A0A096MG51_POEFO Loading...

Kinase

AlphaFold DB , UniProt , Accession A0A096MG51, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 787 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	30.4	Very low	239 Å²	239	131.7 Å²	131.7	100%	1.177	81%	0.813	S	S	*	*				0	106.2	0	-64.8	179.1	-84.6	0	0	105.6
2	A	29.2	Very low	30	Very low	102 Å²	102	127.3 Å²	127.3	84%	0.843	81%	0.812	S	S	*	*				90.8	131.1	64	0	0	0	0	0	110.7
3	A	30.1	Very low	29.9	Very low	88 Å²	88	127.3 Å²	127.3	73%	0.727	81%	0.809	S	S	*	*			cis	-161.9	166.3	-3.9	0	0	0	0	0	113.1
4	S	30.4	Very low	29.6	Very low	113 Å²	113	131 Å²	131	79%	0.79	82%	0.815	S	S	*	*			trans	62.6	141.5	156.8	-54.1	0	0	0	0	119.6
5	A	32.8	Very low	29.3	Very low	86 Å²	86	131.5 Å²	131.5	71%	0.711	81%	0.81	S	S	*	*			cis	78.3	145.4	27.9	0	0	0	0	0	114.5
6	L	32.9	Very low	29.2	Very low	153 Å²	153	130.3 Å²	130.3	80%	0.801	81%	0.808	S	S	*	*			cis	-115.4	-157.4	0.1	-65.8	162.9	0	0	0	110
7	N	27.3	Very low	29.1	Very low	125 Å²	125	128.6 Å²	128.6	67%	0.668	80%	0.803	S	S	*	*			cis	-147.2	168.6	3.4	-112.5	-18.2	0	0	0	107.5
8	L	31.3	Very low	29	Very low	144 Å²	144	131.2 Å²	131.2	75%	0.754	81%	0.81	S	S	*	*			cis	90.5	148.9	18.2	-96.5	171.9	0	0	0	119
9	N	29.4	Very low	29	Very low	154 Å²	154	132.3 Å²	132.3	82%	0.824	81%	0.805	S	S	*	*			trans	76.3	140.8	-174.5	-59.5	-19.1	0	0	0	117.4
10	G	27.9	Very low	29	Very low	72 Å²	72	133.6 Å²	133.6	74%	0.742	80%	0.799	S	S	*	*			cis	-170	170.1	-2.2	0	0	0	0	0	113.4
11	L	30	Very low	28.9	Very low	173 Å²	173	135.1 Å²	135.1	91%	0.906	80%	0.798	S	S	*	*			trans	-75.5	154.9	-176.4	-79.5	74	0	0	0	113.5
12	G	25.8	Very low	28.6	Very low	78 Å²	78	128.6 Å²	128.6	80%	0.804	78%	0.775	S	S	*	*			trans	-145.2	119	162.2	0	0	0	0	0	111.4
13	V	29.1	Very low	28.7	Very low	128 Å²	128	131.8 Å²	131.8	78%	0.776	77%	0.773	S	S	*	*			trans	-127.9	125.5	-179.8	174.1	0	0	0	0	109.4
14	M	25.2	Very low	29.5	Very low	179 Å²	179	133.4 Å²	133.4	88%	0.882	78%	0.776	S	S	*	*			trans	164.9	131.7	153.6	-92.6	165.1	177.9	0	0	106.9
15	N	25.7	Very low	29.4	Very low	138 Å²	138	131.3 Å²	131.3	74%	0.738	77%	0.772	S	S	*	*			cis	86.4	93.9	41.4	-171	38.6	0	0	0	114.2
16	S	27.3	Very low	29.2	Very low	113 Å²	113	132.4 Å²	132.4	79%	0.79	78%	0.775	S	S	*	*			trans	-173.4	113.6	154.2	-78.5	0	0	0	0	106.6
17	S	26.8	Very low	29.1	Very low	102 Å²	102	129.2 Å²	129.2	71%	0.713	77%	0.765	S	S	*	*				69.2	103.1	68.5	-66.5	0	0	0	0	114.3
18	N	27.9	Very low	29.1	Very low	174 Å²	174	130.7 Å²	130.7	93%	0.93	77%	0.773	S	S	*	*			trans	-146.6	143.3	140.5	-111.7	-25.4	0	0	0	108.8
19	Q	28.1	Very low	29	Very low	153 Å²	153	127.4 Å²	127.4	72%	0.715	77%	0.766	S	S	*	*			trans	-151.9	174.1	-164.1	-171.5	173.4	59.1	0	0	109.5
20	F	29	Very low	29	Very low	157 Å²	157	126.6 Å²	126.6	69%	0.689	77%	0.767	S	S	*	*			trans	73.2	142.9	177.7	-51.5	-84.9	0	0	0	113.9
21	H	28.2	Very low	29.1	Very low	167 Å²	167	128.6 Å²	128.6	77%	0.773	77%	0.77	S	S	*	*			cis	-158.8	175.7	-12.6	-124.5	8.2	0	0	0	107.5
22	S	25.5	Very low	29.1	Very low	101 Å²	101	131.3 Å²	131.3	71%	0.706	77%	0.768	S	S	*	*			cis	-155.6	164.5	12.6	41.8	0	0	0	0	112
23	Q	32.7	Very low	29.3	Very low	169 Å²	169	134.1 Å²	134.1	79%	0.79	77%	0.77	S	S	*	*			trans	-90.7	-173.9	165.1	-84.9	-77.4	-35.7	0	0	109
24	P	46.5	Very low	29.3	Very low	123 Å²	123	134.8 Å²	134.8	80%	0.799	77%	0.769	S	S	*	*			cis	-150.8	179.1	22	44.7	-23.5	0	0	0	120
25	G	27	Very low	29.4	Very low	68 Å²	68	132.5 Å²	132.5	70%	0.701	77%	0.765	S	S	*	*			trans	114.5	147.9	149.1	0	0	0	0	0	116.8
26	S	30	Very low	29.7	Very low	110 Å²	110	131.2 Å²	131.2	77%	0.769	77%	0.767	S	S	*	*			cis	-159.4	124.9	-14.4	-160	0	0	0	0	113.3
27	S	31	Very low	30.6	Very low	85 Å²	85	131.3 Å²	131.3	59%	0.594	77%	0.765	S	S	*	*			trans	48.1	145	135.8	67.8	0	0	0	0	124.6
28	N	27.3	Very low	30.9	Very low	157 Å²	157	133.3 Å²	133.3	84%	0.84	77%	0.773	S	S	*	*			trans	86.2	151.1	153.9	-57.1	-20.5	0	0	0	119.2
29	A	28.6	Very low	31.1	Very low	74 Å²	74	128.1 Å²	128.1	61%	0.612	76%	0.76	S	S	*	*			cis	176.1	167.5	-38.7	0	0	0	0	0	109.9
30	T	29.3	Very low	31.2	Very low	137 Å²	137	132.3 Å²	132.3	84%	0.84	77%	0.77	S	S	*	*			trans	77.4	148.6	166.1	74	0	0	0	0	118
31	S	30.5	Very low	31.8	Very low	115 Å²	115	130.3 Å²	130.3	80%	0.804	77%	0.773	S	S	*	*			cis	-161.1	177.4	-22.4	48.7	0	0	0	0	112.1
32	R	30.3	Very low	31.9	Very low	230 Å²	230	128.3 Å²	128.3	87%	0.868	77%	0.772	S	S	*	*			trans	-82.1	179.4	-169.7	-62.8	155.4	65.2	-171.5	3.3	114.6
33	T	28.7	Very low	32.3	Very low	136 Å²	136	130.6 Å²	130.6	83%	0.834	78%	0.775	S	S	*	*			trans	104.8	153.1	158.7	67.6	0	0	0	0	117.3
34	N	29.3	Very low	32.6	Very low	142 Å²	142	128.7 Å²	128.7	76%	0.759	78%	0.778	S	S	*	*			cis	-171.7	172	-41.9	-136.5	8.9	0	0	0	109.2
35	T	28.6	Very low	32.1	Very low	131 Å²	131	128 Å²	128	80%	0.804	77%	0.771	S	S	*	*			trans	81.2	153.3	163.2	70.4	0	0	0	0	122.6
36	S	31	Very low	32.7	Very low	112 Å²	112	130.8 Å²	130.8	78%	0.783	78%	0.777	S	S	*	*			trans	-121.7	-162.7	171.5	-39.9	0	0	0	0	108.2
37	P	46.1	Very low	32.7	Very low	114 Å²	114	132.2 Å²	132.2	74%	0.74	78%	0.775	S	S	*	*			cis	-147.4	-168	14.8	34.7	-7.3	0	0	0	117.9
38	V	34.3	Very low	32.6	Very low	145 Å²	145	139.4 Å²	139.4	88%	0.879	79%	0.79	S	S	*	*			trans	71.5	146.6	163.3	-165.3	0	0	0	0	118.2
39	G	30.4	Very low	32.6	Very low	65 Å²	65	136.3 Å²	136.3	67%	0.67	78%	0.781	S	S	*	*			cis	156.6	134.5	-16.9	0	0	0	0	0	117.2
40	R	31.5	Very low	32.7	Very low	240 Å²	240	138.7 Å²	138.7	91%	0.906	79%	0.787	S	S	*	*			trans	60.5	167.5	167.1	-81.2	-171.8	-177.3	-144	0	118.2
41	P	40.2	Very low	32.6	Very low	116 Å²	116	142.5 Å²	142.5	75%	0.753	79%	0.788	S	S	*	*			cis	-129.2	156.4	18	45.6	-28.8	0	0	0	116.9
42	V	31.4	Very low	32.5	Very low	124 Å²	124	141.8 Å²	141.8	75%	0.752	78%	0.782	S	S	*	*				92	147.6	83.3	-175.7	0	0	0	0	116.7
43	L	34.2	Very low	33.1	Very low	150 Å²	150	136.6 Å²	136.6	79%	0.785	78%	0.778	S	S	*	*			trans	-88.2	-177.9	-168.3	-57.5	165.8	0	0	0	115.1
44	P	38.9	Very low	33.3	Very low	129 Å²	129	137.9 Å²	137.9	84%	0.838	78%	0.779	S	S	*	*				-146.8	178.3	92.2	39.8	-23	0	0	0	117.4
45	V	35.5	Very low	33.5	Very low	108 Å²	108	139.6 Å²	139.6	66%	0.655	79%	0.787	S	S	*	*			trans	-123.5	165.7	177.2	-156.9	0	0	0	0	109.6
46	P	39.9	Very low	33.5	Very low	127 Å²	127	137.1 Å²	137.1	83%	0.825	79%	0.788	S	S	*	*				-153.4	176.8	114	38.8	-20.3	0	0	0	117.5
47	D	29.6	Very low	33.3	Very low	139 Å²	139	135.8 Å²	135.8	74%	0.743	79%	0.791	S	S	*	*			trans	-114.7	-174.5	-173.5	-63	-66.8	0	0	0	115.6
48	R	29.8	Very low	32.3	Very low	236 Å²	236	135.6 Å²	135.6	89%	0.891	79%	0.793	S	S	*	*			trans	82.1	160.9	154	-66.6	-177.7	-173.9	-158	0.3	119.6
49	S	27.3	Very low	32.2	Very low	93 Å²	93	135 Å²	135	65%	0.65	78%	0.784	S	S	*	*			cis	-177.3	152.1	-29.7	61.7	0	0	0	0	114
50	T	30.9	Very low	32.2	Very low	123 Å²	123	141.5 Å²	141.5	76%	0.755	79%	0.79	S	S	*	*			trans	79.1	149.7	148.3	-23.7	0	0	0	0	123.5
51	Y	25.7	Very low	32.1	Very low	218 Å²	218	135.2 Å²	135.2	86%	0.855	78%	0.783	S	S	*	*			trans	108.9	149.2	145.9	-125	-90.3	0	0	0	121.8
52	C	28.1	Very low	32.7	Very low	100 Å²	100	135.4 Å²	135.4	68%	0.676	78%	0.784	S	S	*	*			trans	-164.2	149.9	-170.7	-179.1	0	0	0	0	113.4
53	P	44.3	Very low	32.8	Very low	121 Å²	121	135.2 Å²	135.2	79%	0.786	78%	0.783	S	S	*	*			trans	-140	-174.4	157	35.4	-16.1	0	0	0	117
54	L	32.4	Very low	32.9	Very low	162 Å²	162	132.2 Å²	132.2	85%	0.848	78%	0.775	S	S	*	*			trans	-109.7	-179	-157	-97	92.1	0	0	0	118.7
55	L	33.1	Very low	33.5	Very low	178 Å²	178	131.8 Å²	131.8	93%	0.932	77%	0.772	S	S	*	*			trans	98.5	146.2	161.9	-59.9	154.8	0	0	0	116.8
56	G	28.3	Very low	33.7	Very low	80 Å²	80	135.3 Å²	135.3	83%	0.825	78%	0.778	S	S	*	*			cis	159	140.3	-10.1	0	0	0	0	0	113.5
57	G	26.8	Very low	33.5	Very low	83 Å²	83	135.4 Å²	135.4	86%	0.856	78%	0.777	S	S	*	*			trans	166.7	161.6	177	0	0	0	0	0	116.4
58	S	26.6	Very low	33.6	Very low	110 Å²	110	133.8 Å²	133.8	77%	0.769	78%	0.776	S	S	*	*			trans	-164.8	174.7	-171.2	-166.8	0	0	0	0	116.8
59	L	31.9	Very low	34.8	Very low	134 Å²	134	127.8 Å²	127.8	70%	0.702	77%	0.768	S	S	*	*			trans	80.8	154.3	165.9	-49.6	172.3	0	0	0	117.6
60	Y	29	Very low	35	Very low	201 Å²	201	134.8 Å²	134.8	79%	0.788	78%	0.78	S	S	*	*			cis	-149.1	173.9	11.3	-116.4	-53.7	0	0	0	113.8
61	S	29.8	Very low	35.1	Very low	108 Å²	108	133.3 Å²	133.3	76%	0.755	78%	0.775	S	S	*	*			trans	-162.2	151.1	175.2	-59.1	0	0	0	0	113.1
62	P	53.9	Low	35.4	Very low	120 Å²	120	130.9 Å²	130.9	78%	0.779	78%	0.776	S	S	*	*				-149.1	-156.4	112.7	34.4	-10.8	0	0	0	112.9
63	T	33.9	Very low	35.6	Very low	119 Å²	119	131.1 Å²	131.1	73%	0.73	78%	0.779	S	S	*	*			cis	-163.8	142.1	12.7	-10.8	0	0	0	0	113.7
64	S	35.6	Very low	35.2	Very low	88 Å²	88	134.4 Å²	134.4	62%	0.615	78%	0.784	S	S	*	*				35.6	161.2	126.3	-67.3	0	0	0	0	125.5
65	P	51.6	Low	35.3	Very low	120 Å²	120	131.2 Å²	131.2	78%	0.779	78%	0.781	S	S	*	*			cis	-114.3	150.6	24.2	16.4	7.8	0	0	0	116.3
66	K	40	Very low	35.2	Very low	181 Å²	181	132.3 Å²	132.3	79%	0.787	78%	0.778	S	S	*	*				73.3	145.4	63.9	-69.1	-179.8	171.6	178.7	0	113.3
67	T	34.1	Very low	35.6	Very low	129 Å²	129	134.7 Å²	134.7	79%	0.791	78%	0.777	S	S	*	*			cis	-132.6	-119	32	58	0	0	0	0	116.8
68	S	32.5	Very low	35.9	Very low	105 Å²	105	140.3 Å²	140.3	73%	0.734	78%	0.778	S	S	*	*			trans	-174.8	-165.5	-163.9	-59.5	0	0	0	0	109.2
69	P	55	Low	36.6	Very low	111 Å²	111	140.2 Å²	140.2	72%	0.721	78%	0.775	S	S	*	*			cis	-144.5	176.5	-5.1	44.9	-26.2	0	0	0	118.7
70	R	31.9	Very low	37.1	Very low	239 Å²	239	139.4 Å²	139.4	90%	0.902	78%	0.778	S	S	*	*			trans	64.7	148.9	152.6	-77.2	-177.4	175.7	179.8	-2.1	121
71	S	33	Very low	38.2	Very low	93 Å²	93	135.2 Å²	135.2	65%	0.65	78%	0.775	S	S	*	*			cis	-168	148.6	-9.5	49	0	0	0	0	115.5
72	L	32.4	Very low	39	Very low	166 Å²	166	136 Å²	136	87%	0.869	78%	0.777	S	S	*	*			trans	75.6	156	147	-83.6	165.5	0	0	0	123.4
73	S	30.7	Very low	38.1	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	78%	0.779	S	S	*	*			trans	62.7	91.7	164.1	51.2	0	0	0	0	121.8
74	Q	36.4	Very low	38	Very low	190 Å²	190	139.6 Å²	139.6	89%	0.888	79%	0.785	S	S	*	*				65.7	145.1	116.6	-158.6	160.7	-7.2	0	0	121.5
75	A	34.9	Very low	37.7	Very low	96 Å²	96	143 Å²	143	79%	0.793	80%	0.795	S	S	*	*			trans	-72.9	151.5	-171.6	0	0	0	0	0	114.8
76	F	30.9	Very low	36.9	Very low	200 Å²	200	142.3 Å²	142.3	88%	0.877	79%	0.794	S	S	*	*			trans	-111.7	139	174	-105.3	-92.7	0	0	0	112.9
77	V	36.7	Very low	37.6	Very low	130 Å²	130	138.3 Å²	138.3	79%	0.788	79%	0.786	S	S	*	*			trans	-104.4	144.2	169.9	174.3	0	0	0	0	107.9	P79	V77-P79 WeakPolarHBondContact O-CD 3.46Å
78	F	32.9	Very low	37.3	Very low	201 Å²	201	140.8 Å²	140.8	88%	0.882	79%	0.786	S	S	*	*			trans	-74.5	129.4	178.5	-85.4	-85.1	0	0	0	112.8
79	P	40.9	Very low	37.2	Very low	109 Å²	109	142 Å²	142	71%	0.708	79%	0.785	S	S	*	*			trans	-107.3	151.9	175.9	38.5	-31.6	0	0	0	114.2	V77	V77-P79 WeakPolarHBondContact O-CD 3.46Å
80	P	42.9	Very low	36.1	Very low	117 Å²	117	142.5 Å²	142.5	76%	0.76	79%	0.786	S	S	*	*			trans	-102.6	-176.6	156.6	40.5	-33.3	0	0	0	111
81	P	53	Low	36	Very low	112 Å²	112	137.2 Å²	137.2	73%	0.727	78%	0.78	S	S	*	*			cis	-117.9	-149.6	-17.3	33.3	-10.8	0	0	0	110.3
82	P	46.7	Very low	36	Very low	125 Å²	125	142.8 Å²	142.8	81%	0.812	79%	0.787	S	S	*	*				-144	-174.1	70.9	37.3	-16	0	0	0	115.6
83	N	33.2	Very low	36.5	Very low	152 Å²	152	139.8 Å²	139.8	81%	0.813	78%	0.777	S	S	*	*			trans	-114.2	162.3	-173	-82.6	-20.7	0	0	0	114.5
84	L	32	Very low	36.5	Very low	162 Å²	162	144.8 Å²	144.8	85%	0.848	78%	0.78	S	S	*	*			trans	160.5	155.8	138.7	-83.2	160.2	0	0	0	107.2
85	L	30.6	Very low	36.8	Very low	159 Å²	159	141.3 Å²	141.3	83%	0.832	78%	0.776	S	S	*	*			cis	-123.7	-169.9	8.4	-72.2	166.5	0	0	0	111.6
86	S	34.2	Very low	37	Very low	107 Å²	107	142.5 Å²	142.5	75%	0.748	78%	0.776	S	S	*	*			trans	-142.2	174.4	160.6	68.8	0	0	0	0	108.7
87	P	54.4	Low	37.3	Very low	97 Å²	97	138.4 Å²	138.4	63%	0.63	77%	0.772	S	S	*	*				-140.6	-175.4	67	31.5	-7.3	0	0	0	112.8
88	F	28.9	Very low	37.9	Very low	181 Å²	181	137.5 Å²	137.5	79%	0.794	77%	0.769	S	S	*	*			cis	-137.9	150	15.2	-90.2	-80.8	0	0	0	113.1
89	D	30.1	Very low	37.7	Very low	131 Å²	131	139.4 Å²	139.4	70%	0.701	77%	0.77	S	S	*	*			trans	15.7	141.5	138.2	-57.5	-18.1	0	0	0	120.9
90	T	30.8	Very low	37.4	Very low	121 Å²	121	139.5 Å²	139.5	74%	0.742	77%	0.774	S	S	*	*			cis	-161.1	-173.8	-4	26.5	0	0	0	0	107.8
91	T	30.8	Very low	37.8	Very low	127 Å²	127	139.2 Å²	139.2	78%	0.779	77%	0.772	S	S	*	*			cis	-148.6	172.7	6.6	-14.2	0	0	0	0	110.7
92	R	32.4	Very low	36.7	Very low	210 Å²	210	142.4 Å²	142.4	79%	0.792	78%	0.777	S	S	*	*			trans	-156.4	168.8	162.1	-132	-164.6	173.4	-157.6	0.4	108
93	P	42.7	Very low	36.1	Very low	103 Å²	103	148.5 Å²	148.5	67%	0.669	78%	0.784	S	S	*	*				-157.2	158.2	61.4	40.6	-18.4	0	0	0	120.3
94	R	30.8	Very low	36.1	Very low	211 Å²	211	149.8 Å²	149.8	80%	0.796	79%	0.79	S	S	*	*			trans	60.7	133.8	139.2	-69.6	169.2	-176.8	159.4	1	122.8
95	S	42.6	Very low	36.1	Very low	116 Å²	116	145 Å²	145	81%	0.811	78%	0.78	S	S	*	*			trans	-94.1	152.5	141.9	51.8	0	0	0	0	111
96	P	40.5	Very low	36.1	Very low	121 Å²	121	143.9 Å²	143.9	79%	0.786	78%	0.779	S	S	*	*			trans	-149.9	165.7	130.2	38.5	-22.6	0	0	0	115.5
97	S	35.6	Very low	35.9	Very low	114 Å²	114	145.7 Å²	145.7	80%	0.797	78%	0.78	S	S	*	*			trans	-100.5	166.6	159.8	-40.4	0	0	0	0	109.1
98	P	49.4	Very low	34.8	Very low	112 Å²	112	147.4 Å²	147.4	73%	0.727	79%	0.789	S	S	*	*			cis	-156.7	-168.2	41.8	40.8	-16.2	0	0	0	118.8
99	R	29.5	Very low	34.8	Very low	240 Å²	240	142.3 Å²	142.3	91%	0.906	79%	0.787	S	S	*	*			trans	92.3	166.7	158.7	-67	178.1	-175.6	177.6	4.1	120.2
100	S	34.6	Very low	34.8	Very low	112 Å²	112	144.9 Å²	144.9	78%	0.783	80%	0.795	S	S	*	*			trans	-134.5	-171.4	-162.2	-38.3	0	0	0	0	109.3
101	P	50.7	Low	34.8	Very low	111 Å²	111	150.6 Å²	150.6	72%	0.721	80%	0.803	S	S	*	*			cis	-142.9	-156.1	8.6	39.3	-14.7	0	0	0	116
102	E	30.7	Very low	34.9	Very low	178 Å²	178	152.6 Å²	152.6	83%	0.832	81%	0.807	S	S	*	*			trans	87.3	110.5	158.1	-77.4	179.5	-157.4	0	0	122.9
103	R	34.3	Very low	34.8	Very low	254 Å²	254	153.3 Å²	153.3	96%	0.958	81%	0.81	S	S	*	*				-155.3	160.8	115	-108.6	-178.6	-179.3	-156.2	-1.5	111.4
104	L	33.3	Very low	34.2	Very low	179 Å²	179	159.5 Å²	159.5	94%	0.937	82%	0.82	S	S	*	*			trans	-100.7	161	-172	-65	158.6	0	0	0	111.4
105	G	30.5	Very low	34	Very low	61 Å²	61	156.6 Å²	156.6	63%	0.629	82%	0.819	S	S	*	*			cis	165.5	-178	-3	0	0	0	0	0	111.6
106	V	32.3	Very low	33.4	Very low	136 Å²	136	157.1 Å²	157.1	82%	0.824	82%	0.823	S	S	*	*			trans	42.6	143.2	157.3	-82.2	0	0	0	0	121
107	N	30.1	Very low	32.8	Very low	144 Å²	144	154.6 Å²	154.6	77%	0.77	82%	0.819	S	S	*	*			cis	-158.7	178.8	31.3	-132.6	-23.8	0	0	0	115.5
108	V	29.6	Very low	32.6	Very low	134 Å²	134	158.5 Å²	158.5	81%	0.812	83%	0.825	S	S	*	*			trans	-64.1	151.7	-174.9	179.6	0	0	0	0	116.3
109	G	29.1	Very low	31.8	Very low	74 Å²	74	158.9 Å²	158.9	76%	0.763	82%	0.82	S	S	*	*			trans	-169.7	146.7	165.1	0	0	0	0	0	115.6
110	Q	30.1	Very low	32	Very low	184 Å²	184	158.2 Å²	158.2	86%	0.86	82%	0.818	S	S	*	*			trans	-110.3	138.4	-167	-66.3	170.6	-46.3	0	0	116.6
111	R	31.6	Very low	31.8	Very low	242 Å²	242	156.5 Å²	156.5	91%	0.913	82%	0.818	S	S	*	*			trans	17.6	107.1	137.2	-173.5	-154.9	-64	-153.4	0.4	119.4
112	I	31.6	Very low	31	Very low	169 Å²	169	161 Å²	161	87%	0.867	83%	0.83	S	S	*	*			trans	-138.9	154.4	154.7	-71.8	-170.3	0	0	0	111.2
113	R	30.6	Very low	31.1	Very low	224 Å²	224	156.1 Å²	156.1	85%	0.845	83%	0.827	S	S	*	*			trans	-106.1	146	173.3	-74	172.9	163.7	149.4	-10.7	111.9
114	R	31.2	Very low	31	Very low	233 Å²	233	152.3 Å²	152.3	88%	0.879	83%	0.826	S	S	*	*			trans	-178.2	133.4	138.5	-94.2	143.6	-169.2	-144.7	-0.1	107.6
115	L	26.9	Very low	31.1	Very low	150 Å²	150	147 Å²	147	79%	0.785	81%	0.814	S	S	*	*			cis	84.7	121.3	48.6	-73.6	175.3	0	0	0	113.6
116	S	29.9	Very low	31.4	Very low	128 Å²	128	153.1 Å²	153.1	90%	0.895	83%	0.827	S	S	*	*			trans	56.2	149.4	161.7	49	0	0	0	0	118.6
117	G	26.6	Very low	31.5	Very low	67 Å²	67	155.3 Å²	155.3	69%	0.691	83%	0.828	S	S	*	*			cis	165.7	158.3	-3.7	0	0	0	0	0	111.9
118	E	31.8	Very low	31.8	Very low	197 Å²	197	156.3 Å²	156.3	92%	0.921	83%	0.828	S	S	*	*			trans	42.3	116.6	154.3	-75.5	166.7	114.5	0	0	122.9
119	D	32.1	Very low	32.1	Very low	119 Å²	119	155.9 Å²	155.9	64%	0.636	83%	0.826	S	S	*	*				101.1	147.1	121.4	-156	25.4	0	0	0	121.5
120	R	35	Very low	32.2	Very low	226 Å²	226	156.4 Å²	156.4	85%	0.853	83%	0.831	S	S	*	*			trans	69.1	132.4	168.3	-75.2	157.8	-140.2	-106.6	-17.8	122.2
121	G	30.6	Very low	32.4	Very low	77 Å²	77	151.4 Å²	151.4	79%	0.794	83%	0.829	S	S	*	*			trans	160	88.9	163	0	0	0	0	0	113.5
122	E	33.6	Very low	32.5	Very low	205 Å²	205	143.4 Å²	143.4	96%	0.958	82%	0.821	S	S	*	*			trans	-63.3	133	172.6	-65.1	152.1	117.7	0	0	110.4
123	G	31.7	Very low	33.2	Very low	76 Å²	76	142 Å²	142	78%	0.784	82%	0.821	S	S	*	*				117.1	156.6	87	0	0	0	0	0	108.8
124	D	33.8	Very low	34	Very low	173 Å²	173	141.7 Å²	141.7	93%	0.925	82%	0.82	S	S	*	*			cis	-155	159.9	-2.7	-171.2	10.6	0	0	0	108.6
125	G	34	Very low	34.7	Very low	67 Å²	67	133.7 Å²	133.7	69%	0.691	81%	0.81	S	S	*	*			trans	152.5	126.9	178	0	0	0	0	0	116.1
126	Q	36.9	Very low	35.7	Very low	191 Å²	191	128.7 Å²	128.7	89%	0.893	79%	0.794	S	S	*	*			trans	-83.1	158.1	-178.2	-59.2	168.3	-83.7	0	0	111
127	E	35.6	Very low	36.7	Very low	182 Å²	182	129.7 Å²	129.7	85%	0.85	79%	0.785	S	S	*	*				-154.3	168.9	50.5	-70.9	-177.8	131.7	0	0	114.8
128	E	35.2	Very low	38	Very low	164 Å²	164	129.8 Å²	129.8	77%	0.766	78%	0.779	S	S	*	*			trans	58.3	85.7	153	-71.8	-67.8	86.2	0	0	122.5
129	T	35.6	Very low	39.2	Very low	126 Å²	126	129.1 Å²	129.1	77%	0.773	77%	0.768	S	S	*	*				54.9	109.6	118.4	-51.6	0	0	0	0	121.5
