I298 HydrophobicContact CG-CD1 3.88Å; Q184-I298 HydrophobicContact CG-CG2 3.66Å; R293-I298 HydrophobicContact CB-CD1 4.05Å; R293-I298 HydrophobicContact CB-CG1 3.78Å; S294-I298 WeakPolarHBondContact O-CG1 3.28Å; S294-I298 PolarHBondContact O-N 3.29Å; S294-I298 VanDerWaalsContact O-N 3.12Å; K295-I298 WeakPolarHBondContact O-CB 3.42Å; K295-I298 PolarHBondContact O-N 3Å; S296-I298 VanDerWaalsContact C-N 3.33Å; S296-I298 PolarHBondContact O-N 3.47Å; I298-A300 PolarHBondContact O-N 3.49Å; I298-M301 PolarHBondContact O-N 2.88Å; I298-M301 VanDerWaalsContact O-N 3.15Å; I298-S302 WeakPolarHBondContact O-CB 3.48Å; I298-S302 PolarHBondContact O-N 3.49Å; I298-S302 PolarHBondContact O-OG 3.3Å
299	D	88.9	Confident	87.6	Confident	39 Å²	39	34.1 Å²	34.1	21%	0.209	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-26.5	179.5	-70.3	-15.6	0	0	0	111.3	K295 S296 K615	K295-D299 WeakPolarHBondContact CE-OD2 3.41Å; K295-D299 VanDerWaalsContact CG-OD2 3.3Å; K295-D299 WeakPolarHBondContact CG-OD2 3.29Å; K295-D299 WeakPolarHBondContact O-CB 3.41Å; K295-D299 PolarHBondContact O-N 2.81Å; S296-D299 PolarHBondContact O-N 2.63Å; D299-K615 WeakPolarHBondContact O-CE 3.24Å; D299-K615 PolarHBondContact O-NZ 3.34Å
300	A	87.3	Confident	87.7	Confident	3 Å²	3	33.6 Å²	33.6	3%	0.025	19%	0.192	C	C	.	.	H	α-helix	trans	-75.3	-36.9	174.8	0	0	0	0	0	112.8	S296 Q297 I298 G613 M649 L707	S296-A300 WeakPolarHBondContact O-CB 3.35Å; S296-A300 PolarHBondContact O-N 2.75Å; Q297-A300 PolarHBondContact O-N 3.19Å; I298-A300 PolarHBondContact O-N 3.49Å; A300-G613 CarbonylContact O-C 3.56Å; A300-G613 WeakPolarHBondContact O-CA 3.3Å; A300-M649 HydrophobicContact CB-CE 3.42Å; A300-M649 VanDerWaalsContact CB-CE 3.42Å; A300-L707 HydrophobicContact CB-CD1 4.01Å
301	M	87.3	Confident	87.7	Confident	25 Å²	25	34 Å²	34	12%	0.123	18%	0.183	C	C	.	.	H	α-helix	trans	-94.2	-19.8	-173.7	-66.9	-62.5	-55.3	0	0	115.2	Q297 I298 T612 G613 W642 M649	Q297-M301 WeakPolarHBondContact O-CG 3.34Å; Q297-M301 PolarHBondContact O-N 2.65Å; I298-M301 PolarHBondContact O-N 2.88Å; I298-M301 VanDerWaalsContact O-N 3.15Å; M301-T612 WeakPolarHBondContact CE-O 3.4Å; M301-T612 CarbonylContact O-C 3.58Å; M301-T612 VanDerWaalsContact O-C 3.26Å; M301-T612 VanDerWaalsContact O-O 3.12Å; M301-T612 PolarHBondContact O-OG1 2.59Å; M301-G613 WeakPolarHBondContact O-CA 3.16Å; M301-G613 PolarHBondContact O-N 3.07Å; M301-W642 HydrophobicContact CE-CZ3 4.32Å; M301-M649 HydrophobicContact CG-CE 4.05Å; M301-M649 HydrophobicContact SD-CB 3.69Å; M301-M649 HydrophobicContact SD-CE 3.33Å; M301-M649 WeakPolarHBondContact SD-CE 3.37Å; M301-M649 HydrophobicContact SD-SD 4.12Å
302	S	87	Confident	87.7	Confident	9 Å²	9	31.3 Å²	31.3	6%	0.063	17%	0.169	C	C	.	.			trans	-81.5	-177.3	-177	58.1	0	0	0	0	113.1	Y220 I298 G613 K615	Y220-S302 PolarHBondContact OH-OG 2.89Å; I298-S302 WeakPolarHBondContact O-CB 3.48Å; I298-S302 PolarHBondContact O-N 3.49Å; I298-S302 PolarHBondContact O-OG 3.3Å; S302-G613 CarbonylContact O-C 3.22Å; S302-G613 WeakPolarHBondContact O-CA 3.42Å; S302-K615 VanDerWaalsContact O-CE 3.31Å; S302-K615 WeakPolarHBondContact O-CE 3.5Å; S302-K615 PolarHBondContact O-NZ 3.19Å
303	G	83.8	Confident	87.7	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.01	17%	0.171	C	C	.	.			trans	104.7	-10	167.4	0	0	0	0	0	116.7	R595	G303-R595 WeakPolarHBondContact O-CD 3.5Å; G303-R595 PolarHBondContact O-NH1 3.18Å
304	S	88.1	Confident	87.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.			trans	-72.4	150.6	170	174.3	0	0	0	0	112.1	A306 G307 D594 T596	S304-A306 VanDerWaalsContact C-N 3.28Å; S304-A306 PolarHBondContact O-N 3.36Å; S304-A306 PolarHBondContact OG-N 2.77Å; S304-G307 WeakPolarHBondContact CB-O 3.19Å; S304-G307 PolarHBondContact O-N 2.93Å; S304-G307 VanDerWaalsContact O-N 3.16Å; S304-D594 PolarHBondContact OG-O 3.31Å; S304-T596 WeakPolarHBondContact OG-CG2 3.31Å
305	L	85.8	Confident	87.5	Confident	15 Å²	15	36.6 Å²	36.6	8%	0.079	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-35.2	173.5	-176.1	69.2	0	0	0	113.3	T242 F246 F251 G307 L573 D594	T242-L305 HydrophobicContact CG2-CD2 3.16Å; F246-L305 HydrophobicContact CD2-CD1 3.5Å; F246-L305 HydrophobicContact CD2-CG 3.86Å; F246-L305 WeakPolarHBondContact CD2-O 3.19Å; F246-L305 HydrophobicContact CE2-CD1 4.05Å; F246-L305 WeakPolarHBondContact CE2-O 3.28Å; F246-L305 HydrophobicContact CG-CD1 4.36Å; F251-L305 WeakPolarHBondContact CD2-O 3.33Å; F251-L305 VanDerWaalsContact CE2-O 3.29Å; F251-L305 WeakPolarHBondContact CE2-O 3.42Å; L305-G307 VanDerWaalsContact C-N 3.33Å; L305-L573 HydrophobicContact CD2-CB 3.99Å; L305-L573 HydrophobicContact CD2-CD1 3.89Å; L305-L573 HydrophobicContact CG-CD1 4.18Å; L305-D594 PolarHBondContact N-O 3.38Å
306	A	86.1	Confident	87.5	Confident	25 Å²	25	34 Å²	34	21%	0.207	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-0.4	180	0	0	0	0	0	113.6	V252 S304 L573	V252-A306 PolarHBondContact N-O 3.23Å; S304-A306 VanDerWaalsContact C-N 3.28Å; S304-A306 PolarHBondContact O-N 3.36Å; S304-A306 PolarHBondContact OG-N 2.77Å; A306-L573 HydrophobicContact CB-CD1 3.8Å
307	G	90.3	Very high	87.5	Confident	4 Å²	4	37 Å²	37	4%	0.041	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	80.4	-157.2	-167.6	0	0	0	0	0	112.9	F251 V252 S304 L305 T612	F251-G307 VanDerWaalsContact CE1-CA 3.43Å; F251-G307 VanDerWaalsContact CE2-N 3.28Å; V252-G307 WeakPolarHBondContact O-CA 3.5Å; S304-G307 WeakPolarHBondContact CB-O 3.19Å; S304-G307 PolarHBondContact O-N 2.93Å; S304-G307 VanDerWaalsContact O-N 3.16Å; L305-G307 VanDerWaalsContact C-N 3.33Å; G307-T612 WeakPolarHBondContact O-CG2 3.46Å
308	E	91.1	Very high	87.7	Confident	9 Å²	9	36 Å²	36	4%	0.042	19%	0.185	C	C	.	.	S	Bend	trans	-77.3	158.8	-177.2	-68	-174.6	-130.5	0	0	112.4	V252 R254 R293 K310	V252-E308 WeakPolarHBondContact CB-O 3.45Å; V252-E308 WeakPolarHBondContact CG1-O 3.41Å; V252-E308 PolarHBondContact O-N 3.32Å; R254-E308 VanDerWaalsContact CD-OE2 3.28Å; R254-E308 WeakPolarHBondContact CD-OE2 3.48Å; R254-E308 HydrophobicContact CG-CB 4.08Å; R293-E308 IonicContact CZ-OE1 3.86Å; R293-E308 IonicContact CZ-OE2 3.36Å; R293-E308 IonicContact NH1-OE1 2.77Å; R293-E308 PolarHBondContact NH1-OE1 2.79Å; R293-E308 IonicContact NH1-OE2 3.04Å; R293-E308 PolarHBondContact NH1-OE2 3.29Å; R293-E308 IonicContact NH2-OE1 3.32Å; R293-E308 PolarHBondContact NH2-OE1 3.28Å; R293-E308 IonicContact NH2-OE2 3.53Å; E308-K310 PolarHBondContact O-N 2.93Å
309	A	89.1	Confident	87.9	Confident	9 Å²	9	39.6 Å²	39.6	7%	0.074	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-66.2	136	172.3	0	0	0	0	0	111.5	I610 T612	A309-I610 HydrophobicContact CB-CB 3.83Å; A309-I610 HydrophobicContact CB-CG2 3.99Å; A309-I610 WeakPolarHBondContact CB-O 3.34Å; A309-T612 HydrophobicContact CB-CG2 4.19Å; A309-T612 PolarHBondContact N-OG1 2.6Å
310	K	88.6	Confident	87.9	Confident	87 Å²	87	39.8 Å²	39.8	38%	0.378	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-61.2	139.1	169.6	-63.3	-176.7	-178.2	177.5	0	109.8	V252 Y284 E308 E312 A313	V252-K310 HydrophobicContact CG1-CG 4.11Å; V252-K310 HydrophobicContact CG2-CG 3.88Å; Y284-K310 HydrophobicContact CD1-CD 4.31Å; Y284-K310 HydrophobicContact CD1-CG 4.19Å; Y284-K310 HydrophobicContact CE1-CD 3.99Å; Y284-K310 HydrophobicContact CE1-CG 3.96Å; E308-K310 PolarHBondContact O-N 2.93Å; K310-E312 VanDerWaalsContact C-N 3.25Å; K310-E312 PolarHBondContact O-N 3.45Å; K310-A313 HydrophobicContact CB-CB 4.39Å; K310-A313 VanDerWaalsContact O-CB 3.29Å; K310-A313 WeakPolarHBondContact O-CB 3.29Å; K310-A313 PolarHBondContact O-N 3.41Å
311	R	84.3	Confident	88	Confident	42 Å²	42	39.7 Å²	39.7	16%	0.158	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-60.5	-35.2	179.6	-156.2	-178.9	-42.6	165.8	23.2	112.7	D286 I287 A313 N314 K315 A701	D286-R311 IonicContact OD1-CZ 3.96Å; D286-R311 IonicContact OD1-NH2 3.91Å; D286-R311 PolarHBondContact OD1-NH2 3.24Å; D286-R311 IonicContact OD2-NE 2.89Å; D286-R311 IonicContact OD2-NH2 3.68Å; I287-R311 PolarHBondContact O-NH2 3.35Å; R311-A313 VanDerWaalsContact C-N 3.25Å; R311-A313 PolarHBondContact O-N 3.31Å; R311-N314 PolarHBondContact O-N 3.03Å; R311-K315 WeakPolarHBondContact O-CG 3.48Å; R311-A701 WeakPolarHBondContact CD-O 2.93Å; R311-A701 PolarHBondContact NH1-O 3.5Å
312	E	85.7	Confident	88.1	Confident	103 Å²	103	42.1 Å²	42.1	48%	0.481	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-63.6	-31.4	176.6	-60.3	80.5	-157.5	0	0	112.9	K310 N314 K315	K310-E312 VanDerWaalsContact C-N 3.25Å; K310-E312 PolarHBondContact O-N 3.45Å; E312-N314 PolarHBondContact O-N 2.93Å; E312-K315 PolarHBondContact O-N 3.18Å
313	A	86.9	Confident	88.2	Confident	30 Å²	30	42.2 Å²	42.2	25%	0.248	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-63.3	-30.7	-178.8	0	0	0	0	0	112	K310 R311 V608 I610	K310-A313 HydrophobicContact CB-CB 4.39Å; K310-A313 VanDerWaalsContact O-CB 3.29Å; K310-A313 WeakPolarHBondContact O-CB 3.29Å; K310-A313 PolarHBondContact O-N 3.41Å; R311-A313 VanDerWaalsContact C-N 3.25Å; R311-A313 PolarHBondContact O-N 3.31Å; A313-V608 CarbonylContact O-C 3.57Å; A313-I610 HydrophobicContact CB-CD1 4.13Å; A313-I610 HydrophobicContact CB-CG1 4.35Å
314	N	88.6	Confident	88.1	Confident	27 Å²	27	48.1 Å²	48.1	14%	0.144	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-97.1	1.3	-178.4	-69.2	-7.2	0	0	0	114.1	R311 E312 R609 I610 G647	R311-N314 PolarHBondContact O-N 3.03Å; E312-N314 PolarHBondContact O-N 2.93Å; N314-R609 PolarHBondContact O-NH1 3.5Å; N314-R609 VanDerWaalsContact O-NH1 3.12Å; N314-R609 WeakPolarHBondContact OD1-CA 3.28Å; N314-I610 PolarHBondContact ND2-O 2.87Å; N314-I610 PolarHBondContact OD1-N 3.09Å; N314-I610 PolarHBondContact OD1-O 3.14Å; N314-G647 PolarHBondContact ND2-O 2.88Å; N314-G647 VanDerWaalsContact ND2-O 3.09Å
315	K	86.3	Confident	87.5	Confident	136 Å²	136	54.7 Å²	54.7	59%	0.591	27%	0.265	S	S	*	.			trans	-83.6	-16.8	179.7	-77	176.7	-172	175.4	0	114.5	R311 E312	R311-K315 WeakPolarHBondContact O-CG 3.48Å; E312-K315 PolarHBondContact O-N 3.18Å
316	A	88.7	Confident	86.9	Confident	43 Å²	43	56.9 Å²	56.9	36%	0.355	28%	0.28	S	S	.	.	S	Bend	trans	-56.6	141.8	-177.9	0	0	0	0	0	110.9	V318 V608 R609	A316-V318 PolarHBondContact O-N 3.16Å; A316-V608 HydrophobicContact CB-CB 4.43Å; A316-R609 PolarHBondContact O-NH1 3.26Å; A316-R609 PolarHBondContact O-NH2 3.15Å
317	K	88.9	Confident	86	Confident	139 Å²	139	63.6 Å²	63.6	60%	0.604	31%	0.308	S	S	*	.			trans	-71.3	126.2	177.3	-174.4	172.8	179.5	173.5	0	109.9	Y319	K317-Y319 HydrophobicContact CD-CE1 4.42Å
318	V	91.1	Very high	85	Confident	6 Å²	6	66 Å²	66	4%	0.036	32%	0.319	C	S	.	.			trans	-114.2	130.1	177.1	175.8	0	0	0	0	109.7	A316 Y320 Y587 L599 V608 R609 I644	A316-V318 PolarHBondContact O-N 3.16Å; V318-Y320 PolarHBondContact O-N 2.74Å; V318-Y587 HydrophobicContact CG1-CD1 4.33Å; V318-Y587 HydrophobicContact CG1-CD2 4.35Å; V318-Y587 HydrophobicContact CG1-CE1 3.95Å; V318-Y587 HydrophobicContact CG1-CE2 4Å; V318-Y587 HydrophobicContact CG2-CE1 4.48Å; V318-L599 HydrophobicContact CG1-CD2 4.05Å; V318-V608 HydrophobicContact CG2-CB 3.99Å; V318-V608 HydrophobicContact CG2-CG2 3.85Å; V318-R609 HydrophobicContact CG2-CG 4.41Å; V318-I644 HydrophobicContact CB-CG2 4.41Å; V318-I644 HydrophobicContact CG1-CG2 3.61Å
319	Y	91.5	Very high	83.4	Confident	80 Å²	80	74.1 Å²	74.1	31%	0.314	36%	0.357	S	S	.	.			trans	-89.4	80.4	176.8	-61.3	-75.2	0	0	0	110.1	K317 G321 N366 P368 N584 Y587	K317-Y319 HydrophobicContact CD-CE1 4.42Å; Y319-G321 VanDerWaalsContact C-N 3.32Å; Y319-N366 CarbonylContact C-O 3.6Å; Y319-N366 VanDerWaalsContact C-O 3.22Å; Y319-N366 WeakPolarHBondContact CA-O 3.45Å; Y319-N366 WeakPolarHBondContact CB-O 3.21Å; Y319-P368 HydrophobicContact CG-CB 4.35Å; Y319-N584 PolarHBondContact O-ND2 3.04Å; Y319-Y587 WeakPolarHBondContact CD2-OH 3.23Å; Y319-Y587 PolarHBondContact N-OH 2.79Å; Y319-Y587 VanDerWaalsContact O-CE2 3.24Å; Y319-Y587 WeakPolarHBondContact O-CE2 3.11Å
320	Y	89.4	Confident	81.7	Confident	43 Å²	43	78.1 Å²	78.1	17%	0.169	38%	0.376	C	S	.	.			trans	-82.2	-8.3	-177.5	62	-99.4	0	0	0	113.7	V318 N366 H582 K628	V318-Y320 PolarHBondContact O-N 2.74Å; Y320-N366 HydrophobicContact CE1-CB 4.16Å; Y320-N366 HydrophobicContact CE2-CB 4.24Å; Y320-N366 VanDerWaalsContact CZ-ND2 3.3Å; Y320-N366 PolarHBondContact N-O 3.49Å; Y320-N366 PolarHBondContact OH-ND2 2.8Å; Y320-H582 PolarHBondContact O-CE1 2.86Å; Y320-H582 PolarHBondContact O-NE2 3.2Å; Y320-K628 HydrophobicContact CD2-CB 4.12Å; Y320-K628 HydrophobicContact CD2-CG 4.29Å; Y320-K628 HydrophobicContact CE2-CB 4.22Å; Y320-K628 HydrophobicContact CE2-CG 4.05Å
321	G	89.8	Confident	80	Confident	1 Å²	1	77.9 Å²	77.9	1%	0.01	38%	0.384	C	S	.	.	S	Bend	trans	-64.8	153.3	178.1	0	0	0	0	0	112.4	Y319 N366 P368 N584	Y319-G321 VanDerWaalsContact C-N 3.32Å; G321-N366 WeakPolarHBondContact CA-O 3.13Å; G321-N366 PolarHBondContact N-O 2.74Å; G321-P368 VanDerWaalsContact O-CD 3.3Å; G321-P368 WeakPolarHBondContact O-CD 3.37Å; G321-N584 PolarHBondContact O-ND2 3.25Å
322	L	89.8	Confident	78.2	Confident	75 Å²	75	83.2 Å²	83.2	39%	0.393	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-77.3	148.7	178.4	-58.2	178.1	0	0	0	111.2	A367 P583 P625	L322-A367 WeakPolarHBondContact O-CB 3.27Å; L322-P583 HydrophobicContact CD2-CB 3.65Å; L322-P583 HydrophobicContact CD2-CG 4.42Å; L322-P625 WeakPolarHBondContact CD1-O 3.41Å
323	L	87.7	Confident	76.4	Confident	12 Å²	12	82.1 Å²	82.1	6%	0.063	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-67.1	146.2	174.2	-71.1	168	0	0	0	110.4	E325 P368 Q370 L375 Y542 N584	L323-E325 PolarHBondContact O-N 3.06Å; L323-P368 HydrophobicContact CD2-CG 4.07Å; L323-Q370 HydrophobicContact CD2-CB 4.38Å; L323-L375 HydrophobicContact CD1-CD1 3.46Å; L323-L375 VanDerWaalsContact CD1-CD1 3.46Å; L323-Y542 HydrophobicContact CD1-CE2 3.76Å; L323-N584 HydrophobicContact CD1-CB 4.46Å; L323-N584 HydrophobicContact CG-CB 4.14Å
324	K	81.9	Confident	74.2	Confident	124 Å²	124	86.5 Å²	86.5	54%	0.539	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-62.6	123.9	175.7	-171.9	-173.1	174.5	-166.2	0	108.8	E327	K324-E327 IonicContact NZ-OE1 2.79Å; K324-E327 PolarHBondContact NZ-OE1 3.04Å
325	E	76	Confident	72.1	Confident	138 Å²	138	92.9 Å²	92.9	65%	0.645	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-69.9	139.2	172.9	-64.2	-169.1	157.4	0	0	110.6	L323	L323-E325 PolarHBondContact O-N 3.06Å
326	P	73.7	Confident	70	Confident	61 Å²	61	93.6 Å²	93.6	40%	0.396	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-66.7	141.3	174.1	24.4	-27.6	0	0	0	110.3	I328 L378	P326-I328 PolarHBondContact O-N 2.86Å; P326-L378 HydrophobicContact CG-CD1 3.41Å; P326-L378 VanDerWaalsContact CG-CD1 3.41Å
327	E	66.3	Low	67.7	Low	167 Å²	167	98.8 Å²	98.8	78%	0.78	49%	0.488	S	S	*	.			trans	-71.2	101.2	177.3	-69.3	168.3	-148.9	0	0	108.1	K324	K324-E327 IonicContact NZ-OE1 2.79Å; K324-E327 PolarHBondContact NZ-OE1 3.04Å
328	I	69.7	Low	65.3	Low	54 Å²	54	100.8 Å²	100.8	28%	0.277	50%	0.499	S	S	.	.			trans	-94.6	117	173.4	-59	170	0	0	0	106.6	P326 L330 K383 K386 I387	P326-I328 PolarHBondContact O-N 2.86Å; I328-L330 PolarHBondContact O-N 3.37Å; I328-L330 VanDerWaalsContact O-N 3.14Å; I328-K383 HydrophobicContact CD1-CB 4.37Å; I328-K383 HydrophobicContact CD1-CG 4.42Å; I328-K386 HydrophobicContact CD1-CB 3.92Å; I328-K386 HydrophobicContact CD1-CD 3.9Å; I328-I387 HydrophobicContact CG2-CD1 3.75Å; I328-I387 HydrophobicContact CG2-CG1 3.7Å
329	E	56.7	Low	62.9	Low	180 Å²	180	104.9 Å²	104.9	84%	0.841	53%	0.534	S	S	*	.			trans	-63.3	114.8	172.4	-67.3	-176.4	174.1	0	0	108.2	P331	E329-P331 VanDerWaalsContact O-CD 3.31Å; E329-P331 WeakPolarHBondContact O-CD 3.45Å
330	L	54.8	Low	60.4	Low	92 Å²	92	108.5 Å²	108.5	48%	0.482	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-72.1	120.7	170.3	-69.8	169.7	0	0	0	107	I328 L332 I387	I328-L330 PolarHBondContact O-N 3.37Å; I328-L330 VanDerWaalsContact O-N 3.14Å; L330-L332 PolarHBondContact O-N 2.76Å; L330-L332 VanDerWaalsContact O-N 3.11Å; L330-I387 HydrophobicContact CD2-CB 4.32Å; L330-I387 HydrophobicContact CD2-CG1 4.13Å; L330-I387 HydrophobicContact CD2-CG2 3.8Å
331	P	52	Low	58	Low	83 Å²	83	114 Å²	114	54%	0.539	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-56.1	121.7	160.8	-16.2	30.1	0	0	0	106.2	E329 D333	E329-P331 VanDerWaalsContact O-CD 3.31Å; E329-P331 WeakPolarHBondContact O-CD 3.45Å; P331-D333 PolarHBondContact O-N 3.33Å; P331-D333 VanDerWaalsContact O-N 3.14Å
332	L	46.5	Very low	55.7	Low	153 Å²	153	123 Å²	123	80%	0.801	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-60.3	118.9	165.3	-69.8	167.6	0	0	0	104.9	L330 D334	L330-L332 PolarHBondContact O-N 2.76Å; L330-L332 VanDerWaalsContact O-N 3.11Å; L332-D334 PolarHBondContact O-N 2.98Å
333	D	47.6	Very low	53.3	Low	80 Å²	80	129 Å²	129	43%	0.428	65%	0.654	S	S	.	*			trans	-63.5	108.7	172.5	-70.5	-26.4	0	0	0	106.4	P331 E335 K391	P331-D333 PolarHBondContact O-N 3.33Å; P331-D333 VanDerWaalsContact O-N 3.14Å; D333-E335 HydrophobicContact CB-CB 4.48Å; D333-E335 PolarHBondContact O-N 2.98Å; D333-K391 IonicContact OD1-NZ 2.65Å; D333-K391 PolarHBondContact OD1-NZ 3.42Å; D333-K391 WeakPolarHBondContact OD2-CE 3.22Å; D333-K391 IonicContact OD2-NZ 2.78Å; D333-K391 PolarHBondContact OD2-NZ 2.82Å
334	D	42.2	Very low	51.4	Low	122 Å²	122	131.9 Å²	131.9	65%	0.652	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-67	6	171.4	-68.5	-36.9	0	0	0	112	L332 D336 E337	L332-D334 PolarHBondContact O-N 2.98Å; D334-D336 PolarHBondContact O-N 2.7Å; D334-E337 PolarHBondContact O-N 3.07Å; D334-E337 VanDerWaalsContact O-N 3.11Å
335	E	43.4	Very low	49.1	Very low	162 Å²	162	135.7 Å²	135.7	76%	0.757	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-68.2	-14.4	178.8	-67.2	-171.9	166.7	0	0	113.5	D333	D333-E335 HydrophobicContact CB-CB 4.48Å; D333-E335 PolarHBondContact O-N 2.98Å
336	D	42.9	Very low	47.1	Very low	150 Å²	150	135.2 Å²	135.2	80%	0.802	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-86.5	-6.7	172.4	-80.6	-21.6	0	0	0	113.3	D334	D334-D336 PolarHBondContact O-N 2.7Å
337	E	40.6	Very low	45.4	Very low	153 Å²	153	142.5 Å²	142.5	72%	0.715	74%	0.737	S	S	*	*	S	Bend	trans	-90.7	-13.9	178	-72.6	-152	162	0	0	114.3	D334 A339	D334-E337 PolarHBondContact O-N 3.07Å; D334-E337 VanDerWaalsContact O-N 3.11Å; E337-A339 VanDerWaalsContact C-N 3.32Å; E337-A339 PolarHBondContact O-N 3.36Å
338	E	36.9	Very low	43.9	Very low	181 Å²	181	144 Å²	144	85%	0.846	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-6.7	179.4	-72.8	-166.4	159.1	0	0	114.4
339	A	40.8	Very low	42.4	Very low	92 Å²	92	151.6 Å²	151.6	76%	0.76	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-2.5	-179.2	0	0	0	0	0	115.5	E337	E337-A339 VanDerWaalsContact C-N 3.32Å; E337-A339 PolarHBondContact O-N 3.36Å
340	E	39.3	Very low	41.2	Very low	156 Å²	156	151.3 Å²	151.3	73%	0.729	77%	0.768	S	S	*	*			trans	-120.6	28.5	-177.5	-84.6	-164.5	176.7	0	0	114.7	E342	E340-E342 PolarHBondContact O-N 3.11Å
341	N	39	Very low	40.1	Very low	158 Å²	158	152.5 Å²	152.5	85%	0.845	78%	0.781	S	S	*	*			trans	-94.9	60.9	164.9	-82.2	-27.4	0	0	0	111.8
342	E	41.4	Very low	39.1	Very low	190 Å²	190	158 Å²	158	89%	0.888	80%	0.797	S	S	*	*	S	Bend	trans	-112.4	134.3	150.1	-86.6	-160.5	163.7	0	0	109.5	E340	E340-E342 PolarHBondContact O-N 3.11Å
343	E	39.7	Very low	38.3	Very low	201 Å²	201	160.3 Å²	160.3	94%	0.939	80%	0.8	S	S	*	*			trans	-56.4	135.5	-161.3	-61.4	176.6	137.5	0	0	115.9
344	G	47.8	Very low	37.4	Very low	73 Å²	73	163 Å²	163	75%	0.753	81%	0.814	S	S	*	*			trans	85.3	67.6	137.3	0	0	0	0	0	119.4
345	K	33.5	Very low	36.9	Very low	203 Å²	203	161.3 Å²	161.3	88%	0.883	81%	0.812	S	S	*	*			trans	-141.9	144.4	152.7	-74.3	-173.2	-177.7	162	0	112.6
346	P	35.4	Very low	36.6	Very low	128 Å²	128	160.8 Å²	160.8	83%	0.831	82%	0.82	S	S	*	*			trans	-72.4	137.5	-168.7	27.4	-33	0	0	0	113.2	K348	P346-K348 PolarHBondContact O-N 2.99Å
347	K	36.1	Very low	36.3	Very low	215 Å²	215	157.2 Å²	157.2	94%	0.935	82%	0.819	S	S	*	*			trans	-52.7	103.8	-178.8	-65.6	-176.6	177	-174.8	0	112.4
348	K	36.4	Very low	36.1	Very low	198 Å²	198	153.8 Å²	153.8	86%	0.861	81%	0.812	S	S	*	*			trans	-78.5	120.5	158.9	-99.5	-179.7	175.4	176.8	0	108.3	P346 K350	P346-K348 PolarHBondContact O-N 2.99Å; K348-K350 PolarHBondContact O-N 3.5Å
349	K	37.6	Very low	36.1	Very low	213 Å²	213	155 Å²	155	93%	0.926	82%	0.815	S	S	*	*			trans	-49.2	105.6	168.5	-104.8	178.1	172	176.5	0	109.3
350	K	32.1	Very low	36	Very low	174 Å²	174	155.5 Å²	155.5	76%	0.757	81%	0.812	S	S	*	*			trans	-69.9	137	164.8	-79.4	178.6	179.3	169.1	0	107.9	K348	K348-K350 PolarHBondContact O-N 3.5Å
351	P	31.3	Very low	36.3	Very low	117 Å²	117	158.5 Å²	158.5	76%	0.76	82%	0.823	S	S	*	*			trans	-63.3	143.3	175.2	27.5	-32	0	0	0	109.1	K353	P351-K353 PolarHBondContact O-N 3.24Å
352	K	29.8	Very low	37	Very low	199 Å²	199	159.4 Å²	159.4	87%	0.865	82%	0.819	S	S	*	*			trans	-45.3	109.9	170.6	-93.7	179.9	168.6	-178.5	0	108.5	D354	K352-D354 PolarHBondContact O-N 3.18Å; K352-D354 VanDerWaalsContact O-N 3.13Å
353	K	31.3	Very low	38.1	Very low	201 Å²	201	156.8 Å²	156.8	87%	0.874	81%	0.807	S	S	*	*			trans	-70.5	102.5	166.4	-173	178.2	179.2	-174.8	0	104.8	P351 S355	P351-K353 PolarHBondContact O-N 3.24Å; K353-S355 PolarHBondContact O-N 3.32Å
354	D	27.6	Very low	39.8	Very low	136 Å²	136	150.6 Å²	150.6	73%	0.727	78%	0.781	S	S	*	*			trans	-50.5	130.1	177.8	-75	-43.1	0	0	0	109.4	K352 T356	K352-D354 PolarHBondContact O-N 3.18Å; K352-D354 VanDerWaalsContact O-N 3.13Å; D354-T356 PolarHBondContact O-N 3.42Å
355	S	32.7	Very low	41.5	Very low	87 Å²	87	151.9 Å²	151.9	61%	0.608	78%	0.776	S	S	*	*			trans	-55.4	105.3	172.7	60.7	0	0	0	0	108.5	K353 G357	K353-S355 PolarHBondContact O-N 3.32Å; S355-G357 PolarHBondContact O-N 3.26Å
356	T	35.9	Very low	44	Very low	151 Å²	151	144.4 Å²	144.4	93%	0.926	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	76.6	167.2	40.5	0	0	0	0	108.3	D354	D354-T356 PolarHBondContact O-N 3.42Å
357	G	38.2	Very low	46.5	Very low	75 Å²	75	139 Å²	139	77%	0.773	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-168.6	-6.1	-179.9	0	0	0	0	0	113.7	S355	S355-G357 PolarHBondContact O-N 3.26Å
358	S	36.1	Very low	49	Very low	82 Å²	82	129 Å²	129	57%	0.573	67%	0.668	S	S	*	*			trans	-110.4	67.1	-178.4	60.6	0	0	0	0	112.7
359	K	36.9	Very low	51.4	Low	207 Å²	207	122.5 Å²	122.5	90%	0.9	65%	0.648	S	S	*	*			trans	-132.1	68.1	161.8	-79	-166.5	179.5	178.5	0	111.9
360	S	38.8	Very low	53.6	Low	101 Å²	101	117.8 Å²	117.8	71%	0.706	63%	0.629	S	S	*	*			trans	-177.9	79.3	134	57.6	0	0	0	0	110.9	K362	S360-K362 PolarHBondContact O-N 3.47Å; S360-K362 VanDerWaalsContact O-N 3.16Å
361	K	45.3	Very low	56.1	Low	219 Å²	219	115.7 Å²	115.7	95%	0.952	63%	0.631	S	S	*	*			trans	-68.5	-2.2	166.3	-80.7	-174.5	176.1	-178.9	0	113.3
362	K	52.5	Low	58.9	Low	177 Å²	177	112.3 Å²	112.3	77%	0.77	60%	0.603	S	S	*	*	S	Bend	trans	-102	109.7	178.5	-157	173.2	-175.3	-179.1	0	107.8	S360 D364	S360-K362 PolarHBondContact O-N 3.47Å; S360-K362 VanDerWaalsContact O-N 3.16Å; K362-D364 PolarHBondContact O-N 2.92Å
363	Q	64.4	Low	61.8	Low	135 Å²	135	103.1 Å²	103.1	63%	0.631	56%	0.564	S	S	*	*			trans	-56.6	126.7	170.8	-170.5	167.5	12.6	0	0	107.8	P365	Q363-P365 WeakPolarHBondContact O-CD 3.2Å
364	D	76.6	Confident	64.6	Low	71 Å²	71	98.2 Å²	98.2	38%	0.38	55%	0.553	S	S	.	*			trans	-56.6	121.4	176.6	-179.6	-5.8	0	0	0	108.3	K362 N366 A367	K362-D364 PolarHBondContact O-N 2.92Å; D364-N366 PolarHBondContact O-N 2.69Å; D364-N366 PolarHBondContact OD1-N 3.18Å; D364-A367 HydrophobicContact CB-CB 4.03Å; D364-A367 WeakPolarHBondContact O-CB 3.41Å; D364-A367 PolarHBondContact O-N 3.03Å
365	P	82.3	Confident	67.5	Low	101 Å²	101	93.5 Å²	93.5	66%	0.656	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.1	177.9	-25.3	34.6	0	0	0	113.9	Q363	Q363-P365 WeakPolarHBondContact O-CD 3.2Å
366	N	85.9	Confident	70.2	Confident	45 Å²	45	92 Å²	92	24%	0.241	52%	0.515	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	1.1	180	-66.7	-21.6	0	0	0	113.2	Y319 Y320 G321 D364	Y319-N366 CarbonylContact C-O 3.6Å; Y319-N366 VanDerWaalsContact C-O 3.22Å; Y319-N366 WeakPolarHBondContact CA-O 3.45Å; Y319-N366 WeakPolarHBondContact CB-O 3.21Å; Y320-N366 HydrophobicContact CE1-CB 4.16Å; Y320-N366 HydrophobicContact CE2-CB 4.24Å; Y320-N366 VanDerWaalsContact CZ-ND2 3.3Å; Y320-N366 PolarHBondContact N-O 3.49Å; Y320-N366 PolarHBondContact OH-ND2 2.8Å; G321-N366 WeakPolarHBondContact CA-O 3.13Å; G321-N366 PolarHBondContact N-O 2.74Å; D364-N366 PolarHBondContact O-N 2.69Å; D364-N366 PolarHBondContact OD1-N 3.18Å
367	A	88.9	Confident	72.5	Confident	14 Å²	14	93.5 Å²	93.5	12%	0.116	51%	0.512	C	S	.	.	S	Bend	trans	-77.9	135.7	170.4	0	0	0	0	0	111.2	L322 D364	L322-A367 WeakPolarHBondContact O-CB 3.27Å; D364-A367 HydrophobicContact CB-CB 4.03Å; D364-A367 WeakPolarHBondContact O-CB 3.41Å; D364-A367 PolarHBondContact O-N 3.03Å
368	P	88.8	Confident	74.7	Confident	5 Å²	5	92.7 Å²	92.7	3%	0.032	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-69	160.5	173.7	28.8	-31.2	0	0	0	111.2	Y319 G321 L323 N584 N586	Y319-P368 HydrophobicContact CG-CB 4.35Å; G321-P368 VanDerWaalsContact O-CD 3.3Å; G321-P368 WeakPolarHBondContact O-CD 3.37Å; L323-P368 HydrophobicContact CD2-CG 4.07Å; P368-N584 HydrophobicContact CG-CB 4.46Å; P368-N586 HydrophobicContact CG-CB 4.39Å; P368-N586 WeakPolarHBondContact CG-ND2 3.18Å
369	S	86.1	Confident	77.1	Confident	62 Å²	62	94.3 Å²	94.3	43%	0.434	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-66.2	142.5	169.9	59.8	0	0	0	0	110.4	T371 R372	S369-T371 PolarHBondContact O-N 3.21Å; S369-R372 WeakPolarHBondContact O-CB 3.4Å; S369-R372 PolarHBondContact O-N 3.12Å; S369-R372 PolarHBondContact OG-N 3.48Å
370	Q	83.3	Confident	79.3	Confident	115 Å²	115	89.8 Å²	89.8	54%	0.537	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.3	179.3	-168.8	166.7	6.7	0	0	112.8	L323	L323-Q370 HydrophobicContact CD2-CB 4.38Å
371	T	86.3	Confident	81.4	Confident	130 Å²	130	88 Å²	88	80%	0.798	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	1	177	56	0	0	0	0	113.9	S369 I373	S369-T371 PolarHBondContact O-N 3.21Å; T371-I373 VanDerWaalsContact C-N 3.29Å; T371-I373 PolarHBondContact O-N 3.1Å
372	R	89.4	Confident	83.4	Confident	45 Å²	45	79.3 Å²	79.3	17%	0.17	42%	0.423	C	S	.	.	S	Bend	trans	-60.4	-40.8	-179.2	-177.4	173.2	-175.7	-96.6	-0.7	112.1	S369 N586 D601 L603	S369-R372 WeakPolarHBondContact O-CB 3.4Å; S369-R372 PolarHBondContact O-N 3.12Å; S369-R372 PolarHBondContact OG-N 3.48Å; R372-N586 WeakPolarHBondContact CD-OD1 3.45Å; R372-N586 PolarHBondContact NH1-OD1 3.08Å; R372-D601 IonicContact CZ-OD1 3.87Å; R372-D601 IonicContact NH1-OD1 3.34Å; R372-D601 PolarHBondContact NH1-OD1 2.73Å; R372-D601 IonicContact NH2-OD1 3.98Å; R372-D601 PolarHBondContact NH2-OD1 2.69Å; R372-D601 IonicContact NH2-OD2 2.7Å; R372-D601 PolarHBondContact NH2-OD2 2.86Å; R372-L603 HydrophobicContact CG-CD2 4.12Å
373	I	90.6	Very high	85	Confident	6 Å²	6	74.7 Å²	74.7	3%	0.031	40%	0.403	C	S	.	.	S	Bend	trans	-125.9	145.5	171.2	59.5	170.1	0	0	0	108.3	T371 L375 A585 V602 L603	T371-I373 VanDerWaalsContact C-N 3.29Å; T371-I373 PolarHBondContact O-N 3.1Å; I373-L375 HydrophobicContact CD1-CD2 3.73Å; I373-L375 HydrophobicContact CD1-CG 4.36Å; I373-L375 HydrophobicContact CG1-CD2 3.95Å; I373-L375 HydrophobicContact CG1-CG 4.05Å; I373-L375 PolarHBondContact O-N 3Å; I373-A585 HydrophobicContact CD1-CB 4.31Å; I373-A585 WeakPolarHBondContact CD1-O 3.38Å; I373-V602 HydrophobicContact CD1-CG1 4.45Å; I373-V602 HydrophobicContact CG2-CG1 4.22Å; I373-L603 HydrophobicContact CG2-CB 4.3Å
374	P	90.5	Very high	86	Confident	99 Å²	99	73.4 Å²	73.4	64%	0.643	40%	0.4	S	S	*	.			trans	-72.1	103.4	179.1	21.2	-20.9	0	0	0	109.4	Y545	P374-Y545 WeakPolarHBondContact CG-OH 3.44Å; P374-Y545 WeakPolarHBondContact O-CE2 3.44Å; P374-Y545 PolarHBondContact O-OH 2.97Å
375	L	89.1	Confident	86.5	Confident	37 Å²	37	71.1 Å²	71.1	19%	0.194	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-93.9	147.1	176.5	-66.2	175.9	0	0	0	110.9	L323 I373 Y542 A585	L323-L375 HydrophobicContact CD1-CD1 3.46Å; L323-L375 VanDerWaalsContact CD1-CD1 3.46Å; I373-L375 HydrophobicContact CD1-CD2 3.73Å; I373-L375 HydrophobicContact CD1-CG 4.36Å; I373-L375 HydrophobicContact CG1-CD2 3.95Å; I373-L375 HydrophobicContact CG1-CG 4.05Å; I373-L375 PolarHBondContact O-N 3Å; L375-Y542 HydrophobicContact CD1-CD2 4.27Å; L375-Y542 HydrophobicContact CD1-CE2 4.44Å; L375-Y542 HydrophobicContact CD2-CD2 4.21Å; L375-A585 HydrophobicContact CD2-CB 4.33Å
376	P	87.4	Confident	86.7	Confident	55 Å²	55	69.1 Å²	69.1	36%	0.357	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-59.1	143.8	173.7	-22.1	33.1	0	0	0	112.2	Y544	P376-Y544 HydrophobicContact CG-CD1 4.33Å; P376-Y544 HydrophobicContact CG-CG 3.86Å
377	E	85.1	Confident	86.8	Confident	183 Å²	183	68.1 Å²	68.1	86%	0.855	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-70.8	146.4	168.5	-64.5	-172.7	174.1	0	0	110.6	K379	E377-K379 PolarHBondContact O-N 3.19Å
378	L	83.4	Confident	86.7	Confident	58 Å²	58	72.9 Å²	72.9	30%	0.304	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-73.9	119.8	-179.9	-79	153.9	0	0	0	110.8	P326 D382 K383 K386	P326-L378 HydrophobicContact CG-CD1 3.41Å; P326-L378 VanDerWaalsContact CG-CD1 3.41Å; L378-D382 HydrophobicContact CD2-CB 3.76Å; L378-K383 HydrophobicContact CB-CG 4.44Å; L378-K386 HydrophobicContact CD2-CD 4.19Å
379	K	86.5	Confident	86.6	Confident	116 Å²	116	75.6 Å²	75.6	50%	0.504	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-70.7	160.6	172	-59.4	173.6	-175.3	170.6	0	110.3	E377 S381 D382 K383	E377-K379 PolarHBondContact O-N 3.19Å; K379-S381 PolarHBondContact O-N 2.88Å; K379-D382 WeakPolarHBondContact CB-OD2 3.37Å; K379-D382 PolarHBondContact N-OD2 3.22Å; K379-D382 WeakPolarHBondContact O-CB 3.46Å; K379-D382 PolarHBondContact O-N 3.24Å; K379-K383 PolarHBondContact O-N 2.96Å
380	D	84.3	Confident	86.6	Confident	112 Å²	112	76.6 Å²	76.6	60%	0.599	39%	0.393	S	S	*	.	H	α-helix	trans	-64	-31.8	178	-63.9	-30.7	0	0	0	112.4	D382 K383 L384	D380-D382 VanDerWaalsContact C-N 3.3Å; D380-D382 PolarHBondContact O-N 2.96Å; D380-K383 PolarHBondContact O-N 2.72Å; D380-K383 IonicContact OD1-NZ 3.18Å; D380-K383 PolarHBondContact OD1-NZ 3.01Å; D380-L384 WeakPolarHBondContact O-CG 3.31Å; D380-L384 PolarHBondContact O-N 2.77Å
381	S	83.5	Confident	86.8	Confident	63 Å²	63	75 Å²	75	44%	0.441	38%	0.384	S	S	.	.	H	α-helix	trans	-58.4	-40.9	169.7	55.2	0	0	0	0	112.8	K379 L384 D385	K379-S381 PolarHBondContact O-N 2.88Å; S381-L384 PolarHBondContact O-N 2.8Å; S381-D385 PolarHBondContact O-N 3.12Å
382	D	85.9	Confident	86.9	Confident	36 Å²	36	71.3 Å²	71.3	19%	0.193	36%	0.358	C	S	.	.	H	α-helix	trans	-74.9	-34.4	-176.5	-50.9	-20.4	0	0	0	110.1	L378 K379 D380 D385 K386	L378-D382 HydrophobicContact CD2-CB 3.76Å; K379-D382 WeakPolarHBondContact CB-OD2 3.37Å; K379-D382 PolarHBondContact N-OD2 3.22Å; K379-D382 WeakPolarHBondContact O-CB 3.46Å; K379-D382 PolarHBondContact O-N 3.24Å; D380-D382 VanDerWaalsContact C-N 3.3Å; D380-D382 PolarHBondContact O-N 2.96Å; D382-D385 PolarHBondContact O-N 3.37Å; D382-K386 WeakPolarHBondContact O-CB 3.48Å; D382-K386 VanDerWaalsContact O-CG 3.3Å; D382-K386 WeakPolarHBondContact O-CG 3.28Å; D382-K386 PolarHBondContact O-N 3.18Å
383	K	86.3	Confident	86.6	Confident	80 Å²	80	70.6 Å²	70.6	35%	0.348	36%	0.36	S	S	.	.	H	α-helix	trans	-62.1	-44.8	171.1	-64.1	174.1	-165.6	158.8	0	110.9	I328 L378 K379 D380 K386 I387	I328-K383 HydrophobicContact CD1-CB 4.37Å; I328-K383 HydrophobicContact CD1-CG 4.42Å; L378-K383 HydrophobicContact CB-CG 4.44Å; K379-K383 PolarHBondContact O-N 2.96Å; D380-K383 PolarHBondContact O-N 2.72Å; D380-K383 IonicContact OD1-NZ 3.18Å; D380-K383 PolarHBondContact OD1-NZ 3.01Å; K383-K386 WeakPolarHBondContact O-CB 3.43Å; K383-K386 PolarHBondContact O-N 2.86Å; K383-I387 VanDerWaalsContact O-CG1 3.32Å; K383-I387 WeakPolarHBondContact O-CG1 3.23Å; K383-I387 PolarHBondContact O-N 3.07Å
384	L	86.4	Confident	86.5	Confident	109 Å²	109	76.1 Å²	76.1	57%	0.571	39%	0.394	S	S	*	.	H	α-helix	trans	-61.9	-44.8	176.3	-73.4	171.5	0	0	0	112.1	D380 S381 K386 I387 M388	D380-L384 WeakPolarHBondContact O-CG 3.31Å; D380-L384 PolarHBondContact O-N 2.77Å; S381-L384 PolarHBondContact O-N 2.8Å; L384-K386 VanDerWaalsContact C-N 3.3Å; L384-K386 PolarHBondContact O-N 3.38Å; L384-I387 WeakPolarHBondContact O-CB 3.33Å; L384-I387 PolarHBondContact O-N 3.26Å; L384-M388 WeakPolarHBondContact O-CG 3.21Å; L384-M388 PolarHBondContact O-N 2.69Å
385	D	86.3	Confident	86.4	Confident	23 Å²	23	78.3 Å²	78.3	12%	0.123	39%	0.394	C	S	.	.	H	α-helix	trans	-64.3	-36.4	176.8	-170.6	61	0	0	0	112.3	S381 D382 M388 Y389 R501 R733	S381-D385 PolarHBondContact O-N 3.12Å; D382-D385 PolarHBondContact O-N 3.37Å; D385-M388 WeakPolarHBondContact O-CB 3.35Å; D385-M388 PolarHBondContact O-N 3.34Å; D385-Y389 WeakPolarHBondContact O-CB 3.26Å; D385-Y389 PolarHBondContact O-N 3.35Å; D385-R501 IonicContact OD1-CZ 3.53Å; D385-R501 IonicContact OD1-NH1 3.38Å; D385-R501 PolarHBondContact OD1-NH1 2.89Å; D385-R501 IonicContact OD1-NH2 3.48Å; D385-R501 PolarHBondContact OD1-NH2 3.2Å; D385-R501 IonicContact OD2-NH2 2.8Å; D385-R733 IonicContact OD1-CZ 3.21Å; D385-R733 IonicContact OD1-NH1 2.84Å; D385-R733 PolarHBondContact OD1-NH1 3.37Å; D385-R733 IonicContact OD1-NH2 2.86Å; D385-R733 PolarHBondContact OD1-NH2 2.99Å; D385-R733 IonicContact OD2-CZ 2.96Å; D385-R733 IonicContact OD2-NH1 3.48Å; D385-R733 IonicContact OD2-NH2 2.72Å; D385-R733 PolarHBondContact OD2-NH2 2.89Å
386	K	86.9	Confident	86.3	Confident	59 Å²	59	78.5 Å²	78.5	26%	0.257	39%	0.392	S	S	.	.	H	α-helix	trans	-63.7	-41.4	172	-77.5	-178.4	177.3	-167.8	0	112.5	I328 L378 D382 K383 L384 M388 Y389 M390	I328-K386 HydrophobicContact CD1-CB 3.92Å; I328-K386 HydrophobicContact CD1-CD 3.9Å; L378-K386 HydrophobicContact CD2-CD 4.19Å; D382-K386 WeakPolarHBondContact O-CB 3.48Å; D382-K386 VanDerWaalsContact O-CG 3.3Å; D382-K386 WeakPolarHBondContact O-CG 3.28Å; D382-K386 PolarHBondContact O-N 3.18Å; K383-K386 WeakPolarHBondContact O-CB 3.43Å; K383-K386 PolarHBondContact O-N 2.86Å; L384-K386 VanDerWaalsContact C-N 3.3Å; L384-K386 PolarHBondContact O-N 3.38Å; K386-M388 VanDerWaalsContact C-N 3.31Å; K386-M388 PolarHBondContact O-N 3.19Å; K386-Y389 WeakPolarHBondContact O-CB 3.46Å; K386-Y389 PolarHBondContact O-N 2.92Å; K386-M390 VanDerWaalsContact O-CG 3.3Å; K386-M390 WeakPolarHBondContact O-CG 3.43Å; K386-M390 PolarHBondContact O-N 3.26Å
