A0A096NGW6_PAPAN Loading...

RNA methyltransferase

AlphaFold DB , UniProt , Accession A0A096NGW6, Species PAPAN (Papio anubis, Olive baboon), Gene MEPCE, Length 689 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.8	Very low	36.8	Very low	241 Å²	241	166.7 Å²	166.7	100%	1.187	86%	0.862	S	S	*	*				0	137.3	0	-66.7	168.9	179.5	0	0	108.5
2	I	32.4	Very low	36.9	Very low	163 Å²	163	166.6 Å²	166.6	84%	0.836	86%	0.862	S	S	*	*			trans	150.9	94.4	163.9	-83	159.5	0	0	0	103.3
3	E	36.9	Very low	37.7	Very low	193 Å²	193	163.5 Å²	163.5	90%	0.902	86%	0.855	S	S	*	*			trans	-80	150	166.4	-66.8	174.5	104.3	0	0	108.6
4	M	35.8	Very low	38.1	Very low	173 Å²	173	160.1 Å²	160.1	85%	0.852	85%	0.847	S	S	*	*			trans	-128.4	112.5	164.3	-78.4	-114.6	62.7	0	0	106.9
5	A	34.6	Very low	38.6	Very low	94 Å²	94	155.5 Å²	155.5	78%	0.777	84%	0.842	S	S	*	*			trans	-65.5	145.8	-175.9	0	0	0	0	0	111.7
6	A	36.1	Very low	39.4	Very low	92 Å²	92	153.1 Å²	153.1	76%	0.76	84%	0.836	S	S	*	*			trans	-97.6	98.8	170.7	0	0	0	0	0	109.4	K8	A6-K8 PolarHBondContact O-N 3.47Å
7	E	36.6	Very low	40.1	Very low	190 Å²	190	151 Å²	151	89%	0.888	83%	0.832	S	S	*	*			trans	-65.4	128.7	172.3	-65.7	177.9	147.6	0	0	109.8
8	K	36.3	Very low	40.8	Very low	197 Å²	197	149.1 Å²	149.1	86%	0.857	83%	0.828	S	S	*	*			trans	-104.5	101.5	179.5	-71.1	-177.1	179.9	177.6	0	110.1	A6 P10	A6-K8 PolarHBondContact O-N 3.47Å; K8-P10 WeakPolarHBondContact O-CD 3.47Å
9	E	39.4	Very low	41.2	Very low	178 Å²	178	147.6 Å²	147.6	83%	0.832	83%	0.826	S	S	*	*			trans	-67.3	122	165.9	-79.6	-71.4	173.4	0	0	110.5
10	P	39.4	Very low	41.4	Very low	104 Å²	104	149.1 Å²	149.1	68%	0.675	83%	0.831	S	S	*	*			trans	-80.4	126.6	178	31.4	-32.3	0	0	0	111.6	K8 L12	K8-P10 WeakPolarHBondContact O-CD 3.47Å; P10-L12 PolarHBondContact O-N 3.15Å; P10-L12 VanDerWaalsContact O-N 3.15Å
11	F	34.2	Very low	41.3	Very low	209 Å²	209	151.1 Å²	151.1	92%	0.917	83%	0.831	S	S	*	*			trans	-68.4	109.5	174.1	-108.6	-103.5	0	0	0	111.1
12	L	38.6	Very low	41.2	Very low	165 Å²	165	147.5 Å²	147.5	86%	0.864	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-79	117.9	168.7	-88.1	162.7	0	0	0	110.4	P10	P10-L12 PolarHBondContact O-N 3.15Å; P10-L12 VanDerWaalsContact O-N 3.15Å
13	V	47.6	Very low	41.6	Very low	126 Å²	126	149 Å²	149	76%	0.764	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-84.5	129.1	172.9	-178.3	0	0	0	0	109
14	P	42.1	Very low	41.8	Very low	116 Å²	116	145.5 Å²	145.5	75%	0.753	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-70	139.7	175.6	28.8	-33.9	0	0	0	111.3
15	A	45.6	Very low	41.7	Very low	92 Å²	92	141.3 Å²	141.3	76%	0.76	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-73.7	150.4	178.3	0	0	0	0	0	112.2
16	P	51.6	Low	41.6	Very low	117 Å²	117	140.7 Å²	140.7	76%	0.76	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-68.3	155.3	175.2	29.7	-35.6	0	0	0	112.2
17	P	51.5	Low	41.3	Very low	117 Å²	117	140.5 Å²	140.5	76%	0.76	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-69.6	152.3	177.9	30	-35.4	0	0	0	112.2
18	P	53.5	Low	41.1	Very low	116 Å²	116	135.2 Å²	135.2	75%	0.753	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-71.9	156.3	174.6	31.9	-35.7	0	0	0	111.8
19	P	47.3	Very low	40.9	Very low	122 Å²	122	129.3 Å²	129.3	79%	0.792	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-66.3	147.2	174.9	29	-35.1	0	0	0	111.7
20	L	45.6	Very low	41	Very low	176 Å²	176	127.3 Å²	127.3	92%	0.921	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-66.9	152.1	170	-68.9	167.3	0	0	0	110.3
21	K	39.1	Very low	40.9	Very low	193 Å²	193	128.7 Å²	128.7	84%	0.839	83%	0.828	S	S	*	*			trans	-104.8	139.1	170.3	-69.2	-178.4	173.9	-174.8	0	109.1
22	D	41.9	Very low	40.9	Very low	164 Å²	164	125.5 Å²	125.5	88%	0.877	83%	0.825	S	S	*	*			trans	-70.4	129.3	163.1	-56.4	-64.8	0	0	0	109.6
23	E	40.9	Very low	41.1	Very low	196 Å²	196	122.2 Å²	122.2	92%	0.916	81%	0.814	S	S	*	*			trans	-101.4	140	161.3	-68.1	-148.5	114	0	0	109.2
24	S	40.1	Very low	40.8	Very low	119 Å²	119	122.1 Å²	122.1	83%	0.832	82%	0.816	S	S	*	*			trans	-137	140.5	-176.5	55.4	0	0	0	0	111.4
25	G	34.3	Very low	40.2	Very low	84 Å²	84	125.2 Å²	125.2	87%	0.866	82%	0.82	S	S	*	*			trans	100.8	136.4	-178.4	0	0	0	0	0	113.7
26	G	32.9	Very low	39.8	Very low	82 Å²	82	129.3 Å²	129.3	85%	0.845	82%	0.823	S	S	*	*			cis	169.9	161.6	-6.7	0	0	0	0	0	113.7
27	G	29.8	Very low	38.9	Very low	88 Å²	88	132.5 Å²	132.5	91%	0.907	83%	0.828	S	S	*	*			trans	96	133.8	178.6	0	0	0	0	0	113.5
28	G	30.9	Very low	37.9	Very low	78 Å²	78	131.1 Å²	131.1	80%	0.804	83%	0.826	S	S	*	*			cis	-155.7	170.1	-3.3	0	0	0	0	0	111.6
29	G	33.6	Very low	37.1	Very low	73 Å²	73	130.3 Å²	130.3	75%	0.753	83%	0.829	S	S	*	*			trans	-77	-162	-174.6	0	0	0	0	0	115.2
30	P	41.5	Very low	36.5	Very low	136 Å²	136	130.3 Å²	130.3	88%	0.883	83%	0.832	S	S	*	*			cis	-110.5	173.9	32.8	39.4	-35.1	0	0	0	116.1
31	T	36.5	Very low	35.9	Very low	133 Å²	133	125.3 Å²	125.3	82%	0.816	82%	0.823	S	S	*	*			trans	-119.6	158.4	-179.1	45.2	0	0	0	0	111.2
32	V	34.3	Very low	35.8	Very low	143 Å²	143	124.4 Å²	124.4	87%	0.867	82%	0.822	S	S	*	*			trans	-177.9	150.3	148.7	137.3	0	0	0	0	108.2
33	P	43.3	Very low	35.5	Very low	96 Å²	96	123.8 Å²	123.8	62%	0.623	82%	0.818	S	S	*	*			trans	-121.3	-178.7	-139.6	43.3	-33.9	0	0	0	115.5
34	P	39.6	Very low	35.2	Very low	124 Å²	124	120.7 Å²	120.7	81%	0.805	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-91.7	144.1	152.7	35.1	-29.7	0	0	0	111.9
35	H	30.9	Very low	34.7	Very low	181 Å²	181	118.6 Å²	118.6	84%	0.838	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-94.9	161.9	172.5	-112.1	-110.8	0	0	0	112
36	Q	36.2	Very low	34.6	Very low	178 Å²	178	118 Å²	118	83%	0.832	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-85.2	153.6	163.4	-63.6	175.2	-36.9	0	0	110.7
37	E	32.6	Very low	34.7	Very low	184 Å²	184	120.6 Å²	120.6	86%	0.86	81%	0.807	S	S	*	*				-167.2	130.5	126.5	-104.6	-173.1	115.5	0	0	108.7
38	A	31.9	Very low	34.9	Very low	87 Å²	87	122.9 Å²	122.9	72%	0.719	79%	0.794	S	S	*	*				81.2	152.8	96.2	0	0	0	0	0	114.6
39	A	35.3	Very low	35.1	Very low	99 Å²	99	129.5 Å²	129.5	82%	0.818	80%	0.795	S	S	*	*			cis	154	124.9	-34.1	0	0	0	0	0	109.6
40	S	34.3	Very low	35.1	Very low	123 Å²	123	129.4 Å²	129.4	86%	0.86	79%	0.794	S	S	*	*			trans	-163	143.4	168.3	48.4	0	0	0	0	106.6
41	G	34.4	Very low	35.7	Very low	71 Å²	71	129.6 Å²	129.6	73%	0.732	80%	0.795	S	S	*	*			cis	104.3	121.4	27.3	0	0	0	0	0	107.8
42	E	35.9	Very low	35.5	Very low	174 Å²	174	126.7 Å²	126.7	81%	0.813	79%	0.792	S	S	*	*			cis	-144.5	154.4	18.2	-64.6	179.3	77.3	0	0	111.4
43	L	36.9	Very low	36.7	Very low	151 Å²	151	126.1 Å²	126.1	79%	0.791	79%	0.791	S	S	*	*				51.7	143.2	104.3	-49.7	170.4	0	0	0	116.6
44	C	33.3	Very low	36.2	Very low	131 Å²	131	128 Å²	128	89%	0.885	81%	0.805	S	S	*	*			cis	-131.7	-179.7	6.9	-66	0	0	0	0	110.2
45	G	31	Very low	36	Very low	74 Å²	74	126.2 Å²	126.2	76%	0.763	80%	0.801	S	S	*	*			cis	-177.3	-170.6	5.8	0	0	0	0	0	111.3
46	G	31.9	Very low	37	Very low	72 Å²	72	123.8 Å²	123.8	74%	0.742	80%	0.801	S	S	*	*			trans	-79.8	-172.6	-178.1	0	0	0	0	0	116
47	T	34	Very low	36.8	Very low	137 Å²	137	121.1 Å²	121.1	84%	0.84	80%	0.802	S	S	*	*			cis	-167.1	157.9	8	-8.4	0	0	0	0	113
48	E	34.4	Very low	37.1	Very low	136 Å²	136	117.6 Å²	117.6	64%	0.636	81%	0.805	S	S	*	*			trans	60.5	127.6	150.4	-62.4	-140.5	112.3	0	0	125.1
49	R	34.4	Very low	37.1	Very low	216 Å²	216	117.2 Å²	117.2	82%	0.815	81%	0.809	S	S	*	*			trans	63.2	135.5	139.4	-60.4	175.7	-156.5	-119.9	-2.7	122.4
50	G	35	Very low	37.1	Very low	72 Å²	72	118.2 Å²	118.2	74%	0.742	81%	0.81	S	S	*	*			trans	-97.8	-147.3	159.5	0	0	0	0	0	111.8
51	P	54.2	Low	38.3	Very low	139 Å²	139	118.3 Å²	118.3	90%	0.903	81%	0.807	S	S	*	*			cis	-134.2	-174.3	4.5	43.9	-27.7	0	0	0	114.6
52	G	32.3	Very low	38.4	Very low	72 Å²	72	119.6 Å²	119.6	74%	0.742	81%	0.811	S	S	*	*			trans	130.3	157.3	152.3	0	0	0	0	0	117
53	P	59.5	Low	38.6	Very low	131 Å²	131	116.1 Å²	116.1	85%	0.851	81%	0.812	S	S	*	*			trans	-124	160	-164.8	41.3	-27.9	0	0	0	116.3
54	C	31.2	Very low	38.4	Very low	136 Å²	136	112.4 Å²	112.4	92%	0.919	81%	0.81	S	S	*	*			trans	-164.5	172.3	145.9	-128.1	0	0	0	0	112
55	A	36.6	Very low	38.6	Very low	86 Å²	86	113.3 Å²	113.3	71%	0.711	81%	0.812	S	S	*	*			trans	-137.9	-164.6	-179.1	0	0	0	0	0	109.8
56	P	52.6	Low	38.8	Very low	131 Å²	131	112.8 Å²	112.8	85%	0.851	81%	0.806	S	S	*	*				-114.3	-179.7	-63.3	36.5	-25.3	0	0	0	111.9
57	S	31.9	Very low	39.1	Very low	122 Å²	122	119.4 Å²	119.4	85%	0.853	81%	0.809	S	S	*	*			trans	-134.2	142.4	172.1	59.5	0	0	0	0	112.7
58	A	38.9	Very low	39.1	Very low	110 Å²	110	119.9 Å²	119.9	91%	0.909	80%	0.802	S	S	*	*			trans	-120	163.4	177.5	0	0	0	0	0	111.7
59	G	30.5	Very low	39.3	Very low	79 Å²	79	118.6 Å²	118.6	81%	0.814	81%	0.808	S	S	*	*			trans	-178.4	110.9	174.1	0	0	0	0	0	115.3
60	S	36.6	Very low	40.5	Very low	120 Å²	120	114.6 Å²	114.6	84%	0.839	81%	0.81	S	S	*	*			trans	-115.2	170.9	158.7	-52.7	0	0	0	0	108.4
61	P	59.1	Low	40.3	Very low	124 Å²	124	115 Å²	115	81%	0.805	81%	0.813	S	S	*	*				-157.2	172.9	105.7	39.9	-21.8	0	0	0	118.2
62	A	37.1	Very low	39.5	Very low	98 Å²	98	113.5 Å²	113.5	81%	0.81	81%	0.813	S	S	*	*			trans	79.1	146.7	143.7	0	0	0	0	0	121.7
63	A	39.3	Very low	39.7	Very low	101 Å²	101	114.5 Å²	114.5	84%	0.835	81%	0.814	S	S	*	*			cis	-169.7	154.2	-20.6	0	0	0	0	0	114
64	G	33.2	Very low	38.4	Very low	73 Å²	73	113.1 Å²	113.1	75%	0.753	81%	0.813	S	S	*	*			trans	87.2	154.5	154.7	0	0	0	0	0	118
65	V	37.7	Very low	38.8	Very low	150 Å²	150	112.9 Å²	112.9	91%	0.909	81%	0.808	S	S	*	*			cis	-158.9	153	-8.6	-175.9	0	0	0	0	106.3
66	G	34.6	Very low	40.2	Very low	63 Å²	63	114.4 Å²	114.4	65%	0.649	81%	0.811	S	S	*	*			cis	148.7	160.3	-5	0	0	0	0	0	112.1
67	R	38.8	Very low	40.6	Very low	212 Å²	212	114 Å²	114	80%	0.8	81%	0.808	S	S	*	*			trans	72.4	148.6	174.5	-70.2	173.1	163.4	-106.4	-6.5	117.4
68	E	33.1	Very low	40.5	Very low	147 Å²	147	112.1 Å²	112.1	69%	0.687	81%	0.808	S	S	*	*			cis	-149.2	173.5	-3.5	-132.1	153.6	155.4	0	0	114.6
69	S	38.4	Very low	40.2	Very low	109 Å²	109	110.4 Å²	110.4	76%	0.762	80%	0.801	S	S	*	*			trans	-105.1	-157.1	-167.7	-41.7	0	0	0	0	112.6
70	P	58.9	Low	41.3	Very low	132 Å²	132	111.9 Å²	111.9	86%	0.857	80%	0.796	S	S	*	*			cis	-136.1	-174.8	-17.7	38.3	-18.7	0	0	0	115.3
71	G	30.8	Very low	41.3	Very low	79 Å²	79	115.1 Å²	115.1	81%	0.814	80%	0.798	S	S	*	*			trans	178	145.4	164.7	0	0	0	0	0	115.6
72	A	37.5	Very low	40.2	Very low	108 Å²	108	113.1 Å²	113.1	89%	0.893	79%	0.792	S	S	*	*			trans	-161.1	-179.1	-178.2	0	0	0	0	0	110.5
73	A	36.4	Very low	40.2	Very low	94 Å²	94	116 Å²	116	78%	0.777	79%	0.789	S	S	*	*			cis	-161.4	-178.1	8.9	0	0	0	0	0	112.8
74	A	34.1	Very low	40.2	Very low	101 Å²	101	117.5 Å²	117.5	84%	0.835	78%	0.778	S	S	*	*			trans	82.2	158.1	149.2	0	0	0	0	0	122.8
75	T	38.1	Very low	40.2	Very low	132 Å²	132	120.6 Å²	120.6	81%	0.81	77%	0.773	S	S	*	*			trans	-131.8	-176.5	176.8	46.3	0	0	0	0	108.3
76	P	66.2	Low	40	Very low	117 Å²	117	124.7 Å²	124.7	76%	0.76	77%	0.772	S	S	*	*			cis	-116	-120.2	-13.3	32.7	-10.1	0	0	0	108.9
77	P	61.3	Low	39.8	Very low	123 Å²	123	125.7 Å²	125.7	80%	0.799	78%	0.782	S	S	*	*			cis	-126.4	-177.5	-44.3	36.7	-19.3	0	0	0	114.7
78	G	30.4	Very low	39.3	Very low	83 Å²	83	119.6 Å²	119.6	86%	0.856	79%	0.786	S	S	*	*			trans	151.6	135.7	154.5	0	0	0	0	0	118.2
79	G	31.7	Very low	39.3	Very low	73 Å²	73	116.3 Å²	116.3	75%	0.753	79%	0.791	S	S	*	*			trans	-123.1	-176.7	161.8	0	0	0	0	0	110.1
80	P	54.3	Low	40	Very low	111 Å²	111	116.7 Å²	116.7	72%	0.721	79%	0.791	S	S	*	*				-160.1	-175.9	67.7	43.9	-23.2	0	0	0	118.2
81	Q	37	Very low	39	Very low	187 Å²	187	119.4 Å²	119.4	87%	0.874	79%	0.792	S	S	*	*			trans	64.5	160.9	153.4	-77.3	166.8	23.2	0	0	118
82	A	36	Very low	39.1	Very low	83 Å²	83	120.6 Å²	120.6	69%	0.686	79%	0.794	S	S	*	*			cis	-168.8	175	-9.1	0	0	0	0	0	107.6
83	Q	37.2	Very low	39.1	Very low	157 Å²	157	124 Å²	124	73%	0.734	79%	0.792	S	S	*	*			cis	-168.4	163.6	-5.3	-122.4	174.3	0.5	0	0	110.4
84	H	38.1	Very low	39	Very low	134 Å²	134	125.2 Å²	125.2	62%	0.62	80%	0.795	S	S	*	*			trans	58.2	153	150.8	-67.8	-48.6	0	0	0	122.2
85	H	34	Very low	38.9	Very low	137 Å²	137	129.5 Å²	129.5	63%	0.634	80%	0.797	S	S	*	*			cis	-170.2	144	-25	-119.7	4	0	0	0	113.4
86	R	33	Very low	38.6	Very low	237 Å²	237	126.7 Å²	126.7	89%	0.894	79%	0.794	S	S	*	*			trans	56.1	158.2	154.1	-61.3	179.9	174.1	-161.3	-3.9	118
87	G	30.1	Very low	37.1	Very low	83 Å²	83	130.5 Å²	130.5	86%	0.856	80%	0.802	S	S	*	*			cis	-176.8	175.8	-3.3	0	0	0	0	0	107.8
88	G	29.7	Very low	35.8	Very low	85 Å²	85	128.2 Å²	128.2	88%	0.876	79%	0.793	S	S	*	*			cis	-166.4	-146.4	4.7	0	0	0	0	0	111.3
89	G	31.8	Very low	35.9	Very low	78 Å²	78	134.6 Å²	134.6	80%	0.804	79%	0.791	S	S	*	*			trans	-110.5	-159	176.3	0	0	0	0	0	114.1
90	P	54.4	Low	36	Very low	117 Å²	117	137.3 Å²	137.3	76%	0.76	79%	0.788	S	S	*	*			cis	-143.7	171.4	19.5	43.7	-24.8	0	0	0	119.3
91	Q	37.5	Very low	35.1	Very low	188 Å²	188	136.6 Å²	136.6	88%	0.879	79%	0.786	S	S	*	*			trans	22.1	137.1	144.2	-62.9	173.8	-40.3	0	0	124.4
92	A	33.6	Very low	34.9	Very low	104 Å²	104	135.3 Å²	135.3	86%	0.86	79%	0.785	S	S	*	*				-158	167.1	124.6	0	0	0	0	0	110.6
93	Q	35.8	Very low	36.3	Very low	180 Å²	180	136.6 Å²	136.6	84%	0.841	79%	0.786	S	S	*	*			trans	-126.9	157.2	-168	-59.4	165.2	-67.4	0	0	114.3
94	S	34.1	Very low	36.9	Very low	120 Å²	120	135.2 Å²	135.2	84%	0.839	79%	0.791	S	S	*	*			trans	-172.7	168.4	136.5	24.9	0	0	0	0	112.3
95	H	33.7	Very low	36.5	Very low	190 Å²	190	132.3 Å²	132.3	88%	0.88	80%	0.797	S	S	*	*			trans	-95.2	167.3	-168.8	-57	-104.9	0	0	0	112.2
96	G	31.6	Very low	36.5	Very low	73 Å²	73	138 Å²	138	75%	0.753	81%	0.813	S	S	*	*			cis	-177.4	-143.5	7	0	0	0	0	0	115.3
97	E	33.8	Very low	36.4	Very low	197 Å²	197	131.6 Å²	131.6	92%	0.921	81%	0.811	S	S	*	*			trans	-61.5	165.6	-173.4	-75.8	177.9	99.5	0	0	117.2
98	A	33.5	Very low	36.5	Very low	75 Å²	75	132.2 Å²	132.2	62%	0.62	81%	0.808	S	S	*	*			cis	-171.8	169	-14.7	0	0	0	0	0	113.3
99	R	33.1	Very low	38.1	Very low	217 Å²	217	133.8 Å²	133.8	82%	0.819	80%	0.803	S	S	*	*			trans	59.6	124.2	146.4	-79.4	175.3	178.7	-99.7	0.2	123.7
100	L	34.5	Very low	39.3	Very low	131 Å²	131	135.3 Å²	135.3	69%	0.686	80%	0.798	S	S	*	*				76.9	104.3	127.7	-68	171.4	0	0	0	123.5
101	S	34.3	Very low	38.4	Very low	96 Å²	96	136.1 Å²	136.1	67%	0.671	80%	0.796	S	S	*	*				55.3	119.8	123.3	65.8	0	0	0	0	124.3
102	D	33.3	Very low	38.5	Very low	159 Å²	159	133.8 Å²	133.8	85%	0.85	80%	0.795	S	S	*	*			trans	79	156.6	134.7	-80.7	16.8	0	0	0	122.9
103	P	65.2	Low	38.5	Very low	110 Å²	110	132.4 Å²	132.4	71%	0.714	79%	0.791	S	S	*	*			trans	-105.6	174.9	-148.5	41.6	-38	0	0	0	115.8
104	P	50.3	Low	38.6	Very low	128 Å²	128	132.1 Å²	132.1	83%	0.831	79%	0.789	S	S	*	*				-155.4	160.1	114.5	39.4	-22	0	0	0	118.8
105	G	30.2	Very low	38.7	Very low	73 Å²	73	132.4 Å²	132.4	75%	0.753	78%	0.777	S	S	*	*				54.6	115.6	121.7	0	0	0	0	0	125.5
106	R	33.6	Very low	38.8	Very low	256 Å²	256	131.3 Å²	131.3	97%	0.966	77%	0.765	S	S	*	*				52.8	112.6	119.6	-168	-168.8	-164.8	-159.8	6.3	121.3
107	A	31.1	Very low	38.9	Very low	104 Å²	104	138.2 Å²	138.2	86%	0.86	77%	0.769	S	S	*	*			trans	-154.3	172.6	155.9	0	0	0	0	0	112.5
108	A	32.6	Very low	38.7	Very low	95 Å²	95	132.7 Å²	132.7	79%	0.785	77%	0.765	S	S	*	*			trans	-142.7	-137.6	-176.7	0	0	0	0	0	115.1
109	P	62.5	Low	38.6	Very low	118 Å²	118	133.1 Å²	133.1	77%	0.766	78%	0.777	S	S	*	*				-101.6	-169.9	-129.3	45.4	-33.2	0	0	0	114.7
110	P	56.1	Low	38.5	Very low	110 Å²	110	127 Å²	127	71%	0.714	78%	0.781	S	S	*	*				-138	-153.8	81.1	37.4	-17	0	0	0	111.8
111	D	36.4	Very low	38.3	Very low	134 Å²	134	124.1 Å²	124.1	72%	0.717	78%	0.783	S	S	*	*			cis	-161.5	-178.9	4.1	-142.2	-44.6	0	0	0	111.9
112	V	38.7	Very low	38.4	Very low	139 Å²	139	126.3 Å²	126.3	84%	0.842	79%	0.793	S	S	*	*			trans	56.9	146.8	168.8	-59.5	0	0	0	0	119
113	G	34.7	Very low	38.5	Very low	75 Å²	75	126.8 Å²	126.8	77%	0.773	79%	0.79	S	S	*	*			cis	142.8	142.2	5.3	0	0	0	0	0	108.5
114	E	37	Very low	37.2	Very low	174 Å²	174	129 Å²	129	81%	0.813	80%	0.795	S	S	*	*			cis	-165.3	152.4	14.7	-167.8	-179.3	135.8	0	0	110.6
115	E	36.5	Very low	36.6	Very low	126 Å²	126	126 Å²	126	59%	0.589	79%	0.787	S	S	*	*			trans	37.1	160.9	155.6	-72.7	-157.1	137.5	0	0	124.5
116	R	35.8	Very low	37.4	Very low	167 Å²	167	128.6 Å²	128.6	63%	0.63	79%	0.791	S	S	*	*			cis	-159.1	154.3	4.7	-131.3	171.6	-165.4	157.8	32	113.5
117	R	34.9	Very low	37.8	Very low	218 Å²	218	122.6 Å²	122.6	82%	0.823	79%	0.785	S	S	*	*			trans	46.1	128.2	152.7	-69.8	157.8	-168.4	-121.9	0.5	119.5
118	G	29.5	Very low	38.2	Very low	81 Å²	81	122 Å²	122	84%	0.835	78%	0.78	S	S	*	*			cis	96.7	134.4	5.6	0	0	0	0	0	113.8
119	G	30.3	Very low	38.7	Very low	85 Å²	85	123.1 Å²	123.1	88%	0.876	78%	0.779	S	S	*	*			cis	174.9	-179.5	0.9	0	0	0	0	0	113.7
120	G	30.5	Very low	37.9	Very low	88 Å²	88	123.7 Å²	123.7	91%	0.907	78%	0.783	S	S	*	*			trans	113.6	146.4	-175.9	0	0	0	0	0	113.1
121	G	31.6	Very low	36.9	Very low	71 Å²	71	129.9 Å²	129.9	73%	0.732	79%	0.792	S	S	*	*			cis	-172.9	166.6	-4.4	0	0	0	0	0	112.7
122	T	35.9	Very low	37.1	Very low	142 Å²	142	129.6 Å²	129.6	87%	0.871	80%	0.797	S	S	*	*			trans	54.4	91.8	170.5	46.9	0	0	0	0	120.8
123	E	35.3	Very low	36.9	Very low	169 Å²	169	134.6 Å²	134.6	79%	0.79	80%	0.801	S	S	*	*				66.3	153.1	112.8	-127.3	-166.8	171.2	0	0	125
124	L	37.8	Very low	36.8	Very low	156 Å²	156	138.5 Å²	138.5	82%	0.817	80%	0.804	S	S	*	*			trans	75	137.7	165.2	-55.5	-178.4	0	0	0	119.1
125	G	38.5	Very low	36.5	Very low	65 Å²	65	133.8 Å²	133.8	67%	0.67	80%	0.802	S	S	*	*			trans	-105.3	179.4	-168.2	0	0	0	0	0	115.6
126	P	45.5	Very low	36.2	Very low	128 Å²	128	138.6 Å²	138.6	83%	0.831	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-74.8	142.5	-169.5	29.6	-35.6	0	0	0	114
127	P	42.9	Very low	35.8	Very low	130 Å²	130	138.9 Å²	138.9	84%	0.844	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-80.6	157.6	-177.5	32.5	-36.2	0	0	0	114.4
128	A	38.5	Very low	36.3	Very low	91 Å²	91	133 Å²	133	75%	0.752	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-86.4	157.7	-178.3	0	0	0	0	0	113.9
129	P	43.3	Very low	36.4	Very low	119 Å²	119	137.1 Å²	137.1	77%	0.773	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-78.6	145.9	-178.3	31.3	-36	0	0	0	113.8
130	P	46.2	Very low	36.5	Very low	129 Å²	129	144.4 Å²	144.4	84%	0.838	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-79.2	153.6	-180	32.1	-35.5	0	0	0	113.9
131	R	34.8	Very low	37.4	Very low	241 Å²	241	145 Å²	145	91%	0.909	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-100.5	157.3	172.5	-79.2	-175.2	175.8	-171.8	-0.3	111.7
132	P	40.5	Very low	37.9	Very low	127 Å²	127	147.4 Å²	147.4	83%	0.825	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-78.5	164.3	-173.3	32.8	-37.6	0	0	0	114
133	R	34.8	Very low	37.7	Very low	245 Å²	245	144.4 Å²	144.4	93%	0.925	80%	0.801	S	S	*	*			trans	-134.9	135.6	173.6	-171.4	175.8	-176.6	173.5	1.8	110.8
134	N	32.6	Very low	37.4	Very low	157 Å²	157	140.4 Å²	140.4	84%	0.84	81%	0.805	S	S	*	*			trans	-78.6	155.7	-179.5	-66.7	-13.1	0	0	0	112.8
135	G	31.8	Very low	37	Very low	74 Å²	74	137.1 Å²	137.1	76%	0.763	81%	0.809	S	S	*	*			trans	-159.2	146.7	168.5	0	0	0	0	0	110.6
136	Y	28.8	Very low	36.8	Very low	228 Å²	228	138.2 Å²	138.2	89%	0.894	82%	0.82	S	S	*	*			trans	-99.4	171.7	-171.2	-94.5	-107.6	0	0	0	114.1
137	Q	28.9	Very low	36.1	Very low	172 Å²	172	135.9 Å²	135.9	80%	0.804	82%	0.82	S	S	*	*			trans	-58.7	-175.5	173.8	-58.7	176.9	-34.6	0	0	114.2
138	P	44.5	Very low	35.7	Very low	96 Å²	96	139.2 Å²	139.2	62%	0.623	82%	0.821	S	S	*	*			cis	-139.9	-172.8	1.4	22	6.2	0	0	0	117.4
139	H	30.6	Very low	35.6	Very low	167 Å²	167	144.9 Å²	144.9	77%	0.773	82%	0.823	S	S	*	*			trans	87.9	106.3	147.2	-66.3	-45.7	0	0	0	124.7
140	R	32.3	Very low	35.3	Very low	238 Å²	238	148.7 Å²	148.7	90%	0.898	82%	0.822	S	S	*	*				70.2	168.2	126.8	-93.2	-150.9	149.9	174.8	-5.7	120.5
141	P	50.3	Low	34.6	Very low	99 Å²	99	150 Å²	150	64%	0.643	82%	0.822	S	S	*	*			trans	-135.8	-175.1	-144.2	47.7	-32.2	0	0	0	116.1
142	P	41.8	Very low	34.7	Very low	122 Å²	122	143.4 Å²	143.4	79%	0.792	81%	0.813	S	S	*	*			trans	-114.1	160.5	139.4	38	-28.7	0	0	0	110.5
143	G	31	Very low	34.5	Very low	80 Å²	80	142.7 Å²	142.7	83%	0.825	81%	0.809	S	S	*	*			cis	95	120	17.5	0	0	0	0	0	110.8
144	G	30.5	Very low	34.3	Very low	84 Å²	84	138.9 Å²	138.9	87%	0.866	81%	0.808	S	S	*	*			cis	177.9	170.5	-6.3	0	0	0	0	0	111.6
145	G	29.9	Very low	34.3	Very low	88 Å²	88	138.3 Å²	138.3	91%	0.907	81%	0.809	S	S	*	*			trans	95.3	154.2	177.7	0	0	0	0	0	115.1
146	G	32.3	Very low	34.2	Very low	87 Å²	87	138.3 Å²	138.3	90%	0.897	81%	0.81	S	S	*	*			cis	149.6	78.3	-6.4	0	0	0	0	0	114
147	G	32.5	Very low	34.2	Very low	80 Å²	80	131.7 Å²	131.7	83%	0.825	81%	0.811	S	S	*	*			trans	-147.7	85.2	-166.9	0	0	0	0	0	117.8
148	K	33.7	Very low	34.2	Very low	200 Å²	200	127.4 Å²	127.4	87%	0.87	81%	0.813	S	S	*	*			trans	-1.4	121.3	159.1	-64.6	167.3	-179.5	169.2	0	121.3
149	R	36.4	Very low	33.5	Very low	209 Å²	209	126.9 Å²	126.9	79%	0.789	82%	0.824	S	S	*	*				74.9	135.9	121.7	-72.5	-174.4	165.7	-162.4	-4.5	124.1
150	R	37.8	Very low	33.5	Very low	199 Å²	199	123.1 Å²	123.1	75%	0.751	83%	0.831	S	S	*	*			trans	82.1	124	137.9	-83.3	179.9	171.3	-177.7	-4.9	121.3
151	N	31.1	Very low	33.5	Very low	156 Å²	156	115 Å²	115	83%	0.834	82%	0.821	S	S	*	*			trans	57.2	158.7	138.2	-64	37	0	0	0	119
152	S	36.4	Very low	32.7	Very low	104 Å²	104	120.7 Å²	120.7	73%	0.727	84%	0.836	S	S	*	*			cis	-136.6	171.1	7.1	64.7	0	0	0	0	112.9
153	C	35.7	Very low	32.4	Very low	111 Å²	111	124.6 Å²	124.6	75%	0.75	84%	0.841	S	S	*	*			trans	-69.2	164.7	159.3	51.7	0	0	0	0	111.5
154	N	31.6	Very low	32.7	Very low	166 Å²	166	129.4 Å²	129.4	89%	0.888	84%	0.842	S	S	*	*			trans	-150	150.9	149.6	-147.1	16.8	0	0	0	110.4
155	V	33.2	Very low	33.4	Very low	144 Å²	144	131 Å²	131	87%	0.873	84%	0.836	S	S	*	*			trans	-135.7	142.8	-171.4	170.6	0	0	0	0	111.1
156	G	29.2	Very low	33.7	Very low	75 Å²	75	131.6 Å²	131.6	77%	0.773	83%	0.833	S	S	*	*			trans	134.8	136.4	178.8	0	0	0	0	0	110.1
157	G	28.8	Very low	34.1	Very low	89 Å²	89	136.5 Å²	136.5	92%	0.918	83%	0.83	S	S	*	*			cis	125.6	126.5	7.3	0	0	0	0	0	109.4
158	G	28.6	Very low	34.7	Very low	82 Å²	82	142 Å²	142	85%	0.845	83%	0.831	S	S	*	*			cis	-179.5	-166.5	-3.9	0	0	0	0	0	110.9
159	G	29	Very low	34.9	Very low	84 Å²	84	144.1 Å²	144.1	87%	0.866	83%	0.833	S	S	*	*			trans	96.3	155.5	169.7	0	0	0	0	0	116.4
160	G	31.2	Very low	35.3	Very low	88 Å²	88	144.3 Å²	144.3	91%	0.907	83%	0.834	S	S	*	*			trans	87.7	88	173.1	0	0	0	0	0	115.4
161	G	31.8	Very low	35.6	Very low	68 Å²	68	146.1 Å²	146.1	70%	0.701	84%	0.841	S	S	*	*			trans	-115.8	136.7	174.4	0	0	0	0	0	113.2
162	F	34.1	Very low	36.1	Very low	218 Å²	218	148.1 Å²	148.1	96%	0.956	84%	0.837	S	S	*	*			trans	-162	141.5	139.4	-107.5	-72.9	0	0	0	109.5
163	K	35.5	Very low	36.7	Very low	204 Å²	204	149.6 Å²	149.6	89%	0.887	84%	0.841	S	S	*	*			trans	-99.8	118.6	-170.3	-67.3	-178	179.4	178.6	0	112.6
164	H	37.2	Very low	36.6	Very low	182 Å²	182	151.2 Å²	151.2	84%	0.843	84%	0.842	S	S	*	*			trans	-97.3	127.6	162.5	-92.7	-82.1	0	0	0	111.1	A166	H164-A166 PolarHBondContact O-N 3.17Å
165	P	45.5	Very low	37.6	Very low	117 Å²	117	147.8 Å²	147.8	76%	0.76	83%	0.831	S	S	*	*			trans	-84.6	92.5	171.4	32.3	-31.7	0	0	0	111
166	A	36.2	Very low	38.2	Very low	100 Å²	100	148.2 Å²	148.2	83%	0.826	83%	0.829	S	S	*	*			trans	-84	143.1	175.4	0	0	0	0	0	112.3	H164	H164-A166 PolarHBondContact O-N 3.17Å
167	F	39.8	Very low	38.8	Very low	190 Å²	190	150 Å²	150	83%	0.833	83%	0.828	S	S	*	*			trans	-87.4	157.4	-172.1	-92.6	-98.5	0	0	0	114.4
168	K	46.2	Very low	39.7	Very low	196 Å²	196	153.1 Å²	153.1	85%	0.852	82%	0.824	S	S	*	*			trans	70.7	123.7	162.1	-59.9	150.9	174.8	176.5	0	117.8
169	R	38.1	Very low	40.5	Very low	244 Å²	244	154.5 Å²	154.5	92%	0.921	82%	0.821	S	S	*	*				-145.8	146.4	113.5	-143.3	166.9	-71.4	-158.9	1.5	111.4
170	R	45.1	Very low	42	Very low	213 Å²	213	157 Å²	157	80%	0.804	82%	0.819	S	S	*	*			trans	-110.7	133.9	172.9	-179.9	-167.7	-170.5	-154	7.3	107
171	R	42.8	Very low	43.3	Very low	237 Å²	237	158 Å²	158	89%	0.894	80%	0.802	S	S	*	*			trans	-136.2	148.4	164.4	-171.7	169.8	-83	-170.8	-6.5	107.9
172	R	42.3	Very low	44.9	Very low	198 Å²	198	159 Å²	159	75%	0.747	80%	0.797	S	S	*	*			trans	-91	157.8	175.6	-61.8	-168.1	-165.6	-157.2	10.3	109.9
173	V	49.3	Very low	46.2	Very low	135 Å²	135	153.1 Å²	153.1	82%	0.818	78%	0.783	S	S	*	*			trans	3.3	114.8	146.7	-171.8	0	0	0	0	115.5
174	N	33.6	Very low	47.6	Very low	145 Å²	145	150.1 Å²	150.1	78%	0.775	78%	0.776	S	S	*	*				-139.4	152.9	122.1	-140	46.9	0	0	0	107.4
175	S	51.2	Low	49.3	Very low	94 Å²	94	143.9 Å²	143.9	66%	0.657	75%	0.747	S	S	*	*			trans	-98.2	103	-172.4	52.3	0	0	0	0	112
176	D	46.9	Very low	49.8	Very low	153 Å²	153	146.8 Å²	146.8	82%	0.818	76%	0.755	S	S	*	*			trans	-141.7	76	160.1	-76.2	-57.7	0	0	0	106.8
177	C	42.6	Very low	50.9	Low	113 Å²	113	148.2 Å²	148.2	76%	0.764	75%	0.748	S	S	*	*			trans	-100.6	98.6	-179.5	-62.8	0	0	0	0	109.2	S179	C177-S179 PolarHBondContact O-N 2.77Å
178	D	46.2	Very low	52	Low	155 Å²	155	142.1 Å²	142.1	83%	0.829	74%	0.739	S	S	*	*			trans	-51.8	133.1	160.1	-84.4	-45.7	0	0	0	108.9	V180	D178-V180 VanDerWaalsContact C-N 3.29Å; D178-V180 PolarHBondContact O-N 2.85Å
179	S	46.7	Very low	53.2	Low	111 Å²	111	133.3 Å²	133.3	78%	0.776	70%	0.704	S	S	*	*			trans	-76	79.5	-171.5	-69.2	0	0	0	0	111.2	C177 L181	C177-S179 PolarHBondContact O-N 2.77Å; S179-L181 VanDerWaalsContact C-N 3.35Å; S179-L181 PolarHBondContact O-N 3.03Å
180	V	58.8	Low	55.1	Low	136 Å²	136	125.3 Å²	125.3	82%	0.824	68%	0.679	S	S	*	*			trans	-65.3	93.5	173.6	-176.5	0	0	0	0	109.2	D178	D178-V180 VanDerWaalsContact C-N 3.29Å; D178-V180 PolarHBondContact O-N 2.85Å
181	L	59.7	Low	56.6	Low	108 Å²	108	119.1 Å²	119.1	57%	0.565	66%	0.661	S	S	*	*			trans	-61.9	144.1	174.7	-61.7	178.4	0	0	0	110.2	S179 S183 I191	S179-L181 VanDerWaalsContact C-N 3.35Å; S179-L181 PolarHBondContact O-N 3.03Å; L181-S183 PolarHBondContact O-N 2.93Å; L181-I191 HydrophobicContact CB-CG2 4.21Å; L181-I191 HydrophobicContact CD1-CD1 4.1Å
182	P	66.2	Low	58	Low	89 Å²	89	116.6 Å²	116.6	58%	0.578	66%	0.657	S	S	*	*			trans	-59.2	124.1	176.7	-23	33.9	0	0	0	111.4	F185 I191	P182-F185 HydrophobicContact CB-CZ 4.48Å; P182-F185 WeakPolarHBondContact O-CE2 3.42Å; P182-F185 WeakPolarHBondContact O-CZ 3.23Å; P182-I191 WeakPolarHBondContact O-CG2 3.33Å
183	S	60.7	Low	59.6	Low	95 Å²	95	107.9 Å²	107.9	66%	0.664	63%	0.625	S	S	*	*			trans	-90.1	-10.1	177.7	59.6	0	0	0	0	114	L181	L181-S183 PolarHBondContact O-N 2.93Å
184	N	63.8	Low	60.9	Low	141 Å²	141	104.9 Å²	104.9	75%	0.754	61%	0.609	S	S	*	*			trans	-121.1	104.4	-164.7	-60.7	-2.2	0	0	0	110.3
185	F	73.9	Confident	62.9	Low	51 Å²	51	103.3 Å²	103.3	22%	0.224	60%	0.6	C	S	.	*			trans	-108	140.7	-179	-61.1	-89.7	0	0	0	111.1	P182 L187 G188 G189 N190 I191 P194	P182-F185 HydrophobicContact CB-CZ 4.48Å; P182-F185 WeakPolarHBondContact O-CE2 3.42Å; P182-F185 WeakPolarHBondContact O-CZ 3.23Å; F185-L187 PolarHBondContact O-N 3.4Å; F185-L187 VanDerWaalsContact O-N 3.16Å; F185-G188 PolarHBondContact O-N 2.76Å; F185-G189 WeakPolarHBondContact CB-O 3.22Å; F185-G189 WeakPolarHBondContact CD2-O 3.36Å; F185-N190 VanDerWaalsContact CE2-C 3.4Å; F185-I191 HydrophobicContact CE2-CG2 3.99Å; F185-I191 HydrophobicContact CZ-CG2 4.02Å; F185-P194 HydrophobicContact CD1-CB 3.72Å; F185-P194 HydrophobicContact CE1-CB 3.51Å; F185-P194 HydrophobicContact CZ-CB 4.48Å
186	L	54.7	Low	63.8	Low	178 Å²	178	100.4 Å²	100.4	93%	0.932	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-6.7	-166	-79.1	161.8	0	0	0	115.6
187	L	61.1	Low	65.2	Low	131 Å²	131	97.7 Å²	97.7	69%	0.686	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.8	29.4	177	-68.9	92.2	0	0	0	112.4	F185 G189 N196	F185-L187 PolarHBondContact O-N 3.4Å; F185-L187 VanDerWaalsContact O-N 3.16Å; L187-G189 VanDerWaalsContact C-N 3.26Å; L187-G189 PolarHBondContact O-N 3.21Å; L187-N196 PolarHBondContact O-ND2 3.45Å
188	G	62.7	Low	66.3	Low	62 Å²	62	97.2 Å²	97.2	64%	0.639	55%	0.552	S	S	*	*	S	Bend	trans	75.1	9.3	179.7	0	0	0	0	0	115.4	F185	F185-G188 PolarHBondContact O-N 2.76Å
189	G	70.9	Confident	67.2	Low	11 Å²	11	90.7 Å²	90.7	11%	0.113	52%	0.518	C	S	.	.			trans	-63.9	176.4	173.6	0	0	0	0	0	113.8	F185 L187 D193	F185-G189 WeakPolarHBondContact CB-O 3.22Å; F185-G189 WeakPolarHBondContact CD2-O 3.36Å; L187-G189 VanDerWaalsContact C-N 3.26Å; L187-G189 PolarHBondContact O-N 3.21Å; G189-D193 CarbonylContact C-O 3.59Å; G189-D193 VanDerWaalsContact CA-O 3.24Å; G189-D193 WeakPolarHBondContact CA-O 3.34Å
190	N	76.9	Confident	68	Low	76 Å²	76	91.4 Å²	91.4	41%	0.406	51%	0.513	S	S	.	.	B	Isolated β-bridge	trans	-136.1	178.3	-178.4	70	73.9	0	0	0	111.3	F185 F192 D193 P194	F185-N190 VanDerWaalsContact CE2-C 3.4Å; N190-F192 PolarHBondContact O-N 3.02Å; N190-F192 VanDerWaalsContact O-N 3.12Å; N190-F192 WeakPolarHBondContact OD1-CA 3.39Å; N190-F192 PolarHBondContact OD1-N 2.99Å; N190-D193 PolarHBondContact N-O 3.46Å; N190-D193 CarbonylContact O-C 3.55Å; N190-D193 PolarHBondContact O-N 3.45Å; N190-D193 VanDerWaalsContact O-N 3.12Å; N190-D193 VanDerWaalsContact O-O 3.13Å; N190-D193 PolarHBondContact OD1-N 3.36Å; N190-D193 VanDerWaalsContact OD1-N 3.17Å; N190-P194 WeakPolarHBondContact O-CA 3.41Å; N190-P194 VanDerWaalsContact O-N 3.13Å
191	I	77.3	Confident	68.3	Low	83 Å²	83	91.8 Å²	91.8	43%	0.426	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-18	-174.9	62.7	172.7	0	0	0	114.9	L181 P182 F185	L181-I191 HydrophobicContact CB-CG2 4.21Å; L181-I191 HydrophobicContact CD1-CD1 4.1Å; P182-I191 WeakPolarHBondContact O-CG2 3.33Å; F185-I191 HydrophobicContact CE2-CG2 3.99Å; F185-I191 HydrophobicContact CZ-CG2 4.02Å
192	F	72.3	Confident	68.7	Low	183 Å²	183	90.1 Å²	90.1	80%	0.803	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-14.8	176	-56.5	-67	0	0	0	113.2	N190	N190-F192 PolarHBondContact O-N 3.02Å; N190-F192 VanDerWaalsContact O-N 3.12Å; N190-F192 WeakPolarHBondContact OD1-CA 3.39Å; N190-F192 PolarHBondContact OD1-N 2.99Å
193	D	75.3	Confident	68.5	Low	15 Å²	15	93.1 Å²	93.1	8%	0.08	51%	0.507	C	S	.	.	B	Isolated β-bridge	trans	-139.7	82.5	170.3	-176.7	-2.4	0	0	0	109.6	G189 N190 L195 N196 L197 N198	G189-D193 CarbonylContact C-O 3.59Å; G189-D193 VanDerWaalsContact CA-O 3.24Å; G189-D193 WeakPolarHBondContact CA-O 3.34Å; N190-D193 PolarHBondContact N-O 3.46Å; N190-D193 CarbonylContact O-C 3.55Å; N190-D193 PolarHBondContact O-N 3.45Å; N190-D193 VanDerWaalsContact O-N 3.12Å; N190-D193 VanDerWaalsContact O-O 3.13Å; N190-D193 PolarHBondContact OD1-N 3.36Å; N190-D193 VanDerWaalsContact OD1-N 3.17Å; D193-L195 PolarHBondContact O-N 3.06Å; D193-L195 VanDerWaalsContact O-N 3.15Å; D193-L195 PolarHBondContact OD1-N 3.37Å; D193-N196 PolarHBondContact O-N 3.47Å; D193-N196 WeakPolarHBondContact OD1-CA 3.35Å; D193-N196 PolarHBondContact OD1-N 3.38Å; D193-N196 WeakPolarHBondContact OD2-CA 3.45Å; D193-L197 VanDerWaalsContact CG-N 3.34Å; D193-L197 PolarHBondContact OD1-N 2.9Å; D193-L197 PolarHBondContact OD2-N 3.33Å; D193-N198 WeakPolarHBondContact OD2-CB 3.35Å; D193-N198 PolarHBondContact OD2-N 2.77Å; D193-N198 PolarHBondContact OD2-ND2 2.71Å
194	P	77.8	Confident	69	Low	72 Å²	72	95.7 Å²	95.7	47%	0.468	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-7.6	-171.9	29.7	-36.8	0	0	0	113.8	F185 N190	F185-P194 HydrophobicContact CD1-CB 3.72Å; F185-P194 HydrophobicContact CE1-CB 3.51Å; F185-P194 HydrophobicContact CZ-CB 4.48Å; N190-P194 WeakPolarHBondContact O-CA 3.41Å; N190-P194 VanDerWaalsContact O-N 3.13Å
195	L	76	Confident	69.2	Low	113 Å²	113	92.1 Å²	92.1	59%	0.592	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-2	-179.6	-64.7	179.3	0	0	0	113.1	D193 L197	D193-L195 PolarHBondContact O-N 3.06Å; D193-L195 VanDerWaalsContact O-N 3.15Å; D193-L195 PolarHBondContact OD1-N 3.37Å; L195-L197 VanDerWaalsContact C-N 3.28Å; L195-L197 HydrophobicContact CB-CD1 4.12Å; L195-L197 HydrophobicContact CB-CD2 4.34Å; L195-L197 HydrophobicContact CB-CG 3.79Å; L195-L197 HydrophobicContact CD1-CD1 4.23Å; L195-L197 PolarHBondContact O-N 3.43Å
196	N	70.2	Confident	68.7	Low	32 Å²	32	91.2 Å²	91.2	17%	0.171	49%	0.492	C	S	.	.			trans	59.5	31	-178	-157.3	12.5	0	0	0	114.2	L187 D193 N198 S199	L187-N196 PolarHBondContact O-ND2 3.45Å; D193-N196 PolarHBondContact O-N 3.47Å; D193-N196 WeakPolarHBondContact OD1-CA 3.35Å; D193-N196 PolarHBondContact OD1-N 3.38Å; D193-N196 WeakPolarHBondContact OD2-CA 3.45Å; N196-N198 VanDerWaalsContact C-N 3.34Å; N196-N198 PolarHBondContact O-N 3.45Å; N196-S199 WeakPolarHBondContact O-CB 3.47Å; N196-S199 PolarHBondContact O-N 2.75Å; N196-S199 PolarHBondContact O-OG 2.96Å; N196-S199 WeakPolarHBondContact OD1-CB 3.37Å
197	L	74.6	Confident	69.4	Low	97 Å²	97	90.4 Å²	90.4	51%	0.508	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-71.5	-26.8	-174.7	-63.3	176.4	0	0	0	113.1	D193 L195 S199 L200	D193-L197 VanDerWaalsContact CG-N 3.34Å; D193-L197 PolarHBondContact OD1-N 2.9Å; D193-L197 PolarHBondContact OD2-N 3.33Å; L195-L197 VanDerWaalsContact C-N 3.28Å; L195-L197 HydrophobicContact CB-CD1 4.12Å; L195-L197 HydrophobicContact CB-CD2 4.34Å; L195-L197 HydrophobicContact CB-CG 3.79Å; L195-L197 HydrophobicContact CD1-CD1 4.23Å; L195-L197 PolarHBondContact O-N 3.43Å; L197-S199 PolarHBondContact O-N 3.16Å; L197-L200 HydrophobicContact CD2-CD1 4.21Å; L197-L200 WeakPolarHBondContact O-CB 3.48Å; L197-L200 PolarHBondContact O-N 2.99Å
198	N	67.1	Low	69.8	Low	103 Å²	103	87.6 Å²	87.6	55%	0.551	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-65.6	-23.1	175.5	-69.4	-36.6	0	0	0	112.3	D193 N196 L200 L201	D193-N198 WeakPolarHBondContact OD2-CB 3.35Å; D193-N198 PolarHBondContact OD2-N 2.77Å; D193-N198 PolarHBondContact OD2-ND2 2.71Å; N196-N198 VanDerWaalsContact C-N 3.34Å; N196-N198 PolarHBondContact O-N 3.45Å; N198-L200 PolarHBondContact O-N 2.76Å; N198-L201 WeakPolarHBondContact O-CB 3.38Å; N198-L201 PolarHBondContact O-N 2.71Å; N198-L201 VanDerWaalsContact O-N 3.09Å