130	G	32.3	Very low	40.7	Very low	84 Å²	84	126.9 Å²	126.9	87%	0.866	76%	0.756	S	S	*	*			trans	121.4	90.7	132.6	0	0	0	0	0	119.3
131	G	33.4	Very low	42.2	Very low	80 Å²	80	119.9 Å²	119.9	83%	0.825	73%	0.733	S	S	*	*			trans	-163.4	60.9	177.3	0	0	0	0	0	116
132	G	33.8	Very low	44.1	Very low	73 Å²	73	124 Å²	124	75%	0.753	73%	0.725	S	S	*	*			trans	-73.8	137.3	-172.4	0	0	0	0	0	116.4	R134	G132-R134 VanDerWaalsContact C-N 3.27Å; G132-R134 PolarHBondContact O-N 3.13Å
133	T	47.5	Very low	45.8	Very low	141 Å²	141	119.3 Å²	119.3	87%	0.865	70%	0.701	S	S	*	*			trans	-68	62.1	-178.4	-43.8	0	0	0	0	114.3
134	R	46.3	Very low	47.7	Very low	217 Å²	217	122 Å²	122	82%	0.819	69%	0.688	S	S	*	*			trans	-107.6	-4.1	-171	-151.5	173.6	-179.8	-170.3	-0.9	115.6	G132	G132-R134 VanDerWaalsContact C-N 3.27Å; G132-R134 PolarHBondContact O-N 3.13Å
135	G	45.7	Very low	49.6	Very low	64 Å²	64	119.2 Å²	119.2	66%	0.66	67%	0.669	S	S	*	*	H	α-helix	trans	-85.1	-24.9	-175.2	0	0	0	0	0	116.2
136	G	48.5	Very low	51.5	Low	45 Å²	45	120.8 Å²	120.8	46%	0.464	66%	0.658	S	S	.	*	H	α-helix	trans	-77	-59.2	-176.4	0	0	0	0	0	112.8	A138 R139 D140	G136-A138 VanDerWaalsContact C-N 3.35Å; G136-A138 PolarHBondContact O-N 2.92Å; G136-R139 WeakPolarHBondContact O-CB 3.46Å; G136-R139 PolarHBondContact O-N 3.27Å; G136-D140 PolarHBondContact O-N 3.41Å
137	E	50.6	Low	53.5	Low	150 Å²	150	117.3 Å²	117.3	70%	0.701	64%	0.642	S	S	*	*	H	α-helix	trans	-59.7	-42	-173.1	-58.6	-175.2	135.9	0	0	112.7	R139 D140 E141	E137-R139 PolarHBondContact O-N 3.27Å; E137-D140 PolarHBondContact O-N 3.33Å; E137-E141 WeakPolarHBondContact O-CB 3.42Å; E137-E141 PolarHBondContact O-N 2.95Å
138	A	54.4	Low	55.4	Low	68 Å²	68	113.9 Å²	113.9	56%	0.562	63%	0.629	S	S	*	*	H	α-helix	trans	-60.4	-30.8	176.2	0	0	0	0	0	113	G136 R142	G136-A138 VanDerWaalsContact C-N 3.35Å; G136-A138 PolarHBondContact O-N 2.92Å; A138-R142 WeakPolarHBondContact O-CB 3.28Å; A138-R142 PolarHBondContact O-N 3.22Å
139	R	56.2	Low	57.3	Low	184 Å²	184	111.9 Å²	111.9	69%	0.694	62%	0.623	S	S	*	*	H	α-helix	trans	-77	-34.2	177.9	-168.4	179.4	-175.8	-170.7	3	112.1	G136 E137 K143	G136-R139 WeakPolarHBondContact O-CB 3.46Å; G136-R139 PolarHBondContact O-N 3.27Å; E137-R139 PolarHBondContact O-N 3.27Å; R139-K143 WeakPolarHBondContact O-CG 3.49Å; R139-K143 PolarHBondContact O-N 3.36Å
140	D	64.5	Low	59.2	Low	72 Å²	72	113.5 Å²	113.5	39%	0.385	62%	0.615	S	S	.	*	H	α-helix	trans	-84.2	-30.9	178.5	-71.5	-25.2	0	0	0	112.6	G136 E137 K143 R144	G136-D140 PolarHBondContact O-N 3.41Å; E137-D140 PolarHBondContact O-N 3.33Å; D140-K143 WeakPolarHBondContact O-CB 3.38Å; D140-K143 PolarHBondContact O-N 3.24Å; D140-K143 WeakPolarHBondContact OD1-CD 3.33Å; D140-K143 WeakPolarHBondContact OD1-CE 3.49Å; D140-K143 IonicContact OD1-NZ 3.75Å; D140-K143 PolarHBondContact OD1-NZ 3.02Å; D140-R144 WeakPolarHBondContact O-CG 3.41Å; D140-R144 PolarHBondContact O-N 2.82Å
141	E	66.4	Low	61.2	Low	79 Å²	79	112.7 Å²	112.7	37%	0.369	59%	0.59	S	S	.	*	H	α-helix	trans	-64.4	-41.5	169.7	-169.7	53.6	-137.5	0	0	111.5	E137 K143 R144 Q145	E137-E141 WeakPolarHBondContact O-CB 3.42Å; E137-E141 PolarHBondContact O-N 2.95Å; E141-K143 VanDerWaalsContact C-N 3.31Å; E141-K143 PolarHBondContact O-N 2.86Å; E141-R144 WeakPolarHBondContact O-CB 3.33Å; E141-R144 PolarHBondContact O-N 2.76Å; E141-R144 IonicContact OE2-CZ 3.73Å; E141-R144 IonicContact OE2-NE 2.87Å; E141-R144 PolarHBondContact OE2-NE 2.95Å; E141-R144 IonicContact OE2-NH2 2.65Å; E141-R144 PolarHBondContact OE2-NH2 2.87Å; E141-Q145 PolarHBondContact O-N 3.43Å
142	R	69.9	Low	63.1	Low	163 Å²	163	114.1 Å²	114.1	62%	0.615	58%	0.575	S	S	*	*	H	α-helix	trans	-57	-42.7	172.3	-180	172.9	174.4	157.3	4.9	112.4	A138 R144 Q145 E146	A138-R142 WeakPolarHBondContact O-CB 3.28Å; A138-R142 PolarHBondContact O-N 3.22Å; R142-R144 VanDerWaalsContact C-N 3.34Å; R142-R144 PolarHBondContact O-N 3.31Å; R142-Q145 PolarHBondContact O-N 3.21Å; R142-E146 HydrophobicContact CG-CG 4.46Å; R142-E146 WeakPolarHBondContact CG-OE1 3.42Å; R142-E146 IonicContact CZ-OE1 2.72Å; R142-E146 IonicContact NE-OE1 3.48Å; R142-E146 PolarHBondContact NE-OE1 3.21Å; R142-E146 IonicContact NH2-OE1 2.78Å; R142-E146 WeakPolarHBondContact O-CB 3.44Å; R142-E146 VanDerWaalsContact O-CG 3.3Å; R142-E146 WeakPolarHBondContact O-CG 3.16Å; R142-E146 PolarHBondContact O-N 2.89Å
143	K	70.6	Confident	65	Low	107 Å²	107	118.6 Å²	118.6	47%	0.465	57%	0.569	S	S	.	*	H	α-helix	trans	-63.2	-38.3	174.2	-65.7	169.1	-164.9	166.8	0	112.2	R139 D140 E141 E146 H147	R139-K143 WeakPolarHBondContact O-CG 3.49Å; R139-K143 PolarHBondContact O-N 3.36Å; D140-K143 WeakPolarHBondContact O-CB 3.38Å; D140-K143 PolarHBondContact O-N 3.24Å; D140-K143 WeakPolarHBondContact OD1-CD 3.33Å; D140-K143 WeakPolarHBondContact OD1-CE 3.49Å; D140-K143 IonicContact OD1-NZ 3.75Å; D140-K143 PolarHBondContact OD1-NZ 3.02Å; E141-K143 VanDerWaalsContact C-N 3.31Å; E141-K143 PolarHBondContact O-N 2.86Å; K143-E146 PolarHBondContact O-N 3.22Å; K143-H147 WeakPolarHBondContact O-CB 3.45Å; K143-H147 PolarHBondContact O-N 3.35Å
144	R	70.8	Confident	66.1	Low	133 Å²	133	116.4 Å²	116.4	50%	0.502	55%	0.549	S	S	.	.	H	α-helix	trans	-64.3	-43.5	176.2	-73	-173	-73.8	-103.9	5.6	111.5	D140 E141 R142 H147 L148	D140-R144 WeakPolarHBondContact O-CG 3.41Å; D140-R144 PolarHBondContact O-N 2.82Å; E141-R144 WeakPolarHBondContact O-CB 3.33Å; E141-R144 PolarHBondContact O-N 2.76Å; E141-R144 IonicContact OE2-CZ 3.73Å; E141-R144 IonicContact OE2-NE 2.87Å; E141-R144 PolarHBondContact OE2-NE 2.95Å; E141-R144 IonicContact OE2-NH2 2.65Å; E141-R144 PolarHBondContact OE2-NH2 2.87Å; R142-R144 VanDerWaalsContact C-N 3.34Å; R142-R144 PolarHBondContact O-N 3.31Å; R144-H147 PolarHBondContact O-N 3.42Å; R144-L148 WeakPolarHBondContact O-CG 3.48Å; R144-L148 PolarHBondContact O-N 3Å
145	Q	73.8	Confident	67.1	Low	114 Å²	114	111.3 Å²	111.3	53%	0.533	54%	0.537	S	S	.	.	H	α-helix	trans	-63.3	-46.7	173.5	-69.4	-175.8	-18.4	0	0	112.4	E141 R142 H147 L148 L149	E141-Q145 PolarHBondContact O-N 3.43Å; R142-Q145 PolarHBondContact O-N 3.21Å; Q145-H147 VanDerWaalsContact C-N 3.27Å; Q145-H147 PolarHBondContact O-N 3.27Å; Q145-L148 PolarHBondContact O-N 3.48Å; Q145-L149 WeakPolarHBondContact O-CB 3.47Å; Q145-L149 WeakPolarHBondContact O-CG 3.49Å; Q145-L149 PolarHBondContact O-N 3.05Å
146	E	74.6	Confident	67.7	Low	100 Å²	100	113 Å²	113	47%	0.467	53%	0.528	S	S	.	.	H	α-helix	trans	-60.4	-35.4	176.7	-73.1	169.1	-177	0	0	111.9	R142 K143 R150	R142-E146 HydrophobicContact CG-CG 4.46Å; R142-E146 WeakPolarHBondContact CG-OE1 3.42Å; R142-E146 IonicContact CZ-OE1 2.72Å; R142-E146 IonicContact NE-OE1 3.48Å; R142-E146 PolarHBondContact NE-OE1 3.21Å; R142-E146 IonicContact NH2-OE1 2.78Å; R142-E146 WeakPolarHBondContact O-CB 3.44Å; R142-E146 VanDerWaalsContact O-CG 3.3Å; R142-E146 WeakPolarHBondContact O-CG 3.16Å; R142-E146 PolarHBondContact O-N 2.89Å; K143-E146 PolarHBondContact O-N 3.22Å; E146-R150 PolarHBondContact O-N 3.03Å
147	H	77.1	Confident	68.4	Low	117 Å²	117	115.3 Å²	115.3	54%	0.542	53%	0.53	S	S	.	.	H	α-helix	trans	-70.9	-43.5	174.4	-172.8	53.2	0	0	0	113	K143 R144 Q145 R150 I151	K143-H147 WeakPolarHBondContact O-CB 3.45Å; K143-H147 PolarHBondContact O-N 3.35Å; R144-H147 PolarHBondContact O-N 3.42Å; Q145-H147 VanDerWaalsContact C-N 3.27Å; Q145-H147 PolarHBondContact O-N 3.27Å; H147-R150 WeakPolarHBondContact O-CB 3.33Å; H147-R150 PolarHBondContact O-N 3.47Å; H147-I151 WeakPolarHBondContact O-CG1 3.41Å; H147-I151 PolarHBondContact O-N 2.78Å
148	L	75.7	Confident	69.1	Low	111 Å²	111	111.9 Å²	111.9	58%	0.581	52%	0.519	S	S	*	.	H	α-helix	trans	-63.8	-41.4	176.5	-76.6	166.5	0	0	0	112.4	R144 Q145 R150 I151 H152	R144-L148 WeakPolarHBondContact O-CG 3.48Å; R144-L148 PolarHBondContact O-N 3Å; Q145-L148 PolarHBondContact O-N 3.48Å; L148-R150 VanDerWaalsContact C-N 3.25Å; L148-R150 PolarHBondContact O-N 2.93Å; L148-I151 PolarHBondContact O-N 2.69Å; L148-H152 PolarHBondContact O-N 3.32Å
149	L	76.3	Confident	69.4	Low	121 Å²	121	114 Å²	114	63%	0.634	52%	0.517	S	S	*	.	H	α-helix	trans	-62.6	-33.1	174.3	-72.3	170.2	0	0	0	112.3	Q145 R153	Q145-L149 WeakPolarHBondContact O-CB 3.47Å; Q145-L149 WeakPolarHBondContact O-CG 3.49Å; Q145-L149 PolarHBondContact O-N 3.05Å; L149-R153 WeakPolarHBondContact O-CB 3.47Å; L149-R153 PolarHBondContact O-N 2.84Å; L149-R153 VanDerWaalsContact O-N 3.13Å
150	R	74.6	Confident	69.5	Low	160 Å²	160	109.3 Å²	109.3	60%	0.604	51%	0.509	S	S	*	.	H	α-helix	trans	-68.7	-46.7	173.6	-176.6	173.4	-177.6	148.8	3.4	112	E146 H147 L148 H152 R153 E154	E146-R150 PolarHBondContact O-N 3.03Å; H147-R150 WeakPolarHBondContact O-CB 3.33Å; H147-R150 PolarHBondContact O-N 3.47Å; L148-R150 VanDerWaalsContact C-N 3.25Å; L148-R150 PolarHBondContact O-N 2.93Å; R150-H152 VanDerWaalsContact C-N 3.33Å; R150-H152 PolarHBondContact O-N 2.65Å; R150-R153 PolarHBondContact O-N 2.97Å; R150-E154 VanDerWaalsContact CG-OE1 3.28Å; R150-E154 WeakPolarHBondContact CG-OE1 3.47Å; R150-E154 IonicContact CZ-OE1 2.62Å; R150-E154 IonicContact NE-OE1 2.95Å; R150-E154 PolarHBondContact NE-OE1 2.8Å; R150-E154 IonicContact NH2-OE1 2.74Å; R150-E154 WeakPolarHBondContact O-CG 3.3Å; R150-E154 PolarHBondContact O-N 3.34Å
151	I	74	Confident	69.2	Low	68 Å²	68	114 Å²	114	35%	0.349	52%	0.521	S	S	.	.	H	α-helix	trans	-59.5	-43.9	175.7	-67.4	166.6	0	0	0	110.7	H147 L148 R153 E154 L155	H147-I151 WeakPolarHBondContact O-CG1 3.41Å; H147-I151 PolarHBondContact O-N 2.78Å; L148-I151 PolarHBondContact O-N 2.69Å; I151-R153 VanDerWaalsContact C-N 3.35Å; I151-R153 PolarHBondContact O-N 3.18Å; I151-E154 PolarHBondContact O-N 3.22Å; I151-L155 HydrophobicContact CG2-CD1 4.02Å; I151-L155 HydrophobicContact CG2-CG 4.42Å; I151-L155 WeakPolarHBondContact O-CG 3.38Å; I151-L155 PolarHBondContact O-N 2.98Å
152	H	74.1	Confident	69.1	Low	109 Å²	109	112.2 Å²	112.2	51%	0.505	52%	0.523	S	S	.	.	H	α-helix	trans	-61.8	-41.3	178.1	-167.8	79.3	0	0	0	112.3	L148 R150 L155 Q156	L148-H152 PolarHBondContact O-N 3.32Å; R150-H152 VanDerWaalsContact C-N 3.33Å; R150-H152 PolarHBondContact O-N 2.65Å; H152-L155 PolarHBondContact O-N 2.86Å; H152-Q156 PolarHBondContact CD2-NE2 3.3Å; H152-Q156 VanDerWaalsContact CD2-NE2 3.32Å; H152-Q156 PolarHBondContact NE2-NE2 3.37Å; H152-Q156 WeakPolarHBondContact O-CG 3.45Å; H152-Q156 PolarHBondContact O-N 2.8Å
153	R	74.1	Confident	68.9	Low	168 Å²	168	109.7 Å²	109.7	63%	0.634	52%	0.517	S	S	*	.	H	α-helix	trans	-64.5	-40.9	174	-172.1	-174.6	-60.7	-103	-0.2	112.4	L149 R150 I151 Q156 N157	L149-R153 WeakPolarHBondContact O-CB 3.47Å; L149-R153 PolarHBondContact O-N 2.84Å; L149-R153 VanDerWaalsContact O-N 3.13Å; R150-R153 PolarHBondContact O-N 2.97Å; I151-R153 VanDerWaalsContact C-N 3.35Å; I151-R153 PolarHBondContact O-N 3.18Å; R153-Q156 PolarHBondContact O-N 3.19Å; R153-N157 WeakPolarHBondContact O-CB 3.49Å; R153-N157 PolarHBondContact O-N 3.31Å; R153-N157 PolarHBondContact O-ND2 3Å
154	E	70.4	Confident	68.8	Low	94 Å²	94	108.5 Å²	108.5	44%	0.439	52%	0.518	S	S	.	.	H	α-helix	trans	-67.6	-35.7	177.8	-72.7	172.1	-166.9	0	0	111.5	R150 I151 N157 V158	R150-E154 VanDerWaalsContact CG-OE1 3.28Å; R150-E154 WeakPolarHBondContact CG-OE1 3.47Å; R150-E154 IonicContact CZ-OE1 2.62Å; R150-E154 IonicContact NE-OE1 2.95Å; R150-E154 PolarHBondContact NE-OE1 2.8Å; R150-E154 IonicContact NH2-OE1 2.74Å; R150-E154 WeakPolarHBondContact O-CG 3.3Å; R150-E154 PolarHBondContact O-N 3.34Å; I151-E154 PolarHBondContact O-N 3.22Å; E154-N157 PolarHBondContact O-N 3.4Å; E154-V158 WeakPolarHBondContact O-CG2 3.28Å; E154-V158 PolarHBondContact O-N 3.13Å; E154-V158 VanDerWaalsContact O-N 3.09Å
155	L	66.5	Low	68.8	Low	111 Å²	111	104 Å²	104	58%	0.581	51%	0.513	S	S	*	.	H	α-helix	trans	-66.3	-46.1	171.8	-71.6	170.4	0	0	0	112.7	I151 H152 N157 V158 E159	I151-L155 HydrophobicContact CG2-CD1 4.02Å; I151-L155 HydrophobicContact CG2-CG 4.42Å; I151-L155 WeakPolarHBondContact O-CG 3.38Å; I151-L155 PolarHBondContact O-N 2.98Å; H152-L155 PolarHBondContact O-N 2.86Å; L155-N157 VanDerWaalsContact C-N 3.28Å; L155-N157 PolarHBondContact O-N 2.86Å; L155-V158 PolarHBondContact O-N 3.08Å; L155-V158 VanDerWaalsContact O-N 3.1Å; L155-E159 PolarHBondContact O-N 2.76Å
156	Q	58.8	Low	68.7	Low	100 Å²	100	104.3 Å²	104.3	47%	0.467	52%	0.518	S	S	.	.	H	α-helix	trans	-57.4	-42.5	173.5	-73.5	-178.6	-2.2	0	0	111.4	H152 R153 V158 E159 V160	H152-Q156 PolarHBondContact CD2-NE2 3.3Å; H152-Q156 VanDerWaalsContact CD2-NE2 3.32Å; H152-Q156 PolarHBondContact NE2-NE2 3.37Å; H152-Q156 WeakPolarHBondContact O-CG 3.45Å; H152-Q156 PolarHBondContact O-N 2.8Å; R153-Q156 PolarHBondContact O-N 3.19Å; Q156-V158 VanDerWaalsContact C-N 3.31Å; Q156-V158 PolarHBondContact O-N 3.18Å; Q156-E159 PolarHBondContact O-N 2.94Å; Q156-V160 WeakPolarHBondContact O-CB 3.46Å; Q156-V160 VanDerWaalsContact O-CG2 3.32Å; Q156-V160 WeakPolarHBondContact O-CG2 3.4Å; Q156-V160 PolarHBondContact O-N 3.38Å
157	N	63.9	Low	68.2	Low	93 Å²	93	106.5 Å²	106.5	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-63.1	-34.3	176.3	-72.9	-17.6	0	0	0	112.9	R153 E154 L155 R161	R153-N157 WeakPolarHBondContact O-CB 3.49Å; R153-N157 PolarHBondContact O-N 3.31Å; R153-N157 PolarHBondContact O-ND2 3Å; E154-N157 PolarHBondContact O-N 3.4Å; L155-N157 VanDerWaalsContact C-N 3.28Å; L155-N157 PolarHBondContact O-N 2.86Å; N157-R161 VanDerWaalsContact O-CB 3.3Å; N157-R161 WeakPolarHBondContact O-CB 3.49Å; N157-R161 PolarHBondContact O-N 3.49Å
158	V	65.3	Low	68	Low	77 Å²	77	107 Å²	107	47%	0.467	53%	0.528	S	S	.	.	H	α-helix	trans	-69.3	-43	174.4	169.6	0	0	0	0	111.2	E154 L155 Q156 R161 G162	E154-V158 WeakPolarHBondContact O-CG2 3.28Å; E154-V158 PolarHBondContact O-N 3.13Å; E154-V158 VanDerWaalsContact O-N 3.09Å; L155-V158 PolarHBondContact O-N 3.08Å; L155-V158 VanDerWaalsContact O-N 3.1Å; Q156-V158 VanDerWaalsContact C-N 3.31Å; Q156-V158 PolarHBondContact O-N 3.18Å; V158-R161 PolarHBondContact O-N 2.95Å; V158-G162 PolarHBondContact O-N 3.34Å
159	E	60.8	Low	67.8	Low	113 Å²	113	104.9 Å²	104.9	53%	0.528	53%	0.526	S	S	.	.	H	α-helix	trans	-65.6	-42.7	177.7	-162.9	-168.5	144.8	0	0	112	L155 Q156 R161 G162 K163	L155-E159 PolarHBondContact O-N 2.76Å; Q156-E159 PolarHBondContact O-N 2.94Å; E159-R161 PolarHBondContact O-N 3.1Å; E159-G162 PolarHBondContact O-N 3.24Å; E159-K163 WeakPolarHBondContact O-CG 3.43Å; E159-K163 PolarHBondContact O-N 2.84Å; E159-K163 VanDerWaalsContact OE1-CE 3.28Å; E159-K163 WeakPolarHBondContact OE1-CE 3.43Å; E159-K163 IonicContact OE1-NZ 3.51Å; E159-K163 PolarHBondContact OE1-NZ 3.35Å
160	V	58.2	Low	67.5	Low	85 Å²	85	105.3 Å²	105.3	52%	0.515	53%	0.525	S	S	.	.	H	α-helix	trans	-59.3	-46	172.6	169	0	0	0	0	110.6	Q156 G162 K163 V164	Q156-V160 WeakPolarHBondContact O-CB 3.46Å; Q156-V160 VanDerWaalsContact O-CG2 3.32Å; Q156-V160 WeakPolarHBondContact O-CG2 3.4Å; Q156-V160 PolarHBondContact O-N 3.38Å; V160-G162 VanDerWaalsContact C-N 3.31Å; V160-G162 PolarHBondContact O-N 3.03Å; V160-K163 PolarHBondContact O-N 3.15Å; V160-V164 HydrophobicContact CG1-CG2 4.38Å; V160-V164 WeakPolarHBondContact O-CG2 3.3Å; V160-V164 PolarHBondContact O-N 3.09Å
161	R	57.8	Low	67.6	Low	171 Å²	171	101.4 Å²	101.4	65%	0.645	52%	0.515	S	S	*	.	H	α-helix	trans	-63.6	-35.4	178.3	-164	177.4	72.2	-125.3	1.4	112.4	N157 V158 E159 G165	N157-R161 VanDerWaalsContact O-CB 3.3Å; N157-R161 WeakPolarHBondContact O-CB 3.49Å; N157-R161 PolarHBondContact O-N 3.49Å; V158-R161 PolarHBondContact O-N 2.95Å; E159-R161 PolarHBondContact O-N 3.1Å; R161-G165 PolarHBondContact O-N 3.36Å; R161-G165 VanDerWaalsContact O-N 3.16Å
162	G	63.6	Low	67.5	Low	41 Å²	41	101.1 Å²	101.1	42%	0.423	52%	0.519	S	S	.	.	H	α-helix	trans	-63.2	-46	171.5	0	0	0	0	0	112.7	V158 E159 V160 G165 I166	V158-G162 PolarHBondContact O-N 3.34Å; E159-G162 PolarHBondContact O-N 3.24Å; V160-G162 VanDerWaalsContact C-N 3.31Å; V160-G162 PolarHBondContact O-N 3.03Å; G162-G165 PolarHBondContact O-N 3.16Å; G162-I166 WeakPolarHBondContact O-CG1 3.43Å; G162-I166 PolarHBondContact O-N 3.27Å
163	K	65.3	Low	67.6	Low	111 Å²	111	97.6 Å²	97.6	48%	0.483	51%	0.512	S	S	.	.	H	α-helix	trans	-63.6	-40.9	176.4	-73.2	168.9	173.9	172	0	112.3	E159 V160 G165 I166 F167	E159-K163 WeakPolarHBondContact O-CG 3.43Å; E159-K163 PolarHBondContact O-N 2.84Å; E159-K163 VanDerWaalsContact OE1-CE 3.28Å; E159-K163 WeakPolarHBondContact OE1-CE 3.43Å; E159-K163 IonicContact OE1-NZ 3.51Å; E159-K163 PolarHBondContact OE1-NZ 3.35Å; V160-K163 PolarHBondContact O-N 3.15Å; K163-G165 PolarHBondContact O-N 3.31Å; K163-I166 PolarHBondContact O-N 3.27Å; K163-F167 WeakPolarHBondContact O-CD2 3.35Å; K163-F167 PolarHBondContact O-N 2.87Å; K163-F167 VanDerWaalsContact O-N 3.09Å
164	V	68.3	Low	67.6	Low	81 Å²	81	93.7 Å²	93.7	49%	0.491	50%	0.503	S	S	.	.	H	α-helix	trans	-58.5	-47.4	174.8	169.1	0	0	0	0	111.3	V160 I166 F167 E168	V160-V164 HydrophobicContact CG1-CG2 4.38Å; V160-V164 WeakPolarHBondContact O-CG2 3.3Å; V160-V164 PolarHBondContact O-N 3.09Å; V164-I166 VanDerWaalsContact C-N 3.29Å; V164-I166 PolarHBondContact O-N 3.49Å; V164-F167 PolarHBondContact O-N 3.18Å; V164-F167 VanDerWaalsContact O-N 3.15Å; V164-E168 WeakPolarHBondContact O-CB 3.34Å; V164-E168 PolarHBondContact O-N 2.96Å
165	G	71.1	Confident	67.8	Low	38 Å²	38	97.2 Å²	97.2	39%	0.392	51%	0.513	S	S	.	.	H	α-helix	trans	-60.6	-34.9	178.4	0	0	0	0	0	113.9	R161 G162 K163 A169	R161-G165 PolarHBondContact O-N 3.36Å; R161-G165 VanDerWaalsContact O-N 3.16Å; G162-G165 PolarHBondContact O-N 3.16Å; K163-G165 PolarHBondContact O-N 3.31Å; G165-A169 WeakPolarHBondContact O-CB 3.38Å; G165-A169 PolarHBondContact O-N 3.27Å