387	I	87.3	Confident	86.3	Confident	24 Å²	24	81 Å²	81	12%	0.123	40%	0.401	C	S	.	.	H	α-helix	trans	-60.2	-45.2	174	-68.7	166.5	0	0	0	109.9	I328 L330 K383 L384 Y389 M390 K391	I328-I387 HydrophobicContact CG2-CD1 3.75Å; I328-I387 HydrophobicContact CG2-CG1 3.7Å; L330-I387 HydrophobicContact CD2-CB 4.32Å; L330-I387 HydrophobicContact CD2-CG1 4.13Å; L330-I387 HydrophobicContact CD2-CG2 3.8Å; K383-I387 VanDerWaalsContact O-CG1 3.32Å; K383-I387 WeakPolarHBondContact O-CG1 3.23Å; K383-I387 PolarHBondContact O-N 3.07Å; L384-I387 WeakPolarHBondContact O-CB 3.33Å; L384-I387 PolarHBondContact O-N 3.26Å; I387-Y389 PolarHBondContact O-N 2.95Å; I387-M390 PolarHBondContact O-N 3Å; I387-K391 WeakPolarHBondContact O-CG 3.45Å; I387-K391 PolarHBondContact O-N 2.79Å
388	M	86.6	Confident	86.4	Confident	114 Å²	114	81 Å²	81	56%	0.562	39%	0.393	S	S	*	.	H	α-helix	trans	-60.5	-45.2	174.9	-69.3	-172.8	174.8	0	0	111.7	L384 D385 K386 M390 K391 E392	L384-M388 WeakPolarHBondContact O-CG 3.21Å; L384-M388 PolarHBondContact O-N 2.69Å; D385-M388 WeakPolarHBondContact O-CB 3.35Å; D385-M388 PolarHBondContact O-N 3.34Å; K386-M388 VanDerWaalsContact C-N 3.31Å; K386-M388 PolarHBondContact O-N 3.19Å; M388-M390 VanDerWaalsContact C-N 3.29Å; M388-M390 PolarHBondContact O-N 3.22Å; M388-K391 PolarHBondContact O-N 3.17Å; M388-E392 WeakPolarHBondContact O-CG 3.39Å; M388-E392 PolarHBondContact O-N 2.81Å
389	Y	86.9	Confident	86.7	Confident	62 Å²	62	78.8 Å²	78.8	24%	0.243	38%	0.381	C	S	.	.	H	α-helix	trans	-55.1	-43.7	174.2	176.7	-87.3	0	0	0	111.8	D385 K386 I387 E392 S393 R396 R733	D385-Y389 WeakPolarHBondContact O-CB 3.26Å; D385-Y389 PolarHBondContact O-N 3.35Å; K386-Y389 WeakPolarHBondContact O-CB 3.46Å; K386-Y389 PolarHBondContact O-N 2.92Å; I387-Y389 PolarHBondContact O-N 2.95Å; Y389-E392 PolarHBondContact O-N 2.91Å; Y389-S393 WeakPolarHBondContact O-CB 3.33Å; Y389-S393 PolarHBondContact O-N 2.81Å; Y389-S393 PolarHBondContact O-OG 2.85Å; Y389-R396 PolarHBondContact OH-NH2 3.03Å; Y389-R733 HydrophobicContact CD2-CG 3.86Å; Y389-R733 HydrophobicContact CE2-CG 4.1Å
390	M	86.4	Confident	86.6	Confident	83 Å²	83	73.9 Å²	73.9	41%	0.409	36%	0.364	S	S	.	.	H	α-helix	trans	-67.2	-39.1	177.3	-68.6	-61.5	-72.6	0	0	112.8	K386 I387 M388 E392 S393 T394	K386-M390 VanDerWaalsContact O-CG 3.3Å; K386-M390 WeakPolarHBondContact O-CG 3.43Å; K386-M390 PolarHBondContact O-N 3.26Å; I387-M390 PolarHBondContact O-N 3Å; M388-M390 VanDerWaalsContact C-N 3.29Å; M388-M390 PolarHBondContact O-N 3.22Å; M390-E392 VanDerWaalsContact C-N 3.32Å; M390-E392 PolarHBondContact O-N 3.09Å; M390-S393 WeakPolarHBondContact CA-OG 3.48Å; M390-S393 PolarHBondContact O-N 2.94Å; M390-S393 PolarHBondContact O-OG 3.17Å; M390-T394 PolarHBondContact O-N 3.47Å; M390-T394 PolarHBondContact O-OG1 3.22Å
391	K	88.4	Confident	86.7	Confident	81 Å²	81	71.8 Å²	71.8	35%	0.352	36%	0.357	S	S	.	.	H	α-helix	trans	-63.4	-39.9	173.5	-71.6	-173.8	-179.3	-165.9	0	111.2	D333 I387 M388	D333-K391 IonicContact OD1-NZ 2.65Å; D333-K391 PolarHBondContact OD1-NZ 3.42Å; D333-K391 WeakPolarHBondContact OD2-CE 3.22Å; D333-K391 IonicContact OD2-NZ 2.78Å; D333-K391 PolarHBondContact OD2-NZ 2.82Å; I387-K391 WeakPolarHBondContact O-CG 3.45Å; I387-K391 PolarHBondContact O-N 2.79Å; M388-K391 PolarHBondContact O-N 3.17Å
392	E	86.9	Confident	86.8	Confident	52 Å²	52	76.2 Å²	76.2	24%	0.243	38%	0.375	C	S	.	.	H	α-helix	trans	-75.9	-34.5	178.2	-65.9	-152.4	125.2	0	0	113.6	M388 Y389 M390 T394 K395 R396 R733 R734	M388-E392 WeakPolarHBondContact O-CG 3.39Å; M388-E392 PolarHBondContact O-N 2.81Å; Y389-E392 PolarHBondContact O-N 2.91Å; M390-E392 VanDerWaalsContact C-N 3.32Å; M390-E392 PolarHBondContact O-N 3.09Å; E392-T394 PolarHBondContact O-N 2.82Å; E392-K395 CarbonylContact O-C 3.55Å; E392-K395 WeakPolarHBondContact O-CA 3.18Å; E392-K395 PolarHBondContact O-N 2.85Å; E392-R396 PolarHBondContact O-N 2.81Å; E392-R733 HydrophobicContact CB-CB 4.24Å; E392-R733 WeakPolarHBondContact OE2-CD 3.34Å; E392-R734 IonicContact OE1-CZ 3.45Å; E392-R734 IonicContact OE1-NE 2.78Å; E392-R734 PolarHBondContact OE1-NE 3.48Å; E392-R734 IonicContact OE1-NH2 3.67Å; E392-R734 PolarHBondContact OE1-NH2 2.88Å
393	S	84.8	Confident	87	Confident	31 Å²	31	79.2 Å²	79.2	22%	0.217	39%	0.391	C	S	.	.	H	α-helix	trans	-63.6	-32	175.5	73.4	0	0	0	0	111.4	Y389 M390 K395 R396	Y389-S393 WeakPolarHBondContact O-CB 3.33Å; Y389-S393 PolarHBondContact O-N 2.81Å; Y389-S393 PolarHBondContact O-OG 2.85Å; M390-S393 WeakPolarHBondContact CA-OG 3.48Å; M390-S393 PolarHBondContact O-N 2.94Å; M390-S393 PolarHBondContact O-OG 3.17Å; S393-K395 PolarHBondContact O-N 3.45Å; S393-R396 WeakPolarHBondContact O-CB 3.32Å; S393-R396 PolarHBondContact O-N 2.94Å
394	T	86.9	Confident	87.3	Confident	122 Å²	122	78.4 Å²	78.4	75%	0.748	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.1	172.9	-54.8	0	0	0	0	112.4	M390 E392	M390-T394 PolarHBondContact O-N 3.47Å; M390-T394 PolarHBondContact O-OG1 3.22Å; E392-T394 PolarHBondContact O-N 2.82Å
395	K	88.4	Confident	87.6	Confident	144 Å²	144	73.6 Å²	73.6	63%	0.626	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	6	177.3	-60	177.2	-176.7	176.2	0	112.6	E392 S393	E392-K395 CarbonylContact O-C 3.55Å; E392-K395 WeakPolarHBondContact O-CA 3.18Å; E392-K395 PolarHBondContact O-N 2.85Å; S393-K395 PolarHBondContact O-N 3.45Å
396	R	87.1	Confident	88	Confident	41 Å²	41	76.5 Å²	76.5	16%	0.155	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-70.1	136.1	-178.5	-176.6	-176.9	-64.5	173.3	2.3	110.5	Y389 E392 S393 R667 D668 R733 N735	Y389-R396 PolarHBondContact OH-NH2 3.03Å; E392-R396 PolarHBondContact O-N 2.81Å; S393-R396 WeakPolarHBondContact O-CB 3.32Å; S393-R396 PolarHBondContact O-N 2.94Å; R396-R667 VanDerWaalsContact NH1-CB 3.26Å; R396-D668 WeakPolarHBondContact CD-OD1 3.49Å; R396-D668 WeakPolarHBondContact CD-OD2 3.45Å; R396-D668 IonicContact CZ-OD1 3.57Å; R396-D668 IonicContact NE-OD1 3.49Å; R396-D668 IonicContact NH1-OD1 3.45Å; R396-D668 PolarHBondContact NH1-OD1 2.85Å; R396-R733 PolarHBondContact NE-O 2.81Å; R396-R733 PolarHBondContact NH2-O 3.22Å; R396-N735 VanDerWaalsContact CD-ND2 3.34Å; R396-N735 WeakPolarHBondContact CD-ND2 3.39Å; R396-N735 HydrophobicContact CG-CB 4.28Å; R396-N735 WeakPolarHBondContact CG-ND2 3.46Å
397	I	88.6	Confident	88.4	Confident	107 Å²	107	75.2 Å²	75.2	55%	0.549	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-79.3	124.4	171.5	-60.5	171.4	0	0	0	107.9	L399 N735	I397-L399 PolarHBondContact O-N 2.86Å; I397-N735 PolarHBondContact O-ND2 2.65Å
398	R	87.3	Confident	88.7	Confident	185 Å²	185	76.5 Å²	76.5	70%	0.698	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-70.2	125.5	173.1	-169.7	174.3	-176.1	-172	-3.3	109.6	E670	R398-E670 VanDerWaalsContact CG-OE2 3.3Å; R398-E670 WeakPolarHBondContact CG-OE2 3.21Å; R398-E670 IonicContact CZ-OE1 2.67Å; R398-E670 IonicContact NE-OE1 3.53Å; R398-E670 PolarHBondContact NE-OE1 3.22Å; R398-E670 IonicContact NE-OE2 3.59Å; R398-E670 IonicContact NH2-OE1 2.95Å; R398-E670 PolarHBondContact NH2-OE1 3.06Å
399	L	88.9	Confident	89	Confident	10 Å²	10	74.7 Å²	74.7	5%	0.052	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-90.5	160.8	-176	-64.6	-177.5	0	0	0	110.3	I397 N403 P405 E670 I671 F731 N735	I397-L399 PolarHBondContact O-N 2.86Å; L399-N403 WeakPolarHBondContact CA-O 3.26Å; L399-P405 HydrophobicContact CD1-CB 3.99Å; L399-P405 HydrophobicContact CD1-CG 4.17Å; L399-P405 HydrophobicContact CD2-CB 3.97Å; L399-E670 PolarHBondContact N-OE2 2.88Å; L399-I671 HydrophobicContact CB-CD1 3.72Å; L399-I671 HydrophobicContact CB-CG1 4.1Å; L399-I671 HydrophobicContact CD1-CD1 4.19Å; L399-I671 HydrophobicContact CG-CD1 4.5Å; L399-F731 HydrophobicContact CD1-CE1 4.02Å; L399-N735 HydrophobicContact CD1-CB 3.84Å; L399-N735 HydrophobicContact CD2-CB 4.11Å; L399-N735 HydrophobicContact CG-CB 3.88Å
400	G	85.5	Confident	89.1	Confident	13 Å²	13	76.1 Å²	76.1	13%	0.134	39%	0.389	C	S	.	.			trans	178	-174.8	174.1	0	0	0	0	0	110.9	D402 N403	G400-D402 PolarHBondContact O-N 3.41Å; G400-N403 PolarHBondContact N-O 3.28Å; G400-N403 CarbonylContact O-C 3.22Å; G400-N403 VanDerWaalsContact O-C 3.22Å; G400-N403 PolarHBondContact O-N 3.39Å; G400-N403 VanDerWaalsContact O-N 3.08Å; G400-N403 VanDerWaalsContact O-O 3.1Å
401	P	85.3	Confident	89.2	Confident	69 Å²	69	75 Å²	75	45%	0.448	39%	0.386	S	S	.	.	S	Bend	trans	-56.4	-37.7	178.9	-26.2	35.3	0	0	0	113.2	D685 L716	P401-D685 WeakPolarHBondContact CG-OD2 3.34Å; P401-L716 HydrophobicContact CB-CD2 3.84Å; P401-L716 HydrophobicContact CG-CD2 4.11Å
402	D	86.5	Confident	89.1	Confident	156 Å²	156	72.3 Å²	72.3	83%	0.834	38%	0.375	S	S	*	.	S	Bend	trans	-81.8	-23.1	179	-60.3	-39.3	0	0	0	113.4	G400	G400-D402 PolarHBondContact O-N 3.41Å
403	N	89.5	Confident	88.5	Confident	99 Å²	99	76.7 Å²	76.7	53%	0.529	40%	0.399	S	S	.	.	S	Bend	trans	-125.7	85.1	-173.5	-70.7	-29.9	0	0	0	110.4	L399 G400	L399-N403 WeakPolarHBondContact CA-O 3.26Å; G400-N403 PolarHBondContact N-O 3.28Å; G400-N403 CarbonylContact O-C 3.22Å; G400-N403 VanDerWaalsContact O-C 3.22Å; G400-N403 PolarHBondContact O-N 3.39Å; G400-N403 VanDerWaalsContact O-N 3.08Å; G400-N403 VanDerWaalsContact O-O 3.1Å
404	L	92.3	Very high	87.7	Confident	63 Å²	63	81.4 Å²	81.4	33%	0.33	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-79.2	146.2	179.1	-57.5	179.5	0	0	0	111.8	I671 L716 Y719	L404-I671 HydrophobicContact CD2-CD1 4.35Å; L404-L716 HydrophobicContact CD2-CB 3.79Å; L404-L716 HydrophobicContact CD2-CD1 3.89Å; L404-L716 HydrophobicContact CD2-CG 4.37Å; L404-Y719 VanDerWaalsContact CD1-OH 3.32Å; L404-Y719 WeakPolarHBondContact CD1-OH 3.46Å
405	P	93.9	Very high	86.7	Confident	8 Å²	8	76.1 Å²	76.1	5%	0.052	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-66.7	145.3	175.3	29.2	-35.4	0	0	0	110.6	L399 L683 F731 N735 L737	L399-P405 HydrophobicContact CD1-CB 3.99Å; L399-P405 HydrophobicContact CD1-CG 4.17Å; L399-P405 HydrophobicContact CD2-CB 3.97Å; P405-L683 HydrophobicContact CG-CD1 3.59Å; P405-L683 HydrophobicContact CG-CD2 4.34Å; P405-F731 HydrophobicContact CB-CE1 3.96Å; P405-F731 HydrophobicContact CG-CE1 4.01Å; P405-F731 HydrophobicContact CG-CZ 4.41Å; P405-N735 WeakPolarHBondContact CB-O 3.25Å; P405-L737 HydrophobicContact CB-CB 4.37Å
406	S	94.3	Very high	85.5	Confident	84 Å²	84	78 Å²	78	59%	0.587	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-71.8	135.6	165.7	-66	0	0	0	0	109.6	L736 L737	S406-L736 WeakPolarHBondContact O-CD1 3.29Å; S406-L737 PolarHBondContact O-N 3.06Å
407	I	94.4	Very high	84.5	Confident	32 Å²	32	78 Å²	78	16%	0.164	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.9	-179.2	-47.6	-175.4	0	0	0	109.3	F409 V681 L683 Y719 L737 A739	I407-F409 HydrophobicContact CB-CE2 4.1Å; I407-F409 HydrophobicContact CG2-CD2 3.98Å; I407-F409 HydrophobicContact CG2-CE1 4.19Å; I407-F409 HydrophobicContact CG2-CE2 3.46Å; I407-F409 VanDerWaalsContact CG2-CE2 3.46Å; I407-F409 HydrophobicContact CG2-CZ 3.58Å; I407-V681 HydrophobicContact CD1-CG1 4.13Å; I407-L683 HydrophobicContact CD1-CD1 4.4Å; I407-Y719 HydrophobicContact CD1-CD1 4.22Å; I407-Y719 HydrophobicContact CD1-CD2 3.35Å; I407-Y719 HydrophobicContact CD1-CE2 3.73Å; I407-Y719 HydrophobicContact CD1-CG 3.62Å; I407-L737 CarbonylContact C-O 3.58Å; I407-L737 WeakPolarHBondContact CA-O 3.46Å; I407-L737 HydrophobicContact CD1-CD2 4.08Å; I407-L737 HydrophobicContact CG1-CB 4.32Å; I407-L737 HydrophobicContact CG1-CD2 4.04Å; I407-L737 HydrophobicContact CG2-CD2 4.32Å; I407-L737 HydrophobicContact CG2-CG 4.31Å; I407-A739 HydrophobicContact CG2-CB 4.17Å
408	C	94.1	Very high	84.2	Confident	50 Å²	50	74.3 Å²	74.3	34%	0.338	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114.3	173.3	-69.3	0	0	0	0	109.5	L737 L738 A739	C408-L737 PolarHBondContact N-O 2.92Å; C408-L738 HydrophobicContact CB-CD2 3.8Å; C408-L738 WeakPolarHBondContact O-CA 3.38Å; C408-A739 PolarHBondContact O-N 2.95Å
409	F	91.8	Very high	84.3	Confident	77 Å²	77	66.2 Å²	66.2	34%	0.338	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118.7	177.6	-73	-80.4	0	0	0	111.1	I407 V681 T721 V726 A739	I407-F409 HydrophobicContact CB-CE2 4.1Å; I407-F409 HydrophobicContact CG2-CD2 3.98Å; I407-F409 HydrophobicContact CG2-CE1 4.19Å; I407-F409 HydrophobicContact CG2-CE2 3.46Å; I407-F409 VanDerWaalsContact CG2-CE2 3.46Å; I407-F409 HydrophobicContact CG2-CZ 3.58Å; F409-V681 HydrophobicContact CE1-CG2 3.48Å; F409-V681 VanDerWaalsContact CE1-CG2 3.48Å; F409-V681 HydrophobicContact CZ-CB 4.19Å; F409-V681 HydrophobicContact CZ-CG2 3.58Å; F409-T721 HydrophobicContact CD1-CG2 3.8Å; F409-T721 HydrophobicContact CE1-CG2 3.34Å; F409-T721 HydrophobicContact CZ-CG2 3.84Å; F409-V726 HydrophobicContact CE1-CG2 4.1Å; F409-A739 CarbonylContact C-O 3.4Å; F409-A739 WeakPolarHBondContact CA-O 3.19Å; F409-A739 HydrophobicContact CD1-CB 3.4Å; F409-A739 VanDerWaalsContact CD1-CB 3.4Å; F409-A739 HydrophobicContact CE1-CB 3.38Å; F409-A739 HydrophobicContact CG-CB 4.28Å; F409-A739 HydrophobicContact CZ-CB 4.26Å
410	Y	90.3	Very high	84.4	Confident	91 Å²	91	67.8 Å²	67.8	36%	0.357	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	110.3	167.5	-72.7	-80.6	0	0	0	109.3	I431 V445 L738 A739 A740 G741	Y410-I431 HydrophobicContact CD2-CD1 4.34Å; Y410-I431 HydrophobicContact CE2-CD1 4.42Å; Y410-I431 HydrophobicContact CG-CD1 4.39Å; Y410-V445 WeakPolarHBondContact OH-CG1 3.33Å; Y410-L738 HydrophobicContact CD2-CB 4.44Å; Y410-L738 HydrophobicContact CE2-CB 4.41Å; Y410-L738 HydrophobicContact CE2-CD1 4.21Å; Y410-L738 HydrophobicContact CE2-CD2 3.95Å; Y410-L738 HydrophobicContact CE2-CG 4.41Å; Y410-A739 PolarHBondContact N-O 3.44Å; Y410-A740 WeakPolarHBondContact O-CA 3.34Å; Y410-G741 PolarHBondContact O-N 3.4Å; Y410-G741 VanDerWaalsContact O-N 3.1Å
411	T	88.8	Confident	84.8	Confident	59 Å²	59	67.5 Å²	67.5	36%	0.362	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.6	174.4	-55.3	0	0	0	0	109.3	L413 T724	T411-L413 PolarHBondContact O-N 2.93Å; T411-L413 VanDerWaalsContact O-N 3.16Å; T411-T724 HydrophobicContact CG2-CG2 3.99Å
412	F	84.7	Confident	85.3	Confident	26 Å²	26	64.7 Å²	64.7	11%	0.114	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	106.2	172.5	-71.5	-87.1	0	0	0	109.5	A415 L419 V422 I431 W443 A740 G741	F412-A415 HydrophobicContact CB-CB 4.5Å; F412-L419 HydrophobicContact CB-CD2 4.09Å; F412-L419 HydrophobicContact CD2-CD1 4.48Å; F412-L419 HydrophobicContact CD2-CD2 3.38Å; F412-L419 HydrophobicContact CE2-CD2 3.97Å; F412-L419 HydrophobicContact CG-CD1 4.48Å; F412-L419 HydrophobicContact CG-CD2 3.85Å; F412-V422 HydrophobicContact CD2-CG2 4.48Å; F412-V422 HydrophobicContact CE2-CG1 4.22Å; F412-V422 HydrophobicContact CE2-CG2 3.82Å; F412-V422 HydrophobicContact CZ-CG1 4.41Å; F412-V422 HydrophobicContact CZ-CG2 4.39Å; F412-I431 HydrophobicContact CZ-CG2 3.81Å; F412-W443 AromaticContact CD1-CH2 3.79Å; F412-W443 HydrophobicContact CD1-CH2 3.79Å; F412-W443 HydrophobicContact CD1-CZ2 4.09Å; F412-W443 HydrophobicContact CD1-CZ3 4.22Å; F412-W443 HydrophobicContact CE1-CD2 4.24Å; F412-W443 AromaticContact CE1-CE3 3.79Å; F412-W443 HydrophobicContact CE1-CE3 3.79Å; F412-W443 AromaticContact CE1-CH2 3.35Å; F412-W443 HydrophobicContact CE1-CH2 3.35Å; F412-W443 AromaticContact CE1-CZ2 3.87Å; F412-W443 HydrophobicContact CE1-CZ2 3.87Å; F412-W443 AromaticContact CE1-CZ3 3.31Å; F412-W443 HydrophobicContact CE1-CZ3 3.31Å; F412-W443 HydrophobicContact CZ-CE3 4.39Å; F412-W443 HydrophobicContact CZ-CH2 4.32Å; F412-W443 AromaticContact CZ-CZ3 3.94Å; F412-W443 HydrophobicContact CZ-CZ3 3.94Å; F412-A740 HydrophobicContact CE2-CB 4.18Å; F412-G741 PolarHBondContact N-O 3.15Å
413	L	74.4	Confident	85.7	Confident	144 Å²	144	58.4 Å²	58.4	75%	0.754	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	148.5	174.5	-73.8	132	0	0	0	110.5	T411 A415	T411-L413 PolarHBondContact O-N 2.93Å; T411-L413 VanDerWaalsContact O-N 3.16Å; L413-A415 VanDerWaalsContact C-N 3.27Å; L413-A415 PolarHBondContact O-N 3.26Å
414	N	69.5	Low	86.1	Confident	129 Å²	129	54 Å²	54	69%	0.69	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	37.4	-177	-60.8	-20	0	0	0	113.6	Y416	N414-Y416 HydrophobicContact CB-CD1 4.21Å; N414-Y416 HydrophobicContact CB-CE1 4.32Å; N414-Y416 WeakPolarHBondContact O-CD1 3.43Å; N414-Y416 PolarHBondContact O-N 3.44Å
415	A	65.8	Low	86.2	Confident	11 Å²	11	51 Å²	51	9%	0.091	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-75	27.8	174.7	0	0	0	0	0	113.6	F412 L413 Q417 G418 L419 A742	F412-A415 HydrophobicContact CB-CB 4.5Å; L413-A415 VanDerWaalsContact C-N 3.27Å; L413-A415 PolarHBondContact O-N 3.26Å; A415-Q417 PolarHBondContact O-N 3.26Å; A415-G418 PolarHBondContact O-N 2.96Å; A415-L419 HydrophobicContact CB-CB 4.39Å; A415-A742 HydrophobicContact CB-CB 4.15Å
416	Y	61.6	Low	86	Confident	185 Å²	185	53.2 Å²	53.2	73%	0.725	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-57.2	-20.2	175.9	67	-90.2	0	0	0	112.6	N414 G418	N414-Y416 HydrophobicContact CB-CD1 4.21Å; N414-Y416 HydrophobicContact CB-CE1 4.32Å; N414-Y416 WeakPolarHBondContact O-CD1 3.43Å; N414-Y416 PolarHBondContact O-N 3.44Å; Y416-G418 PolarHBondContact O-N 3.39Å
417	Q	66.9	Low	85.7	Confident	39 Å²	39	51.1 Å²	51.1	18%	0.182	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-81.4	5.6	175.7	-61.6	170.3	-47	0	0	112.9	A415 F435 A436 D437 R441	A415-Q417 PolarHBondContact O-N 3.26Å; Q417-F435 HydrophobicContact CB-CD1 4.01Å; Q417-A436 WeakPolarHBondContact O-CA 3.27Å; Q417-A436 VanDerWaalsContact O-CB 3.27Å; Q417-A436 WeakPolarHBondContact O-CB 3.28Å; Q417-A436 PolarHBondContact O-N 3.38Å; Q417-D437 HydrophobicContact CB-CB 4.21Å; Q417-D437 HydrophobicContact CG-CB 4.49Å; Q417-D437 PolarHBondContact NE2-OD2 3.49Å; Q417-D437 VanDerWaalsContact NE2-OD2 3.09Å; Q417-D437 PolarHBondContact O-N 3.49Å; Q417-R441 VanDerWaalsContact CD-NH2 3.34Å
418	G	83.1	Confident	85.6	Confident	30 Å²	30	50.4 Å²	50.4	31%	0.309	26%	0.263	S	S	.	.			trans	67	89.4	176.3	0	0	0	0	0	112.7	A415 Y416 T420 F435 A436	A415-G418 PolarHBondContact O-N 2.96Å; Y416-G418 PolarHBondContact O-N 3.39Å; G418-T420 PolarHBondContact O-N 2.84Å; G418-F435 CarbonylContact O-C 3.56Å; G418-F435 WeakPolarHBondContact O-CA 3.34Å; G418-A436 PolarHBondContact O-N 2.6Å
419	L	89.2	Confident	85.5	Confident	15 Å²	15	49 Å²	49	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	118.5	171.7	179.4	80.1	0	0	0	109.2	F412 A415 V422 F435 A742	F412-L419 HydrophobicContact CB-CD2 4.09Å; F412-L419 HydrophobicContact CD2-CD1 4.48Å; F412-L419 HydrophobicContact CD2-CD2 3.38Å; F412-L419 HydrophobicContact CE2-CD2 3.97Å; F412-L419 HydrophobicContact CG-CD1 4.48Å; F412-L419 HydrophobicContact CG-CD2 3.85Å; A415-L419 HydrophobicContact CB-CB 4.39Å; L419-V422 HydrophobicContact CD1-CG2 3.89Å; L419-V422 HydrophobicContact CD2-CG2 3.58Å; L419-V422 HydrophobicContact CG-CG2 3.94Å; L419-F435 HydrophobicContact CB-CE1 4.45Å; L419-F435 HydrophobicContact CD1-CE1 4.17Å; L419-F435 HydrophobicContact CD1-CE2 4.43Å; L419-F435 HydrophobicContact CD1-CZ 4.07Å; L419-A742 HydrophobicContact CB-CB 3.82Å; L419-A742 HydrophobicContact CD2-CB 3.95Å
420	T	91.5	Very high	85.6	Confident	44 Å²	44	46.2 Å²	46.2	27%	0.27	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-34.7	-174	40.6	0	0	0	0	112.3	G418 G434 A436 V492 Y493	G418-T420 PolarHBondContact O-N 2.84Å; T420-G434 PolarHBondContact N-O 2.68Å; T420-G434 PolarHBondContact OG1-O 2.64Å; T420-A436 HydrophobicContact CG2-CB 4.38Å; T420-V492 WeakPolarHBondContact CB-O 3.4Å; T420-V492 PolarHBondContact OG1-O 2.97Å; T420-Y493 HydrophobicContact CG2-CD1 4.47Å
421	A	92.7	Very high	85.8	Confident	6 Å²	6	42.3 Å²	42.3	5%	0.05	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146	-176.2	0	0	0	0	0	111.2	G433 G434 Y493 I495	A421-G433 CarbonylContact O-C 3.57Å; A421-G433 VanDerWaalsContact O-CA 3.31Å; A421-G433 WeakPolarHBondContact O-CA 3.47Å; A421-G434 PolarHBondContact N-O 3.48Å; A421-G434 PolarHBondContact O-N 2.68Å; A421-Y493 VanDerWaalsContact CB-O 3.31Å; A421-Y493 WeakPolarHBondContact CB-O 3.47Å; A421-I495 HydrophobicContact CB-CB 4.48Å; A421-I495 HydrophobicContact CB-CD1 4.29Å; A421-I495 HydrophobicContact CB-CG1 4.07Å
422	V	95.5	Very high	86.1	Confident	10 Å²	10	39.5 Å²	39.5	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	138.8	172.3	-179.8	0	0	0	0	109.2	F412 L419 I431 A432 H728 A740	F412-V422 HydrophobicContact CD2-CG2 4.48Å; F412-V422 HydrophobicContact CE2-CG1 4.22Å; F412-V422 HydrophobicContact CE2-CG2 3.82Å; F412-V422 HydrophobicContact CZ-CG1 4.41Å; F412-V422 HydrophobicContact CZ-CG2 4.39Å; L419-V422 HydrophobicContact CD1-CG2 3.89Å; L419-V422 HydrophobicContact CD2-CG2 3.58Å; L419-V422 HydrophobicContact CG-CG2 3.94Å; V422-I431 HydrophobicContact CG1-CG2 4.04Å; V422-A432 WeakPolarHBondContact CA-O 3.47Å; V422-H728 HydrophobicContact CB-CB 3.87Å; V422-H728 HydrophobicContact CG1-CB 4.21Å; V422-H728 PolarHBondContact O-CD2 2.76Å; V422-H728 VanDerWaalsContact O-CD2 3.31Å; V422-H728 VanDerWaalsContact O-CG 3.3Å; V422-A740 HydrophobicContact CB-CB 4.36Å; V422-A740 HydrophobicContact CG1-CB 3.77Å; V422-A740 HydrophobicContact CG2-CB 4.41Å
423	D	96.4	Very high	86.6	Confident	24 Å²	24	38.2 Å²	38.2	13%	0.128	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	157.9	165.9	-168.2	22.3	0	0	0	110.6	A432 I495 S496 F497 H728	D423-A432 PolarHBondContact N-O 3.45Å; D423-A432 PolarHBondContact O-N 3.27Å; D423-I495 HydrophobicContact CB-CG2 4.18Å; D423-I495 WeakPolarHBondContact CB-O 3.44Å; D423-S496 VanDerWaalsContact OD2-CA 3.28Å; D423-S496 WeakPolarHBondContact OD2-CA 3.37Å; D423-F497 HydrophobicContact CB-CD2 4.09Å; D423-F497 HydrophobicContact CB-CE2 4.47Å; D423-F497 WeakPolarHBondContact O-CE2 3.3Å; D423-F497 PolarHBondContact OD2-N 3.44Å; D423-H728 IonicContact OD1-CE1 3.8Å; D423-H728 IonicContact OD1-NE2 3.74Å
424	V	95.9	Very high	87.6	Confident	7 Å²	7	31.4 Å²	31.4	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.1	-177.9	-174.3	0	0	0	0	109	I431 H730 L738	V424-I431 HydrophobicContact CB-CG1 4.42Å; V424-I431 HydrophobicContact CG1-CG1 4Å; V424-I431 HydrophobicContact CG2-CD1 4.45Å; V424-I431 HydrophobicContact CG2-CG1 3.93Å; V424-I431 HydrophobicContact CG2-CG2 4.41Å; V424-H730 HydrophobicContact CB-CB 4.06Å; V424-H730 HydrophobicContact CG2-CB 4.18Å; V424-L738 HydrophobicContact CG1-CD1 4.31Å
425	T	94.8	Very high	88.7	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.006	14%	0.136	C	C	.	.			trans	-62.2	155.7	177.9	56.6	0	0	0	0	112.1	D427 S428 S429 L430 F497 R501 H730	T425-D427 VanDerWaalsContact C-N 3.26Å; T425-D427 WeakPolarHBondContact CB-OD1 3.5Å; T425-D427 PolarHBondContact O-N 3.44Å; T425-D427 PolarHBondContact OG1-OD1 3.26Å; T425-S428 WeakPolarHBondContact O-CA 3.3Å; T425-S428 PolarHBondContact O-N 3.13Å; T425-S429 PolarHBondContact OG1-N 3.06Å; T425-S429 VanDerWaalsContact OG1-N 3.12Å; T425-S429 PolarHBondContact OG1-OG 2.74Å; T425-L430 HydrophobicContact CG2-CB 3.76Å; T425-L430 HydrophobicContact CG2-CD1 4.39Å; T425-L430 HydrophobicContact CG2-CG 4.34Å; T425-L430 PolarHBondContact N-O 3.12Å; T425-L430 VanDerWaalsContact N-O 3.07Å; T425-L430 PolarHBondContact OG1-N 3.43Å; T425-L430 VanDerWaalsContact OG1-N 3.07Å; T425-L430 PolarHBondContact OG1-O 3.24Å; T425-F497 HydrophobicContact CG2-CB 4.01Å; T425-F497 HydrophobicContact CG2-CD1 3.47Å; T425-F497 VanDerWaalsContact CG2-CD1 3.47Å; T425-F497 HydrophobicContact CG2-CD2 3.79Å; T425-F497 HydrophobicContact CG2-CE1 3.75Å; T425-F497 HydrophobicContact CG2-CE2 4.03Å; T425-F497 HydrophobicContact CG2-CG 3.48Å; T425-F497 VanDerWaalsContact CG2-CG 3.48Å; T425-F497 HydrophobicContact CG2-CZ 4.01Å; T425-R501 HydrophobicContact CG2-CG 4.14Å; T425-H730 PolarHBondContact O-CE1 3.25Å; T425-H730 PolarHBondContact O-NE2 3.07Å
426	D	89.8	Confident	90	Very high	53 Å²	53	27 Å²	27	28%	0.283	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-33.7	-175.9	-172.9	67.1	0	0	0	114.4	S428 R667 R733	D426-S428 VanDerWaalsContact C-N 3.29Å; D426-R667 IonicContact OD1-CZ 3.23Å; D426-R667 IonicContact OD1-NH1 2.85Å; D426-R667 PolarHBondContact OD1-NH1 2.87Å; D426-R667 IonicContact OD1-NH2 2.68Å; D426-R667 PolarHBondContact OD1-NH2 2.93Å; D426-R733 IonicContact OD2-CZ 3.82Å; D426-R733 IonicContact OD2-NE 3.47Å; D426-R733 PolarHBondContact OD2-NE 3.02Å; D426-R733 IonicContact OD2-NH2 3.2Å; D426-R733 PolarHBondContact OD2-NH2 3.1Å
427	D	88.7	Confident	91.4	Very high	41 Å²	41	20.8 Å²	20.8	22%	0.219	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-2.2	174.4	68.3	-19.2	0	0	0	113.4	T425 S429 R501	T425-D427 VanDerWaalsContact C-N 3.26Å; T425-D427 WeakPolarHBondContact CB-OD1 3.5Å; T425-D427 PolarHBondContact O-N 3.44Å; T425-D427 PolarHBondContact OG1-OD1 3.26Å; D427-S429 PolarHBondContact O-N 3.37Å; D427-S429 PolarHBondContact OD1-N 2.52Å; D427-S429 PolarHBondContact OD1-OG 3.16Å; D427-S429 WeakPolarHBondContact OD2-CB 3.08Å; D427-S429 PolarHBondContact OD2-OG 3.18Å; D427-R501 VanDerWaalsContact CG-NH1 3.35Å; D427-R501 WeakPolarHBondContact OD2-CD 3.38Å; D427-R501 IonicContact OD2-CZ 2.74Å; D427-R501 IonicContact OD2-NE 3.92Å; D427-R501 IonicContact OD2-NH1 3.97Å; D427-R501 PolarHBondContact OD2-NH1 2.87Å
428	S	92.3	Very high	92.7	Very high	17 Å²	17	20 Å²	20	12%	0.119	13%	0.127	C	C	.	.	S	Bend	trans	59.8	24.4	-176.6	-44.5	0	0	0	0	114.5	T425 D426 H730 T732	T425-S428 WeakPolarHBondContact O-CA 3.3Å; T425-S428 PolarHBondContact O-N 3.13Å; D426-S428 VanDerWaalsContact C-N 3.29Å; S428-H730 PolarHBondContact OG-NE2 3.04Å; S428-T732 VanDerWaalsContact OG-CG2 3.3Å; S428-T732 WeakPolarHBondContact OG-CG2 3.43Å
429	S	91.7	Very high	93.2	Very high	19 Å²	19	18.9 Å²	18.9	13%	0.133	11%	0.114	C	C	.	.			trans	-77.7	-34.3	178.4	62.7	0	0	0	0	113.7	T425 D427 V445	T425-S429 PolarHBondContact OG1-N 3.06Å; T425-S429 VanDerWaalsContact OG1-N 3.12Å; T425-S429 PolarHBondContact OG1-OG 2.74Å; D427-S429 PolarHBondContact O-N 3.37Å; D427-S429 PolarHBondContact OD1-N 2.52Å; D427-S429 PolarHBondContact OD1-OG 3.16Å; D427-S429 WeakPolarHBondContact OD2-CB 3.08Å; D427-S429 PolarHBondContact OD2-OG 3.18Å; S429-V445 PolarHBondContact O-N 3.42Å
430	L	93.9	Very high	93.6	Very high	20 Å²	20	18.1 Å²	18.1	11%	0.105	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.1	-178.4	-54	178	0	0	0	111.1	T425 V442 W443 L450 F497 L518	T425-L430 HydrophobicContact CG2-CB 3.76Å; T425-L430 HydrophobicContact CG2-CD1 4.39Å; T425-L430 HydrophobicContact CG2-CG 4.34Å; T425-L430 PolarHBondContact N-O 3.12Å; T425-L430 VanDerWaalsContact N-O 3.07Å; T425-L430 PolarHBondContact OG1-N 3.43Å; T425-L430 VanDerWaalsContact OG1-N 3.07Å; T425-L430 PolarHBondContact OG1-O 3.24Å; L430-V442 HydrophobicContact CB-CG1 4.5Å; L430-W443 WeakPolarHBondContact CA-O 3.49Å; L430-L450 HydrophobicContact CD2-CD2 3.55Å; L430-F497 HydrophobicContact CB-CE1 4.13Å; L430-F497 HydrophobicContact CB-CZ 3.92Å; L430-F497 HydrophobicContact CD1-CE1 4.23Å; L430-L518 HydrophobicContact CD1-CD1 4.3Å
431	I	95.2	Very high	93.7	Very high	8 Å²	8	18.8 Å²	18.8	4%	0.041	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.8	168.8	-63.6	175.6	0	0	0	107.6	Y410 F412 V422 V424 V442 W443 V445	Y410-I431 HydrophobicContact CD2-CD1 4.34Å; Y410-I431 HydrophobicContact CE2-CD1 4.42Å; Y410-I431 HydrophobicContact CG-CD1 4.39Å; F412-I431 HydrophobicContact CZ-CG2 3.81Å; V422-I431 HydrophobicContact CG1-CG2 4.04Å; V424-I431 HydrophobicContact CB-CG1 4.42Å; V424-I431 HydrophobicContact CG1-CG1 4Å; V424-I431 HydrophobicContact CG2-CD1 4.45Å; V424-I431 HydrophobicContact CG2-CG1 3.93Å; V424-I431 HydrophobicContact CG2-CG2 4.41Å; I431-V442 CarbonylContact O-C 3.55Å; I431-V442 WeakPolarHBondContact O-CA 3.45Å; I431-W443 HydrophobicContact CG2-CE3 4.45Å; I431-W443 PolarHBondContact N-O 2.86Å; I431-W443 PolarHBondContact O-N 2.96Å; I431-V445 HydrophobicContact CB-CG2 4.3Å; I431-V445 HydrophobicContact CD1-CG2 3.38Å; I431-V445 HydrophobicContact CG1-CG2 3.43Å; I431-V445 VanDerWaalsContact CG1-CG2 3.43Å
432	A	95.4	Very high	93.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.8	172.2	0	0	0	0	0	110.7	V422 D423 R441 V442 I495 F497 L504	V422-A432 WeakPolarHBondContact CA-O 3.47Å; D423-A432 PolarHBondContact N-O 3.45Å; D423-A432 PolarHBondContact O-N 3.27Å; A432-R441 CarbonylContact C-O 3.6Å; A432-R441 VanDerWaalsContact CA-O 3.23Å; A432-R441 WeakPolarHBondContact CA-O 3.3Å; A432-V442 HydrophobicContact CB-CG2 4.24Å; A432-I495 HydrophobicContact CB-CG2 3.89Å; A432-F497 HydrophobicContact CB-CE1 4.41Å; A432-F497 HydrophobicContact CB-CE2 3.51Å; A432-F497 HydrophobicContact CB-CZ 3.42Å; A432-F497 VanDerWaalsContact CB-CZ 3.42Å; A432-L504 HydrophobicContact CB-CD1 3.96Å; A432-L504 HydrophobicContact CB-CD2 4.01Å
433	G	94.3	Very high	93.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133	-177.3	0	0	0	0	0	110.7	A421 F435 R441	A421-G433 CarbonylContact O-C 3.57Å; A421-G433 VanDerWaalsContact O-CA 3.31Å; A421-G433 WeakPolarHBondContact O-CA 3.47Å; G433-F435 WeakPolarHBondContact O-CE2 3.47Å; G433-R441 PolarHBondContact N-O 3.18Å; G433-R441 PolarHBondContact O-N 3.19Å
434	G	94.5	Very high	93.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137.8	177.4	0	0	0	0	0	109.1	T420 A421 I495	T420-G434 PolarHBondContact N-O 2.68Å; T420-G434 PolarHBondContact OG1-O 2.64Å; A421-G434 PolarHBondContact N-O 3.48Å; A421-G434 PolarHBondContact O-N 2.68Å; G434-I495 VanDerWaalsContact CA-CD1 3.41Å
435	F	93.8	Very high	93.2	Very high	5 Å²	5	23.3 Å²	23.3	2%	0.022	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	155.3	-175.3	-67.2	-91.3	0	0	0	111.1	Q417 G418 L419 G433 D437 S438 T439 R441 W443 V492	Q417-F435 HydrophobicContact CB-CD1 4.01Å; G418-F435 CarbonylContact O-C 3.56Å; G418-F435 WeakPolarHBondContact O-CA 3.34Å; L419-F435 HydrophobicContact CB-CE1 4.45Å; L419-F435 HydrophobicContact CD1-CE1 4.17Å; L419-F435 HydrophobicContact CD1-CE2 4.43Å; L419-F435 HydrophobicContact CD1-CZ 4.07Å; G433-F435 WeakPolarHBondContact O-CE2 3.47Å; F435-D437 WeakPolarHBondContact CB-OD1 3.36Å; F435-D437 PolarHBondContact O-N 2.84Å; F435-S438 PolarHBondContact O-N 2.74Å; F435-T439 PolarHBondContact N-O 3.28Å; F435-T439 VanDerWaalsContact N-O 3.07Å; F435-R441 HydrophobicContact CD2-CG 4.04Å; F435-R441 HydrophobicContact CE2-CB 3.84Å; F435-R441 VanDerWaalsContact CE2-CD 3.45Å; F435-R441 HydrophobicContact CE2-CG 3.6Å; F435-R441 HydrophobicContact CZ-CG 4.49Å; F435-W443 AromaticContact CE2-CH2 3.66Å; F435-W443 HydrophobicContact CE2-CH2 3.66Å; F435-W443 HydrophobicContact CE2-CZ2 4.28Å; F435-W443 AromaticContact CZ-CH2 3.65Å; F435-W443 HydrophobicContact CZ-CH2 3.65Å; F435-W443 HydrophobicContact CZ-CZ2 4.07Å; F435-V492 PolarHBondContact O-N 3.45Å
436	A	92.8	Very high	92.8	Very high	43 Å²	43	25.8 Å²	25.8	36%	0.355	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18	174.1	0	0	0	0	0	112.5	Q417 G418 T420 S438 P491	Q417-A436 WeakPolarHBondContact O-CA 3.27Å; Q417-A436 VanDerWaalsContact O-CB 3.27Å; Q417-A436 WeakPolarHBondContact O-CB 3.28Å; Q417-A436 PolarHBondContact O-N 3.38Å; G418-A436 PolarHBondContact O-N 2.6Å; T420-A436 HydrophobicContact CG2-CB 4.38Å; A436-S438 PolarHBondContact O-N 3.35Å; A436-P491 HydrophobicContact CB-CB 4.37Å; A436-P491 HydrophobicContact CB-CG 4.33Å
437	D	91.9	Very high	92.5	Very high	54 Å²	54	29.7 Å²	29.7	29%	0.289	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	12.3	172.9	76.2	-7.5	0	0	0	114.3	Q417 F435 T439 R441	Q417-D437 HydrophobicContact CB-CB 4.21Å; Q417-D437 HydrophobicContact CG-CB 4.49Å; Q417-D437 PolarHBondContact NE2-OD2 3.49Å; Q417-D437 VanDerWaalsContact NE2-OD2 3.09Å; Q417-D437 PolarHBondContact O-N 3.49Å; F435-D437 WeakPolarHBondContact CB-OD1 3.36Å; F435-D437 PolarHBondContact O-N 2.84Å; D437-T439 PolarHBondContact O-N 3.44Å; D437-T439 VanDerWaalsContact OD1-CB 3.26Å; D437-T439 WeakPolarHBondContact OD1-CB 3.31Å; D437-T439 WeakPolarHBondContact OD1-CG2 3.13Å; D437-T439 PolarHBondContact OD1-N 2.88Å; D437-T439 PolarHBondContact OD1-OG1 3.26Å; D437-T439 PolarHBondContact OD2-OG1 2.96Å; D437-R441 IonicContact OD2-NH2 2.75Å; D437-R441 PolarHBondContact OD2-NH2 3.26Å
438	S	93.8	Very high	92.3	Very high	23 Å²	23	35.6 Å²	35.6	16%	0.161	20%	0.197	C	C	.	.	S	Bend	trans	68.6	11.9	-177.9	-39.6	0	0	0	0	115.4	F435 A436 H488 G490	F435-S438 PolarHBondContact O-N 2.74Å; A436-S438 PolarHBondContact O-N 3.35Å; S438-H488 WeakPolarHBondContact CB-O 3.22Å; S438-G490 VanDerWaalsContact CA-O 3.25Å; S438-G490 WeakPolarHBondContact CA-O 3.31Å; S438-G490 VanDerWaalsContact CB-O 3.23Å; S438-G490 WeakPolarHBondContact CB-O 3.49Å; S438-G490 WeakPolarHBondContact OG-CA 3.32Å; S438-G490 PolarHBondContact OG-N 2.75Å; S438-G490 PolarHBondContact OG-O 2.94Å; S438-G490 VanDerWaalsContact OG-O 3.09Å
439	T	94.1	Very high	92.2	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.037	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	147.3	176.5	69.9	0	0	0	0	112.4	F435 D437 R441 Y486	F435-T439 PolarHBondContact N-O 3.28Å; F435-T439 VanDerWaalsContact N-O 3.07Å; D437-T439 PolarHBondContact O-N 3.44Å; D437-T439 VanDerWaalsContact OD1-CB 3.26Å; D437-T439 WeakPolarHBondContact OD1-CB 3.31Å; D437-T439 WeakPolarHBondContact OD1-CG2 3.13Å; D437-T439 PolarHBondContact OD1-N 2.88Å; D437-T439 PolarHBondContact OD1-OG1 3.26Å; D437-T439 PolarHBondContact OD2-OG1 2.96Å; T439-R441 PolarHBondContact OG1-NE 3.24Å; T439-R441 PolarHBondContact OG1-NH2 3.17Å; T439-Y486 HydrophobicContact CG2-CD1 3.75Å; T439-Y486 HydrophobicContact CG2-CE1 3.51Å
440	V	95.8	Very high	92	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.3	166.2	179.3	0	0	0	0	107.8	L485 V492 I495 L504	V440-L485 HydrophobicContact CB-CB 4.12Å; V440-L485 HydrophobicContact CB-CD1 4.34Å; V440-L485 HydrophobicContact CG1-CD1 4.13Å; V440-L485 PolarHBondContact N-O 2.68Å; V440-L485 VanDerWaalsContact N-O 3.17Å; V440-L485 WeakPolarHBondContact O-CB 3.33Å; V440-L485 PolarHBondContact O-N 2.98Å; V440-V492 HydrophobicContact CG2-CB 4.47Å; V440-V492 HydrophobicContact CG2-CG1 4.01Å; V440-V492 HydrophobicContact CG2-CG2 3.91Å; V440-I495 HydrophobicContact CG1-CD1 3.94Å; V440-I495 HydrophobicContact CG2-CD1 4.49Å; V440-L504 HydrophobicContact CG1-CD2 3.72Å