199	S	64.8	Low	69.8	Low	18 Å²	18	89.8 Å²	89.8	13%	0.126	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-66.1	-14.3	172.5	72.5	0	0	0	0	113.6	N196 L197 S206	N196-S199 WeakPolarHBondContact O-CB 3.47Å; N196-S199 PolarHBondContact O-N 2.75Å; N196-S199 PolarHBondContact O-OG 2.96Å; N196-S199 WeakPolarHBondContact OD1-CB 3.37Å; L197-S199 PolarHBondContact O-N 3.16Å; S199-S206 WeakPolarHBondContact O-CB 3.33Å
200	L	62.6	Low	69.4	Low	125 Å²	125	94.7 Å²	94.7	65%	0.654	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-86.4	-7.8	173.9	-56.6	175.7	0	0	0	113.2	L197 N198	L197-L200 HydrophobicContact CD2-CD1 4.21Å; L197-L200 WeakPolarHBondContact O-CB 3.48Å; L197-L200 PolarHBondContact O-N 2.99Å; N198-L200 PolarHBondContact O-N 2.76Å
201	L	66.2	Low	68.9	Low	145 Å²	145	94.9 Å²	94.9	76%	0.759	50%	0.504	S	S	*	.	S	Bend	trans	-87.6	-10	175.6	-56.7	177.4	0	0	0	112.5	N198	N198-L201 WeakPolarHBondContact O-CB 3.38Å; N198-L201 PolarHBondContact O-N 2.71Å; N198-L201 VanDerWaalsContact O-N 3.09Å
202	D	67.5	Low	68	Low	73 Å²	73	99.2 Å²	99.2	39%	0.39	52%	0.523	S	S	.	.			trans	-133.9	105.3	-177.9	-174.1	-38.6	0	0	0	109.8	E204 V205 S206	D202-E204 PolarHBondContact O-N 3.39Å; D202-E204 WeakPolarHBondContact OD1-CA 3.43Å; D202-E204 WeakPolarHBondContact OD1-CB 3.39Å; D202-E204 PolarHBondContact OD1-N 3.14Å; D202-V205 HydrophobicContact CB-CB 4.09Å; D202-V205 HydrophobicContact CB-CG2 4.1Å; D202-V205 PolarHBondContact O-N 2.96Å; D202-V205 PolarHBondContact OD1-N 3.32Å; D202-S206 WeakPolarHBondContact O-CB 3.24Å; D202-S206 PolarHBondContact O-N 3.19Å
203	E	61.5	Low	67.2	Low	152 Å²	152	96 Å²	96	71%	0.71	52%	0.518	S	S	*	.	H	α-helix	trans	-66.3	-18.8	-178.9	-66.2	-166.4	148.6	0	0	113.7	R207	E203-R207 PolarHBondContact O-N 2.69Å; E203-R207 PolarHBondContact O-NE 2.82Å; E203-R207 PolarHBondContact O-NH2 2.8Å
204	E	72.1	Confident	66	Low	149 Å²	149	100.2 Å²	100.2	70%	0.696	55%	0.546	S	S	*	.	H	α-helix	trans	-82.7	-44.8	178.8	-168.5	164.7	-166	0	0	110.2	D202 S206 R207 A208	D202-E204 PolarHBondContact O-N 3.39Å; D202-E204 WeakPolarHBondContact OD1-CA 3.43Å; D202-E204 WeakPolarHBondContact OD1-CB 3.39Å; D202-E204 PolarHBondContact OD1-N 3.14Å; E204-S206 PolarHBondContact O-N 2.84Å; E204-R207 PolarHBondContact O-N 3.24Å; E204-A208 PolarHBondContact O-N 3.2Å
205	V	66.9	Low	64.9	Low	65 Å²	65	107.2 Å²	107.2	39%	0.394	57%	0.57	S	S	.	*	H	α-helix	trans	-62.2	-42	172.5	175.7	0	0	0	0	111.5	D202 R207 A208 L209	D202-V205 HydrophobicContact CB-CB 4.09Å; D202-V205 HydrophobicContact CB-CG2 4.1Å; D202-V205 PolarHBondContact O-N 2.96Å; D202-V205 PolarHBondContact OD1-N 3.32Å; V205-R207 VanDerWaalsContact C-N 3.35Å; V205-R207 PolarHBondContact O-N 3.15Å; V205-A208 PolarHBondContact O-N 2.98Å; V205-L209 HydrophobicContact CG1-CD1 4.05Å; V205-L209 PolarHBondContact O-N 3.08Å
206	S	64.6	Low	63.2	Low	33 Å²	33	106.7 Å²	106.7	23%	0.231	58%	0.576	C	S	.	*	H	α-helix	trans	-59.6	-43	175.2	-175	0	0	0	0	112.3	S199 D202 E204 N210	S199-S206 WeakPolarHBondContact O-CB 3.33Å; D202-S206 WeakPolarHBondContact O-CB 3.24Å; D202-S206 PolarHBondContact O-N 3.19Å; E204-S206 PolarHBondContact O-N 2.84Å; S206-N210 WeakPolarHBondContact O-CB 3.36Å; S206-N210 PolarHBondContact O-N 2.8Å; S206-N210 VanDerWaalsContact O-N 3.15Å; S206-N210 PolarHBondContact O-ND2 3.3Å
207	R	68.3	Low	62.2	Low	160 Å²	160	109.9 Å²	109.9	60%	0.604	60%	0.6	S	S	*	*	H	α-helix	trans	-64.4	-44.4	174.7	-90.7	173.4	-74.5	174	-6.2	112.2	E203 E204 V205 L209 N210 A211	E203-R207 PolarHBondContact O-N 2.69Å; E203-R207 PolarHBondContact O-NE 2.82Å; E203-R207 PolarHBondContact O-NH2 2.8Å; E204-R207 PolarHBondContact O-N 3.24Å; V205-R207 VanDerWaalsContact C-N 3.35Å; V205-R207 PolarHBondContact O-N 3.15Å; R207-L209 PolarHBondContact O-N 2.92Å; R207-N210 PolarHBondContact O-N 2.89Å; R207-A211 WeakPolarHBondContact O-CB 3.39Å; R207-A211 PolarHBondContact O-N 2.96Å
208	A	69.3	Low	60.9	Low	72 Å²	72	111.4 Å²	111.4	60%	0.595	62%	0.616	S	S	*	*	H	α-helix	trans	-61.2	-42.8	-179.8	0	0	0	0	0	112.5	E204 V205	E204-A208 PolarHBondContact O-N 3.2Å; V205-A208 PolarHBondContact O-N 2.98Å
209	L	63.1	Low	60.2	Low	108 Å²	108	113.7 Å²	113.7	57%	0.565	63%	0.628	S	S	*	*	H	α-helix	trans	-72.7	-30.8	179.2	-72.8	172	0	0	0	113.7	V205 R207	V205-L209 HydrophobicContact CG1-CD1 4.05Å; V205-L209 PolarHBondContact O-N 3.08Å; R207-L209 PolarHBondContact O-N 2.92Å
210	N	62.3	Low	59.6	Low	115 Å²	115	118.3 Å²	118.3	62%	0.615	66%	0.657	S	S	*	*	H	α-helix	trans	-91.3	-1.8	179.2	-70	-72.1	0	0	0	113.9	S206 R207 E212	S206-N210 WeakPolarHBondContact O-CB 3.36Å; S206-N210 PolarHBondContact O-N 2.8Å; S206-N210 VanDerWaalsContact O-N 3.15Å; S206-N210 PolarHBondContact O-ND2 3.3Å; R207-N210 PolarHBondContact O-N 2.89Å; N210-E212 VanDerWaalsContact C-N 3.31Å; N210-E212 PolarHBondContact O-N 2.74Å
211	A	67.8	Low	59	Low	79 Å²	79	116 Å²	116	65%	0.653	66%	0.656	S	S	*	*	S	Bend	trans	-65.2	-30.2	-179.3	0	0	0	0	0	113.7	R207	R207-A211 WeakPolarHBondContact O-CB 3.39Å; R207-A211 PolarHBondContact O-N 2.96Å
212	E	58.7	Low	58.3	Low	174 Å²	174	119.4 Å²	119.4	81%	0.813	67%	0.665	S	S	*	*	S	Bend	trans	-109.4	80.5	-179.4	-66.1	-159.6	165.7	0	0	112.5	N210 P214	N210-E212 VanDerWaalsContact C-N 3.31Å; N210-E212 PolarHBondContact O-N 2.74Å; E212-P214 VanDerWaalsContact O-CD 3.32Å; E212-P214 WeakPolarHBondContact O-CD 3.49Å; E212-P214 VanDerWaalsContact O-N 3.16Å
213	T	55.5	Low	57.7	Low	115 Å²	115	119.9 Å²	119.9	71%	0.706	69%	0.687	S	S	*	*			trans	-55.9	117.6	172.1	-60.9	0	0	0	0	111.2	K215	T213-K215 PolarHBondContact O-N 3.09Å
214	P	50	Low	57.4	Low	104 Å²	104	122.9 Å²	122.9	68%	0.675	69%	0.692	S	S	*	*			trans	-66.6	119.1	-179.1	24.7	-32.7	0	0	0	110.7	E212 S216	E212-P214 VanDerWaalsContact O-CD 3.32Å; E212-P214 WeakPolarHBondContact O-CD 3.49Å; E212-P214 VanDerWaalsContact O-N 3.16Å; P214-S216 PolarHBondContact O-N 3.17Å
215	K	53.2	Low	56.6	Low	219 Å²	219	122.9 Å²	122.9	95%	0.952	70%	0.697	S	S	*	*			trans	-72.8	66.7	-178.1	-69.2	-179	178.9	171.6	0	112.8	T213	T213-K215 PolarHBondContact O-N 3.09Å
216	S	41.2	Very low	56.3	Low	103 Å²	103	124.1 Å²	124.1	72%	0.72	71%	0.706	S	S	*	*			trans	-144.8	51.6	179.5	66.8	0	0	0	0	115	P214	P214-S216 PolarHBondContact O-N 3.17Å
217	S	48.3	Very low	56	Low	98 Å²	98	128.5 Å²	128.5	69%	0.685	73%	0.731	S	S	*	*	S	Bend	trans	-102.6	128.3	148	61.7	0	0	0	0	108.4	L219	S217-L219 PolarHBondContact O-N 2.86Å
218	P	49	Very low	55.6	Low	129 Å²	129	126.8 Å²	126.8	84%	0.838	73%	0.73	S	S	*	*			trans	-75.1	101.7	-179.3	28.8	-32.9	0	0	0	109.7
219	L	51.4	Low	55.5	Low	152 Å²	152	128.4 Å²	128.4	80%	0.796	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-51.4	135.1	177.5	-67.5	177.3	0	0	0	110.9	S217 A221	S217-L219 PolarHBondContact O-N 2.86Å; L219-A221 PolarHBondContact O-N 2.91Å; L219-A221 VanDerWaalsContact O-N 3.15Å
220	P	51.6	Low	55.8	Low	114 Å²	114	126.4 Å²	126.4	74%	0.74	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-57.7	121	179.5	-25.6	34.7	0	0	0	111.8	K222	P220-K222 PolarHBondContact O-N 3.42Å; P220-K222 VanDerWaalsContact O-N 3.16Å
221	A	51.6	Low	56.4	Low	77 Å²	77	126.1 Å²	126.1	64%	0.636	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-60.1	120.1	171.6	0	0	0	0	0	109.2	L219 G223	L219-A221 PolarHBondContact O-N 2.91Å; L219-A221 VanDerWaalsContact O-N 3.15Å; A221-G223 PolarHBondContact O-N 3.43Å
222	K	50.3	Low	56.6	Low	216 Å²	216	124.7 Å²	124.7	94%	0.939	70%	0.699	S	S	*	*	S	Bend	trans	-54	128.8	-179.5	-69.2	-178.2	174.9	-178.3	0	109.9	P220	P220-K222 PolarHBondContact O-N 3.42Å; P220-K222 VanDerWaalsContact O-N 3.16Å
223	G	55.2	Low	57.1	Low	84 Å²	84	124 Å²	124	87%	0.866	69%	0.693	S	S	*	*			trans	106	38.1	-177.4	0	0	0	0	0	115.6	A221	A221-G223 PolarHBondContact O-N 3.43Å
224	R	55.9	Low	58.1	Low	214 Å²	214	121.7 Å²	121.7	81%	0.808	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-103.1	150.1	157.8	-69.2	-172.2	177.6	-174.5	1.8	109.5
225	D	53.8	Low	59.1	Low	149 Å²	149	123.7 Å²	123.7	80%	0.797	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-56.3	151.1	169.3	-47.6	-53.7	0	0	0	110.2
226	P	60.8	Low	59.7	Low	92 Å²	92	118.7 Å²	118.7	60%	0.597	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-51.6	140.9	177.2	-27.4	35.4	0	0	0	112.6	E228	P226-E228 PolarHBondContact O-N 3.14Å
227	V	58.9	Low	61.1	Low	125 Å²	125	114.4 Å²	114.4	76%	0.758	64%	0.637	S	S	*	*			trans	-83.1	97.6	175.4	-178.8	0	0	0	0	108	I229	V227-I229 HydrophobicContact CG1-CG1 4.44Å; V227-I229 PolarHBondContact O-N 2.92Å; V227-I229 VanDerWaalsContact O-N 3.11Å
228	E	59.3	Low	62.3	Low	123 Å²	123	113.1 Å²	113.1	58%	0.575	63%	0.626	S	S	*	*			trans	-56.5	110.7	168.6	-68.9	171.4	-165.2	0	0	110	P226	P226-E228 PolarHBondContact O-N 3.14Å
229	I	66.9	Low	63.3	Low	106 Å²	106	112.5 Å²	112.5	54%	0.544	62%	0.615	S	S	.	*	B	Isolated β-bridge	trans	-94.6	106.1	173.6	-59.7	176.9	0	0	0	108.1	V227 I231	V227-I229 HydrophobicContact CG1-CG1 4.44Å; V227-I229 PolarHBondContact O-N 2.92Å; V227-I229 VanDerWaalsContact O-N 3.11Å; I229-I231 PolarHBondContact O-N 3.41Å
230	L	69.2	Low	64.2	Low	67 Å²	67	108.5 Å²	108.5	35%	0.351	60%	0.6	S	S	.	*			trans	-75.4	102.8	172.7	-72.3	169.4	0	0	0	109.7	P232 P255	L230-P232 WeakPolarHBondContact O-CD 3.46Å; L230-P255 HydrophobicContact CD1-CG 4.27Å
231	I	75.8	Confident	64.9	Low	108 Å²	108	106.9 Å²	106.9	55%	0.554	58%	0.584	S	S	*	*			trans	-74.7	123.5	170.8	-57.7	177.2	0	0	0	108.3	I229	I229-I231 PolarHBondContact O-N 3.41Å
232	P	72.3	Confident	65.6	Low	50 Å²	50	108 Å²	108	33%	0.325	58%	0.58	S	S	.	*			trans	-63.1	151.6	176.4	-24.1	36.1	0	0	0	112.7	L230 D234 P238	L230-P232 WeakPolarHBondContact O-CD 3.46Å; P232-D234 PolarHBondContact O-N 3.48Å; P232-P238 HydrophobicContact CB-CB 4.15Å; P232-P238 HydrophobicContact CG-CB 3.73Å
233	K	69.4	Low	65.9	Low	159 Å²	159	102.2 Å²	102.2	69%	0.691	56%	0.563	S	S	*	*	S	Bend	trans	-64.6	-26.5	-179.7	-67.7	-164.5	171.1	-156.7	0	113.5	D311	K233-D311 PolarHBondContact NZ-O 2.88Å
234	D	75.6	Confident	65.6	Low	66 Å²	66	104.6 Å²	104.6	35%	0.353	57%	0.565	S	S	.	*			trans	-126	123.1	172.5	-177.8	-10	0	0	0	107.8	P232 T236 D237	P232-D234 PolarHBondContact O-N 3.48Å; D234-T236 VanDerWaalsContact C-N 3.28Å; D234-T236 WeakPolarHBondContact OD1-CA 3.14Å; D234-T236 WeakPolarHBondContact OD1-CB 3.16Å; D234-T236 PolarHBondContact OD1-N 3.29Å; D234-T236 PolarHBondContact OD1-OG1 2.9Å; D234-T236 PolarHBondContact OD2-OG1 3.23Å; D234-D237 HydrophobicContact CB-CB 4.3Å; D234-D237 CarbonylContact O-C 3.24Å; D234-D237 VanDerWaalsContact O-C 3.24Å; D234-D237 PolarHBondContact OD1-N 3.46Å
235	I	71.3	Confident	64.8	Low	146 Å²	146	99.8 Å²	99.8	75%	0.749	56%	0.559	S	S	*	*	S	Bend	trans	-75.9	-18.5	178.4	60.1	173	0	0	0	112.7
236	T	66.4	Low	64.3	Low	115 Å²	115	100.7 Å²	100.7	71%	0.706	56%	0.564	S	S	*	*	S	Bend	trans	-88.8	-23.2	175.6	74.4	0	0	0	0	112.4	D234 P238	D234-T236 VanDerWaalsContact C-N 3.28Å; D234-T236 WeakPolarHBondContact OD1-CA 3.14Å; D234-T236 WeakPolarHBondContact OD1-CB 3.16Å; D234-T236 PolarHBondContact OD1-N 3.29Å; D234-T236 PolarHBondContact OD1-OG1 2.9Å; D234-T236 PolarHBondContact OD2-OG1 3.23Å; T236-P238 VanDerWaalsContact C-CD 3.49Å
237	D	70.8	Confident	63.4	Low	12 Å²	12	104 Å²	104	6%	0.064	57%	0.572	C	S	.	*			trans	-125.3	71	170.3	-169.9	5	0	0	0	112.1	D234 L239 S240 L241 N242	D234-D237 HydrophobicContact CB-CB 4.3Å; D234-D237 CarbonylContact O-C 3.24Å; D234-D237 VanDerWaalsContact O-C 3.24Å; D234-D237 PolarHBondContact OD1-N 3.46Å; D237-L239 PolarHBondContact O-N 3.34Å; D237-S240 VanDerWaalsContact CG-CA 3.48Å; D237-S240 PolarHBondContact O-N 3.38Å; D237-S240 WeakPolarHBondContact OD1-CA 3.37Å; D237-S240 PolarHBondContact OD1-N 3Å; D237-S240 VanDerWaalsContact OD2-C 3.25Å; D237-S240 VanDerWaalsContact OD2-CA 3.23Å; D237-S240 WeakPolarHBondContact OD2-CA 3.15Å; D237-L241 VanDerWaalsContact CG-N 3.28Å; D237-L241 PolarHBondContact OD1-N 3.25Å; D237-L241 PolarHBondContact OD2-N 3.02Å; D237-N242 WeakPolarHBondContact CB-ND2 3.41Å; D237-N242 VanDerWaalsContact OD2-CB 3.25Å; D237-N242 WeakPolarHBondContact OD2-CB 3.04Å; D237-N242 PolarHBondContact OD2-N 3.5Å; D237-N242 PolarHBondContact OD2-ND2 2.92Å
238	P	72.9	Confident	63	Low	71 Å²	71	101.8 Å²	101.8	46%	0.461	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.9	-1.2	-175	28.6	-37.3	0	0	0	114.6	P232 T236	P232-P238 HydrophobicContact CB-CB 4.15Å; P232-P238 HydrophobicContact CG-CB 3.73Å; T236-P238 VanDerWaalsContact C-CD 3.49Å
239	L	70.6	Confident	62.1	Low	117 Å²	117	104 Å²	104	61%	0.613	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.4	0.7	178.5	-67.4	177.5	0	0	0	113.2	D237 L241	D237-L239 PolarHBondContact O-N 3.34Å; L239-L241 VanDerWaalsContact C-N 3.31Å; L239-L241 HydrophobicContact CB-CD1 3.99Å; L239-L241 HydrophobicContact CB-CD2 4.26Å; L239-L241 HydrophobicContact CB-CG 3.71Å; L239-L241 HydrophobicContact CD1-CD1 4.13Å; L239-L241 PolarHBondContact O-N 3.34Å
240	S	69.3	Low	60.9	Low	68 Å²	68	104.8 Å²	104.8	48%	0.476	59%	0.593	S	S	.	*			trans	51.3	45.6	-176.8	-53.6	0	0	0	0	113.4	D237 T243	D237-S240 VanDerWaalsContact CG-CA 3.48Å; D237-S240 PolarHBondContact O-N 3.38Å; D237-S240 WeakPolarHBondContact OD1-CA 3.37Å; D237-S240 PolarHBondContact OD1-N 3Å; D237-S240 VanDerWaalsContact OD2-C 3.25Å; D237-S240 VanDerWaalsContact OD2-CA 3.23Å; D237-S240 WeakPolarHBondContact OD2-CA 3.15Å; S240-T243 PolarHBondContact O-OG1 2.94Å
241	L	67.3	Low	59.8	Low	79 Å²	79	107.1 Å²	107.1	41%	0.414	61%	0.61	S	S	.	*			trans	-86.9	-15.9	-179.6	-60.4	178.1	0	0	0	113.8	D237 L239 A525	D237-L241 VanDerWaalsContact CG-N 3.28Å; D237-L241 PolarHBondContact OD1-N 3.25Å; D237-L241 PolarHBondContact OD2-N 3.02Å; L239-L241 VanDerWaalsContact C-N 3.31Å; L239-L241 HydrophobicContact CB-CD1 3.99Å; L239-L241 HydrophobicContact CB-CD2 4.26Å; L239-L241 HydrophobicContact CB-CG 3.71Å; L239-L241 HydrophobicContact CD1-CD1 4.13Å; L239-L241 PolarHBondContact O-N 3.34Å; L241-A525 HydrophobicContact CB-CB 3.79Å; L241-A525 HydrophobicContact CD1-CB 4.47Å
242	N	65.6	Low	58.3	Low	100 Å²	100	108.9 Å²	108.9	54%	0.535	62%	0.62	S	S	.	*	S	Bend	trans	-90.3	-16.8	-176.9	-60.2	-36.7	0	0	0	112.8	D237 C244 A525	D237-N242 WeakPolarHBondContact CB-ND2 3.41Å; D237-N242 VanDerWaalsContact OD2-CB 3.25Å; D237-N242 WeakPolarHBondContact OD2-CB 3.04Å; D237-N242 PolarHBondContact OD2-N 3.5Å; D237-N242 PolarHBondContact OD2-ND2 2.92Å; N242-C244 PolarHBondContact O-N 2.73Å; N242-A525 WeakPolarHBondContact OD1-CB 3.43Å
243	T	56.3	Low	56.8	Low	96 Å²	96	109.6 Å²	109.6	59%	0.589	63%	0.63	S	S	*	*			trans	-80	81	-178.2	53.8	0	0	0	0	112.2	S240 T245	S240-T243 PolarHBondContact O-OG1 2.94Å; T243-T245 PolarHBondContact O-N 2.83Å
244	C	49.2	Very low	55.6	Low	133 Å²	133	106.2 Å²	106.2	90%	0.899	63%	0.626	S	S	*	*			trans	-75.4	88	170.4	-174.2	0	0	0	0	110.7	N242	N242-C244 PolarHBondContact O-N 2.73Å
245	T	39.5	Very low	53.9	Low	113 Å²	113	106.8 Å²	106.8	69%	0.693	63%	0.634	S	S	*	*			trans	-132.7	142.5	176	-8.4	0	0	0	0	109.4	T243 E247	T243-T245 PolarHBondContact O-N 2.83Å; T245-E247 PolarHBondContact O-N 3.11Å
246	D	43.3	Very low	52.4	Low	168 Å²	168	107.9 Å²	107.9	90%	0.898	64%	0.64	S	S	*	*	S	Bend	trans	-73.8	12	-164.8	-153.2	24.8	0	0	0	115.4
247	E	41.6	Very low	51.2	Low	163 Å²	163	111.8 Å²	111.8	76%	0.762	65%	0.647	S	S	*	*	S	Bend	trans	-118.6	105.2	-176.6	-74.3	-65.8	169.5	0	0	110.5	T245 H249	T245-E247 PolarHBondContact O-N 3.11Å; E247-H249 VanDerWaalsContact C-N 3.32Å; E247-H249 PolarHBondContact O-N 2.85Å
248	G	49.9	Very low	49.7	Very low	78 Å²	78	117.6 Å²	117.6	80%	0.804	68%	0.683	S	S	*	*			trans	-73	59.5	-160	0	0	0	0	0	117.5
249	H	40.7	Very low	48	Very low	170 Å²	170	117.6 Å²	117.6	79%	0.787	70%	0.696	S	S	*	*			trans	-100.6	67.4	176.1	-102.3	-82.3	0	0	0	113.5	E247 V251	E247-H249 VanDerWaalsContact C-N 3.32Å; E247-H249 PolarHBondContact O-N 2.85Å; H249-V251 PolarHBondContact O-N 3.06Å
250	V	42.6	Very low	46.4	Very low	122 Å²	122	123.6 Å²	123.6	74%	0.739	71%	0.71	S	S	*	*			trans	-68.8	95.1	166.1	-179.6	0	0	0	0	109.2	L252	V250-L252 PolarHBondContact O-N 2.97Å
251	V	45.3	Very low	44.8	Very low	115 Å²	115	129.7 Å²	129.7	70%	0.697	73%	0.728	S	S	*	*			trans	-74.3	95.4	178.2	-178.5	0	0	0	0	109.5	H249 A253	H249-V251 PolarHBondContact O-N 3.06Å; V251-A253 PolarHBondContact O-N 3.49Å; V251-A253 VanDerWaalsContact O-N 3.11Å
252	L	44	Very low	43.2	Very low	146 Å²	146	137.4 Å²	137.4	76%	0.764	75%	0.752	S	S	*	*			trans	-61.6	112.8	169.9	-66	175.5	0	0	0	109.5	V250 S254	V250-L252 PolarHBondContact O-N 2.97Å; L252-S254 PolarHBondContact O-N 3.12Å
253	A	42.4	Very low	41.7	Very low	65 Å²	65	141.2 Å²	141.2	54%	0.537	77%	0.766	S	S	.	*	S	Bend	trans	-72.1	57.6	177.9	0	0	0	0	0	112.3	V251	V251-A253 PolarHBondContact O-N 3.49Å; V251-A253 VanDerWaalsContact O-N 3.11Å
254	S	43.5	Very low	40.7	Very low	87 Å²	87	147.9 Å²	147.9	61%	0.608	78%	0.781	S	S	*	*	S	Bend	trans	-149.2	109.1	-177.2	-68.6	0	0	0	0	109.3	L252 L256	L252-S254 PolarHBondContact O-N 3.12Å; S254-L256 PolarHBondContact O-N 2.72Å; S254-L256 VanDerWaalsContact O-N 3.13Å
255	P	39.4	Very low	40	Very low	79 Å²	79	150.7 Å²	150.7	51%	0.513	78%	0.78	S	S	.	*			trans	-55.9	119	-177.8	-28.8	36	0	0	0	112.7	L230 K257	L230-P255 HydrophobicContact CD1-CG 4.27Å; P255-K257 VanDerWaalsContact C-N 3.32Å; P255-K257 PolarHBondContact O-N 2.96Å
256	L	40.2	Very low	39.7	Very low	168 Å²	168	156.6 Å²	156.6	88%	0.88	79%	0.79	S	S	*	*			trans	-67.7	89.2	172.2	-74.2	174.6	0	0	0	109.3	S254 T258	S254-L256 PolarHBondContact O-N 2.72Å; S254-L256 VanDerWaalsContact O-N 3.13Å; L256-T258 PolarHBondContact O-N 3.12Å
257	K	41.3	Very low	39.2	Very low	198 Å²	198	152 Å²	152	86%	0.861	78%	0.781	S	S	*	*			trans	-54.9	105.9	-179.7	-72.4	-168.4	173.8	-172.4	0	110.9	P255 G259	P255-K257 VanDerWaalsContact C-N 3.32Å; P255-K257 PolarHBondContact O-N 2.96Å; K257-G259 PolarHBondContact O-N 2.6Å
258	T	38.8	Very low	38.8	Very low	134 Å²	134	153.2 Å²	153.2	82%	0.822	79%	0.787	S	S	*	*			trans	-59.9	119.2	178.3	46	0	0	0	0	109.3	L256 R260	L256-T258 PolarHBondContact O-N 3.12Å; T258-R260 PolarHBondContact O-N 3.15Å
259	G	36.3	Very low	38.1	Very low	70 Å²	70	158.5 Å²	158.5	72%	0.722	79%	0.791	S	S	*	*			trans	-65.8	109.4	-170.8	0	0	0	0	0	111.8	K257 K261	K257-G259 PolarHBondContact O-N 2.6Å; G259-K261 PolarHBondContact O-N 3.01Å
260	R	37.3	Very low	37.9	Very low	243 Å²	243	157.9 Å²	157.9	92%	0.917	79%	0.788	S	S	*	*			trans	-51.2	106.6	171.7	-76.7	-172.7	176.2	-179.1	0.9	109.5	T258 R262	T258-R260 PolarHBondContact O-N 3.15Å; R260-R262 PolarHBondContact O-N 3.43Å
261	K	35.7	Very low	37.4	Very low	196 Å²	196	159.6 Å²	159.6	85%	0.852	79%	0.787	S	S	*	*			trans	-59.5	106.4	178.1	-74.1	179.6	179	173.2	0	109.3	G259 H263	G259-K261 PolarHBondContact O-N 3.01Å; K261-H263 PolarHBondContact O-N 3.37Å
262	R	34.3	Very low	36.7	Very low	242 Å²	242	161 Å²	161	91%	0.913	79%	0.787	S	S	*	*			trans	-66.6	106	169.3	-76.4	-172.6	172	-163.7	-3.3	108.8	R260 R264	R260-R262 PolarHBondContact O-N 3.43Å; R262-R264 PolarHBondContact O-N 3.2Å; R262-R264 VanDerWaalsContact O-N 3.13Å
263	H	33.8	Very low	36	Very low	179 Å²	179	161.5 Å²	161.5	83%	0.829	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-55.2	117.6	167.5	-98.8	-108.5	0	0	0	109.3	K261	K261-H263 PolarHBondContact O-N 3.37Å
264	R	35.5	Very low	35.4	Very low	237 Å²	237	166.5 Å²	166.5	89%	0.894	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-93.1	123.6	158.8	-91.8	-176	162.9	179.4	-5.7	107.3	R262 R266	R262-R264 PolarHBondContact O-N 3.2Å; R262-R264 VanDerWaalsContact O-N 3.13Å; R264-R266 PolarHBondContact O-N 2.89Å
265	H	34.9	Very low	34.8	Very low	191 Å²	191	166.8 Å²	166.8	88%	0.884	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-60.5	118.8	171	-67	-95.5	0	0	0	109.1
266	R	32.3	Very low	34.2	Very low	238 Å²	238	168.3 Å²	168.3	90%	0.898	82%	0.824	S	S	*	*			trans	-99.9	114	162.6	-175.2	176.1	-176.4	173.4	0.4	106.2	R264	R264-R266 PolarHBondContact O-N 2.89Å
267	G	33.3	Very low	33.6	Very low	70 Å²	70	164.1 Å²	164.1	72%	0.722	82%	0.821	S	S	*	*			trans	-60.2	139.5	177.2	0	0	0	0	0	110.8
268	Q	32.6	Very low	32.9	Very low	190 Å²	190	158.8 Å²	158.8	89%	0.888	82%	0.823	S	S	*	*			trans	-77	145.1	166.4	-67.8	178.7	-8.2	0	0	109.2
269	H	35.3	Very low	32.4	Very low	189 Å²	189	158.4 Å²	158.4	88%	0.875	83%	0.825	S	S	*	*			trans	-141.5	113.6	151.5	-113.9	-76.2	0	0	0	109.1
270	H	36.7	Very low	32.1	Very low	156 Å²	156	163.6 Å²	163.6	72%	0.722	83%	0.831	S	S	*	*			trans	-80.5	160.9	152.9	-110.2	46.9	0	0	0	107.2
271	Q	32.3	Very low	31.7	Very low	158 Å²	158	157.7 Å²	157.7	74%	0.738	83%	0.827	S	S	*	*			cis	-157.1	-179.5	4.9	-156.1	172.5	19.2	0	0	110
272	Q	29.9	Very low	31.4	Very low	146 Å²	146	157.2 Å²	157.2	68%	0.682	83%	0.827	S	S	*	*			trans	107.8	97	138	-158.7	163.5	29.7	0	0	120
273	Q	31.2	Very low	32.2	Very low	156 Å²	156	151.4 Å²	151.4	73%	0.729	82%	0.821	S	S	*	*			trans	64	154.1	141.2	-64.3	165.9	-10.4	0	0	118
274	Q	29.8	Very low	32	Very low	170 Å²	170	149.1 Å²	149.1	79%	0.794	82%	0.819	S	S	*	*			cis	-160.1	146.9	26.7	-151.4	169	73.9	0	0	113.6
275	A	28.9	Very low	32.1	Very low	93 Å²	93	145.1 Å²	145.1	77%	0.769	82%	0.815	S	S	*	*			trans	61.7	144.2	151.3	0	0	0	0	0	125.9
276	A	28.2	Very low	32.7	Very low	110 Å²	110	142 Å²	142	91%	0.909	81%	0.811	S	S	*	*			trans	65.1	142.7	159.3	0	0	0	0	0	121.1
277	G	26.8	Very low	32.6	Very low	80 Å²	80	137.2 Å²	137.2	83%	0.825	81%	0.809	S	S	*	*			cis	166.8	133.5	-12.6	0	0	0	0	0	115
278	G	27.6	Very low	32.8	Very low	87 Å²	87	138.1 Å²	138.1	90%	0.897	81%	0.81	S	S	*	*			trans	82.4	152	175.8	0	0	0	0	0	115.8
279	S	26.9	Very low	33.4	Very low	125 Å²	125	135.1 Å²	135.1	87%	0.874	81%	0.806	S	S	*	*			cis	-148	-170.5	-2.7	-167.8	0	0	0	0	111
280	E	30.3	Very low	33.1	Very low	179 Å²	179	134.3 Å²	134.3	84%	0.836	81%	0.808	S	S	*	*			trans	-97	158.2	-152.2	-50.4	179.3	123.4	0	0	118.1
281	S	28.9	Very low	32.9	Very low	119 Å²	119	133 Å²	133	83%	0.832	81%	0.811	S	S	*	*				178.2	148	127.8	33.5	0	0	0	0	114.3
282	H	30.4	Very low	33.5	Very low	186 Å²	186	131.1 Å²	131.1	86%	0.861	81%	0.812	S	S	*	*			trans	-112.2	-170.7	172.4	-72.9	-81.1	0	0	0	109.6
283	P	49.7	Very low	33.5	Very low	120 Å²	120	129.3 Å²	129.3	78%	0.779	82%	0.816	S	S	*	*			cis	-126.5	-152.4	-6.9	45.8	-28.1	0	0	0	111.3
284	V	31.1	Very low	33.4	Very low	131 Å²	131	129.4 Å²	129.4	79%	0.794	82%	0.821	S	S	*	*			cis	-153.6	178.2	-8	84.9	0	0	0	0	109.9
285	L	36.8	Very low	33.3	Very low	154 Å²	154	130.4 Å²	130.4	81%	0.806	83%	0.825	S	S	*	*			trans	-121.9	163.2	162.8	-80.8	168.1	0	0	0	110.6
286	P	48	Very low	33.2	Very low	124 Å²	124	129.7 Å²	129.7	81%	0.805	83%	0.827	S	S	*	*			trans	-128.1	160.8	151.8	32.4	-17.7	0	0	0	114.9
287	T	30.8	Very low	33.1	Very low	139 Å²	139	134.4 Å²	134.4	85%	0.853	83%	0.83	S	S	*	*			trans	-124.5	164	-172	-50.8	0	0	0	0	110.7
288	A	35.9	Very low	33.1	Very low	89 Å²	89	134.2 Å²	134.2	74%	0.736	83%	0.828	S	S	*	*			trans	-80.3	158.5	177.9	0	0	0	0	0	114.5
289	P	45.6	Very low	33.1	Very low	126 Å²	126	134.7 Å²	134.7	82%	0.818	82%	0.824	S	S	*	*			trans	-110.7	-174.2	166.3	38.7	-28.9	0	0	0	113.9
290	L	30.2	Very low	33.1	Very low	172 Å²	172	133.9 Å²	133.9	90%	0.901	82%	0.818	S	S	*	*			trans	-119.8	175.5	-160.4	-67.8	166.1	0	0	0	115.4
291	T	32.7	Very low	33.1	Very low	130 Å²	130	135 Å²	135	80%	0.798	82%	0.823	S	S	*	*			trans	-83.6	174.2	-179.7	52.5	0	0	0	0	114.9
292	P	44.4	Very low	33.3	Very low	117 Å²	117	137.4 Å²	137.4	76%	0.76	82%	0.821	S	S	*	*				-149.2	154.6	111.2	37.8	-22	0	0	0	118.2
293	S	29	Very low	33.4	Very low	109 Å²	109	134.6 Å²	134.6	76%	0.762	82%	0.819	S	S	*	*			trans	32.5	150.1	144.6	-49.9	0	0	0	0	123
294	L	28.9	Very low	32.3	Very low	157 Å²	157	139.7 Å²	139.7	82%	0.822	82%	0.823	S	S	*	*			cis	-151.1	-172.5	49.1	-91.2	171.2	0	0	0	115.6
295	H	28.8	Very low	32.4	Very low	192 Å²	192	143 Å²	143	89%	0.889	83%	0.829	S	S	*	*			trans	-73.7	163	-161.4	-59.8	-30.4	0	0	0	120
296	G	25.7	Very low	32	Very low	78 Å²	78	146.5 Å²	146.5	80%	0.804	83%	0.832	S	S	*	*			trans	178.9	130.8	154.2	0	0	0	0	0	112.7
297	E	27.8	Very low	31.2	Very low	208 Å²	208	143.9 Å²	143.9	97%	0.972	83%	0.827	S	S	*	*			trans	-103.5	155.8	176.6	-64.5	-170.6	99.4	0	0	112.2
298	G	26.3	Very low	31.5	Very low	77 Å²	77	145.6 Å²	145.6	79%	0.794	83%	0.826	S	S	*	*			trans	157.6	98.1	165.6	0	0	0	0	0	119.2
299	A	27.1	Very low	31.3	Very low	97 Å²	97	147.6 Å²	147.6	80%	0.802	82%	0.824	S	S	*	*			trans	32.4	106.1	145.8	0	0	0	0	0	123
300	S	27	Very low	31.1	Very low	107 Å²	107	153.8 Å²	153.8	75%	0.748	83%	0.831	S	S	*	*				45.6	118.1	129.7	64	0	0	0	0	123.4
301	Q	29.5	Very low	31.8	Very low	203 Å²	203	150.3 Å²	150.3	95%	0.949	81%	0.813	S	S	*	*				-162.4	154.6	127.9	-110.4	163.7	93.9	0	0	111.3
302	Q	33.1	Very low	32.3	Very low	169 Å²	169	147.4 Å²	147.4	79%	0.79	80%	0.803	S	S	*	*			trans	-86.8	161.6	175.7	-64.2	-166.5	-2	0	0	111.7
303	P	33.8	Very low	32.3	Very low	127 Å²	127	145 Å²	145	83%	0.825	79%	0.787	S	S	*	*				-143.6	134.9	95.5	34.3	-18.1	0	0	0	116.8
304	R	25.7	Very low	33.1	Very low	228 Å²	228	146.8 Å²	146.8	86%	0.86	78%	0.783	S	S	*	*			trans	15	118.1	151.4	-62.5	-178	175.4	-172.3	-2.5	119.9
305	H	33.1	Very low	33.7	Very low	199 Å²	199	143.3 Å²	143.3	92%	0.921	77%	0.77	S	S	*	*			trans	-64.8	145.1	154.3	-80	-91.5	0	0	0	112.5
306	R	29.6	Very low	34.6	Very low	228 Å²	228	141.2 Å²	141.2	86%	0.86	76%	0.755	S	S	*	*			trans	-138	99.9	156.2	-171	-179	-170.1	-178.1	3.7	109.6
307	G	30.8	Very low	35.5	Very low	69 Å²	69	144.2 Å²	144.2	71%	0.711	75%	0.748	S	S	*	*			trans	-86.1	157.3	171.7	0	0	0	0	0	112.4
308	Q	37.3	Very low	36	Very low	176 Å²	176	139.4 Å²	139.4	82%	0.822	73%	0.729	S	S	*	*			trans	-137.4	128.2	159.8	-75.2	-170.2	-44.3	0	0	109.2
309	N	32.1	Very low	36.6	Very low	130 Å²	130	142.9 Å²	142.9	70%	0.695	73%	0.729	S	S	*	*			trans	-77.3	158.7	-176.9	-73.7	-8.6	0	0	0	112.3	D311	N309-D311 WeakPolarHBondContact CB-OD2 2.99Å; N309-D311 PolarHBondContact ND2-OD2 3.5Å
310	R	40.8	Very low	37.5	Very low	257 Å²	257	144.1 Å²	144.1	97%	0.97	73%	0.727	S	S	*	*			trans	-107.1	85.7	162.1	-82.3	-179	155.4	-165	-6.2	109.4
311	D	44.4	Very low	38	Very low	98 Å²	98	143.4 Å²	143.4	52%	0.524	73%	0.728	S	S	.	*	P	Polyproline II helix	trans	-84.8	139.6	-172.8	-71.7	-54.1	0	0	0	114.8	K233 N309	K233-D311 PolarHBondContact NZ-O 2.88Å; N309-D311 WeakPolarHBondContact CB-OD2 2.99Å; N309-D311 PolarHBondContact ND2-OD2 3.5Å
312	A	43.9	Very low	38.4	Very low	70 Å²	70	139.9 Å²	139.9	58%	0.579	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-77.5	161	172.2	0	0	0	0	0	110.9	Q314	A312-Q314 PolarHBondContact O-N 3.24Å
313	P	44.4	Very low	38.7	Very low	65 Å²	65	139.4 Å²	139.4	42%	0.422	72%	0.717	S	S	.	*	P	Polyproline II helix	trans	-59.7	123.5	169.5	26.6	-33.8	0	0	0	110.1
314	Q	44.5	Very low	38.7	Very low	148 Å²	148	138.6 Å²	138.6	69%	0.692	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-77.7	127.5	-179.1	-71.6	-76.7	-10.9	0	0	110.3	A312	A312-Q314 PolarHBondContact O-N 3.24Å
315	P	41.8	Very low	39.1	Very low	84 Å²	84	138.7 Å²	138.7	55%	0.545	71%	0.713	S	S	.	*	P	Polyproline II helix	trans	-72.9	139.5	167	31.2	-32.4	0	0	0	109.9
316	Y	48.3	Very low	39.4	Very low	147 Å²	147	136.5 Å²	136.5	58%	0.576	71%	0.709	S	S	*	*	B	Isolated β-bridge	trans	-120.2	127.5	175.9	172.9	-102.1	0	0	0	110.3	L318	Y316-L318 HydrophobicContact CE1-CB 4.19Å; Y316-L318 HydrophobicContact CE1-CD1 3.89Å
317	E	43.7	Very low	39.9	Very low	141 Å²	141	133.5 Å²	133.5	66%	0.659	70%	0.704	S	S	*	*			trans	-96.4	122.5	175.7	-65.8	-168.5	160.9	0	0	110.8
318	L	38.6	Very low	40.1	Very low	108 Å²	108	136.6 Å²	136.6	57%	0.565	71%	0.709	S	S	*	*			trans	-89.5	108.7	177.4	-172.3	77.7	0	0	0	110.7	Y316 T320	Y316-L318 HydrophobicContact CE1-CB 4.19Å; Y316-L318 HydrophobicContact CE1-CD1 3.89Å; L318-T320 PolarHBondContact O-N 2.77Å; L318-T320 PolarHBondContact O-OG1 3.4Å
319	N	39.7	Very low	39.9	Very low	149 Å²	149	134.4 Å²	134.4	80%	0.797	71%	0.708	S	S	*	*			trans	-55.3	100.9	172.9	-85.6	-36	0	0	0	111.1	A321	N319-A321 PolarHBondContact O-N 3.15Å
320	T	45.1	Very low	39.9	Very low	123 Å²	123	133.1 Å²	133.1	76%	0.755	71%	0.708	S	S	*	*			trans	-81	30	-169.5	-24.9	0	0	0	0	113.7	L318 I322	L318-T320 PolarHBondContact O-N 2.77Å; L318-T320 PolarHBondContact O-OG1 3.4Å; T320-I322 VanDerWaalsContact C-N 3.32Å; T320-I322 PolarHBondContact O-N 2.69Å
321	A	37.4	Very low	39.7	Very low	92 Å²	92	126.8 Å²	126.8	76%	0.76	70%	0.701	S	S	*	*			trans	-92	55.8	179.8	0	0	0	0	0	111.4	N319 N323	N319-A321 PolarHBondContact O-N 3.15Å; A321-N323 PolarHBondContact O-N 3.22Å
322	I	39	Very low	39.1	Very low	130 Å²	130	130 Å²	130	67%	0.667	72%	0.717	S	S	*	*			trans	-76.3	95	177	-54.8	178.3	0	0	0	109	T320 C324	T320-I322 VanDerWaalsContact C-N 3.32Å; T320-I322 PolarHBondContact O-N 2.69Å; I322-C324 PolarHBondContact O-N 2.81Å
323	N	37.9	Very low	39	Very low	158 Å²	158	132.4 Å²	132.4	85%	0.845	73%	0.727	S	S	*	*			trans	-66.6	113.1	156.3	-91.7	-8.8	0	0	0	107.5	A321 R325	A321-N323 PolarHBondContact O-N 3.22Å; N323-R325 PolarHBondContact O-N 3.42Å
324	C	34.1	Very low	38.3	Very low	110 Å²	110	135.2 Å²	135.2	74%	0.743	75%	0.748	S	S	*	*			trans	-67.3	122.4	176.2	-58.2	0	0	0	0	109.2	I322	I322-C324 PolarHBondContact O-N 2.81Å
325	R	34.4	Very low	37.7	Very low	230 Å²	230	132.1 Å²	132.1	87%	0.868	75%	0.747	S	S	*	*			trans	-125.8	124.7	157.5	-86.6	-165.7	161.2	-168	-6.9	107.7	N323 E327	N323-R325 PolarHBondContact O-N 3.42Å; R325-E327 PolarHBondContact O-N 2.7Å; R325-E327 VanDerWaalsContact O-N 3.13Å
326	D	40.3	Very low	37.4	Very low	154 Å²	154	135.9 Å²	135.9	82%	0.824	76%	0.762	S	S	*	*			trans	-79.7	89.4	178	-63.1	-69.1	0	0	0	109.6
327	E	39	Very low	36.6	Very low	164 Å²	164	138.4 Å²	138.4	77%	0.766	78%	0.779	S	S	*	*			trans	-126.1	103	168.1	-74	-70	175.3	0	0	107.5	R325	R325-E327 PolarHBondContact O-N 2.7Å; R325-E327 VanDerWaalsContact O-N 3.13Å
328	V	35.9	Very low	35.9	Very low	135 Å²	135	135.2 Å²	135.2	82%	0.818	79%	0.785	S	S	*	*			trans	-92.2	107.9	-176.3	179.3	0	0	0	0	109.7
329	V	33.3	Very low	36.7	Very low	130 Å²	130	136 Å²	136	79%	0.788	80%	0.796	S	S	*	*			trans	-115.5	119.4	174	-176	0	0	0	0	109.7
330	S	32.4	Very low	36.3	Very low	102 Å²	102	134.8 Å²	134.8	71%	0.713	80%	0.799	S	S	*	*			trans	-85.7	133.2	-178.9	-64	0	0	0	0	111.7
331	P	35.3	Very low	35.5	Very low	125 Å²	125	132.6 Å²	132.6	81%	0.812	80%	0.801	S	S	*	*			trans	-86.9	114.5	176.3	32.3	-31.7	0	0	0	112.1
332	L	31.3	Very low	35.1	Very low	166 Å²	166	133.3 Å²	133.3	87%	0.869	80%	0.801	S	S	*	*			trans	-123.2	139.6	159.6	-74.1	176.9	0	0	0	109.5
333	P	42	Very low	34.7	Very low	120 Å²	120	134.5 Å²	134.5	78%	0.779	81%	0.807	S	S	*	*			trans	-98.5	130.2	-176.2	34.9	-31.4	0	0	0	113.5
334	S	30.8	Very low	34.2	Very low	123 Å²	123	132.2 Å²	132.2	86%	0.86	80%	0.804	S	S	*	*			trans	-172.6	146.3	140.5	-122.1	0	0	0	0	115.2
335	A	30.5	Very low	34.2	Very low	83 Å²	83	131.2 Å²	131.2	69%	0.686	80%	0.804	S	S	*	*			trans	45.5	118.6	149	0	0	0	0	0	123.1
336	L	37.3	Very low	34.6	Very low	163 Å²	163	126.2 Å²	126.2	85%	0.853	80%	0.801	S	S	*	*				40.5	110.8	129.6	-62.1	168.1	0	0	0	120.5
337	Q	31.3	Very low	35.5	Very low	200 Å²	200	124.5 Å²	124.5	94%	0.935	80%	0.798	S	S	*	*				172.1	154.8	115.1	-95.4	171.7	14.1	0	0	114
338	G	29	Very low	35.2	Very low	75 Å²	75	121.5 Å²	121.5	77%	0.773	80%	0.801	S	S	*	*			trans	82.6	130.4	143.8	0	0	0	0	0	120
339	P	54.9	Low	35	Very low	123 Å²	123	119.7 Å²	119.7	80%	0.799	80%	0.801	S	S	*	*			trans	-113	150.8	171.3	38.2	-29.6	0	0	0	114.3
340	S	30.6	Very low	34.9	Very low	124 Å²	124	118.5 Å²	118.5	87%	0.867	80%	0.798	S	S	*	*			trans	173	126.1	138.6	-82.8	0	0	0	0	114.8
341	G	28.5	Very low	34.9	Very low	78 Å²	78	120.8 Å²	120.8	80%	0.804	81%	0.807	S	S	*	*			trans	63.8	178.5	149.7	0	0	0	0	0	119.6
342	S	29	Very low	34.7	Very low	107 Å²	107	121.3 Å²	121.3	75%	0.748	81%	0.809	S	S	*	*			cis	-164.5	146.5	-30.7	-151.6	0	0	0	0	111.5
343	L	30.7	Very low	34.7	Very low	154 Å²	154	118.2 Å²	118.2	81%	0.806	80%	0.801	S	S	*	*			trans	64.7	128.5	153.3	-72.2	164.1	0	0	0	123.2
344	S	28.4	Very low	34.1	Very low	110 Å²	110	117 Å²	117	77%	0.769	80%	0.801	S	S	*	*			trans	86	133	132.7	-63.6	0	0	0	0	123.6
345	A	32.3	Very low	34.9	Very low	90 Å²	90	117 Å²	117	74%	0.744	80%	0.798	S	S	*	*			trans	-92.3	-172	156.1	0	0	0	0	0	109.7
346	P	43.7	Very low	36.2	Very low	124 Å²	124	118.2 Å²	118.2	81%	0.805	80%	0.799	S	S	*	*				-148	-137.3	59.1	42	-15.7	0	0	0	113.9
347	P	59	Low	35.9	Very low	119 Å²	119	115.8 Å²	115.8	77%	0.773	80%	0.796	S	S	*	*				-140.4	-157.9	-121.9	44.2	-20.3	0	0	0	117.5
348	A	32.3	Very low	35.9	Very low	100 Å²	100	111.3 Å²	111.3	83%	0.826	79%	0.786	S	S	*	*			trans	82.1	158.7	164.6	0	0	0	0	0	117.4
349	A	31.8	Very low	36.1	Very low	98 Å²	98	113.4 Å²	113.4	81%	0.81	79%	0.789	S	S	*	*			cis	-143.8	166.3	9	0	0	0	0	0	116.1
350	S	31.5	Very low	35.1	Very low	105 Å²	105	112.5 Å²	112.5	73%	0.734	79%	0.786	S	S	*	*			trans	-54.9	162.9	178	52.4	0	0	0	0	120.4
351	V	33.8	Very low	35.3	Very low	149 Å²	149	116.9 Å²	116.9	90%	0.903	78%	0.783	S	S	*	*				-157.3	159.6	123.6	-96.4	0	0	0	0	112.4
352	T	30.3	Very low	35.6	Very low	137 Å²	137	121 Å²	121	84%	0.84	78%	0.781	S	S	*	*			trans	-113.6	-171.1	-179.9	54.9	0	0	0	0	110.3
353	S	31.2	Very low	35.9	Very low	100 Å²	100	127.7 Å²	127.7	70%	0.699	79%	0.79	S	S	*	*			cis	-166.2	138.3	16.7	55.8	0	0	0	0	114.8
354	A	29.1	Very low	36	Very low	94 Å²	94	129.9 Å²	129.9	78%	0.777	79%	0.793	S	S	*	*				60	169.2	124.2	0	0	0	0	0	122.9
355	P	48.3	Very low	36.2	Very low	123 Å²	123	136.6 Å²	136.6	80%	0.799	80%	0.801	S	S	*	*			trans	-128.4	-112.8	-132.4	27.5	1.1	0	0	0	120.5
356	P	57	Low	36.2	Very low	110 Å²	110	141.5 Å²	141.5	71%	0.714	80%	0.801	S	S	*	*				-128.6	177.2	-113.4	41.5	-25.1	0	0	0	118.1