166	I	71.7	Confident	67.9	Low	122 Å²	122	94.2 Å²	94.2	63%	0.626	50%	0.503	S	S	*	.	H	α-helix	trans	-68.4	-42.8	175.2	-64.5	165.4	0	0	0	111	G162 K163 V164 H170	G162-I166 WeakPolarHBondContact O-CG1 3.43Å; G162-I166 PolarHBondContact O-N 3.27Å; K163-I166 PolarHBondContact O-N 3.27Å; V164-I166 VanDerWaalsContact C-N 3.29Å; V164-I166 PolarHBondContact O-N 3.49Å; I166-H170 PolarHBondContact O-N 3.01Å; I166-H170 VanDerWaalsContact O-N 3.1Å
167	F	64.4	Low	68.4	Low	146 Å²	146	96.3 Å²	96.3	64%	0.64	51%	0.513	S	S	*	.	H	α-helix	trans	-66.4	-40	175.3	-92.1	-89.6	0	0	0	112.6	K163 V164 H170 I171	K163-F167 WeakPolarHBondContact O-CD2 3.35Å; K163-F167 PolarHBondContact O-N 2.87Å; K163-F167 VanDerWaalsContact O-N 3.09Å; V164-F167 PolarHBondContact O-N 3.18Å; V164-F167 VanDerWaalsContact O-N 3.15Å; F167-H170 WeakPolarHBondContact O-CB 3.38Å; F167-H170 PolarHBondContact O-N 3.5Å; F167-I171 VanDerWaalsContact O-CG1 3.31Å; F167-I171 WeakPolarHBondContact O-CG1 3.38Å; F167-I171 PolarHBondContact O-N 2.9Å
168	E	72.1	Confident	68.6	Low	128 Å²	128	95.3 Å²	95.3	60%	0.598	51%	0.511	S	S	*	.	H	α-helix	trans	-66.2	-39.5	178.4	-174	166.1	-138.2	0	0	112.1	V164 I171 S172	V164-E168 WeakPolarHBondContact O-CB 3.34Å; V164-E168 PolarHBondContact O-N 2.96Å; E168-I171 PolarHBondContact O-N 3.39Å; E168-S172 WeakPolarHBondContact O-CB 3.46Å; E168-S172 PolarHBondContact O-N 3.4Å; E168-S172 PolarHBondContact O-OG 2.59Å
169	A	71.7	Confident	68.5	Low	65 Å²	65	96.8 Å²	96.8	54%	0.537	52%	0.515	S	S	.	.	H	α-helix	trans	-61.7	-42.9	170.7	0	0	0	0	0	112	G165 S172 G173	G165-A169 WeakPolarHBondContact O-CB 3.38Å; G165-A169 PolarHBondContact O-N 3.27Å; A169-S172 PolarHBondContact O-N 3.1Å; A169-G173 PolarHBondContact O-N 3.27Å
170	H	71.6	Confident	68.2	Low	130 Å²	130	96.8 Å²	96.8	60%	0.602	52%	0.519	S	S	*	.	H	α-helix	trans	-63.1	-48	177.3	-159.8	137	0	0	0	111.5	I166 F167 S172 G173 I174	I166-H170 PolarHBondContact O-N 3.01Å; I166-H170 VanDerWaalsContact O-N 3.1Å; F167-H170 WeakPolarHBondContact O-CB 3.38Å; F167-H170 PolarHBondContact O-N 3.5Å; H170-S172 VanDerWaalsContact C-N 3.28Å; H170-S172 PolarHBondContact O-N 3.09Å; H170-G173 PolarHBondContact O-N 3.02Å; H170-I174 PolarHBondContact O-N 3.37Å
171	I	75.1	Confident	68.2	Low	78 Å²	78	96.2 Å²	96.2	40%	0.4	52%	0.518	S	S	.	.	H	α-helix	trans	-60.7	-39.1	176.9	-69.3	164.7	0	0	0	111	F167 E168 I174 R175	F167-I171 VanDerWaalsContact O-CG1 3.31Å; F167-I171 WeakPolarHBondContact O-CG1 3.38Å; F167-I171 PolarHBondContact O-N 2.9Å; E168-I171 PolarHBondContact O-N 3.39Å; I171-I174 PolarHBondContact O-N 2.99Å; I171-R175 WeakPolarHBondContact O-CG 3.44Å; I171-R175 PolarHBondContact O-N 3.46Å
172	S	72.6	Confident	67.8	Low	62 Å²	62	94.5 Å²	94.5	43%	0.434	52%	0.518	S	S	.	.	H	α-helix	trans	-65.3	-40.5	176.1	-59.6	0	0	0	0	112.2	E168 A169 H170 R175 A176	E168-S172 WeakPolarHBondContact O-CB 3.46Å; E168-S172 PolarHBondContact O-N 3.4Å; E168-S172 PolarHBondContact O-OG 2.59Å; A169-S172 PolarHBondContact O-N 3.1Å; H170-S172 VanDerWaalsContact C-N 3.28Å; H170-S172 PolarHBondContact O-N 3.09Å; S172-R175 PolarHBondContact O-N 3.4Å; S172-A176 PolarHBondContact O-N 3.41Å
173	G	76.8	Confident	67.1	Low	35 Å²	35	99.2 Å²	99.2	36%	0.361	53%	0.533	S	S	.	.	H	α-helix	trans	-60.3	-44.2	172.7	0	0	0	0	0	113	A169 H170 A176 Q177	A169-G173 PolarHBondContact O-N 3.27Å; H170-G173 PolarHBondContact O-N 3.02Å; G173-A176 PolarHBondContact O-N 2.91Å; G173-Q177 WeakPolarHBondContact O-CG 3.48Å; G173-Q177 PolarHBondContact O-N 3.13Å; G173-Q177 VanDerWaalsContact O-N 3.08Å
174	I	73.9	Confident	66.1	Low	86 Å²	86	101.6 Å²	101.6	44%	0.441	55%	0.546	S	S	.	.	H	α-helix	trans	-61.8	-46.1	175.6	-67.3	169.2	0	0	0	110.8	H170 I171 A176 Q177 V178	H170-I174 PolarHBondContact O-N 3.37Å; I171-I174 PolarHBondContact O-N 2.99Å; I174-A176 VanDerWaalsContact C-N 3.3Å; I174-A176 PolarHBondContact O-N 3.24Å; I174-Q177 PolarHBondContact O-N 3.44Å; I174-Q177 VanDerWaalsContact O-N 3.13Å; I174-V178 WeakPolarHBondContact O-CG2 3.48Å; I174-V178 PolarHBondContact O-N 3.22Å
175	R	74.6	Confident	64.9	Low	169 Å²	169	108.6 Å²	108.6	64%	0.638	56%	0.563	S	S	*	*	H	α-helix	trans	-59.5	-40.2	177.1	-71.4	175.9	-173	178.5	5.1	112.2	I171 S172 Q177 V178 L179	I171-R175 WeakPolarHBondContact O-CG 3.44Å; I171-R175 PolarHBondContact O-N 3.46Å; S172-R175 PolarHBondContact O-N 3.4Å; R175-Q177 VanDerWaalsContact C-N 3.35Å; R175-Q177 PolarHBondContact O-N 3Å; R175-V178 PolarHBondContact O-N 3.19Å; R175-L179 PolarHBondContact O-N 3.38Å
176	A	69.2	Low	63.1	Low	47 Å²	47	112.4 Å²	112.4	39%	0.388	58%	0.584	S	S	.	*	H	α-helix	trans	-64.6	-36.4	175.9	0	0	0	0	0	112.6	S172 G173 I174 N180	S172-A176 PolarHBondContact O-N 3.41Å; G173-A176 PolarHBondContact O-N 2.91Å; I174-A176 VanDerWaalsContact C-N 3.3Å; I174-A176 PolarHBondContact O-N 3.24Å; A176-N180 PolarHBondContact O-N 3.25Å; A176-N180 PolarHBondContact O-ND2 3.34Å
177	Q	67.8	Low	62	Low	144 Å²	144	112.3 Å²	112.3	67%	0.673	59%	0.591	S	S	*	*	H	α-helix	trans	-69.8	-37.8	175.4	-70.2	176.7	0.8	0	0	112.6	G173 I174 R175 S181	G173-Q177 WeakPolarHBondContact O-CG 3.48Å; G173-Q177 PolarHBondContact O-N 3.13Å; G173-Q177 VanDerWaalsContact O-N 3.08Å; I174-Q177 PolarHBondContact O-N 3.44Å; I174-Q177 VanDerWaalsContact O-N 3.13Å; R175-Q177 VanDerWaalsContact C-N 3.35Å; R175-Q177 PolarHBondContact O-N 3Å; Q177-S181 PolarHBondContact O-N 3.37Å; Q177-S181 PolarHBondContact O-OG 3.36Å
178	V	69.2	Low	60.5	Low	73 Å²	73	117.3 Å²	117.3	44%	0.442	61%	0.606	S	S	.	*	H	α-helix	trans	-64.1	-49	174.7	175	0	0	0	0	111	I174 R175 N180 S181 E182	I174-V178 WeakPolarHBondContact O-CG2 3.48Å; I174-V178 PolarHBondContact O-N 3.22Å; R175-V178 PolarHBondContact O-N 3.19Å; V178-N180 VanDerWaalsContact C-N 3.31Å; V178-N180 PolarHBondContact O-N 2.96Å; V178-S181 WeakPolarHBondContact CA-OG 3.38Å; V178-S181 PolarHBondContact O-N 2.91Å; V178-S181 PolarHBondContact O-OG 3.28Å; V178-E182 HydrophobicContact CG1-CG 4.48Å; V178-E182 PolarHBondContact O-N 3.41Å
179	L	62.4	Low	58.6	Low	108 Å²	108	118 Å²	118	57%	0.565	62%	0.619	S	S	*	*	H	α-helix	trans	-58.8	-39.9	178.3	-76.9	164.3	0	0	0	112.9	R175 S181 L183	R175-L179 PolarHBondContact O-N 3.38Å; L179-S181 VanDerWaalsContact C-N 3.28Å; L179-S181 PolarHBondContact O-N 2.93Å; L179-L183 WeakPolarHBondContact O-CG 3.31Å; L179-L183 PolarHBondContact O-N 2.95Å
180	N	55.9	Low	56.7	Low	113 Å²	113	121.9 Å²	121.9	60%	0.604	64%	0.636	S	S	*	*	H	α-helix	trans	-69.8	-21.8	176.4	-81.3	-73.5	0	0	0	113.8	A176 V178	A176-N180 PolarHBondContact O-N 3.25Å; A176-N180 PolarHBondContact O-ND2 3.34Å; V178-N180 VanDerWaalsContact C-N 3.31Å; V178-N180 PolarHBondContact O-N 2.96Å
181	S	56.2	Low	54.8	Low	72 Å²	72	127.7 Å²	127.7	50%	0.503	65%	0.653	S	S	.	*	H	α-helix	trans	-92.9	-23.1	177.4	45.5	0	0	0	0	113.6	Q177 V178 L179	Q177-S181 PolarHBondContact O-N 3.37Å; Q177-S181 PolarHBondContact O-OG 3.36Å; V178-S181 WeakPolarHBondContact CA-OG 3.38Å; V178-S181 PolarHBondContact O-N 2.91Å; V178-S181 PolarHBondContact O-OG 3.28Å; L179-S181 VanDerWaalsContact C-N 3.28Å; L179-S181 PolarHBondContact O-N 2.93Å
182	E	51	Low	52.7	Low	135 Å²	135	135.4 Å²	135.4	63%	0.631	68%	0.677	S	S	*	*	H	α-helix	trans	-71.3	-36	169	-69.9	-169.5	124.9	0	0	112.6	V178 Q184 R185	V178-E182 HydrophobicContact CG1-CG 4.48Å; V178-E182 PolarHBondContact O-N 3.41Å; E182-Q184 PolarHBondContact O-N 3.37Å; E182-R185 PolarHBondContact O-N 2.92Å
183	L	49	Very low	50.8	Low	141 Å²	141	136.9 Å²	136.9	74%	0.738	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-5.5	177.8	-75.4	168.5	0	0	0	114.9	L179	L179-L183 WeakPolarHBondContact O-CG 3.31Å; L179-L183 PolarHBondContact O-N 2.95Å
184	Q	43.1	Very low	48.5	Very low	161 Å²	161	142.2 Å²	142.2	75%	0.752	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	13.1	-178.8	-71.6	-67.5	-38	0	0	114.4	E182	E182-Q184 PolarHBondContact O-N 3.37Å
185	R	42.8	Very low	46.4	Very low	227 Å²	227	143.4 Å²	143.4	86%	0.857	73%	0.734	S	S	*	*			trans	-118.2	105	179.1	-71.6	-173.1	172.7	-175.4	-0.9	113.5	E182	E182-R185 PolarHBondContact O-N 2.92Å
186	S	34.8	Very low	44.5	Very low	118 Å²	118	144.2 Å²	144.2	83%	0.825	75%	0.745	S	S	*	*			trans	-76.7	142.9	175.7	-170.2	0	0	0	0	112.4
187	P	47	Very low	42.5	Very low	121 Å²	121	148 Å²	148	79%	0.786	77%	0.77	S	S	*	*			trans	-81	155.2	-169.3	31.8	-36.7	0	0	0	114.9
188	R	33.4	Very low	40.6	Very low	251 Å²	251	146 Å²	146	95%	0.947	77%	0.772	S	S	*	*			trans	-116.3	151.9	168.4	-87.7	-175.5	171.4	172.1	-1.4	111.7
189	T	32.7	Very low	38.7	Very low	143 Å²	143	147.6 Å²	147.6	88%	0.877	79%	0.786	S	S	*	*			trans	-85	153.3	-168.1	45.8	0	0	0	0	115.1
190	T	32.1	Very low	37.4	Very low	146 Å²	146	148.5 Å²	148.5	90%	0.896	80%	0.798	S	S	*	*			trans	-68.1	152.4	179.1	-0.6	0	0	0	0	113.8
191	R	30.7	Very low	36.6	Very low	252 Å²	252	148.4 Å²	148.4	95%	0.951	80%	0.804	S	S	*	*			trans	-127.9	142.9	164.1	-163.9	172.5	-175.6	-178.1	1.7	111.1
192	R	30.4	Very low	35.4	Very low	239 Å²	239	149.8 Å²	149.8	90%	0.902	81%	0.813	S	S	*	*			trans	-90.3	151.7	-172.6	-156.8	-177.5	-149.5	171.2	5.9	111.8
193	A	33.3	Very low	34.4	Very low	93 Å²	93	151.8 Å²	151.8	77%	0.769	83%	0.827	S	S	*	*			trans	-82.8	157.5	172.3	0	0	0	0	0	112.7
194	T	28.1	Very low	33.3	Very low	147 Å²	147	148.6 Å²	148.6	90%	0.902	83%	0.829	S	S	*	*			trans	-147.7	148.3	171.7	41.5	0	0	0	0	110.4
195	S	31.6	Very low	32.7	Very low	111 Å²	111	148.2 Å²	148.2	78%	0.776	83%	0.832	S	S	*	*			trans	-117.5	154.8	-175.1	51.6	0	0	0	0	113.1
196	Q	33.8	Very low	32.1	Very low	186 Å²	186	143.8 Å²	143.8	87%	0.869	83%	0.83	S	S	*	*			trans	16.4	123.6	153	-57.6	177.1	4.4	0	0	119.7
197	S	27.4	Very low	31.8	Very low	128 Å²	128	145.3 Å²	145.3	90%	0.895	83%	0.828	S	S	*	*				-172.8	-177.7	110.6	59.5	0	0	0	0	110.7
198	S	27.9	Very low	30.9	Very low	102 Å²	102	145.9 Å²	145.9	71%	0.713	82%	0.824	S	S	*	*			trans	-113.2	154.7	-163.3	53.8	0	0	0	0	115.3
199	S	29.8	Very low	30.5	Very low	106 Å²	106	142 Å²	142	74%	0.741	82%	0.816	S	S	*	*			trans	54.6	120.4	145.3	60.9	0	0	0	0	121.5
200	P	34.5	Very low	30.3	Very low	126 Å²	126	142.4 Å²	142.4	82%	0.818	81%	0.813	S	S	*	*			trans	-115.8	148.3	154.7	37.6	-27.9	0	0	0	113.4
201	P	39.8	Very low	30.9	Very low	112 Å²	112	140.6 Å²	140.6	73%	0.727	80%	0.804	S	S	*	*			trans	-106.9	152.8	167.9	37.5	-31	0	0	0	114.2
202	S	29.2	Very low	30.9	Very low	101 Å²	101	137 Å²	137	71%	0.706	80%	0.8	S	S	*	*			trans	42.3	114.7	149.9	63.3	0	0	0	0	121.5
203	L	30.1	Very low	30.7	Very low	177 Å²	177	132.5 Å²	132.5	93%	0.927	80%	0.799	S	S	*	*				173.7	141.5	108.8	-96.1	156.6	0	0	0	111.9
204	G	27.2	Very low	30.6	Very low	74 Å²	74	136.6 Å²	136.6	76%	0.763	80%	0.802	S	S	*	*			trans	145.1	102.1	173.9	0	0	0	0	0	113.6
205	N	29.5	Very low	31.6	Very low	153 Å²	153	134 Å²	134	82%	0.818	79%	0.788	S	S	*	*			trans	-80.4	155.2	-179.8	-59.1	-24.2	0	0	0	112.2
206	T	30.9	Very low	31.6	Very low	134 Å²	134	136.3 Å²	136.3	82%	0.822	79%	0.787	S	S	*	*				-171.4	156.3	118.1	-73	0	0	0	0	110.5
207	L	27.5	Very low	31.3	Very low	150 Å²	150	133 Å²	133	79%	0.785	78%	0.779	S	S	*	*			trans	-53.9	167.1	175.1	-63.7	129.9	0	0	0	113.2
208	L	29.2	Very low	31.3	Very low	132 Å²	132	132.2 Å²	132.2	69%	0.691	77%	0.769	S	S	*	*			cis	-163.1	155	39	-166.1	74.3	0	0	0	113.2
209	E	25.9	Very low	31.3	Very low	170 Å²	170	136.8 Å²	136.8	79%	0.794	78%	0.776	S	S	*	*			trans	43.1	128.7	153.5	-76.1	171.6	157.4	0	0	125.5
210	N	26.9	Very low	31.5	Very low	152 Å²	152	137.5 Å²	137.5	81%	0.813	78%	0.775	S	S	*	*			trans	-79.8	170.7	148.9	-100.5	-33.5	0	0	0	109.6
211	P	45.4	Very low	32.1	Very low	108 Å²	108	137.2 Å²	137.2	70%	0.701	77%	0.773	S	S	*	*			cis	-154.3	172.7	40.1	43.7	-22.3	0	0	0	120.2
212	M	30	Very low	31.8	Very low	175 Å²	175	137 Å²	137	86%	0.862	77%	0.774	S	S	*	*			trans	39.2	124	142.2	-70.2	175.3	148.1	0	0	122.2
213	T	27.3	Very low	31.9	Very low	145 Å²	145	139 Å²	139	89%	0.89	78%	0.782	S	S	*	*				-158.6	159.5	118.1	-0.9	0	0	0	0	114
214	H	31.3	Very low	32	Very low	179 Å²	179	134.5 Å²	134.5	83%	0.829	77%	0.77	S	S	*	*			trans	-150	175.2	178.8	-113.8	-29.9	0	0	0	106.2
215	P	48.7	Very low	32.5	Very low	94 Å²	94	139.1 Å²	139.1	61%	0.61	77%	0.772	S	S	*	*			cis	-138.7	-163.8	-10.6	25.2	2	0	0	0	114.2
216	Q	30.5	Very low	32.5	Very low	159 Å²	159	139.7 Å²	139.7	74%	0.743	78%	0.775	S	S	*	*			trans	98.6	125.5	148.3	-54.6	-57.8	4.6	0	0	124.3
217	V	28.7	Very low	32.7	Very low	116 Å²	116	136.9 Å²	136.9	70%	0.703	77%	0.773	S	S	*	*			trans	70.8	128.6	131.8	175.2	0	0	0	0	118.2
218	T	27.8	Very low	33	Very low	111 Å²	111	141.9 Å²	141.9	68%	0.681	78%	0.781	S	S	*	*				-173.3	142.3	67.1	-29.9	0	0	0	0	116.2
219	K	28.3	Very low	33.3	Very low	199 Å²	199	144.7 Å²	144.7	87%	0.865	79%	0.791	S	S	*	*			trans	49.4	153.6	145.5	-72.6	173	-172.5	174	0	126.6
220	V	33.2	Very low	33.8	Very low	120 Å²	120	143 Å²	143	73%	0.727	79%	0.792	S	S	*	*			trans	-118.5	162.1	163.5	-152.9	0	0	0	0	109.6
221	P	45.9	Very low	34.4	Very low	120 Å²	120	144.1 Å²	144.1	78%	0.779	79%	0.792	S	S	*	*				-147.1	175.3	103.8	40.4	-25.6	0	0	0	114.2
222	S	35.4	Very low	33.9	Very low	107 Å²	107	147.2 Å²	147.2	75%	0.748	80%	0.797	S	S	*	*			cis	119.7	87.1	-9.9	-59.8	0	0	0	0	117.7
223	V	29.6	Very low	33.9	Very low	143 Å²	143	142 Å²	142	87%	0.867	79%	0.788	S	S	*	*			trans	-151.6	113.5	168	151.6	0	0	0	0	107.6
224	A	33.3	Very low	34.1	Very low	83 Å²	83	141.2 Å²	141.2	69%	0.686	78%	0.783	S	S	*	*				86.3	147.2	72.5	0	0	0	0	0	113.6
225	Q	37	Very low	34.1	Very low	172 Å²	172	139.7 Å²	139.7	80%	0.804	78%	0.778	S	S	*	*			cis	-164.9	149.9	-0	-144.1	173.1	-6.7	0	0	112.5
226	N	30.7	Very low	33.1	Very low	165 Å²	165	141.3 Å²	141.3	88%	0.882	78%	0.777	S	S	*	*			trans	156.8	151.4	137.4	-84.4	-17.2	0	0	0	113.7
227	G	34.2	Very low	33.1	Very low	74 Å²	74	142.5 Å²	142.5	76%	0.763	78%	0.775	S	S	*	*			trans	-177.3	-172.4	178.5	0	0	0	0	0	113.1
228	R	33.7	Very low	33.2	Very low	255 Å²	255	143 Å²	143	96%	0.962	77%	0.773	S	S	*	*			trans	-161	153.3	166.8	-108.8	-176.9	-173.6	-140	-0.2	111.3
229	E	36.2	Very low	33.3	Very low	192 Å²	192	145.3 Å²	145.3	90%	0.897	78%	0.778	S	S	*	*			trans	-136.5	171.7	-170.1	-61.2	171.3	132.9	0	0	112.3
230	V	35.4	Very low	33.4	Very low	135 Å²	135	143.8 Å²	143.8	82%	0.818	77%	0.771	S	S	*	*			trans	166.7	109.5	153.6	150.7	0	0	0	0	104.8
231	E	40.1	Very low	33.1	Very low	174 Å²	174	145.4 Å²	145.4	81%	0.813	77%	0.771	S	S	*	*				65.5	138.3	69.2	-65.1	-105.3	106.5	0	0	112.9
232	E	34.3	Very low	32.3	Very low	174 Å²	174	143.7 Å²	143.7	81%	0.813	78%	0.775	S	S	*	*			cis	-112.9	-176.8	0.5	-73.8	-175.4	72.7	0	0	110.9
233	G	30.2	Very low	31.9	Very low	64 Å²	64	142.4 Å²	142.4	66%	0.66	78%	0.779	S	S	*	*			cis	140.1	162.2	-6.9	0	0	0	0	0	113.9
234	V	32	Very low	32	Very low	130 Å²	130	144.2 Å²	144.2	79%	0.788	78%	0.78	S	S	*	*			trans	68.3	151.3	160.5	176.9	0	0	0	0	119.1
235	M	30.2	Very low	31.9	Very low	146 Å²	146	147.2 Å²	147.2	72%	0.719	78%	0.784	S	S	*	*			cis	-170.1	137.9	-41.4	-169.8	156.7	69.6	0	0	112.4
236	E	29.2	Very low	31.6	Very low	128 Å²	128	148 Å²	148	60%	0.598	79%	0.788	S	S	*	*			trans	67.4	159.7	155.6	-81.6	-173.4	124.3	0	0	121.2
237	R	30	Very low	31.5	Very low	185 Å²	185	144 Å²	144	70%	0.698	79%	0.786	S	S	*	*			cis	-160.1	147.2	13	-130	167.1	-154.8	164.1	28.4	115.3
238	L	29.9	Very low	31.3	Very low	126 Å²	126	147.8 Å²	147.8	66%	0.66	78%	0.784	S	S	*	*			trans	54	130.3	142.6	-73.7	165	0	0	0	125.6
239	M	30.2	Very low	31.2	Very low	159 Å²	159	142.4 Å²	142.4	78%	0.783	77%	0.767	S	S	*	*			trans	70.1	156.1	137.5	-59.3	-75.9	-178.4	0	0	119.2
240	K	30	Very low	30.9	Very low	168 Å²	168	140.1 Å²	140.1	73%	0.73	76%	0.761	S	S	*	*			cis	-147.2	-176.3	-2.4	-139.7	-165.5	-176.8	-126.9	0	112.3
241	E	27.9	Very low	30.8	Very low	154 Å²	154	138 Å²	138	72%	0.72	75%	0.753	S	S	*	*			trans	-65.8	152.4	-179.1	-52.6	143.4	108.5	0	0	115.9
242	G	28.1	Very low	30.2	Very low	83 Å²	83	137 Å²	137	86%	0.856	75%	0.752	S	S	*	*				109.2	147	123	0	0	0	0	0	119.2
243	G	28.5	Very low	30.1	Very low	81 Å²	81	132.4 Å²	132.4	84%	0.835	75%	0.745	S	S	*	*			trans	117.5	120.9	160.8	0	0	0	0	0	116.2
244	M	31.2	Very low	30.2	Very low	180 Å²	180	135.5 Å²	135.5	89%	0.887	75%	0.75	S	S	*	*			trans	-93.6	149.9	154.1	-64.5	156	55.5	0	0	107.6
245	D	31.2	Very low	30.3	Very low	146 Å²	146	138.1 Å²	138.1	78%	0.781	75%	0.751	S	S	*	*				171.8	-170.6	95.7	-148.3	12.3	0	0	0	111.9
246	E	31.3	Very low	30.4	Very low	188 Å²	188	134.9 Å²	134.9	88%	0.879	74%	0.743	S	S	*	*			trans	-67	164.8	-170.4	-52.1	-168.6	149	0	0	117.4
247	G	28.6	Very low	30.8	Very low	82 Å²	82	135.8 Å²	135.8	85%	0.845	75%	0.752	S	S	*	*			trans	-179.5	111.5	167.8	0	0	0	0	0	115.2
248	E	30.2	Very low	31.1	Very low	153 Å²	153	132.4 Å²	132.4	72%	0.715	75%	0.752	S	S	*	*			trans	-91.1	162.6	177.5	-87.4	-164.2	103.4	0	0	115
249	K	31.5	Very low	31.8	Very low	143 Å²	143	134 Å²	134	62%	0.622	76%	0.756	S	S	*	*			trans	78	120	143.2	-80.7	155.2	-179.4	146.4	0	121.8
250	N	30	Very low	32.1	Very low	144 Å²	144	131.7 Å²	131.7	77%	0.77	75%	0.747	S	S	*	*			trans	70.9	139.5	133.8	-53.4	-12.3	0	0	0	118.1
251	S	33.5	Very low	32.6	Very low	91 Å²	91	132 Å²	132	64%	0.636	75%	0.748	S	S	*	*			cis	-174.9	171	46.1	48.6	0	0	0	0	113.6
252	N	27.3	Very low	32.9	Very low	151 Å²	151	130.1 Å²	130.1	81%	0.807	75%	0.747	S	S	*	*			trans	78.1	147.6	155.3	-58.8	-35.3	0	0	0	120.2
253	A	31	Very low	33.1	Very low	79 Å²	79	132.7 Å²	132.7	65%	0.653	74%	0.741	S	S	*	*			cis	-172.6	175.4	-22.5	0	0	0	0	0	110.6
254	V	33.5	Very low	33.3	Very low	128 Å²	128	134.9 Å²	134.9	78%	0.776	73%	0.732	S	S	*	*			trans	72.9	126.1	161.9	174.7	0	0	0	0	115.1
255	K	34	Very low	33.2	Very low	185 Å²	185	131.5 Å²	131.5	80%	0.804	72%	0.718	S	S	*	*			cis	-169.8	174.1	-0.9	-110.4	-168.5	-179.8	-178.2	0	107.5