441	R	93.8	Very high	91.9	Very high	58 Å²	58	42.8 Å²	42.8	22%	0.219	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.4	178.5	-56.9	-178.6	-172.9	169.3	3.4	110	Q417 A432 G433 F435 D437 T439 W443 K483 C484	Q417-R441 VanDerWaalsContact CD-NH2 3.34Å; A432-R441 CarbonylContact C-O 3.6Å; A432-R441 VanDerWaalsContact CA-O 3.23Å; A432-R441 WeakPolarHBondContact CA-O 3.3Å; G433-R441 PolarHBondContact N-O 3.18Å; G433-R441 PolarHBondContact O-N 3.19Å; F435-R441 HydrophobicContact CD2-CG 4.04Å; F435-R441 HydrophobicContact CE2-CB 3.84Å; F435-R441 VanDerWaalsContact CE2-CD 3.45Å; F435-R441 HydrophobicContact CE2-CG 3.6Å; F435-R441 HydrophobicContact CZ-CG 4.49Å; D437-R441 IonicContact OD2-NH2 2.75Å; D437-R441 PolarHBondContact OD2-NH2 3.26Å; T439-R441 PolarHBondContact OG1-NE 3.24Å; T439-R441 PolarHBondContact OG1-NH2 3.17Å; R441-W443 HydrophobicContact CB-CE3 4.42Å; R441-W443 HydrophobicContact CB-CH2 3.47Å; R441-W443 VanDerWaalsContact CB-CH2 3.47Å; R441-W443 HydrophobicContact CB-CZ2 3.54Å; R441-W443 HydrophobicContact CB-CZ3 3.93Å; R441-W443 HydrophobicContact CG-CH2 4.44Å; R441-W443 HydrophobicContact CG-CZ2 4.36Å; R441-W443 VanDerWaalsContact O-CZ3 3.26Å; R441-W443 WeakPolarHBondContact O-CZ3 3.28Å; R441-K483 WeakPolarHBondContact CA-O 3.21Å; R441-C484 HydrophobicContact CG-CB 4.43Å
442	V	95.2	Very high	91.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130	177.6	-174.8	0	0	0	0	108	L430 I431 A432 L450 S482 K483 L485 F497 L504 L518 F521	L430-V442 HydrophobicContact CB-CG1 4.5Å; I431-V442 CarbonylContact O-C 3.55Å; I431-V442 WeakPolarHBondContact O-CA 3.45Å; A432-V442 HydrophobicContact CB-CG2 4.24Å; V442-L450 HydrophobicContact CB-CD1 4.45Å; V442-L450 HydrophobicContact CG1-CD1 4.17Å; V442-S482 CarbonylContact O-C 3.56Å; V442-S482 WeakPolarHBondContact O-CA 3.41Å; V442-K483 PolarHBondContact N-O 3.06Å; V442-K483 PolarHBondContact O-N 3.33Å; V442-L485 HydrophobicContact CG2-CD1 4.11Å; V442-F497 HydrophobicContact CG1-CZ 4.44Å; V442-L504 HydrophobicContact CG2-CD2 3.77Å; V442-L518 HydrophobicContact CG1-CD2 4.39Å; V442-L518 HydrophobicContact CG2-CD2 4.24Å; V442-F521 HydrophobicContact CB-CE1 4.41Å; V442-F521 HydrophobicContact CG1-CE1 4.44Å
443	W	93.7	Very high	91.1	Very high	63 Å²	63	47.9 Å²	47.9	24%	0.239	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.2	176.7	-59.1	-97.2	0	0	0	110	F412 L430 I431 F435 R441 S482	F412-W443 AromaticContact CD1-CH2 3.79Å; F412-W443 HydrophobicContact CD1-CH2 3.79Å; F412-W443 HydrophobicContact CD1-CZ2 4.09Å; F412-W443 HydrophobicContact CD1-CZ3 4.22Å; F412-W443 HydrophobicContact CE1-CD2 4.24Å; F412-W443 AromaticContact CE1-CE3 3.79Å; F412-W443 HydrophobicContact CE1-CE3 3.79Å; F412-W443 AromaticContact CE1-CH2 3.35Å; F412-W443 HydrophobicContact CE1-CH2 3.35Å; F412-W443 AromaticContact CE1-CZ2 3.87Å; F412-W443 HydrophobicContact CE1-CZ2 3.87Å; F412-W443 AromaticContact CE1-CZ3 3.31Å; F412-W443 HydrophobicContact CE1-CZ3 3.31Å; F412-W443 HydrophobicContact CZ-CE3 4.39Å; F412-W443 HydrophobicContact CZ-CH2 4.32Å; F412-W443 AromaticContact CZ-CZ3 3.94Å; F412-W443 HydrophobicContact CZ-CZ3 3.94Å; L430-W443 WeakPolarHBondContact CA-O 3.49Å; I431-W443 HydrophobicContact CG2-CE3 4.45Å; I431-W443 PolarHBondContact N-O 2.86Å; I431-W443 PolarHBondContact O-N 2.96Å; F435-W443 AromaticContact CE2-CH2 3.66Å; F435-W443 HydrophobicContact CE2-CH2 3.66Å; F435-W443 HydrophobicContact CE2-CZ2 4.28Å; F435-W443 AromaticContact CZ-CH2 3.65Å; F435-W443 HydrophobicContact CZ-CH2 3.65Å; F435-W443 HydrophobicContact CZ-CZ2 4.07Å; R441-W443 HydrophobicContact CB-CE3 4.42Å; R441-W443 HydrophobicContact CB-CH2 3.47Å; R441-W443 VanDerWaalsContact CB-CH2 3.47Å; R441-W443 HydrophobicContact CB-CZ2 3.54Å; R441-W443 HydrophobicContact CB-CZ3 3.93Å; R441-W443 HydrophobicContact CG-CH2 4.44Å; R441-W443 HydrophobicContact CG-CZ2 4.36Å; R441-W443 VanDerWaalsContact O-CZ3 3.26Å; R441-W443 WeakPolarHBondContact O-CZ3 3.28Å; W443-S482 VanDerWaalsContact CD1-CB 3.43Å
444	S	92.6	Very high	90.8	Very high	23 Å²	23	50.9 Å²	50.9	16%	0.161	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127.4	165.3	-169.9	0	0	0	0	109.7	T446 K448 E481	S444-T446 PolarHBondContact OG-O 3.47Å; S444-T446 PolarHBondContact OG-OG1 2.84Å; S444-K448 VanDerWaalsContact CB-O 3.29Å; S444-K448 WeakPolarHBondContact CB-O 3.44Å; S444-K448 PolarHBondContact OG-O 3.46Å; S444-E481 PolarHBondContact N-O 2.88Å
445	V	89.3	Confident	90.4	Very high	56 Å²	56	55.1 Å²	55.1	34%	0.339	29%	0.285	S	S	.	.	S	Bend	trans	-85.7	-28.3	172.8	-175.6	0	0	0	0	110.4	Y410 S429 I431	Y410-V445 WeakPolarHBondContact OH-CG1 3.33Å; S429-V445 PolarHBondContact O-N 3.42Å; I431-V445 HydrophobicContact CB-CG2 4.3Å; I431-V445 HydrophobicContact CD1-CG2 3.38Å; I431-V445 HydrophobicContact CG1-CG2 3.43Å; I431-V445 VanDerWaalsContact CG1-CG2 3.43Å
446	T	86.9	Confident	90	Very high	53 Å²	53	58.4 Å²	58.4	33%	0.325	31%	0.313	S	S	.	.	S	Bend	trans	-80.3	157.4	176.4	62.6	0	0	0	0	110.9	S444 K448	S444-T446 PolarHBondContact OG-O 3.47Å; S444-T446 PolarHBondContact OG-OG1 2.84Å; T446-K448 PolarHBondContact O-N 3.04Å
447	P	82.4	Confident	89.7	Confident	134 Å²	134	59.5 Å²	59.5	87%	0.87	32%	0.322	S	S	*	.	S	Bend	trans	-64	-8.9	177.6	26.6	-36.3	0	0	0	113.8	K449	P447-K449 PolarHBondContact O-N 3.4Å
448	K	85.9	Confident	89.3	Confident	166 Å²	166	60.4 Å²	60.4	72%	0.722	33%	0.327	S	S	*	.	S	Bend	trans	-73.6	117.6	175.2	-67	-174.8	178.2	-176.3	0	109.5	S444 T446	S444-K448 VanDerWaalsContact CB-O 3.29Å; S444-K448 WeakPolarHBondContact CB-O 3.44Å; S444-K448 PolarHBondContact OG-O 3.46Å; T446-K448 PolarHBondContact O-N 3.04Å
449	K	88.5	Confident	88.8	Confident	117 Å²	117	61.9 Å²	61.9	51%	0.509	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-71.1	149.4	177	-65.6	-176.8	178.2	-178	0	111.4	P447 R451 A479	P447-K449 PolarHBondContact O-N 3.4Å; K449-R451 PolarHBondContact O-N 3.04Å; K449-A479 HydrophobicContact CB-CB 4Å; K449-A479 HydrophobicContact CD-CB 4.07Å
450	L	89.5	Confident	88.4	Confident	16 Å²	16	68.4 Å²	68.4	8%	0.084	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	122.2	174.8	-60.1	179.5	0	0	0	109.9	L430 V442 A479 S480 K483 F521	L430-L450 HydrophobicContact CD2-CD2 3.55Å; V442-L450 HydrophobicContact CB-CD1 4.45Å; V442-L450 HydrophobicContact CG1-CD1 4.17Å; L450-A479 WeakPolarHBondContact O-CA 3.21Å; L450-S480 WeakPolarHBondContact CB-O 3.47Å; L450-S480 PolarHBondContact N-O 2.79Å; L450-S480 PolarHBondContact O-N 2.98Å; L450-K483 HydrophobicContact CB-CG 4.06Å; L450-K483 HydrophobicContact CD1-CB 4.33Å; L450-K483 HydrophobicContact CD1-CG 3.93Å; L450-F521 HydrophobicContact CB-CE2 4.27Å; L450-F521 HydrophobicContact CB-CZ 3.9Å; L450-F521 HydrophobicContact CD1-CE1 4.13Å; L450-F521 HydrophobicContact CD1-CZ 4.04Å; L450-F521 HydrophobicContact CD2-CZ 4.05Å; L450-F521 HydrophobicContact CG-CZ 4.22Å
451	R	89.9	Confident	87.9	Confident	74 Å²	74	75.3 Å²	75.3	28%	0.279	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.4	179.8	-63.4	-179.6	-69.5	-179.4	1.2	109.7	K449 M474 D476 A479	K449-R451 PolarHBondContact O-N 3.04Å; R451-M474 HydrophobicContact CB-CB 4.1Å; R451-M474 HydrophobicContact CB-CE 3.85Å; R451-M474 WeakPolarHBondContact O-CE 3.5Å; R451-D476 WeakPolarHBondContact CD-OD1 3.27Å; R451-D476 IonicContact CZ-OD1 3.76Å; R451-D476 IonicContact NE-OD1 2.65Å; R451-D476 IonicContact NH1-OD1 2.67Å; R451-D476 PolarHBondContact NH1-OD1 2.82Å; R451-A479 HydrophobicContact CG-CB 4.14Å
452	K	87.3	Confident	87.4	Confident	77 Å²	77	73.7 Å²	73.7	34%	0.335	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	151.7	170.5	-67.1	-175.2	173.1	-168.6	0	110	D475 T478 L519 F521	K452-D475 PolarHBondContact O-N 2.97Å; K452-T478 HydrophobicContact CB-CG2 4.3Å; K452-T478 WeakPolarHBondContact CB-OG1 3.2Å; K452-T478 HydrophobicContact CD-CG2 4.44Å; K452-T478 PolarHBondContact N-OG1 3.19Å; K452-L519 WeakPolarHBondContact CA-O 3.48Å; K452-F521 HydrophobicContact CG-CD2 4.03Å
453	V	88.1	Confident	86.7	Confident	38 Å²	38	78.4 Å²	78.4	23%	0.23	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	141.3	166.1	179.9	0	0	0	0	109.6	L459 M474 L519	V453-L459 HydrophobicContact CG1-CD1 3.86Å; V453-L459 HydrophobicContact CG1-CD2 4.01Å; V453-L459 HydrophobicContact CG1-CG 4.43Å; V453-M474 HydrophobicContact CG2-CE 4.4Å; V453-M474 HydrophobicContact CG2-SD 3.83Å; V453-L519 HydrophobicContact CG2-CB 3.82Å; V453-L519 PolarHBondContact N-O 3.41Å; V453-L519 VanDerWaalsContact N-O 3.11Å
454	K	88.1	Confident	86	Confident	63 Å²	63	84.3 Å²	84.3	27%	0.274	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-59.1	160.3	175.6	-76.3	176.7	179.7	169.7	0	112.1	D458 L459 I462 R472 I473 M474 D475	K454-D458 HydrophobicContact CB-CB 4Å; K454-D458 HydrophobicContact CD-CB 4.27Å; K454-L459 HydrophobicContact CB-CD2 3.93Å; K454-L459 HydrophobicContact CB-CG 4.12Å; K454-L459 WeakPolarHBondContact O-CD1 3.21Å; K454-I462 HydrophobicContact CD-CD1 4.19Å; K454-R472 WeakPolarHBondContact CD-O 3.38Å; K454-R472 WeakPolarHBondContact CE-O 3.31Å; K454-R472 PolarHBondContact NZ-O 2.84Å; K454-I473 WeakPolarHBondContact CB-O 3.41Å; K454-I473 WeakPolarHBondContact CG-O 3.37Å; K454-I473 PolarHBondContact N-O 3.16Å; K454-M474 WeakPolarHBondContact CE-O 3.36Å; K454-D475 HydrophobicContact CG-CB 3.77Å
455	T	86	Confident	85.5	Confident	88 Å²	88	91.6 Å²	91.6	54%	0.54	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-66.5	157.7	177.9	71.1	0	0	0	0	111.4	A457 D458 L459	T455-A457 PolarHBondContact O-N 2.68Å; T455-A457 VanDerWaalsContact O-N 3.12Å; T455-D458 PolarHBondContact O-N 2.84Å; T455-D458 PolarHBondContact OG1-OD2 3.29Å; T455-L459 WeakPolarHBondContact O-CG 3.13Å; T455-L459 PolarHBondContact O-N 2.7Å
456	A	84.8	Confident	85.2	Confident	74 Å²	74	90 Å²	90	61%	0.612	47%	0.474	S	S	*	.	H	α-helix	trans	-55.8	-32.8	-178.3	0	0	0	0	0	113.6	N460	A456-N460 VanDerWaalsContact O-CG 3.31Å; A456-N460 PolarHBondContact O-N 2.99Å; A456-N460 PolarHBondContact O-ND2 2.9Å
457	A	86.3	Confident	84.6	Confident	66 Å²	66	95.9 Å²	95.9	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-67.3	-43.5	176.8	0	0	0	0	0	112	T455 N460	T455-A457 PolarHBondContact O-N 2.68Å; T455-A457 VanDerWaalsContact O-N 3.12Å; A457-N460 PolarHBondContact O-N 2.94Å
458	D	83.7	Confident	84.5	Confident	74 Å²	74	92.1 Å²	92.1	40%	0.396	48%	0.477	S	S	.	.	H	α-helix	trans	-72.9	-32.9	179.5	-59.7	-41.8	0	0	0	111.9	K454 T455 N460 L461	K454-D458 HydrophobicContact CB-CB 4Å; K454-D458 HydrophobicContact CD-CB 4.27Å; T455-D458 PolarHBondContact O-N 2.84Å; T455-D458 PolarHBondContact OG1-OD2 3.29Å; D458-N460 VanDerWaalsContact C-N 3.32Å; D458-N460 PolarHBondContact O-N 3.29Å; D458-L461 WeakPolarHBondContact O-CB 3.34Å; D458-L461 PolarHBondContact O-N 2.83Å
459	L	83.9	Confident	84.3	Confident	54 Å²	54	85.7 Å²	85.7	28%	0.283	45%	0.451	S	S	.	.	H	α-helix	trans	-65.8	-34	175.8	-70.1	175.5	0	0	0	112.4	V453 K454 T455 L461 I462 I473	V453-L459 HydrophobicContact CG1-CD1 3.86Å; V453-L459 HydrophobicContact CG1-CD2 4.01Å; V453-L459 HydrophobicContact CG1-CG 4.43Å; K454-L459 HydrophobicContact CB-CD2 3.93Å; K454-L459 HydrophobicContact CB-CG 4.12Å; K454-L459 WeakPolarHBondContact O-CD1 3.21Å; T455-L459 WeakPolarHBondContact O-CG 3.13Å; T455-L459 PolarHBondContact O-N 2.7Å; L459-L461 PolarHBondContact O-N 2.92Å; L459-I462 HydrophobicContact CD2-CD1 3.95Å; L459-I462 PolarHBondContact O-N 3Å; L459-I462 VanDerWaalsContact O-N 3.15Å; L459-I473 HydrophobicContact CD2-CB 3.8Å; L459-I473 HydrophobicContact CD2-CG2 3.82Å
460	N	84.3	Confident	83.8	Confident	142 Å²	142	86.6 Å²	86.6	76%	0.759	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.6	177	-74.9	-22	0	0	0	113.2	A456 A457 D458 I462	A456-N460 VanDerWaalsContact O-CG 3.31Å; A456-N460 PolarHBondContact O-N 2.99Å; A456-N460 PolarHBondContact O-ND2 2.9Å; A457-N460 PolarHBondContact O-N 2.94Å; D458-N460 VanDerWaalsContact C-N 3.32Å; D458-N460 PolarHBondContact O-N 3.29Å; N460-I462 VanDerWaalsContact C-N 3.33Å
461	L	85.1	Confident	83.3	Confident	145 Å²	145	92 Å²	92	76%	0.759	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-8	177.9	-61.6	170.5	0	0	0	112.8	D458 L459	D458-L461 WeakPolarHBondContact O-CB 3.34Å; D458-L461 PolarHBondContact O-N 2.83Å; L459-L461 PolarHBondContact O-N 2.92Å
462	I	84.6	Confident	82.9	Confident	25 Å²	25	93.6 Å²	93.6	13%	0.128	49%	0.492	C	S	.	.	S	Bend	trans	-88.9	130.1	-177.1	-59.4	172.4	0	0	0	109.3	K454 L459 N460 K464 R472 I473	K454-I462 HydrophobicContact CD-CD1 4.19Å; L459-I462 HydrophobicContact CD2-CD1 3.95Å; L459-I462 PolarHBondContact O-N 3Å; L459-I462 VanDerWaalsContact O-N 3.15Å; N460-I462 VanDerWaalsContact C-N 3.33Å; I462-K464 PolarHBondContact O-N 2.78Å; I462-R472 HydrophobicContact CD1-CB 4.32Å; I462-R472 VanDerWaalsContact CD1-O 3.24Å; I462-R472 WeakPolarHBondContact CD1-O 3.49Å; I462-R472 HydrophobicContact CG2-CB 4.05Å; I462-I473 HydrophobicContact CD1-CG2 4.08Å
463	D	80.4	Confident	82.8	Confident	98 Å²	98	91.9 Å²	91.9	52%	0.524	49%	0.486	S	S	.	.			trans	-71.8	118.6	172.6	-177.3	7.8	0	0	0	110.9	E465 S466 V469	D463-E465 VanDerWaalsContact C-N 3.27Å; D463-E465 PolarHBondContact O-N 3.11Å; D463-E465 PolarHBondContact OD1-N 3.24Å; D463-E465 VanDerWaalsContact OD1-N 3.14Å; D463-S466 PolarHBondContact O-N 3.19Å; D463-S466 PolarHBondContact O-OG 2.86Å; D463-V469 WeakPolarHBondContact O-CG2 3.44Å
464	K	79.6	Confident	82.7	Confident	188 Å²	188	91.2 Å²	91.2	82%	0.817	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.2	-175.8	-62.4	179.5	-176.9	176.9	0	113.7	I462 S466	I462-K464 PolarHBondContact O-N 2.78Å; K464-S466 VanDerWaalsContact C-N 3.35Å
465	E	81.9	Confident	82.6	Confident	175 Å²	175	90 Å²	90	82%	0.818	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.7	-179.4	-63.7	-175.7	177.5	0	0	112.6	D463	D463-E465 VanDerWaalsContact C-N 3.27Å; D463-E465 PolarHBondContact O-N 3.11Å; D463-E465 PolarHBondContact OD1-N 3.24Å; D463-E465 VanDerWaalsContact OD1-N 3.14Å
466	S	81.6	Confident	82.5	Confident	22 Å²	22	90.8 Å²	90.8	15%	0.154	48%	0.478	C	S	.	.			trans	-75.6	139.8	-179.7	59.5	0	0	0	0	113.2	D463 K464 D468 V469 R472	D463-S466 PolarHBondContact O-N 3.19Å; D463-S466 PolarHBondContact O-OG 2.86Å; K464-S466 VanDerWaalsContact C-N 3.35Å; S466-D468 PolarHBondContact O-N 2.76Å; S466-V469 WeakPolarHBondContact O-CB 3.42Å; S466-V469 WeakPolarHBondContact O-CG2 3.19Å; S466-V469 PolarHBondContact O-N 2.89Å; S466-V469 VanDerWaalsContact O-N 3.17Å; S466-V469 VanDerWaalsContact OG-CG2 3.29Å; S466-V469 WeakPolarHBondContact OG-CG2 3.24Å; S466-R472 PolarHBondContact OG-NH1 2.89Å
467	D	74.6	Confident	82.6	Confident	177 Å²	177	96.6 Å²	96.6	95%	0.947	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.9	-177	-65.8	-32.7	0	0	0	113
468	D	81.1	Confident	82.6	Confident	56 Å²	56	95.2 Å²	95.2	30%	0.299	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	19.5	178.9	65.5	-33.6	0	0	0	113.7	S466 L470 E471 R472	S466-D468 PolarHBondContact O-N 2.76Å; D468-L470 VanDerWaalsContact C-N 3.26Å; D468-L470 PolarHBondContact O-N 3.05Å; D468-E471 PolarHBondContact O-N 3.05Å; D468-R472 PolarHBondContact O-N 2.93Å; D468-R472 IonicContact OD1-CZ 3.99Å; D468-R472 IonicContact OD1-NE 2.88Å; D468-R472 IonicContact OD1-NH1 3.69Å; D468-R472 PolarHBondContact OD1-NH1 2.8Å; D468-R472 IonicContact OD1-NH2 3.6Å; D468-R472 PolarHBondContact OD1-NH2 3.36Å; D468-R472 IonicContact OD2-CZ 3.44Å; D468-R472 IonicContact OD2-NE 2.96Å; D468-R472 PolarHBondContact OD2-NE 2.86Å; D468-R472 IonicContact OD2-NH1 2.84Å; D468-R472 IonicContact OD2-NH2 3.8Å; D468-R472 PolarHBondContact OD2-NH2 3.35Å
469	V	82	Confident	82.8	Confident	30 Å²	30	93.5 Å²	93.5	18%	0.182	47%	0.47	C	S	.	.	H	α-helix	trans	-48.3	-47.9	175.6	165	0	0	0	0	111.8	D463 S466 E471 R472 I473	D463-V469 WeakPolarHBondContact O-CG2 3.44Å; S466-V469 WeakPolarHBondContact O-CB 3.42Å; S466-V469 WeakPolarHBondContact O-CG2 3.19Å; S466-V469 PolarHBondContact O-N 2.89Å; S466-V469 VanDerWaalsContact O-N 3.17Å; S466-V469 VanDerWaalsContact OG-CG2 3.29Å; S466-V469 WeakPolarHBondContact OG-CG2 3.24Å; V469-E471 PolarHBondContact O-N 2.94Å; V469-R472 PolarHBondContact O-N 3.4Å; V469-I473 HydrophobicContact CG1-CG2 4Å; V469-I473 WeakPolarHBondContact O-CG1 3.17Å; V469-I473 WeakPolarHBondContact O-CG2 3.36Å; V469-I473 PolarHBondContact O-N 2.92Å
470	L	76.9	Confident	83.1	Confident	137 Å²	137	92.6 Å²	92.6	72%	0.717	47%	0.469	S	S	*	.	H	α-helix	trans	-63.6	-25.8	-176.2	-69.2	177.9	0	0	0	113.4	D468 I473 M474	D468-L470 VanDerWaalsContact C-N 3.26Å; D468-L470 PolarHBondContact O-N 3.05Å; L470-I473 HydrophobicContact CD2-CD1 3.98Å; L470-I473 VanDerWaalsContact O-CG1 3.25Å; L470-I473 WeakPolarHBondContact O-CG1 3.44Å; L470-M474 WeakPolarHBondContact O-CG 3.41Å
471	E	79.8	Confident	83.3	Confident	128 Å²	128	92.5 Å²	92.5	60%	0.598	46%	0.463	S	S	*	.	H	α-helix	trans	-82.6	-41.6	171.5	-63.6	-160	149.7	0	0	111	D468 V469 I473 M474	D468-E471 PolarHBondContact O-N 3.05Å; V469-E471 PolarHBondContact O-N 2.94Å; E471-I473 VanDerWaalsContact C-N 3.32Å; E471-I473 PolarHBondContact O-N 3.43Å; E471-M474 PolarHBondContact O-N 3Å; E471-M474 VanDerWaalsContact O-N 3.15Å
472	R	81.6	Confident	83.6	Confident	109 Å²	109	88.4 Å²	88.4	41%	0.411	45%	0.447	S	S	.	.	H	α-helix	trans	-66.3	-28.6	-179.3	-71.7	-172	179.8	132.2	8.1	113.9	K454 I462 S466 D468 V469 M474	K454-R472 WeakPolarHBondContact CD-O 3.38Å; K454-R472 WeakPolarHBondContact CE-O 3.31Å; K454-R472 PolarHBondContact NZ-O 2.84Å; I462-R472 HydrophobicContact CD1-CB 4.32Å; I462-R472 VanDerWaalsContact CD1-O 3.24Å; I462-R472 WeakPolarHBondContact CD1-O 3.49Å; I462-R472 HydrophobicContact CG2-CB 4.05Å; S466-R472 PolarHBondContact OG-NH1 2.89Å; D468-R472 PolarHBondContact O-N 2.93Å; D468-R472 IonicContact OD1-CZ 3.99Å; D468-R472 IonicContact OD1-NE 2.88Å; D468-R472 IonicContact OD1-NH1 3.69Å; D468-R472 PolarHBondContact OD1-NH1 2.8Å; D468-R472 IonicContact OD1-NH2 3.6Å; D468-R472 PolarHBondContact OD1-NH2 3.36Å; D468-R472 IonicContact OD2-CZ 3.44Å; D468-R472 IonicContact OD2-NE 2.96Å; D468-R472 PolarHBondContact OD2-NE 2.86Å; D468-R472 IonicContact OD2-NH1 2.84Å; D468-R472 IonicContact OD2-NH2 3.8Å; D468-R472 PolarHBondContact OD2-NH2 3.35Å; V469-R472 PolarHBondContact O-N 3.4Å; R472-M474 PolarHBondContact O-N 2.84Å
473	I	85.1	Confident	83.9	Confident	41 Å²	41	88.7 Å²	88.7	21%	0.21	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-20	176	60.7	172.1	0	0	0	112.7	K454 L459 I462 V469 L470 E471	K454-I473 WeakPolarHBondContact CB-O 3.41Å; K454-I473 WeakPolarHBondContact CG-O 3.37Å; K454-I473 PolarHBondContact N-O 3.16Å; L459-I473 HydrophobicContact CD2-CB 3.8Å; L459-I473 HydrophobicContact CD2-CG2 3.82Å; I462-I473 HydrophobicContact CD1-CG2 4.08Å; V469-I473 HydrophobicContact CG1-CG2 4Å; V469-I473 WeakPolarHBondContact O-CG1 3.17Å; V469-I473 WeakPolarHBondContact O-CG2 3.36Å; V469-I473 PolarHBondContact O-N 2.92Å; L470-I473 HydrophobicContact CD2-CD1 3.98Å; L470-I473 VanDerWaalsContact O-CG1 3.25Å; L470-I473 WeakPolarHBondContact O-CG1 3.44Å; E471-I473 VanDerWaalsContact C-N 3.32Å; E471-I473 PolarHBondContact O-N 3.43Å
474	M	85.9	Confident	84.5	Confident	24 Å²	24	86.1 Å²	86.1	12%	0.118	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	140.6	-178.5	-55.7	-55.6	-72.3	0	0	110.4	R451 V453 K454 L470 E471 R472	R451-M474 HydrophobicContact CB-CB 4.1Å; R451-M474 HydrophobicContact CB-CE 3.85Å; R451-M474 WeakPolarHBondContact O-CE 3.5Å; V453-M474 HydrophobicContact CG2-CE 4.4Å; V453-M474 HydrophobicContact CG2-SD 3.83Å; K454-M474 WeakPolarHBondContact CE-O 3.36Å; L470-M474 WeakPolarHBondContact O-CG 3.41Å; E471-M474 PolarHBondContact O-N 3Å; E471-M474 VanDerWaalsContact O-N 3.15Å; R472-M474 PolarHBondContact O-N 2.84Å
475	D	85.5	Confident	85.3	Confident	37 Å²	37	77.3 Å²	77.3	20%	0.198	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	105	177.8	-172.8	7.2	0	0	0	111.1	K452 K454 K477 T478	K452-D475 PolarHBondContact O-N 2.97Å; K454-D475 HydrophobicContact CG-CB 3.77Å; D475-K477 PolarHBondContact O-N 2.69Å; D475-K477 WeakPolarHBondContact OD1-CB 3.45Å; D475-K477 WeakPolarHBondContact OD1-CG 3.37Å; D475-K477 PolarHBondContact OD1-N 2.99Å; D475-T478 HydrophobicContact CB-CG2 4.26Å; D475-T478 PolarHBondContact O-N 2.87Å; D475-T478 VanDerWaalsContact O-N 3.14Å; D475-T478 PolarHBondContact O-OG1 2.88Å; D475-T478 WeakPolarHBondContact OD2-CG2 3.24Å
476	D	84.4	Confident	85.9	Confident	105 Å²	105	77.1 Å²	77.1	56%	0.561	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	-23.7	177.5	-66.9	-31.7	0	0	0	113.2	R451 T478 A479	R451-D476 WeakPolarHBondContact CD-OD1 3.27Å; R451-D476 IonicContact CZ-OD1 3.76Å; R451-D476 IonicContact NE-OD1 2.65Å; R451-D476 IonicContact NH1-OD1 2.67Å; R451-D476 PolarHBondContact NH1-OD1 2.82Å; D476-T478 PolarHBondContact O-N 2.83Å; D476-A479 WeakPolarHBondContact O-CB 3.46Å; D476-A479 PolarHBondContact O-N 3.46Å; D476-A479 VanDerWaalsContact O-N 3.09Å
477	K	86	Confident	86.4	Confident	195 Å²	195	77.4 Å²	77.4	85%	0.848	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	-26.3	176.2	-62.6	176.6	-178	172.8	0	112	D475 A479	D475-K477 PolarHBondContact O-N 2.69Å; D475-K477 WeakPolarHBondContact OD1-CB 3.45Å; D475-K477 WeakPolarHBondContact OD1-CG 3.37Å; D475-K477 PolarHBondContact OD1-N 2.99Å; K477-A479 VanDerWaalsContact C-N 3.33Å
478	T	85.9	Confident	87.5	Confident	38 Å²	38	69.6 Å²	69.6	23%	0.233	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	5.5	179.4	68.2	0	0	0	0	113.1	K452 D475 D476 S480 K483	K452-T478 HydrophobicContact CB-CG2 4.3Å; K452-T478 WeakPolarHBondContact CB-OG1 3.2Å; K452-T478 HydrophobicContact CD-CG2 4.44Å; K452-T478 PolarHBondContact N-OG1 3.19Å; D475-T478 HydrophobicContact CB-CG2 4.26Å; D475-T478 PolarHBondContact O-N 2.87Å; D475-T478 VanDerWaalsContact O-N 3.14Å; D475-T478 PolarHBondContact O-OG1 2.88Å; D475-T478 WeakPolarHBondContact OD2-CG2 3.24Å; D476-T478 PolarHBondContact O-N 2.83Å; T478-S480 PolarHBondContact O-N 3.35Å; T478-K483 PolarHBondContact O-NZ 3.32Å
479	A	87.9	Confident	88.1	Confident	38 Å²	38	71.9 Å²	71.9	31%	0.314	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	117.9	-176.3	0	0	0	0	0	112	K449 L450 R451 D476 K477	K449-A479 HydrophobicContact CB-CB 4Å; K449-A479 HydrophobicContact CD-CB 4.07Å; L450-A479 WeakPolarHBondContact O-CA 3.21Å; R451-A479 HydrophobicContact CG-CB 4.14Å; D476-A479 WeakPolarHBondContact O-CB 3.46Å; D476-A479 PolarHBondContact O-N 3.46Å; D476-A479 VanDerWaalsContact O-N 3.09Å; K477-A479 VanDerWaalsContact C-N 3.33Å
480	S	90.4	Very high	88.7	Confident	35 Å²	35	70.8 Å²	70.8	25%	0.245	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.8	172.1	62.8	0	0	0	0	111.1	L450 T478 S482 K483	L450-S480 WeakPolarHBondContact CB-O 3.47Å; L450-S480 PolarHBondContact N-O 2.79Å; L450-S480 PolarHBondContact O-N 2.98Å; T478-S480 PolarHBondContact O-N 3.35Å; S480-S482 VanDerWaalsContact C-N 3.34Å; S480-S482 WeakPolarHBondContact CB-O 3.3Å; S480-S482 PolarHBondContact OG-O 3.24Å; S480-K483 WeakPolarHBondContact OG-CD 3.43Å; S480-K483 WeakPolarHBondContact OG-CE 3.35Å; S480-K483 PolarHBondContact OG-NZ 2.97Å
481	E	88.9	Confident	89.6	Confident	139 Å²	139	65.4 Å²	65.4	65%	0.65	34%	0.344	S	S	*	.	S	Bend	trans	-75	-29.1	178.4	-67.9	173.9	-177.5	0	0	112	S444	S444-E481 PolarHBondContact N-O 2.88Å
482	S	90.6	Very high	90.4	Very high	59 Å²	59	59.3 Å²	59.3	41%	0.413	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	152.5	175.7	67	0	0	0	0	112	V442 W443 S480	V442-S482 CarbonylContact O-C 3.56Å; V442-S482 WeakPolarHBondContact O-CA 3.41Å; W443-S482 VanDerWaalsContact CD1-CB 3.43Å; S480-S482 VanDerWaalsContact C-N 3.34Å; S480-S482 WeakPolarHBondContact CB-O 3.3Å; S480-S482 PolarHBondContact OG-O 3.24Å
483	K	92.5	Very high	91.1	Very high	31 Å²	31	57.2 Å²	57.2	14%	0.135	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.2	172.1	-68.8	-65.6	-173.2	-155.8	0	109.2	R441 V442 L450 T478 S480 F521	R441-K483 WeakPolarHBondContact CA-O 3.21Å; V442-K483 PolarHBondContact N-O 3.06Å; V442-K483 PolarHBondContact O-N 3.33Å; L450-K483 HydrophobicContact CB-CG 4.06Å; L450-K483 HydrophobicContact CD1-CB 4.33Å; L450-K483 HydrophobicContact CD1-CG 3.93Å; T478-K483 PolarHBondContact O-NZ 3.32Å; S480-K483 WeakPolarHBondContact OG-CD 3.43Å; S480-K483 WeakPolarHBondContact OG-CE 3.35Å; S480-K483 PolarHBondContact OG-NZ 2.97Å; K483-F521 HydrophobicContact CB-CD1 3.69Å; K483-F521 HydrophobicContact CB-CE1 3.98Å; K483-F521 HydrophobicContact CB-CG 4.13Å; K483-F521 HydrophobicContact CG-CD1 3.84Å; K483-F521 HydrophobicContact CG-CD2 4.13Å; K483-F521 HydrophobicContact CG-CE1 3.9Å; K483-F521 HydrophobicContact CG-CE2 4.18Å; K483-F521 HydrophobicContact CG-CG 3.95Å; K483-F521 HydrophobicContact CG-CZ 4.08Å
484	C	93.2	Very high	91.6	Very high	44 Å²	44	55.3 Å²	55.3	30%	0.297	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.8	173.1	-166.3	0	0	0	0	109.5	R441 Y486	R441-C484 HydrophobicContact CG-CB 4.43Å; C484-Y486 HydrophobicContact CB-CE2 3.93Å; C484-Y486 PolarHBondContact SG-OH 3.07Å
485	L	95.1	Very high	92.2	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.2	-179.9	-57.4	176.7	0	0	0	108.2	V440 V442 L504 W516 F521	V440-L485 HydrophobicContact CB-CB 4.12Å; V440-L485 HydrophobicContact CB-CD1 4.34Å; V440-L485 HydrophobicContact CG1-CD1 4.13Å; V440-L485 PolarHBondContact N-O 2.68Å; V440-L485 VanDerWaalsContact N-O 3.17Å; V440-L485 WeakPolarHBondContact O-CB 3.33Å; V440-L485 PolarHBondContact O-N 2.98Å; V442-L485 HydrophobicContact CG2-CD1 4.11Å; L485-L504 HydrophobicContact CD1-CD2 4.11Å; L485-W516 HydrophobicContact CB-CD2 4.2Å; L485-W516 HydrophobicContact CB-CE3 3.8Å; L485-W516 HydrophobicContact CB-CH2 4.06Å; L485-W516 HydrophobicContact CB-CZ2 4.42Å; L485-W516 HydrophobicContact CB-CZ3 3.72Å; L485-W516 HydrophobicContact CD1-CB 4.01Å; L485-W516 HydrophobicContact CD1-CD2 3.8Å; L485-W516 HydrophobicContact CD1-CE3 3.92Å; L485-W516 HydrophobicContact CD1-CG 3.83Å; L485-W516 HydrophobicContact CD2-CE3 4.01Å; L485-W516 HydrophobicContact CD2-CZ3 4.43Å; L485-W516 HydrophobicContact CG-CD2 4.46Å; L485-W516 HydrophobicContact CG-CE3 4.13Å; L485-F521 HydrophobicContact CD2-CB 3.69Å; L485-F521 HydrophobicContact CD2-CD1 4.18Å; L485-F521 HydrophobicContact CD2-CG 4.45Å; L485-F521 VanDerWaalsContact CD2-O 3.23Å; L485-F521 WeakPolarHBondContact CD2-O 3.45Å
486	Y	94.8	Very high	92.7	Very high	171 Å²	171	53.4 Å²	53.4	67%	0.671	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	132.9	179	-61.4	-81.4	0	0	0	109.9	T439 C484 W516	T439-Y486 HydrophobicContact CG2-CD1 3.75Å; T439-Y486 HydrophobicContact CG2-CE1 3.51Å; C484-Y486 HydrophobicContact CB-CE2 3.93Å; C484-Y486 PolarHBondContact SG-OH 3.07Å; Y486-W516 WeakPolarHBondContact O-CH2 3.3Å
487	G	92.8	Very high	93.3	Very high	28 Å²	28	49 Å²	49	29%	0.289	27%	0.266	S	S	.	.			trans	177.9	-39.5	172.5	0	0	0	0	0	113.9	R514	G487-R514 VanDerWaalsContact CA-NH1 3.26Å; G487-R514 PolarHBondContact O-NH1 3.04Å; G487-R514 PolarHBondContact O-NH2 3.46Å
488	H	96.2	Very high	93.8	Very high	13 Å²	13	40 Å²	40	6%	0.06	23%	0.227	C	C	.	.			trans	-64.2	158	178.7	-78.3	-66.8	0	0	0	112	S438 V492 S506 S508 D510 T512 R514	S438-H488 WeakPolarHBondContact CB-O 3.22Å; H488-V492 HydrophobicContact CB-CG2 4.37Å; H488-S506 PolarHBondContact CD2-OG 3.43Å; H488-S506 PolarHBondContact NE2-OG 3.34Å; H488-S508 VanDerWaalsContact CE1-CB 3.43Å; H488-S508 WeakPolarHBondContact CE1-CB 3.42Å; H488-S508 WeakPolarHBondContact ND1-CB 3.39Å; H488-D510 WeakPolarHBondContact CA-OD2 3.28Å; H488-D510 IonicContact CE1-OD1 3.01Å; H488-D510 IonicContact CG-OD2 3.04Å; H488-D510 IonicContact ND1-OD1 2.76Å; H488-D510 PolarHBondContact ND1-OD1 3.33Å; H488-D510 IonicContact ND1-OD2 3.8Å; H488-D510 PolarHBondContact ND1-OD2 2.79Å; H488-T512 PolarHBondContact CE1-OG1 3Å; H488-T512 PolarHBondContact ND1-OG1 2.97Å; H488-R514 VanDerWaalsContact CE1-CD 3.43Å; H488-R514 WeakPolarHBondContact CE1-CD 3.38Å; H488-R514 PolarHBondContact ND1-NE 2.81Å
489	S	94.5	Very high	94.1	Very high	104 Å²	104	40.7 Å²	40.7	73%	0.727	23%	0.233	S	C	*	.	S	Bend	trans	-118.3	12.8	178	-56.2	0	0	0	0	113.1	D510	S489-D510 PolarHBondContact N-OD2 3.27Å
490	G	94.4	Very high	94.1	Very high	8 Å²	8	40.6 Å²	40.6	8%	0.082	23%	0.227	C	C	.	.	S	Bend	trans	-154.1	175.4	170.1	0	0	0	0	0	111.9	S438 S508	S438-G490 VanDerWaalsContact CA-O 3.25Å; S438-G490 WeakPolarHBondContact CA-O 3.31Å; S438-G490 VanDerWaalsContact CB-O 3.23Å; S438-G490 WeakPolarHBondContact CB-O 3.49Å; S438-G490 WeakPolarHBondContact OG-CA 3.32Å; S438-G490 PolarHBondContact OG-N 2.75Å; S438-G490 PolarHBondContact OG-O 2.94Å; S438-G490 VanDerWaalsContact OG-O 3.09Å; G490-S508 VanDerWaalsContact C-OG 3.32Å; G490-S508 PolarHBondContact O-OG 3.14Å
491	P	96	Very high	94.1	Very high	24 Å²	24	42.4 Å²	42.4	16%	0.156	23%	0.228	C	C	.	.			trans	-44.4	143.1	173.2	-29.8	34.3	0	0	0	113.8	A436 Y493 S508 E509	A436-P491 HydrophobicContact CB-CB 4.37Å; A436-P491 HydrophobicContact CB-CG 4.33Å; P491-Y493 HydrophobicContact CB-CE1 4.03Å; P491-Y493 HydrophobicContact CB-CE2 4.33Å; P491-S508 CarbonylContact O-C 3.49Å; P491-S508 WeakPolarHBondContact O-CA 3.13Å; P491-S508 WeakPolarHBondContact O-CB 3.34Å; P491-S508 PolarHBondContact O-OG 3.37Å; P491-E509 WeakPolarHBondContact CD-OE2 3.34Å; P491-E509 WeakPolarHBondContact CG-OE2 3.15Å; P491-E509 PolarHBondContact O-N 3.27Å
492	V	96.9	Very high	94.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	104.8	179.6	179.7	0	0	0	0	110	T420 F435 V440 H488 I495 C507	T420-V492 WeakPolarHBondContact CB-O 3.4Å; T420-V492 PolarHBondContact OG1-O 2.97Å; F435-V492 PolarHBondContact O-N 3.45Å; V440-V492 HydrophobicContact CG2-CB 4.47Å; V440-V492 HydrophobicContact CG2-CG1 4.01Å; V440-V492 HydrophobicContact CG2-CG2 3.91Å; H488-V492 HydrophobicContact CB-CG2 4.37Å; V492-I495 HydrophobicContact CG1-CD1 4.13Å; V492-I495 HydrophobicContact CG1-CG1 3.85Å; V492-C507 CarbonylContact C-O 3.57Å; V492-C507 VanDerWaalsContact CA-O 3.3Å; V492-C507 WeakPolarHBondContact CA-O 3.27Å; V492-C507 WeakPolarHBondContact CG1-O 3.43Å
493	Y	96.2	Very high	94.5	Very high	64 Å²	64	39 Å²	39	25%	0.251	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-23.8	-172.6	-63.9	-61.2	0	0	0	115.1	T420 A421 P491 C507 E509 P533 W535	T420-Y493 HydrophobicContact CG2-CD1 4.47Å; A421-Y493 VanDerWaalsContact CB-O 3.31Å; A421-Y493 WeakPolarHBondContact CB-O 3.47Å; P491-Y493 HydrophobicContact CB-CE1 4.03Å; P491-Y493 HydrophobicContact CB-CE2 4.33Å; Y493-C507 PolarHBondContact N-O 3.44Å; Y493-E509 HydrophobicContact CE2-CB 3.69Å; Y493-E509 HydrophobicContact CE2-CG 4.07Å; Y493-E509 PolarHBondContact OH-OE2 3.41Å; Y493-P533 HydrophobicContact CE2-CB 4.44Å; Y493-W535 CarbonylContact C-O 3.53Å; Y493-W535 VanDerWaalsContact CB-O 3.28Å; Y493-W535 WeakPolarHBondContact CB-O 3.48Å; Y493-W535 HydrophobicContact CD1-CE3 4.17Å; Y493-W535 HydrophobicContact CD1-CZ3 4.07Å; Y493-W535 AromaticContact CD2-CE3 3.61Å; Y493-W535 HydrophobicContact CD2-CE3 3.61Å; Y493-W535 AromaticContact CD2-CZ3 3.66Å; Y493-W535 HydrophobicContact CD2-CZ3 3.66Å; Y493-W535 HydrophobicContact CE1-CE3 4.43Å; Y493-W535 AromaticContact CE1-CZ3 3.86Å; Y493-W535 HydrophobicContact CE1-CZ3 3.86Å; Y493-W535 AromaticContact CE2-CE3 3.87Å; Y493-W535 HydrophobicContact CE2-CE3 3.87Å; Y493-W535 HydrophobicContact CE2-CH2 4.22Å; Y493-W535 AromaticContact CE2-CZ3 3.39Å; Y493-W535 HydrophobicContact CE2-CZ3 3.39Å; Y493-W535 AromaticContact CG-CE3 3.77Å; Y493-W535 HydrophobicContact CG-CE3 3.77Å; Y493-W535 AromaticContact CG-CZ3 3.98Å; Y493-W535 HydrophobicContact CG-CZ3 3.98Å; Y493-W535 AromaticContact CZ-CZ3 3.5Å
494	G	96	Very high	94.8	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	144	-178.2	0	0	0	0	0	111.7	S506 C507	G494-S506 CarbonylContact O-C 3.5Å; G494-S506 WeakPolarHBondContact O-CA 3.4Å; G494-C507 WeakPolarHBondContact CA-SG 3.43Å; G494-C507 PolarHBondContact N-SG 2.78Å; G494-C507 PolarHBondContact O-N 3.15Å
495	I	97.1	Very high	95	Very high	12 Å²	12	35.5 Å²	35.5	6%	0.062	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	140.3	178.5	-66.1	179.7	0	0	0	108.2	A421 D423 A432 G434 V440 V492 L504 L505	A421-I495 HydrophobicContact CB-CB 4.48Å; A421-I495 HydrophobicContact CB-CD1 4.29Å; A421-I495 HydrophobicContact CB-CG1 4.07Å; D423-I495 HydrophobicContact CB-CG2 4.18Å; D423-I495 WeakPolarHBondContact CB-O 3.44Å; A432-I495 HydrophobicContact CB-CG2 3.89Å; G434-I495 VanDerWaalsContact CA-CD1 3.41Å; V440-I495 HydrophobicContact CG1-CD1 3.94Å; V440-I495 HydrophobicContact CG2-CD1 4.49Å; V492-I495 HydrophobicContact CG1-CD1 4.13Å; V492-I495 HydrophobicContact CG1-CG1 3.85Å; I495-L504 HydrophobicContact CG2-CD1 3.41Å; I495-L504 VanDerWaalsContact CG2-CD1 3.41Å; I495-L504 HydrophobicContact CG2-CD2 4.46Å; I495-L504 HydrophobicContact CG2-CG 4.11Å; I495-L505 VanDerWaalsContact CA-O 3.27Å; I495-L505 WeakPolarHBondContact CA-O 3.22Å
496	S	97.6	Very high	95.1	Very high	9 Å²	9	35.3 Å²	35.3	6%	0.063	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	127.4	174.7	-178.3	0	0	0	0	111.8	D423 L505 T537 F539	D423-S496 VanDerWaalsContact OD2-CA 3.28Å; D423-S496 WeakPolarHBondContact OD2-CA 3.37Å; S496-L505 PolarHBondContact N-O 2.85Å; S496-L505 PolarHBondContact O-N 3.2Å; S496-T537 WeakPolarHBondContact CB-O 3.32Å; S496-F539 WeakPolarHBondContact O-CD2 3.36Å; S496-F539 WeakPolarHBondContact O-CE2 3.33Å; S496-F539 PolarHBondContact OG-N 2.82Å
497	F	97.4	Very high	95.2	Very high	13 Å²	13	27.2 Å²	27.2	6%	0.057	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	143.3	170.5	-78.5	-79.2	0	0	0	111.7	D423 T425 L430 A432 V442 L504 L518 F539	D423-F497 HydrophobicContact CB-CD2 4.09Å; D423-F497 HydrophobicContact CB-CE2 4.47Å; D423-F497 WeakPolarHBondContact O-CE2 3.3Å; D423-F497 PolarHBondContact OD2-N 3.44Å; T425-F497 HydrophobicContact CG2-CB 4.01Å; T425-F497 HydrophobicContact CG2-CD1 3.47Å; T425-F497 VanDerWaalsContact CG2-CD1 3.47Å; T425-F497 HydrophobicContact CG2-CD2 3.79Å; T425-F497 HydrophobicContact CG2-CE1 3.75Å; T425-F497 HydrophobicContact CG2-CE2 4.03Å; T425-F497 HydrophobicContact CG2-CG 3.48Å; T425-F497 VanDerWaalsContact CG2-CG 3.48Å; T425-F497 HydrophobicContact CG2-CZ 4.01Å; L430-F497 HydrophobicContact CB-CE1 4.13Å; L430-F497 HydrophobicContact CB-CZ 3.92Å; L430-F497 HydrophobicContact CD1-CE1 4.23Å; A432-F497 HydrophobicContact CB-CE1 4.41Å; A432-F497 HydrophobicContact CB-CE2 3.51Å; A432-F497 HydrophobicContact CB-CZ 3.42Å; A432-F497 VanDerWaalsContact CB-CZ 3.42Å; V442-F497 HydrophobicContact CG1-CZ 4.44Å; F497-L504 HydrophobicContact CD1-CD1 3.67Å; F497-L504 HydrophobicContact CD2-CD1 4.08Å; F497-L504 HydrophobicContact CE1-CD1 3.73Å; F497-L504 HydrophobicContact CE2-CD1 4.13Å; F497-L504 HydrophobicContact CG-CD1 3.86Å; F497-L504 HydrophobicContact CZ-CD1 3.97Å; F497-L518 HydrophobicContact CD1-CD1 3.7Å; F497-L518 HydrophobicContact CE1-CD1 3.69Å; F497-L518 HydrophobicContact CE1-CD2 4.32Å; F497-F539 WeakPolarHBondContact O-CD2 3.38Å