357	S	31.1	Very low	35.7	Very low	112 Å²	112	144.8 Å²	144.8	78%	0.783	80%	0.797	S	S	*	*			trans	167.6	143.2	130.9	52	0	0	0	0	119.7
358	S	31.8	Very low	34.5	Very low	106 Å²	106	145.2 Å²	145.2	74%	0.741	80%	0.798	S	S	*	*			trans	36.5	128	141.4	68.3	0	0	0	0	128.3
359	S	33	Very low	34.5	Very low	119 Å²	119	145.4 Å²	145.4	83%	0.832	79%	0.793	S	S	*	*				112.7	151.6	119.6	80.8	0	0	0	0	124.5
360	S	33.6	Very low	34.5	Very low	103 Å²	103	146 Å²	146	72%	0.72	79%	0.792	S	S	*	*			trans	101.1	87.1	146.1	-144.7	0	0	0	0	125.1
361	R	35.7	Very low	34.6	Very low	216 Å²	216	151 Å²	151	82%	0.815	80%	0.8	S	S	*	*				49.2	149.8	124.5	-61.7	-176.2	175.5	-177.9	1	126.5
362	H	33.9	Very low	34.7	Very low	166 Å²	166	149.4 Å²	149.4	77%	0.769	80%	0.796	S	S	*	*			trans	79.9	154.5	160.6	-59	-57.9	0	0	0	118.2
363	R	34.7	Very low	34.9	Very low	246 Å²	246	152.2 Å²	152.2	93%	0.928	80%	0.799	S	S	*	*			cis	-139.5	-164.4	6.2	-144.1	171.3	-174.8	167.4	1.2	112.3
364	K	34.3	Very low	34.9	Very low	200 Å²	200	152.6 Å²	152.6	87%	0.87	81%	0.808	S	S	*	*			trans	-138.2	136.4	-158	179.4	-172	-173.7	178.1	0	113.8
365	R	31.4	Very low	35	Very low	251 Å²	251	151.6 Å²	151.6	95%	0.947	81%	0.807	S	S	*	*			trans	-150.3	167.2	161.1	-139.5	175.9	-170.3	-123.9	2.8	112.7
366	R	31.6	Very low	34.3	Very low	194 Å²	194	150.3 Å²	150.3	73%	0.732	81%	0.807	S	S	*	*			trans	-155.1	157.7	-166.4	-170	-154.8	176.4	-176.9	2.1	110.5
367	R	34.5	Very low	33.2	Very low	192 Å²	192	157.3 Å²	157.3	73%	0.725	82%	0.819	S	S	*	*			trans	73.1	153.8	171.5	-70.6	178.8	169.5	160.4	-7.4	114.6
368	T	33.1	Very low	33.2	Very low	129 Å²	129	155.7 Å²	155.7	79%	0.791	82%	0.82	S	S	*	*			cis	-147.5	176.1	9.5	-14.4	0	0	0	0	113.6
369	S	33	Very low	33.2	Very low	104 Å²	104	154.9 Å²	154.9	73%	0.727	83%	0.829	S	S	*	*			trans	-73.3	170.9	179.6	47.6	0	0	0	0	116.7
370	S	31.4	Very low	33	Very low	111 Å²	111	153.3 Å²	153.3	78%	0.776	83%	0.831	S	S	*	*			trans	-164.1	139.9	150.8	-85.8	0	0	0	0	114.5
371	K	33.7	Very low	33	Very low	208 Å²	208	158 Å²	158	90%	0.904	84%	0.841	S	S	*	*			trans	63.9	147.8	158.3	-73.4	179.9	176.6	-178.9	0	119.2
372	S	36.7	Very low	32.7	Very low	117 Å²	117	151.5 Å²	151.5	82%	0.818	84%	0.841	S	S	*	*			cis	-152.6	158	-1.8	38.2	0	0	0	0	112.7
373	E	33.3	Very low	32.7	Very low	196 Å²	196	149 Å²	149	92%	0.916	84%	0.842	S	S	*	*			trans	-94.4	156	175.6	-61.7	178.1	91.7	0	0	113.8
374	A	32.5	Very low	33.1	Very low	108 Å²	108	147.6 Å²	147.6	89%	0.893	84%	0.843	S	S	*	*			trans	174.2	141.8	133	0	0	0	0	0	109.8
375	G	30.8	Very low	33	Very low	72 Å²	72	146.8 Å²	146.8	74%	0.742	84%	0.842	S	S	*	*			cis	178.7	152.4	-10.3	0	0	0	0	0	113.1
376	A	32.4	Very low	33.6	Very low	97 Å²	97	144.6 Å²	144.6	80%	0.802	84%	0.84	S	S	*	*			trans	44.1	111.8	158.1	0	0	0	0	0	122.3
377	R	35.3	Very low	33.5	Very low	257 Å²	257	139.3 Å²	139.3	97%	0.97	85%	0.846	S	S	*	*				160.4	138.3	127.2	-87.6	167	-173.4	-150.2	1.3	110.4
378	G	30.8	Very low	34	Very low	77 Å²	77	142.6 Å²	142.6	79%	0.794	86%	0.858	S	S	*	*			cis	157	82.3	-9.3	0	0	0	0	0	114.7
379	G	31.6	Very low	33.9	Very low	90 Å²	90	140.2 Å²	140.2	93%	0.928	86%	0.859	S	S	*	*			trans	79.1	145.5	162.7	0	0	0	0	0	118
380	G	29.5	Very low	34.3	Very low	85 Å²	85	140.5 Å²	140.5	88%	0.876	86%	0.861	S	S	*	*			trans	150.4	99.1	173.7	0	0	0	0	0	113.5
381	Q	33.8	Very low	34.4	Very low	203 Å²	203	147.5 Å²	147.5	95%	0.949	87%	0.871	S	S	*	*			trans	-111.6	151.8	177.6	-91	-176.6	-22.3	0	0	111.9
382	G	29.4	Very low	34.6	Very low	79 Å²	79	141.4 Å²	141.4	81%	0.814	87%	0.867	S	S	*	*			trans	79.4	158.6	170.4	0	0	0	0	0	114.6
383	S	32.7	Very low	34.3	Very low	112 Å²	112	139 Å²	139	78%	0.783	86%	0.86	S	S	*	*			cis	-146.5	169	-12.6	65.1	0	0	0	0	109.2
384	K	43	Very low	34.9	Very low	217 Å²	217	141.8 Å²	141.8	94%	0.943	86%	0.863	S	S	*	*			trans	-109.9	117.3	171.2	-97.2	-173.7	176.3	177.2	0	109.4
385	E	33.3	Very low	35.2	Very low	183 Å²	183	144 Å²	144	86%	0.855	85%	0.854	S	S	*	*			trans	-126.2	152.9	169.5	-168.3	160.7	-169.8	0	0	111.4
386	K	43.8	Very low	35.7	Very low	206 Å²	206	149.3 Å²	149.3	90%	0.896	86%	0.859	S	S	*	*			trans	-105.9	90.6	-174.5	-72.3	176.7	176.6	172.6	0	111	R388	K386-R388 PolarHBondContact O-N 3.39Å
387	G	29.9	Very low	36.1	Very low	83 Å²	83	152 Å²	152	86%	0.856	86%	0.855	S	S	*	*			trans	-74	116.1	166.4	0	0	0	0	0	111.8
388	R	43.5	Very low	36.5	Very low	260 Å²	260	148.5 Å²	148.5	98%	0.981	85%	0.849	S	S	*	*			trans	-85.7	123.6	158.1	-92.3	-171.9	170.3	-145.4	1.2	108.2	K386	K386-R388 PolarHBondContact O-N 3.39Å
389	G	31.2	Very low	37.4	Very low	79 Å²	79	152.5 Å²	152.5	81%	0.814	85%	0.847	S	S	*	*			trans	-138.6	116.1	170.9	0	0	0	0	0	110.2
390	S	41.7	Very low	38.8	Very low	110 Å²	110	154 Å²	154	77%	0.769	84%	0.84	S	S	*	*			trans	-89.4	142.4	159.1	-176.6	0	0	0	0	107.9
391	W	33.3	Very low	40.6	Very low	258 Å²	258	153.9 Å²	153.9	98%	0.977	82%	0.819	S	S	*	*			trans	-176.7	154.8	137.1	-90.5	112	0	0	0	107.9
392	G	38	Very low	42.2	Very low	81 Å²	81	147.9 Å²	147.9	84%	0.835	80%	0.798	S	S	*	*			trans	-87.4	151.6	-161.9	0	0	0	0	0	116
393	G	31.3	Very low	43.7	Very low	65 Å²	65	149.4 Å²	149.4	67%	0.67	80%	0.803	S	S	*	*			trans	-160.7	104.1	167.6	0	0	0	0	0	111.3	H395	G393-H395 PolarHBondContact O-N 3Å
394	R	45.3	Very low	45.4	Very low	256 Å²	256	145.6 Å²	145.6	97%	0.966	78%	0.778	S	S	*	*			trans	-77.1	88.6	178.1	-80.8	-172.7	176	-178.2	0.2	110.8
395	H	38.7	Very low	46.7	Very low	153 Å²	153	138.9 Å²	138.9	71%	0.708	77%	0.77	S	S	*	*			trans	-104.5	129.8	161.5	-69.5	-77.6	0	0	0	110.3	G393 H397	G393-H395 PolarHBondContact O-N 3Å; H395-H397 PolarHBondContact O-N 3.1Å
396	H	41	Very low	48.7	Very low	185 Å²	185	134 Å²	134	86%	0.856	75%	0.746	S	S	*	*			trans	-67.5	99.5	171.9	-80.2	-89.8	0	0	0	109.4	H398	H396-H398 PolarHBondContact O-N 2.92Å
397	H	41.1	Very low	49.7	Very low	154 Å²	154	131.7 Å²	131.7	71%	0.713	74%	0.736	S	S	*	*			trans	-66.6	95.4	173.2	-74.4	-63.6	0	0	0	110.5	H395 H399	H395-H397 PolarHBondContact O-N 3.1Å; H397-H399 PolarHBondContact O-N 3.38Å
398	H	44.2	Very low	51.1	Low	182 Å²	182	137.2 Å²	137.2	84%	0.843	74%	0.737	S	S	*	*			trans	-61.8	88.1	153.7	-77.7	-62.6	0	0	0	108.4	H396 P400	H396-H398 PolarHBondContact O-N 2.92Å; H398-P400 VanDerWaalsContact O-CD 3.25Å; H398-P400 WeakPolarHBondContact O-CD 3.26Å; H398-P400 VanDerWaalsContact O-N 3.14Å
399	H	48.8	Very low	51.9	Low	161 Å²	161	133.3 Å²	133.3	75%	0.745	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-53.5	118.7	171.2	-72.3	-74.1	0	0	0	109.1	H397 L401	H397-H399 PolarHBondContact O-N 3.38Å; H399-L401 PolarHBondContact O-N 3.02Å
400	P	61.3	Low	53.2	Low	123 Å²	123	133.8 Å²	133.8	80%	0.799	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-60.2	126.7	178.4	-24.3	35.1	0	0	0	109.8	H398	H398-P400 VanDerWaalsContact O-CD 3.25Å; H398-P400 WeakPolarHBondContact O-CD 3.26Å; H398-P400 VanDerWaalsContact O-N 3.14Å
401	L	66.9	Low	54.6	Low	81 Å²	81	136.6 Å²	136.6	42%	0.424	70%	0.704	S	S	.	*	P	Polyproline II helix	trans	-58.5	134.9	175	-71.8	177.9	0	0	0	109.2	H399 A403 Y634 K635 Y638	H399-L401 PolarHBondContact O-N 3.02Å; L401-A403 PolarHBondContact O-N 2.95Å; L401-Y634 HydrophobicContact CB-CE1 4.19Å; L401-K635 HydrophobicContact CD1-CG 4.2Å; L401-Y638 HydrophobicContact CD2-CD1 4.31Å; L401-Y638 HydrophobicContact CD2-CD2 3.99Å; L401-Y638 HydrophobicContact CD2-CG 3.72Å
402	P	67.5	Low	56.7	Low	77 Å²	77	130.4 Å²	130.4	50%	0.5	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-57.4	134.5	-173.8	-24.5	32.4	0	0	0	112.5	A404 Y634	P402-A404 PolarHBondContact O-N 3.12Å; P402-Y634 WeakPolarHBondContact O-CE1 3.46Å; P402-Y634 PolarHBondContact O-OH 3.38Å
403	A	60.8	Low	59.2	Low	112 Å²	112	129.1 Å²	129.1	93%	0.926	66%	0.656	S	S	*	*			trans	-63.2	109.7	-176.8	0	0	0	0	0	111.4	L401	L401-A403 PolarHBondContact O-N 2.95Å
404	A	69.8	Low	62.2	Low	31 Å²	31	127.6 Å²	127.6	26%	0.256	63%	0.631	S	S	.	*			trans	-108.3	129.9	-175.3	0	0	0	0	0	112.3	P402 F406 Y634	P402-A404 PolarHBondContact O-N 3.12Å; A404-F406 HydrophobicContact CB-CE1 4.34Å; A404-F406 HydrophobicContact CB-CE2 4.32Å; A404-F406 HydrophobicContact CB-CZ 3.93Å; A404-F406 VanDerWaalsContact O-CD2 3.24Å; A404-F406 WeakPolarHBondContact O-CD2 3.49Å; A404-F406 VanDerWaalsContact O-CE2 3.24Å; A404-F406 WeakPolarHBondContact O-CE2 3.37Å; A404-F406 PolarHBondContact O-N 2.88Å; A404-Y634 HydrophobicContact CB-CD2 4.08Å; A404-Y634 HydrophobicContact CB-CE1 4.26Å; A404-Y634 HydrophobicContact CB-CE2 3.69Å
405	G	69.4	Low	64.7	Low	76 Å²	76	119.4 Å²	119.4	78%	0.784	60%	0.601	S	S	*	*			trans	-81.3	104.1	178.2	0	0	0	0	0	113.4	K407	G405-K407 PolarHBondContact O-N 3.13Å
406	F	74.8	Confident	67.3	Low	81 Å²	81	112.5 Å²	112.5	36%	0.355	57%	0.571	S	S	.	*			trans	-83.7	111.8	-178.6	-58.2	-74.2	0	0	0	113	A404 T630 E631 Y634	A404-F406 HydrophobicContact CB-CE1 4.34Å; A404-F406 HydrophobicContact CB-CE2 4.32Å; A404-F406 HydrophobicContact CB-CZ 3.93Å; A404-F406 VanDerWaalsContact O-CD2 3.24Å; A404-F406 WeakPolarHBondContact O-CD2 3.49Å; A404-F406 VanDerWaalsContact O-CE2 3.24Å; A404-F406 WeakPolarHBondContact O-CE2 3.37Å; A404-F406 PolarHBondContact O-N 2.88Å; F406-T630 VanDerWaalsContact CE1-C 3.5Å; F406-T630 WeakPolarHBondContact CE1-O 3.5Å; F406-E631 HydrophobicContact CE2-CB 4.09Å; F406-E631 HydrophobicContact CE2-CG 4.14Å; F406-E631 HydrophobicContact CZ-CB 4.09Å; F406-E631 HydrophobicContact CZ-CG 4.27Å; F406-Y634 HydrophobicContact CE1-CD2 4.47Å; F406-Y634 HydrophobicContact CE1-CG 4.25Å; F406-Y634 HydrophobicContact CZ-CD1 4.37Å; F406-Y634 HydrophobicContact CZ-CD2 4.49Å; F406-Y634 AromaticContact CZ-CG 4Å; F406-Y634 HydrophobicContact CZ-CG 4Å
407	K	64.6	Low	69.9	Low	157 Å²	157	104 Å²	104	68%	0.683	53%	0.532	S	S	*	.			trans	-85.7	121.6	178.4	-67.2	-176.7	177.8	-177.4	0	111.5	G405 Q409 Q410	G405-K407 PolarHBondContact O-N 3.13Å; K407-Q409 VanDerWaalsContact C-N 3.25Å; K407-Q409 PolarHBondContact O-N 3.41Å; K407-Q410 HydrophobicContact CB-CG 4.18Å; K407-Q410 WeakPolarHBondContact O-CB 3.48Å; K407-Q410 PolarHBondContact O-N 2.96Å
408	K	60.4	Low	72.3	Confident	199 Å²	199	98.2 Å²	98.2	87%	0.865	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-48	-37.5	-175.5	-73.8	-177.7	177.1	176.4	0	115.2	Q410 R411	K408-Q410 PolarHBondContact O-N 3.29Å; K408-R411 PolarHBondContact O-N 2.87Å
409	Q	58.9	Low	74.4	Confident	178 Å²	178	93 Å²	93	83%	0.832	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-61.9	-25	178.3	-74.2	-174	-11.8	0	0	114.2	K407 R411 K412	K407-Q409 VanDerWaalsContact C-N 3.25Å; K407-Q409 PolarHBondContact O-N 3.41Å; Q409-R411 PolarHBondContact O-N 2.9Å; Q409-K412 PolarHBondContact O-N 3.23Å
410	Q	60.3	Low	76.4	Confident	89 Å²	89	93.1 Å²	93.1	42%	0.416	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-67.6	-20.2	-177.8	-64.3	-63.1	-23.8	0	0	113.3	K407 K408 K412 L629	K407-Q410 HydrophobicContact CB-CG 4.18Å; K407-Q410 WeakPolarHBondContact O-CB 3.48Å; K407-Q410 PolarHBondContact O-N 2.96Å; K408-Q410 PolarHBondContact O-N 3.29Å; Q410-K412 PolarHBondContact O-N 3.13Å; Q410-L629 HydrophobicContact CB-CD2 3.86Å; Q410-L629 HydrophobicContact CG-CD2 4.45Å; Q410-L629 VanDerWaalsContact OE1-CD2 3.29Å
411	R	70.1	Confident	77.7	Confident	169 Å²	169	88.3 Å²	88.3	64%	0.638	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-62.7	-23.6	175.7	-69.1	-169.5	176.4	-162.7	-1.4	113.7	K408 Q409 F413 Q414 T630	K408-R411 PolarHBondContact O-N 2.87Å; Q409-R411 PolarHBondContact O-N 2.9Å; R411-F413 PolarHBondContact O-N 3.38Å; R411-F413 VanDerWaalsContact O-N 3.09Å; R411-Q414 PolarHBondContact O-N 2.93Å; R411-T630 HydrophobicContact CG-CG2 4.16Å
412	K	76.5	Confident	78.8	Confident	129 Å²	129	85.1 Å²	85.1	56%	0.561	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-56.2	-32.6	-172.6	-173.8	174	179.2	177	0	113.7	Q409 Q410 N417	Q409-K412 PolarHBondContact O-N 3.23Å; Q410-K412 PolarHBondContact O-N 3.13Å; K412-N417 PolarHBondContact O-ND2 3.36Å
413	F	91.6	Very high	79.8	Confident	54 Å²	54	84.4 Å²	84.4	24%	0.237	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-127.6	33.8	-175.5	-58.2	-55.7	0	0	0	112.8	R411 Y415 G416 N417 Y418	R411-F413 PolarHBondContact O-N 3.38Å; R411-F413 VanDerWaalsContact O-N 3.09Å; F413-Y415 PolarHBondContact O-N 2.91Å; F413-G416 PolarHBondContact O-N 2.77Å; F413-G416 VanDerWaalsContact O-N 3.14Å; F413-N417 VanDerWaalsContact C-OD1 3.28Å; F413-N417 VanDerWaalsContact CA-OD1 3.26Å; F413-N417 WeakPolarHBondContact CA-OD1 3.45Å; F413-N417 WeakPolarHBondContact CD1-O 3.43Å; F413-N417 WeakPolarHBondContact CE1-O 3.47Å; F413-Y418 HydrophobicContact CB-CD1 3.82Å; F413-Y418 HydrophobicContact CB-CE1 3.62Å; F413-Y418 HydrophobicContact CD1-CD1 4.15Å; F413-Y418 AromaticContact CD2-CD1 3.82Å; F413-Y418 HydrophobicContact CD2-CD1 3.82Å; F413-Y418 HydrophobicContact CD2-CE1 4.01Å; F413-Y418 HydrophobicContact CE2-CD1 4.39Å; F413-Y418 AromaticContact CG-CD1 3.67Å; F413-Y418 HydrophobicContact CG-CD1 3.67Å; F413-Y418 AromaticContact CG-CE1 3.92Å; F413-Y418 HydrophobicContact CG-CE1 3.92Å; F413-Y418 HydrophobicContact CG-CG 4.48Å
414	Q	94.2	Very high	81	Confident	33 Å²	33	83.7 Å²	83.7	15%	0.154	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23	-174.1	70.7	170.9	82.5	0	0	114.3	R411 N590 T630 I633	R411-Q414 PolarHBondContact O-N 2.93Å; Q414-N590 PolarHBondContact NE2-OD1 2.69Å; Q414-N590 PolarHBondContact O-ND2 3.1Å; Q414-T630 HydrophobicContact CB-CG2 4.09Å; Q414-I633 HydrophobicContact CB-CD1 3.94Å
415	Y	96.9	Very high	81.9	Confident	84 Å²	84	82.4 Å²	82.4	33%	0.329	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	7.6	178.2	-53.2	-72	0	0	0	113.1	F413 N417 I475 W586 N590 W591	F413-Y415 PolarHBondContact O-N 2.91Å; Y415-N417 PolarHBondContact N-OD1 3.38Å; Y415-N417 PolarHBondContact O-N 3.22Å; Y415-I475 HydrophobicContact CD1-CD1 4.25Å; Y415-I475 HydrophobicContact CD2-CG2 4.27Å; Y415-I475 HydrophobicContact CE1-CD1 4.22Å; Y415-I475 HydrophobicContact CG-CD1 4.48Å; Y415-I475 HydrophobicContact CG-CG2 4.09Å; Y415-W586 VanDerWaalsContact O-CB 3.3Å; Y415-W586 WeakPolarHBondContact O-CB 3.42Å; Y415-N590 HydrophobicContact CD1-CB 4.22Å; Y415-N590 HydrophobicContact CE1-CB 4.14Å; Y415-N590 WeakPolarHBondContact CE1-OD1 3.36Å; Y415-W591 AromaticContact CD1-CH2 3.68Å; Y415-W591 HydrophobicContact CD1-CH2 3.68Å; Y415-W591 HydrophobicContact CD1-CZ2 4.36Å; Y415-W591 HydrophobicContact CD1-CZ3 4.25Å; Y415-W591 AromaticContact CE1-CH2 3.68Å; Y415-W591 HydrophobicContact CE1-CH2 3.68Å; Y415-W591 AromaticContact CE1-CZ2 3.89Å; Y415-W591 HydrophobicContact CE1-CZ2 3.89Å; Y415-W591 HydrophobicContact CE1-CZ3 4.49Å
416	G	94.3	Very high	82.9	Confident	7 Å²	7	79.7 Å²	79.7	7%	0.072	37%	0.371	C	S	.	.	S	Bend	trans	75.7	9.3	-172.2	0	0	0	0	0	114.3	F413 Y418 W586	F413-G416 PolarHBondContact O-N 2.77Å; F413-G416 VanDerWaalsContact O-N 3.14Å; G416-Y418 WeakPolarHBondContact O-CD2 3.38Å; G416-Y418 PolarHBondContact O-N 2.79Å; G416-W586 VanDerWaalsContact CA-CD2 3.42Å
417	N	94.9	Very high	83.2	Confident	7 Å²	7	78.8 Å²	78.8	4%	0.037	37%	0.373	C	S	.	.			trans	-69.5	48.1	-179.5	58.8	-58.2	0	0	0	113.4	K412 F413 Y415 C419 D476 L479	K412-N417 PolarHBondContact O-ND2 3.36Å; F413-N417 VanDerWaalsContact C-OD1 3.28Å; F413-N417 VanDerWaalsContact CA-OD1 3.26Å; F413-N417 WeakPolarHBondContact CA-OD1 3.45Å; F413-N417 WeakPolarHBondContact CD1-O 3.43Å; F413-N417 WeakPolarHBondContact CE1-O 3.47Å; Y415-N417 PolarHBondContact N-OD1 3.38Å; Y415-N417 PolarHBondContact O-N 3.22Å; N417-C419 PolarHBondContact O-N 2.98Å; N417-D476 HydrophobicContact CB-CB 3.98Å; N417-D476 PolarHBondContact ND2-OD2 3.06Å; N417-L479 HydrophobicContact CB-CD1 3.75Å
418	Y	92.7	Very high	84	Confident	33 Å²	33	78 Å²	78	13%	0.129	39%	0.387	C	S	.	.			trans	-70	118.4	-179.5	-58.1	-80.4	0	0	0	110.9	F413 G416 K420 Y421 Y424 N453 W586 R626	F413-Y418 HydrophobicContact CB-CD1 3.82Å; F413-Y418 HydrophobicContact CB-CE1 3.62Å; F413-Y418 HydrophobicContact CD1-CD1 4.15Å; F413-Y418 AromaticContact CD2-CD1 3.82Å; F413-Y418 HydrophobicContact CD2-CD1 3.82Å; F413-Y418 HydrophobicContact CD2-CE1 4.01Å; F413-Y418 HydrophobicContact CE2-CD1 4.39Å; F413-Y418 AromaticContact CG-CD1 3.67Å; F413-Y418 HydrophobicContact CG-CD1 3.67Å; F413-Y418 AromaticContact CG-CE1 3.92Å; F413-Y418 HydrophobicContact CG-CE1 3.92Å; F413-Y418 HydrophobicContact CG-CG 4.48Å; G416-Y418 WeakPolarHBondContact O-CD2 3.38Å; G416-Y418 PolarHBondContact O-N 2.79Å; Y418-K420 PolarHBondContact O-N 3.23Å; Y418-K420 VanDerWaalsContact O-N 3.1Å; Y418-Y421 HydrophobicContact CD2-CD2 4.34Å; Y418-Y421 WeakPolarHBondContact O-CB 3.3Å; Y418-Y421 PolarHBondContact O-N 3.02Å; Y418-Y424 WeakPolarHBondContact CB-OH 3.49Å; Y418-Y424 WeakPolarHBondContact CD2-OH 3.33Å; Y418-N453 PolarHBondContact O-ND2 3.18Å; Y418-N453 VanDerWaalsContact O-ND2 3.12Å; Y418-N453 PolarHBondContact O-OD1 2.92Å; Y418-W586 HydrophobicContact CE2-CH2 4.08Å; Y418-W586 AromaticContact CE2-CZ2 3.76Å; Y418-W586 HydrophobicContact CE2-CZ2 3.76Å; Y418-W586 WeakPolarHBondContact OH-CH2 3.44Å; Y418-R626 PolarHBondContact OH-NE 2.96Å; Y418-R626 PolarHBondContact OH-NH2 3.38Å
419	C	88.6	Confident	84.8	Confident	71 Å²	71	71.6 Å²	71.6	48%	0.48	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	1.7	179.9	64.5	0	0	0	0	115.4	N417 L479	N417-C419 PolarHBondContact O-N 2.98Å; C419-L479 HydrophobicContact CB-CD2 3.86Å
420	K	89.5	Confident	86.1	Confident	164 Å²	164	67.1 Å²	67.1	71%	0.713	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.9	29.9	173.5	-62.9	-163.7	175.6	-163.6	0	111.4	Y418 Y422 G423 Y424	Y418-K420 PolarHBondContact O-N 3.23Å; Y418-K420 VanDerWaalsContact O-N 3.1Å; K420-Y422 PolarHBondContact O-N 3.25Å; K420-G423 PolarHBondContact O-N 3.17Å; K420-Y424 VanDerWaalsContact O-CD1 3.29Å; K420-Y424 WeakPolarHBondContact O-CD1 3.45Å; K420-Y424 WeakPolarHBondContact O-CE1 3.19Å
421	Y	89.1	Confident	87.7	Confident	22 Å²	22	63.3 Å²	63.3	9%	0.086	33%	0.328	C	S	.	.	H	α-helix	trans	-53.7	-54.7	-171.3	-176.2	-91.3	0	0	0	113	Y418 G423 Y424 R425 N453 S582	Y418-Y421 HydrophobicContact CD2-CD2 4.34Å; Y418-Y421 WeakPolarHBondContact O-CB 3.3Å; Y418-Y421 PolarHBondContact O-N 3.02Å; Y421-G423 VanDerWaalsContact C-N 3.33Å; Y421-G423 PolarHBondContact O-N 2.89Å; Y421-Y424 HydrophobicContact CD2-CE2 4.43Å; Y421-Y424 VanDerWaalsContact CD2-OH 3.27Å; Y421-Y424 WeakPolarHBondContact CD2-OH 3.22Å; Y421-Y424 WeakPolarHBondContact O-CD2 3.45Å; Y421-Y424 WeakPolarHBondContact O-CE2 3.49Å; Y421-Y424 PolarHBondContact O-N 2.87Å; Y421-R425 HydrophobicContact CD1-CB 4.48Å; Y421-R425 HydrophobicContact CE1-CB 4.32Å; Y421-R425 VanDerWaalsContact CE1-CD 3.47Å; Y421-R425 HydrophobicContact CE1-CG 4.43Å; Y421-R425 WeakPolarHBondContact O-CB 3.17Å; Y421-R425 PolarHBondContact O-N 3.25Å; Y421-R425 VanDerWaalsContact O-N 3.08Å; Y421-R425 PolarHBondContact OH-NH1 3.05Å; Y421-N453 WeakPolarHBondContact CB-OD1 3.17Å; Y421-S582 WeakPolarHBondContact OH-CB 3.47Å; Y421-S582 PolarHBondContact OH-OG 3.35Å
422	Y	90	Very high	88.8	Confident	15 Å²	15	56 Å²	56	6%	0.059	31%	0.305	C	S	.	.	H	α-helix	trans	-67.3	-33.4	-178.5	-63	-79	0	0	0	112.4	K420 Y424 R425 N426 N453 V454 H456 L457	K420-Y422 PolarHBondContact O-N 3.25Å; Y422-Y424 PolarHBondContact O-N 3.22Å; Y422-Y424 VanDerWaalsContact O-N 3.07Å; Y422-R425 PolarHBondContact O-N 3.31Å; Y422-R425 VanDerWaalsContact O-N 3.09Å; Y422-N426 CarbonylContact O-C 3.59Å; Y422-N426 PolarHBondContact O-N 3.21Å; Y422-N453 HydrophobicContact CE2-CB 4.27Å; Y422-V454 HydrophobicContact CD2-CG2 3.62Å; Y422-V454 HydrophobicContact CE2-CG2 3.86Å; Y422-H456 HydrophobicContact CD1-CB 3.95Å; Y422-H456 HydrophobicContact CD2-CB 3.77Å; Y422-H456 AromaticContact CD2-CD2 3.81Å; Y422-H456 AromaticContact CD2-CG 3.61Å; Y422-H456 HydrophobicContact CE1-CB 3.93Å; Y422-H456 HydrophobicContact CE2-CB 3.77Å; Y422-H456 HydrophobicContact CG-CB 3.85Å; Y422-H456 AromaticContact CG-CG 3.82Å; Y422-H456 AromaticContact CG-ND1 3.93Å; Y422-L457 HydrophobicContact CE1-CB 4.4Å
423	G	87.8	Confident	89.7	Confident	62 Å²	62	50.2 Å²	50.2	64%	0.639	28%	0.28	S	S	*	.	H	α-helix	trans	-64.2	-12	178.5	0	0	0	0	0	115.9	K420 Y421	K420-G423 PolarHBondContact O-N 3.17Å; Y421-G423 VanDerWaalsContact C-N 3.33Å; Y421-G423 PolarHBondContact O-N 2.89Å
424	Y	86.6	Confident	89.9	Confident	97 Å²	97	48.3 Å²	48.3	38%	0.38	27%	0.272	S	S	.	.	H	α-helix	trans	-118.2	-12.5	166.3	64.3	-112.6	0	0	0	114	Y418 K420 Y421 Y422 F674	Y418-Y424 WeakPolarHBondContact CB-OH 3.49Å; Y418-Y424 WeakPolarHBondContact CD2-OH 3.33Å; K420-Y424 VanDerWaalsContact O-CD1 3.29Å; K420-Y424 WeakPolarHBondContact O-CD1 3.45Å; K420-Y424 WeakPolarHBondContact O-CE1 3.19Å; Y421-Y424 HydrophobicContact CD2-CE2 4.43Å; Y421-Y424 VanDerWaalsContact CD2-OH 3.27Å; Y421-Y424 WeakPolarHBondContact CD2-OH 3.22Å; Y421-Y424 WeakPolarHBondContact O-CD2 3.45Å; Y421-Y424 WeakPolarHBondContact O-CE2 3.49Å; Y421-Y424 PolarHBondContact O-N 2.87Å; Y422-Y424 PolarHBondContact O-N 3.22Å; Y422-Y424 VanDerWaalsContact O-N 3.07Å; Y424-F674 HydrophobicContact CD2-CE2 4.07Å; Y424-F674 AromaticContact CD2-CZ 3.77Å; Y424-F674 HydrophobicContact CD2-CZ 3.77Å; Y424-F674 HydrophobicContact CE2-CE1 4.37Å; Y424-F674 HydrophobicContact CE2-CE2 4.38Å; Y424-F674 AromaticContact CE2-CZ 3.62Å; Y424-F674 HydrophobicContact CE2-CZ 3.62Å
425	R	89.5	Confident	90	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-82	-46.1	174.4	-169.6	-173.8	171.3	119.9	13.3	110.4	Y421 Y422 P427 D431 R433 S582 E616 N669 F674	Y421-R425 HydrophobicContact CD1-CB 4.48Å; Y421-R425 HydrophobicContact CE1-CB 4.32Å; Y421-R425 VanDerWaalsContact CE1-CD 3.47Å; Y421-R425 HydrophobicContact CE1-CG 4.43Å; Y421-R425 WeakPolarHBondContact O-CB 3.17Å; Y421-R425 PolarHBondContact O-N 3.25Å; Y421-R425 VanDerWaalsContact O-N 3.08Å; Y421-R425 PolarHBondContact OH-NH1 3.05Å; Y422-R425 PolarHBondContact O-N 3.31Å; Y422-R425 VanDerWaalsContact O-N 3.09Å; R425-P427 WeakPolarHBondContact O-CD 3.39Å; R425-D431 IonicContact NE-OD2 3.89Å; R425-R433 VanDerWaalsContact CZ-CZ 3.43Å; R425-S582 PolarHBondContact NH1-OG 3.19Å; R425-E616 IonicContact CZ-OE1 3.7Å; R425-E616 IonicContact CZ-OE2 2.81Å; R425-E616 IonicContact NH1-OE1 2.62Å; R425-E616 PolarHBondContact NH1-OE1 3.07Å; R425-E616 IonicContact NH1-OE2 3.87Å; R425-E616 PolarHBondContact NH1-OE2 2.85Å; R425-E616 IonicContact NH2-OE1 3.42Å; R425-E616 PolarHBondContact NH2-OE1 2.84Å; R425-E616 IonicContact NH2-OE2 3.83Å; R425-N669 PolarHBondContact O-ND2 2.85Å; R425-N669 PolarHBondContact O-OD1 2.97Å; R425-F674 HydrophobicContact CB-CE2 4.44Å; R425-F674 HydrophobicContact CB-CZ 4.47Å; R425-F674 HydrophobicContact CG-CB 4.36Å; R425-F674 HydrophobicContact CG-CD1 3.79Å; R425-F674 HydrophobicContact CG-CD2 4.06Å; R425-F674 HydrophobicContact CG-CE1 4.14Å; R425-F674 HydrophobicContact CG-CE2 4.39Å; R425-F674 HydrophobicContact CG-CG 3.82Å; R425-F674 HydrophobicContact CG-CZ 4.47Å
426	N	89.8	Confident	89.9	Confident	19 Å²	19	53.6 Å²	53.6	10%	0.102	29%	0.292	C	S	.	.	S	Bend	trans	-125.9	71.4	-175.4	-46.4	-24.2	0	0	0	108.5	Y422 S428 C429 D431	Y422-N426 CarbonylContact O-C 3.59Å; Y422-N426 PolarHBondContact O-N 3.21Å; N426-S428 PolarHBondContact O-N 3.29Å; N426-C429 WeakPolarHBondContact CB-O 3.48Å; N426-D431 WeakPolarHBondContact ND2-CA 3.29Å; N426-D431 WeakPolarHBondContact ND2-CB 3.4Å; N426-D431 PolarHBondContact ND2-OD2 2.9Å
427	P	81.6	Confident	90.1	Very high	62 Å²	62	53.4 Å²	53.4	40%	0.403	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	103.7	-176.3	29.2	-34.2	0	0	0	110.5	R425 C429	R425-P427 WeakPolarHBondContact O-CD 3.39Å; P427-C429 PolarHBondContact O-N 3.16Å
428	S	79.8	Confident	90.2	Very high	140 Å²	140	57.4 Å²	57.4	98%	0.979	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	32.9	-178.9	-54.1	0	0	0	0	114.5	N426	N426-S428 PolarHBondContact O-N 3.29Å
429	C	78.9	Confident	90.5	Very high	65 Å²	65	58 Å²	58	44%	0.439	32%	0.315	S	S	.	.	S	Bend	trans	-142.7	163.6	-179.7	70.8	0	0	0	0	111.8	N426 P427	N426-C429 WeakPolarHBondContact CB-O 3.48Å; P427-C429 PolarHBondContact O-N 3.16Å
430	E	86.4	Confident	91	Very high	84 Å²	84	60.1 Å²	60.1	39%	0.393	32%	0.318	S	S	.	.			trans	-64.2	153.1	171.8	-171.5	172.2	-130.8	0	0	111.5	G432 L434 K464	E430-G432 PolarHBondContact O-N 3.07Å; E430-L434 HydrophobicContact CG-CD1 3.76Å; E430-K464 IonicContact OE1-NZ 3.74Å; E430-K464 PolarHBondContact OE1-NZ 3.25Å
431	D	92.8	Very high	91.4	Very high	9 Å²	9	53.7 Å²	53.7	5%	0.048	29%	0.289	C	S	.	.			trans	-69.3	112.4	173.4	-160.3	-55.2	0	0	0	109.9	R425 N426 R433 L434 L457	R425-D431 IonicContact NE-OD2 3.89Å; N426-D431 WeakPolarHBondContact ND2-CA 3.29Å; N426-D431 WeakPolarHBondContact ND2-CB 3.4Å; N426-D431 PolarHBondContact ND2-OD2 2.9Å; D431-R433 PolarHBondContact O-N 2.74Å; D431-R433 VanDerWaalsContact OD1-CB 3.28Å; D431-R433 WeakPolarHBondContact OD1-CB 3.17Å; D431-R433 WeakPolarHBondContact OD1-CG 3.47Å; D431-R433 IonicContact OD1-CZ 3.71Å; D431-R433 PolarHBondContact OD1-N 3.27Å; D431-R433 VanDerWaalsContact OD1-N 3.14Å; D431-R433 IonicContact OD1-NE 2.77Å; D431-R433 PolarHBondContact OD1-NE 3.03Å; D431-R433 IonicContact OD1-NH2 3.93Å; D431-R433 IonicContact OD2-CZ 3.74Å; D431-R433 IonicContact OD2-NE 2.72Å; D431-R433 PolarHBondContact OD2-NE 3.17Å; D431-R433 IonicContact OD2-NH2 3.3Å; D431-R433 PolarHBondContact OD2-NH2 3.44Å; D431-L434 HydrophobicContact CB-CD1 4.33Å; D431-L434 HydrophobicContact CB-CG 4.47Å; D431-L434 WeakPolarHBondContact O-CB 3.36Å; D431-L434 PolarHBondContact O-N 3.34Å; D431-L457 HydrophobicContact CB-CD1 4.3Å
432	G	92.9	Very high	91.8	Very high	15 Å²	15	52.6 Å²	52.6	16%	0.155	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-54.9	-17.8	-178.6	0	0	0	0	0	114.9	E430 L434 R435	E430-G432 PolarHBondContact O-N 3.07Å; G432-L434 VanDerWaalsContact C-N 3.27Å; G432-L434 PolarHBondContact O-N 2.84Å; G432-R435 PolarHBondContact O-N 3.43Å
433	R	96.8	Very high	92.2	Very high	7 Å²	7	60 Å²	60	3%	0.026	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-62.6	-30.7	170.9	-68.4	176.2	-72.5	173.7	13.4	112.9	R425 D431 R435 V436 L437 E616 P667	R425-R433 VanDerWaalsContact CZ-CZ 3.43Å; D431-R433 PolarHBondContact O-N 2.74Å; D431-R433 VanDerWaalsContact OD1-CB 3.28Å; D431-R433 WeakPolarHBondContact OD1-CB 3.17Å; D431-R433 WeakPolarHBondContact OD1-CG 3.47Å; D431-R433 IonicContact OD1-CZ 3.71Å; D431-R433 PolarHBondContact OD1-N 3.27Å; D431-R433 VanDerWaalsContact OD1-N 3.14Å; D431-R433 IonicContact OD1-NE 2.77Å; D431-R433 PolarHBondContact OD1-NE 3.03Å; D431-R433 IonicContact OD1-NH2 3.93Å; D431-R433 IonicContact OD2-CZ 3.74Å; D431-R433 IonicContact OD2-NE 2.72Å; D431-R433 PolarHBondContact OD2-NE 3.17Å; D431-R433 IonicContact OD2-NH2 3.3Å; D431-R433 PolarHBondContact OD2-NH2 3.44Å; R433-R435 PolarHBondContact O-N 3.29Å; R433-R435 VanDerWaalsContact O-N 3.14Å; R433-V436 PolarHBondContact O-N 2.9Å; R433-L437 HydrophobicContact CB-CD1 4.44Å; R433-L437 WeakPolarHBondContact O-CG 3.47Å; R433-L437 PolarHBondContact O-N 2.75Å; R433-E616 IonicContact CZ-OE2 2.8Å; R433-E616 IonicContact NH1-OE2 2.96Å; R433-E616 PolarHBondContact NH1-OE2 3.14Å; R433-P667 HydrophobicContact CG-CB 4.35Å; R433-P667 HydrophobicContact CG-CG 4.05Å
434	L	95.4	Very high	92.7	Very high	15 Å²	15	59.4 Å²	59.4	8%	0.079	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-65.3	-13.6	178.1	-67.6	168.6	0	0	0	113.3	E430 D431 G432 L457 I461 W465	E430-L434 HydrophobicContact CG-CD1 3.76Å; D431-L434 HydrophobicContact CB-CD1 4.33Å; D431-L434 HydrophobicContact CB-CG 4.47Å; D431-L434 WeakPolarHBondContact O-CB 3.36Å; D431-L434 PolarHBondContact O-N 3.34Å; G432-L434 VanDerWaalsContact C-N 3.27Å; G432-L434 PolarHBondContact O-N 2.84Å; L434-L457 HydrophobicContact CD1-CD1 4.37Å; L434-L457 HydrophobicContact CD2-CD1 3.64Å; L434-L457 HydrophobicContact CG-CD1 3.77Å; L434-I461 HydrophobicContact CD2-CG1 4.04Å; L434-W465 HydrophobicContact CB-CH2 4.34Å; L434-W465 HydrophobicContact CB-CZ2 4.47Å; L434-W465 HydrophobicContact CD2-CH2 3.58Å; L434-W465 HydrophobicContact CD2-CZ2 4.01Å; L434-W465 HydrophobicContact CD2-CZ3 4.04Å
435	R	95.4	Very high	93.2	Very high	205 Å²	205	60.5 Å²	60.5	77%	0.774	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-92.1	3.1	172.5	-56.4	-176	-178.9	-169.7	-2.4	113.8	G432 R433	G432-R435 PolarHBondContact O-N 3.43Å; R433-R435 PolarHBondContact O-N 3.29Å; R433-R435 VanDerWaalsContact O-N 3.14Å
436	V	96.1	Very high	93.7	Very high	22 Å²	22	61.7 Å²	61.7	13%	0.133	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-36.6	-175.7	169.9	0	0	0	0	111.7	R433 V664 A665 P667 V678	R433-V436 PolarHBondContact O-N 2.9Å; V436-V664 HydrophobicContact CG1-CB 4.33Å; V436-V664 HydrophobicContact CG1-CG1 3.81Å; V436-A665 HydrophobicContact CB-CB 4.48Å; V436-A665 HydrophobicContact CG1-CB 3.73Å; V436-A665 HydrophobicContact CG2-CB 3.9Å; V436-P667 HydrophobicContact CB-CG 4.01Å; V436-P667 HydrophobicContact CG1-CG 4.17Å; V436-P667 HydrophobicContact CG2-CB 3.98Å; V436-P667 HydrophobicContact CG2-CG 3.82Å; V436-V678 HydrophobicContact CG1-CB 4.2Å; V436-V678 HydrophobicContact CG1-CG2 4.41Å
437	L	97.6	Very high	94.1	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.021	31%	0.312	C	S	.	.	S	Bend	trans	-67.7	134.1	164.3	-57.7	-179.3	0	0	0	108.7	R433 W441 F442 L457 I461 W465 L581 V614 V678	R433-L437 HydrophobicContact CB-CD1 4.44Å; R433-L437 WeakPolarHBondContact O-CG 3.47Å; R433-L437 PolarHBondContact O-N 2.75Å; L437-W441 HydrophobicContact CB-CZ3 4.46Å; L437-W441 HydrophobicContact CD2-CE3 4.48Å; L437-W441 HydrophobicContact CD2-CZ3 3.9Å; L437-F442 HydrophobicContact CB-CE2 4.06Å; L437-F442 HydrophobicContact CB-CZ 4.33Å; L437-F442 HydrophobicContact CD1-CZ 4.45Å; L437-L457 HydrophobicContact CD1-CD2 4.39Å; L437-I461 HydrophobicContact CD1-CD1 4Å; L437-W465 HydrophobicContact CB-CH2 3.79Å; L437-W465 HydrophobicContact CB-CZ3 3.74Å; L437-W465 VanDerWaalsContact O-CH2 3.31Å; L437-W465 WeakPolarHBondContact O-CH2 3.32Å; L437-L581 HydrophobicContact CD1-CD1 4.38Å; L437-V614 HydrophobicContact CD2-CG1 3.6Å; L437-V678 HydrophobicContact CD2-CG1 4.28Å
438	K	98	Very high	94.9	Very high	91 Å²	91	58 Å²	58	40%	0.396	29%	0.294	S	S	.	.			trans	-104.3	137.5	-174	-46.5	-175.5	-174.9	177.9	0	112	E440 W441 F442	K438-E440 VanDerWaalsContact C-N 3.3Å; K438-E440 VanDerWaalsContact CB-CD 3.45Å; K438-E440 VanDerWaalsContact CB-OE1 3.23Å; K438-E440 WeakPolarHBondContact CB-OE1 3.39Å; K438-E440 VanDerWaalsContact CB-OE2 3.24Å; K438-E440 WeakPolarHBondContact CB-OE2 3.41Å; K438-E440 WeakPolarHBondContact CD-OE1 3.38Å; K438-E440 PolarHBondContact O-N 2.88Å; K438-W441 HydrophobicContact CB-CD2 4.07Å; K438-W441 HydrophobicContact CB-CG 4.36Å; K438-W441 HydrophobicContact CB-CZ2 4.24Å; K438-W441 HydrophobicContact CD-CZ2 3.76Å; K438-W441 HydrophobicContact CG-CD2 4.39Å; K438-W441 HydrophobicContact CG-CH2 4.11Å; K438-W441 HydrophobicContact CG-CZ2 3.66Å; K438-W441 WeakPolarHBondContact O-CB 3.37Å; K438-W441 PolarHBondContact O-N 2.83Å; K438-F442 WeakPolarHBondContact O-CD2 3.47Å; K438-F442 WeakPolarHBondContact O-CE2 3.23Å
439	P	97.9	Very high	95.9	Very high	46 Å²	46	51.6 Å²	51.6	30%	0.299	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-59.3	-34.5	-173.9	-24.1	33.4	0	0	0	114.8	W441 F442 R443 W465	P439-W441 PolarHBondContact O-N 2.89Å; P439-F442 PolarHBondContact O-N 3.22Å; P439-R443 PolarHBondContact O-N 3.07Å; P439-W465 HydrophobicContact CB-CB 4.36Å; P439-W465 HydrophobicContact CB-CD2 4.21Å; P439-W465 HydrophobicContact CB-CG 3.88Å; P439-W465 HydrophobicContact CG-CD2 4.29Å; P439-W465 HydrophobicContact CG-CG 4.3Å; P439-W465 HydrophobicContact CG-CZ2 4.42Å
440	E	98.2	Very high	96.8	Very high	114 Å²	114	48.6 Å²	48.6	53%	0.533	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-67	-14.3	-178.8	72.3	-80	-173.1	0	0	113.9	K438 F442	K438-E440 VanDerWaalsContact C-N 3.3Å; K438-E440 VanDerWaalsContact CB-CD 3.45Å; K438-E440 VanDerWaalsContact CB-OE1 3.23Å; K438-E440 WeakPolarHBondContact CB-OE1 3.39Å; K438-E440 VanDerWaalsContact CB-OE2 3.24Å; K438-E440 WeakPolarHBondContact CB-OE2 3.41Å; K438-E440 WeakPolarHBondContact CD-OE1 3.38Å; K438-E440 PolarHBondContact O-N 2.88Å; E440-F442 VanDerWaalsContact C-N 3.31Å
441	W	98.3	Very high	97.4	Very high	29 Å²	29	45.9 Å²	45.9	11%	0.11	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-73.3	-25.4	169.7	-59.6	-11.3	0	0	0	112.3	L437 K438 P439 R445 V577 I612 V614 V664 L680	L437-W441 HydrophobicContact CB-CZ3 4.46Å; L437-W441 HydrophobicContact CD2-CE3 4.48Å; L437-W441 HydrophobicContact CD2-CZ3 3.9Å; K438-W441 HydrophobicContact CB-CD2 4.07Å; K438-W441 HydrophobicContact CB-CG 4.36Å; K438-W441 HydrophobicContact CB-CZ2 4.24Å; K438-W441 HydrophobicContact CD-CZ2 3.76Å; K438-W441 HydrophobicContact CG-CD2 4.39Å; K438-W441 HydrophobicContact CG-CH2 4.11Å; K438-W441 HydrophobicContact CG-CZ2 3.66Å; K438-W441 WeakPolarHBondContact O-CB 3.37Å; K438-W441 PolarHBondContact O-N 2.83Å; P439-W441 PolarHBondContact O-N 2.89Å; W441-R445 WeakPolarHBondContact O-CG 3.49Å; W441-V577 WeakPolarHBondContact O-CG2 3.27Å; W441-I612 HydrophobicContact CB-CD1 3.91Å; W441-I612 HydrophobicContact CD2-CD1 4.42Å; W441-I612 HydrophobicContact CG-CD1 4Å; W441-V614 HydrophobicContact CE3-CG2 4.36Å; W441-V614 HydrophobicContact CZ3-CG1 4.49Å; W441-V614 HydrophobicContact CZ3-CG2 4.46Å; W441-V664 HydrophobicContact CH2-CB 4.45Å; W441-V664 HydrophobicContact CH2-CG1 3.81Å; W441-V664 HydrophobicContact CH2-CG2 3.84Å; W441-V664 HydrophobicContact CZ2-CG1 4.38Å; W441-V664 HydrophobicContact CZ2-CG2 4.45Å; W441-L680 HydrophobicContact CE3-CD1 4.49Å; W441-L680 HydrophobicContact CH2-CD1 4.37Å; W441-L680 HydrophobicContact CH2-CD2 4.36Å; W441-L680 HydrophobicContact CZ2-CD2 3.84Å; W441-L680 HydrophobicContact CZ3-CD1 4.34Å