256	S	31.7	Very low	33.4	Very low	78 Å²	78	131.3 Å²	131.3	55%	0.545	71%	0.712	S	S	.	*			cis	-171.1	136.8	-9.6	42.3	0	0	0	0	112.3
257	N	36.4	Very low	33.4	Very low	148 Å²	148	127.9 Å²	127.9	79%	0.791	70%	0.7	S	S	*	*			trans	69.4	157.9	149.3	-46.6	2.5	0	0	0	117.5
258	T	36.4	Very low	33.4	Very low	114 Å²	114	130.7 Å²	130.7	70%	0.699	70%	0.695	S	S	*	*			cis	-149.5	122.4	18.8	-52.6	0	0	0	0	112.8
259	E	44.7	Very low	33.5	Very low	160 Å²	160	127.7 Å²	127.7	75%	0.748	69%	0.69	S	S	*	*			trans	44.8	155.1	142	-69.9	175.4	-135.2	0	0	122.9
260	N	37.3	Very low	33.4	Very low	109 Å²	109	128.9 Å²	128.9	58%	0.583	70%	0.698	S	S	*	*			cis	-155.6	144.7	9.1	-122.7	-28.5	0	0	0	113.8
261	K	39.8	Very low	33.5	Very low	176 Å²	176	126.9 Å²	126.9	77%	0.765	70%	0.695	S	S	*	*			trans	35	135.5	130.8	-80.5	179.4	-178.2	168.4	0	121.9
262	T	34.8	Very low	33.4	Very low	114 Å²	114	131.5 Å²	131.5	70%	0.699	71%	0.707	S	S	*	*			cis	-156	-136.8	-8.7	-11.5	0	0	0	0	109.4
263	L	31.5	Very low	33.5	Very low	136 Å²	136	129.9 Å²	129.9	71%	0.712	70%	0.703	S	S	*	*			cis	-162.3	131.9	7	-156.3	113.8	0	0	0	112.4
264	I	32.9	Very low	33.4	Very low	127 Å²	127	131.9 Å²	131.9	65%	0.651	71%	0.706	S	S	*	*			trans	33.5	131.7	134.1	-68.8	175.1	0	0	0	119.3
265	D	29.7	Very low	33.2	Very low	110 Å²	110	133.1 Å²	133.1	59%	0.588	71%	0.708	S	S	*	*			cis	-160.6	162.5	1.5	-121.2	-13.2	0	0	0	115
266	Q	34.8	Very low	32.8	Very low	141 Å²	141	135.4 Å²	135.4	66%	0.659	71%	0.712	S	S	*	*			trans	20.9	147.1	133.6	-66.3	173.8	69.6	0	0	120.8
267	N	31.9	Very low	32.6	Very low	116 Å²	116	137.5 Å²	137.5	62%	0.62	72%	0.721	S	S	*	*			cis	-171.4	173.9	-2	-115	4.7	0	0	0	110.8
268	D	29.2	Very low	33.3	Very low	141 Å²	141	135.2 Å²	135.2	75%	0.754	71%	0.714	S	S	*	*			trans	65.8	159.6	145.6	-73.1	-32	0	0	0	119.9
269	C	31.4	Very low	32.9	Very low	90 Å²	90	140.9 Å²	140.9	61%	0.608	73%	0.725	S	S	*	*			cis	-170.8	131.5	-23.7	171.7	0	0	0	0	109.3
270	H	30	Very low	32.1	Very low	168 Å²	168	136.3 Å²	136.3	78%	0.778	72%	0.721	S	S	*	*			trans	52.3	115.6	161.1	-68.8	54.8	0	0	0	118.8
271	S	32.3	Very low	31.8	Very low	103 Å²	103	137.2 Å²	137.2	72%	0.72	73%	0.725	S	S	*	*				87.6	123.4	64.1	-66.7	0	0	0	0	116
272	Q	31.6	Very low	31.4	Very low	187 Å²	187	136.9 Å²	136.9	87%	0.874	72%	0.724	S	S	*	*			trans	68.4	151.6	168.1	-58.7	-170.3	26.5	0	0	116.9
273	T	28.3	Very low	31.2	Very low	118 Å²	118	141.5 Å²	141.5	72%	0.724	73%	0.729	S	S	*	*			cis	162.1	132.6	-17.1	-83.6	0	0	0	0	103.8
274	T	28.2	Very low	31.2	Very low	120 Å²	120	141.5 Å²	141.5	74%	0.736	73%	0.728	S	S	*	*			trans	168	131.6	142.3	-78.7	0	0	0	0	112.8
275	L	31.1	Very low	30.9	Very low	155 Å²	155	143.4 Å²	143.4	81%	0.812	74%	0.738	S	S	*	*			trans	11.8	145.6	149.6	-49.6	174.5	0	0	0	119.6
276	R	24.8	Very low	30.8	Very low	232 Å²	232	142.9 Å²	142.9	88%	0.875	74%	0.741	S	S	*	*			cis	-167.8	168.6	45.6	-150.7	173.2	-171.9	-172.7	2.9	113.8
277	T	28.5	Very low	30.4	Very low	122 Å²	122	140.9 Å²	140.9	75%	0.748	74%	0.742	S	S	*	*			trans	-72.5	-176.7	172.4	45.9	0	0	0	0	113.3
278	P	50.2	Low	30.6	Very low	100 Å²	100	141 Å²	141	65%	0.649	75%	0.751	S	S	*	*			cis	-144.9	-168.4	14.6	29	-0.6	0	0	0	118.2
279	Y	27.6	Very low	31.6	Very low	234 Å²	234	139.1 Å²	139.1	92%	0.918	75%	0.747	S	S	*	*			trans	69.6	151.1	169.2	-66.6	-86.3	0	0	0	118.6
280	G	28.7	Very low	31.8	Very low	64 Å²	64	143.4 Å²	143.4	66%	0.66	76%	0.758	S	S	*	*			cis	163	134.7	-14.9	0	0	0	0	0	117
281	D	30.6	Very low	32	Very low	127 Å²	127	140.8 Å²	140.8	68%	0.679	75%	0.754	S	S	*	*			trans	77	143.8	151.9	-155.1	13.1	0	0	0	121.5
282	K	30.8	Very low	32	Very low	169 Å²	169	141.8 Å²	141.8	74%	0.735	76%	0.761	S	S	*	*			trans	58.4	160.6	166.8	-74.5	139.2	-171.7	153.8	0	121.1
283	R	31.2	Very low	32	Very low	212 Å²	212	136.1 Å²	136.1	80%	0.8	75%	0.753	S	S	*	*			cis	-174	129.1	-46.6	-120.3	-164.8	-178.9	-157.4	2.3	110.4
284	I	31	Very low	32.3	Very low	135 Å²	135	140 Å²	140	69%	0.692	76%	0.76	S	S	*	*			trans	42.6	126.7	152.4	-16.7	175.5	0	0	0	120.8
285	I	27.1	Very low	32.6	Very low	168 Å²	168	143.8 Å²	143.8	86%	0.862	77%	0.769	S	S	*	*				169.6	156.5	117.4	-87.7	166.5	0	0	0	110.6
286	C	28.1	Very low	33.2	Very low	98 Å²	98	142 Å²	142	66%	0.662	77%	0.77	S	S	*	*			trans	-112.5	163.1	-171.2	177.4	0	0	0	0	113.9
287	C	26.7	Very low	34.3	Very low	100 Å²	100	135.6 Å²	135.6	68%	0.676	77%	0.766	S	S	*	*			trans	91.5	98.6	138.1	-57.2	0	0	0	0	118.2
288	S	34.3	Very low	35.3	Very low	117 Å²	117	134.9 Å²	134.9	82%	0.818	76%	0.762	S	S	*	*				53.1	159.6	121.5	-51.4	0	0	0	0	121.9
289	P	52.1	Low	35.2	Very low	103 Å²	103	135.9 Å²	135.9	67%	0.669	76%	0.762	S	S	*	*			cis	-131.1	171.5	5.9	43	-27.7	0	0	0	116.5
290	E	35.5	Very low	36.4	Very low	180 Å²	180	130.4 Å²	130.4	84%	0.841	75%	0.745	S	S	*	*			trans	49.4	138	140	-75.4	174.6	-137.5	0	0	122.4
291	T	33.3	Very low	37.4	Very low	112 Å²	112	133 Å²	133	69%	0.687	74%	0.739	S	S	*	*			cis	-147.7	159.7	11.9	45.5	0	0	0	0	113.7
292	S	32.9	Very low	38.5	Very low	124 Å²	124	132 Å²	132	87%	0.867	73%	0.734	S	S	*	*			trans	72.4	145.2	152.2	80.7	0	0	0	0	120.5
293	G	31.9	Very low	40	Very low	69 Å²	69	128.3 Å²	128.3	71%	0.711	72%	0.718	S	S	*	*			trans	134.2	52	150.4	0	0	0	0	0	121.7
294	K	34.2	Very low	41.6	Very low	199 Å²	199	124.4 Å²	124.4	87%	0.865	71%	0.709	S	S	*	*			trans	64.6	113.9	159.2	-53	174.2	-179.6	177.6	0	119.2
295	H	34.6	Very low	43	Very low	199 Å²	199	123.1 Å²	123.1	92%	0.921	70%	0.699	S	S	*	*			trans	-153.9	135.3	131	-97.6	-79.6	0	0	0	107.5
296	S	43.3	Very low	44.8	Very low	118 Å²	118	120.3 Å²	120.3	83%	0.825	69%	0.685	S	S	*	*			trans	-155.3	105.9	-175.5	56.6	0	0	0	0	111.2
297	A	47.3	Very low	46.8	Very low	98 Å²	98	123.1 Å²	123.1	81%	0.81	68%	0.681	S	S	*	*	S	Bend	trans	-160.2	-25.5	174.8	0	0	0	0	0	114.3
298	T	49.2	Very low	48.8	Very low	107 Å²	107	124.4 Å²	124.4	66%	0.656	68%	0.677	S	S	*	*	S	Bend	trans	-113.8	-5.4	-165.7	49	0	0	0	0	115.9
299	D	48.5	Very low	50.5	Low	121 Å²	121	127.7 Å²	127.7	65%	0.647	67%	0.672	S	S	*	*	H	α-helix	trans	-88.3	-27.8	-176.9	-74.5	-29.9	0	0	0	114	K303	D299-K303 VanDerWaalsContact O-CB 3.27Å; D299-K303 WeakPolarHBondContact O-CB 3.48Å; D299-K303 PolarHBondContact O-N 3.23Å
300	E	52.3	Low	51.5	Low	119 Å²	119	129 Å²	129	56%	0.556	67%	0.669	S	S	*	*	H	α-helix	trans	-71.7	-37.5	-177.5	-67.5	-59.8	146.5	0	0	112.5	N302 K303 E304	E300-N302 VanDerWaalsContact C-N 3.34Å; E300-N302 PolarHBondContact O-N 3.02Å; E300-K303 CarbonylContact O-C 3.58Å; E300-K303 WeakPolarHBondContact O-CB 3.36Å; E300-K303 PolarHBondContact O-N 2.83Å; E300-K303 IonicContact OE1-NZ 2.6Å; E300-K303 PolarHBondContact OE1-NZ 2.79Å; E300-K303 IonicContact OE2-NZ 2.65Å; E300-K303 PolarHBondContact OE2-NZ 3.41Å; E300-E304 WeakPolarHBondContact O-CB 3.32Å; E300-E304 PolarHBondContact O-N 3.25Å
301	E	50.8	Low	53.4	Low	117 Å²	117	125.5 Å²	125.5	55%	0.547	65%	0.653	S	S	.	*	H	α-helix	trans	-63.6	-37.3	-179.4	-161.3	-162.3	136.6	0	0	112.6	K303 K305	E301-K303 VanDerWaalsContact C-N 3.35Å; E301-K305 WeakPolarHBondContact O-CG 3.47Å; E301-K305 PolarHBondContact O-N 3.4Å; E301-K305 IonicContact OE1-NZ 2.65Å; E301-K305 PolarHBondContact OE1-NZ 3Å
302	N	52.9	Low	55.3	Low	107 Å²	107	124.9 Å²	124.9	57%	0.572	64%	0.642	S	S	*	*	H	α-helix	trans	-71.7	-30.9	174.5	-78.6	-47.2	0	0	0	112.4	E300 L306	E300-N302 VanDerWaalsContact C-N 3.34Å; E300-N302 PolarHBondContact O-N 3.02Å; N302-L306 WeakPolarHBondContact O-CB 3.06Å; N302-L306 PolarHBondContact O-N 3.2Å; N302-L306 VanDerWaalsContact O-N 3.08Å
303	K	62.2	Low	57.2	Low	92 Å²	92	125.9 Å²	125.9	40%	0.4	63%	0.631	S	S	.	*	H	α-helix	trans	-78.8	-30.6	-179.2	179.8	174	161.8	-130.2	0	112	D299 E300 E301 R307	D299-K303 VanDerWaalsContact O-CB 3.27Å; D299-K303 WeakPolarHBondContact O-CB 3.48Å; D299-K303 PolarHBondContact O-N 3.23Å; E300-K303 CarbonylContact O-C 3.58Å; E300-K303 WeakPolarHBondContact O-CB 3.36Å; E300-K303 PolarHBondContact O-N 2.83Å; E300-K303 IonicContact OE1-NZ 2.6Å; E300-K303 PolarHBondContact OE1-NZ 2.79Å; E300-K303 IonicContact OE2-NZ 2.65Å; E300-K303 PolarHBondContact OE2-NZ 3.41Å; E301-K303 VanDerWaalsContact C-N 3.35Å; K303-R307 WeakPolarHBondContact O-CD 3.48Å; K303-R307 VanDerWaalsContact O-CG 3.3Å; K303-R307 WeakPolarHBondContact O-CG 3.47Å; K303-R307 PolarHBondContact O-N 2.99Å
304	E	66.4	Low	59.6	Low	129 Å²	129	126.8 Å²	126.8	60%	0.603	62%	0.622	S	S	*	*	H	α-helix	trans	-68.5	-50.4	170	-167.8	158.5	-133.7	0	0	110.7	E300 L306 R307 E308	E300-E304 WeakPolarHBondContact O-CB 3.32Å; E300-E304 PolarHBondContact O-N 3.25Å; E304-L306 VanDerWaalsContact C-N 3.26Å; E304-L306 PolarHBondContact O-N 2.99Å; E304-R307 WeakPolarHBondContact O-CA 3.43Å; E304-R307 WeakPolarHBondContact O-CB 3.12Å; E304-R307 PolarHBondContact O-N 3.04Å; E304-E308 PolarHBondContact O-N 3.02Å
305	K	60	Low	61.8	Low	109 Å²	109	125.1 Å²	125.1	47%	0.474	61%	0.611	S	S	.	*	H	α-helix	trans	-60.2	-30.7	174.7	-73.3	168.4	177.8	170.9	0	114	E301 R309	E301-K305 WeakPolarHBondContact O-CG 3.47Å; E301-K305 PolarHBondContact O-N 3.4Å; E301-K305 IonicContact OE1-NZ 2.65Å; E301-K305 PolarHBondContact OE1-NZ 3Å; K305-R309 WeakPolarHBondContact O-CB 3.32Å; K305-R309 PolarHBondContact O-N 3.37Å
306	L	64.4	Low	63.7	Low	109 Å²	109	120.8 Å²	120.8	57%	0.571	59%	0.589	S	S	*	*	H	α-helix	trans	-68	-40.1	171	-98.2	160.4	0	0	0	112.2	N302 E304 R309 E310	N302-L306 WeakPolarHBondContact O-CB 3.06Å; N302-L306 PolarHBondContact O-N 3.2Å; N302-L306 VanDerWaalsContact O-N 3.08Å; E304-L306 VanDerWaalsContact C-N 3.26Å; E304-L306 PolarHBondContact O-N 2.99Å; L306-R309 PolarHBondContact O-N 3.5Å; L306-E310 PolarHBondContact O-N 2.85Å
307	R	69.8	Low	65.1	Low	157 Å²	157	119.5 Å²	119.5	59%	0.592	57%	0.57	S	S	*	*	H	α-helix	trans	-68.9	-44.7	178.6	-74.3	167.2	170.9	-132.4	-10.2	112.6	K303 E304 R309 E310 E311	K303-R307 WeakPolarHBondContact O-CD 3.48Å; K303-R307 VanDerWaalsContact O-CG 3.3Å; K303-R307 WeakPolarHBondContact O-CG 3.47Å; K303-R307 PolarHBondContact O-N 2.99Å; E304-R307 WeakPolarHBondContact O-CA 3.43Å; E304-R307 WeakPolarHBondContact O-CB 3.12Å; E304-R307 PolarHBondContact O-N 3.04Å; R307-R309 PolarHBondContact O-N 3.01Å; R307-E310 PolarHBondContact O-N 3.02Å; R307-E310 VanDerWaalsContact O-N 3.14Å; R307-E311 PolarHBondContact O-N 2.9Å
308	E	69.8	Low	66.8	Low	127 Å²	127	118.7 Å²	118.7	59%	0.593	56%	0.555	S	S	*	*	H	α-helix	trans	-55.7	-40.8	174.1	-67.8	-174.7	129.5	0	0	111.3	E304 E311 E312	E304-E308 PolarHBondContact O-N 3.02Å; E308-E311 PolarHBondContact O-N 2.98Å; E308-E312 WeakPolarHBondContact O-CB 3.28Å; E308-E312 PolarHBondContact O-N 2.8Å
309	R	69.3	Low	68.2	Low	185 Å²	185	119.3 Å²	119.3	70%	0.698	55%	0.55	S	S	*	*	H	α-helix	trans	-71	-32.7	178.6	-162	178.3	-169.2	-153.9	2.3	113.5	K305 L306 R307 K313	K305-R309 WeakPolarHBondContact O-CB 3.32Å; K305-R309 PolarHBondContact O-N 3.37Å; L306-R309 PolarHBondContact O-N 3.5Å; R307-R309 PolarHBondContact O-N 3.01Å; R309-K313 WeakPolarHBondContact O-CB 3.38Å; R309-K313 PolarHBondContact O-N 3.03Å
310	E	72.7	Confident	69.1	Low	131 Å²	131	118.3 Å²	118.3	61%	0.612	55%	0.545	S	S	*	.	H	α-helix	trans	-72.2	-39.9	171.5	-73.1	-170.1	137.1	0	0	111.6	L306 R307 K313 V314	L306-E310 PolarHBondContact O-N 2.85Å; R307-E310 PolarHBondContact O-N 3.02Å; R307-E310 VanDerWaalsContact O-N 3.14Å; E310-K313 WeakPolarHBondContact O-CB 3.27Å; E310-K313 PolarHBondContact O-N 2.91Å; E310-V314 WeakPolarHBondContact O-CG2 3.24Å; E310-V314 PolarHBondContact O-N 3.38Å
311	E	75.6	Confident	70.4	Confident	107 Å²	107	119.8 Å²	119.8	50%	0.5	55%	0.545	S	S	.	.	H	α-helix	trans	-63.7	-43.3	173.8	-77.6	-166.7	-151.8	0	0	112.6	R307 E308 K313 V314 R315	R307-E311 PolarHBondContact O-N 2.9Å; E308-E311 PolarHBondContact O-N 2.98Å; E311-K313 VanDerWaalsContact C-N 3.29Å; E311-K313 PolarHBondContact O-N 3.4Å; E311-V314 PolarHBondContact O-N 2.64Å; E311-R315 VanDerWaalsContact O-CG 3.31Å; E311-R315 WeakPolarHBondContact O-CG 3.08Å; E311-R315 PolarHBondContact O-N 2.9Å; E311-R315 IonicContact OE2-CZ 3.79Å; E311-R315 IonicContact OE2-NH2 3.87Å; E311-R315 PolarHBondContact OE2-NH2 3.32Å
312	E	73.3	Confident	71.9	Confident	98 Å²	98	119.2 Å²	119.2	46%	0.458	54%	0.543	S	S	.	.	H	α-helix	trans	-60.7	-40.7	175.5	-165.7	-162.2	173.3	0	0	111.1	E308 R315 K316	E308-E312 WeakPolarHBondContact O-CB 3.28Å; E308-E312 PolarHBondContact O-N 2.8Å; E312-R315 PolarHBondContact O-N 3.29Å; E312-K316 HydrophobicContact CG-CD 4.45Å; E312-K316 WeakPolarHBondContact O-CG 3.27Å; E312-K316 PolarHBondContact O-N 3.47Å; E312-K316 VanDerWaalsContact O-N 3.09Å; E312-K316 WeakPolarHBondContact OE1-CE 3.46Å; E312-K316 IonicContact OE1-NZ 2.81Å; E312-K316 PolarHBondContact OE1-NZ 3.36Å
313	K	72.1	Confident	72.8	Confident	146 Å²	146	119.6 Å²	119.6	64%	0.635	54%	0.542	S	S	*	.	H	α-helix	trans	-64	-44.2	175.5	-174.3	-173.3	174.7	-167.2	0	111.8	R309 E310 E311 K316 E317	R309-K313 WeakPolarHBondContact O-CB 3.38Å; R309-K313 PolarHBondContact O-N 3.03Å; E310-K313 WeakPolarHBondContact O-CB 3.27Å; E310-K313 PolarHBondContact O-N 2.91Å; E311-K313 VanDerWaalsContact C-N 3.29Å; E311-K313 PolarHBondContact O-N 3.4Å; K313-K316 PolarHBondContact O-N 3.36Å; K313-E317 PolarHBondContact O-N 3.17Å
314	V	83.1	Confident	73.3	Confident	88 Å²	88	119.7 Å²	119.7	53%	0.533	54%	0.544	S	S	.	.	H	α-helix	trans	-64.8	-41	177.4	169.9	0	0	0	0	111.3	E310 E311 K316 E317 V318	E310-V314 WeakPolarHBondContact O-CG2 3.24Å; E310-V314 PolarHBondContact O-N 3.38Å; E311-V314 PolarHBondContact O-N 2.64Å; V314-K316 PolarHBondContact O-N 3.48Å; V314-E317 PolarHBondContact O-N 2.69Å; V314-V318 WeakPolarHBondContact O-CG2 3.42Å; V314-V318 PolarHBondContact O-N 2.86Å
315	R	81.3	Confident	73.9	Confident	164 Å²	164	119.9 Å²	119.9	62%	0.619	54%	0.54	S	S	*	.	H	α-helix	trans	-59.8	-45.9	175.4	-69.9	174	-153.7	-157.6	8	111.5	E311 E312 E317 V318 E319	E311-R315 VanDerWaalsContact O-CG 3.31Å; E311-R315 WeakPolarHBondContact O-CG 3.08Å; E311-R315 PolarHBondContact O-N 2.9Å; E311-R315 IonicContact OE2-CZ 3.79Å; E311-R315 IonicContact OE2-NH2 3.87Å; E311-R315 PolarHBondContact OE2-NH2 3.32Å; E312-R315 PolarHBondContact O-N 3.29Å; R315-E317 VanDerWaalsContact C-N 3.33Å; R315-E317 PolarHBondContact O-N 2.69Å; R315-V318 PolarHBondContact O-N 2.95Å; R315-E319 WeakPolarHBondContact O-CB 3.5Å; R315-E319 PolarHBondContact O-N 3.04Å
316	K	73	Confident	74.7	Confident	108 Å²	108	118.4 Å²	118.4	47%	0.47	54%	0.537	S	S	.	.	H	α-helix	trans	-65.2	-32.7	176.5	-72.3	171	175.9	174.9	0	113.2	E312 K313 V314 N320	E312-K316 HydrophobicContact CG-CD 4.45Å; E312-K316 WeakPolarHBondContact O-CG 3.27Å; E312-K316 PolarHBondContact O-N 3.47Å; E312-K316 VanDerWaalsContact O-N 3.09Å; E312-K316 WeakPolarHBondContact OE1-CE 3.46Å; E312-K316 IonicContact OE1-NZ 2.81Å; E312-K316 PolarHBondContact OE1-NZ 3.36Å; K313-K316 PolarHBondContact O-N 3.36Å; V314-K316 PolarHBondContact O-N 3.48Å; K316-N320 WeakPolarHBondContact O-CB 3.24Å; K316-N320 PolarHBondContact O-N 3.36Å
317	E	73.9	Confident	75.2	Confident	91 Å²	91	119.4 Å²	119.4	43%	0.425	54%	0.539	S	S	.	.	H	α-helix	trans	-71.4	-35.9	173.7	-159.8	-173.8	139.1	0	0	112.3	K313 V314 R315 R321	K313-E317 PolarHBondContact O-N 3.17Å; V314-E317 PolarHBondContact O-N 2.69Å; R315-E317 VanDerWaalsContact C-N 3.33Å; R315-E317 PolarHBondContact O-N 2.69Å; E317-R321 WeakPolarHBondContact O-CB 3Å; E317-R321 WeakPolarHBondContact O-CD 3.24Å; E317-R321 WeakPolarHBondContact O-CG 3.48Å; E317-R321 PolarHBondContact O-N 3.05Å; E317-R321 VanDerWaalsContact O-N 3.09Å; E317-R321 IonicContact OE1-CZ 3.68Å; E317-R321 IonicContact OE1-NE 2.75Å; E317-R321 PolarHBondContact OE1-NE 3.4Å; E317-R321 IonicContact OE1-NH2 2.66Å; E317-R321 PolarHBondContact OE1-NH2 2.79Å
318	V	83.1	Confident	75.5	Confident	80 Å²	80	119.1 Å²	119.1	49%	0.485	54%	0.538	S	S	.	.	H	α-helix	trans	-66.6	-46.1	172.4	172	0	0	0	0	110.9	V314 R315 N320 R321 E322	V314-V318 WeakPolarHBondContact O-CG2 3.42Å; V314-V318 PolarHBondContact O-N 2.86Å; R315-V318 PolarHBondContact O-N 2.95Å; V318-N320 PolarHBondContact O-N 3.04Å; V318-R321 PolarHBondContact O-N 2.73Å; V318-R321 VanDerWaalsContact O-N 3.13Å; V318-E322 WeakPolarHBondContact O-CB 3.12Å; V318-E322 PolarHBondContact O-N 2.88Å
319	E	78.8	Confident	75.8	Confident	120 Å²	120	117 Å²	117	56%	0.561	53%	0.528	S	S	*	.	H	α-helix	trans	-59.8	-44.1	178.4	-170.3	171.5	-160.6	0	0	111.7	R315 E322 M323	R315-E319 WeakPolarHBondContact O-CB 3.5Å; R315-E319 PolarHBondContact O-N 3.04Å; E319-E322 PolarHBondContact O-N 2.79Å; E319-M323 WeakPolarHBondContact O-CB 3.31Å; E319-M323 PolarHBondContact O-N 2.92Å
320	N	66.5	Low	76	Confident	101 Å²	101	115.4 Å²	115.4	54%	0.54	52%	0.522	S	S	.	.	H	α-helix	trans	-62.8	-41.5	172.2	-86.1	19.6	0	0	0	113	K316 V318 E322 M323 E324	K316-N320 WeakPolarHBondContact O-CB 3.24Å; K316-N320 PolarHBondContact O-N 3.36Å; V318-N320 PolarHBondContact O-N 3.04Å; N320-E322 VanDerWaalsContact C-N 3.27Å; N320-E322 PolarHBondContact O-N 2.88Å; N320-M323 PolarHBondContact O-N 2.95Å; N320-E324 PolarHBondContact O-N 2.66Å
321	R	79.6	Confident	75.9	Confident	150 Å²	150	111.9 Å²	111.9	57%	0.566	51%	0.509	S	S	*	.	H	α-helix	trans	-68.9	-25.2	177.7	-73.3	168.9	-178.1	-124.3	9.8	113	E317 V318 R325	E317-R321 WeakPolarHBondContact O-CB 3Å; E317-R321 WeakPolarHBondContact O-CD 3.24Å; E317-R321 WeakPolarHBondContact O-CG 3.48Å; E317-R321 PolarHBondContact O-N 3.05Å; E317-R321 VanDerWaalsContact O-N 3.09Å; E317-R321 IonicContact OE1-CZ 3.68Å; E317-R321 IonicContact OE1-NE 2.75Å; E317-R321 PolarHBondContact OE1-NE 3.4Å; E317-R321 IonicContact OE1-NH2 2.66Å; E317-R321 PolarHBondContact OE1-NH2 2.79Å; V318-R321 PolarHBondContact O-N 2.73Å; V318-R321 VanDerWaalsContact O-N 3.13Å; R321-R325 PolarHBondContact O-N 2.81Å