498	S	95.3	Very high	95.5	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.028	14%	0.138	C	C	.	.			trans	-71.3	146.7	167.7	63	0	0	0	0	110.5	D500 R501 N502 Y503	S498-D500 WeakPolarHBondContact CB-OD1 3.5Å; S498-D500 PolarHBondContact O-N 3.39Å; S498-D500 VanDerWaalsContact O-N 3.14Å; S498-D500 PolarHBondContact OG-OD1 2.98Å; S498-R501 PolarHBondContact O-N 3.19Å; S498-N502 PolarHBondContact OG-N 3.09Å; S498-Y503 PolarHBondContact N-O 2.92Å; S498-Y503 WeakPolarHBondContact OG-CA 3.26Å; S498-Y503 PolarHBondContact OG-N 3.07Å; S498-Y503 PolarHBondContact OG-O 3.38Å; S498-Y503 VanDerWaalsContact OG-O 3.04Å
499	P	91.7	Very high	95.5	Very high	54 Å²	54	29.5 Å²	29.5	35%	0.351	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.5	178	-26.2	34.7	0	0	0	113.8	R501 S540 P541	P499-R501 VanDerWaalsContact C-N 3.31Å; P499-S540 WeakPolarHBondContact CG-O 3.41Å; P499-P541 WeakPolarHBondContact CG-O 3.22Å
500	D	88.9	Confident	95.5	Very high	35 Å²	35	26.9 Å²	26.9	19%	0.187	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-4.3	178	71.5	-13.3	0	0	0	113.8	S498 N502	S498-D500 WeakPolarHBondContact CB-OD1 3.5Å; S498-D500 PolarHBondContact O-N 3.39Å; S498-D500 VanDerWaalsContact O-N 3.14Å; S498-D500 PolarHBondContact OG-OD1 2.98Å; D500-N502 VanDerWaalsContact CG-ND2 3.28Å; D500-N502 PolarHBondContact O-N 3.12Å; D500-N502 VanDerWaalsContact O-N 3.16Å; D500-N502 PolarHBondContact OD1-N 3.29Å; D500-N502 PolarHBondContact OD2-ND2 2.98Å
501	R	90.7	Very high	95.6	Very high	74 Å²	74	26.8 Å²	26.8	28%	0.279	13%	0.131	S	C	.	.	S	Bend	trans	60	16.3	-178.2	-54.6	164.5	-71.5	-154.9	-12.9	114.6	D385 T425 D427 S498 P499 L518	D385-R501 IonicContact OD1-CZ 3.53Å; D385-R501 IonicContact OD1-NH1 3.38Å; D385-R501 PolarHBondContact OD1-NH1 2.89Å; D385-R501 IonicContact OD1-NH2 3.48Å; D385-R501 PolarHBondContact OD1-NH2 3.2Å; D385-R501 IonicContact OD2-NH2 2.8Å; T425-R501 HydrophobicContact CG2-CG 4.14Å; D427-R501 VanDerWaalsContact CG-NH1 3.35Å; D427-R501 WeakPolarHBondContact OD2-CD 3.38Å; D427-R501 IonicContact OD2-CZ 2.74Å; D427-R501 IonicContact OD2-NE 3.92Å; D427-R501 IonicContact OD2-NH1 3.97Å; D427-R501 PolarHBondContact OD2-NH1 2.87Å; S498-R501 PolarHBondContact O-N 3.19Å; P499-R501 VanDerWaalsContact C-N 3.31Å; R501-L518 VanDerWaalsContact O-CD1 3.25Å; R501-L518 WeakPolarHBondContact O-CD1 3.14Å
502	N	91.7	Very high	95.6	Very high	49 Å²	49	26.2 Å²	26.2	26%	0.262	13%	0.127	S	C	.	.	S	Bend	trans	-89.5	-24.1	176.7	-67.5	-42.2	0	0	0	112.6	S498 D500 L518	S498-N502 PolarHBondContact OG-N 3.09Å; D500-N502 VanDerWaalsContact CG-ND2 3.28Å; D500-N502 PolarHBondContact O-N 3.12Å; D500-N502 VanDerWaalsContact O-N 3.16Å; D500-N502 PolarHBondContact OD1-N 3.29Å; D500-N502 PolarHBondContact OD2-ND2 2.98Å; N502-L518 PolarHBondContact O-N 3.19Å
503	Y	95.8	Very high	95.6	Very high	78 Å²	78	26.3 Å²	26.3	31%	0.306	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	156.1	-174.3	-54.2	-70.5	0	0	0	112.7	S498 L515 W516 L524	S498-Y503 PolarHBondContact N-O 2.92Å; S498-Y503 WeakPolarHBondContact OG-CA 3.26Å; S498-Y503 PolarHBondContact OG-N 3.07Å; S498-Y503 PolarHBondContact OG-O 3.38Å; S498-Y503 VanDerWaalsContact OG-O 3.04Å; Y503-L515 HydrophobicContact CD1-CD1 4.26Å; Y503-L515 HydrophobicContact CD1-CD2 4.19Å; Y503-L515 HydrophobicContact CD1-CG 4.14Å; Y503-L515 HydrophobicContact CG-CD1 4.08Å; Y503-L515 HydrophobicContact CG-CG 4.46Å; Y503-W516 CarbonylContact C-O 3.58Å; Y503-W516 VanDerWaalsContact CA-O 3.24Å; Y503-W516 WeakPolarHBondContact CA-O 3.28Å; Y503-L524 HydrophobicContact CD1-CD1 3.88Å; Y503-L524 HydrophobicContact CE1-CD1 3.52Å
504	L	97.7	Very high	95.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.2	172	-178.9	70.1	0	0	0	108.2	A432 V440 V442 L485 I495 F497 W516 L518	A432-L504 HydrophobicContact CB-CD1 3.96Å; A432-L504 HydrophobicContact CB-CD2 4.01Å; V440-L504 HydrophobicContact CG1-CD2 3.72Å; V442-L504 HydrophobicContact CG2-CD2 3.77Å; L485-L504 HydrophobicContact CD1-CD2 4.11Å; I495-L504 HydrophobicContact CG2-CD1 3.41Å; I495-L504 VanDerWaalsContact CG2-CD1 3.41Å; I495-L504 HydrophobicContact CG2-CD2 4.46Å; I495-L504 HydrophobicContact CG2-CG 4.11Å; F497-L504 HydrophobicContact CD1-CD1 3.67Å; F497-L504 HydrophobicContact CD2-CD1 4.08Å; F497-L504 HydrophobicContact CE1-CD1 3.73Å; F497-L504 HydrophobicContact CE2-CD1 4.13Å; F497-L504 HydrophobicContact CG-CD1 3.86Å; F497-L504 HydrophobicContact CZ-CD1 3.97Å; L504-W516 HydrophobicContact CB-CB 4.22Å; L504-W516 PolarHBondContact N-O 2.94Å; L504-W516 PolarHBondContact O-N 2.96Å; L504-L518 HydrophobicContact CB-CD1 4.42Å; L504-L518 HydrophobicContact CB-CD2 4.03Å; L504-L518 HydrophobicContact CB-CG 4.27Å
505	L	98	Very high	95.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	142	167.9	-74.9	168.1	0	0	0	109.6	I495 S496 V513 R514 L515 Y527 T537 F539 F546	I495-L505 VanDerWaalsContact CA-O 3.27Å; I495-L505 WeakPolarHBondContact CA-O 3.22Å; S496-L505 PolarHBondContact N-O 2.85Å; S496-L505 PolarHBondContact O-N 3.2Å; L505-V513 HydrophobicContact CD2-CG1 3.94Å; L505-R514 WeakPolarHBondContact CA-O 3.34Å; L505-L515 HydrophobicContact CD2-CB 4.22Å; L505-L515 HydrophobicContact CD2-CD1 3.73Å; L505-L515 HydrophobicContact CG-CD1 4.12Å; L505-Y527 HydrophobicContact CD2-CE2 4.26Å; L505-T537 HydrophobicContact CB-CG2 4.18Å; L505-F539 HydrophobicContact CB-CD2 4.37Å; L505-F539 HydrophobicContact CB-CE2 3.9Å; L505-F539 HydrophobicContact CB-CZ 4.45Å; L505-F539 HydrophobicContact CD1-CD1 3.82Å; L505-F539 HydrophobicContact CD1-CD2 3.51Å; L505-F539 HydrophobicContact CD1-CE1 3.63Å; L505-F539 HydrophobicContact CD1-CE2 3.35Å; L505-F539 HydrophobicContact CD1-CG 3.78Å; L505-F539 HydrophobicContact CD1-CZ 3.4Å; L505-F539 VanDerWaalsContact CD1-CZ 3.4Å; L505-F539 HydrophobicContact CD2-CZ 4.26Å; L505-F539 HydrophobicContact CG-CD2 3.95Å; L505-F539 HydrophobicContact CG-CE1 4.1Å; L505-F539 HydrophobicContact CG-CE2 3.29Å; L505-F539 HydrophobicContact CG-CZ 3.38Å; L505-F546 HydrophobicContact CD1-CB 3.38Å; L505-F546 HydrophobicContact CD1-CD1 4Å; L505-F546 HydrophobicContact CD1-CD2 3.7Å; L505-F546 HydrophobicContact CD1-CE2 4.47Å; L505-F546 HydrophobicContact CD1-CG 3.43Å; L505-F546 VanDerWaalsContact CD1-CG 3.43Å; L505-F546 HydrophobicContact CD2-CD2 4.37Å; L505-F546 HydrophobicContact CD2-CE1 4.49Å; L505-F546 HydrophobicContact CD2-CE2 4.35Å; L505-F546 HydrophobicContact CD2-CG 4.45Å; L505-F546 HydrophobicContact CD2-CZ 4.41Å
506	S	97.9	Very high	95.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143.7	166.5	62.7	0	0	0	0	110.3	H488 G494 V513 R514 W516	H488-S506 PolarHBondContact CD2-OG 3.43Å; H488-S506 PolarHBondContact NE2-OG 3.34Å; G494-S506 CarbonylContact O-C 3.5Å; G494-S506 WeakPolarHBondContact O-CA 3.4Å; S506-V513 CarbonylContact O-C 3.57Å; S506-V513 VanDerWaalsContact O-CA 3.3Å; S506-V513 WeakPolarHBondContact O-CA 3.23Å; S506-V513 WeakPolarHBondContact O-CG1 3.25Å; S506-R514 PolarHBondContact N-O 2.87Å; S506-R514 PolarHBondContact O-N 2.79Å; S506-W516 PolarHBondContact OG-NE1 2.78Å
507	C	97.3	Very high	95.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.8	173.8	71.7	0	0	0	0	110.8	V492 Y493 G494 V513 V534 T537	V492-C507 CarbonylContact C-O 3.57Å; V492-C507 VanDerWaalsContact CA-O 3.3Å; V492-C507 WeakPolarHBondContact CA-O 3.27Å; V492-C507 WeakPolarHBondContact CG1-O 3.43Å; Y493-C507 PolarHBondContact N-O 3.44Å; G494-C507 WeakPolarHBondContact CA-SG 3.43Å; G494-C507 PolarHBondContact N-SG 2.78Å; G494-C507 PolarHBondContact O-N 3.15Å; C507-V513 HydrophobicContact CB-CG2 3.96Å; C507-V534 HydrophobicContact CB-CB 3.83Å; C507-V534 HydrophobicContact CB-CG1 3.55Å; C507-V534 PolarHBondContact SG-O 2.92Å; C507-T537 HydrophobicContact CB-CG2 3.81Å
508	S	97.4	Very high	95.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	164.1	-168.3	175.4	0	0	0	0	112.9	H488 G490 P491 D510 G511 T512 V534	H488-S508 VanDerWaalsContact CE1-CB 3.43Å; H488-S508 WeakPolarHBondContact CE1-CB 3.42Å; H488-S508 WeakPolarHBondContact ND1-CB 3.39Å; G490-S508 VanDerWaalsContact C-OG 3.32Å; G490-S508 PolarHBondContact O-OG 3.14Å; P491-S508 CarbonylContact O-C 3.49Å; P491-S508 WeakPolarHBondContact O-CA 3.13Å; P491-S508 WeakPolarHBondContact O-CB 3.34Å; P491-S508 PolarHBondContact O-OG 3.37Å; S508-D510 WeakPolarHBondContact CB-OD1 3.3Å; S508-D510 PolarHBondContact O-N 3.25Å; S508-D510 PolarHBondContact OG-N 2.87Å; S508-G511 PolarHBondContact O-N 3Å; S508-T512 PolarHBondContact N-O 3.13Å; S508-V534 PolarHBondContact O-N 3.32Å
509	E	96.6	Very high	95.3	Very high	90 Å²	90	28.7 Å²	28.7	42%	0.421	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.3	168.2	-159	-178.5	162.9	0	0	112.7	P491 Y493 G511 P533	P491-E509 WeakPolarHBondContact CD-OE2 3.34Å; P491-E509 WeakPolarHBondContact CG-OE2 3.15Å; P491-E509 PolarHBondContact O-N 3.27Å; Y493-E509 HydrophobicContact CE2-CB 3.69Å; Y493-E509 HydrophobicContact CE2-CG 4.07Å; Y493-E509 PolarHBondContact OH-OE2 3.41Å; E509-G511 PolarHBondContact O-N 2.87Å; E509-P533 HydrophobicContact CG-CB 4.05Å; E509-P533 HydrophobicContact CG-CG 3.65Å
510	D	95.8	Very high	95.2	Very high	49 Å²	49	28.5 Å²	28.5	26%	0.262	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	0.2	178.2	72.8	10.4	0	0	0	114.7	H488 S489 S508 T512 R514	H488-D510 WeakPolarHBondContact CA-OD2 3.28Å; H488-D510 IonicContact CE1-OD1 3.01Å; H488-D510 IonicContact CG-OD2 3.04Å; H488-D510 IonicContact ND1-OD1 2.76Å; H488-D510 PolarHBondContact ND1-OD1 3.33Å; H488-D510 IonicContact ND1-OD2 3.8Å; H488-D510 PolarHBondContact ND1-OD2 2.79Å; S489-D510 PolarHBondContact N-OD2 3.27Å; S508-D510 WeakPolarHBondContact CB-OD1 3.3Å; S508-D510 PolarHBondContact O-N 3.25Å; S508-D510 PolarHBondContact OG-N 2.87Å; D510-T512 VanDerWaalsContact C-N 3.25Å; D510-T512 VanDerWaalsContact CG-OG1 3.26Å; D510-T512 PolarHBondContact O-N 3.04Å; D510-T512 WeakPolarHBondContact OD1-CA 3.42Å; D510-T512 VanDerWaalsContact OD1-CB 3.28Å; D510-T512 WeakPolarHBondContact OD1-CB 3.38Å; D510-T512 PolarHBondContact OD1-N 2.81Å; D510-T512 PolarHBondContact OD1-OG1 3Å; D510-T512 PolarHBondContact OD2-OG1 2.92Å; D510-R514 IonicContact OD2-NH2 3.19Å; D510-R514 PolarHBondContact OD2-NH2 2.75Å
511	G	95.1	Very high	95.4	Very high	5 Å²	5	27.5 Å²	27.5	5%	0.052	13%	0.133	C	C	.	.	S	Bend	trans	78.9	4.6	179.6	0	0	0	0	0	114	S508 E509 H530 Y532	S508-G511 PolarHBondContact O-N 3Å; E509-G511 PolarHBondContact O-N 2.87Å; G511-H530 VanDerWaalsContact O-O 3.11Å; G511-Y532 WeakPolarHBondContact CA-O 3.48Å
512	T	96.7	Very high	95.6	Very high	12 Å²	12	27.1 Å²	27.1	7%	0.074	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	145.8	-178	75.8	0	0	0	0	112.3	H488 S508 D510 R514 Y527 K528	H488-T512 PolarHBondContact CE1-OG1 3Å; H488-T512 PolarHBondContact ND1-OG1 2.97Å; S508-T512 PolarHBondContact N-O 3.13Å; D510-T512 VanDerWaalsContact C-N 3.25Å; D510-T512 VanDerWaalsContact CG-OG1 3.26Å; D510-T512 PolarHBondContact O-N 3.04Å; D510-T512 WeakPolarHBondContact OD1-CA 3.42Å; D510-T512 VanDerWaalsContact OD1-CB 3.28Å; D510-T512 WeakPolarHBondContact OD1-CB 3.38Å; D510-T512 PolarHBondContact OD1-N 2.81Å; D510-T512 PolarHBondContact OD1-OG1 3Å; D510-T512 PolarHBondContact OD2-OG1 2.92Å; T512-R514 PolarHBondContact OG1-NE 2.78Å; T512-Y527 WeakPolarHBondContact CA-O 3.49Å; T512-K528 HydrophobicContact CG2-CG 4.05Å
513	V	97.9	Very high	95.8	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133	163.6	-175.5	0	0	0	0	107.4	L505 S506 C507 G526 Y527 V534 F546	L505-V513 HydrophobicContact CD2-CG1 3.94Å; S506-V513 CarbonylContact O-C 3.57Å; S506-V513 VanDerWaalsContact O-CA 3.3Å; S506-V513 WeakPolarHBondContact O-CA 3.23Å; S506-V513 WeakPolarHBondContact O-CG1 3.25Å; C507-V513 HydrophobicContact CB-CG2 3.96Å; V513-G526 CarbonylContact O-C 3.58Å; V513-Y527 HydrophobicContact CB-CD2 4.31Å; V513-Y527 HydrophobicContact CG1-CD2 4.4Å; V513-Y527 PolarHBondContact N-O 3.02Å; V513-Y527 WeakPolarHBondContact O-CD2 3.18Å; V513-Y527 PolarHBondContact O-N 2.79Å; V513-V534 HydrophobicContact CG2-CG1 4.05Å; V513-V534 HydrophobicContact CG2-CG2 4.48Å; V513-F546 HydrophobicContact CB-CE2 4.47Å; V513-F546 HydrophobicContact CG1-CE2 3.91Å
514	R	97.7	Very high	95.8	Very high	43 Å²	43	27.5 Å²	27.5	16%	0.162	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.6	-177	-65.8	-176.3	-172.2	-148.9	13.1	111.5	G487 H488 L505 S506 D510 T512 W516 V525	G487-R514 VanDerWaalsContact CA-NH1 3.26Å; G487-R514 PolarHBondContact O-NH1 3.04Å; G487-R514 PolarHBondContact O-NH2 3.46Å; H488-R514 VanDerWaalsContact CE1-CD 3.43Å; H488-R514 WeakPolarHBondContact CE1-CD 3.38Å; H488-R514 PolarHBondContact ND1-NE 2.81Å; L505-R514 WeakPolarHBondContact CA-O 3.34Å; S506-R514 PolarHBondContact N-O 2.87Å; S506-R514 PolarHBondContact O-N 2.79Å; D510-R514 IonicContact OD2-NH2 3.19Å; D510-R514 PolarHBondContact OD2-NH2 2.75Å; T512-R514 PolarHBondContact OG1-NE 2.78Å; R514-W516 HydrophobicContact CB-CZ2 4.25Å; R514-V525 WeakPolarHBondContact CA-O 3.41Å
515	L	97.8	Very high	95.7	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.2	171.8	-172.1	70.8	0	0	0	109.2	Y503 L505 L524 V525 Y527 F539 T560	Y503-L515 HydrophobicContact CD1-CD1 4.26Å; Y503-L515 HydrophobicContact CD1-CD2 4.19Å; Y503-L515 HydrophobicContact CD1-CG 4.14Å; Y503-L515 HydrophobicContact CG-CD1 4.08Å; Y503-L515 HydrophobicContact CG-CG 4.46Å; L505-L515 HydrophobicContact CD2-CB 4.22Å; L505-L515 HydrophobicContact CD2-CD1 3.73Å; L505-L515 HydrophobicContact CG-CD1 4.12Å; L515-L524 HydrophobicContact CD2-CD1 4.39Å; L515-L524 PolarHBondContact O-N 2.81Å; L515-V525 HydrophobicContact CB-CB 4.28Å; L515-V525 PolarHBondContact N-O 3.44Å; L515-V525 PolarHBondContact O-N 2.79Å; L515-Y527 HydrophobicContact CB-CE2 3.95Å; L515-F539 HydrophobicContact CD1-CE1 4.5Å; L515-F539 HydrophobicContact CD1-CZ 3.73Å; L515-T560 HydrophobicContact CD2-CG2 4.4Å
516	W	97.5	Very high	95.6	Very high	4 Å²	4	32 Å²	32	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.1	176.3	-53	86.8	0	0	0	109.9	L485 Y486 Y503 L504 S506 R514 T522 C523	L485-W516 HydrophobicContact CB-CD2 4.2Å; L485-W516 HydrophobicContact CB-CE3 3.8Å; L485-W516 HydrophobicContact CB-CH2 4.06Å; L485-W516 HydrophobicContact CB-CZ2 4.42Å; L485-W516 HydrophobicContact CB-CZ3 3.72Å; L485-W516 HydrophobicContact CD1-CB 4.01Å; L485-W516 HydrophobicContact CD1-CD2 3.8Å; L485-W516 HydrophobicContact CD1-CE3 3.92Å; L485-W516 HydrophobicContact CD1-CG 3.83Å; L485-W516 HydrophobicContact CD2-CE3 4.01Å; L485-W516 HydrophobicContact CD2-CZ3 4.43Å; L485-W516 HydrophobicContact CG-CD2 4.46Å; L485-W516 HydrophobicContact CG-CE3 4.13Å; Y486-W516 WeakPolarHBondContact O-CH2 3.3Å; Y503-W516 CarbonylContact C-O 3.58Å; Y503-W516 VanDerWaalsContact CA-O 3.24Å; Y503-W516 WeakPolarHBondContact CA-O 3.28Å; L504-W516 HydrophobicContact CB-CB 4.22Å; L504-W516 PolarHBondContact N-O 2.94Å; L504-W516 PolarHBondContact O-N 2.96Å; S506-W516 PolarHBondContact OG-NE1 2.78Å; R514-W516 HydrophobicContact CB-CZ2 4.25Å; W516-T522 WeakPolarHBondContact CA-O 3.24Å; W516-C523 HydrophobicContact CD2-CB 4.28Å; W516-C523 HydrophobicContact CE3-CB 3.74Å; W516-C523 VanDerWaalsContact CE3-N 3.25Å; W516-C523 HydrophobicContact CH2-CB 3.93Å; W516-C523 HydrophobicContact CZ2-CB 4.45Å; W516-C523 HydrophobicContact CZ3-CB 3.54Å
517	S	95.8	Very high	95.6	Very high	11 Å²	11	32 Å²	32	8%	0.077	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	131	166.5	-178.4	0	0	0	0	109.9	L519 T520 F521 T522	S517-L519 VanDerWaalsContact C-N 3.27Å; S517-L519 PolarHBondContact OG-N 3.09Å; S517-T520 WeakPolarHBondContact CB-OG1 3.27Å; S517-F521 WeakPolarHBondContact O-CA 3.34Å; S517-F521 PolarHBondContact O-N 2.86Å; S517-T522 PolarHBondContact N-O 2.9Å
518	L	92.4	Very high	95.5	Very high	14 Å²	14	40 Å²	40	7%	0.073	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.2	173.2	-65.1	173.2	0	0	0	113	L430 V442 F497 R501 N502 L504 F521	L430-L518 HydrophobicContact CD1-CD1 4.3Å; V442-L518 HydrophobicContact CG1-CD2 4.39Å; V442-L518 HydrophobicContact CG2-CD2 4.24Å; F497-L518 HydrophobicContact CD1-CD1 3.7Å; F497-L518 HydrophobicContact CE1-CD1 3.69Å; F497-L518 HydrophobicContact CE1-CD2 4.32Å; R501-L518 VanDerWaalsContact O-CD1 3.25Å; R501-L518 WeakPolarHBondContact O-CD1 3.14Å; N502-L518 PolarHBondContact O-N 3.19Å; L504-L518 HydrophobicContact CB-CD1 4.42Å; L504-L518 HydrophobicContact CB-CD2 4.03Å; L504-L518 HydrophobicContact CB-CG 4.27Å; L518-F521 HydrophobicContact CD2-CE1 4.14Å; L518-F521 WeakPolarHBondContact O-CE2 3.27Å; L518-F521 WeakPolarHBondContact O-CZ 3.24Å
519	L	90.7	Very high	95.1	Very high	76 Å²	76	41 Å²	41	40%	0.398	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-44.3	174.4	-64	172.6	0	0	0	111.4	K452 V453 S517	K452-L519 WeakPolarHBondContact CA-O 3.48Å; V453-L519 HydrophobicContact CG2-CB 3.82Å; V453-L519 PolarHBondContact N-O 3.41Å; V453-L519 VanDerWaalsContact N-O 3.11Å; S517-L519 VanDerWaalsContact C-N 3.27Å; S517-L519 PolarHBondContact OG-N 3.09Å
520	T	90.6	Very high	95	Very high	50 Å²	50	37.1 Å²	37.1	31%	0.307	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-18.1	179.3	57.5	0	0	0	0	113.2	S517 T522	S517-T520 WeakPolarHBondContact CB-OG1 3.27Å; T520-T522 VanDerWaalsContact C-N 3.33Å; T520-T522 PolarHBondContact OG1-OG1 2.92Å
521	F	93.4	Very high	94.9	Very high	15 Å²	15	42 Å²	42	7%	0.066	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	45.8	-171.6	-63.3	-85.5	0	0	0	112.2	V442 L450 K452 K483 L485 S517 L518	V442-F521 HydrophobicContact CB-CE1 4.41Å; V442-F521 HydrophobicContact CG1-CE1 4.44Å; L450-F521 HydrophobicContact CB-CE2 4.27Å; L450-F521 HydrophobicContact CB-CZ 3.9Å; L450-F521 HydrophobicContact CD1-CE1 4.13Å; L450-F521 HydrophobicContact CD1-CZ 4.04Å; L450-F521 HydrophobicContact CD2-CZ 4.05Å; L450-F521 HydrophobicContact CG-CZ 4.22Å; K452-F521 HydrophobicContact CG-CD2 4.03Å; K483-F521 HydrophobicContact CB-CD1 3.69Å; K483-F521 HydrophobicContact CB-CE1 3.98Å; K483-F521 HydrophobicContact CB-CG 4.13Å; K483-F521 HydrophobicContact CG-CD1 3.84Å; K483-F521 HydrophobicContact CG-CD2 4.13Å; K483-F521 HydrophobicContact CG-CE1 3.9Å; K483-F521 HydrophobicContact CG-CE2 4.18Å; K483-F521 HydrophobicContact CG-CG 3.95Å; K483-F521 HydrophobicContact CG-CZ 4.08Å; L485-F521 HydrophobicContact CD2-CB 3.69Å; L485-F521 HydrophobicContact CD2-CD1 4.18Å; L485-F521 HydrophobicContact CD2-CG 4.45Å; L485-F521 VanDerWaalsContact CD2-O 3.23Å; L485-F521 WeakPolarHBondContact CD2-O 3.45Å; S517-F521 WeakPolarHBondContact O-CA 3.34Å; S517-F521 PolarHBondContact O-N 2.86Å; L518-F521 HydrophobicContact CD2-CE1 4.14Å; L518-F521 WeakPolarHBondContact O-CE2 3.27Å; L518-F521 WeakPolarHBondContact O-CZ 3.24Å
522	T	94.4	Very high	94.9	Very high	66 Å²	66	47.5 Å²	47.5	41%	0.405	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152.6	178.1	59.3	0	0	0	0	110.7	W516 S517 T520 L524	W516-T522 WeakPolarHBondContact CA-O 3.24Å; S517-T522 PolarHBondContact N-O 2.9Å; T520-T522 VanDerWaalsContact C-N 3.33Å; T520-T522 PolarHBondContact OG1-OG1 2.92Å; T522-L524 PolarHBondContact O-N 3.38Å
523	C	96.4	Very high	95	Very high	49 Å²	49	48.1 Å²	48.1	33%	0.331	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	125.9	172.2	-176.7	0	0	0	0	108.9	W516	W516-C523 HydrophobicContact CD2-CB 4.28Å; W516-C523 HydrophobicContact CE3-CB 3.74Å; W516-C523 VanDerWaalsContact CE3-N 3.25Å; W516-C523 HydrophobicContact CH2-CB 3.93Å; W516-C523 HydrophobicContact CZ2-CB 4.45Å; W516-C523 HydrophobicContact CZ3-CB 3.54Å
524	L	94.9	Very high	95	Very high	86 Å²	86	48 Å²	48	45%	0.45	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-52.9	175.6	-62.6	179.4	0	0	0	110.9	Y503 L515 T522	Y503-L524 HydrophobicContact CD1-CD1 3.88Å; Y503-L524 HydrophobicContact CE1-CD1 3.52Å; L515-L524 HydrophobicContact CD2-CD1 4.39Å; L515-L524 PolarHBondContact O-N 2.81Å; T522-L524 PolarHBondContact O-N 3.38Å
525	V	96.3	Very high	95	Very high	50 Å²	50	49.2 Å²	49.2	30%	0.303	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.5	-172	-175.3	0	0	0	0	109.4	R514 L515 Y527	R514-V525 WeakPolarHBondContact CA-O 3.41Å; L515-V525 HydrophobicContact CB-CB 4.28Å; L515-V525 PolarHBondContact N-O 3.44Å; L515-V525 PolarHBondContact O-N 2.79Å; V525-Y527 HydrophobicContact CB-CE2 4.28Å; V525-Y527 HydrophobicContact CG1-CD1 4.08Å; V525-Y527 HydrophobicContact CG1-CD2 4.42Å; V525-Y527 HydrophobicContact CG1-CE1 3.7Å; V525-Y527 HydrophobicContact CG1-CE2 4.1Å; V525-Y527 HydrophobicContact CG1-CG 4.4Å
526	G	95.8	Very high	95	Very high	43 Å²	43	50.5 Å²	50.5	44%	0.443	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	108.2	167	0	0	0	0	0	110	V513	V513-G526 CarbonylContact O-C 3.58Å
527	Y	96.9	Very high	95	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	121.9	174.9	-52.6	-83.6	0	0	0	109.4	L505 T512 V513 L515 V525 F546 W558 T560 H562	L505-Y527 HydrophobicContact CD2-CE2 4.26Å; T512-Y527 WeakPolarHBondContact CA-O 3.49Å; V513-Y527 HydrophobicContact CB-CD2 4.31Å; V513-Y527 HydrophobicContact CG1-CD2 4.4Å; V513-Y527 PolarHBondContact N-O 3.02Å; V513-Y527 WeakPolarHBondContact O-CD2 3.18Å; V513-Y527 PolarHBondContact O-N 2.79Å; L515-Y527 HydrophobicContact CB-CE2 3.95Å; V525-Y527 HydrophobicContact CB-CE2 4.28Å; V525-Y527 HydrophobicContact CG1-CD1 4.08Å; V525-Y527 HydrophobicContact CG1-CD2 4.42Å; V525-Y527 HydrophobicContact CG1-CE1 3.7Å; V525-Y527 HydrophobicContact CG1-CE2 4.1Å; V525-Y527 HydrophobicContact CG1-CG 4.4Å; Y527-F546 AromaticContact CD1-CZ 3.98Å; Y527-F546 HydrophobicContact CD1-CZ 3.98Å; Y527-F546 HydrophobicContact CD2-CE1 4.23Å; Y527-F546 HydrophobicContact CD2-CE2 4.21Å; Y527-F546 AromaticContact CD2-CZ 3.45Å; Y527-F546 HydrophobicContact CD2-CZ 3.45Å; Y527-F546 VanDerWaalsContact CD2-CZ 3.45Å; Y527-F546 HydrophobicContact CE1-CE1 4.09Å; Y527-F546 AromaticContact CE1-CZ 3.98Å; Y527-F546 HydrophobicContact CE1-CZ 3.98Å; Y527-F546 AromaticContact CE2-CE1 3.74Å; Y527-F546 HydrophobicContact CE2-CE1 3.74Å; Y527-F546 HydrophobicContact CE2-CE2 4.43Å; Y527-F546 AromaticContact CE2-CZ 3.43Å; Y527-F546 HydrophobicContact CE2-CZ 3.43Å; Y527-F546 VanDerWaalsContact CE2-CZ 3.43Å; Y527-F546 AromaticContact CG-CZ 3.74Å; Y527-F546 HydrophobicContact CG-CZ 3.74Å; Y527-F546 AromaticContact CZ-CE1 3.69Å; Y527-F546 AromaticContact CZ-CZ 3.73Å; Y527-W558 HydrophobicContact CD1-CE3 4.12Å; Y527-W558 HydrophobicContact CD1-CZ3 4.48Å; Y527-T560 VanDerWaalsContact OH-CA 3.27Å; Y527-T560 WeakPolarHBondContact OH-CA 3.42Å; Y527-T560 PolarHBondContact OH-O 3.45Å; Y527-H562 WeakPolarHBondContact CE1-O 3.06Å
528	K	94.6	Very high	95.1	Very high	166 Å²	166	51.8 Å²	51.8	72%	0.722	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.7	174.7	-65.4	-169.9	175.5	-173.1	0	108.4	T512	T512-K528 HydrophobicContact CG2-CG 4.05Å
529	G	90.4	Very high	95.3	Very high	22 Å²	22	51.6 Å²	51.6	23%	0.227	28%	0.277	C	S	.	.			trans	-161.1	-34	177	0	0	0	0	0	112.5	R556	G529-R556 PolarHBondContact O-NH1 3.09Å; G529-R556 PolarHBondContact O-NH2 3.31Å; G529-R556 VanDerWaalsContact O-NH2 3.13Å
530	H	94.3	Very high	95.6	Very high	9 Å²	9	48 Å²	48	4%	0.042	26%	0.258	C	S	.	.			trans	-81.5	131.7	168.8	-62.2	-94	0	0	0	108.7	G511 Y532 V534 S548 D552 R556	G511-H530 VanDerWaalsContact O-O 3.11Å; H530-Y532 VanDerWaalsContact C-N 3.28Å; H530-Y532 WeakPolarHBondContact CB-O 3.4Å; H530-V534 HydrophobicContact CB-CG2 3.57Å; H530-S548 PolarHBondContact NE2-OG 2.9Å; H530-D552 IonicContact CE1-OD1 3Å; H530-D552 PolarHBondContact CE1-OD1 3.28Å; H530-D552 IonicContact CE1-OD2 2.78Å; H530-D552 IonicContact CG-OD1 3.93Å; H530-D552 IonicContact CG-OD2 3.66Å; H530-D552 IonicContact ND1-OD1 3.45Å; H530-D552 PolarHBondContact ND1-OD1 3.07Å; H530-D552 IonicContact ND1-OD2 3.91Å; H530-D552 PolarHBondContact ND1-OD2 3.33Å; H530-R556 PolarHBondContact CD2-NH1 3.5Å; H530-R556 PolarHBondContact CE1-NH1 2.99Å; H530-R556 VanDerWaalsContact N-NH1 3.15Å; H530-R556 PolarHBondContact ND1-NH1 2.83Å; H530-R556 PolarHBondContact NE2-NH1 2.84Å
531	N	93.4	Very high	95.7	Very high	151 Å²	151	48.3 Å²	48.3	81%	0.807	26%	0.261	S	S	*	.	S	Bend	trans	-89.6	-2.1	170.5	-66.5	-33.3	0	0	0	112
532	Y	96	Very high	95.6	Very high	121 Å²	121	51.4 Å²	51.4	48%	0.475	27%	0.273	S	S	.	.	S	Bend	trans	-130.4	168.2	-174.6	-64.4	-89.8	0	0	0	109.5	G511 H530 V534 H551 D552	G511-Y532 WeakPolarHBondContact CA-O 3.48Å; H530-Y532 VanDerWaalsContact C-N 3.28Å; H530-Y532 WeakPolarHBondContact CB-O 3.4Å; Y532-V534 PolarHBondContact O-N 2.79Å; Y532-H551 AromaticContact CD1-CD2 3.52Å; Y532-H551 AromaticContact CG-CD2 3.9Å; Y532-D552 HydrophobicContact CD2-CB 3.83Å
533	P	97.5	Very high	95.5	Very high	25 Å²	25	48.8 Å²	48.8	16%	0.162	26%	0.259	C	S	.	.			trans	-50.3	137.7	178.5	-32.1	39.3	0	0	0	113.5	Y493 E509 W535 G550 H551	Y493-P533 HydrophobicContact CE2-CB 4.44Å; E509-P533 HydrophobicContact CG-CB 4.05Å; E509-P533 HydrophobicContact CG-CG 3.65Å; P533-W535 HydrophobicContact CB-CH2 4.22Å; P533-W535 HydrophobicContact CB-CZ2 4.17Å; P533-G550 VanDerWaalsContact O-CA 3.27Å; P533-G550 WeakPolarHBondContact O-CA 3.35Å; P533-H551 PolarHBondContact O-N 2.6Å
534	V	98.1	Very high	95.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	114.1	176	-172.6	0	0	0	0	108.4	C507 S508 V513 H530 Y532 G549	C507-V534 HydrophobicContact CB-CB 3.83Å; C507-V534 HydrophobicContact CB-CG1 3.55Å; C507-V534 PolarHBondContact SG-O 2.92Å; S508-V534 PolarHBondContact O-N 3.32Å; V513-V534 HydrophobicContact CG2-CG1 4.05Å; V513-V534 HydrophobicContact CG2-CG2 4.48Å; H530-V534 HydrophobicContact CB-CG2 3.57Å; Y532-V534 PolarHBondContact O-N 2.79Å; V534-G549 CarbonylContact C-O 3.46Å; V534-G549 VanDerWaalsContact CG1-O 3.28Å; V534-G549 WeakPolarHBondContact CG1-O 3.45Å
535	W	97.6	Very high	95.4	Very high	67 Å²	67	47.1 Å²	47.1	25%	0.254	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-39.6	-172.8	-62.3	127.3	0	0	0	112.6	Y493 P533 G549 H551 D575	Y493-W535 CarbonylContact C-O 3.53Å; Y493-W535 VanDerWaalsContact CB-O 3.28Å; Y493-W535 WeakPolarHBondContact CB-O 3.48Å; Y493-W535 HydrophobicContact CD1-CE3 4.17Å; Y493-W535 HydrophobicContact CD1-CZ3 4.07Å; Y493-W535 AromaticContact CD2-CE3 3.61Å; Y493-W535 HydrophobicContact CD2-CE3 3.61Å; Y493-W535 AromaticContact CD2-CZ3 3.66Å; Y493-W535 HydrophobicContact CD2-CZ3 3.66Å; Y493-W535 HydrophobicContact CE1-CE3 4.43Å; Y493-W535 AromaticContact CE1-CZ3 3.86Å; Y493-W535 HydrophobicContact CE1-CZ3 3.86Å; Y493-W535 AromaticContact CE2-CE3 3.87Å; Y493-W535 HydrophobicContact CE2-CE3 3.87Å; Y493-W535 HydrophobicContact CE2-CH2 4.22Å; Y493-W535 AromaticContact CE2-CZ3 3.39Å; Y493-W535 HydrophobicContact CE2-CZ3 3.39Å; Y493-W535 AromaticContact CG-CE3 3.77Å; Y493-W535 HydrophobicContact CG-CE3 3.77Å; Y493-W535 AromaticContact CG-CZ3 3.98Å; Y493-W535 HydrophobicContact CG-CZ3 3.98Å; Y493-W535 AromaticContact CZ-CZ3 3.5Å; P533-W535 HydrophobicContact CB-CH2 4.22Å; P533-W535 HydrophobicContact CB-CZ2 4.17Å; W535-G549 PolarHBondContact N-O 3.48Å; W535-H551 HydrophobicContact CZ2-CB 4.37Å; W535-D575 PolarHBondContact NE1-OD2 3.27Å
536	D	97.9	Very high	95.5	Very high	33 Å²	33	44.8 Å²	44.8	18%	0.176	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	152	-175.2	-174.4	35.8	0	0	0	112.2	S548 G549 T579	D536-S548 WeakPolarHBondContact O-CA 2.98Å; D536-G549 PolarHBondContact N-O 3.47Å; D536-G549 PolarHBondContact O-N 3.17Å; D536-T579 WeakPolarHBondContact OD2-CA 3.36Å; D536-T579 PolarHBondContact OD2-N 3.31Å; D536-T579 VanDerWaalsContact OD2-O 3.07Å; D536-T579 PolarHBondContact OD2-OG1 2.88Å
537	T	97.7	Very high	95.6	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	138.4	175.7	-173.8	0	0	0	0	110.2	S496 L505 C507 I547	S496-T537 WeakPolarHBondContact CB-O 3.32Å; L505-T537 HydrophobicContact CB-CG2 4.18Å; C507-T537 HydrophobicContact CB-CG2 3.81Å; T537-I547 CarbonylContact C-O 3.46Å; T537-I547 WeakPolarHBondContact CA-O 3.44Å; T537-I547 PolarHBondContact OG1-O 2.97Å
538	Q	97.6	Very high	95.7	Very high	41 Å²	41	42.6 Å²	42.6	19%	0.192	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	134.1	179.9	-164.8	-177.4	64.5	0	0	112.5	F546 I547 F581	Q538-F546 CarbonylContact O-C 3.53Å; Q538-F546 WeakPolarHBondContact O-CA 3.5Å; Q538-F546 WeakPolarHBondContact O-CB 3.31Å; Q538-I547 HydrophobicContact CB-CD1 4.38Å; Q538-I547 HydrophobicContact CB-CG1 4.04Å; Q538-I547 PolarHBondContact N-O 3.43Å; Q538-I547 PolarHBondContact O-N 2.86Å; Q538-F581 WeakPolarHBondContact O-CE2 3.33Å
539	F	97.8	Very high	95.8	Very high	10 Å²	10	34.7 Å²	34.7	4%	0.044	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	148.7	167.6	-85.5	-73.5	0	0	0	112.8	S496 F497 L505 L515 F546 T560	S496-F539 WeakPolarHBondContact O-CD2 3.36Å; S496-F539 WeakPolarHBondContact O-CE2 3.33Å; S496-F539 PolarHBondContact OG-N 2.82Å; F497-F539 WeakPolarHBondContact O-CD2 3.38Å; L505-F539 HydrophobicContact CB-CD2 4.37Å; L505-F539 HydrophobicContact CB-CE2 3.9Å; L505-F539 HydrophobicContact CB-CZ 4.45Å; L505-F539 HydrophobicContact CD1-CD1 3.82Å; L505-F539 HydrophobicContact CD1-CD2 3.51Å; L505-F539 HydrophobicContact CD1-CE1 3.63Å; L505-F539 HydrophobicContact CD1-CE2 3.35Å; L505-F539 HydrophobicContact CD1-CG 3.78Å; L505-F539 HydrophobicContact CD1-CZ 3.4Å; L505-F539 VanDerWaalsContact CD1-CZ 3.4Å; L505-F539 HydrophobicContact CD2-CZ 4.26Å; L505-F539 HydrophobicContact CG-CD2 3.95Å; L505-F539 HydrophobicContact CG-CE1 4.1Å; L505-F539 HydrophobicContact CG-CE2 3.29Å; L505-F539 HydrophobicContact CG-CZ 3.38Å; L515-F539 HydrophobicContact CD1-CE1 4.5Å; L515-F539 HydrophobicContact CD1-CZ 3.73Å; F539-F546 HydrophobicContact CD1-CB 4.09Å; F539-T560 HydrophobicContact CE1-CG2 4.05Å
540	S	96.1	Very high	96.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.159	C	C	.	.			trans	-60.5	146.3	163.6	168.8	0	0	0	0	110.6	P499 Y542 G543 Y545 A585	P499-S540 WeakPolarHBondContact CG-O 3.41Å; S540-Y542 PolarHBondContact O-N 3.04Å; S540-Y542 PolarHBondContact OG-N 3.3Å; S540-G543 PolarHBondContact O-N 2.79Å; S540-Y545 VanDerWaalsContact CB-O 3.27Å; S540-Y545 WeakPolarHBondContact CB-O 3.41Å; S540-Y545 PolarHBondContact N-O 3.2Å; S540-A585 WeakPolarHBondContact OG-CB 3.5Å
541	P	92.8	Very high	96.2	Very high	56 Å²	56	36.8 Å²	36.8	36%	0.364	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-23.4	173.2	-27.3	34.4	0	0	0	114.7	P499 F581	P499-P541 WeakPolarHBondContact CG-O 3.22Å; P541-F581 HydrophobicContact CG-CB 4.28Å
542	Y	91.4	Very high	96.2	Very high	81 Å²	81	31 Å²	31	32%	0.318	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	7.1	177.2	-58.4	-76.3	0	0	0	113.4	L323 L375 S540 A585	L323-Y542 HydrophobicContact CD1-CE2 3.76Å; L375-Y542 HydrophobicContact CD1-CD2 4.27Å; L375-Y542 HydrophobicContact CD1-CE2 4.44Å; L375-Y542 HydrophobicContact CD2-CD2 4.21Å; S540-Y542 PolarHBondContact O-N 3.04Å; S540-Y542 PolarHBondContact OG-N 3.3Å; Y542-A585 HydrophobicContact CD2-CB 3.75Å; Y542-A585 HydrophobicContact CE2-CB 4.13Å
543	G	91.3	Very high	96.1	Very high	10 Å²	10	27.2 Å²	27.2	10%	0.103	13%	0.128	C	C	.	.	S	Bend	trans	69.2	-165.7	-173.4	0	0	0	0	0	112.9	S540 Y545	S540-G543 PolarHBondContact O-N 2.79Å; G543-Y545 PolarHBondContact O-N 3.09Å
544	Y	93.5	Very high	96.1	Very high	79 Å²	79	27 Å²	27	31%	0.31	13%	0.126	S	C	.	.	S	Bend	trans	62.8	-52.4	-178.6	-177.2	-99.9	0	0	0	116.2	P376 A559 T560 D561	P376-Y544 HydrophobicContact CG-CD1 4.33Å; P376-Y544 HydrophobicContact CG-CG 3.86Å; Y544-A559 HydrophobicContact CD1-CB 4.35Å; Y544-A559 HydrophobicContact CE1-CB 3.8Å; Y544-A559 WeakPolarHBondContact O-CA 3.45Å; Y544-T560 WeakPolarHBondContact O-CG2 3.26Å; Y544-T560 PolarHBondContact O-N 3.11Å; Y544-T560 PolarHBondContact O-OG1 2.94Å; Y544-D561 PolarHBondContact OH-OD1 3.17Å; Y544-D561 PolarHBondContact OH-OD2 2.55Å; Y544-D561 VanDerWaalsContact OH-OD2 3.11Å
545	Y	96.8	Very high	96.1	Very high	22 Å²	22	27 Å²	27	9%	0.086	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	150.1	171	-57.3	-69.7	0	0	0	111.1	P374 S540 G543 W558 A559 L566	P374-Y545 WeakPolarHBondContact CG-OH 3.44Å; P374-Y545 WeakPolarHBondContact O-CE2 3.44Å; P374-Y545 PolarHBondContact O-OH 2.97Å; S540-Y545 VanDerWaalsContact CB-O 3.27Å; S540-Y545 WeakPolarHBondContact CB-O 3.41Å; S540-Y545 PolarHBondContact N-O 3.2Å; G543-Y545 PolarHBondContact O-N 3.09Å; Y545-W558 VanDerWaalsContact CA-O 3.24Å; Y545-W558 WeakPolarHBondContact CA-O 3.31Å; Y545-A559 HydrophobicContact CD1-CB 4.04Å; Y545-A559 HydrophobicContact CE1-CB 4.12Å; Y545-L566 HydrophobicContact CD1-CD1 3.89Å; Y545-L566 HydrophobicContact CE1-CD1 3.59Å
546	F	97.8	Very high	96.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	162.3	167.4	67.2	-86.1	0	0	0	110	L505 V513 Y527 Q538 F539 W558 T560	L505-F546 HydrophobicContact CD1-CB 3.38Å; L505-F546 HydrophobicContact CD1-CD1 4Å; L505-F546 HydrophobicContact CD1-CD2 3.7Å; L505-F546 HydrophobicContact CD1-CE2 4.47Å; L505-F546 HydrophobicContact CD1-CG 3.43Å; L505-F546 VanDerWaalsContact CD1-CG 3.43Å; L505-F546 HydrophobicContact CD2-CD2 4.37Å; L505-F546 HydrophobicContact CD2-CE1 4.49Å; L505-F546 HydrophobicContact CD2-CE2 4.35Å; L505-F546 HydrophobicContact CD2-CG 4.45Å; L505-F546 HydrophobicContact CD2-CZ 4.41Å; V513-F546 HydrophobicContact CB-CE2 4.47Å; V513-F546 HydrophobicContact CG1-CE2 3.91Å; Y527-F546 AromaticContact CD1-CZ 3.98Å; Y527-F546 HydrophobicContact CD1-CZ 3.98Å; Y527-F546 HydrophobicContact CD2-CE1 4.23Å; Y527-F546 HydrophobicContact CD2-CE2 4.21Å; Y527-F546 AromaticContact CD2-CZ 3.45Å; Y527-F546 HydrophobicContact CD2-CZ 3.45Å; Y527-F546 VanDerWaalsContact CD2-CZ 3.45Å; Y527-F546 HydrophobicContact CE1-CE1 4.09Å; Y527-F546 AromaticContact CE1-CZ 3.98Å; Y527-F546 HydrophobicContact CE1-CZ 3.98Å; Y527-F546 AromaticContact CE2-CE1 3.74Å; Y527-F546 HydrophobicContact CE2-CE1 3.74Å; Y527-F546 HydrophobicContact CE2-CE2 4.43Å; Y527-F546 AromaticContact CE2-CZ 3.43Å; Y527-F546 HydrophobicContact CE2-CZ 3.43Å; Y527-F546 VanDerWaalsContact CE2-CZ 3.43Å; Y527-F546 AromaticContact CG-CZ 3.74Å; Y527-F546 HydrophobicContact CG-CZ 3.74Å; Y527-F546 AromaticContact CZ-CE1 3.69Å; Y527-F546 AromaticContact CZ-CZ 3.73Å; Q538-F546 CarbonylContact O-C 3.53Å; Q538-F546 WeakPolarHBondContact O-CA 3.5Å; Q538-F546 WeakPolarHBondContact O-CB 3.31Å; F539-F546 HydrophobicContact CD1-CB 4.09Å; F546-W558 HydrophobicContact CD1-CB 3.75Å; F546-W558 HydrophobicContact CD2-CB 3.9Å; F546-W558 AromaticContact CD2-CD1 3.81Å; F546-W558 HydrophobicContact CD2-CG 4.08Å; F546-W558 HydrophobicContact CE1-CB 3.3Å; F546-W558 HydrophobicContact CE1-CG 4.15Å; F546-W558 HydrophobicContact CE2-CB 3.46Å; F546-W558 VanDerWaalsContact CE2-CB 3.46Å; F546-W558 AromaticContact CE2-CD1 3.38Å; F546-W558 HydrophobicContact CE2-CD2 4.25Å; F546-W558 AromaticContact CE2-CG 3.42Å; F546-W558 HydrophobicContact CE2-CG 3.42Å; F546-W558 VanDerWaalsContact CE2-CG 3.42Å; F546-W558 HydrophobicContact CG-CB 4.02Å; F546-W558 HydrophobicContact CZ-CB 3.13Å; F546-W558 AromaticContact CZ-CD1 3.94Å; F546-W558 HydrophobicContact CZ-CD2 4.15Å; F546-W558 AromaticContact CZ-CG 3.46Å; F546-W558 HydrophobicContact CZ-CG 3.46Å; F546-W558 VanDerWaalsContact CZ-CG 3.46Å; F546-W558 PolarHBondContact N-O 3.2Å; F546-W558 PolarHBondContact O-N 3.37Å; F546-T560 HydrophobicContact CD1-CG2 4.32Å; F546-T560 HydrophobicContact CE1-CG2 4.5Å