442	F	98.6	Very high	97.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-32.6	-169.2	-55.8	-80.1	0	0	0	113.4	L437 K438 P439 E440 G444 R445 V447 I461 W465 P467 V577 L579	L437-F442 HydrophobicContact CB-CE2 4.06Å; L437-F442 HydrophobicContact CB-CZ 4.33Å; L437-F442 HydrophobicContact CD1-CZ 4.45Å; K438-F442 WeakPolarHBondContact O-CD2 3.47Å; K438-F442 WeakPolarHBondContact O-CE2 3.23Å; P439-F442 PolarHBondContact O-N 3.22Å; E440-F442 VanDerWaalsContact C-N 3.31Å; F442-G444 PolarHBondContact O-N 2.93Å; F442-R445 WeakPolarHBondContact O-CB 3.41Å; F442-R445 PolarHBondContact O-N 2.79Å; F442-V447 HydrophobicContact CD1-CG1 4.14Å; F442-V447 HydrophobicContact CD1-CG2 3.97Å; F442-V447 HydrophobicContact CE1-CG1 4.27Å; F442-I461 HydrophobicContact CB-CG2 4.11Å; F442-I461 HydrophobicContact CD1-CG2 3.69Å; F442-I461 HydrophobicContact CD2-CG2 4.38Å; F442-I461 HydrophobicContact CE1-CD1 4.28Å; F442-I461 HydrophobicContact CE1-CG2 4.21Å; F442-I461 HydrophobicContact CG-CG2 3.78Å; F442-I461 HydrophobicContact CZ-CD1 4.32Å; F442-W465 HydrophobicContact CB-CB 4.24Å; F442-W465 HydrophobicContact CD2-CD2 4.4Å; F442-W465 AromaticContact CD2-CE3 3.36Å; F442-W465 HydrophobicContact CD2-CE3 3.36Å; F442-W465 AromaticContact CD2-CZ3 3.75Å; F442-W465 HydrophobicContact CD2-CZ3 3.75Å; F442-W465 AromaticContact CE2-CE3 3.73Å; F442-W465 HydrophobicContact CE2-CE3 3.73Å; F442-W465 AromaticContact CE2-CZ3 3.58Å; F442-W465 HydrophobicContact CE2-CZ3 3.58Å; F442-W465 HydrophobicContact CG-CE3 4.08Å; F442-W465 HydrophobicContact CZ-CZ3 4.42Å; F442-P467 WeakPolarHBondContact O-CA 3.49Å; F442-P467 WeakPolarHBondContact O-CB 3.47Å; F442-V577 HydrophobicContact CE1-CG1 4.02Å; F442-L579 HydrophobicContact CE1-CD1 4.24Å; F442-L579 HydrophobicContact CE1-CD2 3.86Å; F442-L579 HydrophobicContact CE1-CG 4.37Å; F442-L579 HydrophobicContact CZ-CD2 4.06Å
443	R	98.1	Very high	97.9	Very high	170 Å²	170	45.1 Å²	45.1	64%	0.642	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	121.7	-175.1	-175.3	174.1	-68.3	158.8	-2.7	112.1	P439 R445 W465 G466	P439-R443 PolarHBondContact O-N 3.07Å; R443-R445 PolarHBondContact O-N 3.12Å; R443-W465 WeakPolarHBondContact CA-O 3.46Å; R443-W465 WeakPolarHBondContact CB-O 3.47Å; R443-G466 WeakPolarHBondContact CA-O 3.39Å
444	G	97.6	Very high	97.9	Very high	50 Å²	50	45.3 Å²	45.3	52%	0.515	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	26.6	-177.9	0	0	0	0	0	114.3	F442 G466	F442-G444 PolarHBondContact O-N 2.93Å; G444-G466 PolarHBondContact N-O 3.19Å
445	R	98.4	Very high	98	Very high	120 Å²	120	44.6 Å²	44.6	45%	0.453	21%	0.213	S	C	.	.			trans	-114.8	153.1	179.4	-58.8	-54.4	-179.4	177.6	-4.2	113.1	W441 F442 R443 V447 P467 S468 R469 D576 V577	W441-R445 WeakPolarHBondContact O-CG 3.49Å; F442-R445 WeakPolarHBondContact O-CB 3.41Å; F442-R445 PolarHBondContact O-N 2.79Å; R443-R445 PolarHBondContact O-N 3.12Å; R445-V447 HydrophobicContact CB-CG2 4.32Å; R445-P467 VanDerWaalsContact O-CB 3.29Å; R445-P467 WeakPolarHBondContact O-CB 3.43Å; R445-S468 PolarHBondContact O-N 3.5Å; R445-S468 VanDerWaalsContact O-N 3.1Å; R445-S468 PolarHBondContact O-OG 3.21Å; R445-R469 PolarHBondContact O-N 2.87Å; R445-D576 WeakPolarHBondContact CA-OD2 3.48Å; R445-D576 HydrophobicContact CB-CB 4.11Å; R445-D576 WeakPolarHBondContact CD-OD2 3.41Å; R445-D576 HydrophobicContact CG-CB 4.41Å; R445-V577 HydrophobicContact CB-CG2 4.29Å
446	D	98.8	Very high	98	Very high	29 Å²	29	38 Å²	38	16%	0.155	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.3	169.9	-60	-36.9	0	0	0	110.1	S468 R469 Y575 D576 V577 R608	D446-S468 PolarHBondContact N-OG 2.88Å; D446-S468 PolarHBondContact OD1-OG 3.25Å; D446-R469 HydrophobicContact CB-CB 4.36Å; D446-R469 WeakPolarHBondContact OD1-CB 3.18Å; D446-Y575 HydrophobicContact CB-CD1 4.25Å; D446-D576 PolarHBondContact N-OD2 2.89Å; D446-D576 PolarHBondContact O-N 3.48Å; D446-V577 PolarHBondContact O-N 2.86Å; D446-V577 VanDerWaalsContact O-N 3.12Å; D446-R608 IonicContact OD2-CZ 2.94Å; D446-R608 IonicContact OD2-NH1 3.4Å; D446-R608 PolarHBondContact OD2-NH1 2.82Å; D446-R608 IonicContact OD2-NH2 2.77Å; D446-R608 PolarHBondContact OD2-NH2 3.35Å
447	V	98.9	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.4	-168	-171.2	0	0	0	0	111.3	F442 R445 P467 R469 M470 V471 V577 L579	F442-V447 HydrophobicContact CD1-CG1 4.14Å; F442-V447 HydrophobicContact CD1-CG2 3.97Å; F442-V447 HydrophobicContact CE1-CG1 4.27Å; R445-V447 HydrophobicContact CB-CG2 4.32Å; V447-P467 HydrophobicContact CG2-CB 3.88Å; V447-R469 PolarHBondContact N-O 3.11Å; V447-M470 HydrophobicContact CB-CE 3.79Å; V447-M470 HydrophobicContact CB-SD 3.95Å; V447-M470 HydrophobicContact CG1-CE 3.58Å; V447-M470 HydrophobicContact CG1-SD 3.78Å; V447-M470 HydrophobicContact CG2-CE 4.27Å; V447-M470 WeakPolarHBondContact O-CA 3.41Å; V447-V471 PolarHBondContact O-N 3.38Å; V447-V577 WeakPolarHBondContact CA-O 3.35Å; V447-V577 HydrophobicContact CB-CB 4.45Å; V447-V577 HydrophobicContact CG1-CB 4.12Å; V447-V577 HydrophobicContact CG1-CG1 4.25Å; V447-V577 HydrophobicContact CG2-CB 4.19Å; V447-V577 HydrophobicContact CG2-CG2 4.38Å; V447-L579 HydrophobicContact CG1-CD1 4.38Å; V447-L579 HydrophobicContact CG1-CG 4.3Å
448	L	98.9	Very high	98.1	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.5	174.1	175.1	63.5	0	0	0	110.7	L450 V471 L473 Y560 Y575 V577 V578 L579 H606	L448-L450 HydrophobicContact CD1-CD2 4.06Å; L448-L450 HydrophobicContact CD2-CD2 3.82Å; L448-L450 HydrophobicContact CD2-CG 4.47Å; L448-L450 HydrophobicContact CG-CD2 3.72Å; L448-L450 HydrophobicContact CG-CG 4.24Å; L448-V471 HydrophobicContact CD1-CB 4.01Å; L448-V471 HydrophobicContact CD1-CG1 3.89Å; L448-L473 HydrophobicContact CD1-CB 4.34Å; L448-Y560 HydrophobicContact CD2-CE2 3.94Å; L448-Y575 HydrophobicContact CB-CD1 3.7Å; L448-Y575 HydrophobicContact CB-CD2 4.03Å; L448-Y575 HydrophobicContact CB-CE1 3.91Å; L448-Y575 HydrophobicContact CB-CE2 4.26Å; L448-Y575 HydrophobicContact CB-CG 3.79Å; L448-Y575 HydrophobicContact CD2-CD2 3.99Å; L448-Y575 HydrophobicContact CD2-CE2 4.01Å; L448-V577 PolarHBondContact N-O 3.34Å; L448-V578 HydrophobicContact CB-CG2 4.28Å; L448-V578 HydrophobicContact CD2-CG1 4.42Å; L448-V578 HydrophobicContact CD2-CG2 4.34Å; L448-V578 CarbonylContact O-C 3.55Å; L448-V578 WeakPolarHBondContact O-CA 3.49Å; L448-L579 PolarHBondContact O-N 2.81Å; L448-H606 WeakPolarHBondContact CD2-ND1 3.3Å
449	D	98.9	Very high	98.1	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.027	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	106.5	178.8	-174.4	26.6	0	0	0	111.9	C452 T458 M470 V471 L473 L579	D449-C452 HydrophobicContact CB-CB 4.32Å; D449-C452 VanDerWaalsContact OD2-CB 3.3Å; D449-C452 WeakPolarHBondContact OD2-CB 3.41Å; D449-T458 HydrophobicContact CB-CG2 3.84Å; D449-T458 WeakPolarHBondContact OD2-CB 3.3Å; D449-T458 WeakPolarHBondContact OD2-CG2 3.29Å; D449-T458 PolarHBondContact OD2-OG1 3.17Å; D449-M470 HydrophobicContact CB-SD 4.37Å; D449-V471 PolarHBondContact N-O 3.06Å; D449-L473 PolarHBondContact O-N 2.69Å; D449-L579 HydrophobicContact CB-CB 4.42Å; D449-L579 HydrophobicContact CB-CD1 4.28Å
450	L	98.9	Very high	98	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	114.4	-173.9	-58.9	-179.6	0	0	0	111.7	L448 L473 Y560 V578 L579 L583 I603	L448-L450 HydrophobicContact CD1-CD2 4.06Å; L448-L450 HydrophobicContact CD2-CD2 3.82Å; L448-L450 HydrophobicContact CD2-CG 4.47Å; L448-L450 HydrophobicContact CG-CD2 3.72Å; L448-L450 HydrophobicContact CG-CG 4.24Å; L450-L473 HydrophobicContact CD2-CB 4.43Å; L450-L473 HydrophobicContact CD2-CD2 3.89Å; L450-Y560 HydrophobicContact CD1-CD1 4.03Å; L450-Y560 HydrophobicContact CD1-CD2 4.48Å; L450-Y560 HydrophobicContact CD1-CE1 3.89Å; L450-Y560 HydrophobicContact CD1-CE2 4.35Å; L450-Y560 HydrophobicContact CD1-CG 4.3Å; L450-Y560 HydrophobicContact CD2-CD1 4.34Å; L450-Y560 HydrophobicContact CD2-CD2 3.46Å; L450-Y560 VanDerWaalsContact CD2-CD2 3.46Å; L450-Y560 HydrophobicContact CD2-CE2 3.71Å; L450-Y560 HydrophobicContact CD2-CG 3.78Å; L450-V578 HydrophobicContact CD1-CG1 3.58Å; L450-V578 HydrophobicContact CG-CG1 3.93Å; L450-L579 WeakPolarHBondContact CB-O 3.46Å; L450-L579 PolarHBondContact N-O 2.99Å; L450-L583 HydrophobicContact CB-CD2 3.63Å; L450-I603 HydrophobicContact CD1-CD1 3.74Å; L450-I603 HydrophobicContact CD1-CG1 3.74Å
451	G	98.5	Very high	97.9	Very high	28 Å²	28	25.7 Å²	25.7	29%	0.289	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	38.8	-173.9	0	0	0	0	0	112.2	N453 L473	G451-N453 PolarHBondContact O-N 2.96Å; G451-L473 WeakPolarHBondContact CA-O 3.46Å; G451-L473 PolarHBondContact N-O 3.1Å
452	C	98.4	Very high	97.8	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.007	13%	0.126	C	C	.	.			trans	-59.3	-12.9	-172.9	70.3	0	0	0	0	114.4	D449 V454 G455 G472 L473	D449-C452 HydrophobicContact CB-CB 4.32Å; D449-C452 VanDerWaalsContact OD2-CB 3.3Å; D449-C452 WeakPolarHBondContact OD2-CB 3.41Å; C452-V454 PolarHBondContact O-N 2.85Å; C452-G455 WeakPolarHBondContact O-CA 3.34Å; C452-G455 PolarHBondContact O-N 2.9Å; C452-G472 VanDerWaalsContact SG-C 3.53Å; C452-L473 PolarHBondContact N-O 2.85Å; C452-L473 VanDerWaalsContact N-O 3.12Å
453	N	98.1	Very high	97.6	Very high	7 Å²	7	25.9 Å²	25.9	4%	0.037	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	-132.9	-179.3	-166.1	-92.9	0	0	0	110.2	Y418 Y421 Y422 G451 G455 D474 L479	Y418-N453 PolarHBondContact O-ND2 3.18Å; Y418-N453 VanDerWaalsContact O-ND2 3.12Å; Y418-N453 PolarHBondContact O-OD1 2.92Å; Y421-N453 WeakPolarHBondContact CB-OD1 3.17Å; Y422-N453 HydrophobicContact CE2-CB 4.27Å; G451-N453 PolarHBondContact O-N 2.96Å; N453-G455 PolarHBondContact O-N 3.2Å; N453-D474 VanDerWaalsContact CA-OD2 3.26Å; N453-D474 WeakPolarHBondContact CA-OD2 3.36Å; N453-D474 PolarHBondContact N-OD2 2.85Å; N453-L479 WeakPolarHBondContact ND2-CD1 3.35Å
454	V	97.2	Very high	97.4	Very high	10 Å²	10	23.1 Å²	23.1	6%	0.061	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	15.5	173.6	-57.8	0	0	0	0	113.7	Y422 C452 H456 L479 A483 N486	Y422-V454 HydrophobicContact CD2-CG2 3.62Å; Y422-V454 HydrophobicContact CE2-CG2 3.86Å; C452-V454 PolarHBondContact O-N 2.85Å; V454-H456 PolarHBondContact O-N 3.02Å; V454-L479 HydrophobicContact CG1-CB 4.26Å; V454-L479 HydrophobicContact CG1-CD2 3.75Å; V454-A483 WeakPolarHBondContact O-CA 3.44Å; V454-N486 PolarHBondContact O-ND2 2.83Å
455	G	97.1	Very high	97.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	79.7	5.4	163.5	0	0	0	0	0	117.6	C452 N453 L457 T458 L459	C452-G455 WeakPolarHBondContact O-CA 3.34Å; C452-G455 PolarHBondContact O-N 2.9Å; N453-G455 PolarHBondContact O-N 3.2Å; G455-L457 PolarHBondContact O-N 2.88Å; G455-T458 WeakPolarHBondContact CA-OG1 3.45Å; G455-T458 WeakPolarHBondContact O-CB 3.44Å; G455-T458 PolarHBondContact O-N 2.88Å; G455-T458 PolarHBondContact O-OG1 3.07Å; G455-L459 WeakPolarHBondContact O-CB 3.45Å; G455-L459 VanDerWaalsContact O-CG 3.27Å; G455-L459 WeakPolarHBondContact O-CG 3.41Å; G455-L459 PolarHBondContact O-N 3.25Å
456	H	96.4	Very high	97.1	Very high	66 Å²	66	18 Å²	18	31%	0.306	11%	0.105	S	C	.	.	H	α-helix	trans	-59.8	-44.5	-172.1	-70.6	-147.9	0	0	0	112.8	Y422 V454 S460 N486 Y490	Y422-H456 HydrophobicContact CD1-CB 3.95Å; Y422-H456 HydrophobicContact CD2-CB 3.77Å; Y422-H456 AromaticContact CD2-CD2 3.81Å; Y422-H456 AromaticContact CD2-CG 3.61Å; Y422-H456 HydrophobicContact CE1-CB 3.93Å; Y422-H456 HydrophobicContact CE2-CB 3.77Å; Y422-H456 HydrophobicContact CG-CB 3.85Å; Y422-H456 AromaticContact CG-CG 3.82Å; Y422-H456 AromaticContact CG-ND1 3.93Å; V454-H456 PolarHBondContact O-N 3.02Å; H456-S460 WeakPolarHBondContact O-CB 3.48Å; H456-S460 PolarHBondContact O-N 2.92Å; H456-S460 PolarHBondContact O-OG 3.45Å; H456-S460 VanDerWaalsContact O-OG 3.1Å; H456-N486 PolarHBondContact CD2-ND2 3.23Å; H456-N486 PolarHBondContact NE2-ND2 3.33Å; H456-Y490 VanDerWaalsContact CA-OH 3.31Å; H456-Y490 WeakPolarHBondContact CA-OH 3.34Å; H456-Y490 WeakPolarHBondContact CB-OH 3.34Å; H456-Y490 PolarHBondContact O-OH 3.39Å
457	L	96.8	Very high	97.1	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.016	10%	0.097	C	C	.	.	H	α-helix	trans	-68.4	-42.5	177.1	-176.7	71.5	0	0	0	111.1	Y422 D431 L434 L437 G455 L459 S460 I461 L581	Y422-L457 HydrophobicContact CE1-CB 4.4Å; D431-L457 HydrophobicContact CB-CD1 4.3Å; L434-L457 HydrophobicContact CD1-CD1 4.37Å; L434-L457 HydrophobicContact CD2-CD1 3.64Å; L434-L457 HydrophobicContact CG-CD1 3.77Å; L437-L457 HydrophobicContact CD1-CD2 4.39Å; G455-L457 PolarHBondContact O-N 2.88Å; L457-L459 VanDerWaalsContact C-N 3.31Å; L457-L459 PolarHBondContact O-N 2.87Å; L457-S460 PolarHBondContact O-N 2.62Å; L457-I461 HydrophobicContact CD1-CD1 4.39Å; L457-I461 HydrophobicContact CD2-CD1 4.47Å; L457-I461 HydrophobicContact CG-CD1 4.01Å; L457-I461 WeakPolarHBondContact O-CG1 3.39Å; L457-I461 PolarHBondContact O-N 2.85Å; L457-L581 HydrophobicContact CD2-CD1 3.42Å; L457-L581 VanDerWaalsContact CD2-CD1 3.42Å
458	T	98.3	Very high	97	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-55.7	-46.1	178.9	-28.5	0	0	0	0	111.2	D449 G455 I461 A462 M470 F555	D449-T458 HydrophobicContact CB-CG2 3.84Å; D449-T458 WeakPolarHBondContact OD2-CB 3.3Å; D449-T458 WeakPolarHBondContact OD2-CG2 3.29Å; D449-T458 PolarHBondContact OD2-OG1 3.17Å; G455-T458 WeakPolarHBondContact CA-OG1 3.45Å; G455-T458 WeakPolarHBondContact O-CB 3.44Å; G455-T458 PolarHBondContact O-N 2.88Å; G455-T458 PolarHBondContact O-OG1 3.07Å; T458-I461 PolarHBondContact O-N 2.87Å; T458-A462 WeakPolarHBondContact O-CB 3.32Å; T458-A462 PolarHBondContact O-N 3.06Å; T458-M470 HydrophobicContact CG2-CG 3.64Å; T458-M470 HydrophobicContact CG2-SD 3.61Å; T458-F555 HydrophobicContact CG2-CE1 3.89Å; T458-F555 HydrophobicContact CG2-CZ 4.23Å
459	L	96.9	Very high	97	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-69.8	-44.9	177.2	-67.2	169.9	0	0	0	111.9	G455 L457 I461 A462 C463 N486 I487 Y490 F549 V553 F555	G455-L459 WeakPolarHBondContact O-CB 3.45Å; G455-L459 VanDerWaalsContact O-CG 3.27Å; G455-L459 WeakPolarHBondContact O-CG 3.41Å; G455-L459 PolarHBondContact O-N 3.25Å; L457-L459 VanDerWaalsContact C-N 3.31Å; L457-L459 PolarHBondContact O-N 2.87Å; L459-I461 PolarHBondContact O-N 2.98Å; L459-A462 PolarHBondContact O-N 3.3Å; L459-A462 VanDerWaalsContact O-N 3.13Å; L459-C463 PolarHBondContact O-N 3.34Å; L459-C463 PolarHBondContact O-SG 2.27Å; L459-N486 HydrophobicContact CD1-CB 3.59Å; L459-I487 HydrophobicContact CD2-CG1 3.78Å; L459-Y490 HydrophobicContact CB-CD1 3.99Å; L459-Y490 HydrophobicContact CB-CD2 3.63Å; L459-Y490 HydrophobicContact CB-CE1 3.91Å; L459-Y490 HydrophobicContact CB-CE2 3.56Å; L459-Y490 HydrophobicContact CB-CG 3.85Å; L459-Y490 HydrophobicContact CD1-CD2 3.58Å; L459-Y490 HydrophobicContact CD1-CE2 3.51Å; L459-Y490 HydrophobicContact CG-CD2 4.14Å; L459-Y490 HydrophobicContact CG-CE2 4.15Å; L459-F549 HydrophobicContact CD2-CE2 3.9Å; L459-F549 HydrophobicContact CD2-CZ 4.06Å; L459-V553 HydrophobicContact CD2-CG1 4.18Å; L459-V553 HydrophobicContact CD2-CG2 4.32Å; L459-F555 HydrophobicContact CD2-CE2 3.87Å; L459-F555 HydrophobicContact CD2-CZ 3.88Å; L459-F555 HydrophobicContact CG-CE2 4.38Å; L459-F555 HydrophobicContact CG-CZ 3.97Å
460	S	95.8	Very high	97	Very high	16 Å²	16	23.6 Å²	23.6	11%	0.112	13%	0.129	C	C	.	.	H	α-helix	trans	-56.7	-35.3	174.6	-70.6	0	0	0	0	113.1	H456 L457 K464 Y490	H456-S460 WeakPolarHBondContact O-CB 3.48Å; H456-S460 PolarHBondContact O-N 2.92Å; H456-S460 PolarHBondContact O-OG 3.45Å; H456-S460 VanDerWaalsContact O-OG 3.1Å; L457-S460 PolarHBondContact O-N 2.62Å; S460-K464 WeakPolarHBondContact O-CB 3.12Å; S460-K464 VanDerWaalsContact O-CG 3.27Å; S460-K464 WeakPolarHBondContact O-CG 3.4Å; S460-K464 PolarHBondContact O-N 3.03Å; S460-Y490 WeakPolarHBondContact OG-CE1 3.48Å
461	I	97.1	Very high	97	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-74.7	-45.9	174.8	-66.8	170.5	0	0	0	110.6	L434 L437 F442 L457 T458 L459 C463 W465 M470 L579	L434-I461 HydrophobicContact CD2-CG1 4.04Å; L437-I461 HydrophobicContact CD1-CD1 4Å; F442-I461 HydrophobicContact CB-CG2 4.11Å; F442-I461 HydrophobicContact CD1-CG2 3.69Å; F442-I461 HydrophobicContact CD2-CG2 4.38Å; F442-I461 HydrophobicContact CE1-CD1 4.28Å; F442-I461 HydrophobicContact CE1-CG2 4.21Å; F442-I461 HydrophobicContact CG-CG2 3.78Å; F442-I461 HydrophobicContact CZ-CD1 4.32Å; L457-I461 HydrophobicContact CD1-CD1 4.39Å; L457-I461 HydrophobicContact CD2-CD1 4.47Å; L457-I461 HydrophobicContact CG-CD1 4.01Å; L457-I461 WeakPolarHBondContact O-CG1 3.39Å; L457-I461 PolarHBondContact O-N 2.85Å; T458-I461 PolarHBondContact O-N 2.87Å; L459-I461 PolarHBondContact O-N 2.98Å; I461-C463 PolarHBondContact O-N 3.42Å; I461-W465 HydrophobicContact CB-CE3 4.26Å; I461-W465 HydrophobicContact CD1-CZ3 4.38Å; I461-W465 HydrophobicContact CG1-CE3 3.85Å; I461-W465 HydrophobicContact CG1-CZ3 3.81Å; I461-W465 HydrophobicContact CG2-CE3 3.98Å; I461-W465 PolarHBondContact O-N 3.45Å; I461-M470 HydrophobicContact CB-CE 3.89Å; I461-M470 HydrophobicContact CG2-CE 3.38Å; I461-L579 HydrophobicContact CD1-CD1 3.76Å
462	A	96.6	Very high	97	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-61.1	-40.4	-177.1	0	0	0	0	0	113.5	T458 L459 M470 F549 N552 V553	T458-A462 WeakPolarHBondContact O-CB 3.32Å; T458-A462 PolarHBondContact O-N 3.06Å; L459-A462 PolarHBondContact O-N 3.3Å; L459-A462 VanDerWaalsContact O-N 3.13Å; A462-M470 HydrophobicContact CB-CB 4.2Å; A462-M470 HydrophobicContact CB-CG 4.2Å; A462-F549 HydrophobicContact CB-CD2 3.82Å; A462-F549 HydrophobicContact CB-CE2 4.01Å; A462-N552 PolarHBondContact O-ND2 2.69Å; A462-N552 VanDerWaalsContact O-ND2 3.14Å; A462-V553 HydrophobicContact CB-CB 4.01Å; A462-V553 HydrophobicContact CB-CG1 4.48Å; A462-V553 HydrophobicContact CB-CG2 4.37Å
463	C	93.6	Very high	97	Very high	32 Å²	32	23.5 Å²	23.5	22%	0.216	12%	0.122	C	C	.	.	H	α-helix	trans	-84.8	-39.7	178.5	73.3	0	0	0	0	113.2	L459 I461 F549	L459-C463 PolarHBondContact O-N 3.34Å; L459-C463 PolarHBondContact O-SG 2.27Å; I461-C463 PolarHBondContact O-N 3.42Å; C463-F549 HydrophobicContact CB-CB 4.28Å; C463-F549 HydrophobicContact CB-CD1 3.82Å; C463-F549 HydrophobicContact CB-CD2 3.83Å; C463-F549 HydrophobicContact CB-CE1 4.06Å; C463-F549 HydrophobicContact CB-CE2 4.06Å; C463-F549 HydrophobicContact CB-CG 3.71Å; C463-F549 HydrophobicContact CB-CZ 4.18Å
464	K	93.4	Very high	97	Very high	113 Å²	113	23.7 Å²	23.7	49%	0.491	12%	0.123	S	C	.	.	H	α-helix	trans	-79.5	-32.4	-175	-64.2	-171.7	177.1	-165.6	0	114	E430 S460	E430-K464 IonicContact OE1-NZ 3.74Å; E430-K464 PolarHBondContact OE1-NZ 3.25Å; S460-K464 WeakPolarHBondContact O-CB 3.12Å; S460-K464 VanDerWaalsContact O-CG 3.27Å; S460-K464 WeakPolarHBondContact O-CG 3.4Å; S460-K464 PolarHBondContact O-N 3.03Å
465	W	96.6	Very high	97.1	Very high	29 Å²	29	25.9 Å²	25.9	11%	0.11	13%	0.134	C	C	.	.	H	α-helix	trans	-117.7	-5	-164.9	-59.5	-23.9	0	0	0	115.3	L434 L437 P439 F442 R443 I461	L434-W465 HydrophobicContact CB-CH2 4.34Å; L434-W465 HydrophobicContact CB-CZ2 4.47Å; L434-W465 HydrophobicContact CD2-CH2 3.58Å; L434-W465 HydrophobicContact CD2-CZ2 4.01Å; L434-W465 HydrophobicContact CD2-CZ3 4.04Å; L437-W465 HydrophobicContact CB-CH2 3.79Å; L437-W465 HydrophobicContact CB-CZ3 3.74Å; L437-W465 VanDerWaalsContact O-CH2 3.31Å; L437-W465 WeakPolarHBondContact O-CH2 3.32Å; P439-W465 HydrophobicContact CB-CB 4.36Å; P439-W465 HydrophobicContact CB-CD2 4.21Å; P439-W465 HydrophobicContact CB-CG 3.88Å; P439-W465 HydrophobicContact CG-CD2 4.29Å; P439-W465 HydrophobicContact CG-CG 4.3Å; P439-W465 HydrophobicContact CG-CZ2 4.42Å; F442-W465 HydrophobicContact CB-CB 4.24Å; F442-W465 HydrophobicContact CD2-CD2 4.4Å; F442-W465 AromaticContact CD2-CE3 3.36Å; F442-W465 HydrophobicContact CD2-CE3 3.36Å; F442-W465 AromaticContact CD2-CZ3 3.75Å; F442-W465 HydrophobicContact CD2-CZ3 3.75Å; F442-W465 AromaticContact CE2-CE3 3.73Å; F442-W465 HydrophobicContact CE2-CE3 3.73Å; F442-W465 AromaticContact CE2-CZ3 3.58Å; F442-W465 HydrophobicContact CE2-CZ3 3.58Å; F442-W465 HydrophobicContact CG-CE3 4.08Å; F442-W465 HydrophobicContact CZ-CZ3 4.42Å; R443-W465 WeakPolarHBondContact CA-O 3.46Å; R443-W465 WeakPolarHBondContact CB-O 3.47Å; I461-W465 HydrophobicContact CB-CE3 4.26Å; I461-W465 HydrophobicContact CD1-CZ3 4.38Å; I461-W465 HydrophobicContact CG1-CE3 3.85Å; I461-W465 HydrophobicContact CG1-CZ3 3.81Å; I461-W465 HydrophobicContact CG2-CE3 3.98Å; I461-W465 PolarHBondContact O-N 3.45Å
466	G	94.9	Very high	97.1	Very high	33 Å²	33	26.6 Å²	26.6	34%	0.34	14%	0.137	S	C	.	.			trans	62.4	56.2	169.9	0	0	0	0	0	115.7	R443 G444	R443-G466 WeakPolarHBondContact CA-O 3.39Å; G444-G466 PolarHBondContact N-O 3.19Å
467	P	98.1	Very high	97.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.			trans	-65.3	149	165.2	31.6	-34.6	0	0	0	111.3	F442 R445 V447 R469 M470 N552	F442-P467 WeakPolarHBondContact O-CA 3.49Å; F442-P467 WeakPolarHBondContact O-CB 3.47Å; R445-P467 VanDerWaalsContact O-CB 3.29Å; R445-P467 WeakPolarHBondContact O-CB 3.43Å; V447-P467 HydrophobicContact CG2-CB 3.88Å; P467-R469 PolarHBondContact O-N 3.39Å; P467-M470 HydrophobicContact CG-CB 4.15Å; P467-M470 HydrophobicContact CG-CE 4.3Å; P467-N552 PolarHBondContact O-ND2 2.79Å; P467-N552 VanDerWaalsContact O-ND2 3.17Å
468	S	97	Very high	97.1	Very high	37 Å²	37	33.9 Å²	33.9	26%	0.259	17%	0.173	S	C	.	.	S	Bend	trans	-63.6	-34.1	170.9	46.9	0	0	0	0	111.1	R445 D446	R445-S468 PolarHBondContact O-N 3.5Å; R445-S468 VanDerWaalsContact O-N 3.1Å; R445-S468 PolarHBondContact O-OG 3.21Å; D446-S468 PolarHBondContact N-OG 2.88Å; D446-S468 PolarHBondContact OD1-OG 3.25Å
469	R	98.1	Very high	97.1	Very high	118 Å²	118	34 Å²	34	45%	0.445	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	135.2	179.6	-174.3	178.7	173.1	78	-4.8	110.9	R445 D446 V447 P467 V471 N552	R445-R469 PolarHBondContact O-N 2.87Å; D446-R469 HydrophobicContact CB-CB 4.36Å; D446-R469 WeakPolarHBondContact OD1-CB 3.18Å; V447-R469 PolarHBondContact N-O 3.11Å; P467-R469 PolarHBondContact O-N 3.39Å; R469-V471 HydrophobicContact CG-CG2 4.1Å; R469-N552 CarbonylContact C-O 3.51Å; R469-N552 WeakPolarHBondContact CA-O 3.46Å
470	M	98.4	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.8	174.3	175.3	63.2	71	0	0	109.7	V447 D449 T458 I461 A462 P467 N552 V553 V554	V447-M470 HydrophobicContact CB-CE 3.79Å; V447-M470 HydrophobicContact CB-SD 3.95Å; V447-M470 HydrophobicContact CG1-CE 3.58Å; V447-M470 HydrophobicContact CG1-SD 3.78Å; V447-M470 HydrophobicContact CG2-CE 4.27Å; V447-M470 WeakPolarHBondContact O-CA 3.41Å; D449-M470 HydrophobicContact CB-SD 4.37Å; T458-M470 HydrophobicContact CG2-CG 3.64Å; T458-M470 HydrophobicContact CG2-SD 3.61Å; I461-M470 HydrophobicContact CB-CE 3.89Å; I461-M470 HydrophobicContact CG2-CE 3.38Å; A462-M470 HydrophobicContact CB-CB 4.2Å; A462-M470 HydrophobicContact CB-CG 4.2Å; P467-M470 HydrophobicContact CG-CB 4.15Å; P467-M470 HydrophobicContact CG-CE 4.3Å; M470-N552 PolarHBondContact N-O 3.27Å; M470-V553 HydrophobicContact CB-CB 4.23Å; M470-V553 HydrophobicContact CB-CG2 4.18Å; M470-V553 HydrophobicContact CG-CB 4.48Å; M470-V553 HydrophobicContact CG-CG2 3.92Å; M470-V553 WeakPolarHBondContact O-CA 3.36Å; M470-V554 PolarHBondContact O-N 3.41Å
471	V	98.8	Very high	97.2	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	105.9	179.3	-176.9	0	0	0	0	109.7	V447 L448 D449 R469 V554 V556 Y575	V447-V471 PolarHBondContact O-N 3.38Å; L448-V471 HydrophobicContact CD1-CB 4.01Å; L448-V471 HydrophobicContact CD1-CG1 3.89Å; D449-V471 PolarHBondContact N-O 3.06Å; R469-V471 HydrophobicContact CG-CG2 4.1Å; V471-V554 CarbonylContact C-O 3.42Å; V471-V554 WeakPolarHBondContact CA-O 3.47Å; V471-V554 HydrophobicContact CB-CG1 4.37Å; V471-V554 HydrophobicContact CG1-CG1 4.38Å; V471-V554 HydrophobicContact CG2-CG1 3.8Å; V471-V556 HydrophobicContact CG1-CG2 4.18Å; V471-Y575 HydrophobicContact CB-CE1 4.13Å; V471-Y575 HydrophobicContact CG2-CE1 3.72Å
472	G	98.8	Very high	97.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.1	172.4	0	0	0	0	0	111.7	C452 V554 F555 V556	C452-G472 VanDerWaalsContact SG-C 3.53Å; G472-V554 PolarHBondContact N-O 2.88Å; G472-F555 CarbonylContact O-C 3.55Å; G472-F555 WeakPolarHBondContact O-CA 3.26Å; G472-V556 PolarHBondContact O-N 3.19Å
473	L	98.8	Very high	97	Very high	21 Å²	21	40.8 Å²	40.8	11%	0.11	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.7	179.3	-176.7	68.9	0	0	0	111.5	L448 D449 L450 G451 C452 V556 Y560	L448-L473 HydrophobicContact CD1-CB 4.34Å; D449-L473 PolarHBondContact O-N 2.69Å; L450-L473 HydrophobicContact CD2-CB 4.43Å; L450-L473 HydrophobicContact CD2-CD2 3.89Å; G451-L473 WeakPolarHBondContact CA-O 3.46Å; G451-L473 PolarHBondContact N-O 3.1Å; C452-L473 PolarHBondContact N-O 2.85Å; C452-L473 VanDerWaalsContact N-O 3.12Å; L473-V556 HydrophobicContact CD1-CB 3.99Å; L473-V556 HydrophobicContact CD1-CG1 3.94Å; L473-Y560 HydrophobicContact CD2-CD2 3.59Å; L473-Y560 HydrophobicContact CD2-CG 4.19Å
474	D	98.8	Very high	97.1	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.064	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	155.5	171.3	-162.1	-69.7	0	0	0	110.6	N453 D476 I480 V556 T557 G558	N453-D474 VanDerWaalsContact CA-OD2 3.26Å; N453-D474 WeakPolarHBondContact CA-OD2 3.36Å; N453-D474 PolarHBondContact N-OD2 2.85Å; D474-D476 PolarHBondContact OD1-N 2.9Å; D474-I480 HydrophobicContact CB-CD1 3.82Å; D474-I480 HydrophobicContact CB-CG1 4Å; D474-V556 PolarHBondContact N-O 3.09Å; D474-T557 CarbonylContact O-C 3.01Å; D474-T557 VanDerWaalsContact O-CA 3.32Å; D474-T557 WeakPolarHBondContact O-CA 3.33Å; D474-G558 CarbonylContact C-O 3.49Å; D474-G558 PolarHBondContact O-N 2.8Å
475	I	98.2	Very high	97.1	Very high	56 Å²	56	44.8 Å²	44.8	29%	0.287	22%	0.22	S	C	.	.	S	Bend	trans	-80.3	-20.2	-178.9	-163.9	168.5	0	0	0	112.7	Y415 G558 N559 W591	Y415-I475 HydrophobicContact CD1-CD1 4.25Å; Y415-I475 HydrophobicContact CD2-CG2 4.27Å; Y415-I475 HydrophobicContact CE1-CD1 4.22Å; Y415-I475 HydrophobicContact CG-CD1 4.48Å; Y415-I475 HydrophobicContact CG-CG2 4.09Å; I475-G558 WeakPolarHBondContact CA-O 3.2Å; I475-N559 HydrophobicContact CD1-CB 3.87Å; I475-N559 HydrophobicContact CG1-CB 4.24Å; I475-W591 HydrophobicContact CD1-CH2 3.78Å; I475-W591 HydrophobicContact CD1-CZ2 4.03Å
476	D	97.7	Very high	96.9	Very high	14 Å²	14	44.8 Å²	44.8	8%	0.075	22%	0.222	C	C	.	.			trans	-100.5	104.9	-178.2	-165.3	-30.5	0	0	0	111.4	N417 D474 R478 L479 I480	N417-D476 HydrophobicContact CB-CB 3.98Å; N417-D476 PolarHBondContact ND2-OD2 3.06Å; D474-D476 PolarHBondContact OD1-N 2.9Å; D476-R478 PolarHBondContact O-N 3.31Å; D476-R478 WeakPolarHBondContact OD1-CB 3.48Å; D476-R478 IonicContact OD1-CZ 3.28Å; D476-R478 PolarHBondContact OD1-N 3.43Å; D476-R478 VanDerWaalsContact OD1-N 3.15Å; D476-R478 IonicContact OD1-NE 3.52Å; D476-R478 PolarHBondContact OD1-NE 3.07Å; D476-R478 IonicContact OD1-NH2 3.06Å; D476-R478 PolarHBondContact OD1-NH2 3.16Å; D476-R478 IonicContact OD2-CZ 2.8Å; D476-R478 IonicContact OD2-NE 3.24Å; D476-R478 IonicContact OD2-NH2 3.76Å; D476-R478 PolarHBondContact OD2-NH2 2.96Å; D476-L479 HydrophobicContact CB-CB 4.37Å; D476-L479 HydrophobicContact CB-CD1 3.88Å; D476-L479 HydrophobicContact CB-CG 3.84Å; D476-L479 WeakPolarHBondContact O-CB 3.36Å; D476-L479 PolarHBondContact O-N 2.91Å; D476-I480 PolarHBondContact O-N 3.49Å
477	S	97.4	Very high	96.7	Very high	73 Å²	73	44.7 Å²	44.7	51%	0.51	21%	0.214	S	C	.	.	H	α-helix	trans	-53.6	-24.3	179.7	49.8	0	0	0	0	114.3	H481	S477-H481 WeakPolarHBondContact O-CB 3.45Å; S477-H481 PolarHBondContact O-N 2.98Å
478	R	96.6	Very high	96	Very high	150 Å²	150	48 Å²	48	57%	0.566	23%	0.226	S	C	*	.	H	α-helix	trans	-75.3	-34.4	177.4	-56.6	167.2	-65.3	-165.8	1.9	111.6	D476 S482	D476-R478 PolarHBondContact O-N 3.31Å; D476-R478 WeakPolarHBondContact OD1-CB 3.48Å; D476-R478 IonicContact OD1-CZ 3.28Å; D476-R478 PolarHBondContact OD1-N 3.43Å; D476-R478 VanDerWaalsContact OD1-N 3.15Å; D476-R478 IonicContact OD1-NE 3.52Å; D476-R478 PolarHBondContact OD1-NE 3.07Å; D476-R478 IonicContact OD1-NH2 3.06Å; D476-R478 PolarHBondContact OD1-NH2 3.16Å; D476-R478 IonicContact OD2-CZ 2.8Å; D476-R478 IonicContact OD2-NE 3.24Å; D476-R478 IonicContact OD2-NH2 3.76Å; D476-R478 PolarHBondContact OD2-NH2 2.96Å; R478-S482 PolarHBondContact O-N 2.85Å; R478-S482 PolarHBondContact O-OG 3.13Å
479	L	96.8	Very high	95.3	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-71.6	-40.5	174.4	-56.1	-177.9	0	0	0	110.4	N417 C419 N453 V454 D476 H481 S482 A483	N417-L479 HydrophobicContact CB-CD1 3.75Å; C419-L479 HydrophobicContact CB-CD2 3.86Å; N453-L479 WeakPolarHBondContact ND2-CD1 3.35Å; V454-L479 HydrophobicContact CG1-CB 4.26Å; V454-L479 HydrophobicContact CG1-CD2 3.75Å; D476-L479 HydrophobicContact CB-CB 4.37Å; D476-L479 HydrophobicContact CB-CD1 3.88Å; D476-L479 HydrophobicContact CB-CG 3.84Å; D476-L479 WeakPolarHBondContact O-CB 3.36Å; D476-L479 PolarHBondContact O-N 2.91Å; L479-H481 VanDerWaalsContact C-N 3.35Å; L479-H481 PolarHBondContact O-N 3.15Å; L479-S482 CarbonylContact O-C 3.58Å; L479-S482 WeakPolarHBondContact O-CB 3.35Å; L479-S482 PolarHBondContact O-N 3.49Å; L479-A483 WeakPolarHBondContact O-CB 3.33Å; L479-A483 PolarHBondContact O-N 3.05Å
480	I	98	Very high	94.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-40.1	172.1	-68	-63	0	0	0	112.1	D474 D476 A483 R484 F555 V556	D474-I480 HydrophobicContact CB-CD1 3.82Å; D474-I480 HydrophobicContact CB-CG1 4Å; D476-I480 PolarHBondContact O-N 3.49Å; I480-A483 PolarHBondContact O-N 3.18Å; I480-R484 WeakPolarHBondContact O-CG 3.39Å; I480-R484 PolarHBondContact O-N 2.8Å; I480-F555 HydrophobicContact CD1-CB 4.13Å; I480-F555 HydrophobicContact CD1-CD1 4.36Å; I480-F555 HydrophobicContact CG2-CB 4.03Å; I480-V556 WeakPolarHBondContact CD1-O 3.4Å; I480-V556 WeakPolarHBondContact CG1-O 3.3Å
481	H	96.5	Very high	93.7	Very high	109 Å²	109	45.8 Å²	45.8	51%	0.505	22%	0.216	S	C	.	.	H	α-helix	trans	-60.6	-48.2	171	-175.5	92.2	0	0	0	111.3	S477 L479 A483 R484 Q485	S477-H481 WeakPolarHBondContact O-CB 3.45Å; S477-H481 PolarHBondContact O-N 2.98Å; L479-H481 VanDerWaalsContact C-N 3.35Å; L479-H481 PolarHBondContact O-N 3.15Å; H481-A483 VanDerWaalsContact C-N 3.33Å; H481-A483 PolarHBondContact O-N 3.34Å; H481-R484 PolarHBondContact O-N 2.92Å; H481-Q485 WeakPolarHBondContact O-CG 3.12Å; H481-Q485 PolarHBondContact O-N 3.41Å
482	S	95.4	Very high	92.1	Very high	49 Å²	49	46.2 Å²	46.2	34%	0.343	22%	0.22	S	C	.	.	H	α-helix	trans	-60.7	-37.6	174.8	-67.4	0	0	0	0	113.4	R478 L479 Q485 N486	R478-S482 PolarHBondContact O-N 2.85Å; R478-S482 PolarHBondContact O-OG 3.13Å; L479-S482 CarbonylContact O-C 3.58Å; L479-S482 WeakPolarHBondContact O-CB 3.35Å; L479-S482 PolarHBondContact O-N 3.49Å; S482-Q485 CarbonylContact O-C 3.52Å; S482-Q485 PolarHBondContact O-N 2.6Å; S482-N486 WeakPolarHBondContact O-CB 3.5Å; S482-N486 PolarHBondContact O-N 3.25Å; S482-N486 PolarHBondContact O-ND2 3Å
483	A	95.6	Very high	90.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-42.9	177.1	0	0	0	0	0	111.8	V454 L479 I480 H481 N486 I487 F555	V454-A483 WeakPolarHBondContact O-CA 3.44Å; L479-A483 WeakPolarHBondContact O-CB 3.33Å; L479-A483 PolarHBondContact O-N 3.05Å; I480-A483 PolarHBondContact O-N 3.18Å; H481-A483 VanDerWaalsContact C-N 3.33Å; H481-A483 PolarHBondContact O-N 3.34Å; A483-N486 WeakPolarHBondContact O-CB 3.46Å; A483-N486 PolarHBondContact O-N 2.95Å; A483-N486 VanDerWaalsContact O-N 3.09Å; A483-I487 PolarHBondContact O-N 3.35Å; A483-F555 HydrophobicContact CB-CD1 3.65Å; A483-F555 HydrophobicContact CB-CD2 4.1Å; A483-F555 HydrophobicContact CB-CE1 3.72Å; A483-F555 HydrophobicContact CB-CE2 4.16Å; A483-F555 HydrophobicContact CB-CG 3.86Å; A483-F555 HydrophobicContact CB-CZ 3.98Å
484	R	95.1	Very high	88.7	Confident	136 Å²	136	54.4 Å²	54.4	51%	0.513	26%	0.257	S	S	.	.	H	α-helix	trans	-62.6	-41.6	172.2	-65.4	170.3	-176	-177.2	-0.8	111.9	I480 H481 N486 I487 F555	I480-R484 WeakPolarHBondContact O-CG 3.39Å; I480-R484 PolarHBondContact O-N 2.8Å; H481-R484 PolarHBondContact O-N 2.92Å; R484-N486 PolarHBondContact O-N 2.88Å; R484-I487 PolarHBondContact O-N 2.99Å; R484-F555 HydrophobicContact CG-CB 3.98Å; R484-F555 HydrophobicContact CG-CD2 4.15Å; R484-F555 HydrophobicContact CG-CG 4.45Å; R484-F555 PolarHBondContact NE-O 3.3Å; R484-F555 PolarHBondContact NH2-O 2.95Å
485	Q	92.4	Very high	86.7	Confident	92 Å²	92	58.1 Å²	58.1	43%	0.43	28%	0.277	S	S	.	.	H	α-helix	trans	-68.5	-16.7	173.8	-63.6	-60.5	-20.5	0	0	113.7	H481 S482 R488	H481-Q485 WeakPolarHBondContact O-CG 3.12Å; H481-Q485 PolarHBondContact O-N 3.41Å; S482-Q485 CarbonylContact O-C 3.52Å; S482-Q485 PolarHBondContact O-N 2.6Å; Q485-R488 VanDerWaalsContact O-CD 3.28Å; Q485-R488 WeakPolarHBondContact O-CD 3.28Å; Q485-R488 WeakPolarHBondContact O-CG 3.24Å; Q485-R488 PolarHBondContact O-NE 2.71Å
486	N	92.4	Very high	84.6	Confident	30 Å²	30	62.5 Å²	62.5	16%	0.16	29%	0.29	C	S	.	.	H	α-helix	trans	-82.7	-24.4	178.5	-79.2	-16.9	0	0	0	113.2	V454 H456 L459 S482 A483 R484 R488 H489	V454-N486 PolarHBondContact O-ND2 2.83Å; H456-N486 PolarHBondContact CD2-ND2 3.23Å; H456-N486 PolarHBondContact NE2-ND2 3.33Å; L459-N486 HydrophobicContact CD1-CB 3.59Å; S482-N486 WeakPolarHBondContact O-CB 3.5Å; S482-N486 PolarHBondContact O-N 3.25Å; S482-N486 PolarHBondContact O-ND2 3Å; A483-N486 WeakPolarHBondContact O-CB 3.46Å; A483-N486 PolarHBondContact O-N 2.95Å; A483-N486 VanDerWaalsContact O-N 3.09Å; R484-N486 PolarHBondContact O-N 2.88Å; N486-R488 VanDerWaalsContact C-N 3.25Å; N486-R488 PolarHBondContact O-N 2.98Å; N486-R488 VanDerWaalsContact O-N 3.15Å; N486-H489 WeakPolarHBondContact O-CB 3.45Å; N486-H489 PolarHBondContact O-N 3.36Å