322	E	82.7	Confident	75.6	Confident	104 Å²	104	112.1 Å²	112.1	49%	0.486	51%	0.514	S	S	.	.	H	α-helix	trans	-77.1	-43.3	172.6	-165.7	134.4	-109.5	0	0	110.4	V318 E319 N320 E324 R325 D326	V318-E322 WeakPolarHBondContact O-CB 3.12Å; V318-E322 PolarHBondContact O-N 2.88Å; E319-E322 PolarHBondContact O-N 2.79Å; N320-E322 VanDerWaalsContact C-N 3.27Å; N320-E322 PolarHBondContact O-N 2.88Å; E322-E324 PolarHBondContact O-N 2.97Å; E322-R325 WeakPolarHBondContact O-CA 3.24Å; E322-R325 WeakPolarHBondContact O-CB 3.24Å; E322-R325 PolarHBondContact O-N 2.91Å; E322-R325 IonicContact OE1-NH1 3.46Å; E322-R325 PolarHBondContact OE1-NH1 3.46Å; E322-D326 PolarHBondContact O-N 3.23Å
323	M	71.3	Confident	75.5	Confident	116 Å²	116	113.9 Å²	113.9	57%	0.571	52%	0.516	S	S	*	.	H	α-helix	trans	-60.6	-43.6	173.5	-157.2	-177.9	-49.9	0	0	112.5	E319 N320 R325 D326 E327	E319-M323 WeakPolarHBondContact O-CB 3.31Å; E319-M323 PolarHBondContact O-N 2.92Å; N320-M323 PolarHBondContact O-N 2.95Å; M323-R325 VanDerWaalsContact C-N 3.26Å; M323-R325 PolarHBondContact O-N 3.38Å; M323-D326 PolarHBondContact O-N 2.98Å; M323-E327 WeakPolarHBondContact O-CB 3.49Å; M323-E327 PolarHBondContact O-N 2.87Å
324	E	73.6	Confident	75.3	Confident	94 Å²	94	112.4 Å²	112.4	44%	0.439	51%	0.511	S	S	.	.	H	α-helix	trans	-62.1	-30.1	171.4	-85.5	-167.7	-138.2	0	0	113	N320 E322 R328	N320-E324 PolarHBondContact O-N 2.66Å; E322-E324 PolarHBondContact O-N 2.97Å; E324-R328 WeakPolarHBondContact O-CB 3.47Å; E324-R328 WeakPolarHBondContact O-CD 3.42Å; E324-R328 WeakPolarHBondContact O-CG 3.32Å; E324-R328 PolarHBondContact O-N 2.87Å; E324-R328 VanDerWaalsContact O-N 3.12Å; E324-R328 IonicContact OE2-CZ 3.93Å; E324-R328 IonicContact OE2-NE 2.67Å; E324-R328 IonicContact OE2-NH2 2.85Å; E324-R328 PolarHBondContact OE2-NH2 2.81Å
325	R	78.3	Confident	74.3	Confident	133 Å²	133	112.9 Å²	112.9	50%	0.502	51%	0.511	S	S	.	.	H	α-helix	trans	-74.3	-44.9	176.8	-171.7	-172.2	-61.1	125.2	2.3	110.3	R321 E322 M323 E327 R328 E329	R321-R325 PolarHBondContact O-N 2.81Å; E322-R325 WeakPolarHBondContact O-CA 3.24Å; E322-R325 WeakPolarHBondContact O-CB 3.24Å; E322-R325 PolarHBondContact O-N 2.91Å; E322-R325 IonicContact OE1-NH1 3.46Å; E322-R325 PolarHBondContact OE1-NH1 3.46Å; M323-R325 VanDerWaalsContact C-N 3.26Å; M323-R325 PolarHBondContact O-N 3.38Å; R325-E327 VanDerWaalsContact C-N 3.33Å; R325-E327 PolarHBondContact O-N 3.02Å; R325-R328 PolarHBondContact O-N 3.18Å; R325-E329 WeakPolarHBondContact O-CB 3.45Å; R325-E329 PolarHBondContact O-N 2.8Å
326	D	76.7	Confident	73.3	Confident	78 Å²	78	110 Å²	110	42%	0.417	50%	0.503	S	S	.	.	H	α-helix	trans	-60.3	-41.3	175.1	-107.8	42.5	0	0	0	111.8	E322 M323 E329 R330	E322-D326 PolarHBondContact O-N 3.23Å; M323-D326 PolarHBondContact O-N 2.98Å; D326-E329 PolarHBondContact O-N 3.13Å; D326-R330 WeakPolarHBondContact O-CG 3.45Å; D326-R330 PolarHBondContact O-N 3.08Å; D326-R330 IonicContact OD2-NH2 3.3Å
327	E	75.4	Confident	72.7	Confident	130 Å²	130	109 Å²	109	61%	0.607	50%	0.502	S	S	*	.	H	α-helix	trans	-64.7	-47.4	175.5	-171.8	170.1	-145.1	0	0	111.3	M323 R325 E329 R330 T331	M323-E327 WeakPolarHBondContact O-CB 3.49Å; M323-E327 PolarHBondContact O-N 2.87Å; R325-E327 VanDerWaalsContact C-N 3.33Å; R325-E327 PolarHBondContact O-N 3.02Å; E327-E329 VanDerWaalsContact C-N 3.27Å; E327-E329 PolarHBondContact O-N 3.01Å; E327-R330 PolarHBondContact O-N 2.65Å; E327-R330 VanDerWaalsContact O-N 3.12Å; E327-T331 PolarHBondContact O-N 3.49Å; E327-T331 PolarHBondContact O-OG1 3Å
328	R	75.1	Confident	71.9	Confident	151 Å²	151	111.4 Å²	111.4	57%	0.57	51%	0.514	S	S	*	.	H	α-helix	trans	-61.7	-34.6	174	-70	171.4	-153.7	-145.7	9.2	112.6	E324 R325 T331 N332	E324-R328 WeakPolarHBondContact O-CB 3.47Å; E324-R328 WeakPolarHBondContact O-CD 3.42Å; E324-R328 WeakPolarHBondContact O-CG 3.32Å; E324-R328 PolarHBondContact O-N 2.87Å; E324-R328 VanDerWaalsContact O-N 3.12Å; E324-R328 IonicContact OE2-CZ 3.93Å; E324-R328 IonicContact OE2-NE 2.67Å; E324-R328 IonicContact OE2-NH2 2.85Å; E324-R328 PolarHBondContact OE2-NH2 2.81Å; R325-R328 PolarHBondContact O-N 3.18Å; R328-T331 WeakPolarHBondContact CA-OG1 3.35Å; R328-T331 PolarHBondContact O-OG1 3.11Å; R328-T331 VanDerWaalsContact O-OG1 3.07Å; R328-N332 VanDerWaalsContact O-CB 3.23Å; R328-N332 WeakPolarHBondContact O-CB 3.38Å; R328-N332 PolarHBondContact O-N 3.1Å; R328-N332 PolarHBondContact O-ND2 2.92Å
329	E	75.9	Confident	70.2	Confident	82 Å²	82	113.5 Å²	113.5	38%	0.383	52%	0.518	S	S	.	.	H	α-helix	trans	-70.9	-33.8	174.2	-94.3	-153.9	-154.6	0	0	112.9	R325 D326 E327 R333	R325-E329 WeakPolarHBondContact O-CB 3.45Å; R325-E329 PolarHBondContact O-N 2.8Å; D326-E329 PolarHBondContact O-N 3.13Å; E327-E329 VanDerWaalsContact C-N 3.27Å; E327-E329 PolarHBondContact O-N 3.01Å; E329-R333 WeakPolarHBondContact O-CG 3.14Å; E329-R333 PolarHBondContact O-N 2.6Å; E329-R333 VanDerWaalsContact O-N 3.08Å; E329-R333 IonicContact OE2-CZ 3.23Å; E329-R333 VanDerWaalsContact OE2-CZ 3.23Å; E329-R333 IonicContact OE2-NH1 2.88Å; E329-R333 PolarHBondContact OE2-NH1 3.3Å; E329-R333 IonicContact OE2-NH2 2.71Å; E329-R333 PolarHBondContact OE2-NH2 3Å
330	R	74.3	Confident	68.9	Low	152 Å²	152	112.9 Å²	112.9	57%	0.574	52%	0.516	S	S	*	.	H	α-helix	trans	-68.1	-50.1	171.4	-73.1	175.5	-161.5	-177.8	8.8	110.9	D326 E327 N332 R333 E334	D326-R330 WeakPolarHBondContact O-CG 3.45Å; D326-R330 PolarHBondContact O-N 3.08Å; D326-R330 IonicContact OD2-NH2 3.3Å; E327-R330 PolarHBondContact O-N 2.65Å; E327-R330 VanDerWaalsContact O-N 3.12Å; R330-N332 PolarHBondContact O-N 3.37Å; R330-R333 WeakPolarHBondContact O-CA 3.46Å; R330-R333 WeakPolarHBondContact O-CB 3.3Å; R330-R333 PolarHBondContact O-N 3.19Å; R330-E334 WeakPolarHBondContact O-CG 2.96Å; R330-E334 PolarHBondContact O-N 3.32Å
331	T	70.3	Confident	68.1	Low	56 Å²	56	113.8 Å²	113.8	34%	0.344	52%	0.52	S	S	.	.	H	α-helix	trans	-61.3	-33.7	177	57.8	0	0	0	0	111.9	E327 R328 N335	E327-T331 PolarHBondContact O-N 3.49Å; E327-T331 PolarHBondContact O-OG1 3Å; R328-T331 WeakPolarHBondContact CA-OG1 3.35Å; R328-T331 PolarHBondContact O-OG1 3.11Å; R328-T331 VanDerWaalsContact O-OG1 3.07Å; T331-N335 VanDerWaalsContact O-CB 3.3Å; T331-N335 WeakPolarHBondContact O-CB 3.4Å; T331-N335 PolarHBondContact O-N 3.42Å; T331-N335 PolarHBondContact O-ND2 2.87Å
332	N	69.3	Low	66.3	Low	112 Å²	112	112.2 Å²	112.2	60%	0.599	52%	0.519	S	S	*	.	H	α-helix	trans	-74.5	-21.5	174.5	-78	-25.2	0	0	0	113.9	R328 R330 K336	R328-N332 VanDerWaalsContact O-CB 3.23Å; R328-N332 WeakPolarHBondContact O-CB 3.38Å; R328-N332 PolarHBondContact O-N 3.1Å; R328-N332 PolarHBondContact O-ND2 2.92Å; R330-N332 PolarHBondContact O-N 3.37Å; N332-K336 VanDerWaalsContact O-CB 3.3Å; N332-K336 WeakPolarHBondContact O-CB 3.47Å; N332-K336 PolarHBondContact O-N 2.75Å
333	R	70.7	Confident	64.3	Low	136 Å²	136	115.3 Å²	115.3	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-76.4	-50.6	167.7	-74.1	175.3	-177.3	100.6	9	109.9	E329 R330 N335 K336 D337	E329-R333 WeakPolarHBondContact O-CG 3.14Å; E329-R333 PolarHBondContact O-N 2.6Å; E329-R333 VanDerWaalsContact O-N 3.08Å; E329-R333 IonicContact OE2-CZ 3.23Å; E329-R333 VanDerWaalsContact OE2-CZ 3.23Å; E329-R333 IonicContact OE2-NH1 2.88Å; E329-R333 PolarHBondContact OE2-NH1 3.3Å; E329-R333 IonicContact OE2-NH2 2.71Å; E329-R333 PolarHBondContact OE2-NH2 3Å; R330-R333 WeakPolarHBondContact O-CA 3.46Å; R330-R333 WeakPolarHBondContact O-CB 3.3Å; R330-R333 PolarHBondContact O-N 3.19Å; R333-N335 PolarHBondContact O-N 2.64Å; R333-K336 CarbonylContact O-C 3.45Å; R333-K336 WeakPolarHBondContact O-CA 3.1Å; R333-K336 WeakPolarHBondContact O-CB 3.32Å; R333-K336 PolarHBondContact O-N 3.49Å; R333-D337 PolarHBondContact O-N 3.19Å
334	E	68.6	Low	62.8	Low	114 Å²	114	115.6 Å²	115.6	53%	0.533	53%	0.53	S	S	.	.	H	α-helix	trans	-56.2	-47.4	177.7	-67.8	165	163.5	0	0	112.2	R330 K336 D337 E338	R330-E334 WeakPolarHBondContact O-CG 2.96Å; R330-E334 PolarHBondContact O-N 3.32Å; E334-K336 PolarHBondContact O-N 3.41Å; E334-D337 PolarHBondContact O-N 3.08Å; E334-E338 WeakPolarHBondContact O-CB 3.29Å; E334-E338 WeakPolarHBondContact O-CG 3.32Å; E334-E338 PolarHBondContact O-N 2.81Å
335	N	62.8	Low	61.3	Low	99 Å²	99	116.2 Å²	116.2	53%	0.529	55%	0.545	S	S	.	.	H	α-helix	trans	-65.2	-23.2	174.6	-81.3	-86.4	0	0	0	113.7	T331 R333 Q339	T331-N335 VanDerWaalsContact O-CB 3.3Å; T331-N335 WeakPolarHBondContact O-CB 3.4Å; T331-N335 PolarHBondContact O-N 3.42Å; T331-N335 PolarHBondContact O-ND2 2.87Å; R333-N335 PolarHBondContact O-N 2.64Å; N335-Q339 VanDerWaalsContact O-CB 3.29Å; N335-Q339 WeakPolarHBondContact O-CB 3.14Å; N335-Q339 PolarHBondContact O-N 3.39Å
336	K	60.3	Low	59.5	Low	103 Å²	103	116.8 Å²	116.8	45%	0.448	55%	0.551	S	S	.	*	H	α-helix	trans	-82.5	-40.1	175.8	-178.4	-173.7	163.7	-68.1	0	110.7	N332 R333 E334 Q339 E340	N332-K336 VanDerWaalsContact O-CB 3.3Å; N332-K336 WeakPolarHBondContact O-CB 3.47Å; N332-K336 PolarHBondContact O-N 2.75Å; R333-K336 CarbonylContact O-C 3.45Å; R333-K336 WeakPolarHBondContact O-CA 3.1Å; R333-K336 WeakPolarHBondContact O-CB 3.32Å; R333-K336 PolarHBondContact O-N 3.49Å; E334-K336 PolarHBondContact O-N 3.41Å; K336-Q339 PolarHBondContact O-N 3.5Å; K336-E340 WeakPolarHBondContact CE-OE1 3.45Å; K336-E340 IonicContact NZ-OE1 2.71Å; K336-E340 PolarHBondContact NZ-OE1 2.77Å; K336-E340 IonicContact NZ-OE2 2.6Å; K336-E340 PolarHBondContact NZ-OE2 3.13Å; K336-E340 PolarHBondContact O-N 2.73Å
337	D	59.9	Low	57.7	Low	86 Å²	86	118.2 Å²	118.2	46%	0.46	56%	0.562	S	S	.	*	H	α-helix	trans	-68.8	-43.9	179.3	-59	-21	0	0	0	109.9	R333 E334 Q339 E340 D341	R333-D337 PolarHBondContact O-N 3.19Å; E334-D337 PolarHBondContact O-N 3.08Å; D337-Q339 PolarHBondContact O-N 3.21Å; D337-E340 PolarHBondContact O-N 3.12Å; D337-D341 PolarHBondContact O-N 3.1Å
338	E	56.2	Low	55.8	Low	142 Å²	142	118.1 Å²	118.1	66%	0.664	57%	0.571	S	S	*	*	H	α-helix	trans	-59	-32.3	169.4	-75.1	-168.1	169.8	0	0	112.8	E334 H342	E334-E338 WeakPolarHBondContact O-CB 3.29Å; E334-E338 WeakPolarHBondContact O-CG 3.32Å; E334-E338 PolarHBondContact O-N 2.81Å; E338-H342 WeakPolarHBondContact O-CB 3.28Å; E338-H342 PolarHBondContact O-N 3.06Å; E338-H342 VanDerWaalsContact O-N 3.13Å
339	Q	49.1	Very low	54.1	Low	124 Å²	124	117.9 Å²	117.9	58%	0.579	58%	0.579	S	S	*	*	H	α-helix	trans	-77.5	-35.6	177.7	-172.5	146.6	109.3	0	0	112.3	N335 K336 D337 H342 W343	N335-Q339 VanDerWaalsContact O-CB 3.29Å; N335-Q339 WeakPolarHBondContact O-CB 3.14Å; N335-Q339 PolarHBondContact O-N 3.39Å; K336-Q339 PolarHBondContact O-N 3.5Å; D337-Q339 PolarHBondContact O-N 3.21Å; Q339-H342 PolarHBondContact O-N 2.78Å; Q339-W343 PolarHBondContact O-N 3.43Å; Q339-W343 VanDerWaalsContact O-N 3.12Å
340	E	51.5	Low	51.9	Low	108 Å²	108	122.9 Å²	122.9	51%	0.505	60%	0.602	S	S	.	*	H	α-helix	trans	-68.3	-40.9	173.5	-76.5	176.4	-178.4	0	0	111.1	K336 D337 H342 W343 D344	K336-E340 WeakPolarHBondContact CE-OE1 3.45Å; K336-E340 IonicContact NZ-OE1 2.71Å; K336-E340 PolarHBondContact NZ-OE1 2.77Å; K336-E340 IonicContact NZ-OE2 2.6Å; K336-E340 PolarHBondContact NZ-OE2 3.13Å; K336-E340 PolarHBondContact O-N 2.73Å; D337-E340 PolarHBondContact O-N 3.12Å; E340-H342 VanDerWaalsContact C-N 3.29Å; E340-H342 PolarHBondContact O-N 2.9Å; E340-W343 PolarHBondContact O-N 2.66Å; E340-D344 PolarHBondContact O-N 2.73Å
341	D	48.9	Very low	49.7	Very low	119 Å²	119	122.4 Å²	122.4	64%	0.636	62%	0.617	S	S	*	*	H	α-helix	trans	-58.6	-37.2	170	-88.7	-14.2	0	0	0	112.7	D337 W343 S345	D337-D341 PolarHBondContact O-N 3.1Å; D341-W343 VanDerWaalsContact C-N 3.34Å; D341-S345 VanDerWaalsContact O-CB 3.28Å; D341-S345 WeakPolarHBondContact O-CB 3.22Å; D341-S345 PolarHBondContact O-N 3.34Å; D341-S345 VanDerWaalsContact O-N 3.15Å; D341-S345 PolarHBondContact O-OG 3.26Å
342	H	41.9	Very low	47.8	Very low	118 Å²	118	129.1 Å²	129.1	55%	0.546	64%	0.644	S	S	.	*	H	α-helix	trans	-70.3	-27.3	175.8	-169.1	81	0	0	0	113.3	E338 Q339 E340	E338-H342 WeakPolarHBondContact O-CB 3.28Å; E338-H342 PolarHBondContact O-N 3.06Å; E338-H342 VanDerWaalsContact O-N 3.13Å; Q339-H342 PolarHBondContact O-N 2.78Å; E340-H342 VanDerWaalsContact C-N 3.29Å; E340-H342 PolarHBondContact O-N 2.9Å
343	W	39.7	Very low	45.8	Very low	168 Å²	168	127.1 Å²	127.1	64%	0.636	65%	0.65	S	S	*	*	H	α-helix	trans	-80.5	-45.1	175	-82.5	107	0	0	0	112.1	Q339 E340 D341 S345 K346	Q339-W343 PolarHBondContact O-N 3.43Å; Q339-W343 VanDerWaalsContact O-N 3.12Å; E340-W343 PolarHBondContact O-N 2.66Å; D341-W343 VanDerWaalsContact C-N 3.34Å; W343-S345 VanDerWaalsContact C-N 3.32Å; W343-S345 PolarHBondContact O-N 3.29Å; W343-K346 WeakPolarHBondContact O-CA 3.37Å; W343-K346 VanDerWaalsContact O-CB 3.28Å; W343-K346 WeakPolarHBondContact O-CB 3.3Å; W343-K346 PolarHBondContact O-N 2.88Å
344	D	40.8	Very low	43.9	Very low	122 Å²	122	130.8 Å²	130.8	65%	0.652	67%	0.67	S	S	*	*	H	α-helix	trans	-65.9	-35.5	-179.9	-109	10.7	0	0	0	112.2	E340 K346 V347	E340-D344 PolarHBondContact O-N 2.73Å; D344-K346 PolarHBondContact O-N 2.88Å; D344-V347 PolarHBondContact O-N 3.37Å; D344-V347 VanDerWaalsContact O-N 3.17Å
345	S	42.6	Very low	42	Very low	107 Å²	107	137 Å²	137	75%	0.748	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-9.3	170.1	-63.8	0	0	0	0	114.4	D341 W343	D341-S345 VanDerWaalsContact O-CB 3.28Å; D341-S345 WeakPolarHBondContact O-CB 3.22Å; D341-S345 PolarHBondContact O-N 3.34Å; D341-S345 VanDerWaalsContact O-N 3.15Å; D341-S345 PolarHBondContact O-OG 3.26Å; W343-S345 VanDerWaalsContact C-N 3.32Å; W343-S345 PolarHBondContact O-N 3.29Å
346	K	40	Very low	40.4	Very low	146 Å²	146	141.5 Å²	141.5	64%	0.635	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.4	-5.5	-175.8	-142.8	170.2	-168.1	164.7	0	114.1	W343 D344	W343-K346 WeakPolarHBondContact O-CA 3.37Å; W343-K346 VanDerWaalsContact O-CB 3.28Å; W343-K346 WeakPolarHBondContact O-CB 3.3Å; W343-K346 PolarHBondContact O-N 2.88Å; D344-K346 PolarHBondContact O-N 2.88Å
347	V	37.9	Very low	38.9	Very low	107 Å²	107	144.4 Å²	144.4	65%	0.648	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-16.1	-177.3	176.6	0	0	0	0	112.4	D344 I349	D344-V347 PolarHBondContact O-N 3.37Å; D344-V347 VanDerWaalsContact O-N 3.17Å; V347-I349 PolarHBondContact O-N 2.96Å
348	V	36.2	Very low	37.3	Very low	129 Å²	129	143.4 Å²	143.4	78%	0.782	73%	0.732	S	S	*	*	S	Bend	trans	-92.7	71.3	173.8	-169.3	0	0	0	0	111.5
349	I	38.7	Very low	36	Very low	146 Å²	146	144.4 Å²	144.4	75%	0.749	74%	0.74	S	S	*	*	S	Bend	trans	170.4	84.3	146.2	-83.9	149.9	0	0	0	108.1	V347	V347-I349 PolarHBondContact O-N 2.96Å
350	Q	29.4	Very low	35	Very low	186 Å²	186	142.9 Å²	142.9	87%	0.869	74%	0.743	S	S	*	*			trans	175.7	79.4	140.2	-98.8	163.3	87	0	0	114.3
351	T	29.4	Very low	34	Very low	142 Å²	142	146.7 Å²	146.7	87%	0.871	76%	0.761	S	S	*	*			trans	-134.5	143	145.4	29.3	0	0	0	0	105.6
352	E	29	Very low	33	Very low	197 Å²	197	145.4 Å²	145.4	92%	0.921	77%	0.767	S	S	*	*			cis	-128.5	166.2	13.9	-53.5	171	119.5	0	0	109.7
353	G	28.1	Very low	33.8	Very low	70 Å²	70	145.4 Å²	145.4	72%	0.722	78%	0.777	S	S	*	*			cis	169.2	166.7	-2.2	0	0	0	0	0	109.7
354	K	30.3	Very low	33.3	Very low	214 Å²	214	143.4 Å²	143.4	93%	0.93	79%	0.789	S	S	*	*			trans	-151.9	121.8	174.7	-133.4	168.4	-173.1	173.4	0	112.5
355	R	29.4	Very low	32.7	Very low	243 Å²	243	145.4 Å²	145.4	92%	0.917	80%	0.799	S	S	*	*			trans	-101.1	113.4	171.4	-83.5	-169.5	-79.7	-176.6	-6.2	110.8
356	F	28.7	Very low	33.1	Very low	195 Å²	195	144.7 Å²	144.7	86%	0.855	79%	0.792	S	S	*	*			trans	28.7	141.7	139.5	-98.5	-80.8	0	0	0	123.2
357	I	29.8	Very low	32.5	Very low	164 Å²	164	146.2 Å²	146.2	84%	0.841	80%	0.801	S	S	*	*			trans	78.4	129.2	161.6	-57.2	167.1	0	0	0	116.9
358	G	26.6	Very low	31.9	Very low	65 Å²	65	144.9 Å²	144.9	67%	0.67	81%	0.809	S	S	*	*			trans	148	58	146.3	0	0	0	0	0	122.3
359	I	28.2	Very low	31.5	Very low	162 Å²	162	146.2 Å²	146.2	83%	0.831	81%	0.806	S	S	*	*			trans	60.6	132.5	138	-59.3	172.2	0	0	0	121.4
360	S	28.4	Very low	31	Very low	92 Å²	92	145.9 Å²	145.9	64%	0.643	81%	0.806	S	S	*	*			trans	67.6	130.5	153.8	-74.1	0	0	0	0	125
361	E	29.7	Very low	31	Very low	189 Å²	189	141.4 Å²	141.4	88%	0.883	80%	0.796	S	S	*	*			trans	71.4	161.2	135.1	-67.8	175.4	117.1	0	0	121.7
362	A	29.2	Very low	30.9	Very low	92 Å²	92	141.4 Å²	141.4	76%	0.76	79%	0.79	S	S	*	*			trans	-132.5	-161.9	-171.8	0	0	0	0	0	107.8
363	P	58.3	Low	30.9	Very low	117 Å²	117	138.6 Å²	138.6	76%	0.76	78%	0.781	S	S	*	*			cis	-129.3	173.6	-17.5	40	-25.3	0	0	0	113.3
364	S	28.1	Very low	30.8	Very low	126 Å²	126	142.1 Å²	142.1	88%	0.881	78%	0.781	S	S	*	*			trans	-168.6	164.3	145.9	9.8	0	0	0	0	114.6
365	L	27.8	Very low	30.6	Very low	165 Å²	165	140.3 Å²	140.3	86%	0.864	77%	0.773	S	S	*	*			trans	-107.5	-168.5	-179.5	-72.4	160.7	0	0	0	109.6
366	P	52.3	Low	30.4	Very low	92 Å²	92	135.1 Å²	135.1	60%	0.597	76%	0.763	S	S	*	*				-140.9	-162.1	-65.2	44.3	-28.2	0	0	0	113.1
367	Q	27.7	Very low	30.4	Very low	178 Å²	178	130.8 Å²	130.8	83%	0.832	76%	0.757	S	S	*	*			trans	67.6	154.4	153.7	-71.3	171.1	-53.7	0	0	119.9
368	G	25.6	Very low	30.2	Very low	79 Å²	79	127.9 Å²	127.9	81%	0.814	75%	0.751	S	S	*	*			trans	168.9	74.2	176.4	0	0	0	0	0	117
369	H	27.5	Very low	30.2	Very low	156 Å²	156	131.7 Å²	131.7	72%	0.722	76%	0.755	S	S	*	*			trans	-53.9	146.9	-176.9	-75.1	-90.3	0	0	0	119.6
370	N	26.6	Very low	30.1	Very low	139 Å²	139	131 Å²	131	74%	0.743	75%	0.753	S	S	*	*			trans	47.2	135.6	132	-63.5	-1.1	0	0	0	124.1
371	S	30.6	Very low	30.1	Very low	93 Å²	93	130.9 Å²	130.9	65%	0.65	76%	0.757	S	S	*	*				94.5	121.9	122.5	-88.3	0	0	0	0	124.3
372	N	27.8	Very low	30.8	Very low	141 Å²	141	127.4 Å²	127.4	75%	0.754	75%	0.752	S	S	*	*			trans	92.2	127.1	130.7	-58.3	-7	0	0	0	122.7