547	I	98.2	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	152	177.2	55.7	-177.4	0	0	0	109.9	T537 Q538 R556 L557 T579 F581 V588	T537-I547 CarbonylContact C-O 3.46Å; T537-I547 WeakPolarHBondContact CA-O 3.44Å; T537-I547 PolarHBondContact OG1-O 2.97Å; Q538-I547 HydrophobicContact CB-CD1 4.38Å; Q538-I547 HydrophobicContact CB-CG1 4.04Å; Q538-I547 PolarHBondContact N-O 3.43Å; Q538-I547 PolarHBondContact O-N 2.86Å; I547-R556 CarbonylContact C-O 3.55Å; I547-R556 WeakPolarHBondContact CA-O 3.4Å; I547-L557 HydrophobicContact CG2-CD1 3.72Å; I547-T579 VanDerWaalsContact CD1-CB 3.49Å; I547-F581 HydrophobicContact CB-CE2 3.99Å; I547-F581 HydrophobicContact CB-CZ 4.39Å; I547-F581 HydrophobicContact CD1-CD2 3.8Å; I547-F581 HydrophobicContact CD1-CE2 3.94Å; I547-F581 HydrophobicContact CD1-CG 4.44Å; I547-F581 HydrophobicContact CG1-CD2 3.93Å; I547-F581 HydrophobicContact CG1-CE2 3.65Å; I547-F581 HydrophobicContact CG1-CZ 4.47Å; I547-F581 HydrophobicContact CG2-CD2 4.35Å; I547-F581 HydrophobicContact CG2-CE1 4.19Å; I547-F581 HydrophobicContact CG2-CE2 3.5Å; I547-F581 VanDerWaalsContact CG2-CE2 3.5Å; I547-F581 HydrophobicContact CG2-CZ 3.42Å; I547-F581 VanDerWaalsContact CG2-CZ 3.42Å; I547-V588 HydrophobicContact CD1-CG1 3.52Å; I547-V588 HydrophobicContact CD1-CG2 4.38Å; I547-V588 HydrophobicContact CG2-CG1 4.15Å; I547-V588 HydrophobicContact CG2-CG2 3.83Å
548	S	98	Very high	96.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	142	169	62.7	0	0	0	0	110.4	H530 D536 A555 R556 W558	H530-S548 PolarHBondContact NE2-OG 2.9Å; D536-S548 WeakPolarHBondContact O-CA 2.98Å; S548-A555 CarbonylContact O-C 3.49Å; S548-A555 WeakPolarHBondContact O-CA 3.12Å; S548-R556 PolarHBondContact N-O 3.27Å; S548-R556 PolarHBondContact O-N 3.28Å; S548-W558 PolarHBondContact OG-NE1 3.25Å
549	G	97.4	Very high	96.1	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.8	173.1	0	0	0	0	0	110.3	V534 W535 D536 V576	V534-G549 CarbonylContact C-O 3.46Å; V534-G549 VanDerWaalsContact CG1-O 3.28Å; V534-G549 WeakPolarHBondContact CG1-O 3.45Å; W535-G549 PolarHBondContact N-O 3.48Å; D536-G549 PolarHBondContact N-O 3.47Å; D536-G549 PolarHBondContact O-N 3.17Å; G549-V576 CarbonylContact C-O 3.45Å
550	G	96	Very high	95.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	-175.9	-175.6	0	0	0	0	0	114.6	P533 D552 R553 V554 V576	P533-G550 VanDerWaalsContact O-CA 3.27Å; P533-G550 WeakPolarHBondContact O-CA 3.35Å; G550-D552 PolarHBondContact O-N 3.34Å; G550-R553 PolarHBondContact O-N 2.53Å; G550-V554 PolarHBondContact N-O 2.91Å; G550-V576 PolarHBondContact N-O 3.38Å; G550-V576 PolarHBondContact O-N 3.04Å
551	H	96.5	Very high	95.8	Very high	74 Å²	74	27.7 Å²	27.7	34%	0.343	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.9	178.3	179.8	80	0	0	0	113.2	Y532 P533 W535 R553 D575	Y532-H551 AromaticContact CD1-CD2 3.52Å; Y532-H551 AromaticContact CG-CD2 3.9Å; P533-H551 PolarHBondContact O-N 2.6Å; W535-H551 HydrophobicContact CZ2-CB 4.37Å; H551-R553 PolarHBondContact O-N 3.46Å; H551-D575 IonicContact CE1-OD1 2.69Å; H551-D575 IonicContact CE1-OD2 2.98Å; H551-D575 IonicContact CG-OD1 3.67Å; H551-D575 IonicContact CG-OD2 2.73Å; H551-D575 IonicContact ND1-OD1 2.74Å; H551-D575 PolarHBondContact ND1-OD1 3.02Å; H551-D575 IonicContact ND1-OD2 3.1Å; H551-D575 PolarHBondContact ND1-OD2 3.4Å
552	D	94.3	Very high	95.9	Very high	31 Å²	31	29.3 Å²	29.3	17%	0.166	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	16.5	173.8	62.1	-15.5	0	0	0	114.2	H530 Y532 G550 V554 R556	H530-D552 IonicContact CE1-OD1 3Å; H530-D552 PolarHBondContact CE1-OD1 3.28Å; H530-D552 IonicContact CE1-OD2 2.78Å; H530-D552 IonicContact CG-OD1 3.93Å; H530-D552 IonicContact CG-OD2 3.66Å; H530-D552 IonicContact ND1-OD1 3.45Å; H530-D552 PolarHBondContact ND1-OD1 3.07Å; H530-D552 IonicContact ND1-OD2 3.91Å; H530-D552 PolarHBondContact ND1-OD2 3.33Å; Y532-D552 HydrophobicContact CD2-CB 3.83Å; G550-D552 PolarHBondContact O-N 3.34Å; D552-V554 WeakPolarHBondContact O-CG2 3.49Å; D552-V554 PolarHBondContact O-N 2.99Å; D552-V554 VanDerWaalsContact O-N 3.11Å; D552-R556 IonicContact OD2-CZ 2.66Å; D552-R556 VanDerWaalsContact OD2-CZ 3.25Å; D552-R556 IonicContact OD2-NH1 3.85Å; D552-R556 PolarHBondContact OD2-NH1 3.4Å; D552-R556 IonicContact OD2-NH2 2.89Å; D552-R556 PolarHBondContact OD2-NH2 3.24Å
553	R	94.8	Very high	95.8	Very high	40 Å²	40	31.8 Å²	31.8	15%	0.151	15%	0.152	C	C	.	.	S	Bend	trans	62.5	15.3	175	-44.7	175.8	-178.1	-153.8	-18.3	114.8	E241 T242 D245 G550 H551 L573 A574	E241-R553 IonicContact OE2-CZ 2.71Å; E241-R553 IonicContact OE2-NE 3.85Å; E241-R553 IonicContact OE2-NH1 3.14Å; E241-R553 IonicContact OE2-NH2 2.94Å; T242-R553 PolarHBondContact OG1-NH2 3.03Å; D245-R553 IonicContact OD2-NH1 3.43Å; D245-R553 PolarHBondContact OD2-NH1 3.31Å; G550-R553 PolarHBondContact O-N 2.53Å; H551-R553 PolarHBondContact O-N 3.46Å; R553-L573 PolarHBondContact NH1-O 3.4Å; R553-L573 VanDerWaalsContact NH1-O 3.15Å; R553-A574 WeakPolarHBondContact CA-O 3.27Å; R553-A574 WeakPolarHBondContact CB-O 3.28Å
554	V	96.6	Very high	95.9	Very high	20 Å²	20	37.4 Å²	37.4	12%	0.121	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.2	-169.2	167.2	0	0	0	0	109.2	G550 D552 R556 I568 A570	G550-V554 PolarHBondContact N-O 2.91Å; D552-V554 WeakPolarHBondContact O-CG2 3.49Å; D552-V554 PolarHBondContact O-N 2.99Å; D552-V554 VanDerWaalsContact O-N 3.11Å; V554-R556 HydrophobicContact CG1-CG 4.11Å; V554-I568 HydrophobicContact CG1-CG2 3.39Å; V554-A570 HydrophobicContact CG2-CB 4.05Å
555	A	98	Very high	96.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	143.9	162.8	0	0	0	0	0	110.3	S548 F569 V576 T579 T590	S548-A555 CarbonylContact O-C 3.49Å; S548-A555 WeakPolarHBondContact O-CA 3.12Å; A555-F569 HydrophobicContact CB-CB 4.15Å; A555-F569 HydrophobicContact CB-CD2 3.93Å; A555-F569 PolarHBondContact N-O 3.14Å; A555-F569 WeakPolarHBondContact O-CB 3.36Å; A555-F569 PolarHBondContact O-N 2.48Å; A555-V576 HydrophobicContact CB-CG1 4.39Å; A555-T579 HydrophobicContact CB-CG2 4.47Å; A555-T590 HydrophobicContact CB-CG2 3.6Å
556	R	98.1	Very high	96	Very high	32 Å²	32	37.6 Å²	37.6	12%	0.121	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.8	178.9	-67.8	-172.9	175.1	98.9	5	110.2	G529 H530 I547 S548 D552 V554 W558 P565 R567	G529-R556 PolarHBondContact O-NH1 3.09Å; G529-R556 PolarHBondContact O-NH2 3.31Å; G529-R556 VanDerWaalsContact O-NH2 3.13Å; H530-R556 PolarHBondContact CD2-NH1 3.5Å; H530-R556 PolarHBondContact CE1-NH1 2.99Å; H530-R556 VanDerWaalsContact N-NH1 3.15Å; H530-R556 PolarHBondContact ND1-NH1 2.83Å; H530-R556 PolarHBondContact NE2-NH1 2.84Å; I547-R556 CarbonylContact C-O 3.55Å; I547-R556 WeakPolarHBondContact CA-O 3.4Å; S548-R556 PolarHBondContact N-O 3.27Å; S548-R556 PolarHBondContact O-N 3.28Å; D552-R556 IonicContact OD2-CZ 2.66Å; D552-R556 VanDerWaalsContact OD2-CZ 3.25Å; D552-R556 IonicContact OD2-NH1 3.85Å; D552-R556 PolarHBondContact OD2-NH1 3.4Å; D552-R556 IonicContact OD2-NH2 2.89Å; D552-R556 PolarHBondContact OD2-NH2 3.24Å; V554-R556 HydrophobicContact CG1-CG 4.11Å; R556-W558 HydrophobicContact CB-CZ2 4.1Å; R556-P565 HydrophobicContact CB-CB 4.02Å; R556-P565 HydrophobicContact CG-CB 4.25Å; R556-R567 WeakPolarHBondContact CA-O 3.47Å
557	L	98.1	Very high	95.9	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	134.1	169.4	-177.9	72.3	0	0	0	109	I547 P565 L566 R567 F569 F581 V602	I547-L557 HydrophobicContact CG2-CD1 3.72Å; L557-P565 CarbonylContact O-C 3.57Å; L557-P565 WeakPolarHBondContact O-CA 3.32Å; L557-L566 HydrophobicContact CD2-CB 4.44Å; L557-L566 PolarHBondContact O-N 3.16Å; L557-R567 HydrophobicContact CB-CB 3.87Å; L557-R567 HydrophobicContact CD2-CB 4.22Å; L557-R567 HydrophobicContact CD2-CG 3.99Å; L557-R567 PolarHBondContact N-O 3.18Å; L557-R567 PolarHBondContact O-N 2.84Å; L557-F569 HydrophobicContact CB-CE2 4.01Å; L557-F569 HydrophobicContact CB-CZ 4.21Å; L557-F581 HydrophobicContact CD1-CE1 4.08Å; L557-F581 HydrophobicContact CD1-CZ 3.64Å; L557-V602 HydrophobicContact CD2-CG1 3.7Å
558	W	97.7	Very high	95.9	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	159	-178.3	-57.5	91.1	0	0	0	110.5	Y527 Y545 F546 S548 R556 H563 Q564 P565	Y527-W558 HydrophobicContact CD1-CE3 4.12Å; Y527-W558 HydrophobicContact CD1-CZ3 4.48Å; Y545-W558 VanDerWaalsContact CA-O 3.24Å; Y545-W558 WeakPolarHBondContact CA-O 3.31Å; F546-W558 HydrophobicContact CD1-CB 3.75Å; F546-W558 HydrophobicContact CD2-CB 3.9Å; F546-W558 AromaticContact CD2-CD1 3.81Å; F546-W558 HydrophobicContact CD2-CG 4.08Å; F546-W558 HydrophobicContact CE1-CB 3.3Å; F546-W558 HydrophobicContact CE1-CG 4.15Å; F546-W558 HydrophobicContact CE2-CB 3.46Å; F546-W558 VanDerWaalsContact CE2-CB 3.46Å; F546-W558 AromaticContact CE2-CD1 3.38Å; F546-W558 HydrophobicContact CE2-CD2 4.25Å; F546-W558 AromaticContact CE2-CG 3.42Å; F546-W558 HydrophobicContact CE2-CG 3.42Å; F546-W558 VanDerWaalsContact CE2-CG 3.42Å; F546-W558 HydrophobicContact CG-CB 4.02Å; F546-W558 HydrophobicContact CZ-CB 3.13Å; F546-W558 AromaticContact CZ-CD1 3.94Å; F546-W558 HydrophobicContact CZ-CD2 4.15Å; F546-W558 AromaticContact CZ-CG 3.46Å; F546-W558 HydrophobicContact CZ-CG 3.46Å; F546-W558 VanDerWaalsContact CZ-CG 3.46Å; F546-W558 PolarHBondContact N-O 3.2Å; F546-W558 PolarHBondContact O-N 3.37Å; S548-W558 PolarHBondContact OG-NE1 3.25Å; R556-W558 HydrophobicContact CB-CZ2 4.1Å; W558-H563 WeakPolarHBondContact CZ3-O 3.35Å; W558-Q564 VanDerWaalsContact CZ3-C 3.42Å; W558-P565 HydrophobicContact CD2-CB 4.1Å; W558-P565 HydrophobicContact CE3-CB 4.06Å; W558-P565 HydrophobicContact CH2-CB 3.99Å; W558-P565 HydrophobicContact CH2-CG 4.1Å; W558-P565 HydrophobicContact CZ2-CB 4.02Å; W558-P565 HydrophobicContact CZ2-CG 4.45Å; W558-P565 HydrophobicContact CZ3-CB 4.01Å; W558-P565 VanDerWaalsContact CZ3-CD 3.47Å; W558-P565 HydrophobicContact CZ3-CG 4.28Å
559	A	96.4	Very high	95.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	149.7	161.9	0	0	0	0	0	109.3	Y544 Y545 D561 H562 L566	Y544-A559 HydrophobicContact CD1-CB 4.35Å; Y544-A559 HydrophobicContact CE1-CB 3.8Å; Y544-A559 WeakPolarHBondContact O-CA 3.45Å; Y545-A559 HydrophobicContact CD1-CB 4.04Å; Y545-A559 HydrophobicContact CE1-CB 4.12Å; A559-D561 VanDerWaalsContact CB-OD1 3.23Å; A559-D561 WeakPolarHBondContact CB-OD1 3.27Å; A559-D561 PolarHBondContact O-N 3.03Å; A559-H562 HydrophobicContact CB-CB 4.46Å; A559-H562 PolarHBondContact O-N 3.28Å; A559-H562 VanDerWaalsContact O-O 3.13Å; A559-L566 HydrophobicContact CB-CD1 3.72Å; A559-L566 HydrophobicContact CB-CG 4.38Å
560	T	94.6	Very high	95.7	Very high	35 Å²	35	50.3 Å²	50.3	22%	0.215	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.3	-174.6	46	0	0	0	0	114.9	L515 Y527 F539 Y544 F546	L515-T560 HydrophobicContact CD2-CG2 4.4Å; Y527-T560 VanDerWaalsContact OH-CA 3.27Å; Y527-T560 WeakPolarHBondContact OH-CA 3.42Å; Y527-T560 PolarHBondContact OH-O 3.45Å; F539-T560 HydrophobicContact CE1-CG2 4.05Å; Y544-T560 WeakPolarHBondContact O-CG2 3.26Å; Y544-T560 PolarHBondContact O-N 3.11Å; Y544-T560 PolarHBondContact O-OG1 2.94Å; F546-T560 HydrophobicContact CD1-CG2 4.32Å; F546-T560 HydrophobicContact CE1-CG2 4.5Å
561	D	94.1	Very high	95.5	Very high	96 Å²	96	51.8 Å²	51.8	51%	0.513	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-14.8	-179	62.6	-27	0	0	0	113.1	Y544 A559	Y544-D561 PolarHBondContact OH-OD1 3.17Å; Y544-D561 PolarHBondContact OH-OD2 2.55Å; Y544-D561 VanDerWaalsContact OH-OD2 3.11Å; A559-D561 VanDerWaalsContact CB-OD1 3.23Å; A559-D561 WeakPolarHBondContact CB-OD1 3.27Å; A559-D561 PolarHBondContact O-N 3.03Å
562	H	93.6	Very high	95.5	Very high	89 Å²	89	48.8 Å²	48.8	41%	0.412	25%	0.254	S	S	.	.			trans	-106.8	127.9	-177.9	-69.7	76.1	0	0	0	111.2	Y527 A559 Q564 L566	Y527-H562 WeakPolarHBondContact CE1-O 3.06Å; A559-H562 HydrophobicContact CB-CB 4.46Å; A559-H562 PolarHBondContact O-N 3.28Å; A559-H562 VanDerWaalsContact O-O 3.13Å; H562-Q564 VanDerWaalsContact C-N 3.3Å; H562-Q564 PolarHBondContact O-N 3.01Å; H562-L566 HydrophobicContact CB-CD2 4.49Å
563	H	90.6	Very high	95.4	Very high	134 Å²	134	48.3 Å²	48.3	62%	0.62	25%	0.251	S	S	*	.	S	Bend	trans	-80.3	-10.2	178.8	77.5	83	0	0	0	113.9	W558	W558-H563 WeakPolarHBondContact CZ3-O 3.35Å
564	Q	93.7	Very high	95.3	Very high	127 Å²	127	46.8 Å²	46.8	59%	0.593	25%	0.248	S	C	*	.	S	Bend	trans	-107	150.2	176.1	-81.6	178	1.6	0	0	110.5	W558 H562	W558-Q564 VanDerWaalsContact CZ3-C 3.42Å; H562-Q564 VanDerWaalsContact C-N 3.3Å; H562-Q564 PolarHBondContact O-N 3.01Å
565	P	96.3	Very high	95.3	Very high	38 Å²	38	47.1 Å²	47.1	25%	0.247	25%	0.249	C	C	.	.			trans	-68.8	136.3	176.8	30.3	-34.2	0	0	0	109.7	R556 L557 W558	R556-P565 HydrophobicContact CB-CB 4.02Å; R556-P565 HydrophobicContact CG-CB 4.25Å; L557-P565 CarbonylContact O-C 3.57Å; L557-P565 WeakPolarHBondContact O-CA 3.32Å; W558-P565 HydrophobicContact CD2-CB 4.1Å; W558-P565 HydrophobicContact CE3-CB 4.06Å; W558-P565 HydrophobicContact CH2-CB 3.99Å; W558-P565 HydrophobicContact CH2-CG 4.1Å; W558-P565 HydrophobicContact CZ2-CB 4.02Å; W558-P565 HydrophobicContact CZ2-CG 4.45Å; W558-P565 HydrophobicContact CZ3-CB 4.01Å; W558-P565 VanDerWaalsContact CZ3-CD 3.47Å; W558-P565 HydrophobicContact CZ3-CG 4.28Å
566	L	95.7	Very high	95.3	Very high	68 Å²	68	47 Å²	47	36%	0.356	25%	0.248	S	C	.	.	S	Bend	trans	-73.7	-37.6	175.9	-61.9	-178.7	0	0	0	111.6	Y545 L557 A559 H562	Y545-L566 HydrophobicContact CD1-CD1 3.89Å; Y545-L566 HydrophobicContact CE1-CD1 3.59Å; L557-L566 HydrophobicContact CD2-CB 4.44Å; L557-L566 PolarHBondContact O-N 3.16Å; A559-L566 HydrophobicContact CB-CD1 3.72Å; A559-L566 HydrophobicContact CB-CG 4.38Å; H562-L566 HydrophobicContact CB-CD2 4.49Å
567	R	96.1	Very high	95.2	Very high	108 Å²	108	46.7 Å²	46.7	41%	0.408	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.1	179.8	-62	-67.9	-171.4	-149.6	6.3	111.2	R556 L557 F569 L603	R556-R567 WeakPolarHBondContact CA-O 3.47Å; L557-R567 HydrophobicContact CB-CB 3.87Å; L557-R567 HydrophobicContact CD2-CB 4.22Å; L557-R567 HydrophobicContact CD2-CG 3.99Å; L557-R567 PolarHBondContact N-O 3.18Å; L557-R567 PolarHBondContact O-N 2.84Å; R567-F569 HydrophobicContact CB-CE1 4.31Å; R567-F569 HydrophobicContact CB-CZ 4.24Å; R567-L603 PolarHBondContact NE-O 2.81Å; R567-L603 PolarHBondContact NH2-O 3.1Å
568	I	96.9	Very high	95.2	Very high	94 Å²	94	46.9 Å²	46.9	48%	0.482	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.7	176.4	-59.9	-176.7	0	0	0	106.8	V554 A570	V554-I568 HydrophobicContact CG1-CG2 3.39Å; I568-A570 HydrophobicContact CG2-CB 4.44Å
569	F	97.6	Very high	95.2	Very high	1 Å²	1	47 Å²	47	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	92.3	176.4	-54.3	-60.2	0	0	0	108.2	A555 L557 R567 V588 W600	A555-F569 HydrophobicContact CB-CB 4.15Å; A555-F569 HydrophobicContact CB-CD2 3.93Å; A555-F569 PolarHBondContact N-O 3.14Å; A555-F569 WeakPolarHBondContact O-CB 3.36Å; A555-F569 PolarHBondContact O-N 2.48Å; L557-F569 HydrophobicContact CB-CE2 4.01Å; L557-F569 HydrophobicContact CB-CZ 4.21Å; R567-F569 HydrophobicContact CB-CE1 4.31Å; R567-F569 HydrophobicContact CB-CZ 4.24Å; F569-V588 HydrophobicContact CE2-CB 4.39Å; F569-V588 HydrophobicContact CE2-CG1 4.48Å; F569-V588 HydrophobicContact CE2-CG2 4.34Å; F569-V588 HydrophobicContact CZ-CG2 4.47Å; F569-W600 HydrophobicContact CB-CD2 3.71Å; F569-W600 HydrophobicContact CB-CE3 3.97Å; F569-W600 HydrophobicContact CB-CG 4.03Å; F569-W600 HydrophobicContact CB-CZ2 4.28Å; F569-W600 HydrophobicContact CB-CZ3 4.34Å; F569-W600 HydrophobicContact CD1-CB 3.57Å; F569-W600 AromaticContact CD1-CD2 3.92Å; F569-W600 HydrophobicContact CD1-CD2 3.92Å; F569-W600 AromaticContact CD1-CE3 3.93Å; F569-W600 HydrophobicContact CD1-CE3 3.93Å; F569-W600 AromaticContact CD1-CG 3.76Å; F569-W600 HydrophobicContact CD1-CG 3.76Å; F569-W600 HydrophobicContact CE1-CB 3.69Å; F569-W600 HydrophobicContact CE1-CG 4.37Å; F569-W600 HydrophobicContact CG-CB 4.1Å; F569-W600 HydrophobicContact CG-CD2 4.04Å; F569-W600 HydrophobicContact CG-CE3 4.34Å; F569-W600 AromaticContact CG-CG 3.9Å; F569-W600 HydrophobicContact CG-CG 3.9Å; F569-W600 HydrophobicContact CZ-CB 4.32Å
570	A	95	Very high	95.3	Very high	64 Å²	64	49.1 Å²	49.1	53%	0.529	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134	-179.7	0	0	0	0	0	110.5	V554 I568 W600	V554-A570 HydrophobicContact CG2-CB 4.05Å; I568-A570 HydrophobicContact CG2-CB 4.44Å; A570-W600 WeakPolarHBondContact O-CH2 3.49Å
571	G	91.6	Very high	95.4	Very high	31 Å²	31	47.8 Å²	47.8	32%	0.32	25%	0.251	S	S	.	.			trans	160.4	-15.7	173.7	0	0	0	0	0	115.3	R598	G571-R598 VanDerWaalsContact C-CZ 3.46Å; G571-R598 VanDerWaalsContact C-NH1 3.28Å; G571-R598 PolarHBondContact O-NH1 2.84Å; G571-R598 PolarHBondContact O-NH2 3.35Å
572	H	94.9	Very high	95.6	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.046	23%	0.227	C	C	.	.			trans	-65.6	150.6	169.9	-78.7	-69	0	0	0	111.3	V576 T590 S592 D594 T596 R598	H572-V576 HydrophobicContact CB-CG2 4.43Å; H572-T590 PolarHBondContact NE2-OG1 3Å; H572-S592 VanDerWaalsContact CE1-CB 3.5Å; H572-S592 WeakPolarHBondContact CE1-CB 3.32Å; H572-S592 WeakPolarHBondContact ND1-CB 3.34Å; H572-D594 WeakPolarHBondContact CA-OD2 3.27Å; H572-D594 WeakPolarHBondContact CB-OD2 3.43Å; H572-D594 IonicContact CE1-OD1 3.35Å; H572-D594 IonicContact CG-OD2 2.94Å; H572-D594 IonicContact ND1-OD1 3.5Å; H572-D594 PolarHBondContact ND1-OD1 3.25Å; H572-D594 IonicContact ND1-OD2 2.94Å; H572-D594 PolarHBondContact ND1-OD2 2.86Å; H572-T596 PolarHBondContact CE1-OG1 3.04Å; H572-T596 VanDerWaalsContact CE1-OG1 3.31Å; H572-T596 PolarHBondContact ND1-OG1 2.97Å; H572-R598 VanDerWaalsContact CE1-CG 3.5Å; H572-R598 WeakPolarHBondContact CE1-CG 3.19Å
573	L	92.1	Very high	95.6	Very high	21 Å²	21	40.7 Å²	40.7	11%	0.11	22%	0.218	C	C	.	.	S	Bend	trans	-90.7	-10.5	-179.7	-58.8	-175.2	0	0	0	113.1	T242 D245 L305 A306 R553 D594	T242-L573 PolarHBondContact OG1-O 2.94Å; D245-L573 HydrophobicContact CB-CD2 4.03Å; L305-L573 HydrophobicContact CD2-CB 3.99Å; L305-L573 HydrophobicContact CD2-CD1 3.89Å; L305-L573 HydrophobicContact CG-CD1 4.18Å; A306-L573 HydrophobicContact CB-CD1 3.8Å; R553-L573 PolarHBondContact NH1-O 3.4Å; R553-L573 VanDerWaalsContact NH1-O 3.15Å; L573-D594 HydrophobicContact CB-CB 3.98Å; L573-D594 PolarHBondContact N-OD2 3.27Å
574	A	93.8	Very high	95.7	Very high	9 Å²	9	34.3 Å²	34.3	7%	0.074	19%	0.189	C	C	.	.	S	Bend	trans	-147.1	-177.3	179.3	0	0	0	0	0	109.9	R553 S592 D594	R553-A574 WeakPolarHBondContact CA-O 3.27Å; R553-A574 WeakPolarHBondContact CB-O 3.28Å; A574-S592 PolarHBondContact O-OG 2.89Å; A574-S592 VanDerWaalsContact O-OG 3.07Å; A574-D594 HydrophobicContact CB-CB 4.11Å
575	D	95.6	Very high	95.7	Very high	26 Å²	26	28.2 Å²	28.2	14%	0.139	16%	0.161	C	C	.	.			trans	-45.6	142.7	-178.9	-61.6	25.9	0	0	0	113.6	W535 H551 S592 S593	W535-D575 PolarHBondContact NE1-OD2 3.27Å; H551-D575 IonicContact CE1-OD1 2.69Å; H551-D575 IonicContact CE1-OD2 2.98Å; H551-D575 IonicContact CG-OD1 3.67Å; H551-D575 IonicContact CG-OD2 2.73Å; H551-D575 IonicContact ND1-OD1 2.74Å; H551-D575 PolarHBondContact ND1-OD1 3.02Å; H551-D575 IonicContact ND1-OD2 3.1Å; H551-D575 PolarHBondContact ND1-OD2 3.4Å; D575-S592 CarbonylContact O-C 3.51Å; D575-S592 WeakPolarHBondContact O-CA 2.86Å; D575-S592 WeakPolarHBondContact O-CB 3.29Å; D575-S592 PolarHBondContact O-OG 3.36Å; D575-S593 PolarHBondContact O-N 2.83Å
576	V	98	Very high	95.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	105.4	169.3	-179.9	0	0	0	0	108.2	G549 G550 A555 H572 T579 T590	G549-V576 CarbonylContact C-O 3.45Å; G550-V576 PolarHBondContact N-O 3.38Å; G550-V576 PolarHBondContact O-N 3.04Å; A555-V576 HydrophobicContact CB-CG1 4.39Å; H572-V576 HydrophobicContact CB-CG2 4.43Å; V576-T579 HydrophobicContact CG1-CG2 3.69Å; V576-T590 HydrophobicContact CG1-CG2 4.19Å
577	T	97.4	Very high	95.8	Very high	24 Å²	24	23.4 Å²	23.4	15%	0.147	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-31.2	-171.7	45.6	0	0	0	0	113.1	G591 S593 I618	T577-G591 PolarHBondContact N-O 2.87Å; T577-G591 PolarHBondContact OG1-O 2.76Å; T577-G591 VanDerWaalsContact OG1-O 3.1Å; T577-S593 WeakPolarHBondContact CG2-OG 3.47Å; T577-I618 VanDerWaalsContact CB-O 3.31Å; T577-I618 WeakPolarHBondContact CB-O 3.48Å; T577-I618 PolarHBondContact OG1-O 3.05Å
578	C	97	Very high	95.9	Very high	9 Å²	9	18.2 Å²	18.2	6%	0.061	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	148.4	179.6	59.6	0	0	0	0	111.5	T590 G591	C578-T590 WeakPolarHBondContact O-CA 3.43Å; C578-G591 PolarHBondContact N-O 3.48Å; C578-G591 PolarHBondContact O-N 3.4Å
579	T	98	Very high	95.9	Very high	4 Å²	4	13.8 Å²	13.8	3%	0.025	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	138.3	-173.9	68	0	0	0	0	109.5	D536 I547 A555 V576 A589 T590	D536-T579 WeakPolarHBondContact OD2-CA 3.36Å; D536-T579 PolarHBondContact OD2-N 3.31Å; D536-T579 VanDerWaalsContact OD2-O 3.07Å; D536-T579 PolarHBondContact OD2-OG1 2.88Å; I547-T579 VanDerWaalsContact CD1-CB 3.49Å; A555-T579 HydrophobicContact CB-CG2 4.47Å; V576-T579 HydrophobicContact CG1-CG2 3.69Å; T579-A589 CarbonylContact C-O 3.57Å; T579-A589 WeakPolarHBondContact CA-O 3.46Å; T579-T590 HydrophobicContact CG2-CG2 4.26Å
580	R	98	Very high	96	Very high	43 Å²	43	13.7 Å²	13.7	16%	0.162	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	135.2	176.9	-162.7	169.3	-77	-157.5	3.9	112	V588 A589 L621 F623 L663	R580-V588 CarbonylContact O-C 3.56Å; R580-V588 WeakPolarHBondContact O-CA 3.48Å; R580-A589 PolarHBondContact N-O 2.77Å; R580-A589 PolarHBondContact O-N 3.36Å; R580-L621 HydrophobicContact CB-CB 4.39Å; R580-L621 PolarHBondContact NE-O 2.9Å; R580-L621 PolarHBondContact NH1-O 3.14Å; R580-L621 VanDerWaalsContact NH1-O 3.09Å; R580-L621 PolarHBondContact NH2-O 3.27Å; R580-F623 HydrophobicContact CB-CD2 4.28Å; R580-F623 HydrophobicContact CB-CE2 4.15Å; R580-F623 HydrophobicContact CG-CD2 3.9Å; R580-F623 HydrophobicContact CG-CE2 4.25Å; R580-L663 PolarHBondContact NH1-O 3.29Å; R580-L663 PolarHBondContact NH2-O 3.49Å
581	F	97.6	Very high	96.1	Very high	7 Å²	7	10.7 Å²	10.7	3%	0.031	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	139.2	167	-85.2	-81.3	0	0	0	111	Q538 P541 I547 L557 V588 V602 F623	Q538-F581 WeakPolarHBondContact O-CE2 3.33Å; P541-F581 HydrophobicContact CG-CB 4.28Å; I547-F581 HydrophobicContact CB-CE2 3.99Å; I547-F581 HydrophobicContact CB-CZ 4.39Å; I547-F581 HydrophobicContact CD1-CD2 3.8Å; I547-F581 HydrophobicContact CD1-CE2 3.94Å; I547-F581 HydrophobicContact CD1-CG 4.44Å; I547-F581 HydrophobicContact CG1-CD2 3.93Å; I547-F581 HydrophobicContact CG1-CE2 3.65Å; I547-F581 HydrophobicContact CG1-CZ 4.47Å; I547-F581 HydrophobicContact CG2-CD2 4.35Å; I547-F581 HydrophobicContact CG2-CE1 4.19Å; I547-F581 HydrophobicContact CG2-CE2 3.5Å; I547-F581 VanDerWaalsContact CG2-CE2 3.5Å; I547-F581 HydrophobicContact CG2-CZ 3.42Å; I547-F581 VanDerWaalsContact CG2-CZ 3.42Å; L557-F581 HydrophobicContact CD1-CE1 4.08Å; L557-F581 HydrophobicContact CD1-CZ 3.64Å; F581-V588 HydrophobicContact CD1-CG2 3.71Å; F581-V588 HydrophobicContact CE1-CG2 3.62Å; F581-V588 HydrophobicContact CG-CG2 4.39Å; F581-V588 HydrophobicContact CZ-CG2 4.24Å; F581-V602 HydrophobicContact CE1-CG2 4.42Å; F581-F623 WeakPolarHBondContact O-CD2 3.15Å; F581-F623 WeakPolarHBondContact O-CE2 3.31Å
582	H	97.3	Very high	96.4	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	5%	0.05	C	C	.	.			trans	-64.9	146.6	163	-176.5	-89.3	0	0	0	109.6	Y320 N584 A585 Y587 F623 G627	Y320-H582 PolarHBondContact O-CE1 2.86Å; Y320-H582 PolarHBondContact O-NE2 3.2Å; H582-N584 VanDerWaalsContact CE1-CG 3.47Å; H582-N584 PolarHBondContact CE1-ND2 2.84Å; H582-N584 VanDerWaalsContact CE1-ND2 3.32Å; H582-N584 PolarHBondContact ND1-N 3.49Å; H582-N584 PolarHBondContact ND1-ND2 2.86Å; H582-N584 PolarHBondContact ND1-OD1 3.25Å; H582-N584 PolarHBondContact O-N 2.73Å; H582-A585 WeakPolarHBondContact O-CA 3.25Å; H582-A585 PolarHBondContact O-N 2.89Å; H582-Y587 WeakPolarHBondContact CB-O 3.34Å; H582-Y587 PolarHBondContact N-O 3.25Å; H582-F623 HydrophobicContact CB-CD2 4.48Å; H582-F623 HydrophobicContact CB-CE1 4.2Å; H582-F623 HydrophobicContact CB-CE2 4.13Å; H582-F623 HydrophobicContact CB-CZ 3.95Å; H582-F623 AromaticContact CD2-CD1 3.57Å; H582-F623 AromaticContact CD2-CE1 3.58Å; H582-G627 WeakPolarHBondContact NE2-CA 3.46Å; H582-G627 PolarHBondContact NE2-O 3.12Å
583	P	94.3	Very high	96.4	Very high	35 Å²	35	10.7 Å²	10.7	23%	0.227	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-27	-176.9	-30.8	36.6	0	0	0	115.6	L322 A585 F623	L322-P583 HydrophobicContact CD2-CB 3.65Å; L322-P583 HydrophobicContact CD2-CG 4.42Å; P583-A585 VanDerWaalsContact C-N 3.33Å; P583-F623 HydrophobicContact CG-CB 4.15Å
584	N	92.9	Very high	96.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	4.1	175.7	73.4	11.2	0	0	0	114.9	Y319 G321 L323 P368 H582 N586	Y319-N584 PolarHBondContact O-ND2 3.04Å; G321-N584 PolarHBondContact O-ND2 3.25Å; L323-N584 HydrophobicContact CD1-CB 4.46Å; L323-N584 HydrophobicContact CG-CB 4.14Å; P368-N584 HydrophobicContact CG-CB 4.46Å; H582-N584 VanDerWaalsContact CE1-CG 3.47Å; H582-N584 PolarHBondContact CE1-ND2 2.84Å; H582-N584 VanDerWaalsContact CE1-ND2 3.32Å; H582-N584 PolarHBondContact ND1-N 3.49Å; H582-N584 PolarHBondContact ND1-ND2 2.86Å; H582-N584 PolarHBondContact ND1-OD1 3.25Å; H582-N584 PolarHBondContact O-N 2.73Å; N584-N586 PolarHBondContact O-N 3.34Å; N584-N586 PolarHBondContact O-ND2 3.22Å; N584-N586 WeakPolarHBondContact OD1-CB 3.24Å; N584-N586 PolarHBondContact OD1-N 3.11Å
585	A	94.8	Very high	96.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	57.8	2.3	-177.9	0	0	0	0	0	117.3	I373 L375 S540 Y542 H582 P583	I373-A585 HydrophobicContact CD1-CB 4.31Å; I373-A585 WeakPolarHBondContact CD1-O 3.38Å; L375-A585 HydrophobicContact CD2-CB 4.33Å; S540-A585 WeakPolarHBondContact OG-CB 3.5Å; Y542-A585 HydrophobicContact CD2-CB 3.75Å; Y542-A585 HydrophobicContact CE2-CB 4.13Å; H582-A585 WeakPolarHBondContact O-CA 3.25Å; H582-A585 PolarHBondContact O-N 2.89Å; P583-A585 VanDerWaalsContact C-N 3.33Å
586	N	95.3	Very high	96.7	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	5%	0.048	C	C	.	.	S	Bend	trans	-85.7	-15.5	-177.5	-83.9	-89.4	0	0	0	113.7	P368 R372 N584 V602	P368-N586 HydrophobicContact CG-CB 4.39Å; P368-N586 WeakPolarHBondContact CG-ND2 3.18Å; R372-N586 WeakPolarHBondContact CD-OD1 3.45Å; R372-N586 PolarHBondContact NH1-OD1 3.08Å; N584-N586 PolarHBondContact O-N 3.34Å; N584-N586 PolarHBondContact O-ND2 3.22Å; N584-N586 WeakPolarHBondContact OD1-CB 3.24Å; N584-N586 PolarHBondContact OD1-N 3.11Å; N586-V602 VanDerWaalsContact O-CB 3.31Å; N586-V602 WeakPolarHBondContact O-CB 3.48Å; N586-V602 WeakPolarHBondContact O-CG2 3.24Å; N586-V602 PolarHBondContact O-N 3.22Å
587	Y	97.2	Very high	96.7	Very high	3 Å²	3	8.5 Å²	8.5	1%	0.012	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.1	179.8	-59.6	-86.3	0	0	0	110.9	V318 Y319 H582 L599 W600 D601 V608	V318-Y587 HydrophobicContact CG1-CD1 4.33Å; V318-Y587 HydrophobicContact CG1-CD2 4.35Å; V318-Y587 HydrophobicContact CG1-CE1 3.95Å; V318-Y587 HydrophobicContact CG1-CE2 4Å; V318-Y587 HydrophobicContact CG2-CE1 4.48Å; Y319-Y587 WeakPolarHBondContact CD2-OH 3.23Å; Y319-Y587 PolarHBondContact N-OH 2.79Å; Y319-Y587 VanDerWaalsContact O-CE2 3.24Å; Y319-Y587 WeakPolarHBondContact O-CE2 3.11Å; H582-Y587 WeakPolarHBondContact CB-O 3.34Å; H582-Y587 PolarHBondContact N-O 3.25Å; Y587-L599 HydrophobicContact CD1-CD2 4.35Å; Y587-L599 HydrophobicContact CD1-CG 4.36Å; Y587-W600 WeakPolarHBondContact CA-O 3.35Å; Y587-D601 HydrophobicContact CD1-CB 4.36Å; Y587-D601 HydrophobicContact CE1-CB 4.15Å; Y587-V608 HydrophobicContact CD1-CG2 3.98Å; Y587-V608 HydrophobicContact CE1-CG2 4.06Å
588	V	98.1	Very high	96.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.1	176.7	173.2	0	0	0	0	108.3	I547 F569 R580 F581 T590 L599 W600 V602	I547-V588 HydrophobicContact CD1-CG1 3.52Å; I547-V588 HydrophobicContact CD1-CG2 4.38Å; I547-V588 HydrophobicContact CG2-CG1 4.15Å; I547-V588 HydrophobicContact CG2-CG2 3.83Å; F569-V588 HydrophobicContact CE2-CB 4.39Å; F569-V588 HydrophobicContact CE2-CG1 4.48Å; F569-V588 HydrophobicContact CE2-CG2 4.34Å; F569-V588 HydrophobicContact CZ-CG2 4.47Å; R580-V588 CarbonylContact O-C 3.56Å; R580-V588 WeakPolarHBondContact O-CA 3.48Å; F581-V588 HydrophobicContact CD1-CG2 3.71Å; F581-V588 HydrophobicContact CE1-CG2 3.62Å; F581-V588 HydrophobicContact CG-CG2 4.39Å; F581-V588 HydrophobicContact CZ-CG2 4.24Å; V588-T590 HydrophobicContact CG1-CG2 4.16Å; V588-L599 CarbonylContact O-C 3.57Å; V588-L599 WeakPolarHBondContact O-CA 3.35Å; V588-W600 PolarHBondContact N-O 3Å; V588-W600 PolarHBondContact O-N 3.16Å; V588-V602 HydrophobicContact CG2-CG2 3.74Å
589	A	98.3	Very high	96.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.2	167.9	0	0	0	0	0	110.1	T579 R580 R598 L599 L621 F623 L630	T579-A589 CarbonylContact C-O 3.57Å; T579-A589 WeakPolarHBondContact CA-O 3.46Å; R580-A589 PolarHBondContact N-O 2.77Å; R580-A589 PolarHBondContact O-N 3.36Å; A589-R598 CarbonylContact C-O 3.58Å; A589-R598 VanDerWaalsContact CA-O 3.28Å; A589-R598 WeakPolarHBondContact CA-O 3.26Å; A589-L599 HydrophobicContact CB-CD1 4.07Å; A589-L621 HydrophobicContact CB-CD1 4.03Å; A589-F623 HydrophobicContact CB-CE2 3.77Å; A589-F623 HydrophobicContact CB-CZ 3.52Å; A589-L630 HydrophobicContact CB-CD1 4.39Å; A589-L630 HydrophobicContact CB-CD2 4.24Å
590	T	98.5	Very high	96.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.5	174.6	57	0	0	0	0	109.2	A555 H572 V576 C578 T579 V588 I597 R598 W600	A555-T590 HydrophobicContact CB-CG2 3.6Å; H572-T590 PolarHBondContact NE2-OG1 3Å; V576-T590 HydrophobicContact CG1-CG2 4.19Å; C578-T590 WeakPolarHBondContact O-CA 3.43Å; T579-T590 HydrophobicContact CG2-CG2 4.26Å; V588-T590 HydrophobicContact CG1-CG2 4.16Å; T590-I597 CarbonylContact O-C 3.39Å; T590-I597 VanDerWaalsContact O-CA 3.26Å; T590-I597 WeakPolarHBondContact O-CA 3.49Å; T590-I597 WeakPolarHBondContact O-CG2 3.46Å; T590-R598 PolarHBondContact N-O 3.02Å; T590-R598 PolarHBondContact O-N 2.95Å; T590-R598 PolarHBondContact OG1-O 3.24Å; T590-W600 PolarHBondContact OG1-NE1 2.98Å
591	G	98	Very high	96.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	141.6	170.6	0	0	0	0	0	108.9	T577 C578	T577-G591 PolarHBondContact N-O 2.87Å; T577-G591 PolarHBondContact OG1-O 2.76Å; T577-G591 VanDerWaalsContact OG1-O 3.1Å; C578-G591 PolarHBondContact N-O 3.48Å; C578-G591 PolarHBondContact O-N 3.4Å
592	S	97.5	Very high	96.5	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	159.6	-174.3	172.4	0	0	0	0	112.1	H572 A574 D575 D594 R595 T596 I618	H572-S592 VanDerWaalsContact CE1-CB 3.5Å; H572-S592 WeakPolarHBondContact CE1-CB 3.32Å; H572-S592 WeakPolarHBondContact ND1-CB 3.34Å; A574-S592 PolarHBondContact O-OG 2.89Å; A574-S592 VanDerWaalsContact O-OG 3.07Å; D575-S592 CarbonylContact O-C 3.51Å; D575-S592 WeakPolarHBondContact O-CA 2.86Å; D575-S592 WeakPolarHBondContact O-CB 3.29Å; D575-S592 PolarHBondContact O-OG 3.36Å; S592-D594 VanDerWaalsContact CB-OD1 3.27Å; S592-D594 WeakPolarHBondContact CB-OD1 3.23Å; S592-D594 PolarHBondContact O-N 2.9Å; S592-D594 VanDerWaalsContact OG-CG 3.29Å; S592-D594 PolarHBondContact OG-N 3Å; S592-D594 VanDerWaalsContact OG-N 3.11Å; S592-D594 PolarHBondContact OG-OD1 3.48Å; S592-R595 PolarHBondContact O-N 3Å; S592-R595 VanDerWaalsContact O-N 3.16Å; S592-T596 PolarHBondContact N-O 3.02Å; S592-I618 PolarHBondContact O-N 2.85Å
593	S	95.8	Very high	96.3	Very high	41 Å²	41	10.6 Å²	10.6	29%	0.287	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.8	167.6	-58.3	0	0	0	0	113.2	D575 T577 R595	D575-S593 PolarHBondContact O-N 2.83Å; T577-S593 WeakPolarHBondContact CG2-OG 3.47Å; S593-R595 PolarHBondContact O-N 2.99Å
594	D	93.9	Very high	96.3	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.011	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	4.1	170.9	73.4	10.8	0	0	0	113.9	S304 L305 H572 L573 A574 S592 T596	S304-D594 PolarHBondContact OG-O 3.31Å; L305-D594 PolarHBondContact N-O 3.38Å; H572-D594 WeakPolarHBondContact CA-OD2 3.27Å; H572-D594 WeakPolarHBondContact CB-OD2 3.43Å; H572-D594 IonicContact CE1-OD1 3.35Å; H572-D594 IonicContact CG-OD2 2.94Å; H572-D594 IonicContact ND1-OD1 3.5Å; H572-D594 PolarHBondContact ND1-OD1 3.25Å; H572-D594 IonicContact ND1-OD2 2.94Å; H572-D594 PolarHBondContact ND1-OD2 2.86Å; L573-D594 HydrophobicContact CB-CB 3.98Å; L573-D594 PolarHBondContact N-OD2 3.27Å; A574-D594 HydrophobicContact CB-CB 4.11Å; S592-D594 VanDerWaalsContact CB-OD1 3.27Å; S592-D594 WeakPolarHBondContact CB-OD1 3.23Å; S592-D594 PolarHBondContact O-N 2.9Å; S592-D594 VanDerWaalsContact OG-CG 3.29Å; S592-D594 PolarHBondContact OG-N 3Å; S592-D594 VanDerWaalsContact OG-N 3.11Å; S592-D594 PolarHBondContact OG-OD1 3.48Å; D594-T596 VanDerWaalsContact CG-OG1 3.28Å; D594-T596 PolarHBondContact O-N 3.05Å; D594-T596 WeakPolarHBondContact OD1-CA 3.36Å; D594-T596 VanDerWaalsContact OD1-CB 3.29Å; D594-T596 WeakPolarHBondContact OD1-CB 3.23Å; D594-T596 PolarHBondContact OD1-N 3.36Å; D594-T596 PolarHBondContact OD1-OG1 3.33Å; D594-T596 PolarHBondContact OD2-OG1 3.46Å