487	I	91.3	Very high	82.2	Confident	30 Å²	30	67.7 Å²	67.7	15%	0.154	32%	0.316	C	S	.	.	H	α-helix	trans	-47.3	-47.6	-179.5	-65.3	167.5	0	0	0	111.9	L459 A483 R484 H489 Y490 L491 F549 P550 F555	L459-I487 HydrophobicContact CD2-CG1 3.78Å; A483-I487 PolarHBondContact O-N 3.35Å; R484-I487 PolarHBondContact O-N 2.99Å; I487-H489 PolarHBondContact O-N 3.26Å; I487-H489 VanDerWaalsContact O-N 3.16Å; I487-Y490 PolarHBondContact O-N 2.87Å; I487-Y490 VanDerWaalsContact O-N 3.14Å; I487-L491 HydrophobicContact CG2-CD1 4.22Å; I487-L491 HydrophobicContact CG2-CG 4.4Å; I487-L491 PolarHBondContact O-N 3.11Å; I487-L491 VanDerWaalsContact O-N 3.16Å; I487-F549 HydrophobicContact CG2-CZ 4.15Å; I487-P550 HydrophobicContact CG2-CB 3.57Å; I487-P550 HydrophobicContact CG2-CG 4.49Å; I487-F555 HydrophobicContact CD1-CD2 4.39Å; I487-F555 HydrophobicContact CD1-CE2 4.28Å; I487-F555 HydrophobicContact CG1-CE2 4.18Å
488	R	83.9	Confident	79.5	Confident	71 Å²	71	69.2 Å²	69.2	27%	0.268	33%	0.325	S	S	.	.	H	α-helix	trans	-57.7	-27.8	-179.5	71.9	-161.4	180	119.6	18.7	114.9	Q485 N486 S492 R531 P533	Q485-R488 VanDerWaalsContact O-CD 3.28Å; Q485-R488 WeakPolarHBondContact O-CD 3.28Å; Q485-R488 WeakPolarHBondContact O-CG 3.24Å; Q485-R488 PolarHBondContact O-NE 2.71Å; N486-R488 VanDerWaalsContact C-N 3.25Å; N486-R488 PolarHBondContact O-N 2.98Å; N486-R488 VanDerWaalsContact O-N 3.15Å; R488-S492 PolarHBondContact O-N 3.14Å; R488-R531 VanDerWaalsContact CZ-O 3.3Å; R488-R531 PolarHBondContact NH1-O 3.49Å; R488-R531 PolarHBondContact NH2-O 3.35Å; R488-P533 WeakPolarHBondContact O-CG 3.45Å
489	H	82.8	Confident	76.8	Confident	61 Å²	61	67.4 Å²	67.4	28%	0.282	33%	0.332	S	S	.	.	H	α-helix	trans	-69.9	-45.4	178.2	-70.2	-88	0	0	0	110.2	N486 I487 S492 E493	N486-H489 WeakPolarHBondContact O-CB 3.45Å; N486-H489 PolarHBondContact O-N 3.36Å; I487-H489 PolarHBondContact O-N 3.26Å; I487-H489 VanDerWaalsContact O-N 3.16Å; H489-S492 WeakPolarHBondContact O-CB 3.31Å; H489-S492 PolarHBondContact O-N 3.24Å; H489-S492 VanDerWaalsContact O-N 3.07Å; H489-S492 PolarHBondContact O-OG 2.91Å; H489-E493 PolarHBondContact O-N 2.88Å
490	Y	83.9	Confident	74.1	Confident	25 Å²	25	76.3 Å²	76.3	10%	0.098	37%	0.374	C	S	.	.	H	α-helix	trans	-65.7	-39.3	177.9	-70.2	-94.9	0	0	0	112.3	H456 L459 S460 I487 S492 E493 E494	H456-Y490 VanDerWaalsContact CA-OH 3.31Å; H456-Y490 WeakPolarHBondContact CA-OH 3.34Å; H456-Y490 WeakPolarHBondContact CB-OH 3.34Å; H456-Y490 PolarHBondContact O-OH 3.39Å; L459-Y490 HydrophobicContact CB-CD1 3.99Å; L459-Y490 HydrophobicContact CB-CD2 3.63Å; L459-Y490 HydrophobicContact CB-CE1 3.91Å; L459-Y490 HydrophobicContact CB-CE2 3.56Å; L459-Y490 HydrophobicContact CB-CG 3.85Å; L459-Y490 HydrophobicContact CD1-CD2 3.58Å; L459-Y490 HydrophobicContact CD1-CE2 3.51Å; L459-Y490 HydrophobicContact CG-CD2 4.14Å; L459-Y490 HydrophobicContact CG-CE2 4.15Å; S460-Y490 WeakPolarHBondContact OG-CE1 3.48Å; I487-Y490 PolarHBondContact O-N 2.87Å; I487-Y490 VanDerWaalsContact O-N 3.14Å; Y490-S492 PolarHBondContact O-N 3.08Å; Y490-S492 VanDerWaalsContact O-N 3.16Å; Y490-E493 PolarHBondContact O-N 3.36Å; Y490-E494 PolarHBondContact O-N 2.89Å
491	L	78.9	Confident	71.2	Confident	22 Å²	22	81.7 Å²	81.7	12%	0.115	41%	0.407	C	S	.	.	H	α-helix	trans	-55.5	-32.6	171.3	-68.3	175.4	0	0	0	112.7	I487 L495 P537 F549 P550	I487-L491 HydrophobicContact CG2-CD1 4.22Å; I487-L491 HydrophobicContact CG2-CG 4.4Å; I487-L491 PolarHBondContact O-N 3.11Å; I487-L491 VanDerWaalsContact O-N 3.16Å; L491-L495 VanDerWaalsContact O-CB 3.29Å; L491-L495 WeakPolarHBondContact O-CB 3.14Å; L491-L495 WeakPolarHBondContact O-CD1 3.32Å; L491-L495 WeakPolarHBondContact O-CG 3.33Å; L491-L495 PolarHBondContact O-N 2.9Å; L491-P537 HydrophobicContact CD1-CB 3.95Å; L491-P537 HydrophobicContact CD1-CG 4.39Å; L491-F549 HydrophobicContact CD2-CD1 3.64Å; L491-F549 HydrophobicContact CD2-CE1 3.58Å; L491-F549 HydrophobicContact CG-CD1 4.44Å; L491-F549 HydrophobicContact CG-CE1 3.88Å; L491-P550 HydrophobicContact CD1-CG 4.28Å; L491-P550 HydrophobicContact CD2-CB 4.14Å; L491-P550 HydrophobicContact CD2-CG 4Å
492	S	64.4	Low	68.5	Low	16 Å²	16	83 Å²	83	11%	0.112	42%	0.422	C	S	.	.	H	α-helix	trans	-85	-13.5	179	81.6	0	0	0	0	115.1	R488 H489 Y490 R496 P533	R488-S492 PolarHBondContact O-N 3.14Å; H489-S492 WeakPolarHBondContact O-CB 3.31Å; H489-S492 PolarHBondContact O-N 3.24Å; H489-S492 VanDerWaalsContact O-N 3.07Å; H489-S492 PolarHBondContact O-OG 2.91Å; Y490-S492 PolarHBondContact O-N 3.08Å; Y490-S492 VanDerWaalsContact O-N 3.16Å; S492-R496 WeakPolarHBondContact O-CB 3.34Å; S492-R496 VanDerWaalsContact O-CG 3.28Å; S492-R496 WeakPolarHBondContact O-CG 3.14Å; S492-P533 WeakPolarHBondContact OG-CG 3.47Å
493	E	65.1	Low	66	Low	113 Å²	113	89.5 Å²	89.5	53%	0.528	45%	0.447	S	S	.	.	H	α-helix	trans	-82.8	-43.7	169.9	-67.7	178.5	172.5	0	0	109	H489 Y490 R496 L497	H489-E493 PolarHBondContact O-N 2.88Å; Y490-E493 PolarHBondContact O-N 3.36Å; E493-R496 WeakPolarHBondContact O-CB 3.5Å; E493-R496 PolarHBondContact O-N 2.94Å; E493-R496 VanDerWaalsContact O-N 3.12Å; E493-L497 PolarHBondContact O-N 2.86Å
494	E	60.8	Low	63.1	Low	80 Å²	80	92.6 Å²	92.6	37%	0.374	48%	0.479	S	S	.	.	H	α-helix	trans	-60	-50.1	172.7	-174.1	170.5	-156.7	0	0	112.1	Y490 R496 L497 F549	Y490-E494 PolarHBondContact O-N 2.89Å; E494-R496 PolarHBondContact O-N 3.23Å; E494-L497 PolarHBondContact O-N 3.23Å; E494-L497 VanDerWaalsContact O-N 3.1Å; E494-F549 WeakPolarHBondContact OE2-CD1 3.42Å
495	L	57.7	Low	60	Low	89 Å²	89	93.5 Å²	93.5	47%	0.466	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-6	174.8	-71.6	170.3	0	0	0	114.8	L491 R520	L491-L495 VanDerWaalsContact O-CB 3.29Å; L491-L495 WeakPolarHBondContact O-CB 3.14Å; L491-L495 WeakPolarHBondContact O-CD1 3.32Å; L491-L495 WeakPolarHBondContact O-CG 3.33Å; L491-L495 PolarHBondContact O-N 2.9Å; L495-R520 PolarHBondContact O-NH1 3.15Å
496	R	54.6	Low	57.8	Low	149 Å²	149	95.3 Å²	95.3	56%	0.562	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-18.2	173.9	-95.2	-176.2	169.3	98.1	-0.7	113.5	S492 E493 E494	S492-R496 WeakPolarHBondContact O-CB 3.34Å; S492-R496 VanDerWaalsContact O-CG 3.28Å; S492-R496 WeakPolarHBondContact O-CG 3.14Å; E493-R496 WeakPolarHBondContact O-CB 3.5Å; E493-R496 PolarHBondContact O-N 2.94Å; E493-R496 VanDerWaalsContact O-N 3.12Å; E494-R496 PolarHBondContact O-N 3.23Å
497	L	47.4	Very low	55.3	Low	122 Å²	122	97.2 Å²	97.2	64%	0.639	54%	0.54	S	S	*	.	S	Bend	trans	-67.4	141.7	167.9	-59.5	176.1	0	0	0	108.3	E493 E494	E493-L497 PolarHBondContact O-N 2.86Å; E494-L497 PolarHBondContact O-N 3.23Å; E494-L497 VanDerWaalsContact O-N 3.1Å
498	P	39.2	Very low	52.6	Low	105 Å²	105	100.5 Å²	100.5	68%	0.682	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-55.6	142.5	163.1	-20.3	32.4	0	0	0	108.9	Q500	P498-Q500 PolarHBondContact O-N 2.98Å; P498-Q500 VanDerWaalsContact O-N 3.17Å
499	P	41.1	Very low	50.6	Low	112 Å²	112	107.1 Å²	107.1	73%	0.727	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-56.7	126.2	163	27.4	-32.5	0	0	0	106.9	T501	P499-T501 PolarHBondContact O-N 2.02Å
500	Q	39.4	Very low	48.3	Very low	191 Å²	191	107.6 Å²	107.6	89%	0.893	63%	0.627	S	S	*	*			trans	-66.9	105.9	174.6	-72	-163.1	73.1	0	0	107.4	P498 V502	P498-Q500 PolarHBondContact O-N 2.98Å; P498-Q500 VanDerWaalsContact O-N 3.17Å; Q500-V502 PolarHBondContact O-N 3.3Å
501	T	37.1	Very low	46	Very low	113 Å²	113	116 Å²	116	69%	0.693	67%	0.667	S	S	*	*			trans	-56	122.6	169.3	39.9	0	0	0	0	107.6	P499 E503	P499-T501 PolarHBondContact O-N 2.02Å; T501-E503 PolarHBondContact O-N 3.29Å; T501-E503 VanDerWaalsContact O-N 3.08Å
502	V	40.2	Very low	44.3	Very low	136 Å²	136	124 Å²	124	82%	0.824	70%	0.704	S	S	*	*			trans	-66.6	110.9	171.5	-173.4	0	0	0	0	105.9	Q500 G504	Q500-V502 PolarHBondContact O-N 3.3Å; V502-G504 PolarHBondContact O-N 3.42Å
503	E	42.5	Very low	42.8	Very low	186 Å²	186	126 Å²	126	87%	0.869	73%	0.728	S	S	*	*			trans	-56.9	106.6	173.8	-72.4	-86.5	125.4	0	0	108	T501	T501-E503 PolarHBondContact O-N 3.29Å; T501-E503 VanDerWaalsContact O-N 3.08Å
504	G	35.9	Very low	41.5	Very low	65 Å²	65	126.9 Å²	126.9	67%	0.67	74%	0.741	S	S	*	*			trans	-164.6	88.3	-162.9	0	0	0	0	0	112.7	V502	V502-G504 PolarHBondContact O-N 3.42Å
505	D	30	Very low	40	Very low	155 Å²	155	129 Å²	129	83%	0.829	76%	0.76	S	S	*	*			trans	74.2	113.7	163.9	-148.4	29.4	0	0	0	118.7
506	P	45.5	Very low	38.8	Very low	131 Å²	131	130.4 Å²	130.4	85%	0.851	77%	0.772	S	S	*	*			trans	-97.4	88.7	174.4	36	-29.3	0	0	0	111.7
507	G	38.9	Very low	37.9	Very low	69 Å²	69	129.5 Å²	129.5	71%	0.711	78%	0.783	S	S	*	*			trans	-167.9	43	-171.5	0	0	0	0	0	119.6
508	A	36.3	Very low	37.4	Very low	100 Å²	100	134.5 Å²	134.5	83%	0.826	79%	0.793	S	S	*	*			trans	-153.6	103.7	166.8	0	0	0	0	0	112.8
509	E	41.9	Very low	37.3	Very low	210 Å²	210	139 Å²	139	98%	0.981	80%	0.802	S	S	*	*			trans	-91.2	116.5	164.2	-64	-166.4	-179.7	0	0	108.8
510	G	34	Very low	37.8	Very low	70 Å²	70	143 Å²	143	72%	0.722	80%	0.802	S	S	*	*			trans	-170.4	105.9	-172.7	0	0	0	0	0	115.2
511	E	35.4	Very low	38.2	Very low	201 Å²	201	138.4 Å²	138.4	94%	0.939	79%	0.792	S	S	*	*			trans	65.2	145.8	162.1	-58.9	-155.6	122.6	0	0	121.5	G513	E511-G513 PolarHBondContact O-N 3.37Å; E511-G513 VanDerWaalsContact O-N 3.07Å
512	E	42.4	Very low	39.2	Very low	190 Å²	190	137.9 Å²	137.9	89%	0.888	79%	0.791	S	S	*	*			trans	-89.5	59.2	-163.5	-163.4	173.7	-166.9	0	0	113	T514	E512-T514 PolarHBondContact O-N 3.23Å
513	G	32.8	Very low	40.2	Very low	60 Å²	60	135.6 Å²	135.6	62%	0.619	77%	0.771	S	S	*	*			trans	-70.8	105.9	177.5	0	0	0	0	0	112.7	E511 T515	E511-G513 PolarHBondContact O-N 3.37Å; E511-G513 VanDerWaalsContact O-N 3.07Å; G513-T515 VanDerWaalsContact C-N 3.28Å; G513-T515 PolarHBondContact O-N 3.33Å
514	T	37.4	Very low	41.4	Very low	130 Å²	130	130.5 Å²	130.5	80%	0.798	75%	0.754	S	S	*	*			trans	-67.6	79.9	177.3	-63.2	0	0	0	0	112.1	E512 T516	E512-T514 PolarHBondContact O-N 3.23Å; T514-T516 PolarHBondContact O-N 2.88Å; T514-T516 VanDerWaalsContact O-N 3.11Å
515	T	29.3	Very low	42.7	Very low	124 Å²	124	128.9 Å²	128.9	76%	0.761	73%	0.734	S	S	*	*			trans	-72.6	100.7	170.4	38.9	0	0	0	0	110	G513 V517	G513-T515 VanDerWaalsContact C-N 3.28Å; G513-T515 PolarHBondContact O-N 3.33Å; T515-V517 PolarHBondContact O-N 2.89Å
516	T	33.3	Very low	44.3	Very low	119 Å²	119	124.8 Å²	124.8	73%	0.73	72%	0.718	S	S	*	*			trans	-62	100.3	173.9	58.1	0	0	0	0	110	T514 R518	T514-T516 PolarHBondContact O-N 2.88Å; T514-T516 VanDerWaalsContact O-N 3.11Å; T516-R518 VanDerWaalsContact C-N 3.32Å; T516-R518 PolarHBondContact O-N 2.82Å
517	V	36.9	Very low	45.4	Very low	130 Å²	130	121.1 Å²	121.1	79%	0.788	69%	0.69	S	S	*	*			trans	-61.9	96.6	171.7	178.9	0	0	0	0	107.8	T515 K519	T515-V517 PolarHBondContact O-N 2.89Å; V517-K519 VanDerWaalsContact C-N 3.32Å; V517-K519 PolarHBondContact O-N 3.08Å
518	R	35.3	Very low	46.6	Very low	228 Å²	228	119.3 Å²	119.3	86%	0.86	67%	0.666	S	S	*	*			trans	-58.5	97.6	171.2	-91.5	-176.8	165.4	177.8	-3.4	107.6	T516 R520	T516-R518 VanDerWaalsContact C-N 3.32Å; T516-R518 PolarHBondContact O-N 2.82Å; R518-R520 VanDerWaalsContact C-N 3.31Å; R518-R520 PolarHBondContact O-N 3.25Å
519	K	37.8	Very low	47.7	Very low	198 Å²	198	118.3 Å²	118.3	86%	0.861	66%	0.657	S	S	*	*			trans	-51.5	99.7	164.5	-83.8	-177.3	173.9	175.6	0	107	V517 S521	V517-K519 VanDerWaalsContact C-N 3.32Å; V517-K519 PolarHBondContact O-N 3.08Å; K519-S521 PolarHBondContact O-N 2.94Å
520	R	50.4	Low	48.5	Very low	196 Å²	196	112.4 Å²	112.4	74%	0.74	64%	0.639	S	S	*	*			trans	-56.2	113	176.5	-71.5	-177.3	176.9	-179.7	-0.2	106.2	L495 R518 C522	L495-R520 PolarHBondContact O-NH1 3.15Å; R518-R520 VanDerWaalsContact C-N 3.31Å; R518-R520 PolarHBondContact O-N 3.25Å; R520-C522 VanDerWaalsContact C-N 3.33Å; R520-C522 PolarHBondContact O-N 2.97Å
521	S	49.1	Very low	50	Low	96 Å²	96	118 Å²	118	67%	0.671	64%	0.638	S	S	*	*			trans	-66.8	91.8	-172.2	54.5	0	0	0	0	109.8	K519 F523	K519-S521 PolarHBondContact O-N 2.94Å; S521-F523 PolarHBondContact O-N 3.16Å; S521-F523 VanDerWaalsContact O-N 3.11Å
522	C	56.9	Low	51.1	Low	101 Å²	101	108.5 Å²	108.5	68%	0.682	60%	0.595	S	S	*	*			trans	-65.4	112.7	178.4	-166.7	0	0	0	0	108.3	R520	R520-C522 VanDerWaalsContact C-N 3.33Å; R520-C522 PolarHBondContact O-N 2.97Å
523	F	61.1	Low	51.9	Low	88 Å²	88	100.2 Å²	100.2	39%	0.386	56%	0.557	S	S	.	*			trans	-62.6	144.7	172.6	-66.6	-80.5	0	0	0	109.6	S521 A525 I534	S521-F523 PolarHBondContact O-N 3.16Å; S521-F523 VanDerWaalsContact O-N 3.11Å; F523-A525 PolarHBondContact O-N 3.03Å; F523-I534 HydrophobicContact CB-CD1 4.49Å; F523-I534 HydrophobicContact CD1-CD1 3.58Å; F523-I534 HydrophobicContact CD2-CB 3.84Å; F523-I534 HydrophobicContact CD2-CD1 4.09Å; F523-I534 HydrophobicContact CD2-CG1 4.44Å; F523-I534 HydrophobicContact CD2-CG2 4.15Å; F523-I534 HydrophobicContact CE1-CD1 3.7Å; F523-I534 HydrophobicContact CE1-CG2 4.35Å; F523-I534 HydrophobicContact CE2-CB 3.72Å; F523-I534 HydrophobicContact CE2-CD1 4.2Å; F523-I534 HydrophobicContact CE2-CG2 3.49Å; F523-I534 VanDerWaalsContact CE2-CG2 3.49Å; F523-I534 HydrophobicContact CG-CB 4.4Å; F523-I534 HydrophobicContact CG-CD1 3.79Å; F523-I534 HydrophobicContact CZ-CB 4.19Å; F523-I534 HydrophobicContact CZ-CD1 4.01Å; F523-I534 HydrophobicContact CZ-CG2 3.61Å
524	P	69.6	Low	53.2	Low	80 Å²	80	101.4 Å²	101.4	52%	0.519	55%	0.549	S	S	.	.			trans	-46.8	141.1	-177.6	-30.8	35.6	0	0	0	112.9	S526 L527 T528	P524-S526 PolarHBondContact O-N 3.14Å; P524-S526 VanDerWaalsContact O-N 3.16Å; P524-L527 HydrophobicContact CB-CB 4.47Å; P524-L527 WeakPolarHBondContact O-CA 3.15Å; P524-L527 WeakPolarHBondContact O-CB 3.43Å; P524-L527 PolarHBondContact O-N 3.16Å; P524-T528 PolarHBondContact O-N 3.16Å
525	A	62.1	Low	54.1	Low	31 Å²	31	97.9 Å²	97.9	26%	0.256	53%	0.533	S	S	.	.	H	α-helix	trans	-55.7	-37.3	-176.4	0	0	0	0	0	112.1	L241 N242 F523 L527 T528 A529	L241-A525 HydrophobicContact CB-CB 3.79Å; L241-A525 HydrophobicContact CD1-CB 4.47Å; N242-A525 WeakPolarHBondContact OD1-CB 3.43Å; F523-A525 PolarHBondContact O-N 3.03Å; A525-L527 VanDerWaalsContact C-N 3.31Å; A525-L527 PolarHBondContact O-N 3Å; A525-T528 PolarHBondContact O-N 3.32Å; A525-A529 VanDerWaalsContact O-CB 3.3Å; A525-A529 WeakPolarHBondContact O-CB 3.42Å; A525-A529 PolarHBondContact O-N 3.09Å
526	S	64.6	Low	55.2	Low	69 Å²	69	95.7 Å²	95.7	48%	0.483	53%	0.527	S	S	.	.	H	α-helix	trans	-59	-34.8	172.3	56.4	0	0	0	0	114	P524 S530	P524-S526 PolarHBondContact O-N 3.14Å; P524-S526 VanDerWaalsContact O-N 3.16Å; S526-S530 VanDerWaalsContact O-CB 3.23Å; S526-S530 WeakPolarHBondContact O-CB 3.29Å; S526-S530 PolarHBondContact O-N 2.88Å; S526-S530 PolarHBondContact O-OG 3.22Å
527	L	67.4	Low	56.1	Low	53 Å²	53	93.3 Å²	93.3	28%	0.277	51%	0.514	S	S	.	.	H	α-helix	trans	-75	-48	175.9	-156	166	0	0	0	109.9	P524 A525 A529 S530 R531 I534	P524-L527 HydrophobicContact CB-CB 4.47Å; P524-L527 WeakPolarHBondContact O-CA 3.15Å; P524-L527 WeakPolarHBondContact O-CB 3.43Å; P524-L527 PolarHBondContact O-N 3.16Å; A525-L527 VanDerWaalsContact C-N 3.31Å; A525-L527 PolarHBondContact O-N 3Å; L527-A529 PolarHBondContact O-N 3.17Å; L527-S530 PolarHBondContact O-N 3.41Å; L527-S530 VanDerWaalsContact O-N 3.14Å; L527-S530 PolarHBondContact O-OG 3Å; L527-R531 HydrophobicContact CD2-CB 3.95Å; L527-R531 HydrophobicContact CD2-CG 3.89Å; L527-R531 HydrophobicContact CG-CG 4.45Å; L527-R531 PolarHBondContact O-N 3.44Å; L527-I534 HydrophobicContact CD1-CD1 4.07Å; L527-I534 HydrophobicContact CD2-CD1 3.43Å; L527-I534 VanDerWaalsContact CD2-CD1 3.43Å; L527-I534 HydrophobicContact CD2-CG1 3.83Å; L527-I534 HydrophobicContact CG-CD1 4.43Å
528	T	64.8	Low	57	Low	32 Å²	32	94.8 Å²	94.8	20%	0.196	51%	0.512	C	S	.	.	H	α-helix	trans	-55.9	-39.4	174.6	-57.7	0	0	0	0	111.6	P524 A525 G532	P524-T528 PolarHBondContact O-N 3.16Å; A525-T528 PolarHBondContact O-N 3.32Å; T528-G532 CarbonylContact O-C 3.52Å; T528-G532 WeakPolarHBondContact O-CA 3.5Å; T528-G532 PolarHBondContact O-N 3.44Å
529	A	59.2	Low	57.9	Low	78 Å²	78	89.9 Å²	89.9	65%	0.645	51%	0.507	S	S	*	.	H	α-helix	trans	-73	-36.3	177.5	0	0	0	0	0	113.9	A525 L527	A525-A529 VanDerWaalsContact O-CB 3.3Å; A525-A529 WeakPolarHBondContact O-CB 3.42Å; A525-A529 PolarHBondContact O-N 3.09Å; L527-A529 PolarHBondContact O-N 3.17Å
530	S	59.4	Low	58.7	Low	86 Å²	86	84.1 Å²	84.1	60%	0.601	49%	0.49	S	S	*	.	H	α-helix	trans	-91.7	-31.6	-173.5	60.5	0	0	0	0	114.8	S526 L527	S526-S530 VanDerWaalsContact O-CB 3.23Å; S526-S530 WeakPolarHBondContact O-CB 3.29Å; S526-S530 PolarHBondContact O-N 2.88Å; S526-S530 PolarHBondContact O-OG 3.22Å; L527-S530 PolarHBondContact O-N 3.41Å; L527-S530 VanDerWaalsContact O-N 3.14Å; L527-S530 PolarHBondContact O-OG 3Å
531	R	63.7	Low	59	Low	187 Å²	187	81.7 Å²	81.7	71%	0.706	49%	0.491	S	S	*	.	H	α-helix	trans	-105	-17.2	177	-57.9	-56.4	-175.5	111.5	-2.2	112.8	R488 L527	R488-R531 VanDerWaalsContact CZ-O 3.3Å; R488-R531 PolarHBondContact NH1-O 3.49Å; R488-R531 PolarHBondContact NH2-O 3.35Å; L527-R531 HydrophobicContact CD2-CB 3.95Å; L527-R531 HydrophobicContact CD2-CG 3.89Å; L527-R531 HydrophobicContact CG-CG 4.45Å; L527-R531 PolarHBondContact O-N 3.44Å
532	G	59.1	Low	59.3	Low	2 Å²	2	85.6 Å²	85.6	2%	0.021	50%	0.504	C	S	.	.			trans	81.7	-178.5	-159.7	0	0	0	0	0	111.1	T528 I534	T528-G532 CarbonylContact O-C 3.52Å; T528-G532 WeakPolarHBondContact O-CA 3.5Å; T528-G532 PolarHBondContact O-N 3.44Å; G532-I534 PolarHBondContact O-N 3.47Å
533	P	60	Low	59.4	Low	16 Å²	16	84.8 Å²	84.8	10%	0.104	51%	0.513	C	S	.	.			trans	-58.1	134.9	174.6	-24.1	36.3	0	0	0	111.6	R488 S492 A535	R488-P533 WeakPolarHBondContact O-CG 3.45Å; S492-P533 WeakPolarHBondContact OG-CG 3.47Å; P533-A535 VanDerWaalsContact C-N 3.26Å
534	I	59	Low	59.6	Low	86 Å²	86	82.5 Å²	82.5	44%	0.441	51%	0.511	S	S	.	.	S	Bend	trans	-73.7	-20	173.3	-83.3	176.2	0	0	0	112	F523 L527 G532 A536	F523-I534 HydrophobicContact CB-CD1 4.49Å; F523-I534 HydrophobicContact CD1-CD1 3.58Å; F523-I534 HydrophobicContact CD2-CB 3.84Å; F523-I534 HydrophobicContact CD2-CD1 4.09Å; F523-I534 HydrophobicContact CD2-CG1 4.44Å; F523-I534 HydrophobicContact CD2-CG2 4.15Å; F523-I534 HydrophobicContact CE1-CD1 3.7Å; F523-I534 HydrophobicContact CE1-CG2 4.35Å; F523-I534 HydrophobicContact CE2-CB 3.72Å; F523-I534 HydrophobicContact CE2-CD1 4.2Å; F523-I534 HydrophobicContact CE2-CG2 3.49Å; F523-I534 VanDerWaalsContact CE2-CG2 3.49Å; F523-I534 HydrophobicContact CG-CB 4.4Å; F523-I534 HydrophobicContact CG-CD1 3.79Å; F523-I534 HydrophobicContact CZ-CB 4.19Å; F523-I534 HydrophobicContact CZ-CD1 4.01Å; F523-I534 HydrophobicContact CZ-CG2 3.61Å; L527-I534 HydrophobicContact CD1-CD1 4.07Å; L527-I534 HydrophobicContact CD2-CD1 3.43Å; L527-I534 VanDerWaalsContact CD2-CD1 3.43Å; L527-I534 HydrophobicContact CD2-CG1 3.83Å; L527-I534 HydrophobicContact CG-CD1 4.43Å; G532-I534 PolarHBondContact O-N 3.47Å; I534-A536 PolarHBondContact O-N 3.3Å
535	A	57.1	Low	60.1	Low	55 Å²	55	82.8 Å²	82.8	46%	0.455	51%	0.508	S	S	.	.			trans	-54.8	107.5	172.6	0	0	0	0	0	109.6	P533	P533-A535 VanDerWaalsContact C-N 3.26Å
536	A	52.3	Low	61.1	Low	79 Å²	79	86.4 Å²	86.4	65%	0.653	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-55.8	138.8	166.3	0	0	0	0	0	107.7	I534 Q538	I534-A536 PolarHBondContact O-N 3.3Å; A536-Q538 PolarHBondContact O-N 3.29Å; A536-Q538 VanDerWaalsContact O-N 3.16Å
537	P	53.2	Low	62.2	Low	69 Å²	69	85.3 Å²	85.3	45%	0.448	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-50.9	127.3	167.8	-23.5	33.9	0	0	0	108	L491 V539	L491-P537 HydrophobicContact CD1-CB 3.95Å; L491-P537 HydrophobicContact CD1-CG 4.39Å; P537-V539 PolarHBondContact O-N 3.02Å
538	Q	55.3	Low	63.2	Low	161 Å²	161	86.1 Å²	86.1	75%	0.752	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-59.5	120.5	176.4	-62.6	-129.9	-1.4	0	0	106.9	A536 P540	A536-Q538 PolarHBondContact O-N 3.29Å; A536-Q538 VanDerWaalsContact O-N 3.16Å; Q538-P540 WeakPolarHBondContact O-CD 3.37Å
539	V	54.6	Low	64.5	Low	125 Å²	125	85.2 Å²	85.2	76%	0.758	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-62.8	125.1	174.7	-178.4	0	0	0	0	105.6	P537 L541	P537-V539 PolarHBondContact O-N 3.02Å; V539-L541 PolarHBondContact O-N 3.17Å; V539-L541 VanDerWaalsContact O-N 3.07Å
540	P	54.6	Low	66.1	Low	76 Å²	76	82.9 Å²	82.9	49%	0.494	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-57.8	120.3	179.7	-23.3	34.5	0	0	0	108.7	Q538 A544 N551	Q538-P540 WeakPolarHBondContact O-CD 3.37Å; P540-A544 HydrophobicContact CB-CB 3.95Å; P540-N551 WeakPolarHBondContact CG-OD1 3.42Å
541	L	56.9	Low	67.7	Low	146 Å²	146	81.4 Å²	81.4	76%	0.764	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-64.4	150.8	170	-62.6	173.4	0	0	0	108.3	V539 G543 A544	V539-L541 PolarHBondContact O-N 3.17Å; V539-L541 VanDerWaalsContact O-N 3.07Å; L541-G543 PolarHBondContact O-N 3.3Å; L541-A544 WeakPolarHBondContact O-CB 3.43Å; L541-A544 PolarHBondContact O-N 2.89Å
542	D	53.6	Low	69.2	Low	178 Å²	178	72.8 Å²	72.8	95%	0.952	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	125.7	173.3	-73.8	-53.4	0	0	0	109.9
543	G	60.1	Low	71	Confident	84 Å²	84	73.3 Å²	73.3	87%	0.866	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	2	-171	0	0	0	0	0	115.9	L541 D545	L541-G543 PolarHBondContact O-N 3.3Å; G543-D545 PolarHBondContact O-N 2.84Å
544	A	65.6	Low	72.8	Confident	40 Å²	40	75.2 Å²	75.2	33%	0.331	47%	0.465	S	S	.	.			trans	-62.2	134.2	172.6	0	0	0	0	0	112.1	P540 L541 T546	P540-A544 HydrophobicContact CB-CB 3.95Å; L541-A544 WeakPolarHBondContact O-CB 3.43Å; L541-A544 PolarHBondContact O-N 2.89Å; A544-T546 PolarHBondContact O-N 3.39Å
545	D	78.7	Confident	74.7	Confident	86 Å²	86	71.3 Å²	71.3	46%	0.46	45%	0.445	S	S	.	.			trans	-58.9	121.5	-178.8	-174.5	-17.6	0	0	0	111.4	G543 S547 V548 N551	G543-D545 PolarHBondContact O-N 2.84Å; D545-S547 VanDerWaalsContact C-N 3.26Å; D545-S547 VanDerWaalsContact CG-OG 3.27Å; D545-S547 PolarHBondContact O-N 3.43Å; D545-S547 WeakPolarHBondContact OD1-CA 3.4Å; D545-S547 WeakPolarHBondContact OD1-CB 3.45Å; D545-S547 PolarHBondContact OD1-N 3.34Å; D545-S547 PolarHBondContact OD1-OG 2.78Å; D545-S547 PolarHBondContact OD2-OG 3.17Å; D545-V548 HydrophobicContact CB-CB 4.32Å; D545-V548 HydrophobicContact CB-CG2 3.8Å; D545-V548 PolarHBondContact O-N 3.1Å; D545-N551 PolarHBondContact O-ND2 2.98Å
546	T	84.1	Confident	76.7	Confident	106 Å²	106	71.6 Å²	71.6	65%	0.65	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-16.2	-179.3	55.8	0	0	0	0	114	A544 N551 N552	A544-T546 PolarHBondContact O-N 3.39Å; T546-N551 CarbonylContact O-C 3.59Å; T546-N552 WeakPolarHBondContact O-CA 3.25Å; T546-N552 WeakPolarHBondContact O-CB 3.36Å; T546-N552 PolarHBondContact O-N 3.35Å; T546-N552 VanDerWaalsContact O-N 3.15Å
547	S	86.6	Confident	78.9	Confident	47 Å²	47	70.8 Å²	70.8	33%	0.329	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-14.7	177.6	74.7	0	0	0	0	113.8	D545 N552	D545-S547 VanDerWaalsContact C-N 3.26Å; D545-S547 VanDerWaalsContact CG-OG 3.27Å; D545-S547 PolarHBondContact O-N 3.43Å; D545-S547 WeakPolarHBondContact OD1-CA 3.4Å; D545-S547 WeakPolarHBondContact OD1-CB 3.45Å; D545-S547 PolarHBondContact OD1-N 3.34Å; D545-S547 PolarHBondContact OD1-OG 2.78Å; D545-S547 PolarHBondContact OD2-OG 3.17Å; S547-N552 WeakPolarHBondContact O-CB 3.35Å; S547-N552 PolarHBondContact O-ND2 3.42Å
548	V	90.1	Very high	81	Confident	70 Å²	70	68.7 Å²	68.7	42%	0.424	42%	0.419	S	S	.	.	S	Bend	trans	-80.2	144.6	176.4	174.3	0	0	0	0	110.5	D545 N551 N552	D545-V548 HydrophobicContact CB-CB 4.32Å; D545-V548 HydrophobicContact CB-CG2 3.8Å; D545-V548 PolarHBondContact O-N 3.1Å; V548-N551 WeakPolarHBondContact O-CA 3.47Å; V548-N551 VanDerWaalsContact O-CB 3.3Å; V548-N551 WeakPolarHBondContact O-CB 3.49Å; V548-N551 PolarHBondContact O-N 2.92Å; V548-N552 PolarHBondContact O-N 3.03Å
549	F	92.1	Very high	83.1	Confident	13 Å²	13	64.1 Å²	64.1	6%	0.057	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	135.2	174.7	-174.7	-95.7	0	0	0	109.9	L459 A462 C463 I487 L491 E494 V553	L459-F549 HydrophobicContact CD2-CE2 3.9Å; L459-F549 HydrophobicContact CD2-CZ 4.06Å; A462-F549 HydrophobicContact CB-CD2 3.82Å; A462-F549 HydrophobicContact CB-CE2 4.01Å; C463-F549 HydrophobicContact CB-CB 4.28Å; C463-F549 HydrophobicContact CB-CD1 3.82Å; C463-F549 HydrophobicContact CB-CD2 3.83Å; C463-F549 HydrophobicContact CB-CE1 4.06Å; C463-F549 HydrophobicContact CB-CE2 4.06Å; C463-F549 HydrophobicContact CB-CG 3.71Å; C463-F549 HydrophobicContact CB-CZ 4.18Å; I487-F549 HydrophobicContact CG2-CZ 4.15Å; L491-F549 HydrophobicContact CD2-CD1 3.64Å; L491-F549 HydrophobicContact CD2-CE1 3.58Å; L491-F549 HydrophobicContact CG-CD1 4.44Å; L491-F549 HydrophobicContact CG-CE1 3.88Å; E494-F549 WeakPolarHBondContact OE2-CD1 3.42Å; F549-V553 HydrophobicContact CD2-CG1 3.98Å; F549-V553 HydrophobicContact CE2-CG1 3.66Å
550	P	92.8	Very high	85.2	Confident	29 Å²	29	58.8 Å²	58.8	19%	0.188	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	cis	-94.9	1.6	11.1	39.1	-34.1	0	0	0	114.1	I487 L491 N552 V553	I487-P550 HydrophobicContact CG2-CB 3.57Å; I487-P550 HydrophobicContact CG2-CG 4.49Å; L491-P550 HydrophobicContact CD1-CG 4.28Å; L491-P550 HydrophobicContact CD2-CB 4.14Å; L491-P550 HydrophobicContact CD2-CG 4Å; P550-N552 PolarHBondContact O-N 3.27Å; P550-V553 VanDerWaalsContact O-CG1 3.29Å; P550-V553 WeakPolarHBondContact O-CG1 3.36Å; P550-V553 PolarHBondContact O-N 3.25Å; P550-V553 VanDerWaalsContact O-N 3.16Å
551	N	92	Very high	87.3	Confident	55 Å²	55	55.6 Å²	55.6	29%	0.294	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-33.2	-173.2	-51.1	-21.9	0	0	0	111.5	P540 D545 T546 V548 V553	P540-N551 WeakPolarHBondContact CG-OD1 3.42Å; D545-N551 PolarHBondContact O-ND2 2.98Å; T546-N551 CarbonylContact O-C 3.59Å; V548-N551 WeakPolarHBondContact O-CA 3.47Å; V548-N551 VanDerWaalsContact O-CB 3.3Å; V548-N551 WeakPolarHBondContact O-CB 3.49Å; V548-N551 PolarHBondContact O-N 2.92Å; N551-V553 VanDerWaalsContact C-N 3.26Å; N551-V553 PolarHBondContact O-N 3.24Å
552	N	95.4	Very high	89.2	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.027	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.2	179	71.6	2.1	0	0	0	115	A462 P467 R469 M470 T546 S547 V548 P550	A462-N552 PolarHBondContact O-ND2 2.69Å; A462-N552 VanDerWaalsContact O-ND2 3.14Å; P467-N552 PolarHBondContact O-ND2 2.79Å; P467-N552 VanDerWaalsContact O-ND2 3.17Å; R469-N552 CarbonylContact C-O 3.51Å; R469-N552 WeakPolarHBondContact CA-O 3.46Å; M470-N552 PolarHBondContact N-O 3.27Å; T546-N552 WeakPolarHBondContact O-CA 3.25Å; T546-N552 WeakPolarHBondContact O-CB 3.36Å; T546-N552 PolarHBondContact O-N 3.35Å; T546-N552 VanDerWaalsContact O-N 3.15Å; S547-N552 WeakPolarHBondContact O-CB 3.35Å; S547-N552 PolarHBondContact O-ND2 3.42Å; V548-N552 PolarHBondContact O-N 3.03Å; P550-N552 PolarHBondContact O-N 3.27Å
553	V	97.1	Very high	91.2	Very high	14 Å²	14	47.5 Å²	47.5	9%	0.085	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.1	-174.5	63.2	0	0	0	0	114.2	L459 A462 M470 F549 P550 N551 F555	L459-V553 HydrophobicContact CD2-CG1 4.18Å; L459-V553 HydrophobicContact CD2-CG2 4.32Å; A462-V553 HydrophobicContact CB-CB 4.01Å; A462-V553 HydrophobicContact CB-CG1 4.48Å; A462-V553 HydrophobicContact CB-CG2 4.37Å; M470-V553 HydrophobicContact CB-CB 4.23Å; M470-V553 HydrophobicContact CB-CG2 4.18Å; M470-V553 HydrophobicContact CG-CB 4.48Å; M470-V553 HydrophobicContact CG-CG2 3.92Å; M470-V553 WeakPolarHBondContact O-CA 3.36Å; F549-V553 HydrophobicContact CD2-CG1 3.98Å; F549-V553 HydrophobicContact CE2-CG1 3.66Å; P550-V553 VanDerWaalsContact O-CG1 3.29Å; P550-V553 WeakPolarHBondContact O-CG1 3.36Å; P550-V553 PolarHBondContact O-N 3.25Å; P550-V553 VanDerWaalsContact O-N 3.16Å; N551-V553 VanDerWaalsContact C-N 3.26Å; N551-V553 PolarHBondContact O-N 3.24Å; V553-F555 HydrophobicContact CG2-CD2 4.37Å; V553-F555 HydrophobicContact CG2-CE2 3.67Å; V553-F555 HydrophobicContact CG2-CZ 3.83Å
554	V	97.9	Very high	93	Very high	56 Å²	56	50 Å²	50	34%	0.339	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.4	175.6	63.7	0	0	0	0	111.4	M470 V471 G472	M470-V554 PolarHBondContact O-N 3.41Å; V471-V554 CarbonylContact C-O 3.42Å; V471-V554 WeakPolarHBondContact CA-O 3.47Å; V471-V554 HydrophobicContact CB-CG1 4.37Å; V471-V554 HydrophobicContact CG1-CG1 4.38Å; V471-V554 HydrophobicContact CG2-CG1 3.8Å; G472-V554 PolarHBondContact N-O 2.88Å
555	F	98.5	Very high	94.6	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.013	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.6	178.8	-69	-78.6	0	0	0	111.7	T458 L459 G472 I480 A483 R484 I487 V553	T458-F555 HydrophobicContact CG2-CE1 3.89Å; T458-F555 HydrophobicContact CG2-CZ 4.23Å; L459-F555 HydrophobicContact CD2-CE2 3.87Å; L459-F555 HydrophobicContact CD2-CZ 3.88Å; L459-F555 HydrophobicContact CG-CE2 4.38Å; L459-F555 HydrophobicContact CG-CZ 3.97Å; G472-F555 CarbonylContact O-C 3.55Å; G472-F555 WeakPolarHBondContact O-CA 3.26Å; I480-F555 HydrophobicContact CD1-CB 4.13Å; I480-F555 HydrophobicContact CD1-CD1 4.36Å; I480-F555 HydrophobicContact CG2-CB 4.03Å; A483-F555 HydrophobicContact CB-CD1 3.65Å; A483-F555 HydrophobicContact CB-CD2 4.1Å; A483-F555 HydrophobicContact CB-CE1 3.72Å; A483-F555 HydrophobicContact CB-CE2 4.16Å; A483-F555 HydrophobicContact CB-CG 3.86Å; A483-F555 HydrophobicContact CB-CZ 3.98Å; R484-F555 HydrophobicContact CG-CB 3.98Å; R484-F555 HydrophobicContact CG-CD2 4.15Å; R484-F555 HydrophobicContact CG-CG 4.45Å; R484-F555 PolarHBondContact NE-O 3.3Å; R484-F555 PolarHBondContact NH2-O 2.95Å; I487-F555 HydrophobicContact CD1-CD2 4.39Å; I487-F555 HydrophobicContact CD1-CE2 4.28Å; I487-F555 HydrophobicContact CG1-CE2 4.18Å; V553-F555 HydrophobicContact CG2-CD2 4.37Å; V553-F555 HydrophobicContact CG2-CE2 3.67Å; V553-F555 HydrophobicContact CG2-CZ 3.83Å
556	V	98.3	Very high	95.5	Very high	62 Å²	62	51.8 Å²	51.8	38%	0.376	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.5	-174.6	-177.7	0	0	0	0	109.9	V471 G472 L473 D474 I480	V471-V556 HydrophobicContact CG1-CG2 4.18Å; G472-V556 PolarHBondContact O-N 3.19Å; L473-V556 HydrophobicContact CD1-CB 3.99Å; L473-V556 HydrophobicContact CD1-CG1 3.94Å; D474-V556 PolarHBondContact N-O 3.09Å; I480-V556 WeakPolarHBondContact CD1-O 3.4Å; I480-V556 WeakPolarHBondContact CG1-O 3.3Å
557	T	98.8	Very high	96.2	Very high	61 Å²	61	50.4 Å²	50.4	37%	0.374	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.6	169.7	-53.1	0	0	0	0	110.1	D474	D474-T557 CarbonylContact O-C 3.01Å; D474-T557 VanDerWaalsContact O-CA 3.32Å; D474-T557 WeakPolarHBondContact O-CA 3.33Å
558	G	98.1	Very high	96.7	Very high	26 Å²	26	48.3 Å²	48.3	27%	0.268	26%	0.263	S	S	.	.			trans	-177.5	157	174.4	0	0	0	0	0	113.4	D474 I475	D474-G558 CarbonylContact C-O 3.49Å; D474-G558 PolarHBondContact O-N 2.8Å; I475-G558 WeakPolarHBondContact CA-O 3.2Å
559	N	98.6	Very high	97.1	Very high	64 Å²	64	48.4 Å²	48.4	34%	0.342	26%	0.259	S	S	.	.			trans	-84.3	123.3	164	-178.4	21.8	0	0	0	108.6	I475 V561 W591	I475-N559 HydrophobicContact CD1-CB 3.87Å; I475-N559 HydrophobicContact CG1-CB 4.24Å; N559-V561 VanDerWaalsContact C-N 3.34Å; N559-V561 PolarHBondContact ND2-O 2.72Å; N559-V561 PolarHBondContact OD1-N 3.22Å; N559-V561 VanDerWaalsContact OD1-N 3.13Å; N559-W591 WeakPolarHBondContact ND2-CZ2 3.4Å
560	Y	98.8	Very high	97.4	Very high	13 Å²	13	51.2 Å²	51.2	5%	0.051	29%	0.285	C	S	.	.			trans	-75.4	-26	176.8	-168.4	-97.8	0	0	0	112.8	L448 L450 L473 L562 M599 R602 I603 H606	L448-Y560 HydrophobicContact CD2-CE2 3.94Å; L450-Y560 HydrophobicContact CD1-CD1 4.03Å; L450-Y560 HydrophobicContact CD1-CD2 4.48Å; L450-Y560 HydrophobicContact CD1-CE1 3.89Å; L450-Y560 HydrophobicContact CD1-CE2 4.35Å; L450-Y560 HydrophobicContact CD1-CG 4.3Å; L450-Y560 HydrophobicContact CD2-CD1 4.34Å; L450-Y560 HydrophobicContact CD2-CD2 3.46Å; L450-Y560 VanDerWaalsContact CD2-CD2 3.46Å; L450-Y560 HydrophobicContact CD2-CE2 3.71Å; L450-Y560 HydrophobicContact CD2-CG 3.78Å; L473-Y560 HydrophobicContact CD2-CD2 3.59Å; L473-Y560 HydrophobicContact CD2-CG 4.19Å; Y560-L562 PolarHBondContact O-N 3.4Å; Y560-M599 HydrophobicContact CD1-CG 3.92Å; Y560-M599 HydrophobicContact CE1-CG 4.2Å; Y560-R602 HydrophobicContact CE1-CB 3.93Å; Y560-R602 HydrophobicContact CE1-CG 3.96Å; Y560-R602 PolarHBondContact O-NH1 3.11Å; Y560-I603 HydrophobicContact CE1-CG1 3.8Å; Y560-I603 WeakPolarHBondContact OH-CA 3.24Å; Y560-I603 PolarHBondContact OH-N 3.12Å; Y560-H606 AromaticContact CE2-CE1 3.83Å; Y560-H606 AromaticContact CE2-ND1 3.53Å; Y560-H606 AromaticContact CZ-ND1 3.67Å; Y560-H606 PolarHBondContact OH-ND1 3.26Å
561	V	98.6	Very high	97.6	Very high	9 Å²	9	50.6 Å²	50.6	6%	0.055	28%	0.28	C	S	.	.	S	Bend	trans	-74.9	110.3	178.7	-175.2	0	0	0	0	109.4	N559 V587 W591	N559-V561 VanDerWaalsContact C-N 3.34Å; N559-V561 PolarHBondContact ND2-O 2.72Å; N559-V561 PolarHBondContact OD1-N 3.22Å; N559-V561 VanDerWaalsContact OD1-N 3.13Å; V561-V587 HydrophobicContact CG2-CB 4.27Å; V561-V587 HydrophobicContact CG2-CG1 3.63Å; V561-V587 HydrophobicContact CG2-CG2 3.72Å; V561-W591 HydrophobicContact CB-CD2 4.27Å; V561-W591 HydrophobicContact CB-CE3 4.39Å; V561-W591 HydrophobicContact CG1-CB 4.2Å; V561-W591 HydrophobicContact CG1-CD2 4.23Å; V561-W591 HydrophobicContact CG1-CG 4.02Å; V561-W591 HydrophobicContact CG2-CD2 4.27Å; V561-W591 HydrophobicContact CG2-CE3 3.9Å; V561-W591 HydrophobicContact CG2-CZ3 4.18Å
562	L	97.9	Very high	97.9	Very high	35 Å²	35	52 Å²	52	18%	0.183	29%	0.29	C	S	.	.			trans	-77.5	150.5	175.6	-58.8	176.5	0	0	0	110.9	Y560 L567 V568 R598	Y560-L562 PolarHBondContact O-N 3.4Å; L562-L567 HydrophobicContact CB-CB 4.39Å; L562-L567 HydrophobicContact CD1-CB 3.92Å; L562-L567 VanDerWaalsContact CD1-O 3.23Å; L562-L567 WeakPolarHBondContact CD1-O 3.04Å; L562-V568 HydrophobicContact CB-CG2 4.03Å; L562-V568 HydrophobicContact CD1-CG2 4.03Å; L562-V568 HydrophobicContact CG-CG2 4.48Å; L562-R598 WeakPolarHBondContact O-CD 3.38Å; L562-R598 PolarHBondContact O-NH1 2.94Å