373	N	27.9	Very low	30.7	Very low	138 Å²	138	129.3 Å²	129.3	74%	0.738	75%	0.749	S	S	*	*				104.8	142.3	125.5	-117	-12.4	0	0	0	123.3
374	M	26.6	Very low	29.3	Very low	145 Å²	145	131.4 Å²	131.4	71%	0.714	75%	0.748	S	S	*	*			trans	59.3	132.1	163.5	-59.1	-63.5	170.2	0	0	118.4
375	K	25.8	Very low	29.1	Very low	175 Å²	175	132.5 Å²	132.5	76%	0.761	75%	0.75	S	S	*	*			cis	76.8	124.2	41.8	-157	-179.3	-173	-178	0	110.9
376	L	26.1	Very low	29.1	Very low	135 Å²	135	129.3 Å²	129.3	71%	0.707	74%	0.741	S	S	*	*				-170	166.7	58.9	-172.8	72.1	0	0	0	112.6
377	S	27.1	Very low	27.8	Very low	104 Å²	104	130.7 Å²	130.7	73%	0.727	74%	0.744	S	S	*	*			trans	71.1	152.3	147.8	41.2	0	0	0	0	121.7
378	S	26.2	Very low	27.8	Very low	102 Å²	102	129.9 Å²	129.9	71%	0.713	74%	0.74	S	S	*	*			cis	-174.3	177	-22.1	-166.8	0	0	0	0	111.1
379	L	27.1	Very low	27.9	Very low	146 Å²	146	134.2 Å²	134.2	76%	0.764	74%	0.743	S	S	*	*			trans	75.7	143.7	165.1	-55.7	178.3	0	0	0	116.6
380	N	26.4	Very low	27.9	Very low	148 Å²	148	132.1 Å²	132.1	79%	0.791	75%	0.746	S	S	*	*			cis	-139.6	164.2	10.4	-97	-38.8	0	0	0	113.2
381	A	27.6	Very low	28	Very low	88 Å²	88	130.8 Å²	130.8	73%	0.727	75%	0.748	S	S	*	*			trans	-141.6	161.5	159.2	0	0	0	0	0	108.3
382	P	45.6	Very low	27.9	Very low	117 Å²	117	134 Å²	134	76%	0.76	76%	0.757	S	S	*	*				-144.5	-159.5	86.2	42.4	-23.7	0	0	0	111.1
383	D	26.7	Very low	28	Very low	131 Å²	131	135.5 Å²	135.5	70%	0.701	76%	0.764	S	S	*	*			cis	-149.4	-151.8	2.9	-146	-49.5	0	0	0	111.3
384	Q	28.1	Very low	28.1	Very low	161 Å²	161	134.7 Å²	134.7	75%	0.752	77%	0.766	S	S	*	*			trans	-123.2	159.9	-162.6	-61.3	155.3	93.4	0	0	115.7
385	T	24.8	Very low	28.4	Very low	149 Å²	149	133.5 Å²	133.5	91%	0.914	77%	0.772	S	S	*	*			trans	-160	158.1	132.1	1.7	0	0	0	0	110.2
386	S	26.3	Very low	28.7	Very low	98 Å²	98	132.4 Å²	132.4	69%	0.685	77%	0.773	S	S	*	*			trans	-97.9	-179.5	-177.4	68	0	0	0	0	111.6
387	D	26.2	Very low	28.9	Very low	122 Å²	122	131.7 Å²	131.7	65%	0.652	78%	0.777	S	S	*	*			cis	-161.6	179	22.8	-133.2	-50.4	0	0	0	113.3
388	H	27.1	Very low	29	Very low	161 Å²	161	131 Å²	131	75%	0.745	78%	0.777	S	S	*	*			trans	55.7	103.8	154.3	-76.1	-42.7	0	0	0	121.8
389	L	27.4	Very low	29.1	Very low	170 Å²	170	132.3 Å²	132.3	89%	0.89	78%	0.78	S	S	*	*				168.8	149.7	100.3	-96.7	165.1	0	0	0	113.7
390	S	27.6	Very low	29.5	Very low	112 Å²	112	132 Å²	132	78%	0.783	78%	0.778	S	S	*	*			trans	-110.3	132.3	172	-50	0	0	0	0	111.4
391	S	29.2	Very low	29.7	Very low	111 Å²	111	130.9 Å²	130.9	78%	0.776	77%	0.771	S	S	*	*			trans	172.9	175.7	147	46.9	0	0	0	0	112.3
392	L	28.1	Very low	29.9	Very low	160 Å²	160	131 Å²	131	84%	0.838	76%	0.762	S	S	*	*			trans	73.3	68.2	167.3	-51.3	-177.3	0	0	0	117.7
393	L	30.5	Very low	29.1	Very low	172 Å²	172	130.9 Å²	130.9	90%	0.901	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-65.7	128.4	146.7	-77.5	164.1	0	0	0	109.3
394	P	30.4	Very low	29.4	Very low	121 Å²	121	132.5 Å²	132.5	79%	0.786	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-69.9	143.9	175	28.2	-33.4	0	0	0	111.5
395	S	31.2	Very low	29.4	Very low	120 Å²	120	128 Å²	128	84%	0.839	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-76.1	136.1	-171.5	-164.1	0	0	0	0	113
396	I	32.3	Very low	29.7	Very low	153 Å²	153	129.4 Å²	129.4	79%	0.785	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-72.1	127.8	174.7	-59.3	172.5	0	0	0	109	A398	I396-A398 PolarHBondContact O-N 2.8Å
397	P	31.4	Very low	29.8	Very low	120 Å²	120	134.1 Å²	134.1	78%	0.779	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-67.3	124	178.3	27.2	-33.9	0	0	0	111.2
398	A	29.6	Very low	30.1	Very low	90 Å²	90	133.9 Å²	133.9	74%	0.744	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-69.8	134.2	-172.7	0	0	0	0	0	113.5	I396	I396-A398 PolarHBondContact O-N 2.8Å
399	V	28.7	Very low	30	Very low	128 Å²	128	137.2 Å²	137.2	78%	0.776	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-75.4	126.3	165.3	179.5	0	0	0	0	108.7	I401	V399-I401 HydrophobicContact CG1-CG1 4.22Å
400	I	34.8	Very low	30	Very low	139 Å²	139	133.6 Å²	133.6	71%	0.713	77%	0.77	S	S	*	*			trans	-96.7	106.2	177.4	-59.4	177.3	0	0	0	109.2	T402	I400-T402 HydrophobicContact CG2-CG2 3.89Å
401	I	29.6	Very low	30	Very low	125 Å²	125	135.9 Å²	135.9	64%	0.641	77%	0.769	S	S	*	*			trans	-102.9	116.8	164.1	-55.9	177.2	0	0	0	106.9	V399 P512	V399-I401 HydrophobicContact CG1-CG1 4.22Å; I401-P512 HydrophobicContact CG2-CB 4.49Å
402	T	33.5	Very low	29.9	Very low	90 Å²	90	136.9 Å²	136.9	55%	0.552	77%	0.771	S	S	*	*			trans	-105.6	95.2	-178.9	29.8	0	0	0	0	111.9	I400	I400-T402 HydrophobicContact CG2-CG2 3.89Å
403	D	27.5	Very low	29.9	Very low	116 Å²	116	134.4 Å²	134.4	62%	0.62	76%	0.762	S	S	*	*			trans	-80.6	112.9	163.8	-109.9	-55.3	0	0	0	109.9	K510	D403-K510 IonicContact OD1-NZ 3.15Å; D403-K510 PolarHBondContact OD1-NZ 3.41Å
404	H	32.4	Very low	29.6	Very low	165 Å²	165	133.9 Å²	133.9	76%	0.764	76%	0.76	S	S	*	*			trans	-128.7	102.6	172.7	-68.4	-30.1	0	0	0	110.1
405	G	29.8	Very low	29.4	Very low	67 Å²	67	131.3 Å²	131.3	69%	0.691	76%	0.756	S	S	*	*			trans	-113.6	152.8	165.9	0	0	0	0	0	109.8
406	L	30.9	Very low	29.4	Very low	178 Å²	178	132.2 Å²	132.2	93%	0.932	76%	0.762	S	S	*	*			trans	-71.7	135.7	179.7	-68.1	123.9	0	0	0	111.2
407	E	27.7	Very low	29.3	Very low	196 Å²	196	128 Å²	128	92%	0.916	76%	0.757	S	S	*	*			trans	-95.8	137.6	149.4	-67.3	-162.4	140.9	0	0	109
408	S	32.1	Very low	29.6	Very low	117 Å²	117	127.9 Å²	127.9	82%	0.818	76%	0.758	S	S	*	*			trans	-125.5	120.4	170.3	57.5	0	0	0	0	107.4
409	R	25.9	Very low	29.5	Very low	232 Å²	232	131.9 Å²	131.9	88%	0.875	76%	0.762	S	S	*	*			trans	-145.3	139.9	171.3	-170.4	164	-178.4	152.7	2.3	111.2
410	S	26.5	Very low	29.7	Very low	93 Å²	93	135.6 Å²	135.6	65%	0.65	76%	0.762	S	S	*	*			trans	-100.2	-177.3	179.6	51.2	0	0	0	0	111.6
411	Q	28.6	Very low	29.3	Very low	160 Å²	160	131.8 Å²	131.8	75%	0.748	76%	0.757	S	S	*	*			trans	82.6	141.6	-175.1	-51.4	171.1	-17.1	0	0	112.7
412	T	26.4	Very low	29.5	Very low	133 Å²	133	133 Å²	133	82%	0.816	76%	0.764	S	S	*	*			cis	-149.5	-162.8	3.5	-9.1	0	0	0	0	112
413	T	27.5	Very low	29.1	Very low	108 Å²	108	134 Å²	134	66%	0.663	78%	0.775	S	S	*	*			trans	-85.7	174.1	-168	51.8	0	0	0	0	116.5
414	D	25.7	Very low	29.2	Very low	160 Å²	160	139.6 Å²	139.6	86%	0.856	79%	0.787	S	S	*	*			trans	73.9	141	160.1	-48.3	-57.2	0	0	0	118.8
415	G	26.4	Very low	28.9	Very low	68 Å²	68	136.4 Å²	136.4	70%	0.701	78%	0.783	S	S	*	*			cis	167.3	134.7	-11.8	0	0	0	0	0	114.7
416	S	30.7	Very low	30	Very low	139 Å²	139	138.4 Å²	138.4	97%	0.972	78%	0.784	S	S	*	*			trans	66.8	153.6	174.4	-154.5	0	0	0	0	116.8
417	G	29.4	Very low	29.9	Very low	65 Å²	65	135.4 Å²	135.4	67%	0.67	78%	0.778	S	S	*	*			cis	172.9	129.1	-7.5	0	0	0	0	0	107.6
418	S	37.3	Very low	31.6	Very low	116 Å²	116	131.4 Å²	131.4	81%	0.811	77%	0.769	S	S	*	*				78.6	106.2	62.8	-165	0	0	0	0	116.4
419	E	27.3	Very low	31.3	Very low	174 Å²	174	131.3 Å²	131.3	81%	0.813	77%	0.769	S	S	*	*			trans	-142.1	131.4	153	-73.8	-117.7	97.8	0	0	106.2
420	R	33.7	Very low	31.5	Very low	207 Å²	207	125.9 Å²	125.9	78%	0.781	77%	0.766	S	S	*	*				85.6	144.3	53.9	-71.6	-179.1	-179.6	-121.8	0.9	113.4
421	G	25.4	Very low	31.6	Very low	59 Å²	59	126.8 Å²	126.8	61%	0.608	77%	0.773	S	S	*	*			cis	-135.1	170.7	3.4	0	0	0	0	0	114.2
422	L	33.9	Very low	32.6	Very low	151 Å²	151	125.2 Å²	125.2	79%	0.791	78%	0.776	S	S	*	*				76.8	137.5	79.6	-60.2	171.1	0	0	0	112.9
423	S	26.5	Very low	33.1	Very low	111 Å²	111	124.9 Å²	124.9	78%	0.776	77%	0.774	S	S	*	*			cis	-157.9	146.8	28.8	-52.9	0	0	0	0	117.1
424	R	29	Very low	34.4	Very low	232 Å²	232	124.4 Å²	124.4	88%	0.875	77%	0.773	S	S	*	*			trans	24.5	118.7	140.4	-75.6	-178	168	-170.3	-4.8	125.1
425	S	26.9	Very low	34.6	Very low	98 Å²	98	126.8 Å²	126.8	69%	0.685	77%	0.771	S	S	*	*				35.9	166.4	105.6	72.1	0	0	0	0	123.3
426	P	52.9	Low	35	Very low	109 Å²	109	128.4 Å²	128.4	71%	0.708	77%	0.771	S	S	*	*			cis	-146.8	160.6	-5.6	35.5	-12.6	0	0	0	121
427	S	28.7	Very low	35	Very low	115 Å²	115	126.8 Å²	126.8	80%	0.804	76%	0.76	S	S	*	*			trans	64.6	177.2	140.5	-57.5	0	0	0	0	123.2
428	P	61.9	Low	35	Very low	113 Å²	113	128 Å²	128	73%	0.734	76%	0.758	S	S	*	*				-139.6	-169.7	-67.1	44.7	-28	0	0	0	117
429	S	27.7	Very low	35.1	Very low	115 Å²	115	133 Å²	133	80%	0.804	76%	0.759	S	S	*	*			trans	81.4	155.8	167.1	83.5	0	0	0	0	118.1
430	S	28.4	Very low	35.9	Very low	118 Å²	118	130.8 Å²	130.8	83%	0.825	76%	0.76	S	S	*	*			cis	-159.6	174	-12.8	-114.4	0	0	0	0	112.1
431	S	29.4	Very low	35.8	Very low	112 Å²	112	126.6 Å²	126.6	78%	0.783	75%	0.752	S	S	*	*			trans	-87.4	-175.6	-173.4	-30.3	0	0	0	0	114.3
432	P	48.9	Very low	36.2	Very low	127 Å²	127	133.4 Å²	133.4	83%	0.825	76%	0.76	S	S	*	*			cis	-145.2	-177.7	44.5	42.8	-21.1	0	0	0	118.8
433	V	36.5	Very low	36	Very low	126 Å²	126	134.3 Å²	134.3	76%	0.764	76%	0.757	S	S	*	*			trans	-104.7	167.8	173.6	-136.9	0	0	0	0	109.8
434	P	56.3	Low	36.1	Very low	98 Å²	98	135.5 Å²	135.5	64%	0.636	75%	0.754	S	S	*	*				-139.7	177.3	91.8	42.8	-30.6	0	0	0	111.4
435	Y	30	Very low	36	Very low	210 Å²	210	129.4 Å²	129.4	82%	0.824	75%	0.747	S	S	*	*			cis	-136.3	-167.5	9.6	-94.3	-64.7	0	0	0	107
436	S	33.6	Very low	36	Very low	101 Å²	101	129.4 Å²	129.4	71%	0.706	75%	0.747	S	S	*	*			cis	-175.4	165.5	-13	39.7	0	0	0	0	105.7
437	S	32.3	Very low	34.8	Very low	106 Å²	106	129.8 Å²	129.8	74%	0.741	75%	0.752	S	S	*	*			cis	-173.7	156.8	-17.9	-92	0	0	0	0	107.5
438	S	28.6	Very low	35	Very low	89 Å²	89	129.4 Å²	129.4	62%	0.622	75%	0.749	S	S	*	*			cis	-176.1	133.6	-16	50.3	0	0	0	0	112
439	R	38.8	Very low	33.5	Very low	223 Å²	223	128.5 Å²	128.5	84%	0.842	75%	0.751	S	S	*	*			trans	64.7	156.4	142	-63.7	177.4	179	-155.8	1.3	118.1
440	P	45.5	Very low	33.7	Very low	126 Å²	126	128.1 Å²	128.1	82%	0.818	75%	0.749	S	S	*	*			cis	-106.2	-138.7	8	23.7	-1.6	0	0	0	113.8
441	L	31.2	Very low	33.9	Very low	119 Å²	119	127.5 Å²	127.5	62%	0.623	75%	0.745	S	S	*	*			trans	-164.3	146.4	-139.3	-84.7	161.6	0	0	0	115.3
442	R	33	Very low	33.8	Very low	203 Å²	203	127.4 Å²	127.4	77%	0.766	75%	0.75	S	S	*	*			trans	73.8	159.3	145.7	-69.3	-175.8	-110	144.9	-14.7	119.2
443	K	30.3	Very low	32.7	Very low	169 Å²	169	124.1 Å²	124.1	74%	0.735	74%	0.74	S	S	*	*			cis	-159.9	143.6	-4.2	-124.1	-177.6	176.2	-165	0	113.5
444	L	27.8	Very low	32.1	Very low	137 Å²	137	128.4 Å²	128.4	72%	0.717	75%	0.749	S	S	*	*			trans	36.9	133.8	138.2	-65.2	170.6	0	0	0	124.6
445	S	26.6	Very low	30.6	Very low	103 Å²	103	128.7 Å²	128.7	72%	0.72	75%	0.753	S	S	*	*			trans	69.5	164.3	134.7	-69.8	0	0	0	0	121.4
446	S	28.2	Very low	30.4	Very low	98 Å²	98	123.3 Å²	123.3	69%	0.685	75%	0.746	S	S	*	*			cis	-175.5	134.3	-31.6	-85	0	0	0	0	109.5
447	S	27.5	Very low	30.1	Very low	117 Å²	117	122.5 Å²	122.5	82%	0.818	74%	0.741	S	S	*	*			trans	64.7	166.4	157	-64.5	0	0	0	0	118.7
448	S	32.8	Very low	29.8	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	75%	0.749	S	S	*	*			cis	-171.7	179.2	-28.1	-86.7	0	0	0	0	109.1
449	A	30.4	Very low	29.9	Very low	94 Å²	94	133.1 Å²	133.1	78%	0.777	76%	0.758	S	S	*	*			trans	76.9	155.6	160.9	0	0	0	0	0	116.4
450	S	31.9	Very low	29.4	Very low	107 Å²	107	131.8 Å²	131.8	75%	0.748	76%	0.762	S	S	*	*			cis	-169.2	170.4	-10.6	-114.5	0	0	0	0	109.9
451	S	32.5	Very low	28.8	Very low	106 Å²	106	131.3 Å²	131.3	74%	0.741	76%	0.762	S	S	*	*			cis	178.7	126.4	-38.5	52.7	0	0	0	0	109.4
452	A	27.4	Very low	29.1	Very low	109 Å²	109	134 Å²	134	90%	0.901	77%	0.771	S	S	*	*			trans	-150.2	132.8	169.9	0	0	0	0	0	111.3
453	G	26.2	Very low	29	Very low	59 Å²	59	131.8 Å²	131.8	61%	0.608	77%	0.774	S	S	*	*			cis	169.9	158.3	-11.2	0	0	0	0	0	113.1
454	F	23.7	Very low	29.6	Very low	216 Å²	216	131.3 Å²	131.3	95%	0.947	78%	0.78	S	S	*	*			trans	65.7	155.3	168.9	-52.3	-76.9	0	0	0	116.5
455	S	23.3	Very low	29.9	Very low	104 Å²	104	131.9 Å²	131.9	73%	0.727	79%	0.789	S	S	*	*			cis	-170.9	161.3	-25.3	-165.6	0	0	0	0	106.7
456	S	27.2	Very low	30.1	Very low	96 Å²	96	132.4 Å²	132.4	67%	0.671	79%	0.792	S	S	*	*			cis	-126.9	-148.9	5.1	-47.6	0	0	0	0	109.5
457	S	26.8	Very low	30.4	Very low	85 Å²	85	133.5 Å²	133.5	59%	0.594	80%	0.8	S	S	*	*			cis	74	141.5	21.9	122.3	0	0	0	0	117
458	W	26.5	Very low	30.4	Very low	240 Å²	240	134.4 Å²	134.4	91%	0.909	80%	0.795	S	S	*	*			cis	-130.9	171.8	25.1	-108.3	158	0	0	0	117
459	E	30.1	Very low	30.4	Very low	177 Å²	177	134.7 Å²	134.7	83%	0.827	79%	0.793	S	S	*	*			trans	-119.5	141.3	164.2	-176.2	171.8	-176.2	0	0	106.3
460	E	29.1	Very low	30.4	Very low	196 Å²	196	136.8 Å²	136.8	92%	0.916	79%	0.787	S	S	*	*			trans	-100.9	134.5	-170	-167.7	163.9	-171.4	0	0	111.3
461	S	33.2	Very low	30.5	Very low	116 Å²	116	140.6 Å²	140.6	81%	0.811	79%	0.79	S	S	*	*			trans	-122.3	140.5	-176.5	-174.2	0	0	0	0	110.4
462	E	35.9	Very low	30.3	Very low	175 Å²	175	138.8 Å²	138.8	82%	0.818	79%	0.787	S	S	*	*			trans	-100.3	177.3	175.8	-61.8	-173.1	109.5	0	0	111.9
463	D	32.7	Very low	30.4	Very low	156 Å²	156	140.4 Å²	140.4	83%	0.834	78%	0.781	S	S	*	*			trans	75.1	97.5	166.9	-61.6	-18.2	0	0	0	121.7
464	D	42.3	Very low	30.6	Very low	159 Å²	159	144.1 Å²	144.1	85%	0.85	79%	0.787	S	S	*	*			trans	26.9	128.8	133.1	-97.9	-16.1	0	0	0	122.7
465	V	34.5	Very low	30.8	Very low	150 Å²	150	140.3 Å²	140.3	91%	0.909	78%	0.776	S	S	*	*			trans	-150.7	142.9	137.3	-98.9	0	0	0	0	111.2
466	S	30.1	Very low	31.2	Very low	113 Å²	113	142.9 Å²	142.9	79%	0.79	78%	0.781	S	S	*	*			trans	-92.2	138.2	-179	174.7	0	0	0	0	113.1
467	S	33.5	Very low	31.3	Very low	122 Å²	122	145.3 Å²	145.3	85%	0.853	79%	0.786	S	S	*	*			trans	-155.7	129	141.9	-42.4	0	0	0	0	113
468	D	28.8	Very low	32.3	Very low	135 Å²	135	146.2 Å²	146.2	72%	0.722	79%	0.79	S	S	*	*			trans	-46.1	145.8	161.6	-171.1	10.4	0	0	0	115.4
469	T	32.8	Very low	32.3	Very low	114 Å²	114	138.9 Å²	138.9	70%	0.699	78%	0.781	S	S	*	*				177.8	107.8	123.3	27.6	0	0	0	0	114.2
470	E	29.7	Very low	32.3	Very low	137 Å²	137	138.9 Å²	138.9	64%	0.64	78%	0.78	S	S	*	*			trans	34.1	150.4	138.2	57.3	171.2	103	0	0	125.3
471	K	33.8	Very low	32.4	Very low	188 Å²	188	137.9 Å²	137.9	82%	0.817	78%	0.78	S	S	*	*			trans	78.2	131.8	170.4	-51.4	-177.4	-179.9	83.9	0	116.8
472	G	29.3	Very low	32.4	Very low	67 Å²	67	137.7 Å²	137.7	69%	0.691	78%	0.779	S	S	*	*			cis	179.2	146.1	-7.8	0	0	0	0	0	114.2
473	D	29.3	Very low	32.2	Very low	144 Å²	144	135 Å²	135	77%	0.77	78%	0.779	S	S	*	*			trans	34.3	137.5	147	-58.8	-6	0	0	0	123
474	N	30.3	Very low	32.3	Very low	136 Å²	136	137.4 Å²	137.4	73%	0.727	78%	0.782	S	S	*	*			trans	74.7	148.8	148.3	-60	-26.2	0	0	0	118.7
475	L	28.6	Very low	31.9	Very low	137 Å²	137	139.5 Å²	139.5	72%	0.717	79%	0.787	S	S	*	*			cis	-161.4	165.1	-17.4	-113.3	171.7	0	0	0	109.5
476	L	31.4	Very low	32.1	Very low	158 Å²	158	142.5 Å²	142.5	83%	0.827	79%	0.788	S	S	*	*			trans	64.7	125.4	155.4	-66.8	165.3	0	0	0	121
477	N	29.2	Very low	32.1	Very low	146 Å²	146	141.5 Å²	141.5	78%	0.781	79%	0.786	S	S	*	*			trans	-93.1	176.9	158.5	-158.4	31.7	0	0	0	107.9
478	P	47.3	Very low	32.5	Very low	104 Å²	104	143.2 Å²	143.2	68%	0.675	78%	0.781	S	S	*	*			cis	-124.8	-173.8	-33.8	26.5	-5.5	0	0	0	113.2
479	A	27.5	Very low	33.2	Very low	87 Å²	87	146.9 Å²	146.9	72%	0.719	79%	0.79	S	S	*	*			trans	118.4	152.4	134.5	0	0	0	0	0	119.2
480	H	29.4	Very low	33.9	Very low	177 Å²	177	143.8 Å²	143.8	82%	0.819	77%	0.773	S	S	*	*			trans	52.8	102.4	174.5	-75.9	-93.5	0	0	0	119
481	L	31.8	Very low	34.3	Very low	174 Å²	174	145.9 Å²	145.9	91%	0.911	78%	0.775	S	S	*	*				-163.7	159	95.4	-99.9	167.7	0	0	0	111.1
482	S	32.2	Very low	35	Very low	112 Å²	112	145.8 Å²	145.8	78%	0.783	78%	0.775	S	S	*	*			trans	-123.4	119.4	-172.1	53.9	0	0	0	0	113.1
483	S	30.9	Very low	35.9	Very low	118 Å²	118	151.1 Å²	151.1	83%	0.825	78%	0.779	S	S	*	*			trans	-149.1	117.3	165.1	62.5	0	0	0	0	113.3
484	K	36	Very low	36.8	Very low	208 Å²	208	147.7 Å²	147.7	90%	0.904	76%	0.76	S	S	*	*			trans	-3.7	114.5	159.1	-56.8	167.4	-176.1	171.5	0	117.3
485	Q	33.6	Very low	37.4	Very low	202 Å²	202	147.6 Å²	147.6	94%	0.944	75%	0.753	S	S	*	*				-155	153.8	124.1	-112.2	174.7	7.9	0	0	111
486	K	38.6	Very low	38	Very low	213 Å²	213	147.4 Å²	147.4	93%	0.926	75%	0.753	S	S	*	*			trans	-138.7	62.2	-162.8	-165.3	179.4	-179.8	178.2	0	112.3
487	A	31	Very low	38.3	Very low	92 Å²	92	147.1 Å²	147.1	76%	0.76	75%	0.749	S	S	*	*			trans	-144.8	147.7	173.3	0	0	0	0	0	108.5
488	H	40.3	Very low	39.1	Very low	158 Å²	158	144 Å²	144	73%	0.731	74%	0.735	S	S	*	*			cis	-138.3	129.6	3.8	-144	-97.2	0	0	0	109.7	S490	H488-S490 PolarHBondContact ND1-OG 2.77Å; H488-S490 PolarHBondContact O-N 3.04Å; H488-S490 VanDerWaalsContact O-N 3.13Å
489	K	44.6	Very low	38.7	Very low	212 Å²	212	146.5 Å²	146.5	92%	0.922	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	17.8	-177.8	-74.9	-169.1	175.7	-173.9	0	114.3
490	S	48.1	Very low	39.6	Very low	49 Å²	49	153.6 Å²	153.6	34%	0.343	75%	0.746	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.3	-38.8	-174.9	42.8	0	0	0	0	114.3	H488 K492 K493 I494	H488-S490 PolarHBondContact ND1-OG 2.77Å; H488-S490 PolarHBondContact O-N 3.04Å; H488-S490 VanDerWaalsContact O-N 3.13Å; S490-K492 VanDerWaalsContact C-N 3.33Å; S490-K492 PolarHBondContact O-N 2.89Å; S490-K493 PolarHBondContact O-N 2.84Å; S490-I494 PolarHBondContact O-N 3.26Å
491	W	38	Very low	40.1	Very low	181 Å²	181	149.1 Å²	149.1	69%	0.686	73%	0.734	S	S	*	*	H	α-helix	trans	-61.2	-36.5	-168.5	-157	-112.7	0	0	0	114.2	K493 I494 K495	W491-K493 VanDerWaalsContact C-N 3.25Å; W491-K493 PolarHBondContact O-N 2.99Å; W491-I494 HydrophobicContact CE3-CD1 4.23Å; W491-I494 HydrophobicContact CZ3-CD1 4.48Å; W491-I494 PolarHBondContact O-N 3.21Å; W491-K495 PolarHBondContact O-N 2.8Å