595	R	95.8	Very high	96.3	Very high	7 Å²	7	12.9 Å²	12.9	3%	0.026	7%	0.074	C	C	.	.	S	Bend	trans	65	17.4	179.8	-41.8	176.3	175.5	138	8.3	113.4	E223 D224 G303 S592 S593 K615 G616	E223-R595 IonicContact OE2-NH2 3.71Å; D224-R595 IonicContact OD1-CZ 2.76Å; D224-R595 IonicContact OD1-NH1 2.81Å; D224-R595 PolarHBondContact OD1-NH1 3.16Å; D224-R595 IonicContact OD1-NH2 3.92Å; D224-R595 PolarHBondContact OD1-NH2 2.78Å; D224-R595 IonicContact OD2-CZ 2.66Å; D224-R595 IonicContact OD2-NH1 3.67Å; D224-R595 PolarHBondContact OD2-NH1 3.04Å; D224-R595 IonicContact OD2-NH2 3.7Å; D224-R595 PolarHBondContact OD2-NH2 3.04Å; G303-R595 WeakPolarHBondContact O-CD 3.5Å; G303-R595 PolarHBondContact O-NH1 3.18Å; S592-R595 PolarHBondContact O-N 3Å; S592-R595 VanDerWaalsContact O-N 3.16Å; S593-R595 PolarHBondContact O-N 2.99Å; R595-K615 PolarHBondContact NE-O 3.07Å; R595-G616 WeakPolarHBondContact CG-O 3.35Å
596	T	96.4	Very high	96.3	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.012	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	152.2	173	73.7	0	0	0	0	112	S304 H572 S592 D594 F611 T612 I618	S304-T596 WeakPolarHBondContact OG-CG2 3.31Å; H572-T596 PolarHBondContact CE1-OG1 3.04Å; H572-T596 VanDerWaalsContact CE1-OG1 3.31Å; H572-T596 PolarHBondContact ND1-OG1 2.97Å; S592-T596 PolarHBondContact N-O 3.02Å; D594-T596 VanDerWaalsContact CG-OG1 3.28Å; D594-T596 PolarHBondContact O-N 3.05Å; D594-T596 WeakPolarHBondContact OD1-CA 3.36Å; D594-T596 VanDerWaalsContact OD1-CB 3.29Å; D594-T596 WeakPolarHBondContact OD1-CB 3.23Å; D594-T596 PolarHBondContact OD1-N 3.36Å; D594-T596 PolarHBondContact OD1-OG1 3.33Å; D594-T596 PolarHBondContact OD2-OG1 3.46Å; T596-F611 WeakPolarHBondContact CA-O 3.48Å; T596-T612 HydrophobicContact CG2-CG2 4.11Å; T596-I618 VanDerWaalsContact C-CD1 3.48Å; T596-I618 VanDerWaalsContact O-CD1 3.3Å; T596-I618 WeakPolarHBondContact O-CD1 3.26Å
597	I	97.9	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.8	167	-48.9	162.3	0	0	0	107.2	T590 I610 F611 I618 L621 L630 S632	T590-I597 CarbonylContact O-C 3.39Å; T590-I597 VanDerWaalsContact O-CA 3.26Å; T590-I597 WeakPolarHBondContact O-CA 3.49Å; T590-I597 WeakPolarHBondContact O-CG2 3.46Å; I597-I610 CarbonylContact O-C 3.44Å; I597-I610 WeakPolarHBondContact O-CA 3.12Å; I597-F611 HydrophobicContact CB-CB 4.09Å; I597-F611 HydrophobicContact CB-CD2 3.98Å; I597-F611 HydrophobicContact CD1-CB 4.44Å; I597-F611 HydrophobicContact CG2-CD2 4.01Å; I597-F611 PolarHBondContact N-O 3.12Å; I597-F611 PolarHBondContact O-N 3.42Å; I597-I618 HydrophobicContact CB-CD1 4.35Å; I597-I618 HydrophobicContact CD1-CD1 4.03Å; I597-I618 HydrophobicContact CG1-CD1 3.17Å; I597-L621 HydrophobicContact CD1-CD2 3.82Å; I597-L621 HydrophobicContact CG1-CD2 4.02Å; I597-L621 HydrophobicContact CG2-CD1 4.28Å; I597-L621 HydrophobicContact CG2-CD2 3.8Å; I597-L630 HydrophobicContact CG2-CD2 3.95Å; I597-S632 VanDerWaalsContact CD1-OG 3.32Å; I597-S632 WeakPolarHBondContact CD1-OG 3.48Å
598	R	97.8	Very high	96.3	Very high	32 Å²	32	20.1 Å²	20.1	12%	0.121	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.9	175.5	-66.2	-177.9	-177.8	-146.6	8.4	110.5	G571 H572 A589 T590 W600 R609 I610	G571-R598 VanDerWaalsContact C-CZ 3.46Å; G571-R598 VanDerWaalsContact C-NH1 3.28Å; G571-R598 PolarHBondContact O-NH1 2.84Å; G571-R598 PolarHBondContact O-NH2 3.35Å; H572-R598 VanDerWaalsContact CE1-CG 3.5Å; H572-R598 WeakPolarHBondContact CE1-CG 3.19Å; A589-R598 CarbonylContact C-O 3.58Å; A589-R598 VanDerWaalsContact CA-O 3.28Å; A589-R598 WeakPolarHBondContact CA-O 3.26Å; T590-R598 PolarHBondContact N-O 3.02Å; T590-R598 PolarHBondContact O-N 2.95Å; T590-R598 PolarHBondContact OG1-O 3.24Å; R598-W600 HydrophobicContact CB-CZ2 3.84Å; R598-W600 HydrophobicContact CG-CZ2 4.34Å; R598-R609 WeakPolarHBondContact CA-O 3.34Å; R598-I610 HydrophobicContact CG-CG1 4.3Å
599	L	98.1	Very high	96.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.8	169.7	-167.3	70.6	0	0	0	108.6	V318 Y587 V588 A589 C607 V608 R609 F623 I644	V318-L599 HydrophobicContact CG1-CD2 4.05Å; Y587-L599 HydrophobicContact CD1-CD2 4.35Å; Y587-L599 HydrophobicContact CD1-CG 4.36Å; V588-L599 CarbonylContact O-C 3.57Å; V588-L599 WeakPolarHBondContact O-CA 3.35Å; A589-L599 HydrophobicContact CB-CD1 4.07Å; L599-C607 CarbonylContact O-C 3.59Å; L599-C607 WeakPolarHBondContact O-CA 3.3Å; L599-V608 HydrophobicContact CB-CG2 3.98Å; L599-V608 HydrophobicContact CD2-CG2 3.91Å; L599-V608 HydrophobicContact CG-CG2 3.88Å; L599-V608 VanDerWaalsContact O-CG2 3.31Å; L599-V608 WeakPolarHBondContact O-CG2 3.3Å; L599-V608 PolarHBondContact O-N 3.47Å; L599-R609 HydrophobicContact CB-CB 3.69Å; L599-R609 HydrophobicContact CB-CG 4.07Å; L599-R609 HydrophobicContact CD2-CB 4.48Å; L599-R609 HydrophobicContact CD2-CG 3.93Å; L599-R609 PolarHBondContact N-O 3.34Å; L599-R609 PolarHBondContact O-N 2.96Å; L599-F623 HydrophobicContact CD1-CE1 4.26Å; L599-F623 HydrophobicContact CD1-CZ 3.82Å; L599-I644 HydrophobicContact CD2-CG2 3.66Å
600	W	97.9	Very high	96.1	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.027	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.3	-176.3	-54.5	91.1	0	0	0	110.3	F569 A570 Y587 V588 T590 R598 N606 C607	F569-W600 HydrophobicContact CB-CD2 3.71Å; F569-W600 HydrophobicContact CB-CE3 3.97Å; F569-W600 HydrophobicContact CB-CG 4.03Å; F569-W600 HydrophobicContact CB-CZ2 4.28Å; F569-W600 HydrophobicContact CB-CZ3 4.34Å; F569-W600 HydrophobicContact CD1-CB 3.57Å; F569-W600 AromaticContact CD1-CD2 3.92Å; F569-W600 HydrophobicContact CD1-CD2 3.92Å; F569-W600 AromaticContact CD1-CE3 3.93Å; F569-W600 HydrophobicContact CD1-CE3 3.93Å; F569-W600 AromaticContact CD1-CG 3.76Å; F569-W600 HydrophobicContact CD1-CG 3.76Å; F569-W600 HydrophobicContact CE1-CB 3.69Å; F569-W600 HydrophobicContact CE1-CG 4.37Å; F569-W600 HydrophobicContact CG-CB 4.1Å; F569-W600 HydrophobicContact CG-CD2 4.04Å; F569-W600 HydrophobicContact CG-CE3 4.34Å; F569-W600 AromaticContact CG-CG 3.9Å; F569-W600 HydrophobicContact CG-CG 3.9Å; F569-W600 HydrophobicContact CZ-CB 4.32Å; A570-W600 WeakPolarHBondContact O-CH2 3.49Å; Y587-W600 WeakPolarHBondContact CA-O 3.35Å; V588-W600 PolarHBondContact N-O 3Å; V588-W600 PolarHBondContact O-N 3.16Å; T590-W600 PolarHBondContact OG1-NE1 2.98Å; R598-W600 HydrophobicContact CB-CZ2 3.84Å; R598-W600 HydrophobicContact CG-CZ2 4.34Å; W600-N606 WeakPolarHBondContact CA-O 3.48Å; W600-C607 HydrophobicContact CD2-CB 4.36Å; W600-C607 HydrophobicContact CE3-CB 3.74Å; W600-C607 HydrophobicContact CH2-CB 3.95Å; W600-C607 HydrophobicContact CZ3-CB 3.52Å
601	D	96.3	Very high	95.9	Very high	8 Å²	8	22 Å²	22	4%	0.043	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	123.3	169.2	177.1	25.9	0	0	0	110.5	R372 Y587 L603 T604 G605 N606 V608	R372-D601 IonicContact CZ-OD1 3.87Å; R372-D601 IonicContact NH1-OD1 3.34Å; R372-D601 PolarHBondContact NH1-OD1 2.73Å; R372-D601 IonicContact NH2-OD1 3.98Å; R372-D601 PolarHBondContact NH2-OD1 2.69Å; R372-D601 IonicContact NH2-OD2 2.7Å; R372-D601 PolarHBondContact NH2-OD2 2.86Å; Y587-D601 HydrophobicContact CD1-CB 4.36Å; Y587-D601 HydrophobicContact CE1-CB 4.15Å; D601-L603 VanDerWaalsContact C-N 3.28Å; D601-L603 PolarHBondContact O-N 3.48Å; D601-L603 PolarHBondContact OD1-N 2.81Å; D601-T604 WeakPolarHBondContact CB-OG1 3.5Å; D601-T604 WeakPolarHBondContact OD2-CG2 3.36Å; D601-T604 PolarHBondContact OD2-N 2.91Å; D601-T604 PolarHBondContact OD2-OG1 3.48Å; D601-G605 VanDerWaalsContact O-CA 3.28Å; D601-G605 WeakPolarHBondContact O-CA 3.15Å; D601-G605 PolarHBondContact O-N 2.95Å; D601-N606 PolarHBondContact N-O 3.2Å; D601-V608 HydrophobicContact CB-CG1 3.99Å
602	V	95.7	Very high	95.8	Very high	10 Å²	10	22.1 Å²	22.1	6%	0.061	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-33.9	179.9	168.8	0	0	0	0	111.9	I373 L557 F581 N586 V588	I373-V602 HydrophobicContact CD1-CG1 4.45Å; I373-V602 HydrophobicContact CG2-CG1 4.22Å; L557-V602 HydrophobicContact CD2-CG1 3.7Å; F581-V602 HydrophobicContact CE1-CG2 4.42Å; N586-V602 VanDerWaalsContact O-CB 3.31Å; N586-V602 WeakPolarHBondContact O-CB 3.48Å; N586-V602 WeakPolarHBondContact O-CG2 3.24Å; N586-V602 PolarHBondContact O-N 3.22Å; V588-V602 HydrophobicContact CG2-CG2 3.74Å
603	L	92.9	Very high	95.5	Very high	74 Å²	74	22.1 Å²	22.1	39%	0.387	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-51.9	-177.2	179.3	63.5	0	0	0	111.5	R372 I373 R567 D601	R372-L603 HydrophobicContact CG-CD2 4.12Å; I373-L603 HydrophobicContact CG2-CB 4.3Å; R567-L603 PolarHBondContact NE-O 2.81Å; R567-L603 PolarHBondContact NH2-O 3.1Å; D601-L603 VanDerWaalsContact C-N 3.28Å; D601-L603 PolarHBondContact O-N 3.48Å; D601-L603 PolarHBondContact OD1-N 2.81Å
604	T	92.8	Very high	95.5	Very high	69 Å²	69	20.3 Å²	20.3	42%	0.423	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-25	-172.8	58.4	0	0	0	0	114	D601 N606	D601-T604 WeakPolarHBondContact CB-OG1 3.5Å; D601-T604 WeakPolarHBondContact OD2-CG2 3.36Å; D601-T604 PolarHBondContact OD2-N 2.91Å; D601-T604 PolarHBondContact OD2-OG1 3.48Å; T604-N606 VanDerWaalsContact C-N 3.27Å; T604-N606 PolarHBondContact OG1-N 3.46Å; T604-N606 PolarHBondContact OG1-ND2 3.1Å
605	G	93.9	Very high	95.6	Very high	14 Å²	14	21.1 Å²	21.1	14%	0.144	12%	0.117	C	C	.	.			trans	82.7	-0.5	-170.4	0	0	0	0	0	114.1	D601	D601-G605 VanDerWaalsContact O-CA 3.28Å; D601-G605 WeakPolarHBondContact O-CA 3.15Å; D601-G605 PolarHBondContact O-N 2.95Å
606	N	95.2	Very high	95.5	Very high	101 Å²	101	21 Å²	21	54%	0.54	12%	0.118	S	C	.	.			trans	-78.3	145.4	-175.3	-68.1	-28.7	0	0	0	112.1	W600 D601 T604 V608	W600-N606 WeakPolarHBondContact CA-O 3.48Å; D601-N606 PolarHBondContact N-O 3.2Å; T604-N606 VanDerWaalsContact C-N 3.27Å; T604-N606 PolarHBondContact OG1-N 3.46Å; T604-N606 PolarHBondContact OG1-ND2 3.1Å; N606-V608 PolarHBondContact O-N 3.33Å
607	C	96.1	Very high	95.5	Very high	41 Å²	41	21.9 Å²	21.9	28%	0.277	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	118	168.1	-171.2	0	0	0	0	109.3	L599 W600 R609	L599-C607 CarbonylContact O-C 3.59Å; L599-C607 WeakPolarHBondContact O-CA 3.3Å; W600-C607 HydrophobicContact CD2-CB 4.36Å; W600-C607 HydrophobicContact CE3-CB 3.74Å; W600-C607 HydrophobicContact CH2-CB 3.95Å; W600-C607 HydrophobicContact CZ3-CB 3.52Å; C607-R609 PolarHBondContact SG-O 2.74Å
608	V	95.9	Very high	95.5	Very high	15 Å²	15	21.9 Å²	21.9	9%	0.091	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-19	-177.7	-64.7	0	0	0	0	113.2	A313 A316 V318 Y587 L599 D601 N606	A313-V608 CarbonylContact O-C 3.57Å; A316-V608 HydrophobicContact CB-CB 4.43Å; V318-V608 HydrophobicContact CG2-CB 3.99Å; V318-V608 HydrophobicContact CG2-CG2 3.85Å; Y587-V608 HydrophobicContact CD1-CG2 3.98Å; Y587-V608 HydrophobicContact CE1-CG2 4.06Å; L599-V608 HydrophobicContact CB-CG2 3.98Å; L599-V608 HydrophobicContact CD2-CG2 3.91Å; L599-V608 HydrophobicContact CG-CG2 3.88Å; L599-V608 VanDerWaalsContact O-CG2 3.31Å; L599-V608 WeakPolarHBondContact O-CG2 3.3Å; L599-V608 PolarHBondContact O-N 3.47Å; D601-V608 HydrophobicContact CB-CG1 3.99Å; N606-V608 PolarHBondContact O-N 3.33Å
609	R	95.4	Very high	95.4	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.015	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	145.6	172.2	-59.9	-73.5	179.5	-97	8.1	110.1	N314 A316 V318 R598 L599 C607 F611 I644 G645	N314-R609 PolarHBondContact O-NH1 3.5Å; N314-R609 VanDerWaalsContact O-NH1 3.12Å; N314-R609 WeakPolarHBondContact OD1-CA 3.28Å; A316-R609 PolarHBondContact O-NH1 3.26Å; A316-R609 PolarHBondContact O-NH2 3.15Å; V318-R609 HydrophobicContact CG2-CG 4.41Å; R598-R609 WeakPolarHBondContact CA-O 3.34Å; L599-R609 HydrophobicContact CB-CB 3.69Å; L599-R609 HydrophobicContact CB-CG 4.07Å; L599-R609 HydrophobicContact CD2-CB 4.48Å; L599-R609 HydrophobicContact CD2-CG 3.93Å; L599-R609 PolarHBondContact N-O 3.34Å; L599-R609 PolarHBondContact O-N 2.96Å; C607-R609 PolarHBondContact SG-O 2.74Å; R609-F611 HydrophobicContact CB-CE1 4.16Å; R609-F611 HydrophobicContact CB-CE2 3.87Å; R609-F611 HydrophobicContact CB-CZ 3.67Å; R609-F611 HydrophobicContact CG-CE1 4.45Å; R609-F611 HydrophobicContact CG-CE2 4.48Å; R609-F611 HydrophobicContact CG-CZ 3.91Å; R609-I644 PolarHBondContact NE-O 3.4Å; R609-I644 PolarHBondContact NH2-O 3.25Å; R609-G645 PolarHBondContact NH2-O 2.94Å
610	I	95.8	Very high	95.3	Very high	32 Å²	32	23.5 Å²	23.5	16%	0.164	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123.6	166.7	-53.5	178.5	0	0	0	107	A309 A313 N314 I597 R598 T612	A309-I610 HydrophobicContact CB-CB 3.83Å; A309-I610 HydrophobicContact CB-CG2 3.99Å; A309-I610 WeakPolarHBondContact CB-O 3.34Å; A313-I610 HydrophobicContact CB-CD1 4.13Å; A313-I610 HydrophobicContact CB-CG1 4.35Å; N314-I610 PolarHBondContact ND2-O 2.87Å; N314-I610 PolarHBondContact OD1-N 3.09Å; N314-I610 PolarHBondContact OD1-O 3.14Å; I597-I610 CarbonylContact O-C 3.44Å; I597-I610 WeakPolarHBondContact O-CA 3.12Å; R598-I610 HydrophobicContact CG-CG1 4.3Å; I610-T612 HydrophobicContact CG2-CG2 4.15Å
611	F	95.7	Very high	95.4	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.009	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.8	177.1	-51.3	-69.1	0	0	0	109.4	T596 I597 R609 L630 W642	T596-F611 WeakPolarHBondContact CA-O 3.48Å; I597-F611 HydrophobicContact CB-CB 4.09Å; I597-F611 HydrophobicContact CB-CD2 3.98Å; I597-F611 HydrophobicContact CD1-CB 4.44Å; I597-F611 HydrophobicContact CG2-CD2 4.01Å; I597-F611 PolarHBondContact N-O 3.12Å; I597-F611 PolarHBondContact O-N 3.42Å; R609-F611 HydrophobicContact CB-CE1 4.16Å; R609-F611 HydrophobicContact CB-CE2 3.87Å; R609-F611 HydrophobicContact CB-CZ 3.67Å; R609-F611 HydrophobicContact CG-CE1 4.45Å; R609-F611 HydrophobicContact CG-CE2 4.48Å; R609-F611 HydrophobicContact CG-CZ 3.91Å; F611-L630 HydrophobicContact CD2-CD2 4.18Å; F611-L630 HydrophobicContact CE2-CD2 3.9Å; F611-W642 HydrophobicContact CB-CD2 3.75Å; F611-W642 HydrophobicContact CB-CE3 3.75Å; F611-W642 HydrophobicContact CB-CG 4.47Å; F611-W642 HydrophobicContact CB-CH2 3.91Å; F611-W642 HydrophobicContact CB-CZ2 3.87Å; F611-W642 HydrophobicContact CB-CZ3 3.81Å; F611-W642 HydrophobicContact CD1-CB 4.25Å; F611-W642 AromaticContact CD1-CD2 3.73Å; F611-W642 HydrophobicContact CD1-CD2 3.73Å; F611-W642 AromaticContact CD1-CE3 3.35Å; F611-W642 HydrophobicContact CD1-CE3 3.35Å; F611-W642 HydrophobicContact CD1-CG 4.12Å; F611-W642 AromaticContact CD1-CZ3 3.98Å; F611-W642 HydrophobicContact CD1-CZ3 3.98Å; F611-W642 HydrophobicContact CE1-CB 4.07Å; F611-W642 HydrophobicContact CE1-CD2 4.42Å; F611-W642 HydrophobicContact CE1-CE3 4.13Å; F611-W642 HydrophobicContact CE1-CG 4.42Å; F611-W642 AromaticContact CG-CD2 3.81Å; F611-W642 HydrophobicContact CG-CD2 3.81Å; F611-W642 AromaticContact CG-CE3 3.82Å; F611-W642 HydrophobicContact CG-CE3 3.82Å; F611-W642 HydrophobicContact CG-CG 4.15Å; F611-W642 HydrophobicContact CG-CZ3 4.32Å; F611-W642 HydrophobicContact CZ-CB 4.31Å
612	T	94.7	Very high	95.4	Very high	3 Å²	3	23 Å²	23	2%	0.018	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.7	-176.2	58.4	0	0	0	0	109.6	M301 G307 A309 T596 I610 W642	M301-T612 WeakPolarHBondContact CE-O 3.4Å; M301-T612 CarbonylContact O-C 3.58Å; M301-T612 VanDerWaalsContact O-C 3.26Å; M301-T612 VanDerWaalsContact O-O 3.12Å; M301-T612 PolarHBondContact O-OG1 2.59Å; G307-T612 WeakPolarHBondContact O-CG2 3.46Å; A309-T612 HydrophobicContact CB-CG2 4.19Å; A309-T612 PolarHBondContact N-OG1 2.6Å; T596-T612 HydrophobicContact CG2-CG2 4.11Å; I610-T612 HydrophobicContact CG2-CG2 4.15Å; T612-W642 VanDerWaalsContact O-CH2 3.3Å; T612-W642 WeakPolarHBondContact O-CH2 3.11Å
613	G	92.7	Very high	95.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.01	13%	0.132	C	C	.	.			trans	160.6	-24.3	179.5	0	0	0	0	0	114.2	A300 M301 S302 K615	A300-G613 CarbonylContact O-C 3.56Å; A300-G613 WeakPolarHBondContact O-CA 3.3Å; M301-G613 WeakPolarHBondContact O-CA 3.16Å; M301-G613 PolarHBondContact O-N 3.07Å; S302-G613 CarbonylContact O-C 3.22Å; S302-G613 WeakPolarHBondContact O-CA 3.42Å; G613-K615 PolarHBondContact O-NZ 3.12Å
614	H	95.6	Very high	95.6	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.009	11%	0.114	C	C	.	.			trans	-65	144.8	172.3	-77.6	-62.5	0	0	0	111.6	I618 S632 A634 D636 L640	H614-I618 HydrophobicContact CB-CG1 4.43Å; H614-S632 PolarHBondContact CE1-O 2.85Å; H614-S632 WeakPolarHBondContact NE2-CB 3.04Å; H614-S632 PolarHBondContact NE2-OG 2.9Å; H614-A634 HydrophobicContact CB-CB 3.99Å; H614-A634 VanDerWaalsContact ND1-CB 3.28Å; H614-A634 WeakPolarHBondContact ND1-CB 3.45Å; H614-D636 IonicContact ND1-OD1 3.33Å; H614-D636 IonicContact ND1-OD2 3.66Å; H614-L640 VanDerWaalsContact CE1-CG 3.47Å; H614-L640 WeakPolarHBondContact CE1-CG 3.49Å
615	K	94.3	Very high	95.6	Very high	19 Å²	19	18.7 Å²	18.7	8%	0.083	11%	0.107	C	C	.	.	S	Bend	trans	-103.1	-1.1	-179.4	-58.8	-52.9	-175.1	-83.3	0	113.7	Y220 D299 S302 R595 G613 D636	Y220-K615 HydrophobicContact CD1-CD 4.27Å; Y220-K615 HydrophobicContact CD2-CD 3.67Å; Y220-K615 HydrophobicContact CE2-CD 4.25Å; Y220-K615 HydrophobicContact CG-CD 3.66Å; Y220-K615 HydrophobicContact CG-CG 4.23Å; D299-K615 WeakPolarHBondContact O-CE 3.24Å; D299-K615 PolarHBondContact O-NZ 3.34Å; S302-K615 VanDerWaalsContact O-CE 3.31Å; S302-K615 WeakPolarHBondContact O-CE 3.5Å; S302-K615 PolarHBondContact O-NZ 3.19Å; R595-K615 PolarHBondContact NE-O 3.07Å; G613-K615 PolarHBondContact O-NZ 3.12Å; K615-D636 HydrophobicContact CB-CB 3.93Å; K615-D636 PolarHBondContact N-OD2 3.37Å
616	G	94.4	Very high	95.4	Very high	4 Å²	4	22 Å²	22	4%	0.041	12%	0.122	C	C	.	.	S	Bend	trans	-144.3	174.1	176.1	0	0	0	0	0	111.8	R595	R595-G616 WeakPolarHBondContact CG-O 3.35Å
617	P	96	Very high	95.1	Very high	21 Å²	21	17.2 Å²	17.2	14%	0.136	10%	0.096	C	C	.	.			trans	-51	141.6	173	-28.8	36.4	0	0	0	112.7	H619 A634 T635	P617-H619 PolarHBondContact O-CD2 2.85Å; P617-A634 CarbonylContact O-C 3.54Å; P617-A634 WeakPolarHBondContact O-CA 3.42Å; P617-A634 VanDerWaalsContact O-CB 3.26Å; P617-A634 WeakPolarHBondContact O-CB 3.28Å; P617-T635 WeakPolarHBondContact CD-OG1 3.36Å; P617-T635 PolarHBondContact O-N 2.86Å; P617-T635 PolarHBondContact O-OG1 2.87Å; P617-T635 VanDerWaalsContact O-OG1 3.12Å
618	I	97.7	Very high	94.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.2	-177	-52.7	-173.4	0	0	0	108.4	T577 S592 T596 I597 H614 L621	T577-I618 VanDerWaalsContact CB-O 3.31Å; T577-I618 WeakPolarHBondContact CB-O 3.48Å; T577-I618 PolarHBondContact OG1-O 3.05Å; S592-I618 PolarHBondContact O-N 2.85Å; T596-I618 VanDerWaalsContact C-CD1 3.48Å; T596-I618 VanDerWaalsContact O-CD1 3.3Å; T596-I618 WeakPolarHBondContact O-CD1 3.26Å; I597-I618 HydrophobicContact CB-CD1 4.35Å; I597-I618 HydrophobicContact CD1-CD1 4.03Å; I597-I618 HydrophobicContact CG1-CD1 3.17Å; H614-I618 HydrophobicContact CB-CG1 4.43Å; I618-L621 HydrophobicContact CG2-CD2 4.22Å; I618-L621 HydrophobicContact CG2-CG 4.48Å
619	H	96.8	Very high	94.9	Very high	63 Å²	63	17.6 Å²	17.6	29%	0.292	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-20.6	-178.7	-72.4	-78.2	0	0	0	113	P617 G633 T635 C659 I660 Y661	P617-H619 PolarHBondContact O-CD2 2.85Å; H619-G633 PolarHBondContact N-O 3.24Å; H619-T635 PolarHBondContact CD2-OG1 2.84Å; H619-T635 PolarHBondContact NE2-OG1 2.83Å; H619-C659 PolarHBondContact CD2-SG 2.9Å; H619-I660 WeakPolarHBondContact CB-O 3.45Å; H619-Y661 HydrophobicContact CB-CD1 4.26Å
620	A	96.8	Very high	95	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.033	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	137.6	179.8	0	0	0	0	0	111.5	S632 G633 I660 L663	A620-S632 CarbonylContact O-C 3.57Å; A620-S632 VanDerWaalsContact O-CA 3.31Å; A620-S632 WeakPolarHBondContact O-CA 3.4Å; A620-G633 PolarHBondContact N-O 2.81Å; A620-G633 PolarHBondContact O-N 2.66Å; A620-I660 HydrophobicContact CB-CG2 4.45Å; A620-L663 HydrophobicContact CB-CB 4.16Å; A620-L663 HydrophobicContact CB-CD1 3.85Å; A620-L663 HydrophobicContact CB-CG 3.77Å
621	L	98.1	Very high	95.1	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.021	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	154.6	167.4	-70.5	175.3	0	0	0	108.4	R580 A589 I597 I618 L630 A631	R580-L621 HydrophobicContact CB-CB 4.39Å; R580-L621 PolarHBondContact NE-O 2.9Å; R580-L621 PolarHBondContact NH1-O 3.14Å; R580-L621 VanDerWaalsContact NH1-O 3.09Å; R580-L621 PolarHBondContact NH2-O 3.27Å; A589-L621 HydrophobicContact CB-CD1 4.03Å; I597-L621 HydrophobicContact CD1-CD2 3.82Å; I597-L621 HydrophobicContact CG1-CD2 4.02Å; I597-L621 HydrophobicContact CG2-CD1 4.28Å; I597-L621 HydrophobicContact CG2-CD2 3.8Å; I618-L621 HydrophobicContact CG2-CD2 4.22Å; I618-L621 HydrophobicContact CG2-CG 4.48Å; L621-L630 HydrophobicContact CB-CD1 4.45Å; L621-L630 HydrophobicContact CD2-CD1 4.49Å; L621-L630 HydrophobicContact CD2-CD2 4.47Å; L621-A631 CarbonylContact C-O 3.52Å; L621-A631 WeakPolarHBondContact CA-O 3.42Å
622	A	97.6	Very high	95.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	124	169.2	0	0	0	0	0	112.9	L630 A631 L663 F665	A622-L630 CarbonylContact O-C 3.55Å; A622-L630 WeakPolarHBondContact O-CA 3.37Å; A622-A631 HydrophobicContact CB-CB 4.46Å; A622-A631 PolarHBondContact N-O 3.27Å; A622-A631 PolarHBondContact O-N 3.43Å; A622-L663 HydrophobicContact CB-CB 3.74Å; A622-L663 WeakPolarHBondContact CB-O 3.3Å; A622-F665 HydrophobicContact CB-CD2 4.04Å; A622-F665 HydrophobicContact CB-CE2 4.17Å; A622-F665 WeakPolarHBondContact O-CE2 3.39Å
623	F	97.3	Very high	95.3	Very high	16 Å²	16	15.6 Å²	15.6	7%	0.07	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	142.4	168.6	-71.8	-77.4	0	0	0	110.9	R580 F581 H582 P583 A589 L599 L630 I644 F665	R580-F623 HydrophobicContact CB-CD2 4.28Å; R580-F623 HydrophobicContact CB-CE2 4.15Å; R580-F623 HydrophobicContact CG-CD2 3.9Å; R580-F623 HydrophobicContact CG-CE2 4.25Å; F581-F623 WeakPolarHBondContact O-CD2 3.15Å; F581-F623 WeakPolarHBondContact O-CE2 3.31Å; H582-F623 HydrophobicContact CB-CD2 4.48Å; H582-F623 HydrophobicContact CB-CE1 4.2Å; H582-F623 HydrophobicContact CB-CE2 4.13Å; H582-F623 HydrophobicContact CB-CZ 3.95Å; H582-F623 AromaticContact CD2-CD1 3.57Å; H582-F623 AromaticContact CD2-CE1 3.58Å; P583-F623 HydrophobicContact CG-CB 4.15Å; A589-F623 HydrophobicContact CB-CE2 3.77Å; A589-F623 HydrophobicContact CB-CZ 3.52Å; L599-F623 HydrophobicContact CD1-CE1 4.26Å; L599-F623 HydrophobicContact CD1-CZ 3.82Å; F623-L630 HydrophobicContact CD1-CB 4.32Å; F623-L630 HydrophobicContact CD1-CD1 3.88Å; F623-L630 HydrophobicContact CD2-CD1 4.21Å; F623-L630 HydrophobicContact CE1-CB 4.32Å; F623-L630 HydrophobicContact CE1-CD1 3.83Å; F623-L630 HydrophobicContact CE2-CD1 4.17Å; F623-L630 HydrophobicContact CG-CD1 4.09Å; F623-L630 HydrophobicContact CZ-CD1 4.01Å; F623-I644 HydrophobicContact CD1-CD1 3.56Å; F623-I644 HydrophobicContact CE1-CD1 3.45Å; F623-I644 VanDerWaalsContact CE1-CD1 3.45Å; F623-I644 HydrophobicContact CE1-CG1 4.4Å; F623-F665 VanDerWaalsContact O-CD2 3.31Å; F623-F665 WeakPolarHBondContact O-CD2 3.21Å
624	S	95.2	Very high	95.5	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.014	8%	0.082	C	C	.	.			trans	-66.3	149	166.8	57.8	0	0	0	0	110.2	N626 G627 F629	S624-N626 WeakPolarHBondContact CB-OD1 3.42Å; S624-N626 PolarHBondContact O-N 2.98Å; S624-N626 VanDerWaalsContact O-N 3.17Å; S624-N626 PolarHBondContact OG-OD1 3.47Å; S624-G627 PolarHBondContact O-N 3.25Å; S624-F629 PolarHBondContact N-O 2.78Å; S624-F629 PolarHBondContact OG-N 3.11Å; S624-F629 PolarHBondContact OG-O 2.93Å; S624-F629 VanDerWaalsContact OG-O 3.13Å
625	P	91.9	Very high	95.5	Very high	44 Å²	44	18.2 Å²	18.2	29%	0.286	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.3	179.6	-23.9	33.1	0	0	0	113.8	L322 G627 F665 S666	L322-P625 WeakPolarHBondContact CD1-O 3.41Å; P625-G627 VanDerWaalsContact C-N 3.26Å; P625-G627 PolarHBondContact O-N 3.04Å; P625-F665 HydrophobicContact CG-CB 4.27Å; P625-S666 WeakPolarHBondContact CG-O 3.38Å
626	N	89.6	Confident	95.4	Very high	84 Å²	84	19.2 Å²	19.2	45%	0.449	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-8.2	175.7	68.6	8.5	0	0	0	113.9	S624 K628	S624-N626 WeakPolarHBondContact CB-OD1 3.42Å; S624-N626 PolarHBondContact O-N 2.98Å; S624-N626 VanDerWaalsContact O-N 3.17Å; S624-N626 PolarHBondContact OG-OD1 3.47Å; N626-K628 PolarHBondContact O-N 2.96Å; N626-K628 PolarHBondContact OD1-N 2.81Å
627	G	90.9	Very high	95.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	76.6	-10	-179	0	0	0	0	0	116	H582 S624 P625 I644	H582-G627 WeakPolarHBondContact NE2-CA 3.46Å; H582-G627 PolarHBondContact NE2-O 3.12Å; S624-G627 PolarHBondContact O-N 3.25Å; P625-G627 VanDerWaalsContact C-N 3.26Å; P625-G627 PolarHBondContact O-N 3.04Å; G627-I644 VanDerWaalsContact O-CD1 3.27Å; G627-I644 WeakPolarHBondContact O-CD1 3.29Å
628	K	91.6	Very high	95.3	Very high	56 Å²	56	21.5 Å²	21.5	24%	0.243	11%	0.11	C	C	.	.	S	Bend	trans	-74.5	-31.9	-175.1	-173	177.4	174.6	-170.1	0	113.5	Y320 N626 I644	Y320-K628 HydrophobicContact CD2-CB 4.12Å; Y320-K628 HydrophobicContact CD2-CG 4.29Å; Y320-K628 HydrophobicContact CE2-CB 4.22Å; Y320-K628 HydrophobicContact CE2-CG 4.05Å; N626-K628 PolarHBondContact O-N 2.96Å; N626-K628 PolarHBondContact OD1-N 2.81Å; K628-I644 WeakPolarHBondContact O-CB 3.33Å; K628-I644 PolarHBondContact O-N 3.25Å
629	F	94.8	Very high	95.2	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.035	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	153.9	-169.8	-55.5	-71	0	0	0	112.8	S624 W642 D643 F690 L693	S624-F629 PolarHBondContact N-O 2.78Å; S624-F629 PolarHBondContact OG-N 3.11Å; S624-F629 PolarHBondContact OG-O 2.93Å; S624-F629 VanDerWaalsContact OG-O 3.13Å; F629-W642 CarbonylContact C-O 3.6Å; F629-W642 VanDerWaalsContact CA-O 3.24Å; F629-W642 WeakPolarHBondContact CA-O 3.41Å; F629-D643 HydrophobicContact CD1-CB 4.23Å; F629-D643 HydrophobicContact CE1-CB 4.2Å; F629-F690 HydrophobicContact CB-CE1 3.97Å; F629-F690 HydrophobicContact CB-CE2 4.22Å; F629-F690 HydrophobicContact CB-CZ 3.71Å; F629-F690 AromaticContact CD1-CD1 3.8Å; F629-F690 HydrophobicContact CD1-CD1 3.8Å; F629-F690 AromaticContact CD1-CE1 3.71Å; F629-F690 HydrophobicContact CD1-CE1 3.71Å; F629-F690 HydrophobicContact CD1-CG 4.44Å; F629-F690 HydrophobicContact CD1-CZ 4.3Å; F629-F690 AromaticContact CD2-CD1 3.94Å; F629-F690 HydrophobicContact CD2-CD1 3.94Å; F629-F690 AromaticContact CD2-CD2 3.68Å; F629-F690 HydrophobicContact CD2-CD2 3.68Å; F629-F690 HydrophobicContact CD2-CE1 4.01Å; F629-F690 AromaticContact CD2-CE2 3.77Å; F629-F690 HydrophobicContact CD2-CE2 3.77Å; F629-F690 AromaticContact CD2-CG 3.8Å; F629-F690 HydrophobicContact CD2-CG 3.8Å; F629-F690 AromaticContact CD2-CZ 3.95Å; F629-F690 HydrophobicContact CD2-CZ 3.95Å; F629-F690 AromaticContact CE1-CD1 3.73Å; F629-F690 HydrophobicContact CE1-CD1 3.73Å; F629-F690 HydrophobicContact CE1-CE1 4.15Å; F629-F690 HydrophobicContact CE1-CG 4.23Å; F629-F690 HydrophobicContact CE2-CB 3.78Å; F629-F690 AromaticContact CE2-CD1 3.87Å; F629-F690 HydrophobicContact CE2-CD1 3.87Å; F629-F690 AromaticContact CE2-CD2 3.77Å; F629-F690 HydrophobicContact CE2-CD2 3.77Å; F629-F690 HydrophobicContact CE2-CE1 4.41Å; F629-F690 HydrophobicContact CE2-CE2 4.34Å; F629-F690 AromaticContact CE2-CG 3.53Å; F629-F690 HydrophobicContact CE2-CG 3.53Å; F629-F690 AromaticContact CG-CD1 3.9Å; F629-F690 HydrophobicContact CG-CD1 3.9Å; F629-F690 HydrophobicContact CG-CD2 4.29Å; F629-F690 AromaticContact CG-CE1 3.63Å; F629-F690 HydrophobicContact CG-CE1 3.63Å; F629-F690 HydrophobicContact CG-CE2 4.07Å; F629-F690 HydrophobicContact CG-CG 4.24Å; F629-F690 AromaticContact CG-CZ 3.75Å; F629-F690 HydrophobicContact CG-CZ 3.75Å; F629-F690 HydrophobicContact CZ-CB 3.82Å; F629-F690 AromaticContact CZ-CD1 3.76Å; F629-F690 HydrophobicContact CZ-CD1 3.76Å; F629-F690 HydrophobicContact CZ-CD2 4.45Å; F629-F690 HydrophobicContact CZ-CE1 4.46Å; F629-F690 AromaticContact CZ-CG 3.76Å; F629-F690 HydrophobicContact CZ-CG 3.76Å; F629-L693 HydrophobicContact CE1-CD1 4.26Å; F629-L693 HydrophobicContact CZ-CD1 4.41Å
630	L	97.4	Very high	95.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.7	173	177.3	71	0	0	0	108.7	A589 I597 F611 L621 A622 F623 W642 I644	A589-L630 HydrophobicContact CB-CD1 4.39Å; A589-L630 HydrophobicContact CB-CD2 4.24Å; I597-L630 HydrophobicContact CG2-CD2 3.95Å; F611-L630 HydrophobicContact CD2-CD2 4.18Å; F611-L630 HydrophobicContact CE2-CD2 3.9Å; L621-L630 HydrophobicContact CB-CD1 4.45Å; L621-L630 HydrophobicContact CD2-CD1 4.49Å; L621-L630 HydrophobicContact CD2-CD2 4.47Å; A622-L630 CarbonylContact O-C 3.55Å; A622-L630 WeakPolarHBondContact O-CA 3.37Å; F623-L630 HydrophobicContact CD1-CB 4.32Å; F623-L630 HydrophobicContact CD1-CD1 3.88Å; F623-L630 HydrophobicContact CD2-CD1 4.21Å; F623-L630 HydrophobicContact CE1-CB 4.32Å; F623-L630 HydrophobicContact CE1-CD1 3.83Å; F623-L630 HydrophobicContact CE2-CD1 4.17Å; F623-L630 HydrophobicContact CG-CD1 4.09Å; F623-L630 HydrophobicContact CZ-CD1 4.01Å; L630-W642 HydrophobicContact CB-CB 4.25Å; L630-W642 PolarHBondContact N-O 3.08Å; L630-W642 PolarHBondContact O-N 2.96Å; L630-I644 HydrophobicContact CB-CD1 4.17Å; L630-I644 HydrophobicContact CB-CG1 4.17Å
631	A	97.7	Very high	95.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	150.4	166.8	0	0	0	0	0	109.7	L621 A622 V639 L640 L641 L663 F665 L672	L621-A631 CarbonylContact C-O 3.52Å; L621-A631 WeakPolarHBondContact CA-O 3.42Å; A622-A631 HydrophobicContact CB-CB 4.46Å; A622-A631 PolarHBondContact N-O 3.27Å; A622-A631 PolarHBondContact O-N 3.43Å; A631-V639 HydrophobicContact CB-CG1 4.27Å; A631-L640 CarbonylContact C-O 3.53Å; A631-L640 WeakPolarHBondContact CA-O 3.48Å; A631-L641 HydrophobicContact CB-CD2 3.71Å; A631-L663 HydrophobicContact CB-CD1 4.3Å; A631-F665 HydrophobicContact CB-CE2 3.67Å; A631-F665 HydrophobicContact CB-CZ 3.8Å; A631-L672 HydrophobicContact CB-CD1 4.2Å; A631-L672 HydrophobicContact CB-CD2 3.8Å
632	S	97.9	Very high	95	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	140.3	-177.8	55.8	0	0	0	0	111.2	I597 H614 A620 V639 L640 W642	I597-S632 VanDerWaalsContact CD1-OG 3.32Å; I597-S632 WeakPolarHBondContact CD1-OG 3.48Å; H614-S632 PolarHBondContact CE1-O 2.85Å; H614-S632 WeakPolarHBondContact NE2-CB 3.04Å; H614-S632 PolarHBondContact NE2-OG 2.9Å; A620-S632 CarbonylContact O-C 3.57Å; A620-S632 VanDerWaalsContact O-CA 3.31Å; A620-S632 WeakPolarHBondContact O-CA 3.4Å; S632-V639 CarbonylContact O-C 3.55Å; S632-V639 WeakPolarHBondContact O-CA 3.18Å; S632-V639 WeakPolarHBondContact O-CG1 3.13Å; S632-L640 PolarHBondContact N-O 2.94Å; S632-L640 PolarHBondContact O-N 2.9Å; S632-L640 PolarHBondContact OG-O 2.85Å; S632-W642 PolarHBondContact OG-NE1 2.97Å
633	G	97.1	Very high	94.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.8	-176.8	0	0	0	0	0	110.4	H619 A620 L663	H619-G633 PolarHBondContact N-O 3.24Å; A620-G633 PolarHBondContact N-O 2.81Å; A620-G633 PolarHBondContact O-N 2.66Å; G633-L663 VanDerWaalsContact N-CD1 3.29Å
634	A	96.5	Very high	94.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	-179.3	-175.7	0	0	0	0	0	111.9	H614 P617 D636 G637 I660	H614-A634 HydrophobicContact CB-CB 3.99Å; H614-A634 VanDerWaalsContact ND1-CB 3.28Å; H614-A634 WeakPolarHBondContact ND1-CB 3.45Å; P617-A634 CarbonylContact O-C 3.54Å; P617-A634 WeakPolarHBondContact O-CA 3.42Å; P617-A634 VanDerWaalsContact O-CB 3.26Å; P617-A634 WeakPolarHBondContact O-CB 3.28Å; A634-D636 PolarHBondContact O-N 2.82Å; A634-G637 PolarHBondContact O-N 2.82Å; A634-I660 PolarHBondContact O-N 3.39Å
635	T	95.6	Very high	94.2	Very high	58 Å²	58	18.5 Å²	18.5	36%	0.356	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.2	175	-43.3	0	0	0	0	112.9	P617 H619 G637 C659	P617-T635 WeakPolarHBondContact CD-OG1 3.36Å; P617-T635 PolarHBondContact O-N 2.86Å; P617-T635 PolarHBondContact O-OG1 2.87Å; P617-T635 VanDerWaalsContact O-OG1 3.12Å; H619-T635 PolarHBondContact CD2-OG1 2.84Å; H619-T635 PolarHBondContact NE2-OG1 2.83Å; T635-G637 PolarHBondContact O-N 2.89Å; T635-C659 HydrophobicContact CG2-CB 4.29Å
636	D	92.9	Very high	93.9	Very high	40 Å²	40	19.7 Å²	19.7	21%	0.214	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	1.8	-179.2	66.9	3.2	0	0	0	114.7	H614 K615 A634 R638	H614-D636 IonicContact ND1-OD1 3.33Å; H614-D636 IonicContact ND1-OD2 3.66Å; K615-D636 HydrophobicContact CB-CB 3.93Å; K615-D636 PolarHBondContact N-OD2 3.37Å; A634-D636 PolarHBondContact O-N 2.82Å; D636-R638 PolarHBondContact O-N 3.26Å; D636-R638 WeakPolarHBondContact OD1-CB 3.41Å; D636-R638 PolarHBondContact OD1-N 2.82Å
637	G	93.4	Very high	93.8	Very high	2 Å²	2	16 Å²	16	2%	0.021	8%	0.083	C	C	.	.	S	Bend	trans	72.1	11	179.5	0	0	0	0	0	114	A634 T635 H656	A634-G637 PolarHBondContact O-N 2.82Å; T635-G637 PolarHBondContact O-N 2.89Å; G637-H656 WeakPolarHBondContact O-CB 3.47Å
638	R	94.3	Very high	93.7	Very high	71 Å²	71	16.6 Å²	16.6	27%	0.268	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	142	179.9	-60.7	172.3	-179.7	-153.8	-2.4	110.9	D636 E652	D636-R638 PolarHBondContact O-N 3.26Å; D636-R638 WeakPolarHBondContact OD1-CB 3.41Å; D636-R638 PolarHBondContact OD1-N 2.82Å; R638-E652 VanDerWaalsContact CD-OE1 3.27Å; R638-E652 WeakPolarHBondContact CD-OE1 3.48Å; R638-E652 IonicContact CZ-OE1 2.74Å; R638-E652 IonicContact NE-OE1 3.96Å; R638-E652 PolarHBondContact NE-OE1 2.6Å; R638-E652 IonicContact NH1-OE1 3.74Å; R638-E652 PolarHBondContact NH1-OE1 2.65Å
639	V	96.9	Very high	93.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118.3	164.4	-174.9	0	0	0	0	108.8	A631 S632 L641 L653 I660 L663 L672	A631-V639 HydrophobicContact CB-CG1 4.27Å; S632-V639 CarbonylContact O-C 3.55Å; S632-V639 WeakPolarHBondContact O-CA 3.18Å; S632-V639 WeakPolarHBondContact O-CG1 3.13Å; V639-L641 HydrophobicContact CG1-CD2 4.36Å; V639-L653 HydrophobicContact CB-CB 4.06Å; V639-L653 HydrophobicContact CB-CD1 4.11Å; V639-L653 HydrophobicContact CB-CG 4.38Å; V639-L653 HydrophobicContact CG1-CD1 4.15Å; V639-L653 PolarHBondContact N-O 2.99Å; V639-L653 PolarHBondContact O-N 3.1Å; V639-I660 HydrophobicContact CG2-CD1 3.35Å; V639-L663 HydrophobicContact CG1-CD1 4.1Å; V639-L663 HydrophobicContact CG1-CD2 4.02Å; V639-L663 HydrophobicContact CG2-CD2 3.93Å; V639-L672 HydrophobicContact CG1-CD2 3.95Å