563	D	96.1	Very high	98.1	Very high	120 Å²	120	54.9 Å²	54.9	64%	0.642	31%	0.309	S	S	*	.	S	Bend	trans	-85.8	-11.9	-175.6	66.7	-43.2	0	0	0	113.6	R598	D563-R598 PolarHBondContact O-NH1 3.4Å; D563-R598 PolarHBondContact O-NH2 2.85Å
564	R	97.7	Very high	98.1	Very high	135 Å²	135	58 Å²	58	51%	0.509	32%	0.323	S	S	.	.	S	Bend	trans	-135.2	151.7	178.6	-65.5	176.4	57	159.8	-0.2	112	D566 L567	R564-D566 IonicContact CZ-OD1 3.24Å; R564-D566 VanDerWaalsContact CZ-OD1 3.24Å; R564-D566 IonicContact CZ-OD2 3.31Å; R564-D566 VanDerWaalsContact CZ-OD2 3.31Å; R564-D566 VanDerWaalsContact NE-CG 3.35Å; R564-D566 IonicContact NE-OD1 3.35Å; R564-D566 PolarHBondContact NE-OD1 2.96Å; R564-D566 IonicContact NE-OD2 3.49Å; R564-D566 PolarHBondContact NE-OD2 3.3Å; R564-D566 IonicContact NH2-OD1 2.77Å; R564-D566 PolarHBondContact NH2-OD1 3.43Å; R564-D566 IonicContact NH2-OD2 3.17Å; R564-D566 PolarHBondContact NH2-OD2 2.85Å; R564-D566 VanDerWaalsContact NH2-OD2 3.17Å; R564-L567 HydrophobicContact CB-CD1 4.18Å; R564-L567 HydrophobicContact CB-CG 4.09Å
565	D	98.1	Very high	98.2	Very high	88 Å²	88	56 Å²	56	47%	0.471	31%	0.309	S	S	.	.	H	α-helix	trans	-79.7	-32.9	-178.7	-55.3	-69.7	0	0	0	112.4	L567 V568 E569 R598	D565-L567 VanDerWaalsContact C-N 3.29Å; D565-L567 PolarHBondContact O-N 3.23Å; D565-V568 WeakPolarHBondContact O-CA 3.3Å; D565-V568 WeakPolarHBondContact O-CB 3.46Å; D565-V568 PolarHBondContact O-N 3.37Å; D565-E569 PolarHBondContact O-N 3.34Å; D565-R598 WeakPolarHBondContact OD1-CG 3.23Å; D565-R598 IonicContact OD1-CZ 3.83Å; D565-R598 IonicContact OD1-NE 3.72Å; D565-R598 PolarHBondContact OD1-NE 3.14Å; D565-R598 IonicContact OD1-NH2 2.72Å; D565-R598 IonicContact OD2-CZ 3.57Å; D565-R598 IonicContact OD2-NE 3.72Å; D565-R598 IonicContact OD2-NH2 3.48Å; D565-R598 PolarHBondContact OD2-NH2 2.87Å
566	D	97.8	Very high	98.2	Very high	76 Å²	76	57 Å²	57	41%	0.406	32%	0.315	S	S	.	.	H	α-helix	trans	-59.3	-37.7	171.5	49.5	-93.8	0	0	0	112.8	R564 V568 E569 A570	R564-D566 IonicContact CZ-OD1 3.24Å; R564-D566 VanDerWaalsContact CZ-OD1 3.24Å; R564-D566 IonicContact CZ-OD2 3.31Å; R564-D566 VanDerWaalsContact CZ-OD2 3.31Å; R564-D566 VanDerWaalsContact NE-CG 3.35Å; R564-D566 IonicContact NE-OD1 3.35Å; R564-D566 PolarHBondContact NE-OD1 2.96Å; R564-D566 IonicContact NE-OD2 3.49Å; R564-D566 PolarHBondContact NE-OD2 3.3Å; R564-D566 IonicContact NH2-OD1 2.77Å; R564-D566 PolarHBondContact NH2-OD1 3.43Å; R564-D566 IonicContact NH2-OD2 3.17Å; R564-D566 PolarHBondContact NH2-OD2 2.85Å; R564-D566 VanDerWaalsContact NH2-OD2 3.17Å; D566-V568 VanDerWaalsContact C-N 3.28Å; D566-V568 PolarHBondContact O-N 3.26Å; D566-E569 PolarHBondContact O-N 3.14Å; D566-A570 WeakPolarHBondContact O-CB 3.36Å; D566-A570 PolarHBondContact O-N 3.27Å
567	L	98.2	Very high	98.2	Very high	77 Å²	77	54.1 Å²	54.1	40%	0.403	30%	0.297	S	S	.	.	H	α-helix	trans	-69.2	-24.8	173.4	-59.7	-179.6	0	0	0	112.9	L562 R564 D565	L562-L567 HydrophobicContact CB-CB 4.39Å; L562-L567 HydrophobicContact CD1-CB 3.92Å; L562-L567 VanDerWaalsContact CD1-O 3.23Å; L562-L567 WeakPolarHBondContact CD1-O 3.04Å; R564-L567 HydrophobicContact CB-CD1 4.18Å; R564-L567 HydrophobicContact CB-CG 4.09Å; D565-L567 VanDerWaalsContact C-N 3.29Å; D565-L567 PolarHBondContact O-N 3.23Å
568	V	98.4	Very high	98.2	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.018	28%	0.28	C	S	.	.	H	α-helix	trans	-73.8	-45.5	171.9	173.4	0	0	0	0	110.1	L562 D565 D566 A570 Q571 R598 R601 R602 R605	L562-V568 HydrophobicContact CB-CG2 4.03Å; L562-V568 HydrophobicContact CD1-CG2 4.03Å; L562-V568 HydrophobicContact CG-CG2 4.48Å; D565-V568 WeakPolarHBondContact O-CA 3.3Å; D565-V568 WeakPolarHBondContact O-CB 3.46Å; D565-V568 PolarHBondContact O-N 3.37Å; D566-V568 VanDerWaalsContact C-N 3.28Å; D566-V568 PolarHBondContact O-N 3.26Å; V568-A570 VanDerWaalsContact C-N 3.26Å; V568-A570 PolarHBondContact O-N 2.7Å; V568-Q571 VanDerWaalsContact O-CB 3.22Å; V568-Q571 WeakPolarHBondContact O-CB 3.28Å; V568-Q571 PolarHBondContact O-N 2.95Å; V568-R598 HydrophobicContact CG2-CB 4Å; V568-R598 HydrophobicContact CG2-CG 4.13Å; V568-R601 HydrophobicContact CG1-CB 4Å; V568-R601 HydrophobicContact CG1-CG 3.66Å; V568-R602 HydrophobicContact CG1-CB 3.97Å; V568-R605 WeakPolarHBondContact O-CD 3.47Å; V568-R605 PolarHBondContact O-NE 3.25Å
569	E	97.4	Very high	98.3	Very high	72 Å²	72	50 Å²	50	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-71.5	-18.3	177.5	-63.9	-51.2	113.2	0	0	113.7	D565 D566 Q571 R601 R605	D565-E569 PolarHBondContact O-N 3.34Å; D566-E569 PolarHBondContact O-N 3.14Å; E569-Q571 VanDerWaalsContact C-N 3.26Å; E569-Q571 PolarHBondContact O-N 2.96Å; E569-R601 VanDerWaalsContact OE1-CG 3.24Å; E569-R601 WeakPolarHBondContact OE1-CG 3.37Å; E569-R601 IonicContact OE1-CZ 3.65Å; E569-R601 IonicContact OE1-NE 3.55Å; E569-R601 PolarHBondContact OE1-NE 2.88Å; E569-R601 IonicContact OE1-NH2 3.85Å; E569-R601 IonicContact OE2-CZ 2.8Å; E569-R601 IonicContact OE2-NE 2.69Å; E569-R601 PolarHBondContact OE2-NE 2.75Å; E569-R601 IonicContact OE2-NH2 3.54Å; E569-R601 PolarHBondContact OE2-NH2 2.92Å; E569-R605 PolarHBondContact O-NE 2.82Å; E569-R605 PolarHBondContact O-NH1 3.04Å; E569-R605 PolarHBondContact O-NH2 3.44Å; E569-R605 WeakPolarHBondContact OE1-CD 3.21Å; E569-R605 WeakPolarHBondContact OE2-CD 3.05Å; E569-R605 IonicContact OE2-CZ 2.85Å; E569-R605 IonicContact OE2-NE 2.76Å; E569-R605 IonicContact OE2-NH1 3.03Å; E569-R605 PolarHBondContact OE2-NH1 3.24Å
570	A	97.9	Very high	98.3	Very high	73 Å²	73	47 Å²	47	60%	0.603	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-15.3	167.6	0	0	0	0	0	113.8	D566 V568 T572	D566-A570 WeakPolarHBondContact O-CB 3.36Å; D566-A570 PolarHBondContact O-N 3.27Å; V568-A570 VanDerWaalsContact C-N 3.26Å; V568-A570 PolarHBondContact O-N 2.7Å; A570-T572 PolarHBondContact O-N 2.81Å
571	Q	98.5	Very high	98.3	Very high	16 Å²	16	46.8 Å²	46.8	8%	0.075	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-65.4	128.6	-180	-176.8	65.9	73.4	0	0	111.2	V568 E569 E574 R602 R605 H606	V568-Q571 VanDerWaalsContact O-CB 3.22Å; V568-Q571 WeakPolarHBondContact O-CB 3.28Å; V568-Q571 PolarHBondContact O-N 2.95Å; E569-Q571 VanDerWaalsContact C-N 3.26Å; E569-Q571 PolarHBondContact O-N 2.96Å; Q571-E574 PolarHBondContact NE2-OE1 3.04Å; Q571-R602 HydrophobicContact CB-CG 4.22Å; Q571-R602 HydrophobicContact CG-CG 4.01Å; Q571-R602 VanDerWaalsContact OE1-CZ 3.29Å; Q571-R605 HydrophobicContact CB-CB 4.12Å; Q571-R605 HydrophobicContact CG-CB 4.23Å; Q571-R605 PolarHBondContact O-NE 3.28Å; Q571-R605 PolarHBondContact O-NH2 3.06Å; Q571-H606 VanDerWaalsContact CD-CD2 3.46Å; Q571-H606 HydrophobicContact CG-CB 4.32Å; Q571-H606 PolarHBondContact NE2-CD2 3.07Å; Q571-H606 PolarHBondContact NE2-NE2 3.47Å
572	T	98.2	Very high	98.3	Very high	84 Å²	84	46.7 Å²	46.7	52%	0.515	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-92.6	158.9	172.1	45.6	0	0	0	0	112.2	A570 R605	A570-T572 PolarHBondContact O-N 2.81Å; T572-R605 CarbonylContact C-O 3.58Å
573	P	98.6	Very high	98.3	Very high	66 Å²	66	46.3 Å²	46.3	43%	0.429	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-70.1	128.7	171.8	-18	32.6	0	0	0	112.3	R605 H606 R608	P573-R605 WeakPolarHBondContact CA-O 3.26Å; P573-H606 CarbonylContact C-O 3.6Å; P573-H606 WeakPolarHBondContact CA-O 3.34Å; P573-R608 HydrophobicContact CB-CG 4.01Å
574	E	98.5	Very high	98.4	Very high	80 Å²	80	40.6 Å²	40.6	37%	0.374	22%	0.218	S	C	.	.			trans	-130.9	-22.9	-179.3	-71	175.4	-128.3	0	0	113.1	Q571 H606 R608	Q571-E574 PolarHBondContact NE2-OE1 3.04Å; E574-H606 PolarHBondContact N-O 3.22Å; E574-H606 IonicContact OE1-CD2 2.71Å; E574-H606 IonicContact OE1-NE2 3.5Å; E574-H606 PolarHBondContact OE1-NE2 2.77Å; E574-H606 IonicContact OE2-NE2 3.45Å; E574-R608 VanDerWaalsContact O-CZ 3.29Å; E574-R608 PolarHBondContact O-NH2 3.17Å
575	Y	98.8	Very high	98.5	Very high	13 Å²	13	34.8 Å²	34.8	5%	0.051	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	151.9	-169.4	-60.5	-84.9	0	0	0	112.8	D446 L448 V471 H606 L607 R608	D446-Y575 HydrophobicContact CB-CD1 4.25Å; L448-Y575 HydrophobicContact CB-CD1 3.7Å; L448-Y575 HydrophobicContact CB-CD2 4.03Å; L448-Y575 HydrophobicContact CB-CE1 3.91Å; L448-Y575 HydrophobicContact CB-CE2 4.26Å; L448-Y575 HydrophobicContact CB-CG 3.79Å; L448-Y575 HydrophobicContact CD2-CD2 3.99Å; L448-Y575 HydrophobicContact CD2-CE2 4.01Å; V471-Y575 HydrophobicContact CB-CE1 4.13Å; V471-Y575 HydrophobicContact CG2-CE1 3.72Å; Y575-H606 AromaticContact CD2-CD2 3.67Å; Y575-H606 AromaticContact CD2-CG 3.98Å; Y575-H606 AromaticContact CD2-NE2 3.82Å; Y575-H606 AromaticContact CE2-CD2 3.78Å; Y575-H606 AromaticContact CE2-CE1 3.82Å; Y575-H606 AromaticContact CE2-NE2 3.43Å; Y575-H606 WeakPolarHBondContact CE2-NE2 3.32Å; Y575-H606 PolarHBondContact N-O 2.81Å; Y575-H606 VanDerWaalsContact N-O 3.08Å; Y575-L607 CarbonylContact O-C 3.48Å; Y575-L607 WeakPolarHBondContact O-CA 3.25Å; Y575-R608 PolarHBondContact O-N 3.15Å
576	D	98.8	Very high	98.5	Very high	24 Å²	24	31.5 Å²	31.5	13%	0.128	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-29.8	170.4	-48.7	-49.2	0	0	0	111.3	R445 D446 L607 R608 G611 I612	R445-D576 WeakPolarHBondContact CA-OD2 3.48Å; R445-D576 HydrophobicContact CB-CB 4.11Å; R445-D576 WeakPolarHBondContact CD-OD2 3.41Å; R445-D576 HydrophobicContact CG-CB 4.41Å; D446-D576 PolarHBondContact N-OD2 2.89Å; D446-D576 PolarHBondContact O-N 3.48Å; D576-L607 WeakPolarHBondContact O-CD2 3.4Å; D576-R608 VanDerWaalsContact CG-NH1 3.31Å; D576-R608 WeakPolarHBondContact OD1-CD 3.02Å; D576-R608 IonicContact OD1-CZ 3.51Å; D576-R608 IonicContact OD1-NE 2.71Å; D576-R608 IonicContact OD1-NH1 3.51Å; D576-R608 PolarHBondContact OD1-NH1 3.4Å; D576-R608 IonicContact OD2-NH1 3.5Å; D576-R608 PolarHBondContact OD2-NH1 2.92Å; D576-G611 CarbonylContact O-C 3.56Å; D576-G611 WeakPolarHBondContact O-CA 3.24Å; D576-I612 PolarHBondContact O-N 3.39Å
577	V	98.9	Very high	98.6	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133	-178.3	-171.5	0	0	0	0	110.9	W441 F442 R445 D446 V447 L448 L579 I612 V614	W441-V577 WeakPolarHBondContact O-CG2 3.27Å; F442-V577 HydrophobicContact CE1-CG1 4.02Å; R445-V577 HydrophobicContact CB-CG2 4.29Å; D446-V577 PolarHBondContact O-N 2.86Å; D446-V577 VanDerWaalsContact O-N 3.12Å; V447-V577 WeakPolarHBondContact CA-O 3.35Å; V447-V577 HydrophobicContact CB-CB 4.45Å; V447-V577 HydrophobicContact CG1-CB 4.12Å; V447-V577 HydrophobicContact CG1-CG1 4.25Å; V447-V577 HydrophobicContact CG2-CB 4.19Å; V447-V577 HydrophobicContact CG2-CG2 4.38Å; L448-V577 PolarHBondContact N-O 3.34Å; V577-L579 HydrophobicContact CG1-CD2 4.18Å; V577-I612 WeakPolarHBondContact CA-O 3.42Å; V577-I612 HydrophobicContact CB-CG1 4.37Å; V577-I612 HydrophobicContact CG1-CD1 4.26Å; V577-I612 HydrophobicContact CG1-CG1 4.23Å; V577-I612 HydrophobicContact CG2-CD1 4Å; V577-I612 HydrophobicContact CG2-CG1 3.91Å; V577-V614 HydrophobicContact CG1-CG2 4.13Å
578	V	98.9	Very high	98.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.6	167.7	-178	0	0	0	0	110.1	L448 L450 I603 L607 I612 L613 V614	L448-V578 HydrophobicContact CB-CG2 4.28Å; L448-V578 HydrophobicContact CD2-CG1 4.42Å; L448-V578 HydrophobicContact CD2-CG2 4.34Å; L448-V578 CarbonylContact O-C 3.55Å; L448-V578 WeakPolarHBondContact O-CA 3.49Å; L450-V578 HydrophobicContact CD1-CG1 3.58Å; L450-V578 HydrophobicContact CG-CG1 3.93Å; V578-I603 HydrophobicContact CB-CG2 3.89Å; V578-I603 HydrophobicContact CG1-CD1 4.45Å; V578-I603 HydrophobicContact CG1-CG1 4.07Å; V578-I603 HydrophobicContact CG1-CG2 3.88Å; V578-I603 HydrophobicContact CG2-CG2 4.2Å; V578-L607 HydrophobicContact CB-CD2 4.36Å; V578-L607 HydrophobicContact CG2-CD2 3.72Å; V578-L607 HydrophobicContact CG2-CG 3.9Å; V578-I612 PolarHBondContact N-O 3.23Å; V578-L613 WeakPolarHBondContact O-CA 3.42Å; V578-L613 WeakPolarHBondContact O-CD1 3.32Å; V578-V614 PolarHBondContact O-N 2.83Å
579	L	98.9	Very high	98.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	119	171.9	-56.8	-178.9	0	0	0	109.2	F442 V447 L448 D449 L450 I461 V577 L581 V614	F442-L579 HydrophobicContact CE1-CD1 4.24Å; F442-L579 HydrophobicContact CE1-CD2 3.86Å; F442-L579 HydrophobicContact CE1-CG 4.37Å; F442-L579 HydrophobicContact CZ-CD2 4.06Å; V447-L579 HydrophobicContact CG1-CD1 4.38Å; V447-L579 HydrophobicContact CG1-CG 4.3Å; L448-L579 PolarHBondContact O-N 2.81Å; D449-L579 HydrophobicContact CB-CB 4.42Å; D449-L579 HydrophobicContact CB-CD1 4.28Å; L450-L579 WeakPolarHBondContact CB-O 3.46Å; L450-L579 PolarHBondContact N-O 2.99Å; I461-L579 HydrophobicContact CD1-CD1 3.76Å; V577-L579 HydrophobicContact CG1-CD2 4.18Å; L579-L581 HydrophobicContact CB-CD1 4.05Å; L579-L581 HydrophobicContact CB-CG 4.06Å; L579-L581 HydrophobicContact CD1-CD1 4.18Å; L579-L581 HydrophobicContact CD2-CD1 4.26Å; L579-L581 HydrophobicContact CG-CD1 4.41Å; L579-V614 HydrophobicContact CD2-CB 3.58Å; L579-V614 HydrophobicContact CD2-CG1 4.22Å; L579-V614 HydrophobicContact CD2-CG2 3.55Å
580	C	98.9	Very high	98.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	62.2	173.3	-179.1	0	0	0	0	109.4	M599 I603 L613 V614 L615 E616	C580-M599 VanDerWaalsContact SG-CE 3.56Å; C580-I603 HydrophobicContact CB-CD1 4.15Å; C580-L613 HydrophobicContact CB-CD1 3.63Å; C580-V614 PolarHBondContact N-O 2.95Å; C580-L615 HydrophobicContact CB-CD1 3.79Å; C580-E616 PolarHBondContact O-N 2.87Å
581	L	98.8	Very high	98.7	Very high	9 Å²	9	22 Å²	22	5%	0.047	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.5	-166.6	-59.4	174.5	0	0	0	111.5	L437 L457 L579 L583 V614 E616	L437-L581 HydrophobicContact CD1-CD1 4.38Å; L457-L581 HydrophobicContact CD2-CD1 3.42Å; L457-L581 VanDerWaalsContact CD2-CD1 3.42Å; L579-L581 HydrophobicContact CB-CD1 4.05Å; L579-L581 HydrophobicContact CB-CG 4.06Å; L579-L581 HydrophobicContact CD1-CD1 4.18Å; L579-L581 HydrophobicContact CD2-CD1 4.26Å; L579-L581 HydrophobicContact CG-CD1 4.41Å; L581-L583 PolarHBondContact O-N 3.41Å; L581-L583 VanDerWaalsContact O-N 3.14Å; L581-V614 HydrophobicContact CD2-CG1 4.02Å; L581-E616 HydrophobicContact CB-CB 4.26Å; L581-E616 HydrophobicContact CD2-CB 3.63Å
582	S	98.3	Very high	98.7	Very high	7 Å²	7	21.7 Å²	21.7	5%	0.049	11%	0.114	C	C	.	.	S	Bend	trans	60.3	15	-177.1	-67.6	0	0	0	0	116	Y421 R425 E616 Q618 R676	Y421-S582 WeakPolarHBondContact OH-CB 3.47Å; Y421-S582 PolarHBondContact OH-OG 3.35Å; R425-S582 PolarHBondContact NH1-OG 3.19Å; S582-E616 WeakPolarHBondContact CA-O 3.35Å; S582-E616 PolarHBondContact N-O 3.38Å; S582-E616 PolarHBondContact N-OE2 2.7Å; S582-E616 PolarHBondContact OG-OE1 3.02Å; S582-E616 PolarHBondContact OG-OE2 3.04Å; S582-Q618 VanDerWaalsContact C-NE2 3.35Å; S582-Q618 PolarHBondContact O-NE2 2.98Å; S582-Q618 PolarHBondContact O-OE1 2.95Å; S582-R676 PolarHBondContact OG-NH1 3.11Å
583	L	98.8	Very high	98.7	Very high	27 Å²	27	18.6 Å²	18.6	14%	0.141	9%	0.094	C	C	.	.			trans	-89.3	-40	-178.1	-178.5	60.4	0	0	0	113.6	L450 L581 K585 W586 V587 M599	L450-L583 HydrophobicContact CB-CD2 3.63Å; L581-L583 PolarHBondContact O-N 3.41Å; L581-L583 VanDerWaalsContact O-N 3.14Å; L583-K585 PolarHBondContact O-N 3.07Å; L583-K585 VanDerWaalsContact O-N 3.11Å; L583-W586 PolarHBondContact O-N 3.24Å; L583-V587 HydrophobicContact CD1-CG2 4.04Å; L583-V587 HydrophobicContact CD2-CG2 4.29Å; L583-V587 HydrophobicContact CG-CG2 3.91Å; L583-V587 PolarHBondContact O-N 3.02Å; L583-M599 HydrophobicContact CD2-SD 3.92Å; L583-M599 HydrophobicContact CG-SD 4.31Å
584	T	98.8	Very high	98.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-46.7	-50.9	-164.4	53.1	0	0	0	0	114	W586 V587 H588 L596 M599 F600 L615 F647	T584-W586 VanDerWaalsContact C-N 3.28Å; T584-W586 PolarHBondContact O-N 3.18Å; T584-V587 PolarHBondContact O-N 2.74Å; T584-H588 WeakPolarHBondContact O-CB 3.4Å; T584-H588 PolarHBondContact O-N 2.95Å; T584-L596 HydrophobicContact CG2-CD1 4.34Å; T584-M599 HydrophobicContact CG2-CE 4.11Å; T584-F600 HydrophobicContact CG2-CE1 4.02Å; T584-F600 HydrophobicContact CG2-CZ 4.01Å; T584-L615 HydrophobicContact CG2-CD1 3.79Å; T584-F647 HydrophobicContact CG2-CD2 4.45Å; T584-F647 HydrophobicContact CG2-CE2 4.01Å
585	K	98.8	Very high	98.7	Very high	14 Å²	14	16.4 Å²	16.4	6%	0.061	8%	0.079	C	C	.	.	H	α-helix	trans	-56.8	-37.7	179.1	173.7	170	58	-170.9	0	114	L583 L589 Q618 S622 Y623	L583-K585 PolarHBondContact O-N 3.07Å; L583-K585 VanDerWaalsContact O-N 3.11Å; K585-L589 HydrophobicContact CD-CD1 4.42Å; K585-L589 HydrophobicContact CG-CD1 3.8Å; K585-L589 HydrophobicContact CG-CG 4.23Å; K585-L589 VanDerWaalsContact O-CB 3.27Å; K585-L589 WeakPolarHBondContact O-CB 3.44Å; K585-L589 VanDerWaalsContact O-CG 3.25Å; K585-L589 WeakPolarHBondContact O-CG 3.36Å; K585-L589 PolarHBondContact O-N 2.71Å; K585-Q618 HydrophobicContact CB-CB 4.32Å; K585-Q618 HydrophobicContact CD-CB 4.42Å; K585-S622 PolarHBondContact NZ-OG 3.48Å; K585-Y623 WeakPolarHBondContact CA-OH 3.32Å; K585-Y623 HydrophobicContact CB-CD2 4.47Å; K585-Y623 HydrophobicContact CB-CE1 3.99Å; K585-Y623 HydrophobicContact CB-CE2 3.89Å; K585-Y623 HydrophobicContact CD-CD1 4.28Å; K585-Y623 HydrophobicContact CD-CD2 3.65Å; K585-Y623 HydrophobicContact CD-CE1 4.47Å; K585-Y623 HydrophobicContact CD-CE2 3.89Å; K585-Y623 HydrophobicContact CD-CG 3.86Å; K585-Y623 HydrophobicContact CG-CD1 3.82Å; K585-Y623 HydrophobicContact CG-CD2 3.95Å; K585-Y623 HydrophobicContact CG-CE1 3.71Å; K585-Y623 HydrophobicContact CG-CE2 3.86Å; K585-Y623 HydrophobicContact CG-CG 3.93Å
586	W	98.7	Very high	98.7	Very high	18 Å²	18	15.8 Å²	15.8	7%	0.068	8%	0.077	C	C	.	.	H	α-helix	trans	-74.7	-37	-176.1	-61.4	114.7	0	0	0	111.3	Y415 G416 Y418 L583 T584 N590 R626 L629	Y415-W586 VanDerWaalsContact O-CB 3.3Å; Y415-W586 WeakPolarHBondContact O-CB 3.42Å; G416-W586 VanDerWaalsContact CA-CD2 3.42Å; Y418-W586 HydrophobicContact CE2-CH2 4.08Å; Y418-W586 AromaticContact CE2-CZ2 3.76Å; Y418-W586 HydrophobicContact CE2-CZ2 3.76Å; Y418-W586 WeakPolarHBondContact OH-CH2 3.44Å; L583-W586 PolarHBondContact O-N 3.24Å; T584-W586 VanDerWaalsContact C-N 3.28Å; T584-W586 PolarHBondContact O-N 3.18Å; W586-N590 WeakPolarHBondContact O-CB 3.35Å; W586-N590 PolarHBondContact O-N 3.01Å; W586-N590 VanDerWaalsContact O-N 3.17Å; W586-N590 PolarHBondContact O-ND2 3.28Å; W586-R626 HydrophobicContact CH2-CB 4.41Å; W586-R626 HydrophobicContact CH2-CG 3.76Å; W586-R626 HydrophobicContact CZ3-CB 4.37Å; W586-R626 HydrophobicContact CZ3-CG 4.22Å; W586-L629 HydrophobicContact CZ3-CD1 3.9Å
587	V	98.8	Very high	98.8	Very high	5 Å²	5	17.4 Å²	17.4	3%	0.03	8%	0.082	C	C	.	.	H	α-helix	trans	-62.2	-55.9	169.2	164.3	0	0	0	0	110.4	V561 L583 T584 L589 N590 W591 G595 L596 M599	V561-V587 HydrophobicContact CG2-CB 4.27Å; V561-V587 HydrophobicContact CG2-CG1 3.63Å; V561-V587 HydrophobicContact CG2-CG2 3.72Å; L583-V587 HydrophobicContact CD1-CG2 4.04Å; L583-V587 HydrophobicContact CD2-CG2 4.29Å; L583-V587 HydrophobicContact CG-CG2 3.91Å; L583-V587 PolarHBondContact O-N 3.02Å; T584-V587 PolarHBondContact O-N 2.74Å; V587-L589 VanDerWaalsContact C-N 3.31Å; V587-L589 PolarHBondContact O-N 2.92Å; V587-N590 PolarHBondContact O-N 3.07Å; V587-W591 HydrophobicContact CB-CE3 4.34Å; V587-W591 HydrophobicContact CG1-CE3 4.36Å; V587-W591 HydrophobicContact CG2-CE3 4.36Å; V587-W591 HydrophobicContact CG2-CZ3 4.15Å; V587-W591 PolarHBondContact O-N 3.1Å; V587-G595 WeakPolarHBondContact CG1-O 3.42Å; V587-L596 HydrophobicContact CB-CD1 4.5Å; V587-L596 HydrophobicContact CG1-CB 4.26Å; V587-L596 HydrophobicContact CG1-CD1 4.1Å; V587-M599 HydrophobicContact CB-SD 4.15Å; V587-M599 HydrophobicContact CG1-CB 4.28Å; V587-M599 HydrophobicContact CG1-SD 4.11Å; V587-M599 HydrophobicContact CG2-SD 3.78Å
588	H	98.8	Very high	98.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.3	-38.2	-177.4	-163.2	-170.2	0	0	0	113.5	T584 G592 D593 L596 Y623 I640 L642 F647	T584-H588 WeakPolarHBondContact O-CB 3.4Å; T584-H588 PolarHBondContact O-N 2.95Å; H588-G592 WeakPolarHBondContact O-CA 3.45Å; H588-G592 PolarHBondContact O-N 3.33Å; H588-D593 IonicContact CD2-OD1 2.75Å; H588-L596 HydrophobicContact CB-CB 4.42Å; H588-L596 HydrophobicContact CB-CD1 4.35Å; H588-L596 HydrophobicContact CB-CD2 4.19Å; H588-Y623 HydrophobicContact CB-CE1 4.1Å; H588-Y623 AromaticContact CE1-CE1 2.77Å; H588-Y623 WeakPolarHBondContact CE1-CE1 3.06Å; H588-Y623 AromaticContact CE1-CE2 3.99Å; H588-Y623 AromaticContact CE1-CZ 2.69Å; H588-Y623 PolarHBondContact CE1-OH 3.29Å; H588-Y623 AromaticContact CG-CE1 3.92Å; H588-Y623 AromaticContact ND1-CE1 3.32Å; H588-Y623 VanDerWaalsContact ND1-CE1 3.32Å; H588-Y623 WeakPolarHBondContact ND1-CE1 3.18Å; H588-Y623 AromaticContact ND1-CZ 3.55Å; H588-Y623 PolarHBondContact ND1-OH 3.42Å; H588-I640 VanDerWaalsContact NE2-CG2 3.33Å; H588-I640 WeakPolarHBondContact NE2-CG2 3.31Å; H588-L642 PolarHBondContact NE2-O 3.28Å; H588-F647 AromaticContact CE1-CZ 3.56Å; H588-F647 AromaticContact ND1-CZ 3.92Å; H588-F647 AromaticContact NE2-CE1 3.59Å; H588-F647 AromaticContact NE2-CZ 3.78Å
589	L	98.6	Very high	98.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-73.8	-38.5	174.3	-74.8	177.8	0	0	0	113.2	K585 V587 Y623 R626 I633 N636 Y637 I640	K585-L589 HydrophobicContact CD-CD1 4.42Å; K585-L589 HydrophobicContact CG-CD1 3.8Å; K585-L589 HydrophobicContact CG-CG 4.23Å; K585-L589 VanDerWaalsContact O-CB 3.27Å; K585-L589 WeakPolarHBondContact O-CB 3.44Å; K585-L589 VanDerWaalsContact O-CG 3.25Å; K585-L589 WeakPolarHBondContact O-CG 3.36Å; K585-L589 PolarHBondContact O-N 2.71Å; V587-L589 VanDerWaalsContact C-N 3.31Å; V587-L589 PolarHBondContact O-N 2.92Å; L589-Y623 HydrophobicContact CD1-CD1 4.27Å; L589-Y623 HydrophobicContact CD2-CD1 3.75Å; L589-Y623 HydrophobicContact CG-CD1 3.83Å; L589-Y623 HydrophobicContact CG-CE1 4.28Å; L589-R626 HydrophobicContact CD1-CB 3.93Å; L589-I633 HydrophobicContact CB-CG1 4.27Å; L589-I633 HydrophobicContact CB-CG2 4.14Å; L589-I633 HydrophobicContact CD1-CG2 4.39Å; L589-I633 HydrophobicContact CD2-CG2 4.23Å; L589-I633 HydrophobicContact CG-CG2 4.5Å; L589-I633 WeakPolarHBondContact O-CA 2.77Å; L589-N636 WeakPolarHBondContact O-CB 3.42Å; L589-N636 PolarHBondContact O-ND2 3.07Å; L589-Y637 HydrophobicContact CD2-CD2 4.17Å; L589-I640 HydrophobicContact CD2-CD1 4.32Å
590	N	98.5	Very high	98.7	Very high	12 Å²	12	19.7 Å²	19.7	6%	0.064	9%	0.091	C	C	.	.	H	α-helix	trans	-82.5	-34.8	-175.8	-77.1	-89.3	0	0	0	113.2	Q414 Y415 W586 V587 N636	Q414-N590 PolarHBondContact NE2-OD1 2.69Å; Q414-N590 PolarHBondContact O-ND2 3.1Å; Y415-N590 HydrophobicContact CD1-CB 4.22Å; Y415-N590 HydrophobicContact CE1-CB 4.14Å; Y415-N590 WeakPolarHBondContact CE1-OD1 3.36Å; W586-N590 WeakPolarHBondContact O-CB 3.35Å; W586-N590 PolarHBondContact O-N 3.01Å; W586-N590 VanDerWaalsContact O-N 3.17Å; W586-N590 PolarHBondContact O-ND2 3.28Å; V587-N590 PolarHBondContact O-N 3.07Å; N590-N636 VanDerWaalsContact C-ND2 3.29Å; N590-N636 PolarHBondContact O-ND2 3.12Å
591	W	98.8	Very high	98.7	Very high	85 Å²	85	22.7 Å²	22.7	32%	0.322	10%	0.102	S	C	.	.	H	α-helix	trans	-121.8	6.4	-175.2	-59.5	-87.8	0	0	0	114.6	Y415 I475 N559 V561 V587 G595	Y415-W591 AromaticContact CD1-CH2 3.68Å; Y415-W591 HydrophobicContact CD1-CH2 3.68Å; Y415-W591 HydrophobicContact CD1-CZ2 4.36Å; Y415-W591 HydrophobicContact CD1-CZ3 4.25Å; Y415-W591 AromaticContact CE1-CH2 3.68Å; Y415-W591 HydrophobicContact CE1-CH2 3.68Å; Y415-W591 AromaticContact CE1-CZ2 3.89Å; Y415-W591 HydrophobicContact CE1-CZ2 3.89Å; Y415-W591 HydrophobicContact CE1-CZ3 4.49Å; I475-W591 HydrophobicContact CD1-CH2 3.78Å; I475-W591 HydrophobicContact CD1-CZ2 4.03Å; N559-W591 WeakPolarHBondContact ND2-CZ2 3.4Å; V561-W591 HydrophobicContact CB-CD2 4.27Å; V561-W591 HydrophobicContact CB-CE3 4.39Å; V561-W591 HydrophobicContact CG1-CB 4.2Å; V561-W591 HydrophobicContact CG1-CD2 4.23Å; V561-W591 HydrophobicContact CG1-CG 4.02Å; V561-W591 HydrophobicContact CG2-CD2 4.27Å; V561-W591 HydrophobicContact CG2-CE3 3.9Å; V561-W591 HydrophobicContact CG2-CZ3 4.18Å; V587-W591 HydrophobicContact CB-CE3 4.34Å; V587-W591 HydrophobicContact CG1-CE3 4.36Å; V587-W591 HydrophobicContact CG2-CE3 4.36Å; V587-W591 HydrophobicContact CG2-CZ3 4.15Å; V587-W591 PolarHBondContact O-N 3.1Å; W591-G595 PolarHBondContact O-N 3.14Å
592	G	98.7	Very high	98.7	Very high	9 Å²	9	24.2 Å²	24.2	9%	0.093	11%	0.107	C	C	.	.	H	α-helix	trans	71.1	-166.5	176.8	0	0	0	0	0	113.7	H588 L596 N636	H588-G592 WeakPolarHBondContact O-CA 3.45Å; H588-G592 PolarHBondContact O-N 3.33Å; G592-L596 PolarHBondContact O-N 3.28Å; G592-N636 PolarHBondContact N-ND2 3.44Å
593	D	98.8	Very high	98.8	Very high	19 Å²	19	23.9 Å²	23.9	10%	0.102	11%	0.105	C	C	.	.	H	α-helix	trans	-58.7	-47	176.2	-67.6	23.7	0	0	0	110.4	H588 G595 L596 K597 I640 Q641 L642	H588-D593 IonicContact CD2-OD1 2.75Å; D593-G595 PolarHBondContact O-N 2.89Å; D593-L596 CarbonylContact O-C 3.5Å; D593-L596 WeakPolarHBondContact O-CA 3.35Å; D593-L596 WeakPolarHBondContact O-CB 3.48Å; D593-L596 PolarHBondContact O-N 3.19Å; D593-K597 WeakPolarHBondContact O-CG 3.42Å; D593-K597 PolarHBondContact O-N 3.42Å; D593-I640 WeakPolarHBondContact OD1-CA 3.2Å; D593-I640 WeakPolarHBondContact OD1-CB 3.37Å; D593-I640 WeakPolarHBondContact OD1-CG1 3.09Å; D593-Q641 PolarHBondContact OD1-N 3.22Å; D593-Q641 WeakPolarHBondContact OD2-CA 3.43Å; D593-Q641 PolarHBondContact OD2-N 2.85Å; D593-L642 PolarHBondContact OD2-N 3.38Å
594	E	98.7	Very high	98.8	Very high	98 Å²	98	24.6 Å²	24.6	46%	0.458	11%	0.106	S	C	.	.	H	α-helix	trans	-60.2	-42.9	-177.3	-51.8	-41.3	119.8	0	0	112.8	L596 K597 R598	E594-L596 VanDerWaalsContact C-N 3.28Å; E594-L596 PolarHBondContact O-N 2.91Å; E594-K597 PolarHBondContact O-N 3.41Å; E594-K597 IonicContact OE1-NZ 3.58Å; E594-K597 PolarHBondContact OE1-NZ 3.5Å; E594-K597 WeakPolarHBondContact OE2-CD 3.43Å; E594-K597 IonicContact OE2-NZ 2.85Å; E594-K597 PolarHBondContact OE2-NZ 3.08Å; E594-R598 WeakPolarHBondContact O-CB 3.39Å; E594-R598 VanDerWaalsContact O-CG 3.26Å; E594-R598 WeakPolarHBondContact O-CG 3.44Å; E594-R598 PolarHBondContact O-N 2.75Å
595	G	98.8	Very high	98.8	Very high	3 Å²	3	28 Å²	28	3%	0.031	12%	0.119	C	C	.	.	H	α-helix	trans	-65.5	-30.1	174	0	0	0	0	0	113.8	V587 W591 D593 M599	V587-G595 WeakPolarHBondContact CG1-O 3.42Å; W591-G595 PolarHBondContact O-N 3.14Å; D593-G595 PolarHBondContact O-N 2.89Å; G595-M599 WeakPolarHBondContact O-CB 3.45Å; G595-M599 PolarHBondContact O-N 3.42Å; G595-M599 VanDerWaalsContact O-N 3.13Å
596	L	98.9	Very high	98.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-74.5	-44.1	174.3	-175.3	71.8	0	0	0	111.8	T584 V587 H588 G592 D593 E594 M599 F600 L642 F647	T584-L596 HydrophobicContact CG2-CD1 4.34Å; V587-L596 HydrophobicContact CB-CD1 4.5Å; V587-L596 HydrophobicContact CG1-CB 4.26Å; V587-L596 HydrophobicContact CG1-CD1 4.1Å; H588-L596 HydrophobicContact CB-CB 4.42Å; H588-L596 HydrophobicContact CB-CD1 4.35Å; H588-L596 HydrophobicContact CB-CD2 4.19Å; G592-L596 PolarHBondContact O-N 3.28Å; D593-L596 CarbonylContact O-C 3.5Å; D593-L596 WeakPolarHBondContact O-CA 3.35Å; D593-L596 WeakPolarHBondContact O-CB 3.48Å; D593-L596 PolarHBondContact O-N 3.19Å; E594-L596 VanDerWaalsContact C-N 3.28Å; E594-L596 PolarHBondContact O-N 2.91Å; L596-M599 HydrophobicContact CD1-CE 3.69Å; L596-M599 WeakPolarHBondContact O-CB 3.27Å; L596-M599 PolarHBondContact O-N 2.92Å; L596-F600 HydrophobicContact CD1-CE1 4.32Å; L596-F600 HydrophobicContact CD1-CE2 3.94Å; L596-F600 HydrophobicContact CD1-CZ 3.81Å; L596-F600 HydrophobicContact CD2-CE2 3.75Å; L596-F600 HydrophobicContact CD2-CZ 4.2Å; L596-F600 HydrophobicContact CG-CD2 4.02Å; L596-F600 HydrophobicContact CG-CE2 3.56Å; L596-F600 HydrophobicContact CG-CZ 3.99Å; L596-F600 WeakPolarHBondContact O-CD2 3.27Å; L596-F600 WeakPolarHBondContact O-CG 3.42Å; L596-F600 PolarHBondContact O-N 3.02Å; L596-L642 HydrophobicContact CD2-CD2 4.39Å; L596-F647 HydrophobicContact CD2-CD1 4.22Å; L596-F647 HydrophobicContact CD2-CE1 3.36Å; L596-F647 HydrophobicContact CD2-CE2 4.31Å; L596-F647 HydrophobicContact CD2-CZ 3.42Å; L596-F647 VanDerWaalsContact CD2-CZ 3.42Å
597	K	98.9	Very high	98.8	Very high	58 Å²	58	26.9 Å²	26.9	25%	0.252	11%	0.114	S	C	.	.	H	α-helix	trans	-57.1	-50	174	-67.4	174.9	-172.1	165.6	0	110.8	D593 E594 M599 F600 R601 L642 Y650	D593-K597 WeakPolarHBondContact O-CG 3.42Å; D593-K597 PolarHBondContact O-N 3.42Å; E594-K597 PolarHBondContact O-N 3.41Å; E594-K597 IonicContact OE1-NZ 3.58Å; E594-K597 PolarHBondContact OE1-NZ 3.5Å; E594-K597 WeakPolarHBondContact OE2-CD 3.43Å; E594-K597 IonicContact OE2-NZ 2.85Å; E594-K597 PolarHBondContact OE2-NZ 3.08Å; K597-M599 VanDerWaalsContact C-N 3.32Å; K597-M599 PolarHBondContact O-N 3.11Å; K597-F600 PolarHBondContact O-N 3.15Å; K597-F600 VanDerWaalsContact O-N 3.11Å; K597-R601 PolarHBondContact O-N 3.12Å; K597-L642 HydrophobicContact CG-CD2 4.46Å; K597-Y650 HydrophobicContact CB-CE1 4.11Å; K597-Y650 WeakPolarHBondContact CB-OH 3.31Å; K597-Y650 HydrophobicContact CG-CE1 3.82Å; K597-Y650 HydrophobicContact CG-CE2 4.46Å; K597-Y650 WeakPolarHBondContact CG-OH 3.3Å
598	R	98.9	Very high	98.8	Very high	50 Å²	50	30.4 Å²	30.4	19%	0.189	13%	0.127	C	C	.	.	H	α-helix	trans	-57.6	-41.7	175.2	-74	174.2	-178.2	178.5	-5.7	112.7	L562 D563 D565 V568 E594 R602	L562-R598 WeakPolarHBondContact O-CD 3.38Å; L562-R598 PolarHBondContact O-NH1 2.94Å; D563-R598 PolarHBondContact O-NH1 3.4Å; D563-R598 PolarHBondContact O-NH2 2.85Å; D565-R598 WeakPolarHBondContact OD1-CG 3.23Å; D565-R598 IonicContact OD1-CZ 3.83Å; D565-R598 IonicContact OD1-NE 3.72Å; D565-R598 PolarHBondContact OD1-NE 3.14Å; D565-R598 IonicContact OD1-NH2 2.72Å; D565-R598 IonicContact OD2-CZ 3.57Å; D565-R598 IonicContact OD2-NE 3.72Å; D565-R598 IonicContact OD2-NH2 3.48Å; D565-R598 PolarHBondContact OD2-NH2 2.87Å; V568-R598 HydrophobicContact CG2-CB 4Å; V568-R598 HydrophobicContact CG2-CG 4.13Å; E594-R598 WeakPolarHBondContact O-CB 3.39Å; E594-R598 VanDerWaalsContact O-CG 3.26Å; E594-R598 WeakPolarHBondContact O-CG 3.44Å; E594-R598 PolarHBondContact O-N 2.75Å; R598-R602 WeakPolarHBondContact O-CB 3.47Å; R598-R602 PolarHBondContact O-N 2.9Å
599	M	98.9	Very high	98.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.5	-50.6	173.2	-177.1	-167.2	79.7	0	0	110.9	Y560 C580 L583 T584 V587 G595 L596 K597 R602 I603	Y560-M599 HydrophobicContact CD1-CG 3.92Å; Y560-M599 HydrophobicContact CE1-CG 4.2Å; C580-M599 VanDerWaalsContact SG-CE 3.56Å; L583-M599 HydrophobicContact CD2-SD 3.92Å; L583-M599 HydrophobicContact CG-SD 4.31Å; T584-M599 HydrophobicContact CG2-CE 4.11Å; V587-M599 HydrophobicContact CB-SD 4.15Å; V587-M599 HydrophobicContact CG1-CB 4.28Å; V587-M599 HydrophobicContact CG1-SD 4.11Å; V587-M599 HydrophobicContact CG2-SD 3.78Å; G595-M599 WeakPolarHBondContact O-CB 3.45Å; G595-M599 PolarHBondContact O-N 3.42Å; G595-M599 VanDerWaalsContact O-N 3.13Å; L596-M599 HydrophobicContact CD1-CE 3.69Å; L596-M599 WeakPolarHBondContact O-CB 3.27Å; L596-M599 PolarHBondContact O-N 2.92Å; K597-M599 VanDerWaalsContact C-N 3.32Å; K597-M599 PolarHBondContact O-N 3.11Å; M599-R602 PolarHBondContact O-N 2.98Å; M599-I603 HydrophobicContact CE-CD1 4.24Å; M599-I603 HydrophobicContact CG-CD1 4Å; M599-I603 VanDerWaalsContact O-CG1 3.23Å; M599-I603 WeakPolarHBondContact O-CG1 3.5Å; M599-I603 PolarHBondContact O-N 2.8Å
600	F	98.9	Very high	98.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-46.7	-179.4	-69.7	-35.3	0	0	0	113	T584 L596 K597 I603 Y604 L615 F647 Y650 L651 V656	T584-F600 HydrophobicContact CG2-CE1 4.02Å; T584-F600 HydrophobicContact CG2-CZ 4.01Å; L596-F600 HydrophobicContact CD1-CE1 4.32Å; L596-F600 HydrophobicContact CD1-CE2 3.94Å; L596-F600 HydrophobicContact CD1-CZ 3.81Å; L596-F600 HydrophobicContact CD2-CE2 3.75Å; L596-F600 HydrophobicContact CD2-CZ 4.2Å; L596-F600 HydrophobicContact CG-CD2 4.02Å; L596-F600 HydrophobicContact CG-CE2 3.56Å; L596-F600 HydrophobicContact CG-CZ 3.99Å; L596-F600 WeakPolarHBondContact O-CD2 3.27Å; L596-F600 WeakPolarHBondContact O-CG 3.42Å; L596-F600 PolarHBondContact O-N 3.02Å; K597-F600 PolarHBondContact O-N 3.15Å; K597-F600 VanDerWaalsContact O-N 3.11Å; F600-I603 PolarHBondContact O-N 3.05Å; F600-Y604 PolarHBondContact O-N 3.17Å; F600-L615 HydrophobicContact CE1-CD1 4.06Å; F600-F647 HydrophobicContact CE2-CD1 4.22Å; F600-F647 HydrophobicContact CE2-CD2 4.45Å; F600-F647 HydrophobicContact CE2-CG 4.17Å; F600-F647 HydrophobicContact CZ-CB 4.47Å; F600-F647 HydrophobicContact CZ-CD1 4.48Å; F600-F647 AromaticContact CZ-CD2 3.92Å; F600-F647 HydrophobicContact CZ-CD2 3.92Å; F600-F647 HydrophobicContact CZ-CE2 4.25Å; F600-F647 HydrophobicContact CZ-CG 4.05Å; F600-Y650 HydrophobicContact CD2-CD1 4.01Å; F600-Y650 HydrophobicContact CD2-CE1 4.2Å; F600-L651 HydrophobicContact CB-CD2 3.75Å; F600-L651 HydrophobicContact CD1-CD2 3.71Å; F600-L651 HydrophobicContact CD2-CD2 4.19Å; F600-L651 HydrophobicContact CD2-CG 4.48Å; F600-L651 HydrophobicContact CE1-CD1 4.4Å; F600-L651 HydrophobicContact CE1-CD2 4.29Å; F600-L651 HydrophobicContact CG-CD2 3.65Å; F600-L651 HydrophobicContact CG-CG 4.4Å; F600-L651 HydrophobicContact CZ-CD1 4.5Å; F600-V656 HydrophobicContact CB-CG2 4.22Å