492	K	48.2	Very low	40.4	Very low	187 Å²	187	145.6 Å²	145.6	81%	0.813	72%	0.722	S	S	*	*	H	α-helix	trans	-69.1	-18.9	176.4	-72.7	-168.4	175.2	-173.6	0	113.8	S490	S490-K492 VanDerWaalsContact C-N 3.33Å; S490-K492 PolarHBondContact O-N 2.89Å
493	K	47.6	Very low	40.6	Very low	179 Å²	179	147.7 Å²	147.7	78%	0.778	72%	0.717	S	S	*	*	H	α-helix	trans	-84.9	-26	175.1	-141.9	179.9	-175.8	-170.7	0	112.2	S490 W491	S490-K493 PolarHBondContact O-N 2.84Å; W491-K493 VanDerWaalsContact C-N 3.25Å; W491-K493 PolarHBondContact O-N 2.99Å
494	I	48.2	Very low	40.7	Very low	71 Å²	71	148.7 Å²	148.7	36%	0.364	72%	0.718	S	S	.	*	H	α-helix	trans	-75.6	-38.7	176.2	-62	171.1	0	0	0	111.1	S490 W491 N496 M497 V498	S490-I494 PolarHBondContact O-N 3.26Å; W491-I494 HydrophobicContact CE3-CD1 4.23Å; W491-I494 HydrophobicContact CZ3-CD1 4.48Å; W491-I494 PolarHBondContact O-N 3.21Å; I494-N496 VanDerWaalsContact C-N 3.3Å; I494-N496 PolarHBondContact O-N 3.36Å; I494-M497 WeakPolarHBondContact O-CA 3.26Å; I494-M497 WeakPolarHBondContact O-CB 3.13Å; I494-M497 PolarHBondContact O-N 2.74Å; I494-V498 HydrophobicContact CG2-CG2 4.01Å; I494-V498 PolarHBondContact O-N 2.67Å
495	K	43.9	Very low	40.5	Very low	134 Å²	134	144.8 Å²	144.8	58%	0.583	70%	0.704	S	S	*	*	H	α-helix	trans	-56.2	-37.8	179	-82.9	-156	168.7	-163.6	0	114.1	W491 M497 H499	W491-K495 PolarHBondContact O-N 2.8Å; K495-M497 PolarHBondContact O-N 2.93Å; K495-H499 PolarHBondContact O-CD2 2.82Å
496	N	40.9	Very low	40.7	Very low	134 Å²	134	139.7 Å²	139.7	72%	0.717	69%	0.691	S	S	*	*	H	α-helix	trans	-73	-14	175	-83.3	40.5	0	0	0	114.1	I494	I494-N496 VanDerWaalsContact C-N 3.3Å; I494-N496 PolarHBondContact O-N 3.36Å
497	M	37.9	Very low	40.9	Very low	152 Å²	152	137.6 Å²	137.6	75%	0.749	68%	0.682	S	S	*	*	H	α-helix	trans	-96.2	-12.6	-179.4	-152.6	172.4	80.8	0	0	113	I494 K495	I494-M497 WeakPolarHBondContact O-CA 3.26Å; I494-M497 WeakPolarHBondContact O-CB 3.13Å; I494-M497 PolarHBondContact O-N 2.74Å; K495-M497 PolarHBondContact O-N 2.93Å
498	V	44.3	Very low	41.8	Very low	79 Å²	79	142.5 Å²	142.5	48%	0.479	69%	0.687	S	S	.	*	H	α-helix	trans	-97.7	-10.9	179.5	178.1	0	0	0	0	112.4	I494 W500	I494-V498 HydrophobicContact CG2-CG2 4.01Å; I494-V498 PolarHBondContact O-N 2.67Å; V498-W500 PolarHBondContact O-N 3.41Å
499	H	39.1	Very low	42.4	Very low	157 Å²	157	139.3 Å²	139.3	73%	0.727	67%	0.67	S	S	*	*	S	Bend	trans	-75	-5.7	173.8	-81.1	-64.8	0	0	0	114.6	K495	K495-H499 PolarHBondContact O-CD2 2.82Å
500	W	46.8	Very low	43	Very low	237 Å²	237	136.8 Å²	136.8	90%	0.898	66%	0.659	S	S	*	*	S	Bend	trans	-105.2	72.4	171.9	-78.6	70.4	0	0	0	110.7	V498	V498-W500 PolarHBondContact O-N 3.41Å
501	S	39.5	Very low	43.7	Very low	83 Å²	83	137.4 Å²	137.4	58%	0.58	66%	0.655	S	S	*	*			trans	57.2	97.4	171.7	-142.4	0	0	0	0	118.8	F503	S501-F503 VanDerWaalsContact C-N 3.29Å; S501-F503 PolarHBondContact OG-O 3.07Å
502	P	38.4	Very low	45	Very low	100 Å²	100	132.3 Å²	132.3	65%	0.649	65%	0.645	S	S	*	*	S	Bend	trans	-81.5	-5	162.3	34.1	-32.8	0	0	0	113.2
503	F	36.5	Very low	46	Very low	156 Å²	156	128.5 Å²	128.5	68%	0.684	63%	0.626	S	S	*	*	S	Bend	trans	-110.5	118.8	174	-76.3	-87.1	0	0	0	110.4	S501 M505	S501-F503 VanDerWaalsContact C-N 3.29Å; S501-F503 PolarHBondContact OG-O 3.07Å; F503-M505 VanDerWaalsContact C-N 3.29Å; F503-M505 PolarHBondContact O-N 2.86Å
504	V	33.4	Very low	47.2	Very low	139 Å²	139	120.9 Å²	120.9	84%	0.842	59%	0.593	S	S	*	*			trans	-76.3	89.2	163.5	-178.9	0	0	0	0	107.1	S506	V504-S506 PolarHBondContact O-N 2.78Å
505	M	32.7	Very low	48.6	Very low	125 Å²	125	119.4 Å²	119.4	62%	0.616	59%	0.585	S	S	*	*			trans	-65.4	88.8	169.8	-81.1	159.5	52.5	0	0	108.7	F503 F507	F503-M505 VanDerWaalsContact C-N 3.29Å; F503-M505 PolarHBondContact O-N 2.86Å; M505-F507 HydrophobicContact CB-CD2 4.4Å; M505-F507 HydrophobicContact CB-CE2 3.99Å; M505-F507 HydrophobicContact CB-CZ 4.37Å; M505-F507 HydrophobicContact CE-CE1 4.26Å; M505-F507 HydrophobicContact CE-CE2 4.09Å; M505-F507 HydrophobicContact CE-CZ 3.51Å; M505-F507 WeakPolarHBondContact O-CD2 3.34Å; M505-F507 PolarHBondContact O-N 3.07Å
506	S	36.3	Very low	49.9	Very low	95 Å²	95	113.5 Å²	113.5	66%	0.664	56%	0.56	S	S	*	*			trans	-71.9	76.9	178.2	59.2	0	0	0	0	109.8	V504 K508	V504-S506 PolarHBondContact O-N 2.78Å; S506-K508 PolarHBondContact O-N 3.39Å
507	F	42.8	Very low	51	Low	169 Å²	169	108 Å²	108	74%	0.741	53%	0.533	S	S	*	.			trans	-55	107.8	173.2	-68.8	-78.6	0	0	0	109.2	M505 K509	M505-F507 HydrophobicContact CB-CD2 4.4Å; M505-F507 HydrophobicContact CB-CE2 3.99Å; M505-F507 HydrophobicContact CB-CZ 4.37Å; M505-F507 HydrophobicContact CE-CE1 4.26Å; M505-F507 HydrophobicContact CE-CE2 4.09Å; M505-F507 HydrophobicContact CE-CZ 3.51Å; M505-F507 WeakPolarHBondContact O-CD2 3.34Å; M505-F507 PolarHBondContact O-N 3.07Å; F507-K509 VanDerWaalsContact C-N 3.33Å; F507-K509 PolarHBondContact O-N 2.68Å
508	K	49.4	Very low	52.3	Low	196 Å²	196	103.6 Å²	103.6	85%	0.852	53%	0.526	S	S	*	.			trans	-66.8	94.1	175.5	-71.8	-178.6	179	176	0	108.4	S506 K510	S506-K508 PolarHBondContact O-N 3.39Å; K508-K510 PolarHBondContact O-N 2.82Å
509	K	54.1	Low	53.2	Low	90 Å²	90	107.3 Å²	107.3	39%	0.391	54%	0.538	S	S	.	.			trans	-61.1	91.4	-179	-167.7	-169.2	-168.2	-178.5	0	110.2	F507 Y511 A577 E578 F579 D580	F507-K509 VanDerWaalsContact C-N 3.33Å; F507-K509 PolarHBondContact O-N 2.68Å; K509-Y511 HydrophobicContact CD-CD1 4.21Å; K509-Y511 HydrophobicContact CD-CE1 4.38Å; K509-Y511 HydrophobicContact CG-CD1 4.18Å; K509-Y511 WeakPolarHBondContact O-CD1 3.3Å; K509-Y511 PolarHBondContact O-N 2.91Å; K509-A577 PolarHBondContact NZ-O 2.55Å; K509-E578 PolarHBondContact NZ-O 3.01Å; K509-F579 WeakPolarHBondContact CE-O 3.42Å; K509-F579 VanDerWaalsContact NZ-C 3.29Å; K509-F579 PolarHBondContact NZ-O 3.26Å; K509-D580 WeakPolarHBondContact CE-OD1 3.32Å; K509-D580 IonicContact NZ-OD1 2.69Å; K509-D580 PolarHBondContact NZ-OD1 3.18Å
510	K	56.1	Low	54.4	Low	159 Å²	159	104.4 Å²	104.4	69%	0.691	54%	0.541	S	S	*	.			trans	-73.3	114.5	168.4	-78	-169.5	166.8	-160.4	0	108.8	D403 K508	D403-K510 IonicContact OD1-NZ 3.15Å; D403-K510 PolarHBondContact OD1-NZ 3.41Å; K508-K510 PolarHBondContact O-N 2.82Å
511	Y	63.9	Low	55.7	Low	63 Å²	63	96 Å²	96	25%	0.247	53%	0.528	C	S	.	.			trans	-116.8	147.8	158.6	46	-87.3	0	0	0	108.1	K509 D574 L576 A577	K509-Y511 HydrophobicContact CD-CD1 4.21Å; K509-Y511 HydrophobicContact CD-CE1 4.38Å; K509-Y511 HydrophobicContact CG-CD1 4.18Å; K509-Y511 WeakPolarHBondContact O-CD1 3.3Å; K509-Y511 PolarHBondContact O-N 2.91Å; Y511-D574 PolarHBondContact OH-OD2 2.69Å; Y511-L576 HydrophobicContact CE2-CB 4.18Å; Y511-A577 VanDerWaalsContact OH-CA 3.27Å; Y511-A577 WeakPolarHBondContact OH-CA 3.39Å; Y511-A577 WeakPolarHBondContact OH-CB 3.38Å
512	P	65.6	Low	57.7	Low	74 Å²	74	93.5 Å²	93.5	48%	0.481	51%	0.51	S	S	.	.			trans	-62.9	144.2	174.2	27.6	-34.4	0	0	0	109.9	I401	I401-P512 HydrophobicContact CG2-CB 4.49Å
513	W	67.7	Low	60	Low	107 Å²	107	90.6 Å²	90.6	41%	0.405	49%	0.488	S	S	.	.			trans	-67.6	138.7	177.1	173.8	-120.1	0	0	0	111.2	Q515 F523 I531 L576	W513-Q515 HydrophobicContact CZ2-CB 4.25Å; W513-F523 HydrophobicContact CZ2-CB 3.99Å; W513-F523 HydrophobicContact CZ2-CD1 4.18Å; W513-F523 HydrophobicContact CZ2-CD2 4.11Å; W513-F523 AromaticContact CZ2-CG 3.85Å; W513-F523 HydrophobicContact CZ2-CG 3.85Å; W513-I531 HydrophobicContact CD2-CD1 4.28Å; W513-I531 HydrophobicContact CE3-CD1 3.9Å; W513-I531 HydrophobicContact CH2-CD1 3.09Å; W513-I531 HydrophobicContact CZ2-CD1 3.46Å; W513-I531 VanDerWaalsContact CZ2-CD1 3.46Å; W513-I531 HydrophobicContact CZ3-CD1 3.32Å; W513-L576 HydrophobicContact CZ3-CD1 4.4Å
514	I	72.9	Confident	62.4	Low	19 Å²	19	86.2 Å²	86.2	10%	0.097	47%	0.468	C	S	.	.			trans	-123.7	109.4	-172.1	-63.5	155.9	0	0	0	109.4	L576 P582 V584 K660	I514-L576 HydrophobicContact CB-CD1 3.92Å; I514-L576 HydrophobicContact CD1-CD1 3.86Å; I514-L576 HydrophobicContact CG1-CD1 4.43Å; I514-P582 HydrophobicContact CD1-CG 4.25Å; I514-V584 HydrophobicContact CG2-CG2 4.3Å; I514-K660 HydrophobicContact CB-CD 4.37Å; I514-K660 HydrophobicContact CD1-CD 3.59Å; I514-K660 HydrophobicContact CG1-CD 3.63Å; I514-K660 HydrophobicContact CG2-CB 4.42Å; I514-K660 HydrophobicContact CG2-CD 3.75Å
515	Q	77.3	Confident	64.9	Low	39 Å²	39	83.7 Å²	83.7	18%	0.182	46%	0.462	C	S	.	.			trans	-118.5	106.5	173.3	-178.2	177.4	-7.6	0	0	109.9	W513 A517 H519 F523 R668	W513-Q515 HydrophobicContact CZ2-CB 4.25Å; Q515-A517 WeakPolarHBondContact CG-O 3.12Å; Q515-A517 PolarHBondContact NE2-O 3.17Å; Q515-H519 PolarHBondContact NE2-O 3.07Å; Q515-F523 HydrophobicContact CG-CD2 4.25Å; Q515-F523 HydrophobicContact CG-CE2 4.27Å; Q515-R668 PolarHBondContact O-NH2 2.98Å
516	L	72.4	Confident	67.3	Low	11 Å²	11	79.1 Å²	79.1	6%	0.058	45%	0.447	C	S	.	.			trans	-76.1	-55.9	178.1	-66.6	-178.6	0	0	0	111.9	V584 D586 K660 V666 R668	L516-V584 HydrophobicContact CD1-CB 3.94Å; L516-V584 HydrophobicContact CD1-CG1 3.6Å; L516-V584 HydrophobicContact CG-CG1 4.4Å; L516-D586 HydrophobicContact CB-CB 4Å; L516-D586 HydrophobicContact CD1-CB 3.87Å; L516-K660 HydrophobicContact CD2-CB 3.9Å; L516-V666 HydrophobicContact CD2-CG1 4.1Å; L516-R668 VanDerWaalsContact O-CZ 3.3Å; L516-R668 PolarHBondContact O-NE 3.31Å; L516-R668 PolarHBondContact O-NH2 2.98Å
517	A	63.5	Low	69.5	Low	19 Å²	19	77.6 Å²	77.6	16%	0.157	44%	0.44	C	S	.	.	S	Bend	trans	-113.1	-178.5	-178.5	0	0	0	0	0	113.5	Q515 D586 E657	Q515-A517 WeakPolarHBondContact CG-O 3.12Å; Q515-A517 PolarHBondContact NE2-O 3.17Å; A517-D586 VanDerWaalsContact CB-OD2 3.26Å; A517-D586 WeakPolarHBondContact CB-OD2 3.43Å; A517-E657 HydrophobicContact CB-CB 4.42Å
518	G	64.9	Low	71.5	Confident	58 Å²	58	77.3 Å²	77.3	60%	0.598	45%	0.447	S	S	*	.	S	Bend	trans	77.8	-176.2	178.5	0	0	0	0	0	114.8
519	H	64	Low	73.1	Confident	158 Å²	158	69.7 Å²	69.7	73%	0.731	42%	0.424	S	S	*	.			trans	-85	139.8	-176.3	-66.6	80.2	0	0	0	111.4	Q515 S522	Q515-H519 PolarHBondContact NE2-O 3.07Å; H519-S522 VanDerWaalsContact O-CB 3.26Å; H519-S522 WeakPolarHBondContact O-CB 3.44Å; H519-S522 PolarHBondContact O-N 3.21Å; H519-S522 PolarHBondContact O-OG 3.47Å
520	A	64.3	Low	74.9	Confident	95 Å²	95	69.9 Å²	69.9	79%	0.785	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	144.6	175.4	0	0	0	0	0	111.6	S522	A520-S522 PolarHBondContact O-N 3.37Å
521	G	73.1	Confident	76.6	Confident	62 Å²	62	62.6 Å²	62.6	64%	0.639	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	5.5	-177.3	0	0	0	0	0	115.3	F523	G521-F523 PolarHBondContact O-N 3.45Å
522	S	82.1	Confident	78	Confident	29 Å²	29	60 Å²	60	20%	0.203	38%	0.381	C	S	.	.	S	Bend	trans	-72.4	-12.9	175.1	-58.3	0	0	0	0	113.8	H519 A520 K533 K534	H519-S522 VanDerWaalsContact O-CB 3.26Å; H519-S522 WeakPolarHBondContact O-CB 3.44Å; H519-S522 PolarHBondContact O-N 3.21Å; H519-S522 PolarHBondContact O-OG 3.47Å; A520-S522 PolarHBondContact O-N 3.37Å; S522-K533 CarbonylContact O-C 3.56Å; S522-K534 PolarHBondContact O-N 3.25Å
523	F	86.6	Confident	79.4	Confident	39 Å²	39	57.4 Å²	57.4	17%	0.171	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.7	-177.7	-65.1	-88.8	0	0	0	111.8	W513 Q515 G521 I531 L532 K533	W513-F523 HydrophobicContact CZ2-CB 3.99Å; W513-F523 HydrophobicContact CZ2-CD1 4.18Å; W513-F523 HydrophobicContact CZ2-CD2 4.11Å; W513-F523 AromaticContact CZ2-CG 3.85Å; W513-F523 HydrophobicContact CZ2-CG 3.85Å; Q515-F523 HydrophobicContact CG-CD2 4.25Å; Q515-F523 HydrophobicContact CG-CE2 4.27Å; G521-F523 PolarHBondContact O-N 3.45Å; F523-I531 HydrophobicContact CB-CD1 4.12Å; F523-I531 HydrophobicContact CD1-CD1 3.52Å; F523-I531 HydrophobicContact CD1-CG1 4.03Å; F523-I531 HydrophobicContact CE1-CD1 4.24Å; F523-I531 HydrophobicContact CG-CD1 4.12Å; F523-L532 CarbonylContact C-O 3.51Å; F523-L532 VanDerWaalsContact CA-O 3.32Å; F523-L532 WeakPolarHBondContact CA-O 3.28Å; F523-K533 HydrophobicContact CD1-CB 3.88Å; F523-K533 HydrophobicContact CD1-CG 4Å; F523-K533 HydrophobicContact CE1-CB 3.71Å; F523-K533 HydrophobicContact CE1-CD 3.64Å; F523-K533 HydrophobicContact CE1-CG 3.54Å; F523-K533 HydrophobicContact CZ-CD 3.79Å; F523-K533 HydrophobicContact CZ-CG 3.93Å
524	K	87.3	Confident	80.6	Confident	64 Å²	64	57.2 Å²	57.2	28%	0.278	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.8	166.6	-74.7	179.5	175.9	165.8	0	109	G526 I531 L532 D565 Y569	K524-G526 PolarHBondContact O-N 3.29Å; K524-I531 WeakPolarHBondContact O-CG1 3.33Å; K524-L532 HydrophobicContact CB-CB 4.21Å; K524-L532 PolarHBondContact N-O 3.15Å; K524-L532 WeakPolarHBondContact O-CB 2.97Å; K524-L532 PolarHBondContact O-N 3.27Å; K524-D565 IonicContact NZ-OD2 3.22Å; K524-D565 PolarHBondContact NZ-OD2 2.66Å; K524-Y569 HydrophobicContact CD-CE1 4.11Å; K524-Y569 HydrophobicContact CD-CE2 4.22Å; K524-Y569 WeakPolarHBondContact CD-OH 3.38Å; K524-Y569 WeakPolarHBondContact CE-OH 3.33Å; K524-Y569 HydrophobicContact CG-CE1 4.3Å; K524-Y569 PolarHBondContact NZ-OH 2.94Å
525	A	85.4	Confident	81.7	Confident	86 Å²	86	58 Å²	58	71%	0.711	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	135	172	0	0	0	0	0	111.2
526	G	83.1	Confident	82.4	Confident	29 Å²	29	58.3 Å²	58.3	30%	0.299	37%	0.373	S	S	.	.			trans	-96	-173.8	169.5	0	0	0	0	0	111.9	K524 R530	K524-G526 PolarHBondContact O-N 3.29Å; G526-R530 CarbonylContact C-O 3.39Å; G526-R530 WeakPolarHBondContact CA-O 3.36Å; G526-R530 PolarHBondContact N-O 3.39Å
527	A	83.7	Confident	83.5	Confident	64 Å²	64	62 Å²	62	53%	0.529	39%	0.39	S	S	.	.	S	Bend	trans	-96.3	153.3	172.3	0	0	0	0	0	110.8	G529 R530	A527-G529 PolarHBondContact O-N 3.32Å; A527-R530 VanDerWaalsContact O-CB 3.32Å; A527-R530 WeakPolarHBondContact O-CB 3.28Å; A527-R530 WeakPolarHBondContact O-CG 2.96Å; A527-R530 PolarHBondContact O-N 3.37Å
528	N	83.6	Confident	85.1	Confident	163 Å²	163	62.9 Å²	62.9	87%	0.872	40%	0.395	S	S	*	.	S	Bend	trans	57	50.5	166.6	-52.7	-13.4	0	0	0	114.8
529	G	84.1	Confident	86.6	Confident	36 Å²	36	60.4 Å²	60.4	37%	0.371	37%	0.368	S	S	.	.	S	Bend	trans	73.4	27.3	178.2	0	0	0	0	0	114	A527 D574	A527-G529 PolarHBondContact O-N 3.32Å; G529-D574 PolarHBondContact O-N 2.87Å
530	R	91.1	Very high	88.2	Confident	94 Å²	94	54.3 Å²	54.3	36%	0.355	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	156.1	177.5	-58.5	179.6	176.8	178.7	3.7	111.2	G526 A527 H559 Q571 M572	G526-R530 CarbonylContact C-O 3.39Å; G526-R530 WeakPolarHBondContact CA-O 3.36Å; G526-R530 PolarHBondContact N-O 3.39Å; A527-R530 VanDerWaalsContact O-CB 3.32Å; A527-R530 WeakPolarHBondContact O-CB 3.28Å; A527-R530 WeakPolarHBondContact O-CG 2.96Å; A527-R530 PolarHBondContact O-N 3.37Å; R530-H559 VanDerWaalsContact CD-CD2 3.48Å; R530-H559 WeakPolarHBondContact CD-CD2 3.34Å; R530-H559 PolarHBondContact NE-CD2 3.4Å; R530-H559 PolarHBondContact NE-NE2 2.86Å; R530-Q571 HydrophobicContact CB-CG 4.26Å; R530-M572 CarbonylContact C-O 3.57Å; R530-M572 VanDerWaalsContact CA-O 3.24Å; R530-M572 WeakPolarHBondContact CA-O 3.35Å; R530-M572 WeakPolarHBondContact CB-O 3.46Å
531	I	92.6	Very high	89.8	Confident	6 Å²	6	56.8 Å²	56.8	3%	0.031	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	152.6	174	-170.3	171.5	0	0	0	110.8	W513 F523 K524 M572 D574	W513-I531 HydrophobicContact CD2-CD1 4.28Å; W513-I531 HydrophobicContact CE3-CD1 3.9Å; W513-I531 HydrophobicContact CH2-CD1 3.09Å; W513-I531 HydrophobicContact CZ2-CD1 3.46Å; W513-I531 VanDerWaalsContact CZ2-CD1 3.46Å; W513-I531 HydrophobicContact CZ3-CD1 3.32Å; F523-I531 HydrophobicContact CB-CD1 4.12Å; F523-I531 HydrophobicContact CD1-CD1 3.52Å; F523-I531 HydrophobicContact CD1-CG1 4.03Å; F523-I531 HydrophobicContact CE1-CD1 4.24Å; F523-I531 HydrophobicContact CG-CD1 4.12Å; K524-I531 WeakPolarHBondContact O-CG1 3.33Å; I531-M572 HydrophobicContact CG2-CG 3.44Å; I531-M572 VanDerWaalsContact CG2-CG 3.44Å; I531-M572 HydrophobicContact CG2-SD 4.23Å; I531-M572 PolarHBondContact N-O 3.19Å; I531-M572 PolarHBondContact O-N 2.98Å; I531-D574 HydrophobicContact CB-CB 4.4Å
532	L	92.9	Very high	91	Very high	9 Å²	9	54 Å²	54	5%	0.047	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	107.8	176.9	-51.4	-173.6	0	0	0	109.2	F523 K524 V562 K564 Y569 Q571	F523-L532 CarbonylContact C-O 3.51Å; F523-L532 VanDerWaalsContact CA-O 3.32Å; F523-L532 WeakPolarHBondContact CA-O 3.28Å; K524-L532 HydrophobicContact CB-CB 4.21Å; K524-L532 PolarHBondContact N-O 3.15Å; K524-L532 WeakPolarHBondContact O-CB 2.97Å; K524-L532 PolarHBondContact O-N 3.27Å; L532-V562 HydrophobicContact CD1-CG2 4.12Å; L532-V562 HydrophobicContact CD2-CG2 3.57Å; L532-V562 HydrophobicContact CG-CG2 4.41Å; L532-K564 HydrophobicContact CD1-CD 4.27Å; L532-Y569 HydrophobicContact CB-CD1 3.93Å; L532-Y569 HydrophobicContact CB-CG 3.99Å; L532-Q571 HydrophobicContact CD2-CB 3.9Å; L532-Q571 HydrophobicContact CD2-CG 3.81Å
533	K	94.3	Very high	91.7	Very high	18 Å²	18	52.7 Å²	52.7	8%	0.078	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.2	171.8	-171.8	173.6	179.7	-177.7	0	109.5	S522 F523 H535 E539 Y569 N570 M572 D740	S522-K533 CarbonylContact O-C 3.56Å; F523-K533 HydrophobicContact CD1-CB 3.88Å; F523-K533 HydrophobicContact CD1-CG 4Å; F523-K533 HydrophobicContact CE1-CB 3.71Å; F523-K533 HydrophobicContact CE1-CD 3.64Å; F523-K533 HydrophobicContact CE1-CG 3.54Å; F523-K533 HydrophobicContact CZ-CD 3.79Å; F523-K533 HydrophobicContact CZ-CG 3.93Å; K533-H535 PolarHBondContact O-N 2.72Å; K533-E539 VanDerWaalsContact CD-OE2 3.3Å; K533-E539 WeakPolarHBondContact CD-OE2 3.15Å; K533-E539 WeakPolarHBondContact CE-OE2 3.5Å; K533-E539 VanDerWaalsContact NZ-CD 3.26Å; K533-E539 IonicContact NZ-OE1 3.57Å; K533-E539 PolarHBondContact NZ-OE1 3.3Å; K533-E539 IonicContact NZ-OE2 2.98Å; K533-E539 PolarHBondContact NZ-OE2 2.84Å; K533-Y569 CarbonylContact O-C 3.44Å; K533-Y569 VanDerWaalsContact O-CA 3.24Å; K533-Y569 WeakPolarHBondContact O-CA 3.46Å; K533-Y569 WeakPolarHBondContact O-CB 3.25Å; K533-N570 PolarHBondContact N-O 3.02Å; K533-N570 PolarHBondContact O-N 3.28Å; K533-M572 HydrophobicContact CB-CE 3.87Å; K533-M572 HydrophobicContact CB-SD 4.31Å; K533-M572 HydrophobicContact CD-CE 4.11Å; K533-D740 IonicContact NZ-OD1 2.88Å; K533-D740 PolarHBondContact NZ-OD1 3.37Å; K533-D740 IonicContact NZ-OD2 2.76Å; K533-D740 PolarHBondContact NZ-OD2 3.28Å