640	L	95.9	Very high	93.4	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.6	175.2	-57.6	-176.8	0	0	0	110.1	H614 A631 S632 W642 M649 E652	H614-L640 VanDerWaalsContact CE1-CG 3.47Å; H614-L640 WeakPolarHBondContact CE1-CG 3.49Å; A631-L640 CarbonylContact C-O 3.53Å; A631-L640 WeakPolarHBondContact CA-O 3.48Å; S632-L640 PolarHBondContact N-O 2.94Å; S632-L640 PolarHBondContact O-N 2.9Å; S632-L640 PolarHBondContact OG-O 2.85Å; L640-W642 HydrophobicContact CB-CZ2 3.86Å; L640-W642 HydrophobicContact CD1-CH2 4.41Å; L640-W642 HydrophobicContact CD1-CZ2 3.72Å; L640-W642 HydrophobicContact CG-CZ2 4.44Å; L640-M649 HydrophobicContact CB-SD 4.24Å; L640-M649 HydrophobicContact CD1-SD 3.88Å; L640-M649 HydrophobicContact CD2-SD 3.78Å; L640-M649 HydrophobicContact CG-SD 4.17Å; L640-E652 HydrophobicContact CD2-CB 3.89Å; L640-E652 HydrophobicContact CD2-CG 3.65Å
641	L	95.3	Very high	93	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	133.2	178.1	-56.6	179.7	0	0	0	109.8	A631 V639 V650 G651 L653 L672 A689 F690	A631-L641 HydrophobicContact CB-CD2 3.71Å; V639-L641 HydrophobicContact CG1-CD2 4.36Å; L641-V650 HydrophobicContact CB-CG2 3.73Å; L641-V650 WeakPolarHBondContact O-CG2 3.38Å; L641-V650 PolarHBondContact O-N 2.62Å; L641-G651 PolarHBondContact N-O 3.49Å; L641-L653 HydrophobicContact CD1-CD1 4.21Å; L641-L653 HydrophobicContact CD1-CD2 4.33Å; L641-L653 HydrophobicContact CD1-CG 4.32Å; L641-L653 HydrophobicContact CD2-CD1 4.29Å; L641-L653 HydrophobicContact CG-CD1 4.33Å; L641-L653 HydrophobicContact CG-CG 4.44Å; L641-L672 HydrophobicContact CD2-CD2 3.93Å; L641-A689 HydrophobicContact CD1-CB 3.73Å; L641-F690 HydrophobicContact CB-CE1 4.09Å; L641-F690 HydrophobicContact CD1-CE1 3.91Å; L641-F690 HydrophobicContact CD1-CZ 4.11Å; L641-F690 HydrophobicContact CD2-CZ 4.3Å; L641-F690 HydrophobicContact CG-CE1 4.44Å
642	W	94.8	Very high	92.8	Very high	2 Å²	2	16 Å²	16	1%	0.008	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.9	-174	-54.3	96	0	0	0	111.2	M301 F611 T612 F629 L630 S632 L640 L648 M649	M301-W642 HydrophobicContact CE-CZ3 4.32Å; F611-W642 HydrophobicContact CB-CD2 3.75Å; F611-W642 HydrophobicContact CB-CE3 3.75Å; F611-W642 HydrophobicContact CB-CG 4.47Å; F611-W642 HydrophobicContact CB-CH2 3.91Å; F611-W642 HydrophobicContact CB-CZ2 3.87Å; F611-W642 HydrophobicContact CB-CZ3 3.81Å; F611-W642 HydrophobicContact CD1-CB 4.25Å; F611-W642 AromaticContact CD1-CD2 3.73Å; F611-W642 HydrophobicContact CD1-CD2 3.73Å; F611-W642 AromaticContact CD1-CE3 3.35Å; F611-W642 HydrophobicContact CD1-CE3 3.35Å; F611-W642 HydrophobicContact CD1-CG 4.12Å; F611-W642 AromaticContact CD1-CZ3 3.98Å; F611-W642 HydrophobicContact CD1-CZ3 3.98Å; F611-W642 HydrophobicContact CE1-CB 4.07Å; F611-W642 HydrophobicContact CE1-CD2 4.42Å; F611-W642 HydrophobicContact CE1-CE3 4.13Å; F611-W642 HydrophobicContact CE1-CG 4.42Å; F611-W642 AromaticContact CG-CD2 3.81Å; F611-W642 HydrophobicContact CG-CD2 3.81Å; F611-W642 AromaticContact CG-CE3 3.82Å; F611-W642 HydrophobicContact CG-CE3 3.82Å; F611-W642 HydrophobicContact CG-CG 4.15Å; F611-W642 HydrophobicContact CG-CZ3 4.32Å; F611-W642 HydrophobicContact CZ-CB 4.31Å; T612-W642 VanDerWaalsContact O-CH2 3.3Å; T612-W642 WeakPolarHBondContact O-CH2 3.11Å; F629-W642 CarbonylContact C-O 3.6Å; F629-W642 VanDerWaalsContact CA-O 3.24Å; F629-W642 WeakPolarHBondContact CA-O 3.41Å; L630-W642 HydrophobicContact CB-CB 4.25Å; L630-W642 PolarHBondContact N-O 3.08Å; L630-W642 PolarHBondContact O-N 2.96Å; S632-W642 PolarHBondContact OG-NE1 2.97Å; L640-W642 HydrophobicContact CB-CZ2 3.86Å; L640-W642 HydrophobicContact CD1-CH2 4.41Å; L640-W642 HydrophobicContact CD1-CZ2 3.72Å; L640-W642 HydrophobicContact CG-CZ2 4.44Å; W642-L648 WeakPolarHBondContact CA-O 3.42Å; W642-M649 HydrophobicContact CE3-CB 3.85Å; W642-M649 HydrophobicContact CE3-CG 4.4Å; W642-M649 HydrophobicContact CH2-CB 3.96Å; W642-M649 HydrophobicContact CH2-CG 4.17Å; W642-M649 HydrophobicContact CH2-SD 3.77Å; W642-M649 HydrophobicContact CZ2-SD 4.14Å; W642-M649 HydrophobicContact CZ3-CB 3.47Å; W642-M649 VanDerWaalsContact CZ3-CB 3.47Å; W642-M649 HydrophobicContact CZ3-CG 4.11Å; W642-M649 HydrophobicContact CZ3-SD 4.28Å
643	D	92.4	Very high	92.6	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.7	164	-175.3	-13.9	0	0	0	109.5	F629 G645 H646 G647 L648 V650	F629-D643 HydrophobicContact CD1-CB 4.23Å; F629-D643 HydrophobicContact CE1-CB 4.2Å; D643-G645 PolarHBondContact OD1-N 2.79Å; D643-H646 IonicContact OD2-CE1 3.36Å; D643-H646 IonicContact OD2-CG 3.59Å; D643-H646 IonicContact OD2-ND1 2.93Å; D643-H646 PolarHBondContact OD2-ND1 3.37Å; D643-G647 VanDerWaalsContact O-CA 3.26Å; D643-G647 WeakPolarHBondContact O-CA 3.21Å; D643-G647 PolarHBondContact O-N 3.41Å; D643-L648 PolarHBondContact N-O 3.03Å; D643-L648 PolarHBondContact O-N 3.14Å; D643-V650 HydrophobicContact CB-CG1 3.69Å
644	I	92.4	Very high	92.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-34.4	-178.3	-65.6	159	0	0	0	111.1	V318 L599 R609 F623 G627 K628 L630	V318-I644 HydrophobicContact CB-CG2 4.41Å; V318-I644 HydrophobicContact CG1-CG2 3.61Å; L599-I644 HydrophobicContact CD2-CG2 3.66Å; R609-I644 PolarHBondContact NE-O 3.4Å; R609-I644 PolarHBondContact NH2-O 3.25Å; F623-I644 HydrophobicContact CD1-CD1 3.56Å; F623-I644 HydrophobicContact CE1-CD1 3.45Å; F623-I644 VanDerWaalsContact CE1-CD1 3.45Å; F623-I644 HydrophobicContact CE1-CG1 4.4Å; G627-I644 VanDerWaalsContact O-CD1 3.27Å; G627-I644 WeakPolarHBondContact O-CD1 3.29Å; K628-I644 WeakPolarHBondContact O-CB 3.33Å; K628-I644 PolarHBondContact O-N 3.25Å; L630-I644 HydrophobicContact CB-CD1 4.17Å; L630-I644 HydrophobicContact CB-CG1 4.17Å
645	G	88.1	Confident	92	Very high	20 Å²	20	20.2 Å²	20.2	21%	0.206	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-55.4	-179.3	0	0	0	0	0	111.1	R609 D643	R609-G645 PolarHBondContact NH2-O 2.94Å; D643-G645 PolarHBondContact OD1-N 2.79Å
646	H	85.5	Confident	91.9	Very high	70 Å²	70	18.1 Å²	18.1	32%	0.324	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-18.6	-177.6	-58.6	105.8	0	0	0	114	D643 L648 T695	D643-H646 IonicContact OD2-CE1 3.36Å; D643-H646 IonicContact OD2-CG 3.59Å; D643-H646 IonicContact OD2-ND1 2.93Å; D643-H646 PolarHBondContact OD2-ND1 3.37Å; H646-L648 HydrophobicContact CB-CD1 3.9Å; H646-L648 HydrophobicContact CB-CG 3.96Å; H646-T695 PolarHBondContact CE1-OG1 3.39Å; H646-T695 VanDerWaalsContact CE1-OG1 3.24Å
647	G	88.4	Confident	92	Very high	6 Å²	6	21.4 Å²	21.4	6%	0.062	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	33.2	-178.1	0	0	0	0	0	113.5	N314 D643	N314-G647 PolarHBondContact ND2-O 2.88Å; N314-G647 VanDerWaalsContact ND2-O 3.09Å; D643-G647 VanDerWaalsContact O-CA 3.26Å; D643-G647 WeakPolarHBondContact O-CA 3.21Å; D643-G647 PolarHBondContact O-N 3.41Å
648	L	88.1	Confident	92	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.063	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	149.6	-172.3	-61.3	176.4	0	0	0	111.5	W642 D643 H646 G703 I705	W642-L648 WeakPolarHBondContact CA-O 3.42Å; D643-L648 PolarHBondContact N-O 3.03Å; D643-L648 PolarHBondContact O-N 3.14Å; H646-L648 HydrophobicContact CB-CD1 3.9Å; H646-L648 HydrophobicContact CB-CG 3.96Å; L648-G703 VanDerWaalsContact CD2-C 3.44Å; L648-G703 WeakPolarHBondContact CD2-O 3.33Å; L648-I705 HydrophobicContact CB-CD1 4.11Å; L648-I705 HydrophobicContact CD1-CD1 3.7Å; L648-I705 HydrophobicContact CD1-CG1 4.02Å
649	M	90.9	Very high	92.1	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.03	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	128.4	166.2	-169.1	155.7	69	0	0	108.9	A300 M301 L640 W642 L707	A300-M649 HydrophobicContact CB-CE 3.42Å; A300-M649 VanDerWaalsContact CB-CE 3.42Å; M301-M649 HydrophobicContact CG-CE 4.05Å; M301-M649 HydrophobicContact SD-CB 3.69Å; M301-M649 HydrophobicContact SD-CE 3.33Å; M301-M649 WeakPolarHBondContact SD-CE 3.37Å; M301-M649 HydrophobicContact SD-SD 4.12Å; L640-M649 HydrophobicContact CB-SD 4.24Å; L640-M649 HydrophobicContact CD1-SD 3.88Å; L640-M649 HydrophobicContact CD2-SD 3.78Å; L640-M649 HydrophobicContact CG-SD 4.17Å; W642-M649 HydrophobicContact CE3-CB 3.85Å; W642-M649 HydrophobicContact CE3-CG 4.4Å; W642-M649 HydrophobicContact CH2-CB 3.96Å; W642-M649 HydrophobicContact CH2-CG 4.17Å; W642-M649 HydrophobicContact CH2-SD 3.77Å; W642-M649 HydrophobicContact CZ2-SD 4.14Å; W642-M649 HydrophobicContact CZ3-CB 3.47Å; W642-M649 VanDerWaalsContact CZ3-CB 3.47Å; W642-M649 HydrophobicContact CZ3-CG 4.11Å; W642-M649 HydrophobicContact CZ3-SD 4.28Å; M649-L707 HydrophobicContact CE-CD1 3.23Å; M649-L707 HydrophobicContact CG-CD1 4.18Å; M649-L707 HydrophobicContact CG-CD2 4.48Å; M649-L707 HydrophobicContact SD-CD1 4.38Å
650	V	90.3	Very high	92.1	Very high	22 Å²	22	23.3 Å²	23.3	13%	0.133	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-21.8	-175.4	-54.3	0	0	0	0	112.9	L641 D643 F690 L693	L641-V650 HydrophobicContact CB-CG2 3.73Å; L641-V650 WeakPolarHBondContact O-CG2 3.38Å; L641-V650 PolarHBondContact O-N 2.62Å; D643-V650 HydrophobicContact CB-CG1 3.69Å; V650-F690 HydrophobicContact CG2-CD1 4.1Å; V650-F690 HydrophobicContact CG2-CE1 3.91Å; V650-L693 HydrophobicContact CB-CD1 4Å; V650-L693 HydrophobicContact CB-CD2 3.98Å; V650-L693 HydrophobicContact CB-CG 4.39Å; V650-L693 HydrophobicContact CG1-CD1 4.33Å; V650-L693 HydrophobicContact CG1-CD2 3.45Å; V650-L693 VanDerWaalsContact CG1-CD2 3.45Å; V650-L693 HydrophobicContact CG1-CG 4.38Å; V650-L693 HydrophobicContact CG2-CD1 4.26Å
651	G	89.3	Confident	92	Very high	7 Å²	7	27.8 Å²	27.8	7%	0.072	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	152.6	179.2	0	0	0	0	0	112.2	L641	L641-G651 PolarHBondContact N-O 3.49Å
652	E	91.9	Very high	92	Very high	16 Å²	16	28 Å²	28	8%	0.075	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	117.7	174.4	177.6	-176.1	-165.1	0	0	108.3	R638 L640 K654	R638-E652 VanDerWaalsContact CD-OE1 3.27Å; R638-E652 WeakPolarHBondContact CD-OE1 3.48Å; R638-E652 IonicContact CZ-OE1 2.74Å; R638-E652 IonicContact NE-OE1 3.96Å; R638-E652 PolarHBondContact NE-OE1 2.6Å; R638-E652 IonicContact NH1-OE1 3.74Å; R638-E652 PolarHBondContact NH1-OE1 2.65Å; L640-E652 HydrophobicContact CD2-CB 3.89Å; L640-E652 HydrophobicContact CD2-CG 3.65Å; E652-K654 HydrophobicContact CG-CG 4.03Å; E652-K654 WeakPolarHBondContact OE1-CE 3.44Å; E652-K654 WeakPolarHBondContact OE2-CE 3.43Å; E652-K654 IonicContact OE2-NZ 3.71Å; E652-K654 PolarHBondContact OE2-NZ 3.36Å
653	L	93.8	Very high	92.1	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	106.6	178.5	-44.9	173.9	0	0	0	108.5	V639 L641 L672 W684 L714	V639-L653 HydrophobicContact CB-CB 4.06Å; V639-L653 HydrophobicContact CB-CD1 4.11Å; V639-L653 HydrophobicContact CB-CG 4.38Å; V639-L653 HydrophobicContact CG1-CD1 4.15Å; V639-L653 PolarHBondContact N-O 2.99Å; V639-L653 PolarHBondContact O-N 3.1Å; L641-L653 HydrophobicContact CD1-CD1 4.21Å; L641-L653 HydrophobicContact CD1-CD2 4.33Å; L641-L653 HydrophobicContact CD1-CG 4.32Å; L641-L653 HydrophobicContact CD2-CD1 4.29Å; L641-L653 HydrophobicContact CG-CD1 4.33Å; L641-L653 HydrophobicContact CG-CG 4.44Å; L653-L672 HydrophobicContact CD1-CD2 4.08Å; L653-W684 HydrophobicContact CB-CD2 4.07Å; L653-W684 HydrophobicContact CB-CE3 3.93Å; L653-W684 HydrophobicContact CB-CH2 4.01Å; L653-W684 HydrophobicContact CB-CZ2 4.15Å; L653-W684 HydrophobicContact CB-CZ3 3.89Å; L653-W684 HydrophobicContact CD1-CB 3.92Å; L653-W684 HydrophobicContact CD1-CD2 3.78Å; L653-W684 HydrophobicContact CD1-CE3 4.15Å; L653-W684 HydrophobicContact CD1-CG 3.67Å; L653-W684 HydrophobicContact CD2-CE3 4.09Å; L653-W684 HydrophobicContact CG-CD2 4.35Å; L653-W684 HydrophobicContact CG-CE3 4.28Å; L653-L714 HydrophobicContact CD2-CB 4.16Å; L653-L714 HydrophobicContact CD2-CD1 3.45Å; L653-L714 VanDerWaalsContact CD2-CD1 3.45Å; L653-L714 HydrophobicContact CD2-CG 4.47Å
654	K	92.6	Very high	92.4	Very high	65 Å²	65	31.3 Å²	31.3	28%	0.283	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.3	177.3	-59.6	173.7	-171.1	162.7	0	109.3	E652 W684 D709	E652-K654 HydrophobicContact CG-CG 4.03Å; E652-K654 WeakPolarHBondContact OE1-CE 3.44Å; E652-K654 WeakPolarHBondContact OE2-CE 3.43Å; E652-K654 IonicContact OE2-NZ 3.71Å; E652-K654 PolarHBondContact OE2-NZ 3.36Å; K654-W684 WeakPolarHBondContact O-CH2 3.2Å; K654-D709 IonicContact NZ-OD2 3.37Å
655	G	88.9	Confident	92.6	Very high	23 Å²	23	31.7 Å²	31.7	24%	0.237	17%	0.166	C	C	.	.			trans	172.6	-38.5	173.2	0	0	0	0	0	115.1	R682	G655-R682 VanDerWaalsContact CA-NH1 3.29Å; G655-R682 PolarHBondContact O-NH1 3.29Å; G655-R682 PolarHBondContact O-NH2 2.92Å
656	H	94.4	Very high	92.9	Very high	14 Å²	14	30.7 Å²	30.7	7%	0.065	16%	0.156	C	C	.	.			trans	-67.9	146.1	174.3	-74.7	-68.1	0	0	0	110.6	G637 I660 S674 S676 D678 T680	G637-H656 WeakPolarHBondContact O-CB 3.47Å; H656-I660 HydrophobicContact CB-CD1 4.28Å; H656-I660 HydrophobicContact CB-CG1 4.22Å; H656-S674 PolarHBondContact CD2-OG 3.2Å; H656-S674 WeakPolarHBondContact NE2-CB 3.29Å; H656-S674 PolarHBondContact NE2-OG 3.23Å; H656-S676 WeakPolarHBondContact ND1-CB 3.5Å; H656-D678 WeakPolarHBondContact CA-OD2 3.4Å; H656-D678 IonicContact CE1-OD1 3.66Å; H656-D678 IonicContact CE1-OD2 2.76Å; H656-D678 IonicContact CG-OD2 3.58Å; H656-D678 IonicContact ND1-OD1 3.53Å; H656-D678 PolarHBondContact ND1-OD1 3.42Å; H656-D678 IonicContact ND1-OD2 2.69Å; H656-D678 PolarHBondContact ND1-OD2 3.19Å; H656-T680 PolarHBondContact CE1-OG1 3.24Å; H656-T680 PolarHBondContact ND1-OG1 3.47Å
657	T	93.8	Very high	93.1	Very high	109 Å²	109	29 Å²	29	67%	0.669	15%	0.147	S	C	*	.	S	Bend	trans	-98.3	-16.3	179.8	58.2	0	0	0	0	112.9	D678	T657-D678 PolarHBondContact N-OD2 3.15Å; T657-D678 VanDerWaalsContact OG1-CB 3.3Å; T657-D678 WeakPolarHBondContact OG1-CB 3.36Å
658	E	94.6	Very high	93	Very high	105 Å²	105	31.8 Å²	31.8	49%	0.491	16%	0.161	S	C	.	.	S	Bend	trans	-136.9	175.3	-175	-66.2	-70.7	163.1	0	0	110.8	S676 M677 D678	E658-S676 PolarHBondContact O-OG 2.9Å; E658-M677 HydrophobicContact CB-CB 3.93Å; E658-D678 HydrophobicContact CB-CB 4.01Å; E658-D678 HydrophobicContact CG-CB 4.17Å
659	C	94.9	Very high	93.1	Very high	7 Å²	7	32 Å²	32	5%	0.047	17%	0.165	C	C	.	.			trans	-48.4	135.4	-177.3	-174	0	0	0	0	114.6	H619 T635 Y661 S676 M677	H619-C659 PolarHBondContact CD2-SG 2.9Å; T635-C659 HydrophobicContact CG2-CB 4.29Å; C659-Y661 HydrophobicContact CB-CE2 4.49Å; C659-S676 CarbonylContact O-C 3.53Å; C659-S676 VanDerWaalsContact O-CA 3.27Å; C659-S676 WeakPolarHBondContact O-CA 3.49Å; C659-S676 WeakPolarHBondContact O-CB 3.36Å; C659-S676 PolarHBondContact O-OG 3.14Å; C659-M677 HydrophobicContact CB-CB 4.41Å; C659-M677 PolarHBondContact O-N 3.39Å
660	I	97.1	Very high	93.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	108.4	177.9	-53.9	-179.5	0	0	0	109.7	H619 A620 A634 V639 H656 L663	H619-I660 WeakPolarHBondContact CB-O 3.45Å; A620-I660 HydrophobicContact CB-CG2 4.45Å; A634-I660 PolarHBondContact O-N 3.39Å; V639-I660 HydrophobicContact CG2-CD1 3.35Å; H656-I660 HydrophobicContact CB-CD1 4.28Å; H656-I660 HydrophobicContact CB-CG1 4.22Å; I660-L663 HydrophobicContact CG2-CD2 4.16Å; I660-L663 HydrophobicContact CG2-CG 4.16Å
661	Y	94.8	Very high	93.3	Very high	96 Å²	96	31.7 Å²	31.7	38%	0.376	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-26.8	-178.6	-74.1	-64.7	0	0	0	114	H619 C659 G675 M677	H619-Y661 HydrophobicContact CB-CD1 4.26Å; C659-Y661 HydrophobicContact CB-CE2 4.49Å; Y661-G675 PolarHBondContact N-O 3Å; Y661-G675 VanDerWaalsContact N-O 3.09Å; Y661-M677 HydrophobicContact CD2-CB 4.29Å; Y661-M677 HydrophobicContact CE2-CB 3.8Å; Y661-M677 HydrophobicContact CE2-CG 4.15Å; Y661-M677 HydrophobicContact CE2-SD 3.72Å
662	S	95.1	Very high	93.7	Very high	7 Å²	7	31.4 Å²	31.4	5%	0.049	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	135.2	-174.7	177.2	0	0	0	0	113.3	S674 G675 V727 L729	S662-S674 WeakPolarHBondContact O-CA 3.32Å; S662-G675 PolarHBondContact N-O 2.95Å; S662-G675 PolarHBondContact O-N 3.42Å; S662-V727 WeakPolarHBondContact CB-O 3.47Å; S662-L729 WeakPolarHBondContact OG-CB 3.49Å; S662-L729 PolarHBondContact OG-N 2.8Å
663	L	97.6	Very high	93.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.6	172.1	-70.8	171.9	0	0	0	110.4	R580 A620 A622 A631 G633 V639 I660 L672 G673	R580-L663 PolarHBondContact NH1-O 3.29Å; R580-L663 PolarHBondContact NH2-O 3.49Å; A620-L663 HydrophobicContact CB-CB 4.16Å; A620-L663 HydrophobicContact CB-CD1 3.85Å; A620-L663 HydrophobicContact CB-CG 3.77Å; A622-L663 HydrophobicContact CB-CB 3.74Å; A622-L663 WeakPolarHBondContact CB-O 3.3Å; A631-L663 HydrophobicContact CB-CD1 4.3Å; G633-L663 VanDerWaalsContact N-CD1 3.29Å; V639-L663 HydrophobicContact CG1-CD1 4.1Å; V639-L663 HydrophobicContact CG1-CD2 4.02Å; V639-L663 HydrophobicContact CG2-CD2 3.93Å; I660-L663 HydrophobicContact CG2-CD2 4.16Å; I660-L663 HydrophobicContact CG2-CG 4.16Å; L663-L672 HydrophobicContact CD2-CD1 4.33Å; L663-L672 HydrophobicContact CD2-CD2 4.5Å; L663-G673 WeakPolarHBondContact CA-O 3.4Å
664	R	97.3	Very high	94.1	Very high	71 Å²	71	30.6 Å²	30.6	27%	0.268	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	126.7	176.4	-161.5	75.8	-151.6	-169.6	2	111	G673 L729 F731	R664-G673 PolarHBondContact N-O 2.98Å; R664-G673 PolarHBondContact O-N 3.48Å; R664-L729 HydrophobicContact CB-CB 3.97Å; R664-F731 HydrophobicContact CB-CD2 4.19Å; R664-F731 HydrophobicContact CB-CE2 4.47Å; R664-F731 HydrophobicContact CG-CD2 3.84Å; R664-F731 WeakPolarHBondContact O-CE2 3.08Å
665	F	96.4	Very high	94.3	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.031	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	148.4	166.8	-76	-83.9	0	0	0	110.8	A622 F623 P625 A631 I671 L672 A686 F690 F731	A622-F665 HydrophobicContact CB-CD2 4.04Å; A622-F665 HydrophobicContact CB-CE2 4.17Å; A622-F665 WeakPolarHBondContact O-CE2 3.39Å; F623-F665 VanDerWaalsContact O-CD2 3.31Å; F623-F665 WeakPolarHBondContact O-CD2 3.21Å; P625-F665 HydrophobicContact CG-CB 4.27Å; A631-F665 HydrophobicContact CB-CE2 3.67Å; A631-F665 HydrophobicContact CB-CZ 3.8Å; F665-I671 WeakPolarHBondContact CA-O 3.43Å; F665-L672 HydrophobicContact CD1-CB 4.12Å; F665-L672 HydrophobicContact CD1-CD1 4.07Å; F665-L672 HydrophobicContact CD2-CD1 3.95Å; F665-L672 HydrophobicContact CE1-CB 3.97Å; F665-L672 HydrophobicContact CE1-CD1 4.03Å; F665-L672 HydrophobicContact CE1-CD2 4.48Å; F665-L672 HydrophobicContact CE1-CG 4.39Å; F665-L672 HydrophobicContact CE2-CD1 3.91Å; F665-L672 HydrophobicContact CG-CD1 4.03Å; F665-L672 HydrophobicContact CZ-CD1 3.96Å; F665-L672 HydrophobicContact CZ-CD2 4.33Å; F665-A686 HydrophobicContact CD1-CB 4.29Å; F665-A686 HydrophobicContact CE1-CB 3.94Å; F665-F690 HydrophobicContact CE1-CE2 4.03Å; F665-F690 HydrophobicContact CE1-CZ 4.35Å; F665-F690 HydrophobicContact CZ-CE2 4.37Å; F665-F690 HydrophobicContact CZ-CZ 4.28Å; F665-F731 VanDerWaalsContact O-CD2 3.24Å; F665-F731 WeakPolarHBondContact O-CD2 3.48Å
666	S	94.6	Very high	94.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.			trans	-58.8	161	165.3	72.2	0	0	0	0	110.5	P625 D668 G669 E670 I671	P625-S666 WeakPolarHBondContact CG-O 3.38Å; S666-D668 PolarHBondContact O-N 3.19Å; S666-G669 PolarHBondContact O-N 2.76Å; S666-G669 PolarHBondContact OG-N 2.62Å; S666-E670 PolarHBondContact OG-N 2.77Å; S666-E670 VanDerWaalsContact OG-N 3.1Å; S666-I671 PolarHBondContact N-O 2.7Å; S666-I671 PolarHBondContact OG-N 3.22Å
667	R	90.7	Very high	94.5	Very high	35 Å²	35	29.7 Å²	29.7	13%	0.132	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.6	-176	-61	-59.9	-175.1	149.3	3.7	113.3	R396 D426 H730 F731 T732 N735	R396-R667 VanDerWaalsContact NH1-CB 3.26Å; D426-R667 IonicContact OD1-CZ 3.23Å; D426-R667 IonicContact OD1-NH1 2.85Å; D426-R667 PolarHBondContact OD1-NH1 2.87Å; D426-R667 IonicContact OD1-NH2 2.68Å; D426-R667 PolarHBondContact OD1-NH2 2.93Å; R667-H730 PolarHBondContact NH2-CE1 2.79Å; R667-F731 HydrophobicContact CG-CB 4.34Å; R667-F731 VanDerWaalsContact CZ-O 3.24Å; R667-F731 PolarHBondContact NE-O 2.9Å; R667-F731 PolarHBondContact NH2-O 3.23Å; R667-T732 WeakPolarHBondContact CG-O 3.48Å; R667-N735 PolarHBondContact N-OD1 2.65Å
668	D	86.5	Confident	94.5	Very high	64 Å²	64	25.6 Å²	25.6	34%	0.342	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-11.3	175.3	-53.4	-43	0	0	0	112.3	R396 S666 E670 N735	R396-D668 WeakPolarHBondContact CD-OD1 3.49Å; R396-D668 WeakPolarHBondContact CD-OD2 3.45Å; R396-D668 IonicContact CZ-OD1 3.57Å; R396-D668 IonicContact NE-OD1 3.49Å; R396-D668 IonicContact NH1-OD1 3.45Å; R396-D668 PolarHBondContact NH1-OD1 2.85Å; S666-D668 PolarHBondContact O-N 3.19Å; D668-E670 VanDerWaalsContact C-N 3.3Å; D668-E670 HydrophobicContact CB-CG 4.09Å; D668-N735 PolarHBondContact OD2-ND2 3.01Å
669	G	89.8	Confident	94.4	Very high	16 Å²	16	22.6 Å²	22.6	17%	0.165	11%	0.109	C	C	.	.	S	Bend	trans	79.7	7.3	-178.5	0	0	0	0	0	114.6	S666 A686	S666-G669 PolarHBondContact O-N 2.76Å; S666-G669 PolarHBondContact OG-N 2.62Å; G669-A686 WeakPolarHBondContact O-CB 3.18Å
670	E	90.9	Very high	94.4	Very high	21 Å²	21	22.7 Å²	22.7	10%	0.098	11%	0.109	C	C	.	.	S	Bend	trans	-79.2	-29.3	-175.5	-64.5	174.4	146.2	0	0	113.5	R398 L399 S666 D668 A686 T687	R398-E670 VanDerWaalsContact CG-OE2 3.3Å; R398-E670 WeakPolarHBondContact CG-OE2 3.21Å; R398-E670 IonicContact CZ-OE1 2.67Å; R398-E670 IonicContact NE-OE1 3.53Å; R398-E670 PolarHBondContact NE-OE1 3.22Å; R398-E670 IonicContact NE-OE2 3.59Å; R398-E670 IonicContact NH2-OE1 2.95Å; R398-E670 PolarHBondContact NH2-OE1 3.06Å; L399-E670 PolarHBondContact N-OE2 2.88Å; S666-E670 PolarHBondContact OG-N 2.77Å; S666-E670 VanDerWaalsContact OG-N 3.1Å; D668-E670 VanDerWaalsContact C-N 3.3Å; D668-E670 HydrophobicContact CB-CG 4.09Å; E670-A686 WeakPolarHBondContact O-CB 3.44Å; E670-A686 PolarHBondContact O-N 2.87Å; E670-T687 HydrophobicContact CB-CG2 3.85Å; E670-T687 HydrophobicContact CG-CG2 3.83Å; E670-T687 PolarHBondContact O-N 2.93Å
671	I	94.8	Very high	94.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.1	-179.2	-63.8	-174.1	0	0	0	109.7	L399 L404 F665 S666 L683 W684 L716	L399-I671 HydrophobicContact CB-CD1 3.72Å; L399-I671 HydrophobicContact CB-CG1 4.1Å; L399-I671 HydrophobicContact CD1-CD1 4.19Å; L399-I671 HydrophobicContact CG-CD1 4.5Å; L404-I671 HydrophobicContact CD2-CD1 4.35Å; F665-I671 WeakPolarHBondContact CA-O 3.43Å; S666-I671 PolarHBondContact N-O 2.7Å; S666-I671 PolarHBondContact OG-N 3.22Å; I671-L683 HydrophobicContact CG2-CB 4.09Å; I671-L683 HydrophobicContact CG2-CD2 4.18Å; I671-W684 WeakPolarHBondContact CA-O 3.3Å; I671-L716 HydrophobicContact CD1-CD1 3.77Å; I671-L716 HydrophobicContact CG1-CD1 3.94Å
672	L	96.8	Very high	94.5	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.4	168.4	176.6	64.1	0	0	0	109.8	A631 V639 L641 L653 L663 F665 L683 W684	A631-L672 HydrophobicContact CB-CD1 4.2Å; A631-L672 HydrophobicContact CB-CD2 3.8Å; V639-L672 HydrophobicContact CG1-CD2 3.95Å; L641-L672 HydrophobicContact CD2-CD2 3.93Å; L653-L672 HydrophobicContact CD1-CD2 4.08Å; L663-L672 HydrophobicContact CD2-CD1 4.33Å; L663-L672 HydrophobicContact CD2-CD2 4.5Å; F665-L672 HydrophobicContact CD1-CB 4.12Å; F665-L672 HydrophobicContact CD1-CD1 4.07Å; F665-L672 HydrophobicContact CD2-CD1 3.95Å; F665-L672 HydrophobicContact CE1-CB 3.97Å; F665-L672 HydrophobicContact CE1-CD1 4.03Å; F665-L672 HydrophobicContact CE1-CD2 4.48Å; F665-L672 HydrophobicContact CE1-CG 4.39Å; F665-L672 HydrophobicContact CE2-CD1 3.91Å; F665-L672 HydrophobicContact CG-CD1 4.03Å; F665-L672 HydrophobicContact CZ-CD1 3.96Å; F665-L672 HydrophobicContact CZ-CD2 4.33Å; L672-L683 WeakPolarHBondContact O-CA 3.49Å; L672-W684 HydrophobicContact CB-CB 4.28Å; L672-W684 PolarHBondContact N-O 2.75Å; L672-W684 PolarHBondContact O-N 2.79Å
673	G	96.9	Very high	94.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	132	169.3	0	0	0	0	0	111.2	L663 R664 R682 L729	L663-G673 WeakPolarHBondContact CA-O 3.4Å; R664-G673 PolarHBondContact N-O 2.98Å; R664-G673 PolarHBondContact O-N 3.48Å; G673-R682 WeakPolarHBondContact CA-O 3.47Å; G673-L729 WeakPolarHBondContact O-CD1 3.02Å
674	S	97.3	Very high	94.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.6	172.8	59.7	0	0	0	0	111.3	H656 S662 V681 R682 W684	H656-S674 PolarHBondContact CD2-OG 3.2Å; H656-S674 WeakPolarHBondContact NE2-CB 3.29Å; H656-S674 PolarHBondContact NE2-OG 3.23Å; S662-S674 WeakPolarHBondContact O-CA 3.32Å; S674-V681 CarbonylContact O-C 3.26Å; S674-V681 VanDerWaalsContact O-CA 3.28Å; S674-V681 WeakPolarHBondContact O-CA 3.34Å; S674-R682 PolarHBondContact N-O 3.28Å; S674-R682 PolarHBondContact O-N 3.47Å; S674-R682 PolarHBondContact OG-O 2.68Å; S674-W684 PolarHBondContact OG-NE1 3.05Å
675	G	96.1	Very high	94.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.8	177.2	0	0	0	0	0	110	Y661 S662	Y661-G675 PolarHBondContact N-O 3Å; Y661-G675 VanDerWaalsContact N-O 3.09Å; S662-G675 PolarHBondContact N-O 2.95Å; S662-G675 PolarHBondContact O-N 3.42Å
676	S	95.3	Very high	94.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	163.6	-173.3	170.2	0	0	0	0	112.4	H656 E658 C659 D678 N679 T680 V726	H656-S676 WeakPolarHBondContact ND1-CB 3.5Å; E658-S676 PolarHBondContact O-OG 2.9Å; C659-S676 CarbonylContact O-C 3.53Å; C659-S676 VanDerWaalsContact O-CA 3.27Å; C659-S676 WeakPolarHBondContact O-CA 3.49Å; C659-S676 WeakPolarHBondContact O-CB 3.36Å; C659-S676 PolarHBondContact O-OG 3.14Å; S676-D678 VanDerWaalsContact CB-OD1 3.26Å; S676-D678 WeakPolarHBondContact CB-OD1 3.15Å; S676-D678 PolarHBondContact O-N 3.27Å; S676-D678 VanDerWaalsContact OG-CG 3.27Å; S676-D678 PolarHBondContact OG-N 3.31Å; S676-D678 VanDerWaalsContact OG-N 3.11Å; S676-D678 PolarHBondContact OG-OD1 3.21Å; S676-N679 PolarHBondContact O-N 2.85Å; S676-T680 PolarHBondContact N-O 3.05Å; S676-V726 PolarHBondContact O-N 3.44Å
677	M	93.6	Very high	93.8	Very high	83 Å²	83	18.9 Å²	18.9	41%	0.409	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.2	168.1	-166	65.2	-169.9	0	0	112.7	E658 C659 Y661 N679 P725	E658-M677 HydrophobicContact CB-CB 3.93Å; C659-M677 HydrophobicContact CB-CB 4.41Å; C659-M677 PolarHBondContact O-N 3.39Å; Y661-M677 HydrophobicContact CD2-CB 4.29Å; Y661-M677 HydrophobicContact CE2-CB 3.8Å; Y661-M677 HydrophobicContact CE2-CG 4.15Å; Y661-M677 HydrophobicContact CE2-SD 3.72Å; M677-N679 PolarHBondContact O-N 3.37Å; M677-P725 HydrophobicContact CE-CB 4.44Å; M677-P725 HydrophobicContact CE-CG 3.71Å; M677-P725 HydrophobicContact SD-CB 3.55Å; M677-P725 VanDerWaalsContact SD-CB 3.55Å; M677-P725 HydrophobicContact SD-CG 3.47Å; M677-P725 WeakPolarHBondContact SD-CG 3.45Å
678	D	93.4	Very high	93.6	Very high	23 Å²	23	20.8 Å²	20.8	12%	0.123	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	8.8	174.9	70.3	8.4	0	0	0	114.1	H656 T657 E658 S676 T680	H656-D678 WeakPolarHBondContact CA-OD2 3.4Å; H656-D678 IonicContact CE1-OD1 3.66Å; H656-D678 IonicContact CE1-OD2 2.76Å; H656-D678 IonicContact CG-OD2 3.58Å; H656-D678 IonicContact ND1-OD1 3.53Å; H656-D678 PolarHBondContact ND1-OD1 3.42Å; H656-D678 IonicContact ND1-OD2 2.69Å; H656-D678 PolarHBondContact ND1-OD2 3.19Å; T657-D678 PolarHBondContact N-OD2 3.15Å; T657-D678 VanDerWaalsContact OG1-CB 3.3Å; T657-D678 WeakPolarHBondContact OG1-CB 3.36Å; E658-D678 HydrophobicContact CB-CB 4.01Å; E658-D678 HydrophobicContact CG-CB 4.17Å; S676-D678 VanDerWaalsContact CB-OD1 3.26Å; S676-D678 WeakPolarHBondContact CB-OD1 3.15Å; S676-D678 PolarHBondContact O-N 3.27Å; S676-D678 VanDerWaalsContact OG-CG 3.27Å; S676-D678 PolarHBondContact OG-N 3.31Å; S676-D678 VanDerWaalsContact OG-N 3.11Å; S676-D678 PolarHBondContact OG-OD1 3.21Å; D678-T680 VanDerWaalsContact C-N 3.26Å; D678-T680 VanDerWaalsContact CG-OG1 3.25Å; D678-T680 PolarHBondContact O-N 2.75Å; D678-T680 WeakPolarHBondContact OD1-CA 3.5Å; D678-T680 VanDerWaalsContact OD1-CB 3.3Å; D678-T680 WeakPolarHBondContact OD1-CB 3.24Å; D678-T680 PolarHBondContact OD1-N 3.4Å; D678-T680 PolarHBondContact OD1-OG1 2.87Å; D678-T680 PolarHBondContact OD2-OG1 3.06Å
679	N	93.2	Very high	93.5	Very high	43 Å²	43	18.3 Å²	18.3	23%	0.23	10%	0.098	C	C	.	.	S	Bend	trans	62.7	29.5	-177.6	-56.4	-46.8	0	0	0	113	S676 M677 T721 T724 P725	S676-N679 PolarHBondContact O-N 2.85Å; M677-N679 PolarHBondContact O-N 3.37Å; N679-T721 WeakPolarHBondContact CA-OG1 3.49Å; N679-T721 WeakPolarHBondContact CB-OG1 3.48Å; N679-T721 PolarHBondContact O-N 2.74Å; N679-T721 PolarHBondContact O-OG1 2.95Å; N679-T721 VanDerWaalsContact O-OG1 3.08Å; N679-T724 PolarHBondContact OD1-N 2.88Å; N679-P725 VanDerWaalsContact OD1-CD 3.28Å; N679-P725 WeakPolarHBondContact OD1-CD 3.37Å
680	T	94.9	Very high	93.3	Very high	9 Å²	9	18.8 Å²	18.8	6%	0.055	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.1	175.9	75.7	0	0	0	0	113.2	H656 S676 D678 T718 Y719 M720	H656-T680 PolarHBondContact CE1-OG1 3.24Å; H656-T680 PolarHBondContact ND1-OG1 3.47Å; S676-T680 PolarHBondContact N-O 3.05Å; D678-T680 VanDerWaalsContact C-N 3.26Å; D678-T680 VanDerWaalsContact CG-OG1 3.25Å; D678-T680 PolarHBondContact O-N 2.75Å; D678-T680 WeakPolarHBondContact OD1-CA 3.5Å; D678-T680 VanDerWaalsContact OD1-CB 3.3Å; D678-T680 WeakPolarHBondContact OD1-CB 3.24Å; D678-T680 PolarHBondContact OD1-N 3.4Å; D678-T680 PolarHBondContact OD1-OG1 2.87Å; D678-T680 PolarHBondContact OD2-OG1 3.06Å; T680-T718 HydrophobicContact CG2-CG2 4.06Å; T680-Y719 CarbonylContact C-O 3.51Å; T680-Y719 WeakPolarHBondContact CA-O 3.31Å; T680-M720 HydrophobicContact CG2-CG 4.21Å
681	V	96.5	Very high	92.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.8	160.9	-178.6	0	0	0	0	107.8	I407 F409 S674 Y719 V726 L729 L737 A739	I407-V681 HydrophobicContact CD1-CG1 4.13Å; F409-V681 HydrophobicContact CE1-CG2 3.48Å; F409-V681 VanDerWaalsContact CE1-CG2 3.48Å; F409-V681 HydrophobicContact CZ-CB 4.19Å; F409-V681 HydrophobicContact CZ-CG2 3.58Å; S674-V681 CarbonylContact O-C 3.26Å; S674-V681 VanDerWaalsContact O-CA 3.28Å; S674-V681 WeakPolarHBondContact O-CA 3.34Å; V681-Y719 PolarHBondContact N-O 3.25Å; V681-Y719 PolarHBondContact O-N 2.87Å; V681-V726 HydrophobicContact CG2-CB 4.31Å; V681-V726 HydrophobicContact CG2-CG1 4.1Å; V681-V726 HydrophobicContact CG2-CG2 3.71Å; V681-L729 HydrophobicContact CG1-CD1 4.44Å; V681-L729 HydrophobicContact CG1-CD2 4.24Å; V681-L729 HydrophobicContact CG2-CD2 4.21Å; V681-L737 HydrophobicContact CG1-CD2 4.14Å; V681-A739 HydrophobicContact CG2-CB 4.29Å
682	R	96.3	Very high	91.1	Very high	33 Å²	33	29.5 Å²	29.5	13%	0.125	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	142.7	173.7	-65.8	-179.6	179.5	-126.7	0.1	110.5	G655 G673 S674 W684 L715 G717 T718	G655-R682 VanDerWaalsContact CA-NH1 3.29Å; G655-R682 PolarHBondContact O-NH1 3.29Å; G655-R682 PolarHBondContact O-NH2 2.92Å; G673-R682 WeakPolarHBondContact CA-O 3.47Å; S674-R682 PolarHBondContact N-O 3.28Å; S674-R682 PolarHBondContact O-N 3.47Å; S674-R682 PolarHBondContact OG-O 2.68Å; R682-W684 HydrophobicContact CB-CZ2 4.03Å; R682-L715 HydrophobicContact CB-CD1 3.99Å; R682-L715 HydrophobicContact CG-CD1 4.2Å; R682-G717 WeakPolarHBondContact CA-O 3.25Å; R682-T718 HydrophobicContact CG-CG2 3.99Å
683	L	96.8	Very high	89.7	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.5	173.7	-59.6	-175.2	0	0	0	109	P405 I407 I671 L672 L716 G717 Y719 L737	P405-L683 HydrophobicContact CG-CD1 3.59Å; P405-L683 HydrophobicContact CG-CD2 4.34Å; I407-L683 HydrophobicContact CD1-CD1 4.4Å; I671-L683 HydrophobicContact CG2-CB 4.09Å; I671-L683 HydrophobicContact CG2-CD2 4.18Å; L672-L683 WeakPolarHBondContact O-CA 3.49Å; L683-L716 HydrophobicContact CB-CB 4.23Å; L683-L716 WeakPolarHBondContact O-CB 3.35Å; L683-L716 PolarHBondContact O-N 2.69Å; L683-G717 PolarHBondContact N-O 3.47Å; L683-Y719 HydrophobicContact CD1-CE2 3.67Å; L683-Y719 HydrophobicContact CG-CD2 4.4Å; L683-Y719 HydrophobicContact CG-CE2 3.94Å; L683-L737 HydrophobicContact CD2-CD2 3.82Å
684	W	95.7	Very high	87.7	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.7	-178.6	-50.1	91.8	0	0	0	110.2	L653 K654 I671 L672 S674 R682 A686 S711 L714 L715	L653-W684 HydrophobicContact CB-CD2 4.07Å; L653-W684 HydrophobicContact CB-CE3 3.93Å; L653-W684 HydrophobicContact CB-CH2 4.01Å; L653-W684 HydrophobicContact CB-CZ2 4.15Å; L653-W684 HydrophobicContact CB-CZ3 3.89Å; L653-W684 HydrophobicContact CD1-CB 3.92Å; L653-W684 HydrophobicContact CD1-CD2 3.78Å; L653-W684 HydrophobicContact CD1-CE3 4.15Å; L653-W684 HydrophobicContact CD1-CG 3.67Å; L653-W684 HydrophobicContact CD2-CE3 4.09Å; L653-W684 HydrophobicContact CG-CD2 4.35Å; L653-W684 HydrophobicContact CG-CE3 4.28Å; K654-W684 WeakPolarHBondContact O-CH2 3.2Å; I671-W684 WeakPolarHBondContact CA-O 3.3Å; L672-W684 HydrophobicContact CB-CB 4.28Å; L672-W684 PolarHBondContact N-O 2.75Å; L672-W684 PolarHBondContact O-N 2.79Å; S674-W684 PolarHBondContact OG-NE1 3.05Å; R682-W684 HydrophobicContact CB-CZ2 4.03Å; W684-A686 PolarHBondContact O-N 2.77Å; W684-S711 WeakPolarHBondContact CZ3-O 3.49Å; W684-L714 CarbonylContact C-O 3.54Å; W684-L714 VanDerWaalsContact CA-O 3.29Å; W684-L714 WeakPolarHBondContact CA-O 3.47Å; W684-L714 HydrophobicContact CE3-CB 4.4Å; W684-L715 HydrophobicContact CD2-CD1 4.28Å; W684-L715 HydrophobicContact CE3-CB 4.02Å; W684-L715 HydrophobicContact CE3-CD1 4.06Å; W684-L715 HydrophobicContact CH2-CD1 3.98Å; W684-L715 HydrophobicContact CZ2-CD1 4.19Å; W684-L715 HydrophobicContact CZ3-CB 3.77Å; W684-L715 HydrophobicContact CZ3-CD1 3.91Å; W684-L715 HydrophobicContact CZ3-CG 4.37Å
685	D	93.8	Very high	85.9	Confident	11 Å²	11	40.7 Å²	40.7	6%	0.059	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	104.9	172.5	-170.5	-15.9	0	0	0	109.6	P401 T687 K688 A689 L714 L716	P401-D685 WeakPolarHBondContact CG-OD2 3.34Å; D685-T687 WeakPolarHBondContact OD1-CB 3.2Å; D685-T687 PolarHBondContact OD1-N 3.03Å; D685-T687 PolarHBondContact OD1-OG1 3.09Å; D685-K688 HydrophobicContact CB-CB 4.32Å; D685-K688 PolarHBondContact OD1-N 2.75Å; D685-K688 VanDerWaalsContact OD1-N 3.1Å; D685-A689 WeakPolarHBondContact O-CB 3.3Å; D685-A689 PolarHBondContact O-N 3.02Å; D685-L714 PolarHBondContact N-O 3.21Å; D685-L716 HydrophobicContact CB-CD1 4.07Å; D685-L716 HydrophobicContact CB-CD2 3.98Å; D685-L716 HydrophobicContact CB-CG 4Å