601	R	98.8	Very high	98.7	Very high	63 Å²	63	35.5 Å²	35.5	24%	0.238	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-43.1	175.3	179.6	56.1	173.8	-155.5	-4.2	111.7	V568 E569 K597 I603 Y604 R605 D655 V656	V568-R601 HydrophobicContact CG1-CB 4Å; V568-R601 HydrophobicContact CG1-CG 3.66Å; E569-R601 VanDerWaalsContact OE1-CG 3.24Å; E569-R601 WeakPolarHBondContact OE1-CG 3.37Å; E569-R601 IonicContact OE1-CZ 3.65Å; E569-R601 IonicContact OE1-NE 3.55Å; E569-R601 PolarHBondContact OE1-NE 2.88Å; E569-R601 IonicContact OE1-NH2 3.85Å; E569-R601 IonicContact OE2-CZ 2.8Å; E569-R601 IonicContact OE2-NE 2.69Å; E569-R601 PolarHBondContact OE2-NE 2.75Å; E569-R601 IonicContact OE2-NH2 3.54Å; E569-R601 PolarHBondContact OE2-NH2 2.92Å; K597-R601 PolarHBondContact O-N 3.12Å; R601-I603 PolarHBondContact O-N 2.85Å; R601-Y604 PolarHBondContact O-N 2.88Å; R601-R605 WeakPolarHBondContact O-CG 3.47Å; R601-R605 PolarHBondContact O-N 3.12Å; R601-D655 WeakPolarHBondContact CD-O 3.2Å; R601-D655 PolarHBondContact NH1-O 2.81Å; R601-V656 PolarHBondContact NH1-O 2.75Å; R601-V656 VanDerWaalsContact NH1-O 3.16Å
602	R	98.9	Very high	98.7	Very high	40 Å²	40	32.3 Å²	32.3	15%	0.151	16%	0.156	C	C	.	.	H	α-helix	trans	-61.1	-44.4	174.9	-168.3	-177.2	177.9	-172.3	1.9	111.8	Y560 V568 Q571 R598 M599 Y604 R605 H606	Y560-R602 HydrophobicContact CE1-CB 3.93Å; Y560-R602 HydrophobicContact CE1-CG 3.96Å; Y560-R602 PolarHBondContact O-NH1 3.11Å; V568-R602 HydrophobicContact CG1-CB 3.97Å; Q571-R602 HydrophobicContact CB-CG 4.22Å; Q571-R602 HydrophobicContact CG-CG 4.01Å; Q571-R602 VanDerWaalsContact OE1-CZ 3.29Å; R598-R602 WeakPolarHBondContact O-CB 3.47Å; R598-R602 PolarHBondContact O-N 2.9Å; M599-R602 PolarHBondContact O-N 2.98Å; R602-Y604 VanDerWaalsContact C-N 3.34Å; R602-Y604 PolarHBondContact O-N 2.8Å; R602-R605 PolarHBondContact O-N 2.79Å; R602-H606 WeakPolarHBondContact O-CB 3.36Å; R602-H606 PolarHBondContact O-N 2.8Å
603	I	98.9	Very high	98.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-55.6	-49.4	174.4	-69.3	166.4	0	0	0	110.7	L450 Y560 V578 C580 M599 F600 R601 R605 H606 L607 L613 F658	L450-I603 HydrophobicContact CD1-CD1 3.74Å; L450-I603 HydrophobicContact CD1-CG1 3.74Å; Y560-I603 HydrophobicContact CE1-CG1 3.8Å; Y560-I603 WeakPolarHBondContact OH-CA 3.24Å; Y560-I603 PolarHBondContact OH-N 3.12Å; V578-I603 HydrophobicContact CB-CG2 3.89Å; V578-I603 HydrophobicContact CG1-CD1 4.45Å; V578-I603 HydrophobicContact CG1-CG1 4.07Å; V578-I603 HydrophobicContact CG1-CG2 3.88Å; V578-I603 HydrophobicContact CG2-CG2 4.2Å; C580-I603 HydrophobicContact CB-CD1 4.15Å; M599-I603 HydrophobicContact CE-CD1 4.24Å; M599-I603 HydrophobicContact CG-CD1 4Å; M599-I603 VanDerWaalsContact O-CG1 3.23Å; M599-I603 WeakPolarHBondContact O-CG1 3.5Å; M599-I603 PolarHBondContact O-N 2.8Å; F600-I603 PolarHBondContact O-N 3.05Å; R601-I603 PolarHBondContact O-N 2.85Å; I603-R605 VanDerWaalsContact C-N 3.28Å; I603-R605 PolarHBondContact O-N 3.14Å; I603-H606 WeakPolarHBondContact O-CB 3.28Å; I603-H606 PolarHBondContact O-N 3.09Å; I603-H606 VanDerWaalsContact O-N 3.17Å; I603-L607 HydrophobicContact CG2-CD1 4.17Å; I603-L607 PolarHBondContact O-N 2.93Å; I603-L607 VanDerWaalsContact O-N 3.09Å; I603-L613 HydrophobicContact CD1-CD1 4.3Å; I603-L613 HydrophobicContact CG2-CB 4.11Å; I603-L613 HydrophobicContact CG2-CD1 4.01Å; I603-L613 HydrophobicContact CG2-CD2 4Å; I603-L613 HydrophobicContact CG2-CG 4.25Å; I603-F658 HydrophobicContact CG2-CZ 4.27Å
604	Y	98.8	Very high	98.7	Very high	43 Å²	43	31 Å²	31	17%	0.169	15%	0.147	C	C	.	.	H	α-helix	trans	-58.9	-40.1	179	179.4	-94.6	0	0	0	112.6	F600 R601 R602 V656 G657 F658 K683	F600-Y604 PolarHBondContact O-N 3.17Å; R601-Y604 PolarHBondContact O-N 2.88Å; R602-Y604 VanDerWaalsContact C-N 3.34Å; R602-Y604 PolarHBondContact O-N 2.8Å; Y604-V656 WeakPolarHBondContact CD1-O 3.34Å; Y604-V656 HydrophobicContact CD2-CG1 4.44Å; Y604-V656 WeakPolarHBondContact CE1-O 3.38Å; Y604-V656 HydrophobicContact CG-CG1 4.18Å; Y604-V656 VanDerWaalsContact CG-O 3.23Å; Y604-G657 WeakPolarHBondContact CE2-O 3.31Å; Y604-G657 VanDerWaalsContact CZ-O 3.23Å; Y604-G657 PolarHBondContact OH-O 3.38Å; Y604-F658 AromaticContact CD2-CD1 3.96Å; Y604-F658 HydrophobicContact CD2-CD1 3.96Å; Y604-F658 AromaticContact CD2-CD2 3.87Å; Y604-F658 HydrophobicContact CD2-CD2 3.87Å; Y604-F658 AromaticContact CD2-CE1 3.99Å; Y604-F658 HydrophobicContact CD2-CE1 3.99Å; Y604-F658 AromaticContact CD2-CE2 3.89Å; Y604-F658 HydrophobicContact CD2-CE2 3.89Å; Y604-F658 AromaticContact CD2-CG 3.91Å; Y604-F658 HydrophobicContact CD2-CG 3.91Å; Y604-F658 AromaticContact CD2-CZ 3.95Å; Y604-F658 HydrophobicContact CD2-CZ 3.95Å; Y604-F658 HydrophobicContact CE2-CD1 4.4Å; Y604-F658 HydrophobicContact CE2-CG 4.38Å; Y604-F658 HydrophobicContact CG-CE2 4.38Å; Y604-K683 HydrophobicContact CD2-CD 4.07Å; Y604-K683 HydrophobicContact CD2-CG 4.33Å; Y604-K683 HydrophobicContact CE1-CD 4.45Å; Y604-K683 HydrophobicContact CE2-CB 4.16Å; Y604-K683 HydrophobicContact CE2-CD 3.72Å; Y604-K683 HydrophobicContact CE2-CG 3.63Å; Y604-K683 PolarHBondContact O-NZ 3.31Å
605	R	98.6	Very high	98.8	Very high	70 Å²	70	26.4 Å²	26.4	26%	0.264	13%	0.126	S	C	.	.	H	α-helix	trans	-71.1	-34.4	176.3	-69.6	-167.1	60.6	99	17.3	113.5	V568 E569 Q571 T572 P573 R601 R602 I603 L607	V568-R605 WeakPolarHBondContact O-CD 3.47Å; V568-R605 PolarHBondContact O-NE 3.25Å; E569-R605 PolarHBondContact O-NE 2.82Å; E569-R605 PolarHBondContact O-NH1 3.04Å; E569-R605 PolarHBondContact O-NH2 3.44Å; E569-R605 WeakPolarHBondContact OE1-CD 3.21Å; E569-R605 WeakPolarHBondContact OE2-CD 3.05Å; E569-R605 IonicContact OE2-CZ 2.85Å; E569-R605 IonicContact OE2-NE 2.76Å; E569-R605 IonicContact OE2-NH1 3.03Å; E569-R605 PolarHBondContact OE2-NH1 3.24Å; Q571-R605 HydrophobicContact CB-CB 4.12Å; Q571-R605 HydrophobicContact CG-CB 4.23Å; Q571-R605 PolarHBondContact O-NE 3.28Å; Q571-R605 PolarHBondContact O-NH2 3.06Å; T572-R605 CarbonylContact C-O 3.58Å; P573-R605 WeakPolarHBondContact CA-O 3.26Å; R601-R605 WeakPolarHBondContact O-CG 3.47Å; R601-R605 PolarHBondContact O-N 3.12Å; R602-R605 PolarHBondContact O-N 2.79Å; I603-R605 VanDerWaalsContact C-N 3.28Å; I603-R605 PolarHBondContact O-N 3.14Å; R605-L607 VanDerWaalsContact C-N 3.3Å; R605-L607 PolarHBondContact O-N 3.26Å
606	H	98.7	Very high	98.8	Very high	9 Å²	9	26.4 Å²	26.4	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-68.2	-26.6	176.2	-125.9	163.4	0	0	0	113.5	L448 Y560 Q571 P573 E574 Y575 R602 I603	L448-H606 WeakPolarHBondContact CD2-ND1 3.3Å; Y560-H606 AromaticContact CE2-CE1 3.83Å; Y560-H606 AromaticContact CE2-ND1 3.53Å; Y560-H606 AromaticContact CZ-ND1 3.67Å; Y560-H606 PolarHBondContact OH-ND1 3.26Å; Q571-H606 VanDerWaalsContact CD-CD2 3.46Å; Q571-H606 HydrophobicContact CG-CB 4.32Å; Q571-H606 PolarHBondContact NE2-CD2 3.07Å; Q571-H606 PolarHBondContact NE2-NE2 3.47Å; P573-H606 CarbonylContact C-O 3.6Å; P573-H606 WeakPolarHBondContact CA-O 3.34Å; E574-H606 PolarHBondContact N-O 3.22Å; E574-H606 IonicContact OE1-CD2 2.71Å; E574-H606 IonicContact OE1-NE2 3.5Å; E574-H606 PolarHBondContact OE1-NE2 2.77Å; E574-H606 IonicContact OE2-NE2 3.45Å; Y575-H606 AromaticContact CD2-CD2 3.67Å; Y575-H606 AromaticContact CD2-CG 3.98Å; Y575-H606 AromaticContact CD2-NE2 3.82Å; Y575-H606 AromaticContact CE2-CD2 3.78Å; Y575-H606 AromaticContact CE2-CE1 3.82Å; Y575-H606 AromaticContact CE2-NE2 3.43Å; Y575-H606 WeakPolarHBondContact CE2-NE2 3.32Å; Y575-H606 PolarHBondContact N-O 2.81Å; Y575-H606 VanDerWaalsContact N-O 3.08Å; R602-H606 WeakPolarHBondContact O-CB 3.36Å; R602-H606 PolarHBondContact O-N 2.8Å; I603-H606 WeakPolarHBondContact O-CB 3.28Å; I603-H606 PolarHBondContact O-N 3.09Å; I603-H606 VanDerWaalsContact O-N 3.17Å
607	L	98.8	Very high	98.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	134.3	178.2	-76.9	170	0	0	0	111.8	Y575 D576 V578 I603 R605 L613 F658 K683	Y575-L607 CarbonylContact O-C 3.48Å; Y575-L607 WeakPolarHBondContact O-CA 3.25Å; D576-L607 WeakPolarHBondContact O-CD2 3.4Å; V578-L607 HydrophobicContact CB-CD2 4.36Å; V578-L607 HydrophobicContact CG2-CD2 3.72Å; V578-L607 HydrophobicContact CG2-CG 3.9Å; I603-L607 HydrophobicContact CG2-CD1 4.17Å; I603-L607 PolarHBondContact O-N 2.93Å; I603-L607 VanDerWaalsContact O-N 3.09Å; R605-L607 VanDerWaalsContact C-N 3.3Å; R605-L607 PolarHBondContact O-N 3.26Å; L607-L613 HydrophobicContact CD1-CB 4.06Å; L607-F658 HydrophobicContact CD1-CE1 3.66Å; L607-F658 HydrophobicContact CD1-CZ 3.85Å; L607-K683 HydrophobicContact CB-CD 4.03Å; L607-K683 PolarHBondContact O-NZ 3.08Å
608	R	98.6	Very high	98.7	Very high	80 Å²	80	24.3 Å²	24.3	30%	0.302	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	159	167.8	-62.7	-178.3	-168.1	138.2	-4.6	110.9	D446 P573 E574 Y575 D576 G610 G611	D446-R608 IonicContact OD2-CZ 2.94Å; D446-R608 IonicContact OD2-NH1 3.4Å; D446-R608 PolarHBondContact OD2-NH1 2.82Å; D446-R608 IonicContact OD2-NH2 2.77Å; D446-R608 PolarHBondContact OD2-NH2 3.35Å; P573-R608 HydrophobicContact CB-CG 4.01Å; E574-R608 VanDerWaalsContact O-CZ 3.29Å; E574-R608 PolarHBondContact O-NH2 3.17Å; Y575-R608 PolarHBondContact O-N 3.15Å; D576-R608 VanDerWaalsContact CG-NH1 3.31Å; D576-R608 WeakPolarHBondContact OD1-CD 3.02Å; D576-R608 IonicContact OD1-CZ 3.51Å; D576-R608 IonicContact OD1-NE 2.71Å; D576-R608 IonicContact OD1-NH1 3.51Å; D576-R608 PolarHBondContact OD1-NH1 3.4Å; D576-R608 IonicContact OD2-NH1 3.5Å; D576-R608 PolarHBondContact OD2-NH1 2.92Å; R608-G610 PolarHBondContact O-N 3.42Å; R608-G611 WeakPolarHBondContact O-CA 3.41Å; R608-G611 PolarHBondContact O-N 2.81Å
609	P	98.4	Very high	98.7	Very high	84 Å²	84	24.4 Å²	24.4	55%	0.545	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	134.6	170.6	-23.3	34.1	0	0	0	111	G611 A684 R685	P609-G611 PolarHBondContact O-N 2.87Å; P609-A684 CarbonylContact C-O 3.53Å; P609-A684 WeakPolarHBondContact CA-O 3.2Å; P609-R685 WeakPolarHBondContact CB-O 3.12Å
610	G	98	Very high	98.6	Very high	30 Å²	30	27.4 Å²	27.4	31%	0.309	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	78.7	-2.4	-171.2	0	0	0	0	0	115.8	R608 K683 A684	R608-G610 PolarHBondContact O-N 3.42Å; G610-K683 WeakPolarHBondContact CA-O 3.24Å; G610-K683 PolarHBondContact N-O 2.91Å; G610-K683 VanDerWaalsContact N-O 3.14Å; G610-A684 PolarHBondContact N-O 3.04Å
611	G	98.6	Very high	98.5	Very high	4 Å²	4	31.9 Å²	31.9	4%	0.041	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	161.6	178.4	0	0	0	0	0	114.1	D576 R608 P609 K683	D576-G611 CarbonylContact O-C 3.56Å; D576-G611 WeakPolarHBondContact O-CA 3.24Å; R608-G611 WeakPolarHBondContact O-CA 3.41Å; R608-G611 PolarHBondContact O-N 2.81Å; P609-G611 PolarHBondContact O-N 2.87Å; G611-K683 WeakPolarHBondContact O-CB 3.44Å; G611-K683 PolarHBondContact O-N 2.9Å
612	I	98.8	Very high	98.4	Very high	19 Å²	19	30.2 Å²	30.2	10%	0.097	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.3	-170.8	47.2	163.4	0	0	0	114	W441 D576 V577 V578 L680 F681 H682	W441-I612 HydrophobicContact CB-CD1 3.91Å; W441-I612 HydrophobicContact CD2-CD1 4.42Å; W441-I612 HydrophobicContact CG-CD1 4Å; D576-I612 PolarHBondContact O-N 3.39Å; V577-I612 WeakPolarHBondContact CA-O 3.42Å; V577-I612 HydrophobicContact CB-CG1 4.37Å; V577-I612 HydrophobicContact CG1-CD1 4.26Å; V577-I612 HydrophobicContact CG1-CG1 4.23Å; V577-I612 HydrophobicContact CG2-CD1 4Å; V577-I612 HydrophobicContact CG2-CG1 3.91Å; V578-I612 PolarHBondContact N-O 3.23Å; I612-L680 HydrophobicContact CB-CD1 3.91Å; I612-L680 HydrophobicContact CB-CG 4.38Å; I612-L680 HydrophobicContact CD1-CD1 3.93Å; I612-L680 HydrophobicContact CG1-CD1 4.46Å; I612-L680 HydrophobicContact CG2-CD1 4.26Å; I612-L680 HydrophobicContact CG2-CD2 4.42Å; I612-L680 HydrophobicContact CG2-CG 4.22Å; I612-F681 WeakPolarHBondContact CA-O 3.4Å; I612-H682 WeakPolarHBondContact CG2-ND1 3.32Å
613	L	98.9	Very high	98.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.4	167.5	158.3	60.8	0	0	0	109.4	V578 C580 I603 L607 L615 L651 F658 F681	V578-L613 WeakPolarHBondContact O-CA 3.42Å; V578-L613 WeakPolarHBondContact O-CD1 3.32Å; C580-L613 HydrophobicContact CB-CD1 3.63Å; I603-L613 HydrophobicContact CD1-CD1 4.3Å; I603-L613 HydrophobicContact CG2-CB 4.11Å; I603-L613 HydrophobicContact CG2-CD1 4.01Å; I603-L613 HydrophobicContact CG2-CD2 4Å; I603-L613 HydrophobicContact CG2-CG 4.25Å; L607-L613 HydrophobicContact CD1-CB 4.06Å; L613-L615 HydrophobicContact CD1-CB 4.48Å; L613-L615 HydrophobicContact CD1-CD1 4.43Å; L613-L615 HydrophobicContact CG-CB 4.47Å; L613-L651 HydrophobicContact CD2-CD1 4.49Å; L613-L651 HydrophobicContact CD2-CD2 3.99Å; L613-F658 HydrophobicContact CB-CE1 3.84Å; L613-F658 HydrophobicContact CB-CZ 3.66Å; L613-F658 HydrophobicContact CD2-CE1 4.49Å; L613-F658 HydrophobicContact CD2-CE2 3.79Å; L613-F658 HydrophobicContact CD2-CZ 3.67Å; L613-F658 HydrophobicContact CG-CZ 4.32Å; L613-F681 HydrophobicContact CB-CB 4.09Å; L613-F681 HydrophobicContact CD2-CB 4.39Å; L613-F681 HydrophobicContact CG-CB 4.35Å; L613-F681 HydrophobicContact CG-CD2 4.49Å; L613-F681 PolarHBondContact N-O 3.45Å; L613-F681 PolarHBondContact O-N 3.22Å
614	V	98.9	Very high	98.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	116.3	171.6	-167.5	0	0	0	0	109.6	L437 W441 V577 V578 L579 C580 L581 V678 L680	L437-V614 HydrophobicContact CD2-CG1 3.6Å; W441-V614 HydrophobicContact CE3-CG2 4.36Å; W441-V614 HydrophobicContact CZ3-CG1 4.49Å; W441-V614 HydrophobicContact CZ3-CG2 4.46Å; V577-V614 HydrophobicContact CG1-CG2 4.13Å; V578-V614 PolarHBondContact O-N 2.83Å; L579-V614 HydrophobicContact CD2-CB 3.58Å; L579-V614 HydrophobicContact CD2-CG1 4.22Å; L579-V614 HydrophobicContact CD2-CG2 3.55Å; C580-V614 PolarHBondContact N-O 2.95Å; L581-V614 HydrophobicContact CD2-CG1 4.02Å; V614-V678 HydrophobicContact CG1-CG1 3.71Å; V614-L680 HydrophobicContact CG2-CD1 3.76Å
615	L	98.9	Very high	98	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.7	-170.4	-168.5	71.2	0	0	0	112	C580 T584 F600 L613 P617 L651 V678 Y679 F681	C580-L615 HydrophobicContact CB-CD1 3.79Å; T584-L615 HydrophobicContact CG2-CD1 3.79Å; F600-L615 HydrophobicContact CE1-CD1 4.06Å; L613-L615 HydrophobicContact CD1-CB 4.48Å; L613-L615 HydrophobicContact CD1-CD1 4.43Å; L613-L615 HydrophobicContact CG-CB 4.47Å; L615-P617 VanDerWaalsContact O-CD 3.32Å; L615-P617 WeakPolarHBondContact O-CD 3.34Å; L615-L651 HydrophobicContact CD2-CD1 3.64Å; L615-V678 WeakPolarHBondContact O-CA 3.44Å; L615-Y679 PolarHBondContact N-O 3.3Å; L615-Y679 PolarHBondContact O-N 3.15Å; L615-F681 HydrophobicContact CB-CD2 4.27Å; L615-F681 HydrophobicContact CB-CE2 4.18Å; L615-F681 HydrophobicContact CD2-CD2 4.39Å; L615-F681 HydrophobicContact CD2-CE2 3.71Å; L615-F681 HydrophobicContact CD2-CZ 4.39Å
616	E	98.7	Very high	97.8	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	81.7	169.2	-177.1	-147.5	166.1	0	0	108.8	R425 R433 C580 L581 S582 R676 V678	R425-E616 IonicContact CZ-OE1 3.7Å; R425-E616 IonicContact CZ-OE2 2.81Å; R425-E616 IonicContact NH1-OE1 2.62Å; R425-E616 PolarHBondContact NH1-OE1 3.07Å; R425-E616 IonicContact NH1-OE2 3.87Å; R425-E616 PolarHBondContact NH1-OE2 2.85Å; R425-E616 IonicContact NH2-OE1 3.42Å; R425-E616 PolarHBondContact NH2-OE1 2.84Å; R425-E616 IonicContact NH2-OE2 3.83Å; R433-E616 IonicContact CZ-OE2 2.8Å; R433-E616 IonicContact NH1-OE2 2.96Å; R433-E616 PolarHBondContact NH1-OE2 3.14Å; C580-E616 PolarHBondContact O-N 2.87Å; L581-E616 HydrophobicContact CB-CB 4.26Å; L581-E616 HydrophobicContact CD2-CB 3.63Å; S582-E616 WeakPolarHBondContact CA-O 3.35Å; S582-E616 PolarHBondContact N-O 3.38Å; S582-E616 PolarHBondContact N-OE2 2.7Å; S582-E616 PolarHBondContact OG-OE1 3.02Å; S582-E616 PolarHBondContact OG-OE2 3.04Å; E616-R676 HydrophobicContact CG-CB 4.02Å; E616-R676 IonicContact OE1-CZ 4Å; E616-R676 IonicContact OE1-NE 2.69Å; E616-R676 IonicContact OE1-NH1 3.57Å; E616-R676 PolarHBondContact OE1-NH1 3.21Å; E616-V678 HydrophobicContact CB-CG2 4.46Å
617	P	98.4	Very high	97.6	Very high	10 Å²	10	38.4 Å²	38.4	7%	0.065	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-75	149.5	-178.9	32.9	-33	0	0	0	110.7	L615 F647 Y679	L615-P617 VanDerWaalsContact O-CD 3.32Å; L615-P617 WeakPolarHBondContact O-CD 3.34Å; P617-F647 HydrophobicContact CB-CD2 4Å; P617-F647 HydrophobicContact CB-CE2 4.14Å; P617-Y679 HydrophobicContact CG-CD2 4.07Å; P617-Y679 HydrophobicContact CG-CE2 3.87Å
618	Q	98.4	Very high	97.3	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.019	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-92.3	139.4	169.6	-57.9	113.5	-29.3	0	0	111.1	S582 K585 Y623 P644	S582-Q618 VanDerWaalsContact C-NE2 3.35Å; S582-Q618 PolarHBondContact O-NE2 2.98Å; S582-Q618 PolarHBondContact O-OE1 2.95Å; K585-Q618 HydrophobicContact CB-CB 4.32Å; K585-Q618 HydrophobicContact CD-CB 4.42Å; Q618-Y623 WeakPolarHBondContact O-CE2 3.37Å; Q618-P644 WeakPolarHBondContact O-CG 3.41Å
619	P	98	Very high	97	Very high	53 Å²	53	38.1 Å²	38.1	34%	0.344	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-67.8	153.1	-177.5	27.8	-36.1	0	0	0	112.1	S621 S622 Y623	P619-S621 PolarHBondContact O-N 3.47Å; P619-S622 WeakPolarHBondContact O-CB 3.45Å; P619-S622 PolarHBondContact O-N 3.16Å; P619-S622 PolarHBondContact O-OG 3.04Å; P619-Y623 WeakPolarHBondContact O-CD2 3.28Å
620	W	98.3	Very high	96.8	Very high	62 Å²	62	34.5 Å²	34.5	24%	0.235	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-54.5	-38.1	-176.6	178.2	-120.4	0	0	0	113.4	S622 Y623 Y637 I640 K643 P644 E645	W620-S622 PolarHBondContact O-N 2.7Å; W620-Y623 AromaticContact CE3-CD1 3.92Å; W620-Y623 HydrophobicContact CE3-CD1 3.92Å; W620-Y623 AromaticContact CE3-CD2 3.98Å; W620-Y623 HydrophobicContact CE3-CD2 3.98Å; W620-Y623 HydrophobicContact CE3-CE1 4.29Å; W620-Y623 HydrophobicContact CE3-CE2 4.33Å; W620-Y623 AromaticContact CE3-CG 3.77Å; W620-Y623 HydrophobicContact CE3-CG 3.77Å; W620-Y623 AromaticContact CZ3-CD1 3.73Å; W620-Y623 HydrophobicContact CZ3-CD1 3.73Å; W620-Y623 HydrophobicContact CZ3-CE1 4.21Å; W620-Y623 AromaticContact CZ3-CG 3.97Å; W620-Y623 HydrophobicContact CZ3-CG 3.97Å; W620-Y623 WeakPolarHBondContact O-CB 3.29Å; W620-Y623 WeakPolarHBondContact O-CD2 3.5Å; W620-Y623 PolarHBondContact O-N 2.84Å; W620-Y637 AromaticContact CH2-CD2 3.79Å; W620-Y637 HydrophobicContact CH2-CD2 3.79Å; W620-Y637 AromaticContact CH2-CE2 3.54Å; W620-Y637 HydrophobicContact CH2-CE2 3.54Å; W620-Y637 HydrophobicContact CZ2-CD2 4.36Å; W620-Y637 AromaticContact CZ2-CE2 3.68Å; W620-Y637 HydrophobicContact CZ2-CE2 3.68Å; W620-Y637 AromaticContact CZ2-CZ 3.87Å; W620-Y637 HydrophobicContact CZ3-CD2 4.32Å; W620-Y637 HydrophobicContact CZ3-CE2 4.16Å; W620-I640 HydrophobicContact CH2-CB 4.25Å; W620-I640 HydrophobicContact CH2-CG2 4.11Å; W620-I640 HydrophobicContact CZ3-CB 4.28Å; W620-I640 HydrophobicContact CZ3-CD1 4.16Å; W620-I640 HydrophobicContact CZ3-CG2 3.79Å; W620-K643 HydrophobicContact CD2-CD 4.19Å; W620-K643 HydrophobicContact CE3-CD 4.21Å; W620-K643 HydrophobicContact CZ3-CD 4.43Å; W620-P644 HydrophobicContact CB-CG 4.41Å; W620-E645 PolarHBondContact N-OE1 3.05Å
621	S	97.1	Very high	96.6	Very high	95 Å²	95	37.9 Å²	37.9	66%	0.664	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-53.7	-24.1	175.6	63.5	0	0	0	0	114.2	P619	P619-S621 PolarHBondContact O-N 3.47Å
622	S	96.6	Very high	96.5	Very high	27 Å²	27	41.6 Å²	41.6	19%	0.189	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-85.1	-9.4	179.3	79.2	0	0	0	0	114.7	K585 P619 W620	K585-S622 PolarHBondContact NZ-OG 3.48Å; P619-S622 WeakPolarHBondContact O-CB 3.45Å; P619-S622 PolarHBondContact O-N 3.16Å; P619-S622 PolarHBondContact O-OG 3.04Å; W620-S622 PolarHBondContact O-N 2.7Å
623	Y	97.8	Very high	96.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-40.2	-179.7	-72.7	-122.4	0	0	0	111.7	K585 H588 L589 Q618 P619 W620 K625 R626 K627 I640 P644	K585-Y623 WeakPolarHBondContact CA-OH 3.32Å; K585-Y623 HydrophobicContact CB-CD2 4.47Å; K585-Y623 HydrophobicContact CB-CE1 3.99Å; K585-Y623 HydrophobicContact CB-CE2 3.89Å; K585-Y623 HydrophobicContact CD-CD1 4.28Å; K585-Y623 HydrophobicContact CD-CD2 3.65Å; K585-Y623 HydrophobicContact CD-CE1 4.47Å; K585-Y623 HydrophobicContact CD-CE2 3.89Å; K585-Y623 HydrophobicContact CD-CG 3.86Å; K585-Y623 HydrophobicContact CG-CD1 3.82Å; K585-Y623 HydrophobicContact CG-CD2 3.95Å; K585-Y623 HydrophobicContact CG-CE1 3.71Å; K585-Y623 HydrophobicContact CG-CE2 3.86Å; K585-Y623 HydrophobicContact CG-CG 3.93Å; H588-Y623 HydrophobicContact CB-CE1 4.1Å; H588-Y623 AromaticContact CE1-CE1 2.77Å; H588-Y623 WeakPolarHBondContact CE1-CE1 3.06Å; H588-Y623 AromaticContact CE1-CE2 3.99Å; H588-Y623 AromaticContact CE1-CZ 2.69Å; H588-Y623 PolarHBondContact CE1-OH 3.29Å; H588-Y623 AromaticContact CG-CE1 3.92Å; H588-Y623 AromaticContact ND1-CE1 3.32Å; H588-Y623 VanDerWaalsContact ND1-CE1 3.32Å; H588-Y623 WeakPolarHBondContact ND1-CE1 3.18Å; H588-Y623 AromaticContact ND1-CZ 3.55Å; H588-Y623 PolarHBondContact ND1-OH 3.42Å; L589-Y623 HydrophobicContact CD1-CD1 4.27Å; L589-Y623 HydrophobicContact CD2-CD1 3.75Å; L589-Y623 HydrophobicContact CG-CD1 3.83Å; L589-Y623 HydrophobicContact CG-CE1 4.28Å; Q618-Y623 WeakPolarHBondContact O-CE2 3.37Å; P619-Y623 WeakPolarHBondContact O-CD2 3.28Å; W620-Y623 AromaticContact CE3-CD1 3.92Å; W620-Y623 HydrophobicContact CE3-CD1 3.92Å; W620-Y623 AromaticContact CE3-CD2 3.98Å; W620-Y623 HydrophobicContact CE3-CD2 3.98Å; W620-Y623 HydrophobicContact CE3-CE1 4.29Å; W620-Y623 HydrophobicContact CE3-CE2 4.33Å; W620-Y623 AromaticContact CE3-CG 3.77Å; W620-Y623 HydrophobicContact CE3-CG 3.77Å; W620-Y623 AromaticContact CZ3-CD1 3.73Å; W620-Y623 HydrophobicContact CZ3-CD1 3.73Å; W620-Y623 HydrophobicContact CZ3-CE1 4.21Å; W620-Y623 AromaticContact CZ3-CG 3.97Å; W620-Y623 HydrophobicContact CZ3-CG 3.97Å; W620-Y623 WeakPolarHBondContact O-CB 3.29Å; W620-Y623 WeakPolarHBondContact O-CD2 3.5Å; W620-Y623 PolarHBondContact O-N 2.84Å; Y623-K625 PolarHBondContact O-N 3.31Å; Y623-R626 PolarHBondContact O-N 3.28Å; Y623-K627 PolarHBondContact O-N 3.46Å; Y623-I640 HydrophobicContact CD1-CD1 4.46Å; Y623-I640 HydrophobicContact CE1-CD1 4.41Å; Y623-P644 HydrophobicContact CE2-CG 3.78Å
624	G	95.6	Very high	96.2	Very high	23 Å²	23	41.5 Å²	41.5	24%	0.237	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.1	-174.6	0	0	0	0	0	115	K627	G624-K627 PolarHBondContact O-NZ 3.09Å
625	K	93.4	Very high	96.2	Very high	172 Å²	172	45.7 Å²	45.7	75%	0.748	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.7	174.3	-60	-178.8	-177.6	179.5	0	114	Y623	Y623-K625 PolarHBondContact O-N 3.31Å
626	R	94.4	Very high	96.2	Very high	91 Å²	91	46.6 Å²	46.6	34%	0.343	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-8.9	-175.3	-58.2	-58.4	-176	-158.9	7.3	114	Y418 W586 L589 Y623 T628 L629 I633	Y418-R626 PolarHBondContact OH-NE 2.96Å; Y418-R626 PolarHBondContact OH-NH2 3.38Å; W586-R626 HydrophobicContact CH2-CB 4.41Å; W586-R626 HydrophobicContact CH2-CG 3.76Å; W586-R626 HydrophobicContact CZ3-CB 4.37Å; W586-R626 HydrophobicContact CZ3-CG 4.22Å; L589-R626 HydrophobicContact CD1-CB 3.93Å; Y623-R626 PolarHBondContact O-N 3.28Å; R626-T628 PolarHBondContact O-N 3.21Å; R626-L629 HydrophobicContact CB-CD1 3.96Å; R626-L629 HydrophobicContact CB-CG 4.5Å; R626-L629 WeakPolarHBondContact O-CG 3.4Å; R626-L629 PolarHBondContact O-N 2.83Å; R626-I633 WeakPolarHBondContact O-CG2 3.27Å
627	K	94.3	Very high	96.1	Very high	48 Å²	48	48.3 Å²	48.3	21%	0.209	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-22	179.9	71	179.8	178.4	-82.5	0	115.9	Y623 G624 Y634 Y637 Y638	Y623-K627 PolarHBondContact O-N 3.46Å; G624-K627 PolarHBondContact O-NZ 3.09Å; K627-Y634 HydrophobicContact CD-CE2 4.44Å; K627-Y634 HydrophobicContact CG-CD2 4.34Å; K627-Y634 HydrophobicContact CG-CE2 4.49Å; K627-Y634 WeakPolarHBondContact O-CA 3.19Å; K627-Y634 VanDerWaalsContact O-CB 3.32Å; K627-Y634 WeakPolarHBondContact O-CB 3.39Å; K627-Y634 WeakPolarHBondContact O-CD2 3.28Å; K627-Y634 PolarHBondContact O-N 2.78Å; K627-Y637 HydrophobicContact CB-CD1 3.81Å; K627-Y637 HydrophobicContact CB-CD2 3.86Å; K627-Y637 HydrophobicContact CB-CE1 4.44Å; K627-Y637 HydrophobicContact CB-CE2 4.49Å; K627-Y637 HydrophobicContact CB-CG 3.47Å; K627-Y637 VanDerWaalsContact CB-CG 3.47Å; K627-Y637 HydrophobicContact CD-CD1 3.37Å; K627-Y637 HydrophobicContact CD-CD2 4.48Å; K627-Y637 HydrophobicContact CD-CE1 3.37Å; K627-Y637 HydrophobicContact CD-CE2 4.49Å; K627-Y637 HydrophobicContact CD-CG 3.95Å; K627-Y637 HydrophobicContact CG-CD1 4.23Å; K627-Y637 HydrophobicContact CG-CG 4.36Å; K627-Y638 HydrophobicContact CD-CE2 4.26Å
628	T	93.3	Very high	96.1	Very high	65 Å²	65	52.9 Å²	52.9	40%	0.399	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	12	-177.3	50.4	0	0	0	0	114.6	R626 Y634	R626-T628 PolarHBondContact O-N 3.21Å; T628-Y634 HydrophobicContact CG2-CD2 4.1Å; T628-Y634 HydrophobicContact CG2-CE2 4.14Å
629	L	92.3	Very high	96.1	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.047	30%	0.297	C	S	.	.	S	Bend	trans	-68.1	-42.8	-180	-68.9	172.4	0	0	0	112.8	Q410 W586 R626 I633	Q410-L629 HydrophobicContact CB-CD2 3.86Å; Q410-L629 HydrophobicContact CG-CD2 4.45Å; Q410-L629 VanDerWaalsContact OE1-CD2 3.29Å; W586-L629 HydrophobicContact CZ3-CD1 3.9Å; R626-L629 HydrophobicContact CB-CD1 3.96Å; R626-L629 HydrophobicContact CB-CG 4.5Å; R626-L629 WeakPolarHBondContact O-CG 3.4Å; R626-L629 PolarHBondContact O-N 2.83Å; L629-I633 HydrophobicContact CB-CD1 3.95Å; L629-I633 HydrophobicContact CD1-CD1 4.39Å
630	T	93.4	Very high	96.2	Very high	8 Å²	8	59 Å²	59	5%	0.049	28%	0.282	C	S	.	.			trans	-143.5	163.5	175	71.6	0	0	0	0	110.5	F406 R411 Q414 I633 Y634	F406-T630 VanDerWaalsContact CE1-C 3.5Å; F406-T630 WeakPolarHBondContact CE1-O 3.5Å; R411-T630 HydrophobicContact CG-CG2 4.16Å; Q414-T630 HydrophobicContact CB-CG2 4.09Å; T630-I633 HydrophobicContact CG2-CD1 4.21Å; T630-I633 PolarHBondContact O-N 3.37Å; T630-I633 WeakPolarHBondContact OG1-CB 3.2Å; T630-I633 VanDerWaalsContact OG1-CG1 3.28Å; T630-I633 WeakPolarHBondContact OG1-CG1 3.44Å; T630-I633 PolarHBondContact OG1-N 3.16Å; T630-I633 VanDerWaalsContact OG1-N 3.08Å; T630-Y634 WeakPolarHBondContact O-CB 3.48Å; T630-Y634 PolarHBondContact O-N 3.05Å
631	E	94	Very high	96.2	Very high	102 Å²	102	63.5 Å²	63.5	48%	0.477	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-39.5	176	-167.5	-165.9	141.5	0	0	112.3	F406 Y634 K635	F406-E631 HydrophobicContact CE2-CB 4.09Å; F406-E631 HydrophobicContact CE2-CG 4.14Å; F406-E631 HydrophobicContact CZ-CB 4.09Å; F406-E631 HydrophobicContact CZ-CG 4.27Å; E631-Y634 WeakPolarHBondContact O-CB 3.46Å; E631-Y634 PolarHBondContact O-N 3.04Å; E631-K635 HydrophobicContact CG-CD 4.36Å; E631-K635 WeakPolarHBondContact O-CB 3.41Å; E631-K635 WeakPolarHBondContact O-CG 3.36Å; E631-K635 PolarHBondContact O-N 3.41Å; E631-K635 VanDerWaalsContact OE1-CE 3.28Å; E631-K635 WeakPolarHBondContact OE1-CE 3.5Å; E631-K635 IonicContact OE1-NZ 3.21Å; E631-K635 PolarHBondContact OE1-NZ 2.94Å
632	T	96	Very high	96.2	Very high	82 Å²	82	59.9 Å²	59.9	50%	0.503	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-47.4	173.6	-44.9	0	0	0	0	111.1	Y634 K635 N636	T632-Y634 VanDerWaalsContact C-N 3.26Å; T632-Y634 PolarHBondContact O-N 2.66Å; T632-K635 PolarHBondContact O-N 3.32Å; T632-N636 WeakPolarHBondContact O-CB 3.49Å; T632-N636 PolarHBondContact O-N 2.96Å; T632-N636 PolarHBondContact O-ND2 3.44Å
633	I	96.8	Very high	96.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-35.6	176.4	-74.1	172.6	0	0	0	111.5	Q414 L589 R626 L629 T630 Y637	Q414-I633 HydrophobicContact CB-CD1 3.94Å; L589-I633 HydrophobicContact CB-CG1 4.27Å; L589-I633 HydrophobicContact CB-CG2 4.14Å; L589-I633 HydrophobicContact CD1-CG2 4.39Å; L589-I633 HydrophobicContact CD2-CG2 4.23Å; L589-I633 HydrophobicContact CG-CG2 4.5Å; L589-I633 WeakPolarHBondContact O-CA 2.77Å; R626-I633 WeakPolarHBondContact O-CG2 3.27Å; L629-I633 HydrophobicContact CB-CD1 3.95Å; L629-I633 HydrophobicContact CD1-CD1 4.39Å; T630-I633 HydrophobicContact CG2-CD1 4.21Å; T630-I633 PolarHBondContact O-N 3.37Å; T630-I633 WeakPolarHBondContact OG1-CB 3.2Å; T630-I633 VanDerWaalsContact OG1-CG1 3.28Å; T630-I633 WeakPolarHBondContact OG1-CG1 3.44Å; T630-I633 PolarHBondContact OG1-N 3.16Å; T630-I633 VanDerWaalsContact OG1-N 3.08Å; I633-Y637 VanDerWaalsContact O-CB 3.31Å; I633-Y637 WeakPolarHBondContact O-CB 3.43Å; I633-Y637 PolarHBondContact O-N 3.27Å
634	Y	96.1	Very high	96.4	Very high	16 Å²	16	61.9 Å²	61.9	6%	0.063	29%	0.286	C	S	.	.	H	α-helix	trans	-69.1	-49.6	176.3	-166	-98	0	0	0	111.6	L401 P402 A404 F406 K627 T628 T630 E631 T632 N636 Y637 Y638	L401-Y634 HydrophobicContact CB-CE1 4.19Å; P402-Y634 WeakPolarHBondContact O-CE1 3.46Å; P402-Y634 PolarHBondContact O-OH 3.38Å; A404-Y634 HydrophobicContact CB-CD2 4.08Å; A404-Y634 HydrophobicContact CB-CE1 4.26Å; A404-Y634 HydrophobicContact CB-CE2 3.69Å; F406-Y634 HydrophobicContact CE1-CD2 4.47Å; F406-Y634 HydrophobicContact CE1-CG 4.25Å; F406-Y634 HydrophobicContact CZ-CD1 4.37Å; F406-Y634 HydrophobicContact CZ-CD2 4.49Å; F406-Y634 AromaticContact CZ-CG 4Å; F406-Y634 HydrophobicContact CZ-CG 4Å; K627-Y634 HydrophobicContact CD-CE2 4.44Å; K627-Y634 HydrophobicContact CG-CD2 4.34Å; K627-Y634 HydrophobicContact CG-CE2 4.49Å; K627-Y634 WeakPolarHBondContact O-CA 3.19Å; K627-Y634 VanDerWaalsContact O-CB 3.32Å; K627-Y634 WeakPolarHBondContact O-CB 3.39Å; K627-Y634 WeakPolarHBondContact O-CD2 3.28Å; K627-Y634 PolarHBondContact O-N 2.78Å; T628-Y634 HydrophobicContact CG2-CD2 4.1Å; T628-Y634 HydrophobicContact CG2-CE2 4.14Å; T630-Y634 WeakPolarHBondContact O-CB 3.48Å; T630-Y634 PolarHBondContact O-N 3.05Å; E631-Y634 WeakPolarHBondContact O-CB 3.46Å; E631-Y634 PolarHBondContact O-N 3.04Å; T632-Y634 VanDerWaalsContact C-N 3.26Å; T632-Y634 PolarHBondContact O-N 2.66Å; Y634-N636 PolarHBondContact O-N 2.87Å; Y634-Y637 PolarHBondContact O-N 3.26Å; Y634-Y638 HydrophobicContact CD1-CD2 4.35Å; Y634-Y638 HydrophobicContact CD1-CE2 4.33Å; Y634-Y638 HydrophobicContact CD2-CE2 4.26Å; Y634-Y638 HydrophobicContact CE1-CD2 4.12Å; Y634-Y638 AromaticContact CE1-CE2 3.81Å; Y634-Y638 HydrophobicContact CE1-CE2 3.81Å; Y634-Y638 AromaticContact CE2-CE2 3.73Å; Y634-Y638 HydrophobicContact CE2-CE2 3.73Å; Y634-Y638 AromaticContact CZ-CE2 3.46Å; Y634-Y638 VanDerWaalsContact CZ-CE2 3.46Å; Y634-Y638 WeakPolarHBondContact O-CD2 3.34Å; Y634-Y638 PolarHBondContact O-N 3.01Å
635	K	97.8	Very high	96.5	Very high	88 Å²	88	66.8 Å²	66.8	38%	0.383	30%	0.303	S	S	.	.	H	α-helix	trans	-58.1	-45.5	175.8	-76.8	170.8	168.2	171.6	0	111.5	L401 E631 T632 Y638 R639	L401-K635 HydrophobicContact CD1-CG 4.2Å; E631-K635 HydrophobicContact CG-CD 4.36Å; E631-K635 WeakPolarHBondContact O-CB 3.41Å; E631-K635 WeakPolarHBondContact O-CG 3.36Å; E631-K635 PolarHBondContact O-N 3.41Å; E631-K635 VanDerWaalsContact OE1-CE 3.28Å; E631-K635 WeakPolarHBondContact OE1-CE 3.5Å; E631-K635 IonicContact OE1-NZ 3.21Å; E631-K635 PolarHBondContact OE1-NZ 2.94Å; T632-K635 PolarHBondContact O-N 3.32Å; K635-Y638 PolarHBondContact O-N 3.38Å; K635-R639 WeakPolarHBondContact O-CB 3.34Å; K635-R639 VanDerWaalsContact O-CG 3.29Å; K635-R639 WeakPolarHBondContact O-CG 3.19Å; K635-R639 PolarHBondContact O-N 3.07Å
636	N	98.5	Very high	96.7	Very high	21 Å²	21	63.3 Å²	63.3	11%	0.112	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-45.8	177.4	-69	-10.2	0	0	0	111.5	L589 N590 G592 T632 Y634 Y638 R639 I640	L589-N636 WeakPolarHBondContact O-CB 3.42Å; L589-N636 PolarHBondContact O-ND2 3.07Å; N590-N636 VanDerWaalsContact C-ND2 3.29Å; N590-N636 PolarHBondContact O-ND2 3.12Å; G592-N636 PolarHBondContact N-ND2 3.44Å; T632-N636 WeakPolarHBondContact O-CB 3.49Å; T632-N636 PolarHBondContact O-N 2.96Å; T632-N636 PolarHBondContact O-ND2 3.44Å; Y634-N636 PolarHBondContact O-N 2.87Å; N636-Y638 PolarHBondContact O-N 3.02Å; N636-Y638 VanDerWaalsContact O-N 3.11Å; N636-R639 CarbonylContact O-C 3.36Å; N636-R639 WeakPolarHBondContact O-CA 3.48Å; N636-R639 PolarHBondContact O-N 3.28Å; N636-I640 VanDerWaalsContact O-CG1 3.31Å; N636-I640 WeakPolarHBondContact O-CG1 3.05Å; N636-I640 PolarHBondContact O-N 3.03Å
637	Y	98.4	Very high	96.9	Very high	39 Å²	39	59 Å²	59	15%	0.153	27%	0.273	C	S	.	.	H	α-helix	trans	-53.4	-37	-180	176.3	-93.7	0	0	0	114.1	L589 W620 K627 I633 Y634	L589-Y637 HydrophobicContact CD2-CD2 4.17Å; W620-Y637 AromaticContact CH2-CD2 3.79Å; W620-Y637 HydrophobicContact CH2-CD2 3.79Å; W620-Y637 AromaticContact CH2-CE2 3.54Å; W620-Y637 HydrophobicContact CH2-CE2 3.54Å; W620-Y637 HydrophobicContact CZ2-CD2 4.36Å; W620-Y637 AromaticContact CZ2-CE2 3.68Å; W620-Y637 HydrophobicContact CZ2-CE2 3.68Å; W620-Y637 AromaticContact CZ2-CZ 3.87Å; W620-Y637 HydrophobicContact CZ3-CD2 4.32Å; W620-Y637 HydrophobicContact CZ3-CE2 4.16Å; K627-Y637 HydrophobicContact CB-CD1 3.81Å; K627-Y637 HydrophobicContact CB-CD2 3.86Å; K627-Y637 HydrophobicContact CB-CE1 4.44Å; K627-Y637 HydrophobicContact CB-CE2 4.49Å; K627-Y637 HydrophobicContact CB-CG 3.47Å; K627-Y637 VanDerWaalsContact CB-CG 3.47Å; K627-Y637 HydrophobicContact CD-CD1 3.37Å; K627-Y637 HydrophobicContact CD-CD2 4.48Å; K627-Y637 HydrophobicContact CD-CE1 3.37Å; K627-Y637 HydrophobicContact CD-CE2 4.49Å; K627-Y637 HydrophobicContact CD-CG 3.95Å; K627-Y637 HydrophobicContact CG-CD1 4.23Å; K627-Y637 HydrophobicContact CG-CG 4.36Å; I633-Y637 VanDerWaalsContact O-CB 3.31Å; I633-Y637 WeakPolarHBondContact O-CB 3.43Å; I633-Y637 PolarHBondContact O-N 3.27Å; Y634-Y637 PolarHBondContact O-N 3.26Å