686	A	91.2	Very high	84.1	Confident	3 Å²	3	45.6 Å²	45.6	3%	0.025	24%	0.235	C	C	.	.	H	α-helix	trans	-78.7	-27	178.2	0	0	0	0	0	111.5	F665 G669 E670 W684 A689 F690	F665-A686 HydrophobicContact CD1-CB 4.29Å; F665-A686 HydrophobicContact CE1-CB 3.94Å; G669-A686 WeakPolarHBondContact O-CB 3.18Å; E670-A686 WeakPolarHBondContact O-CB 3.44Å; E670-A686 PolarHBondContact O-N 2.87Å; W684-A686 PolarHBondContact O-N 2.77Å; A686-A689 PolarHBondContact O-N 2.8Å; A686-F690 HydrophobicContact CB-CD2 4.22Å; A686-F690 HydrophobicContact CB-CE2 3.9Å; A686-F690 WeakPolarHBondContact O-CB 3.43Å; A686-F690 WeakPolarHBondContact O-CD2 3.5Å; A686-F690 VanDerWaalsContact O-CG 3.29Å; A686-F690 WeakPolarHBondContact O-CG 3.46Å; A686-F690 PolarHBondContact O-N 3.18Å; A686-F690 VanDerWaalsContact O-N 3.16Å
687	T	88.4	Confident	82.3	Confident	51 Å²	51	52.6 Å²	52.6	31%	0.313	27%	0.272	S	S	.	.	H	α-helix	trans	-65.6	-53.1	179	61.1	0	0	0	0	110.7	E670 D685 A689 F690 D691	E670-T687 HydrophobicContact CB-CG2 3.85Å; E670-T687 HydrophobicContact CG-CG2 3.83Å; E670-T687 PolarHBondContact O-N 2.93Å; D685-T687 WeakPolarHBondContact OD1-CB 3.2Å; D685-T687 PolarHBondContact OD1-N 3.03Å; D685-T687 PolarHBondContact OD1-OG1 3.09Å; T687-A689 VanDerWaalsContact C-N 3.28Å; T687-A689 PolarHBondContact O-N 3.27Å; T687-F690 CarbonylContact O-C 3.5Å; T687-F690 PolarHBondContact O-N 3.14Å; T687-D691 WeakPolarHBondContact O-CB 3.32Å; T687-D691 PolarHBondContact O-N 2.85Å
688	K	87.1	Confident	80.5	Confident	75 Å²	75	55.5 Å²	55.5	33%	0.326	28%	0.283	S	S	.	.	H	α-helix	trans	-63.6	-34.6	177	-171.8	176.2	174.1	-171.2	0	112.3	D685 F690 E713 L714	D685-K688 HydrophobicContact CB-CB 4.32Å; D685-K688 PolarHBondContact OD1-N 2.75Å; D685-K688 VanDerWaalsContact OD1-N 3.1Å; K688-F690 PolarHBondContact O-N 3.22Å; K688-E713 IonicContact NZ-OE2 2.83Å; K688-E713 PolarHBondContact NZ-OE2 3.37Å; K688-L714 HydrophobicContact CB-CD2 3.81Å; K688-L714 HydrophobicContact CD-CD2 4.12Å; K688-L714 HydrophobicContact CG-CD2 3.85Å
689	A	85.6	Confident	79.2	Confident	13 Å²	13	55.9 Å²	55.9	11%	0.107	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-24	175.4	0	0	0	0	0	113.2	L641 D685 A686 T687 L714	L641-A689 HydrophobicContact CD1-CB 3.73Å; D685-A689 WeakPolarHBondContact O-CB 3.3Å; D685-A689 PolarHBondContact O-N 3.02Å; A686-A689 PolarHBondContact O-N 2.8Å; T687-A689 VanDerWaalsContact C-N 3.28Å; T687-A689 PolarHBondContact O-N 3.27Å; A689-L714 HydrophobicContact CB-CD1 3.96Å; A689-L714 HydrophobicContact CB-CD2 4.02Å
690	F	84.3	Confident	77.7	Confident	26 Å²	26	55.6 Å²	55.6	11%	0.114	29%	0.29	C	S	.	.	H	α-helix	trans	-111.6	-12.4	-176.6	-59.4	-45.2	0	0	0	115.1	F629 L641 V650 F665 A686 T687 K688 L693	F629-F690 HydrophobicContact CB-CE1 3.97Å; F629-F690 HydrophobicContact CB-CE2 4.22Å; F629-F690 HydrophobicContact CB-CZ 3.71Å; F629-F690 AromaticContact CD1-CD1 3.8Å; F629-F690 HydrophobicContact CD1-CD1 3.8Å; F629-F690 AromaticContact CD1-CE1 3.71Å; F629-F690 HydrophobicContact CD1-CE1 3.71Å; F629-F690 HydrophobicContact CD1-CG 4.44Å; F629-F690 HydrophobicContact CD1-CZ 4.3Å; F629-F690 AromaticContact CD2-CD1 3.94Å; F629-F690 HydrophobicContact CD2-CD1 3.94Å; F629-F690 AromaticContact CD2-CD2 3.68Å; F629-F690 HydrophobicContact CD2-CD2 3.68Å; F629-F690 HydrophobicContact CD2-CE1 4.01Å; F629-F690 AromaticContact CD2-CE2 3.77Å; F629-F690 HydrophobicContact CD2-CE2 3.77Å; F629-F690 AromaticContact CD2-CG 3.8Å; F629-F690 HydrophobicContact CD2-CG 3.8Å; F629-F690 AromaticContact CD2-CZ 3.95Å; F629-F690 HydrophobicContact CD2-CZ 3.95Å; F629-F690 AromaticContact CE1-CD1 3.73Å; F629-F690 HydrophobicContact CE1-CD1 3.73Å; F629-F690 HydrophobicContact CE1-CE1 4.15Å; F629-F690 HydrophobicContact CE1-CG 4.23Å; F629-F690 HydrophobicContact CE2-CB 3.78Å; F629-F690 AromaticContact CE2-CD1 3.87Å; F629-F690 HydrophobicContact CE2-CD1 3.87Å; F629-F690 AromaticContact CE2-CD2 3.77Å; F629-F690 HydrophobicContact CE2-CD2 3.77Å; F629-F690 HydrophobicContact CE2-CE1 4.41Å; F629-F690 HydrophobicContact CE2-CE2 4.34Å; F629-F690 AromaticContact CE2-CG 3.53Å; F629-F690 HydrophobicContact CE2-CG 3.53Å; F629-F690 AromaticContact CG-CD1 3.9Å; F629-F690 HydrophobicContact CG-CD1 3.9Å; F629-F690 HydrophobicContact CG-CD2 4.29Å; F629-F690 AromaticContact CG-CE1 3.63Å; F629-F690 HydrophobicContact CG-CE1 3.63Å; F629-F690 HydrophobicContact CG-CE2 4.07Å; F629-F690 HydrophobicContact CG-CG 4.24Å; F629-F690 AromaticContact CG-CZ 3.75Å; F629-F690 HydrophobicContact CG-CZ 3.75Å; F629-F690 HydrophobicContact CZ-CB 3.82Å; F629-F690 AromaticContact CZ-CD1 3.76Å; F629-F690 HydrophobicContact CZ-CD1 3.76Å; F629-F690 HydrophobicContact CZ-CD2 4.45Å; F629-F690 HydrophobicContact CZ-CE1 4.46Å; F629-F690 AromaticContact CZ-CG 3.76Å; F629-F690 HydrophobicContact CZ-CG 3.76Å; L641-F690 HydrophobicContact CB-CE1 4.09Å; L641-F690 HydrophobicContact CD1-CE1 3.91Å; L641-F690 HydrophobicContact CD1-CZ 4.11Å; L641-F690 HydrophobicContact CD2-CZ 4.3Å; L641-F690 HydrophobicContact CG-CE1 4.44Å; V650-F690 HydrophobicContact CG2-CD1 4.1Å; V650-F690 HydrophobicContact CG2-CE1 3.91Å; F665-F690 HydrophobicContact CE1-CE2 4.03Å; F665-F690 HydrophobicContact CE1-CZ 4.35Å; F665-F690 HydrophobicContact CZ-CE2 4.37Å; F665-F690 HydrophobicContact CZ-CZ 4.28Å; A686-F690 HydrophobicContact CB-CD2 4.22Å; A686-F690 HydrophobicContact CB-CE2 3.9Å; A686-F690 WeakPolarHBondContact O-CB 3.43Å; A686-F690 WeakPolarHBondContact O-CD2 3.5Å; A686-F690 VanDerWaalsContact O-CG 3.29Å; A686-F690 WeakPolarHBondContact O-CG 3.46Å; A686-F690 PolarHBondContact O-N 3.18Å; A686-F690 VanDerWaalsContact O-N 3.16Å; T687-F690 CarbonylContact O-C 3.5Å; T687-F690 PolarHBondContact O-N 3.14Å; K688-F690 PolarHBondContact O-N 3.22Å; F690-L693 HydrophobicContact CB-CD1 4.23Å; F690-L693 HydrophobicContact CD1-CD1 4.12Å; F690-L693 WeakPolarHBondContact O-CD1 3.38Å
691	D	75.4	Confident	76.2	Confident	130 Å²	130	57.9 Å²	57.9	70%	0.695	31%	0.309	S	S	*	.	H	α-helix	trans	-69.6	-36.1	-175.6	-95.3	-5.3	0	0	0	112.9	T687 L693	T687-D691 WeakPolarHBondContact O-CB 3.32Å; T687-D691 PolarHBondContact O-N 2.85Å; D691-L693 PolarHBondContact O-N 3.05Å; D691-L693 VanDerWaalsContact O-N 3.11Å
692	D	63.5	Low	74.8	Confident	115 Å²	115	58.4 Å²	58.4	62%	0.615	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	13.6	-177.7	-70.2	-20.5	0	0	0	113.9	E694	D692-E694 PolarHBondContact O-N 3Å
693	L	67.3	Low	73.6	Confident	34 Å²	34	57.1 Å²	57.1	18%	0.178	31%	0.31	C	S	.	.			trans	-83.4	71.8	-178.6	-91.3	120.3	0	0	0	113.2	F629 V650 F690 D691 T695	F629-L693 HydrophobicContact CE1-CD1 4.26Å; F629-L693 HydrophobicContact CZ-CD1 4.41Å; V650-L693 HydrophobicContact CB-CD1 4Å; V650-L693 HydrophobicContact CB-CD2 3.98Å; V650-L693 HydrophobicContact CB-CG 4.39Å; V650-L693 HydrophobicContact CG1-CD1 4.33Å; V650-L693 HydrophobicContact CG1-CD2 3.45Å; V650-L693 VanDerWaalsContact CG1-CD2 3.45Å; V650-L693 HydrophobicContact CG1-CG 4.38Å; V650-L693 HydrophobicContact CG2-CD1 4.26Å; F690-L693 HydrophobicContact CB-CD1 4.23Å; F690-L693 HydrophobicContact CD1-CD1 4.12Å; F690-L693 WeakPolarHBondContact O-CD1 3.38Å; D691-L693 PolarHBondContact O-N 3.05Å; D691-L693 VanDerWaalsContact O-N 3.11Å; L693-T695 VanDerWaalsContact C-N 3.35Å; L693-T695 HydrophobicContact CD2-CG2 3.98Å; L693-T695 PolarHBondContact O-N 2.77Å
694	E	56.8	Low	72.5	Confident	173 Å²	173	58.6 Å²	58.6	81%	0.808	32%	0.316	S	S	*	.			trans	-83.5	83.5	154.7	-68	-171.4	169.2	0	0	108.6	D692 D696	D692-E694 PolarHBondContact O-N 3Å; E694-D696 PolarHBondContact O-N 2.9Å; E694-D696 VanDerWaalsContact O-N 3.15Å
695	T	58.3	Low	71.7	Confident	30 Å²	30	60.7 Å²	60.7	18%	0.184	33%	0.327	C	S	.	.			trans	-81	90.8	173.2	26.4	0	0	0	0	109.1	H646 L693 I705	H646-T695 PolarHBondContact CE1-OG1 3.39Å; H646-T695 VanDerWaalsContact CE1-OG1 3.24Å; L693-T695 VanDerWaalsContact C-N 3.35Å; L693-T695 HydrophobicContact CD2-CG2 3.98Å; L693-T695 PolarHBondContact O-N 2.77Å; T695-I705 HydrophobicContact CG2-CD1 3.62Å
696	D	58.2	Low	71	Confident	104 Å²	104	66.5 Å²	66.5	56%	0.556	35%	0.354	S	S	*	.			trans	-66.7	149.3	172.8	-73.9	-19	0	0	0	110.9	E694 F698 T699 A700	E694-D696 PolarHBondContact O-N 2.9Å; E694-D696 VanDerWaalsContact O-N 3.15Å; D696-F698 PolarHBondContact O-N 3.2Å; D696-T699 PolarHBondContact N-OG1 3.16Å; D696-T699 PolarHBondContact O-N 2.78Å; D696-T699 PolarHBondContact O-OG1 3.11Å; D696-A700 PolarHBondContact O-N 3.49Å
697	D	56.9	Low	70.4	Confident	147 Å²	147	67.8 Å²	67.8	79%	0.786	36%	0.36	S	S	*	.	H	α-helix	trans	-52	-28.2	176.3	-74.7	-29.7	0	0	0	112.8	A701	D697-A701 WeakPolarHBondContact O-CB 3.43Å; D697-A701 PolarHBondContact O-N 2.92Å
698	F	57.7	Low	69.7	Low	144 Å²	144	70.7 Å²	70.7	63%	0.632	37%	0.37	S	S	*	.	H	α-helix	trans	-65.2	-40.7	174.2	-175.6	-98.9	0	0	0	112.8	D696 A701 T702	D696-F698 PolarHBondContact O-N 3.2Å; F698-A701 WeakPolarHBondContact O-CB 3.34Å; F698-A701 PolarHBondContact O-N 3.5Å; F698-T702 HydrophobicContact CD1-CG2 4.31Å; F698-T702 HydrophobicContact CE1-CG2 3.85Å; F698-T702 HydrophobicContact CE2-CG2 4.34Å; F698-T702 HydrophobicContact CZ-CG2 3.87Å; F698-T702 PolarHBondContact O-N 2.96Å; F698-T702 PolarHBondContact O-OG1 3.23Å
699	T	66	Low	69.3	Low	30 Å²	30	72.9 Å²	72.9	18%	0.184	39%	0.385	C	S	.	.	H	α-helix	trans	-70.1	-35.6	178.1	65.9	0	0	0	0	111.9	D696 A701 T702 G703	D696-T699 PolarHBondContact N-OG1 3.16Å; D696-T699 PolarHBondContact O-N 2.78Å; D696-T699 PolarHBondContact O-OG1 3.11Å; T699-A701 VanDerWaalsContact C-N 3.32Å; T699-T702 PolarHBondContact O-OG1 2.94Å; T699-G703 PolarHBondContact O-N 3.41Å
700	A	60.9	Low	69.2	Low	38 Å²	38	73.1 Å²	73.1	31%	0.314	39%	0.385	S	S	.	.	H	α-helix	trans	-65.9	-35.6	170.4	0	0	0	0	0	111.6	D696	D696-A700 PolarHBondContact O-N 3.49Å
701	A	62.4	Low	69.2	Low	56 Å²	56	72.4 Å²	72.4	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-71.2	-41.3	177.8	0	0	0	0	0	113.1	R311 D697 F698 T699 G703	R311-A701 WeakPolarHBondContact CD-O 2.93Å; R311-A701 PolarHBondContact NH1-O 3.5Å; D697-A701 WeakPolarHBondContact O-CB 3.43Å; D697-A701 PolarHBondContact O-N 2.92Å; F698-A701 WeakPolarHBondContact O-CB 3.34Å; F698-A701 PolarHBondContact O-N 3.5Å; T699-A701 VanDerWaalsContact C-N 3.32Å; A701-G703 VanDerWaalsContact C-N 3.32Å
702	T	68.5	Low	69.7	Low	12 Å²	12	72.8 Å²	72.8	7%	0.074	38%	0.381	C	S	.	.	H	α-helix	trans	-77.7	-18.9	175.6	59	0	0	0	0	112.5	R254 F698 T699 H704	R254-T702 PolarHBondContact NH2-O 3.35Å; F698-T702 HydrophobicContact CD1-CG2 4.31Å; F698-T702 HydrophobicContact CE1-CG2 3.85Å; F698-T702 HydrophobicContact CE2-CG2 4.34Å; F698-T702 HydrophobicContact CZ-CG2 3.87Å; F698-T702 PolarHBondContact O-N 2.96Å; F698-T702 PolarHBondContact O-OG1 3.23Å; T699-T702 PolarHBondContact O-OG1 2.94Å; T702-H704 PolarHBondContact O-N 3.17Å; T702-H704 PolarHBondContact O-ND1 3.2Å; T702-H704 VanDerWaalsContact O-ND1 3.17Å
703	G	69.8	Low	70.9	Confident	6 Å²	6	73.3 Å²	73.3	6%	0.062	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	71	24.5	172	0	0	0	0	0	114.5	R254 L648 T699 A701	R254-G703 PolarHBondContact NH1-O 2.66Å; R254-G703 PolarHBondContact NH2-O 2.94Å; L648-G703 VanDerWaalsContact CD2-C 3.44Å; L648-G703 WeakPolarHBondContact CD2-O 3.33Å; T699-G703 PolarHBondContact O-N 3.41Å; A701-G703 VanDerWaalsContact C-N 3.32Å
704	H	73.9	Confident	72.1	Confident	31 Å²	31	71.8 Å²	71.8	14%	0.144	37%	0.371	C	S	.	.			trans	-156.3	155.5	172.1	64.3	-81.3	0	0	0	110.6	F288 T702	F288-H704 AromaticContact CE2-CE1 3.85Å; T702-H704 PolarHBondContact O-N 3.17Å; T702-H704 PolarHBondContact O-ND1 3.2Å; T702-H704 VanDerWaalsContact O-ND1 3.17Å
705	I	79.5	Confident	73.9	Confident	46 Å²	46	65.1 Å²	65.1	24%	0.236	34%	0.341	C	S	.	.			trans	-122.9	155	179.8	-59.3	164	0	0	0	108.8	L648 T695 L707	L648-I705 HydrophobicContact CB-CD1 4.11Å; L648-I705 HydrophobicContact CD1-CD1 3.7Å; L648-I705 HydrophobicContact CD1-CG1 4.02Å; T695-I705 HydrophobicContact CG2-CD1 3.62Å; I705-L707 PolarHBondContact O-N 2.79Å
706	H	78.5	Confident	75.5	Confident	133 Å²	133	65.7 Å²	65.7	62%	0.616	34%	0.343	S	S	*	.			trans	-74.6	112.5	168.5	-174	72.8	0	0	0	110.5	Q297	Q297-H706 PolarHBondContact NE2-ND1 3.33Å
707	L	79.2	Confident	77.2	Confident	29 Å²	29	61.4 Å²	61.4	15%	0.152	32%	0.323	C	S	.	.			trans	-84.2	122.1	177.4	-61.2	171.6	0	0	0	109.3	A300 M649 I705	A300-L707 HydrophobicContact CB-CD1 4.01Å; M649-L707 HydrophobicContact CE-CD1 3.23Å; M649-L707 HydrophobicContact CG-CD1 4.18Å; M649-L707 HydrophobicContact CG-CD2 4.48Å; M649-L707 HydrophobicContact SD-CD1 4.38Å; I705-L707 PolarHBondContact O-N 2.79Å
708	Q	74.4	Confident	79	Confident	113 Å²	113	57.2 Å²	57.2	53%	0.528	30%	0.303	S	S	.	.			trans	-75	140.9	171.8	-60.4	-177.4	9.2	0	0	109.4	N710	Q708-N710 HydrophobicContact CB-CB 4.44Å; Q708-N710 PolarHBondContact O-N 2.89Å; Q708-N710 PolarHBondContact O-OD1 3.34Å
709	D	78.6	Confident	80.8	Confident	120 Å²	120	54.1 Å²	54.1	64%	0.642	29%	0.288	S	S	*	.			trans	-83.9	70.4	171.5	-162	-3.3	0	0	0	110	K654 S711	K654-D709 IonicContact NZ-OD2 3.37Å; D709-S711 PolarHBondContact OD1-OG 3.49Å
710	N	82.7	Confident	82.1	Confident	19 Å²	19	60 Å²	60	10%	0.102	32%	0.315	C	S	.	.			trans	-102.8	17.8	-177.2	62.1	-1.2	0	0	0	112.6	Q708 Q712 E713 L714	Q708-N710 HydrophobicContact CB-CB 4.44Å; Q708-N710 PolarHBondContact O-N 2.89Å; Q708-N710 PolarHBondContact O-OD1 3.34Å; N710-Q712 VanDerWaalsContact C-N 3.33Å; N710-Q712 PolarHBondContact O-N 3.17Å; N710-E713 WeakPolarHBondContact O-CB 3.37Å; N710-E713 PolarHBondContact O-N 3.07Å; N710-L714 WeakPolarHBondContact O-CG 3.37Å; N710-L714 PolarHBondContact O-N 3.27Å; N710-L714 VanDerWaalsContact OD1-CD1 3.24Å; N710-L714 WeakPolarHBondContact OD1-CD1 3.38Å
711	S	84.2	Confident	83.4	Confident	10 Å²	10	59 Å²	59	7%	0.07	31%	0.305	C	S	.	.	H	α-helix	trans	-53.7	-44.2	-175.1	55.1	0	0	0	0	113.6	W684 D709 E713 L714 L715	W684-S711 WeakPolarHBondContact CZ3-O 3.49Å; D709-S711 PolarHBondContact OD1-OG 3.49Å; S711-E713 VanDerWaalsContact C-N 3.33Å; S711-E713 PolarHBondContact O-N 3.25Å; S711-L714 PolarHBondContact O-N 3Å; S711-L715 PolarHBondContact O-N 2.67Å; S711-L715 VanDerWaalsContact O-N 3.14Å
712	Q	87.1	Confident	84.3	Confident	139 Å²	139	65.6 Å²	65.6	65%	0.65	32%	0.323	S	S	*	.	H	α-helix	trans	-69.7	-28.7	177.7	-65.7	-64.2	-28.3	0	0	113.2	N710	N710-Q712 VanDerWaalsContact C-N 3.33Å; N710-Q712 PolarHBondContact O-N 3.17Å
713	E	88.4	Confident	85	Confident	126 Å²	126	69 Å²	69	59%	0.589	35%	0.347	S	S	*	.	H	α-helix	trans	-79.2	-29.4	178	-57.8	-171.8	-178.5	0	0	112.5	K688 N710 S711	K688-E713 IonicContact NZ-OE2 2.83Å; K688-E713 PolarHBondContact NZ-OE2 3.37Å; N710-E713 WeakPolarHBondContact O-CB 3.37Å; N710-E713 PolarHBondContact O-N 3.07Å; S711-E713 VanDerWaalsContact C-N 3.33Å; S711-E713 PolarHBondContact O-N 3.25Å
714	L	91.3	Very high	85.8	Confident	1 Å²	1	69 Å²	69	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-80.7	-20.3	176.2	-64.5	177.2	0	0	0	112.1	L653 W684 D685 K688 A689 N710 S711 L716	L653-L714 HydrophobicContact CD2-CB 4.16Å; L653-L714 HydrophobicContact CD2-CD1 3.45Å; L653-L714 VanDerWaalsContact CD2-CD1 3.45Å; L653-L714 HydrophobicContact CD2-CG 4.47Å; W684-L714 CarbonylContact C-O 3.54Å; W684-L714 VanDerWaalsContact CA-O 3.29Å; W684-L714 WeakPolarHBondContact CA-O 3.47Å; W684-L714 HydrophobicContact CE3-CB 4.4Å; D685-L714 PolarHBondContact N-O 3.21Å; K688-L714 HydrophobicContact CB-CD2 3.81Å; K688-L714 HydrophobicContact CD-CD2 4.12Å; K688-L714 HydrophobicContact CG-CD2 3.85Å; A689-L714 HydrophobicContact CB-CD1 3.96Å; A689-L714 HydrophobicContact CB-CD2 4.02Å; N710-L714 WeakPolarHBondContact O-CG 3.37Å; N710-L714 PolarHBondContact O-N 3.27Å; N710-L714 VanDerWaalsContact OD1-CD1 3.24Å; N710-L714 WeakPolarHBondContact OD1-CD1 3.38Å; S711-L714 PolarHBondContact O-N 3Å; L714-L716 PolarHBondContact O-N 2.88Å
715	L	94.6	Very high	86.6	Confident	34 Å²	34	68.5 Å²	68.5	18%	0.178	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	111.6	178.1	-177.9	64.2	0	0	0	110.4	R682 W684 S711	R682-L715 HydrophobicContact CB-CD1 3.99Å; R682-L715 HydrophobicContact CG-CD1 4.2Å; W684-L715 HydrophobicContact CD2-CD1 4.28Å; W684-L715 HydrophobicContact CE3-CB 4.02Å; W684-L715 HydrophobicContact CE3-CD1 4.06Å; W684-L715 HydrophobicContact CH2-CD1 3.98Å; W684-L715 HydrophobicContact CZ2-CD1 4.19Å; W684-L715 HydrophobicContact CZ3-CB 3.77Å; W684-L715 HydrophobicContact CZ3-CD1 3.91Å; W684-L715 HydrophobicContact CZ3-CG 4.37Å; S711-L715 PolarHBondContact O-N 2.67Å; S711-L715 VanDerWaalsContact O-N 3.14Å
716	L	93.1	Very high	87.2	Confident	41 Å²	41	66.3 Å²	66.3	22%	0.215	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-34.8	178.2	-64.9	-180	0	0	0	112.5	P401 L404 I671 L683 D685 L714	P401-L716 HydrophobicContact CB-CD2 3.84Å; P401-L716 HydrophobicContact CG-CD2 4.11Å; L404-L716 HydrophobicContact CD2-CB 3.79Å; L404-L716 HydrophobicContact CD2-CD1 3.89Å; L404-L716 HydrophobicContact CD2-CG 4.37Å; I671-L716 HydrophobicContact CD1-CD1 3.77Å; I671-L716 HydrophobicContact CG1-CD1 3.94Å; L683-L716 HydrophobicContact CB-CB 4.23Å; L683-L716 WeakPolarHBondContact O-CB 3.35Å; L683-L716 PolarHBondContact O-N 2.69Å; D685-L716 HydrophobicContact CB-CD1 4.07Å; D685-L716 HydrophobicContact CB-CD2 3.98Å; D685-L716 HydrophobicContact CB-CG 4Å; L714-L716 PolarHBondContact O-N 2.88Å
717	G	93.2	Very high	87.9	Confident	15 Å²	15	61.7 Å²	61.7	16%	0.155	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	151	-178.7	0	0	0	0	0	113.2	R682 L683	R682-G717 WeakPolarHBondContact CA-O 3.25Å; L683-G717 PolarHBondContact N-O 3.47Å
718	T	95.6	Very high	88.7	Confident	58 Å²	58	61.6 Å²	61.6	36%	0.356	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.1	173.3	-58	0	0	0	0	108.9	T680 R682	T680-T718 HydrophobicContact CG2-CG2 4.06Å; R682-T718 HydrophobicContact CG-CG2 3.99Å
719	Y	95.2	Very high	89.7	Confident	79 Å²	79	56.2 Å²	56.2	31%	0.31	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.5	-178	-59.4	-90.3	0	0	0	109	L404 I407 T680 V681 L683	L404-Y719 VanDerWaalsContact CD1-OH 3.32Å; L404-Y719 WeakPolarHBondContact CD1-OH 3.46Å; I407-Y719 HydrophobicContact CD1-CD1 4.22Å; I407-Y719 HydrophobicContact CD1-CD2 3.35Å; I407-Y719 HydrophobicContact CD1-CE2 3.73Å; I407-Y719 HydrophobicContact CD1-CG 3.62Å; T680-Y719 CarbonylContact C-O 3.51Å; T680-Y719 WeakPolarHBondContact CA-O 3.31Å; V681-Y719 PolarHBondContact N-O 3.25Å; V681-Y719 PolarHBondContact O-N 2.87Å; L683-Y719 HydrophobicContact CD1-CE2 3.67Å; L683-Y719 HydrophobicContact CG-CD2 4.4Å; L683-Y719 HydrophobicContact CG-CE2 3.94Å
720	M	92.8	Very high	90.6	Very high	153 Å²	153	50.8 Å²	50.8	75%	0.754	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	140.9	-179.4	-57.8	-173.3	77.7	0	0	110.9	T680	T680-M720 HydrophobicContact CG2-CG 4.21Å
721	T	87.9	Confident	91.2	Very high	17 Å²	17	49.9 Å²	49.9	10%	0.104	26%	0.255	C	S	.	.			trans	-91.5	160.2	167.7	70.1	0	0	0	0	109.9	F409 N679 S723 T724 V726	F409-T721 HydrophobicContact CD1-CG2 3.8Å; F409-T721 HydrophobicContact CE1-CG2 3.34Å; F409-T721 HydrophobicContact CZ-CG2 3.84Å; N679-T721 WeakPolarHBondContact CA-OG1 3.49Å; N679-T721 WeakPolarHBondContact CB-OG1 3.48Å; N679-T721 PolarHBondContact O-N 2.74Å; N679-T721 PolarHBondContact O-OG1 2.95Å; N679-T721 VanDerWaalsContact O-OG1 3.08Å; T721-S723 PolarHBondContact O-N 3.04Å; T721-T724 WeakPolarHBondContact CB-O 3.03Å; T721-T724 WeakPolarHBondContact CB-OG1 3.49Å; T721-T724 PolarHBondContact OG1-N 2.96Å; T721-T724 PolarHBondContact OG1-O 3.49Å; T721-T724 PolarHBondContact OG1-OG1 3.38Å; T721-V726 HydrophobicContact CG2-CG2 3.61Å
722	K	81.8	Confident	91.6	Very high	195 Å²	195	50.2 Å²	50.2	85%	0.848	26%	0.257	S	S	*	.	S	Bend	trans	-78.6	66.4	176.8	-67.4	-175.1	178.1	-178.5	0	110.3	T724	K722-T724 VanDerWaalsContact C-N 3.31Å; K722-T724 PolarHBondContact O-N 3.45Å
723	S	83.4	Confident	91.8	Very high	83 Å²	83	44 Å²	44	58%	0.58	23%	0.228	S	C	*	.	S	Bend	trans	62.4	29.9	-179.4	-49.4	0	0	0	0	114.7	T721	T721-S723 PolarHBondContact O-N 3.04Å
724	T	87.3	Confident	91.9	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.037	22%	0.22	C	C	.	.			trans	-115.2	116.3	176.9	61.5	0	0	0	0	111.1	T411 N679 T721 K722 Y743	T411-T724 HydrophobicContact CG2-CG2 3.99Å; N679-T724 PolarHBondContact OD1-N 2.88Å; T721-T724 WeakPolarHBondContact CB-O 3.03Å; T721-T724 WeakPolarHBondContact CB-OG1 3.49Å; T721-T724 PolarHBondContact OG1-N 2.96Å; T721-T724 PolarHBondContact OG1-O 3.49Å; T721-T724 PolarHBondContact OG1-OG1 3.38Å; K722-T724 VanDerWaalsContact C-N 3.31Å; K722-T724 PolarHBondContact O-N 3.45Å; T724-Y743 HydrophobicContact CG2-CD2 3.65Å; T724-Y743 HydrophobicContact CG2-CG 4.37Å
725	P	90.4	Very high	91.9	Very high	21 Å²	21	43.6 Å²	43.6	14%	0.136	22%	0.221	C	C	.	.			trans	-57.2	142.4	174.2	-28.5	36.9	0	0	0	111.6	M677 N679 G741	M677-P725 HydrophobicContact CE-CB 4.44Å; M677-P725 HydrophobicContact CE-CG 3.71Å; M677-P725 HydrophobicContact SD-CB 3.55Å; M677-P725 VanDerWaalsContact SD-CB 3.55Å; M677-P725 HydrophobicContact SD-CG 3.47Å; M677-P725 WeakPolarHBondContact SD-CG 3.45Å; N679-P725 VanDerWaalsContact OD1-CD 3.28Å; N679-P725 WeakPolarHBondContact OD1-CD 3.37Å; P725-G741 WeakPolarHBondContact O-CA 3.36Å
726	V	92.6	Very high	91.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	23%	0.228	C	C	.	.			trans	-96.5	107.5	179.9	-177.3	0	0	0	0	109	F409 S676 V681 T721 L729 A739	F409-V726 HydrophobicContact CE1-CG2 4.1Å; S676-V726 PolarHBondContact O-N 3.44Å; V681-V726 HydrophobicContact CG2-CB 4.31Å; V681-V726 HydrophobicContact CG2-CG1 4.1Å; V681-V726 HydrophobicContact CG2-CG2 3.71Å; T721-V726 HydrophobicContact CG2-CG2 3.61Å; V726-L729 HydrophobicContact CG1-CD2 3.68Å; V726-L729 HydrophobicContact CG1-CG 4.14Å; V726-A739 HydrophobicContact CG1-CB 4.09Å
727	V	92.1	Very high	91.9	Very high	35 Å²	35	43 Å²	43	21%	0.212	22%	0.217	C	C	.	.			trans	-89.4	-31.8	-174.8	-178.4	0	0	0	0	111.5	S662 A740	S662-V727 WeakPolarHBondContact CB-O 3.47Å; V727-A740 PolarHBondContact N-O 2.77Å
728	H	95.4	Very high	92	Very high	28 Å²	28	42.7 Å²	42.7	13%	0.13	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	143	-178.4	-174.6	-105.8	0	0	0	112.7	V422 D423 A740	V422-H728 HydrophobicContact CB-CB 3.87Å; V422-H728 HydrophobicContact CG1-CB 4.21Å; V422-H728 PolarHBondContact O-CD2 2.76Å; V422-H728 VanDerWaalsContact O-CD2 3.31Å; V422-H728 VanDerWaalsContact O-CG 3.3Å; D423-H728 IonicContact OD1-CE1 3.8Å; D423-H728 IonicContact OD1-NE2 3.74Å; H728-A740 HydrophobicContact CB-CB 4.36Å; H728-A740 PolarHBondContact N-O 3.45Å; H728-A740 PolarHBondContact O-N 3.06Å
729	L	96.8	Very high	92	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.7	176.5	-67.9	179.2	0	0	0	110.5	S662 R664 G673 V681 V726 L737 L738 A739	S662-L729 WeakPolarHBondContact OG-CB 3.49Å; S662-L729 PolarHBondContact OG-N 2.8Å; R664-L729 HydrophobicContact CB-CB 3.97Å; G673-L729 WeakPolarHBondContact O-CD1 3.02Å; V681-L729 HydrophobicContact CG1-CD1 4.44Å; V681-L729 HydrophobicContact CG1-CD2 4.24Å; V681-L729 HydrophobicContact CG2-CD2 4.21Å; V726-L729 HydrophobicContact CG1-CD2 3.68Å; V726-L729 HydrophobicContact CG1-CG 4.14Å; L729-L737 HydrophobicContact CB-CD1 4.27Å; L729-L737 HydrophobicContact CD2-CD1 4.28Å; L729-L738 WeakPolarHBondContact CA-O 3.32Å; L729-A739 HydrophobicContact CD2-CB 3.57Å
730	H	96.3	Very high	91.9	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.028	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	124.1	179.5	179.5	93.5	0	0	0	111.3	V424 T425 S428 R667 L738	V424-H730 HydrophobicContact CB-CB 4.06Å; V424-H730 HydrophobicContact CG2-CB 4.18Å; T425-H730 PolarHBondContact O-CE1 3.25Å; T425-H730 PolarHBondContact O-NE2 3.07Å; S428-H730 PolarHBondContact OG-NE2 3.04Å; R667-H730 PolarHBondContact NH2-CE1 2.79Å; H730-L738 HydrophobicContact CB-CB 4.37Å; H730-L738 PolarHBondContact N-O 3.11Å; H730-L738 PolarHBondContact O-N 3.24Å
731	F	95.5	Very high	91.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.6	168	-80.6	-82.6	0	0	0	110	L399 P405 R664 F665 R667 L736 L737	L399-F731 HydrophobicContact CD1-CE1 4.02Å; P405-F731 HydrophobicContact CB-CE1 3.96Å; P405-F731 HydrophobicContact CG-CE1 4.01Å; P405-F731 HydrophobicContact CG-CZ 4.41Å; R664-F731 HydrophobicContact CB-CD2 4.19Å; R664-F731 HydrophobicContact CB-CE2 4.47Å; R664-F731 HydrophobicContact CG-CD2 3.84Å; R664-F731 WeakPolarHBondContact O-CE2 3.08Å; F665-F731 VanDerWaalsContact O-CD2 3.24Å; F665-F731 WeakPolarHBondContact O-CD2 3.48Å; R667-F731 HydrophobicContact CG-CB 4.34Å; R667-F731 VanDerWaalsContact CZ-O 3.24Å; R667-F731 PolarHBondContact NE-O 2.9Å; R667-F731 PolarHBondContact NH2-O 3.23Å; F731-L736 WeakPolarHBondContact CA-O 3.36Å; F731-L737 HydrophobicContact CD1-CB 4.17Å; F731-L737 HydrophobicContact CD1-CD1 4.19Å; F731-L737 HydrophobicContact CD2-CD1 3.87Å; F731-L737 HydrophobicContact CE1-CB 3.86Å; F731-L737 HydrophobicContact CE1-CD1 4.07Å; F731-L737 HydrophobicContact CE1-CD2 4.49Å; F731-L737 HydrophobicContact CE1-CG 4.36Å; F731-L737 HydrophobicContact CE2-CD1 3.73Å; F731-L737 HydrophobicContact CG-CD1 4.11Å; F731-L737 HydrophobicContact CZ-CB 4.29Å; F731-L737 HydrophobicContact CZ-CD1 3.84Å; F731-L737 HydrophobicContact CZ-CD2 4.1Å; F731-L737 HydrophobicContact CZ-CG 4.31Å
732	T	93.9	Very high	91.7	Very high	17 Å²	17	29.3 Å²	29.3	10%	0.104	15%	0.15	C	C	.	.			trans	-64.3	167.9	171.9	68.9	0	0	0	0	111.2	S428 R667 R734 N735 L736 L738	S428-T732 VanDerWaalsContact OG-CG2 3.3Å; S428-T732 WeakPolarHBondContact OG-CG2 3.43Å; R667-T732 WeakPolarHBondContact CG-O 3.48Å; T732-R734 PolarHBondContact O-N 3.08Å; T732-R734 PolarHBondContact OG1-N 3.3Å; T732-N735 PolarHBondContact O-N 2.78Å; T732-N735 PolarHBondContact OG1-N 2.67Å; T732-L736 HydrophobicContact CG2-CB 3.87Å; T732-L736 HydrophobicContact CG2-CD2 4.31Å; T732-L736 HydrophobicContact CG2-CG 4.43Å; T732-L736 WeakPolarHBondContact CG2-O 3Å; T732-L736 PolarHBondContact N-O 3.13Å; T732-L736 VanDerWaalsContact OG1-CB 3.31Å; T732-L736 WeakPolarHBondContact OG1-CB 3.31Å; T732-L736 PolarHBondContact OG1-N 2.96Å; T732-L736 PolarHBondContact OG1-O 2.98Å; T732-L738 HydrophobicContact CG2-CD1 4Å; T732-L738 HydrophobicContact CG2-CD2 4.2Å; T732-L738 HydrophobicContact CG2-CG 3.9Å
733	R	90.5	Very high	91.7	Very high	9 Å²	9	25.1 Å²	25.1	3%	0.034	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-22.2	175.9	-65.9	176.1	174	-173.9	-5.4	113.8	D385 Y389 E392 R396 D426	D385-R733 IonicContact OD1-CZ 3.21Å; D385-R733 IonicContact OD1-NH1 2.84Å; D385-R733 PolarHBondContact OD1-NH1 3.37Å; D385-R733 IonicContact OD1-NH2 2.86Å; D385-R733 PolarHBondContact OD1-NH2 2.99Å; D385-R733 IonicContact OD2-CZ 2.96Å; D385-R733 IonicContact OD2-NH1 3.48Å; D385-R733 IonicContact OD2-NH2 2.72Å; D385-R733 PolarHBondContact OD2-NH2 2.89Å; Y389-R733 HydrophobicContact CD2-CG 3.86Å; Y389-R733 HydrophobicContact CE2-CG 4.1Å; E392-R733 HydrophobicContact CB-CB 4.24Å; E392-R733 WeakPolarHBondContact OE2-CD 3.34Å; R396-R733 PolarHBondContact NE-O 2.81Å; R396-R733 PolarHBondContact NH2-O 3.22Å; D426-R733 IonicContact OD2-CZ 3.82Å; D426-R733 IonicContact OD2-NE 3.47Å; D426-R733 PolarHBondContact OD2-NE 3.02Å; D426-R733 IonicContact OD2-NH2 3.2Å; D426-R733 PolarHBondContact OD2-NH2 3.1Å
734	R	90	Very high	91.1	Very high	115 Å²	115	27.4 Å²	27.4	43%	0.434	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	15.5	179.8	-56.5	-173.2	-166.8	-177.3	6	114.3	E392 T732 L736	E392-R734 IonicContact OE1-CZ 3.45Å; E392-R734 IonicContact OE1-NE 2.78Å; E392-R734 PolarHBondContact OE1-NE 3.48Å; E392-R734 IonicContact OE1-NH2 3.67Å; E392-R734 PolarHBondContact OE1-NH2 2.88Å; T732-R734 PolarHBondContact O-N 3.08Å; T732-R734 PolarHBondContact OG1-N 3.3Å; R734-L736 VanDerWaalsContact C-N 3.31Å; R734-L736 PolarHBondContact O-N 3.14Å
735	N	90.8	Very high	90	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	18%	0.182	C	C	.	.	S	Bend	trans	67.8	18.5	177.9	-74.1	-19.9	0	0	0	116.2	R396 I397 L399 P405 R667 D668 T732	R396-N735 VanDerWaalsContact CD-ND2 3.34Å; R396-N735 WeakPolarHBondContact CD-ND2 3.39Å; R396-N735 HydrophobicContact CG-CB 4.28Å; R396-N735 WeakPolarHBondContact CG-ND2 3.46Å; I397-N735 PolarHBondContact O-ND2 2.65Å; L399-N735 HydrophobicContact CD1-CB 3.84Å; L399-N735 HydrophobicContact CD2-CB 4.11Å; L399-N735 HydrophobicContact CG-CB 3.88Å; P405-N735 WeakPolarHBondContact CB-O 3.25Å; R667-N735 PolarHBondContact N-OD1 2.65Å; D668-N735 PolarHBondContact OD2-ND2 3.01Å; T732-N735 PolarHBondContact O-N 2.78Å; T732-N735 PolarHBondContact OG1-N 2.67Å
736	L	93.2	Very high	89.9	Confident	61 Å²	61	35.2 Å²	35.2	32%	0.319	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-69.1	133.4	159.3	-175.7	72.1	0	0	0	109.3	S406 F731 T732 R734 L738	S406-L736 WeakPolarHBondContact O-CD1 3.29Å; F731-L736 WeakPolarHBondContact CA-O 3.36Å; T732-L736 HydrophobicContact CG2-CB 3.87Å; T732-L736 HydrophobicContact CG2-CD2 4.31Å; T732-L736 HydrophobicContact CG2-CG 4.43Å; T732-L736 WeakPolarHBondContact CG2-O 3Å; T732-L736 PolarHBondContact N-O 3.13Å; T732-L736 VanDerWaalsContact OG1-CB 3.31Å; T732-L736 WeakPolarHBondContact OG1-CB 3.31Å; T732-L736 PolarHBondContact OG1-N 2.96Å; T732-L736 PolarHBondContact OG1-O 2.98Å; R734-L736 VanDerWaalsContact C-N 3.31Å; R734-L736 PolarHBondContact O-N 3.14Å; L736-L738 HydrophobicContact CD2-CD2 3.78Å; L736-L738 HydrophobicContact CG-CD2 4.04Å
737	L	95.8	Very high	89.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.7	177	-179.6	57.3	0	0	0	109.9	P405 S406 I407 C408 V681 L683 L729 F731	P405-L737 HydrophobicContact CB-CB 4.37Å; S406-L737 PolarHBondContact O-N 3.06Å; I407-L737 CarbonylContact C-O 3.58Å; I407-L737 WeakPolarHBondContact CA-O 3.46Å; I407-L737 HydrophobicContact CD1-CD2 4.08Å; I407-L737 HydrophobicContact CG1-CB 4.32Å; I407-L737 HydrophobicContact CG1-CD2 4.04Å; I407-L737 HydrophobicContact CG2-CD2 4.32Å; I407-L737 HydrophobicContact CG2-CG 4.31Å; C408-L737 PolarHBondContact N-O 2.92Å; V681-L737 HydrophobicContact CG1-CD2 4.14Å; L683-L737 HydrophobicContact CD2-CD2 3.82Å; L729-L737 HydrophobicContact CB-CD1 4.27Å; L729-L737 HydrophobicContact CD2-CD1 4.28Å; F731-L737 HydrophobicContact CD1-CB 4.17Å; F731-L737 HydrophobicContact CD1-CD1 4.19Å; F731-L737 HydrophobicContact CD2-CD1 3.87Å; F731-L737 HydrophobicContact CE1-CB 3.86Å; F731-L737 HydrophobicContact CE1-CD1 4.07Å; F731-L737 HydrophobicContact CE1-CD2 4.49Å; F731-L737 HydrophobicContact CE1-CG 4.36Å; F731-L737 HydrophobicContact CE2-CD1 3.73Å; F731-L737 HydrophobicContact CG-CD1 4.11Å; F731-L737 HydrophobicContact CZ-CB 4.29Å; F731-L737 HydrophobicContact CZ-CD1 3.84Å; F731-L737 HydrophobicContact CZ-CD2 4.1Å; F731-L737 HydrophobicContact CZ-CG 4.31Å
738	L	95.6	Very high	89.7	Confident	9 Å²	9	37.1 Å²	37.1	5%	0.047	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.2	171.7	-49.6	-174.4	0	0	0	108.5	C408 Y410 V424 L729 H730 T732 L736	C408-L738 HydrophobicContact CB-CD2 3.8Å; C408-L738 WeakPolarHBondContact O-CA 3.38Å; Y410-L738 HydrophobicContact CD2-CB 4.44Å; Y410-L738 HydrophobicContact CE2-CB 4.41Å; Y410-L738 HydrophobicContact CE2-CD1 4.21Å; Y410-L738 HydrophobicContact CE2-CD2 3.95Å; Y410-L738 HydrophobicContact CE2-CG 4.41Å; V424-L738 HydrophobicContact CG1-CD1 4.31Å; L729-L738 WeakPolarHBondContact CA-O 3.32Å; H730-L738 HydrophobicContact CB-CB 4.37Å; H730-L738 PolarHBondContact N-O 3.11Å; H730-L738 PolarHBondContact O-N 3.24Å; T732-L738 HydrophobicContact CG2-CD1 4Å; T732-L738 HydrophobicContact CG2-CD2 4.2Å; T732-L738 HydrophobicContact CG2-CG 3.9Å; L736-L738 HydrophobicContact CD2-CD2 3.78Å; L736-L738 HydrophobicContact CG-CD2 4.04Å
739	A	95.1	Very high	89.3	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.7	175.8	0	0	0	0	0	109.1	I407 C408 F409 Y410 V681 V726 L729	I407-A739 HydrophobicContact CG2-CB 4.17Å; C408-A739 PolarHBondContact O-N 2.95Å; F409-A739 CarbonylContact C-O 3.4Å; F409-A739 WeakPolarHBondContact CA-O 3.19Å; F409-A739 HydrophobicContact CD1-CB 3.4Å; F409-A739 VanDerWaalsContact CD1-CB 3.4Å; F409-A739 HydrophobicContact CE1-CB 3.38Å; F409-A739 HydrophobicContact CG-CB 4.28Å; F409-A739 HydrophobicContact CZ-CB 4.26Å; Y410-A739 PolarHBondContact N-O 3.44Å; V681-A739 HydrophobicContact CG2-CB 4.29Å; V726-A739 HydrophobicContact CG1-CB 4.09Å; L729-A739 HydrophobicContact CD2-CB 3.57Å
740	A	92.9	Very high	88.9	Confident	5 Å²	5	39.9 Å²	39.9	4%	0.041	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.2	-177.7	0	0	0	0	0	111	Y410 F412 V422 V727 H728	Y410-A740 WeakPolarHBondContact O-CA 3.34Å; F412-A740 HydrophobicContact CE2-CB 4.18Å; V422-A740 HydrophobicContact CB-CB 4.36Å; V422-A740 HydrophobicContact CG1-CB 3.77Å; V422-A740 HydrophobicContact CG2-CB 4.41Å; V727-A740 PolarHBondContact N-O 2.77Å; H728-A740 HydrophobicContact CB-CB 4.36Å; H728-A740 PolarHBondContact N-O 3.45Å; H728-A740 PolarHBondContact O-N 3.06Å
741	G	89.7	Confident	88.4	Confident	3 Å²	3	42.2 Å²	42.2	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	155.7	-178.9	0	0	0	0	0	112.9	Y410 F412 P725	Y410-G741 PolarHBondContact O-N 3.4Å; Y410-G741 VanDerWaalsContact O-N 3.1Å; F412-G741 PolarHBondContact N-O 3.15Å; P725-G741 WeakPolarHBondContact O-CA 3.36Å
742	A	85.9	Confident	87.9	Confident	17 Å²	17	45.2 Å²	45.2	14%	0.14	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	135.8	172.8	0	0	0	0	0	109.5	A415 L419	A415-A742 HydrophobicContact CB-CB 4.15Å; L419-A742 HydrophobicContact CB-CB 3.82Å; L419-A742 HydrophobicContact CD2-CB 3.95Å
743	Y	81.7	Confident	87.4	Confident	108 Å²	108	47.4 Å²	47.4	42%	0.424	25%	0.246	S	C	.	.			trans	-81.5	117.3	166	-178	-108.9	0	0	0	109.4	T724 P745	T724-Y743 HydrophobicContact CG2-CD2 3.65Å; T724-Y743 HydrophobicContact CG2-CG 4.37Å; Y743-P745 HydrophobicContact CE1-CB 3.86Å; Y743-P745 HydrophobicContact CE1-CG 4.47Å
744	N	71.8	Confident	87.1	Confident	130 Å²	130	50.6 Å²	50.6	70%	0.695	26%	0.264	S	S	*	.			trans	-117.8	109.9	171.6	-153.5	8.7	0	0	0	107.4
745	P	63.3	Low	86.9	Confident	155 Å²	155	44.7 Å²	44.7	100%	1.006	25%	0.248	S	C	*	.			trans	-68.6	0	-171.5	26.8	-34.2	0	0	0	114.8	Y743	Y743-P745 HydrophobicContact CE1-CB 3.86Å; Y743-P745 HydrophobicContact CE1-CG 4.47Å

Retrieved 745 of 745 residues in 604.4 ms (Link to these results)

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