638	Y	98.1	Very high	97.1	Very high	105 Å²	105	57.6 Å²	57.6	41%	0.412	27%	0.269	S	S	.	.	H	α-helix	trans	-86.9	-12.9	176.3	-72	-81.8	0	0	0	114.2	L401 K627 Y634 K635 N636	L401-Y638 HydrophobicContact CD2-CD1 4.31Å; L401-Y638 HydrophobicContact CD2-CD2 3.99Å; L401-Y638 HydrophobicContact CD2-CG 3.72Å; K627-Y638 HydrophobicContact CD-CE2 4.26Å; Y634-Y638 HydrophobicContact CD1-CD2 4.35Å; Y634-Y638 HydrophobicContact CD1-CE2 4.33Å; Y634-Y638 HydrophobicContact CD2-CE2 4.26Å; Y634-Y638 HydrophobicContact CE1-CD2 4.12Å; Y634-Y638 AromaticContact CE1-CE2 3.81Å; Y634-Y638 HydrophobicContact CE1-CE2 3.81Å; Y634-Y638 AromaticContact CE2-CE2 3.73Å; Y634-Y638 HydrophobicContact CE2-CE2 3.73Å; Y634-Y638 AromaticContact CZ-CE2 3.46Å; Y634-Y638 VanDerWaalsContact CZ-CE2 3.46Å; Y634-Y638 WeakPolarHBondContact O-CD2 3.34Å; Y634-Y638 PolarHBondContact O-N 3.01Å; K635-Y638 PolarHBondContact O-N 3.38Å; N636-Y638 PolarHBondContact O-N 3.02Å; N636-Y638 VanDerWaalsContact O-N 3.11Å
639	R	98.5	Very high	97.4	Very high	178 Å²	178	58.7 Å²	58.7	67%	0.672	28%	0.28	S	S	*	.	H	α-helix	trans	-92.3	-22	174.7	-74.9	174.2	172.1	-165.1	-6.5	113.6	K635 N636 Q641	K635-R639 WeakPolarHBondContact O-CB 3.34Å; K635-R639 VanDerWaalsContact O-CG 3.29Å; K635-R639 WeakPolarHBondContact O-CG 3.19Å; K635-R639 PolarHBondContact O-N 3.07Å; N636-R639 CarbonylContact O-C 3.36Å; N636-R639 WeakPolarHBondContact O-CA 3.48Å; N636-R639 PolarHBondContact O-N 3.28Å; R639-Q641 WeakPolarHBondContact O-CG 3.43Å; R639-Q641 PolarHBondContact O-N 3.46Å
640	I	98.7	Very high	97.7	Very high	7 Å²	7	60 Å²	60	4%	0.036	28%	0.284	C	S	.	.			trans	-57.6	123	-176	-77	163.8	0	0	0	110.9	H588 L589 D593 W620 Y623 N636 K643	H588-I640 VanDerWaalsContact NE2-CG2 3.33Å; H588-I640 WeakPolarHBondContact NE2-CG2 3.31Å; L589-I640 HydrophobicContact CD2-CD1 4.32Å; D593-I640 WeakPolarHBondContact OD1-CA 3.2Å; D593-I640 WeakPolarHBondContact OD1-CB 3.37Å; D593-I640 WeakPolarHBondContact OD1-CG1 3.09Å; W620-I640 HydrophobicContact CH2-CB 4.25Å; W620-I640 HydrophobicContact CH2-CG2 4.11Å; W620-I640 HydrophobicContact CZ3-CB 4.28Å; W620-I640 HydrophobicContact CZ3-CD1 4.16Å; W620-I640 HydrophobicContact CZ3-CG2 3.79Å; Y623-I640 HydrophobicContact CD1-CD1 4.46Å; Y623-I640 HydrophobicContact CE1-CD1 4.41Å; N636-I640 VanDerWaalsContact O-CG1 3.31Å; N636-I640 WeakPolarHBondContact O-CG1 3.05Å; N636-I640 PolarHBondContact O-N 3.03Å; I640-K643 HydrophobicContact CG2-CD 4.16Å; I640-K643 PolarHBondContact O-NZ 3.32Å
641	Q	98.6	Very high	97.9	Very high	157 Å²	157	59.7 Å²	59.7	73%	0.734	28%	0.282	S	S	*	.			trans	-104.2	-53.9	175.7	-55.2	-171.2	22.7	0	0	110.1	D593 R639 K643 Q646	D593-Q641 PolarHBondContact OD1-N 3.22Å; D593-Q641 WeakPolarHBondContact OD2-CA 3.43Å; D593-Q641 PolarHBondContact OD2-N 2.85Å; R639-Q641 WeakPolarHBondContact O-CG 3.43Å; R639-Q641 PolarHBondContact O-N 3.46Å; Q641-K643 WeakPolarHBondContact O-CD 3.29Å; Q641-K643 WeakPolarHBondContact O-CE 3.43Å; Q641-K643 WeakPolarHBondContact O-CG 3.43Å; Q641-K643 PolarHBondContact O-N 2.71Å; Q641-Q646 PolarHBondContact O-OE1 3.24Å
642	L	98.6	Very high	98.2	Very high	20 Å²	20	57.4 Å²	57.4	11%	0.105	28%	0.275	C	S	.	.	S	Bend	trans	-64.5	100.5	-179.7	178.2	64.3	0	0	0	111.3	H588 D593 L596 K597 Q646 F647 Y650	H588-L642 PolarHBondContact NE2-O 3.28Å; D593-L642 PolarHBondContact OD2-N 3.38Å; L596-L642 HydrophobicContact CD2-CD2 4.39Å; K597-L642 HydrophobicContact CG-CD2 4.46Å; L642-Q646 HydrophobicContact CD1-CB 3.9Å; L642-F647 HydrophobicContact CD2-CD1 4.47Å; L642-F647 HydrophobicContact CG-CD1 4.1Å; L642-F647 HydrophobicContact CG-CE1 4.2Å; L642-Y650 HydrophobicContact CD1-CG 4.26Å; L642-Y650 HydrophobicContact CD2-CD1 3.92Å; L642-Y650 HydrophobicContact CD2-CE1 4.46Å; L642-Y650 HydrophobicContact CD2-CG 4.04Å
643	K	98.6	Very high	98.3	Very high	54 Å²	54	54.4 Å²	54.4	24%	0.235	26%	0.257	C	S	.	.			trans	-81.9	156.3	-178.4	-53.6	-49.5	-177.8	-173.7	0	112.3	W620 I640 Q641 E645 Q646 F647	W620-K643 HydrophobicContact CD2-CD 4.19Å; W620-K643 HydrophobicContact CE3-CD 4.21Å; W620-K643 HydrophobicContact CZ3-CD 4.43Å; I640-K643 HydrophobicContact CG2-CD 4.16Å; I640-K643 PolarHBondContact O-NZ 3.32Å; Q641-K643 WeakPolarHBondContact O-CD 3.29Å; Q641-K643 WeakPolarHBondContact O-CE 3.43Å; Q641-K643 WeakPolarHBondContact O-CG 3.43Å; Q641-K643 PolarHBondContact O-N 2.71Å; K643-E645 WeakPolarHBondContact CB-OE2 3.24Å; K643-E645 PolarHBondContact O-N 2.92Å; K643-E645 VanDerWaalsContact O-N 3.1Å; K643-Q646 WeakPolarHBondContact O-CA 3.36Å; K643-Q646 WeakPolarHBondContact O-CB 3.16Å; K643-Q646 PolarHBondContact O-N 3.01Å; K643-F647 WeakPolarHBondContact O-CD1 3.42Å; K643-F647 WeakPolarHBondContact O-CE1 3.23Å; K643-F647 PolarHBondContact O-N 3.06Å
644	P	98.5	Very high	98.4	Very high	14 Å²	14	60.3 Å²	60.3	9%	0.091	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-48.3	-36	172.8	-30	36.5	0	0	0	114.7	Q618 W620 Y623 Q646 F647	Q618-P644 WeakPolarHBondContact O-CG 3.41Å; W620-P644 HydrophobicContact CB-CG 4.41Å; Y623-P644 HydrophobicContact CE2-CG 3.78Å; P644-Q646 PolarHBondContact O-N 2.96Å; P644-F647 HydrophobicContact CB-CD2 4.3Å; P644-F647 HydrophobicContact CB-CE2 3.97Å; P644-F647 HydrophobicContact CB-CZ 4.1Å; P644-F647 HydrophobicContact CG-CE1 4.46Å; P644-F647 HydrophobicContact CG-CE2 4.18Å; P644-F647 HydrophobicContact CG-CZ 3.92Å; P644-F647 WeakPolarHBondContact O-CB 3.42Å; P644-F647 WeakPolarHBondContact O-CG 3.36Å; P644-F647 PolarHBondContact O-N 2.85Å
645	E	97.8	Very high	98.4	Very high	127 Å²	127	64.1 Å²	64.1	59%	0.593	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-69.8	-14	179.5	-59.7	73.1	-160	0	0	112.6	W620 K643	W620-E645 PolarHBondContact N-OE1 3.05Å; K643-E645 WeakPolarHBondContact CB-OE2 3.24Å; K643-E645 PolarHBondContact O-N 2.92Å; K643-E645 VanDerWaalsContact O-N 3.1Å
646	Q	98.5	Very high	98.5	Very high	98 Å²	98	59.9 Å²	59.9	46%	0.458	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-103.7	-6	174.8	-60.3	170.9	-79.7	0	0	113.1	Q641 L642 K643 P644 S648 S649 Y650	Q641-Q646 PolarHBondContact O-OE1 3.24Å; L642-Q646 HydrophobicContact CD1-CB 3.9Å; K643-Q646 WeakPolarHBondContact O-CA 3.36Å; K643-Q646 WeakPolarHBondContact O-CB 3.16Å; K643-Q646 PolarHBondContact O-N 3.01Å; P644-Q646 PolarHBondContact O-N 2.96Å; Q646-S648 VanDerWaalsContact C-N 3.3Å; Q646-S648 PolarHBondContact O-N 3.11Å; Q646-S649 PolarHBondContact O-N 2.78Å; Q646-Y650 PolarHBondContact O-N 3.04Å
647	F	98.8	Very high	98.4	Very high	2 Å²	2	60 Å²	60	1%	0.009	31%	0.305	C	S	.	.	H	α-helix	trans	-58.1	-39.2	-173.2	-71.7	-5.6	0	0	0	112.7	T584 H588 L596 F600 P617 L642 K643 P644 Y650 L651	T584-F647 HydrophobicContact CG2-CD2 4.45Å; T584-F647 HydrophobicContact CG2-CE2 4.01Å; H588-F647 AromaticContact CE1-CZ 3.56Å; H588-F647 AromaticContact ND1-CZ 3.92Å; H588-F647 AromaticContact NE2-CE1 3.59Å; H588-F647 AromaticContact NE2-CZ 3.78Å; L596-F647 HydrophobicContact CD2-CD1 4.22Å; L596-F647 HydrophobicContact CD2-CE1 3.36Å; L596-F647 HydrophobicContact CD2-CE2 4.31Å; L596-F647 HydrophobicContact CD2-CZ 3.42Å; L596-F647 VanDerWaalsContact CD2-CZ 3.42Å; F600-F647 HydrophobicContact CE2-CD1 4.22Å; F600-F647 HydrophobicContact CE2-CD2 4.45Å; F600-F647 HydrophobicContact CE2-CG 4.17Å; F600-F647 HydrophobicContact CZ-CB 4.47Å; F600-F647 HydrophobicContact CZ-CD1 4.48Å; F600-F647 AromaticContact CZ-CD2 3.92Å; F600-F647 HydrophobicContact CZ-CD2 3.92Å; F600-F647 HydrophobicContact CZ-CE2 4.25Å; F600-F647 HydrophobicContact CZ-CG 4.05Å; P617-F647 HydrophobicContact CB-CD2 4Å; P617-F647 HydrophobicContact CB-CE2 4.14Å; L642-F647 HydrophobicContact CD2-CD1 4.47Å; L642-F647 HydrophobicContact CG-CD1 4.1Å; L642-F647 HydrophobicContact CG-CE1 4.2Å; K643-F647 WeakPolarHBondContact O-CD1 3.42Å; K643-F647 WeakPolarHBondContact O-CE1 3.23Å; K643-F647 PolarHBondContact O-N 3.06Å; P644-F647 HydrophobicContact CB-CD2 4.3Å; P644-F647 HydrophobicContact CB-CE2 3.97Å; P644-F647 HydrophobicContact CB-CZ 4.1Å; P644-F647 HydrophobicContact CG-CE1 4.46Å; P644-F647 HydrophobicContact CG-CE2 4.18Å; P644-F647 HydrophobicContact CG-CZ 3.92Å; P644-F647 WeakPolarHBondContact O-CB 3.42Å; P644-F647 WeakPolarHBondContact O-CG 3.36Å; P644-F647 PolarHBondContact O-N 2.85Å; F647-Y650 PolarHBondContact O-N 2.96Å; F647-L651 WeakPolarHBondContact O-CB 3.43Å; F647-L651 WeakPolarHBondContact O-CD1 3.48Å; F647-L651 VanDerWaalsContact O-CG 3.3Å; F647-L651 WeakPolarHBondContact O-CG 3.48Å; F647-L651 PolarHBondContact O-N 2.95Å
648	S	98.5	Very high	98.4	Very high	17 Å²	17	58.4 Å²	58.4	12%	0.119	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-45.4	179.8	-50	0	0	0	0	112.4	Q646 Y650 L651 T652 Y661	Q646-S648 VanDerWaalsContact C-N 3.3Å; Q646-S648 PolarHBondContact O-N 3.11Å; S648-Y650 PolarHBondContact O-N 2.8Å; S648-L651 PolarHBondContact O-N 3.26Å; S648-T652 PolarHBondContact O-N 2.8Å; S648-T652 PolarHBondContact O-OG1 3.33Å; S648-Y661 VanDerWaalsContact CB-CZ 3.49Å
649	S	98.5	Very high	98.4	Very high	89 Å²	89	57 Å²	57	62%	0.622	30%	0.304	S	S	*	.	H	α-helix	trans	-64.8	-26.7	178.1	-176.5	0	0	0	0	113.3	Q646 S653	Q646-S649 PolarHBondContact O-N 2.78Å; S649-S653 PolarHBondContact O-N 3.46Å
650	Y	98.8	Very high	98.4	Very high	37 Å²	37	51.2 Å²	51.2	15%	0.145	29%	0.292	C	S	.	.	H	α-helix	trans	-83.7	-36.8	175	-178.4	-103.7	0	0	0	112.2	K597 F600 L642 Q646 F647 S648 T652 S653 D655 V656	K597-Y650 HydrophobicContact CB-CE1 4.11Å; K597-Y650 WeakPolarHBondContact CB-OH 3.31Å; K597-Y650 HydrophobicContact CG-CE1 3.82Å; K597-Y650 HydrophobicContact CG-CE2 4.46Å; K597-Y650 WeakPolarHBondContact CG-OH 3.3Å; F600-Y650 HydrophobicContact CD2-CD1 4.01Å; F600-Y650 HydrophobicContact CD2-CE1 4.2Å; L642-Y650 HydrophobicContact CD1-CG 4.26Å; L642-Y650 HydrophobicContact CD2-CD1 3.92Å; L642-Y650 HydrophobicContact CD2-CE1 4.46Å; L642-Y650 HydrophobicContact CD2-CG 4.04Å; Q646-Y650 PolarHBondContact O-N 3.04Å; F647-Y650 PolarHBondContact O-N 2.96Å; S648-Y650 PolarHBondContact O-N 2.8Å; Y650-T652 VanDerWaalsContact C-N 3.28Å; Y650-T652 PolarHBondContact O-N 3.49Å; Y650-S653 PolarHBondContact O-N 3.04Å; Y650-S653 VanDerWaalsContact O-N 3.15Å; Y650-S653 PolarHBondContact O-OG 3.36Å; Y650-D655 HydrophobicContact CE2-CB 3.64Å; Y650-D655 WeakPolarHBondContact CE2-OD2 3.44Å; Y650-V656 HydrophobicContact CD1-CG2 3.98Å; Y650-V656 HydrophobicContact CE1-CG2 3.49Å; Y650-V656 VanDerWaalsContact CE1-CG2 3.49Å; Y650-V656 WeakPolarHBondContact O-CG2 3.42Å
651	L	98.8	Very high	98.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-33.6	174.9	-76	163.3	0	0	0	112	F600 L613 L615 F647 S648 V656 F658 F681	F600-L651 HydrophobicContact CB-CD2 3.75Å; F600-L651 HydrophobicContact CD1-CD2 3.71Å; F600-L651 HydrophobicContact CD2-CD2 4.19Å; F600-L651 HydrophobicContact CD2-CG 4.48Å; F600-L651 HydrophobicContact CE1-CD1 4.4Å; F600-L651 HydrophobicContact CE1-CD2 4.29Å; F600-L651 HydrophobicContact CG-CD2 3.65Å; F600-L651 HydrophobicContact CG-CG 4.4Å; F600-L651 HydrophobicContact CZ-CD1 4.5Å; L613-L651 HydrophobicContact CD2-CD1 4.49Å; L613-L651 HydrophobicContact CD2-CD2 3.99Å; L615-L651 HydrophobicContact CD2-CD1 3.64Å; F647-L651 WeakPolarHBondContact O-CB 3.43Å; F647-L651 WeakPolarHBondContact O-CD1 3.48Å; F647-L651 VanDerWaalsContact O-CG 3.3Å; F647-L651 WeakPolarHBondContact O-CG 3.48Å; F647-L651 PolarHBondContact O-N 2.95Å; S648-L651 PolarHBondContact O-N 3.26Å; L651-V656 HydrophobicContact CD2-CG1 4.17Å; L651-V656 WeakPolarHBondContact O-CB 3.38Å; L651-F658 HydrophobicContact CB-CD2 4.13Å; L651-F658 HydrophobicContact CD2-CD2 3.91Å; L651-F658 HydrophobicContact CD2-CE2 3.79Å; L651-F658 WeakPolarHBondContact O-CB 3.36Å; L651-F658 WeakPolarHBondContact O-CD2 3.36Å; L651-F658 PolarHBondContact O-N 3.29Å; L651-F681 HydrophobicContact CB-CD1 3.67Å; L651-F681 HydrophobicContact CB-CE1 3.45Å; L651-F681 VanDerWaalsContact CB-CE1 3.45Å; L651-F681 HydrophobicContact CB-CZ 4.19Å; L651-F681 HydrophobicContact CD1-CD1 4.02Å; L651-F681 HydrophobicContact CD1-CD2 4.14Å; L651-F681 HydrophobicContact CD1-CE1 3.61Å; L651-F681 HydrophobicContact CD1-CE2 3.7Å; L651-F681 HydrophobicContact CD1-CG 4.3Å; L651-F681 HydrophobicContact CD1-CZ 3.43Å; L651-F681 VanDerWaalsContact CD1-CZ 3.43Å; L651-F681 HydrophobicContact CG-CD1 4.41Å; L651-F681 HydrophobicContact CG-CE1 4.15Å; L651-F681 HydrophobicContact CG-CZ 4.44Å
652	T	98.6	Very high	98.4	Very high	54 Å²	54	52.9 Å²	52.9	33%	0.331	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	11.6	172.7	66	0	0	0	0	114.2	S648 Y650 F658 Y661 F681	S648-T652 PolarHBondContact O-N 2.8Å; S648-T652 PolarHBondContact O-OG1 3.33Å; Y650-T652 VanDerWaalsContact C-N 3.28Å; Y650-T652 PolarHBondContact O-N 3.49Å; T652-F658 WeakPolarHBondContact CA-O 3.46Å; T652-F658 HydrophobicContact CG2-CB 4.45Å; T652-Y661 HydrophobicContact CG2-CD1 3.84Å; T652-F681 HydrophobicContact CG2-CD1 4.48Å; T652-F681 HydrophobicContact CG2-CE1 4.43Å
653	S	98.6	Very high	98.4	Very high	19 Å²	19	56.6 Å²	56.6	13%	0.133	32%	0.315	C	S	.	.	S	Bend	trans	-81	162.1	169.3	83.6	0	0	0	0	110.5	S649 Y650 D655 V656 G657	S649-S653 PolarHBondContact O-N 3.46Å; Y650-S653 PolarHBondContact O-N 3.04Å; Y650-S653 VanDerWaalsContact O-N 3.15Å; Y650-S653 PolarHBondContact O-OG 3.36Å; S653-D655 WeakPolarHBondContact CB-OD2 3.25Å; S653-D655 PolarHBondContact O-N 2.82Å; S653-D655 VanDerWaalsContact O-N 3.14Å; S653-D655 VanDerWaalsContact OG-CB 3.3Å; S653-D655 WeakPolarHBondContact OG-CB 3.5Å; S653-D655 VanDerWaalsContact OG-CG 3.3Å; S653-D655 PolarHBondContact OG-N 3.39Å; S653-D655 PolarHBondContact OG-OD2 3.19Å; S653-V656 PolarHBondContact O-N 2.81Å; S653-V656 VanDerWaalsContact O-N 3.12Å; S653-G657 PolarHBondContact O-N 2.76Å
654	P	98.2	Very high	98.4	Very high	125 Å²	125	55.7 Å²	55.7	81%	0.812	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-21.3	171.8	-25.4	35.8	0	0	0	114.4	V656	P654-V656 PolarHBondContact O-N 3.15Å
655	D	97.7	Very high	98.3	Very high	95 Å²	95	56.7 Å²	56.7	51%	0.508	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.7	176.5	-49.1	-71.3	0	0	0	111.9	R601 Y650 S653	R601-D655 WeakPolarHBondContact CD-O 3.2Å; R601-D655 PolarHBondContact NH1-O 2.81Å; Y650-D655 HydrophobicContact CE2-CB 3.64Å; Y650-D655 WeakPolarHBondContact CE2-OD2 3.44Å; S653-D655 WeakPolarHBondContact CB-OD2 3.25Å; S653-D655 PolarHBondContact O-N 2.82Å; S653-D655 VanDerWaalsContact O-N 3.14Å; S653-D655 VanDerWaalsContact OG-CB 3.3Å; S653-D655 WeakPolarHBondContact OG-CB 3.5Å; S653-D655 VanDerWaalsContact OG-CG 3.3Å; S653-D655 PolarHBondContact OG-N 3.39Å; S653-D655 PolarHBondContact OG-OD2 3.19Å
656	V	98.4	Very high	98.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-60.6	178.3	-176.9	0	0	0	0	110.8	F600 R601 Y604 Y650 L651 S653 P654 F658	F600-V656 HydrophobicContact CB-CG2 4.22Å; R601-V656 PolarHBondContact NH1-O 2.75Å; R601-V656 VanDerWaalsContact NH1-O 3.16Å; Y604-V656 WeakPolarHBondContact CD1-O 3.34Å; Y604-V656 HydrophobicContact CD2-CG1 4.44Å; Y604-V656 WeakPolarHBondContact CE1-O 3.38Å; Y604-V656 HydrophobicContact CG-CG1 4.18Å; Y604-V656 VanDerWaalsContact CG-O 3.23Å; Y650-V656 HydrophobicContact CD1-CG2 3.98Å; Y650-V656 HydrophobicContact CE1-CG2 3.49Å; Y650-V656 VanDerWaalsContact CE1-CG2 3.49Å; Y650-V656 WeakPolarHBondContact O-CG2 3.42Å; L651-V656 HydrophobicContact CD2-CG1 4.17Å; L651-V656 WeakPolarHBondContact O-CB 3.38Å; S653-V656 PolarHBondContact O-N 2.81Å; S653-V656 VanDerWaalsContact O-N 3.12Å; P654-V656 PolarHBondContact O-N 3.15Å; V656-F658 HydrophobicContact CG1-CD2 3.57Å; V656-F658 HydrophobicContact CG1-CE2 3.65Å
657	G	97.9	Very high	98.1	Very high	24 Å²	24	50.1 Å²	50.1	25%	0.247	30%	0.299	C	S	.	.			trans	105.8	15.5	171.4	0	0	0	0	0	117.5	Y604 S653 S659	Y604-G657 WeakPolarHBondContact CE2-O 3.31Å; Y604-G657 VanDerWaalsContact CZ-O 3.23Å; Y604-G657 PolarHBondContact OH-O 3.38Å; S653-G657 PolarHBondContact O-N 2.76Å; G657-S659 PolarHBondContact O-N 3.29Å
658	F	98.6	Very high	97.9	Very high	4 Å²	4	57 Å²	57	2%	0.018	33%	0.331	C	S	.	.			trans	-66.4	132.8	172.2	-72.4	-82.3	0	0	0	110.5	I603 Y604 L607 L613 L651 T652 V656 F681 K683	I603-F658 HydrophobicContact CG2-CZ 4.27Å; Y604-F658 AromaticContact CD2-CD1 3.96Å; Y604-F658 HydrophobicContact CD2-CD1 3.96Å; Y604-F658 AromaticContact CD2-CD2 3.87Å; Y604-F658 HydrophobicContact CD2-CD2 3.87Å; Y604-F658 AromaticContact CD2-CE1 3.99Å; Y604-F658 HydrophobicContact CD2-CE1 3.99Å; Y604-F658 AromaticContact CD2-CE2 3.89Å; Y604-F658 HydrophobicContact CD2-CE2 3.89Å; Y604-F658 AromaticContact CD2-CG 3.91Å; Y604-F658 HydrophobicContact CD2-CG 3.91Å; Y604-F658 AromaticContact CD2-CZ 3.95Å; Y604-F658 HydrophobicContact CD2-CZ 3.95Å; Y604-F658 HydrophobicContact CE2-CD1 4.4Å; Y604-F658 HydrophobicContact CE2-CG 4.38Å; Y604-F658 HydrophobicContact CG-CE2 4.38Å; L607-F658 HydrophobicContact CD1-CE1 3.66Å; L607-F658 HydrophobicContact CD1-CZ 3.85Å; L613-F658 HydrophobicContact CB-CE1 3.84Å; L613-F658 HydrophobicContact CB-CZ 3.66Å; L613-F658 HydrophobicContact CD2-CE1 4.49Å; L613-F658 HydrophobicContact CD2-CE2 3.79Å; L613-F658 HydrophobicContact CD2-CZ 3.67Å; L613-F658 HydrophobicContact CG-CZ 4.32Å; L651-F658 HydrophobicContact CB-CD2 4.13Å; L651-F658 HydrophobicContact CD2-CD2 3.91Å; L651-F658 HydrophobicContact CD2-CE2 3.79Å; L651-F658 WeakPolarHBondContact O-CB 3.36Å; L651-F658 WeakPolarHBondContact O-CD2 3.36Å; L651-F658 PolarHBondContact O-N 3.29Å; T652-F658 WeakPolarHBondContact CA-O 3.46Å; T652-F658 HydrophobicContact CG2-CB 4.45Å; V656-F658 HydrophobicContact CG1-CD2 3.57Å; V656-F658 HydrophobicContact CG1-CE2 3.65Å; F658-F681 HydrophobicContact CB-CB 4.4Å; F658-F681 HydrophobicContact CB-CD1 4.29Å; F658-F681 HydrophobicContact CD1-CB 3.73Å; F658-F681 HydrophobicContact CD2-CB 4.45Å; F658-F681 HydrophobicContact CE1-CB 4.04Å; F658-F681 HydrophobicContact CG-CB 3.96Å; F658-F681 HydrophobicContact CG-CD1 4.42Å; F658-K683 HydrophobicContact CD1-CB 4.46Å
659	S	98.1	Very high	97.7	Very high	75 Å²	75	56.8 Å²	56.8	52%	0.524	33%	0.328	S	S	.	.			trans	-82	-25.4	-171.6	50.2	0	0	0	0	113.8	G657 H682 A684	G657-S659 PolarHBondContact O-N 3.29Å; S659-H682 PolarHBondContact N-O 3.26Å; S659-H682 PolarHBondContact OG-O 2.91Å; S659-H682 VanDerWaalsContact OG-O 3.12Å; S659-A684 PolarHBondContact OG-N 3.27Å
660	S	98.3	Very high	97.2	Very high	58 Å²	58	57.6 Å²	57.6	41%	0.406	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	164.7	176.8	60.5	0	0	0	0	111.2	H682	S660-H682 PolarHBondContact O-N 3.13Å
661	Y	98.6	Very high	96.7	Very high	113 Å²	113	58.5 Å²	58.5	44%	0.443	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	158.2	171.9	79.9	-82.2	0	0	0	111.7	S648 T652 Y679 L680 F681	S648-Y661 VanDerWaalsContact CB-CZ 3.49Å; T652-Y661 HydrophobicContact CG2-CD1 3.84Å; Y661-Y679 HydrophobicContact CD2-CD1 4.24Å; Y661-Y679 HydrophobicContact CE2-CD1 4.44Å; Y661-L680 CarbonylContact C-O 3.53Å; Y661-L680 WeakPolarHBondContact CA-O 3.45Å; Y661-L680 WeakPolarHBondContact CB-O 3.39Å; Y661-F681 HydrophobicContact CD1-CE1 4.12Å; Y661-F681 HydrophobicContact CD2-CE1 4.22Å; Y661-F681 HydrophobicContact CD2-CZ 4.07Å; Y661-F681 HydrophobicContact CG-CD1 4.16Å; Y661-F681 AromaticContact CG-CE1 3.64Å; Y661-F681 HydrophobicContact CG-CE1 3.64Å; Y661-F681 AromaticContact CG-CZ 3.97Å; Y661-F681 HydrophobicContact CG-CZ 3.97Å
662	E	98.3	Very high	96.3	Very high	85 Å²	85	67 Å²	67	40%	0.397	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	154	176.8	61.1	-172.6	116.2	0	0	111.1	Y679 L680 H682	E662-Y679 VanDerWaalsContact O-CA 3.24Å; E662-Y679 WeakPolarHBondContact O-CA 3.4Å; E662-L680 HydrophobicContact CG-CB 3.79Å; E662-L680 PolarHBondContact N-O 3.33Å; E662-L680 PolarHBondContact O-N 3.16Å; E662-H682 IonicContact OE1-CD2 2.69Å; E662-H682 IonicContact OE1-CE1 2.75Å; E662-H682 IonicContact OE1-NE2 3.53Å; E662-H682 PolarHBondContact OE1-NE2 3.02Å
663	L	98.3	Very high	95.8	Very high	98 Å²	98	66.6 Å²	66.6	51%	0.513	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	114.6	167.2	171.8	61.1	0	0	0	108.1	P677 Y679	L663-P677 HydrophobicContact CD1-CB 3.47Å; L663-P677 VanDerWaalsContact CD1-CB 3.47Å; L663-Y679 HydrophobicContact CB-CD1 4.04Å; L663-Y679 HydrophobicContact CB-CE1 3.99Å; L663-Y679 HydrophobicContact CD1-CD1 4.06Å; L663-Y679 HydrophobicContact CD1-CE1 3.83Å; L663-Y679 HydrophobicContact CG-CE1 4.41Å
664	V	97.9	Very high	95.5	Very high	36 Å²	36	67.1 Å²	67.1	22%	0.218	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-60.4	-177.7	-174.8	0	0	0	0	110.1	V436 W441 V678 L680	V436-V664 HydrophobicContact CG1-CB 4.33Å; V436-V664 HydrophobicContact CG1-CG1 3.81Å; W441-V664 HydrophobicContact CH2-CB 4.45Å; W441-V664 HydrophobicContact CH2-CG1 3.81Å; W441-V664 HydrophobicContact CH2-CG2 3.84Å; W441-V664 HydrophobicContact CZ2-CG1 4.38Å; W441-V664 HydrophobicContact CZ2-CG2 4.45Å; V664-V678 HydrophobicContact CB-CG1 4.49Å; V664-V678 WeakPolarHBondContact CB-O 3.47Å; V664-V678 HydrophobicContact CG2-CG1 4.45Å; V664-V678 PolarHBondContact N-O 3.18Å; V664-L680 HydrophobicContact CG2-CB 3.86Å
665	A	97.1	Very high	95.4	Very high	35 Å²	35	64.3 Å²	64.3	29%	0.289	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	179.6	174.1	0	0	0	0	0	110.5	V436 V678	V436-A665 HydrophobicContact CB-CB 4.48Å; V436-A665 HydrophobicContact CG1-CB 3.73Å; V436-A665 HydrophobicContact CG2-CB 3.9Å; A665-V678 PolarHBondContact O-N 3.2Å
666	T	97.6	Very high	95.4	Very high	79 Å²	79	60.7 Å²	60.7	49%	0.485	34%	0.34	S	S	.	.			trans	-110.4	106.9	161.7	-67.7	0	0	0	0	108.4	Q675	T666-Q675 HydrophobicContact CG2-CB 4.14Å
667	P	94.5	Very high	95.4	Very high	8 Å²	8	62.2 Å²	62.2	5%	0.052	35%	0.35	C	S	.	.			trans	-62.9	141.1	-177.8	-19.4	30.8	0	0	0	112.3	R433 V436 R676 V678	R433-P667 HydrophobicContact CG-CB 4.35Å; R433-P667 HydrophobicContact CG-CG 4.05Å; V436-P667 HydrophobicContact CB-CG 4.01Å; V436-P667 HydrophobicContact CG1-CG 4.17Å; V436-P667 HydrophobicContact CG2-CB 3.98Å; V436-P667 HydrophobicContact CG2-CG 3.82Å; P667-R676 WeakPolarHBondContact CD-O 3.23Å; P667-V678 HydrophobicContact CG-CG2 3.72Å
668	H	93.9	Very high	95.4	Very high	147 Å²	147	61.1 Å²	61.1	68%	0.681	34%	0.339	S	S	*	.			trans	-66.8	145.4	173.1	-172.7	87.6	0	0	0	111.2
669	N	94	Very high	95.4	Very high	11 Å²	11	63.5 Å²	63.5	6%	0.059	35%	0.348	C	S	.	.			trans	-156.3	147.2	170.9	-173	-92	0	0	0	110.5	R425 S671 F674 Q675	R425-N669 PolarHBondContact O-ND2 2.85Å; R425-N669 PolarHBondContact O-OD1 2.97Å; N669-S671 CarbonylContact O-C 3.48Å; N669-S671 PolarHBondContact O-N 2.9Å; N669-S671 VanDerWaalsContact O-N 3.08Å; N669-S671 PolarHBondContact OD1-N 3.2Å; N669-S671 PolarHBondContact OD1-O 3.13Å; N669-F674 HydrophobicContact CB-CB 3.95Å; N669-F674 WeakPolarHBondContact OD1-CB 3.48Å; N669-Q675 HydrophobicContact CB-CG 4.16Å; N669-Q675 PolarHBondContact O-NE2 2.86Å
670	T	89	Confident	95.4	Very high	107 Å²	107	60.1 Å²	60.1	66%	0.656	32%	0.324	S	S	*	.	S	Bend	trans	-52.3	-31.8	178.1	-35.4	0	0	0	0	113.2
671	S	88.8	Confident	95.5	Very high	56 Å²	56	57.3 Å²	57.3	39%	0.392	30%	0.304	S	S	.	.	S	Bend	trans	-102.6	124.9	169.4	-165.2	0	0	0	0	111.8	N669 G673 F674 Q675	N669-S671 CarbonylContact O-C 3.48Å; N669-S671 PolarHBondContact O-N 2.9Å; N669-S671 VanDerWaalsContact O-N 3.08Å; N669-S671 PolarHBondContact OD1-N 3.2Å; N669-S671 PolarHBondContact OD1-O 3.13Å; S671-G673 PolarHBondContact O-N 3.03Å; S671-G673 PolarHBondContact OG-N 2.99Å; S671-F674 PolarHBondContact O-N 2.91Å; S671-Q675 PolarHBondContact O-N 3.05Å
672	K	89	Confident	95.5	Very high	177 Å²	177	54.5 Å²	54.5	77%	0.77	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-17.2	167.4	-61.3	-168.5	178.3	-170.2	0	113.5	F674	K672-F674 VanDerWaalsContact C-N 3.35Å
673	G	88.9	Confident	95.5	Very high	47 Å²	47	51.9 Å²	51.9	49%	0.485	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-13.4	173.3	0	0	0	0	0	115.9	S671 R676	S671-G673 PolarHBondContact O-N 3.03Å; S671-G673 PolarHBondContact OG-N 2.99Å; G673-R676 VanDerWaalsContact O-CZ 3.3Å; G673-R676 PolarHBondContact O-NE 3.15Å; G673-R676 VanDerWaalsContact O-NE 3.15Å; G673-R676 PolarHBondContact O-NH2 3Å
674	F	93.1	Very high	95.4	Very high	29 Å²	29	48.9 Å²	48.9	13%	0.127	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-10.4	175	-62.8	-68.9	0	0	0	113.7	Y424 R425 N669 S671 K672 R676	Y424-F674 HydrophobicContact CD2-CE2 4.07Å; Y424-F674 AromaticContact CD2-CZ 3.77Å; Y424-F674 HydrophobicContact CD2-CZ 3.77Å; Y424-F674 HydrophobicContact CE2-CE1 4.37Å; Y424-F674 HydrophobicContact CE2-CE2 4.38Å; Y424-F674 AromaticContact CE2-CZ 3.62Å; Y424-F674 HydrophobicContact CE2-CZ 3.62Å; R425-F674 HydrophobicContact CB-CE2 4.44Å; R425-F674 HydrophobicContact CB-CZ 4.47Å; R425-F674 HydrophobicContact CG-CB 4.36Å; R425-F674 HydrophobicContact CG-CD1 3.79Å; R425-F674 HydrophobicContact CG-CD2 4.06Å; R425-F674 HydrophobicContact CG-CE1 4.14Å; R425-F674 HydrophobicContact CG-CE2 4.39Å; R425-F674 HydrophobicContact CG-CG 3.82Å; R425-F674 HydrophobicContact CG-CZ 4.47Å; N669-F674 HydrophobicContact CB-CB 3.95Å; N669-F674 WeakPolarHBondContact OD1-CB 3.48Å; S671-F674 PolarHBondContact O-N 2.91Å; K672-F674 VanDerWaalsContact C-N 3.35Å; F674-R676 PolarHBondContact O-N 3.13Å; F674-R676 VanDerWaalsContact O-N 3.15Å
675	Q	95.5	Very high	95.1	Very high	67 Å²	67	57.6 Å²	57.6	31%	0.313	30%	0.301	S	S	.	.			trans	-66.2	106.9	163	-62.4	174.5	8.6	0	0	107.7	T666 N669 S671	T666-Q675 HydrophobicContact CG2-CB 4.14Å; N669-Q675 HydrophobicContact CB-CG 4.16Å; N669-Q675 PolarHBondContact O-NE2 2.86Å; S671-Q675 PolarHBondContact O-N 3.05Å
676	R	97.1	Very high	94.4	Very high	18 Å²	18	60 Å²	60	7%	0.068	32%	0.315	C	S	.	.			trans	-143.1	147	-175.5	-61.9	-177.8	-162.2	126.8	3.9	110.2	S582 E616 P667 G673 F674 V678	S582-R676 PolarHBondContact OG-NH1 3.11Å; E616-R676 HydrophobicContact CG-CB 4.02Å; E616-R676 IonicContact OE1-CZ 4Å; E616-R676 IonicContact OE1-NE 2.69Å; E616-R676 IonicContact OE1-NH1 3.57Å; E616-R676 PolarHBondContact OE1-NH1 3.21Å; P667-R676 WeakPolarHBondContact CD-O 3.23Å; G673-R676 VanDerWaalsContact O-CZ 3.3Å; G673-R676 PolarHBondContact O-NE 3.15Å; G673-R676 VanDerWaalsContact O-NE 3.15Å; G673-R676 PolarHBondContact O-NH2 3Å; F674-R676 PolarHBondContact O-N 3.13Å; F674-R676 VanDerWaalsContact O-N 3.15Å; R676-V678 PolarHBondContact O-N 3.06Å
677	P	98.1	Very high	93.1	Very high	33 Å²	33	60.8 Å²	60.8	21%	0.214	32%	0.322	C	S	.	.			trans	-60.7	138.6	174	27.2	-35.5	0	0	0	110.8	L663 Y679	L663-P677 HydrophobicContact CD1-CB 3.47Å; L663-P677 VanDerWaalsContact CD1-CB 3.47Å; P677-Y679 HydrophobicContact CB-CD2 4.26Å; P677-Y679 HydrophobicContact CB-CE1 4.48Å; P677-Y679 HydrophobicContact CB-CE2 3.56Å; P677-Y679 HydrophobicContact CG-CE2 3.56Å
678	V	98.7	Very high	91.3	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.2	166.1	175.5	0	0	0	0	106.9	V436 L437 V614 L615 E616 V664 A665 P667 R676	V436-V678 HydrophobicContact CG1-CB 4.2Å; V436-V678 HydrophobicContact CG1-CG2 4.41Å; L437-V678 HydrophobicContact CD2-CG1 4.28Å; V614-V678 HydrophobicContact CG1-CG1 3.71Å; L615-V678 WeakPolarHBondContact O-CA 3.44Å; E616-V678 HydrophobicContact CB-CG2 4.46Å; V664-V678 HydrophobicContact CB-CG1 4.49Å; V664-V678 WeakPolarHBondContact CB-O 3.47Å; V664-V678 HydrophobicContact CG2-CG1 4.45Å; V664-V678 PolarHBondContact N-O 3.18Å; A665-V678 PolarHBondContact O-N 3.2Å; P667-V678 HydrophobicContact CG-CG2 3.72Å; R676-V678 PolarHBondContact O-N 3.06Å
679	Y	98.8	Very high	88.6	Confident	54 Å²	54	71 Å²	71	21%	0.212	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	151.4	176.3	-59	-86	0	0	0	110.5	L615 P617 Y661 E662 L663 P677 F681	L615-Y679 PolarHBondContact N-O 3.3Å; L615-Y679 PolarHBondContact O-N 3.15Å; P617-Y679 HydrophobicContact CG-CD2 4.07Å; P617-Y679 HydrophobicContact CG-CE2 3.87Å; Y661-Y679 HydrophobicContact CD2-CD1 4.24Å; Y661-Y679 HydrophobicContact CE2-CD1 4.44Å; E662-Y679 VanDerWaalsContact O-CA 3.24Å; E662-Y679 WeakPolarHBondContact O-CA 3.4Å; L663-Y679 HydrophobicContact CB-CD1 4.04Å; L663-Y679 HydrophobicContact CB-CE1 3.99Å; L663-Y679 HydrophobicContact CD1-CD1 4.06Å; L663-Y679 HydrophobicContact CD1-CE1 3.83Å; L663-Y679 HydrophobicContact CG-CE1 4.41Å; P677-Y679 HydrophobicContact CB-CD2 4.26Å; P677-Y679 HydrophobicContact CB-CE1 4.48Å; P677-Y679 HydrophobicContact CB-CE2 3.56Å; P677-Y679 HydrophobicContact CG-CE2 3.56Å; Y679-F681 HydrophobicContact CG-CE2 4.32Å
680	L	98.6	Very high	88.3	Confident	4 Å²	4	74 Å²	74	2%	0.021	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.7	169.7	-163.6	67.6	0	0	0	108.2	W441 I612 V614 Y661 E662 V664	W441-L680 HydrophobicContact CE3-CD1 4.49Å; W441-L680 HydrophobicContact CH2-CD1 4.37Å; W441-L680 HydrophobicContact CH2-CD2 4.36Å; W441-L680 HydrophobicContact CZ2-CD2 3.84Å; W441-L680 HydrophobicContact CZ3-CD1 4.34Å; I612-L680 HydrophobicContact CB-CD1 3.91Å; I612-L680 HydrophobicContact CB-CG 4.38Å; I612-L680 HydrophobicContact CD1-CD1 3.93Å; I612-L680 HydrophobicContact CG1-CD1 4.46Å; I612-L680 HydrophobicContact CG2-CD1 4.26Å; I612-L680 HydrophobicContact CG2-CD2 4.42Å; I612-L680 HydrophobicContact CG2-CG 4.22Å; V614-L680 HydrophobicContact CG2-CD1 3.76Å; Y661-L680 CarbonylContact C-O 3.53Å; Y661-L680 WeakPolarHBondContact CA-O 3.45Å; Y661-L680 WeakPolarHBondContact CB-O 3.39Å; E662-L680 HydrophobicContact CG-CB 3.79Å; E662-L680 PolarHBondContact N-O 3.33Å; E662-L680 PolarHBondContact O-N 3.16Å; V664-L680 HydrophobicContact CG2-CB 3.86Å
681	F	98.9	Very high	88.3	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.3	177	-74.1	-98	0	0	0	109.2	I612 L613 L615 L651 T652 F658 Y661 Y679	I612-F681 WeakPolarHBondContact CA-O 3.4Å; L613-F681 HydrophobicContact CB-CB 4.09Å; L613-F681 HydrophobicContact CD2-CB 4.39Å; L613-F681 HydrophobicContact CG-CB 4.35Å; L613-F681 HydrophobicContact CG-CD2 4.49Å; L613-F681 PolarHBondContact N-O 3.45Å; L613-F681 PolarHBondContact O-N 3.22Å; L615-F681 HydrophobicContact CB-CD2 4.27Å; L615-F681 HydrophobicContact CB-CE2 4.18Å; L615-F681 HydrophobicContact CD2-CD2 4.39Å; L615-F681 HydrophobicContact CD2-CE2 3.71Å; L615-F681 HydrophobicContact CD2-CZ 4.39Å; L651-F681 HydrophobicContact CB-CD1 3.67Å; L651-F681 HydrophobicContact CB-CE1 3.45Å; L651-F681 VanDerWaalsContact CB-CE1 3.45Å; L651-F681 HydrophobicContact CB-CZ 4.19Å; L651-F681 HydrophobicContact CD1-CD1 4.02Å; L651-F681 HydrophobicContact CD1-CD2 4.14Å; L651-F681 HydrophobicContact CD1-CE1 3.61Å; L651-F681 HydrophobicContact CD1-CE2 3.7Å; L651-F681 HydrophobicContact CD1-CG 4.3Å; L651-F681 HydrophobicContact CD1-CZ 3.43Å; L651-F681 VanDerWaalsContact CD1-CZ 3.43Å; L651-F681 HydrophobicContact CG-CD1 4.41Å; L651-F681 HydrophobicContact CG-CE1 4.15Å; L651-F681 HydrophobicContact CG-CZ 4.44Å; T652-F681 HydrophobicContact CG2-CD1 4.48Å; T652-F681 HydrophobicContact CG2-CE1 4.43Å; F658-F681 HydrophobicContact CB-CB 4.4Å; F658-F681 HydrophobicContact CB-CD1 4.29Å; F658-F681 HydrophobicContact CD1-CB 3.73Å; F658-F681 HydrophobicContact CD2-CB 4.45Å; F658-F681 HydrophobicContact CE1-CB 4.04Å; F658-F681 HydrophobicContact CG-CB 3.96Å; F658-F681 HydrophobicContact CG-CD1 4.42Å; Y661-F681 HydrophobicContact CD1-CE1 4.12Å; Y661-F681 HydrophobicContact CD2-CE1 4.22Å; Y661-F681 HydrophobicContact CD2-CZ 4.07Å; Y661-F681 HydrophobicContact CG-CD1 4.16Å; Y661-F681 AromaticContact CG-CE1 3.64Å; Y661-F681 HydrophobicContact CG-CE1 3.64Å; Y661-F681 AromaticContact CG-CZ 3.97Å; Y661-F681 HydrophobicContact CG-CZ 3.97Å; Y679-F681 HydrophobicContact CG-CE2 4.32Å
682	H	98.7	Very high	88.3	Confident	54 Å²	54	73.1 Å²	73.1	25%	0.25	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.4	-173.7	-62.5	-87.3	0	0	0	111.2	I612 S659 S660 E662	I612-H682 WeakPolarHBondContact CG2-ND1 3.32Å; S659-H682 PolarHBondContact N-O 3.26Å; S659-H682 PolarHBondContact OG-O 2.91Å; S659-H682 VanDerWaalsContact OG-O 3.12Å; S660-H682 PolarHBondContact O-N 3.13Å; E662-H682 IonicContact OE1-CD2 2.69Å; E662-H682 IonicContact OE1-CE1 2.75Å; E662-H682 IonicContact OE1-NE2 3.53Å; E662-H682 PolarHBondContact OE1-NE2 3.02Å
683	K	98.5	Very high	88.2	Confident	29 Å²	29	67 Å²	67	13%	0.126	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-88.8	135.2	166.1	-177.1	166	-179.3	178.1	0	108.9	Y604 L607 G610 G611 F658	Y604-K683 HydrophobicContact CD2-CD 4.07Å; Y604-K683 HydrophobicContact CD2-CG 4.33Å; Y604-K683 HydrophobicContact CE1-CD 4.45Å; Y604-K683 HydrophobicContact CE2-CB 4.16Å; Y604-K683 HydrophobicContact CE2-CD 3.72Å; Y604-K683 HydrophobicContact CE2-CG 3.63Å; Y604-K683 PolarHBondContact O-NZ 3.31Å; L607-K683 HydrophobicContact CB-CD 4.03Å; L607-K683 PolarHBondContact O-NZ 3.08Å; G610-K683 WeakPolarHBondContact CA-O 3.24Å; G610-K683 PolarHBondContact N-O 2.91Å; G610-K683 VanDerWaalsContact N-O 3.14Å; G611-K683 WeakPolarHBondContact O-CB 3.44Å; G611-K683 PolarHBondContact O-N 2.9Å; F658-K683 HydrophobicContact CD1-CB 4.46Å
684	A	96.9	Very high	88.2	Confident	35 Å²	35	68.3 Å²	68.3	29%	0.289	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-55.2	146	179.9	0	0	0	0	0	112	P609 G610 S659	P609-A684 CarbonylContact C-O 3.53Å; P609-A684 WeakPolarHBondContact CA-O 3.2Å; G610-A684 PolarHBondContact N-O 3.04Å; S659-A684 PolarHBondContact OG-N 3.27Å
685	R	91.6	Very high	87.8	Confident	219 Å²	219	70.9 Å²	70.9	83%	0.826	37%	0.369	S	S	*	.	S	Bend	trans	-77.8	-38.7	176.1	-71.3	-179.5	-177.6	175.7	2.5	112.2	P609	P609-R685 WeakPolarHBondContact CB-O 3.12Å
686	S	81.2	Confident	87.3	Confident	85 Å²	85	71.1 Å²	71.1	59%	0.594	37%	0.373	S	S	*	.	S	Bend	trans	-80.4	142	173.6	42.2	0	0	0	0	110.9
687	P	71.3	Confident	86.5	Confident	96 Å²	96	75.2 Å²	75.2	62%	0.623	40%	0.397	S	S	*	.			trans	-63.3	138.3	156.3	29.9	-32.4	0	0	0	108.7	H689	P687-H689 PolarHBondContact O-N 3.05Å
688	S	57.3	Low	85.6	Confident	123 Å²	123	78.8 Å²	78.8	86%	0.86	41%	0.412	S	S	*	.			trans	-76.3	115	161.8	25.2	0	0	0	0	107.5
689	H	36.4	Very low	84.4	Confident	246 Å²	246	85.9 Å²	85.9	100%	1.139	45%	0.449	S	S	*	.			trans	-83.3	0	169.2	-90	-79.5	0	0	0	110.8	P687	P687-H689 PolarHBondContact O-N 3.05Å

Retrieved 689 of 689 residues in 1299.9 ms (Link to these results)

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