534	K	94.3	Very high	92.2	Very high	103 Å²	103	53 Å²	53	45%	0.448	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	127.9	-179.4	177.2	166.2	172.2	149	0	109.6	S522 C536 Y569	S522-K534 PolarHBondContact O-N 3.25Å; K534-C536 PolarHBondContact O-N 3.24Å; K534-Y569 HydrophobicContact CB-CD1 4.41Å; K534-Y569 HydrophobicContact CB-CE1 4.26Å
535	H	94.3	Very high	92.8	Very high	37 Å²	37	55.9 Å²	55.9	17%	0.171	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-60.1	131	-169.3	176.1	75.8	0	0	0	112.2	K533 E537 D561 K568 N570	K533-H535 PolarHBondContact O-N 2.72Å; H535-E537 IonicContact NE2-OE2 2.66Å; H535-D561 IonicContact CE1-OD1 2.71Å; H535-D561 PolarHBondContact CE1-OD1 3.08Å; H535-D561 IonicContact ND1-OD1 3.23Å; H535-D561 PolarHBondContact ND1-OD1 3.22Å; H535-K568 HydrophobicContact CB-CB 3.92Å; H535-K568 HydrophobicContact CB-CD 4.27Å; H535-K568 HydrophobicContact CB-CG 3.81Å; H535-K568 WeakPolarHBondContact CB-O 3.49Å; H535-K568 VanDerWaalsContact CE1-CE 3.47Å; H535-K568 WeakPolarHBondContact CE1-CE 3.4Å; H535-K568 PolarHBondContact CE1-NZ 3.15Å; H535-K568 PolarHBondContact N-O 3.24Å; H535-K568 VanDerWaalsContact N-O 3.12Å; H535-K568 PolarHBondContact NE2-NZ 2.86Å; H535-N570 PolarHBondContact ND1-OD1 3.16Å
536	C	93.8	Very high	93.4	Very high	45 Å²	45	51.8 Å²	51.8	30%	0.304	27%	0.272	S	S	.	.			trans	-129.3	124.8	169.2	176.4	0	0	0	0	107.4	K534 C538 E539 Q540	K534-C536 PolarHBondContact O-N 3.24Å; C536-C538 VanDerWaalsContact C-N 3.28Å; C536-C538 PolarHBondContact O-N 2.84Å; C536-E539 HydrophobicContact CB-CB 4.06Å; C536-E539 PolarHBondContact O-N 2.78Å; C536-Q540 WeakPolarHBondContact O-CB 3.28Å; C536-Q540 PolarHBondContact O-N 3.38Å
537	E	95.5	Very high	94.1	Very high	88 Å²	88	51.8 Å²	51.8	41%	0.411	26%	0.264	S	S	.	.	H	α-helix	trans	-57.6	-39.2	-177.2	-174.5	67.3	-158.7	0	0	112.3	H535 R541	H535-E537 IonicContact NE2-OE2 2.66Å; E537-R541 WeakPolarHBondContact O-CD 3.23Å; E537-R541 VanDerWaalsContact O-CG 3.25Å; E537-R541 WeakPolarHBondContact O-CG 3.38Å; E537-R541 PolarHBondContact O-N 2.8Å; E537-R541 IonicContact OE1-CZ 2.79Å; E537-R541 IonicContact OE1-NE 2.98Å; E537-R541 PolarHBondContact OE1-NE 2.65Å; E537-R541 IonicContact OE1-NH2 3.56Å; E537-R541 PolarHBondContact OE1-NH2 2.85Å
538	C	95.4	Very high	94.8	Very high	38 Å²	38	57.3 Å²	57.3	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-65.2	-52.5	178.6	-151.2	0	0	0	0	110.8	C536 Q540 R541 C542 T744	C536-C538 VanDerWaalsContact C-N 3.28Å; C536-C538 PolarHBondContact O-N 2.84Å; C538-Q540 VanDerWaalsContact C-N 3.33Å; C538-Q540 PolarHBondContact O-N 2.96Å; C538-R541 PolarHBondContact O-N 2.98Å; C538-C542 PolarHBondContact O-N 2.89Å; C538-C542 VanDerWaalsContact O-N 3.08Å; C538-C542 PolarHBondContact O-SG 3.41Å; C538-C542 VanDerWaalsContact O-SG 3.39Å; C538-T744 PolarHBondContact SG-O 2.79Å
539	E	96.9	Very high	95.5	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.028	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-37.9	179.5	-177.6	160.6	-128.7	0	0	112.3	K533 C536 C542 L543 D740 F741	K533-E539 VanDerWaalsContact CD-OE2 3.3Å; K533-E539 WeakPolarHBondContact CD-OE2 3.15Å; K533-E539 WeakPolarHBondContact CE-OE2 3.5Å; K533-E539 VanDerWaalsContact NZ-CD 3.26Å; K533-E539 IonicContact NZ-OE1 3.57Å; K533-E539 PolarHBondContact NZ-OE1 3.3Å; K533-E539 IonicContact NZ-OE2 2.98Å; K533-E539 PolarHBondContact NZ-OE2 2.84Å; C536-E539 HydrophobicContact CB-CB 4.06Å; C536-E539 PolarHBondContact O-N 2.78Å; E539-C542 PolarHBondContact O-N 2.83Å; E539-L543 HydrophobicContact CG-CD1 3.78Å; E539-L543 HydrophobicContact CG-CG 4.21Å; E539-L543 WeakPolarHBondContact O-CB 3.47Å; E539-L543 VanDerWaalsContact O-CG 3.23Å; E539-L543 WeakPolarHBondContact O-CG 3.34Å; E539-L543 PolarHBondContact O-N 3.24Å; E539-D740 WeakPolarHBondContact OE1-CA 3.49Å; E539-F741 HydrophobicContact CG-CB 4.28Å; E539-F741 PolarHBondContact OE1-N 3.01Å
540	Q	97.3	Very high	96.2	Very high	30 Å²	30	52 Å²	52	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-45.5	176.9	-179.9	-85.5	-53.7	0	0	111.5	C536 C538 L543 S544 Y558	C536-Q540 WeakPolarHBondContact O-CB 3.28Å; C536-Q540 PolarHBondContact O-N 3.38Å; C538-Q540 VanDerWaalsContact C-N 3.33Å; C538-Q540 PolarHBondContact O-N 2.96Å; Q540-L543 PolarHBondContact O-N 2.89Å; Q540-S544 PolarHBondContact NE2-OG 2.91Å; Q540-S544 WeakPolarHBondContact O-CB 3.35Å; Q540-S544 PolarHBondContact O-N 3Å; Q540-Y558 WeakPolarHBondContact CG-OH 3.3Å
541	R	97.5	Very high	96.6	Very high	147 Å²	147	47.5 Å²	47.5	56%	0.555	23%	0.228	S	C	*	.	H	α-helix	trans	-64.7	-41.3	178.3	-68.2	168.1	-174.1	-168.9	2	111.8	E537 C538 S544 R545	E537-R541 WeakPolarHBondContact O-CD 3.23Å; E537-R541 VanDerWaalsContact O-CG 3.25Å; E537-R541 WeakPolarHBondContact O-CG 3.38Å; E537-R541 PolarHBondContact O-N 2.8Å; E537-R541 IonicContact OE1-CZ 2.79Å; E537-R541 IonicContact OE1-NE 2.98Å; E537-R541 PolarHBondContact OE1-NE 2.65Å; E537-R541 IonicContact OE1-NH2 3.56Å; E537-R541 PolarHBondContact OE1-NH2 2.85Å; C538-R541 PolarHBondContact O-N 2.98Å; R541-S544 PolarHBondContact O-N 3.29Å; R541-R545 PolarHBondContact O-N 2.86Å; R541-R545 VanDerWaalsContact O-N 3.07Å
542	C	98.3	Very high	96.9	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.02	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-50	173.9	-66.9	0	0	0	0	111.7	C538 E539 S544 R545 L546 F713 F741 T744	C538-C542 PolarHBondContact O-N 2.89Å; C538-C542 VanDerWaalsContact O-N 3.08Å; C538-C542 PolarHBondContact O-SG 3.41Å; C538-C542 VanDerWaalsContact O-SG 3.39Å; E539-C542 PolarHBondContact O-N 2.83Å; C542-S544 VanDerWaalsContact C-N 3.31Å; C542-S544 PolarHBondContact O-N 3.33Å; C542-R545 PolarHBondContact O-N 2.91Å; C542-L546 HydrophobicContact CB-CD1 4.44Å; C542-L546 WeakPolarHBondContact O-CB 3.34Å; C542-L546 WeakPolarHBondContact O-CD1 3.38Å; C542-L546 VanDerWaalsContact O-CG 3.26Å; C542-L546 WeakPolarHBondContact O-CG 3.48Å; C542-L546 PolarHBondContact O-N 2.99Å; C542-F713 HydrophobicContact CB-CE2 4.16Å; C542-F713 HydrophobicContact CB-CZ 3.9Å; C542-F741 HydrophobicContact CB-CB 3.71Å; C542-F741 HydrophobicContact CB-CG 4.24Å; C542-T744 PolarHBondContact SG-O 2.98Å
543	L	98.1	Very high	97.1	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-38.2	178	-73.2	170.9	0	0	0	112.6	E539 Q540 M547 Y558 M572 F741	E539-L543 HydrophobicContact CG-CD1 3.78Å; E539-L543 HydrophobicContact CG-CG 4.21Å; E539-L543 WeakPolarHBondContact O-CB 3.47Å; E539-L543 VanDerWaalsContact O-CG 3.23Å; E539-L543 WeakPolarHBondContact O-CG 3.34Å; E539-L543 PolarHBondContact O-N 3.24Å; Q540-L543 PolarHBondContact O-N 2.89Å; L543-M547 WeakPolarHBondContact O-CG 3.41Å; L543-M547 PolarHBondContact O-N 3.45Å; L543-Y558 HydrophobicContact CB-CD1 3.99Å; L543-Y558 HydrophobicContact CB-CD2 4.06Å; L543-Y558 HydrophobicContact CB-CG 3.72Å; L543-Y558 HydrophobicContact CD1-CD2 4.05Å; L543-Y558 HydrophobicContact CD1-CG 4.48Å; L543-M572 HydrophobicContact CD1-CE 3.59Å; L543-F741 HydrophobicContact CD2-CD2 3.94Å; L543-F741 HydrophobicContact CD2-CE2 4.1Å; L543-F741 HydrophobicContact CG-CD2 4.38Å
544	S	97.9	Very high	97.3	Very high	44 Å²	44	56.1 Å²	56.1	31%	0.308	27%	0.272	S	S	.	.	H	α-helix	trans	-59.4	-52.1	171.4	-85.1	0	0	0	0	112	Q540 R541 C542 L546 M547 Y558	Q540-S544 PolarHBondContact NE2-OG 2.91Å; Q540-S544 WeakPolarHBondContact O-CB 3.35Å; Q540-S544 PolarHBondContact O-N 3Å; R541-S544 PolarHBondContact O-N 3.29Å; C542-S544 VanDerWaalsContact C-N 3.31Å; C542-S544 PolarHBondContact O-N 3.33Å; S544-L546 PolarHBondContact O-N 3.16Å; S544-M547 PolarHBondContact O-N 3.5Å; S544-Y558 WeakPolarHBondContact OG-CE1 3.48Å
545	R	97.9	Very high	97.5	Very high	126 Å²	126	51.3 Å²	51.3	48%	0.475	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-41.1	178.1	-73.2	179.1	166.3	-171.8	-10.2	112.2	R541 C542 M547 E548 D549 F713 H717	R541-R545 PolarHBondContact O-N 2.86Å; R541-R545 VanDerWaalsContact O-N 3.07Å; C542-R545 PolarHBondContact O-N 2.91Å; R545-M547 PolarHBondContact O-N 3.48Å; R545-E548 WeakPolarHBondContact O-CA 3.44Å; R545-E548 PolarHBondContact O-N 3.01Å; R545-D549 PolarHBondContact O-N 3.08Å; R545-D549 VanDerWaalsContact O-N 3.09Å; R545-F713 HydrophobicContact CB-CD2 3.73Å; R545-F713 HydrophobicContact CB-CE2 4.01Å; R545-H717 PolarHBondContact NH1-CE1 3.4Å; R545-H717 PolarHBondContact NH1-NE2 2.72Å
546	L	98.5	Very high	97.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66	-18.4	178.5	-74.1	162.1	0	0	0	113.7	C542 S544 E548 L551 K552 V555 F713 F741	C542-L546 HydrophobicContact CB-CD1 4.44Å; C542-L546 WeakPolarHBondContact O-CB 3.34Å; C542-L546 WeakPolarHBondContact O-CD1 3.38Å; C542-L546 VanDerWaalsContact O-CG 3.26Å; C542-L546 WeakPolarHBondContact O-CG 3.48Å; C542-L546 PolarHBondContact O-N 2.99Å; S544-L546 PolarHBondContact O-N 3.16Å; L546-E548 VanDerWaalsContact C-N 3.26Å; L546-L551 HydrophobicContact CD2-CB 3.78Å; L546-L551 HydrophobicContact CD2-CD1 3.88Å; L546-K552 WeakPolarHBondContact O-CA 3.23Å; L546-K552 WeakPolarHBondContact O-CB 3.4Å; L546-V555 HydrophobicContact CB-CG2 4.2Å; L546-V555 HydrophobicContact CD1-CG1 4.25Å; L546-V555 HydrophobicContact CD2-CG1 4.22Å; L546-F713 HydrophobicContact CD1-CE1 4.05Å; L546-F713 HydrophobicContact CD1-CZ 4.02Å; L546-F713 HydrophobicContact CD2-CD1 3.5Å; L546-F713 VanDerWaalsContact CD2-CD1 3.5Å; L546-F713 HydrophobicContact CD2-CD2 4.5Å; L546-F713 HydrophobicContact CD2-CE1 3.7Å; L546-F713 HydrophobicContact CD2-CG 3.94Å; L546-F713 HydrophobicContact CD2-CZ 4.29Å; L546-F713 HydrophobicContact CG-CD1 4.05Å; L546-F713 HydrophobicContact CG-CD2 4.33Å; L546-F713 HydrophobicContact CG-CE1 3.91Å; L546-F713 HydrophobicContact CG-CE2 4.19Å; L546-F713 HydrophobicContact CG-CG 4.26Å; L546-F713 HydrophobicContact CG-CZ 3.98Å; L546-F741 HydrophobicContact CD1-CD1 4.01Å; L546-F741 HydrophobicContact CD1-CD2 3.9Å; L546-F741 HydrophobicContact CD1-CE1 3.77Å; L546-F741 HydrophobicContact CD1-CE2 3.66Å; L546-F741 HydrophobicContact CD1-CG 4.08Å; L546-F741 HydrophobicContact CD1-CZ 3.58Å
547	M	98.5	Very high	97.8	Very high	28 Å²	28	48.4 Å²	48.4	14%	0.138	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-7.5	170	-70.5	-60.6	103.1	0	0	113.5	L543 S544 R545 K552 V555 P556 Y558	L543-M547 WeakPolarHBondContact O-CG 3.41Å; L543-M547 PolarHBondContact O-N 3.45Å; S544-M547 PolarHBondContact O-N 3.5Å; R545-M547 PolarHBondContact O-N 3.48Å; M547-K552 HydrophobicContact CE-CG 4.05Å; M547-K552 WeakPolarHBondContact O-CD 3.28Å; M547-K552 VanDerWaalsContact O-CE 3.28Å; M547-K552 WeakPolarHBondContact O-CE 3.08Å; M547-K552 PolarHBondContact O-NZ 3.06Å; M547-K552 HydrophobicContact SD-CG 4.19Å; M547-V555 HydrophobicContact CE-CG2 3.52Å; M547-P556 WeakPolarHBondContact CE-O 3.39Å; M547-Y558 HydrophobicContact CG-CD1 4.45Å; M547-Y558 PolarHBondContact SD-N 3.24Å
548	E	98.2	Very high	97.9	Very high	180 Å²	180	45.4 Å²	45.4	84%	0.841	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-12.4	177.1	-63	173.8	175.7	0	0	111.9	R545 L546	R545-E548 WeakPolarHBondContact O-CA 3.44Å; R545-E548 PolarHBondContact O-N 3.01Å; L546-E548 VanDerWaalsContact C-N 3.26Å
549	D	98.7	Very high	98	Very high	20 Å²	20	47.7 Å²	47.7	11%	0.107	23%	0.23	C	C	.	.	S	Bend	trans	-88.4	161.5	-179.8	-167	-94.1	0	0	0	113.8	R545 L551 K552 S711 P712 F713	R545-D549 PolarHBondContact O-N 3.08Å; R545-D549 VanDerWaalsContact O-N 3.09Å; D549-L551 PolarHBondContact O-N 3.08Å; D549-L551 WeakPolarHBondContact OD1-CB 3.43Å; D549-L551 WeakPolarHBondContact OD1-CG 3.38Å; D549-L551 PolarHBondContact OD1-N 2.83Å; D549-K552 VanDerWaalsContact O-CB 3.28Å; D549-K552 WeakPolarHBondContact O-CB 3.45Å; D549-K552 PolarHBondContact O-N 3Å; D549-K552 VanDerWaalsContact O-N 3.15Å; D549-S711 WeakPolarHBondContact OD1-CB 3.36Å; D549-S711 PolarHBondContact OD1-OG 2.85Å; D549-S711 PolarHBondContact OD2-OG 2.69Å; D549-S711 VanDerWaalsContact OD2-OG 3.14Å; D549-P712 WeakPolarHBondContact OD2-CD 3.43Å; D549-F713 HydrophobicContact CB-CB 4.02Å; D549-F713 VanDerWaalsContact CG-CB 3.48Å; D549-F713 WeakPolarHBondContact OD2-CB 3.16Å; D549-F713 PolarHBondContact OD2-N 2.66Å
550	V	98.6	Very high	97.9	Very high	68 Å²	68	48.5 Å²	48.5	41%	0.412	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.2	172.4	-66.7	0	0	0	0	113.5	K552 P553 T707 I710	V550-K552 PolarHBondContact O-N 3.26Å; V550-P553 WeakPolarHBondContact O-CD 3.07Å; V550-T707 HydrophobicContact CB-CG2 4.03Å; V550-T707 HydrophobicContact CG2-CG2 3.9Å; V550-T707 WeakPolarHBondContact O-CG2 3.26Å; V550-I710 HydrophobicContact CG2-CG1 4.34Å
551	L	98.7	Very high	97.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.5	175.1	-71.4	173	0	0	0	114.7	L546 D549 P553 Y554 T707 L708 S711 F713 F714 M738	L546-L551 HydrophobicContact CD2-CB 3.78Å; L546-L551 HydrophobicContact CD2-CD1 3.88Å; D549-L551 PolarHBondContact O-N 3.08Å; D549-L551 WeakPolarHBondContact OD1-CB 3.43Å; D549-L551 WeakPolarHBondContact OD1-CG 3.38Å; D549-L551 PolarHBondContact OD1-N 2.83Å; L551-P553 VanDerWaalsContact C-N 3.31Å; L551-P553 VanDerWaalsContact O-N 3.12Å; L551-Y554 WeakPolarHBondContact O-CA 3.42Å; L551-Y554 WeakPolarHBondContact O-CB 3.36Å; L551-Y554 PolarHBondContact O-N 3.4Å; L551-T707 HydrophobicContact CD2-CG2 3.84Å; L551-T707 HydrophobicContact CG-CG2 4.41Å; L551-L708 HydrophobicContact CD1-CD2 3.8Å; L551-L708 HydrophobicContact CD2-CD2 3.58Å; L551-L708 HydrophobicContact CD2-CG 3.91Å; L551-L708 HydrophobicContact CG-CD2 4.33Å; L551-S711 WeakPolarHBondContact CD1-OG 3.5Å; L551-F713 HydrophobicContact CD1-CD1 4.23Å; L551-F714 HydrophobicContact CD1-CB 4.16Å; L551-M738 HydrophobicContact CD1-SD 4.36Å; L551-M738 HydrophobicContact CD2-SD 4.08Å
552	K	98.6	Very high	97.7	Very high	105 Å²	105	45.2 Å²	45.2	46%	0.457	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-45.8	-40.9	-179.9	-173.2	177.5	-163.9	159.1	0	115.5	L546 M547 D549 V550 Y554	L546-K552 WeakPolarHBondContact O-CA 3.23Å; L546-K552 WeakPolarHBondContact O-CB 3.4Å; M547-K552 HydrophobicContact CE-CG 4.05Å; M547-K552 WeakPolarHBondContact O-CD 3.28Å; M547-K552 VanDerWaalsContact O-CE 3.28Å; M547-K552 WeakPolarHBondContact O-CE 3.08Å; M547-K552 PolarHBondContact O-NZ 3.06Å; M547-K552 HydrophobicContact SD-CG 4.19Å; D549-K552 VanDerWaalsContact O-CB 3.28Å; D549-K552 WeakPolarHBondContact O-CB 3.45Å; D549-K552 PolarHBondContact O-N 3Å; D549-K552 VanDerWaalsContact O-N 3.15Å; V550-K552 PolarHBondContact O-N 3.26Å; K552-Y554 PolarHBondContact O-N 2.82Å
553	P	98.4	Very high	97.5	Very high	81 Å²	81	52.2 Å²	52.2	53%	0.526	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-73.8	-2.7	177.9	-16.4	32.9	0	0	0	114.9	V550 L551 R700	V550-P553 WeakPolarHBondContact O-CD 3.07Å; L551-P553 VanDerWaalsContact C-N 3.31Å; L551-P553 VanDerWaalsContact O-N 3.12Å; P553-R700 PolarHBondContact O-NH2 3.22Å
554	Y	98.6	Very high	97.1	Very high	28 Å²	28	56.7 Å²	56.7	11%	0.11	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-119.4	8.7	-172.6	-53.3	-86.1	0	0	0	112.9	L551 K552 R700 E703 I704 T707 W737 M738	L551-Y554 WeakPolarHBondContact O-CA 3.42Å; L551-Y554 WeakPolarHBondContact O-CB 3.36Å; L551-Y554 PolarHBondContact O-N 3.4Å; K552-Y554 PolarHBondContact O-N 2.82Å; Y554-R700 VanDerWaalsContact CD1-NH2 3.31Å; Y554-R700 VanDerWaalsContact CE1-CZ 3.45Å; Y554-E703 HydrophobicContact CE1-CB 3.79Å; Y554-I704 HydrophobicContact CD1-CB 4.38Å; Y554-I704 HydrophobicContact CD1-CD1 4.31Å; Y554-I704 HydrophobicContact CD1-CG1 3.32Å; Y554-I704 HydrophobicContact CE1-CG1 3.87Å; Y554-I704 HydrophobicContact CG-CG1 4.12Å; Y554-T707 HydrophobicContact CD2-CG2 3.96Å; Y554-T707 HydrophobicContact CE2-CG2 3.59Å; Y554-T707 WeakPolarHBondContact CE2-OG1 3.44Å; Y554-T707 VanDerWaalsContact CZ-OG1 3.26Å; Y554-T707 PolarHBondContact OH-OG1 2.91Å; Y554-T707 VanDerWaalsContact OH-OG1 3.05Å; Y554-W737 CarbonylContact O-C 3.16Å; Y554-W737 WeakPolarHBondContact O-CA 3.47Å; Y554-W737 WeakPolarHBondContact O-CB 3.42Å; Y554-M738 PolarHBondContact O-N 3.07Å
555	V	98.4	Very high	96.7	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.012	30%	0.304	C	S	.	.	S	Bend	trans	-130.2	163.8	176.8	-56.2	0	0	0	0	109.9	L546 M547 G557 M738 F741	L546-V555 HydrophobicContact CB-CG2 4.2Å; L546-V555 HydrophobicContact CD1-CG1 4.25Å; L546-V555 HydrophobicContact CD2-CG1 4.22Å; M547-V555 HydrophobicContact CE-CG2 3.52Å; V555-G557 PolarHBondContact O-N 3.09Å; V555-M738 HydrophobicContact CG1-CB 4.27Å; V555-F741 HydrophobicContact CB-CE2 4.43Å; V555-F741 HydrophobicContact CB-CZ 4.45Å; V555-F741 HydrophobicContact CG1-CE2 4.19Å; V555-F741 HydrophobicContact CG1-CZ 3.75Å
556	P	97.3	Very high	96.4	Very high	6 Å²	6	57.7 Å²	57.7	4%	0.039	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-60.1	131.7	169.1	-19	29.3	0	0	0	111.4	M547 Y558 M572 E573 L575 M738 I739	M547-P556 WeakPolarHBondContact CE-O 3.39Å; P556-Y558 PolarHBondContact O-N 3.14Å; P556-Y558 VanDerWaalsContact O-N 3.13Å; P556-M572 HydrophobicContact CB-CB 4.15Å; P556-M572 HydrophobicContact CB-CG 4.47Å; P556-M572 HydrophobicContact CB-SD 4.37Å; P556-E573 HydrophobicContact CB-CB 4.46Å; P556-L575 HydrophobicContact CB-CD2 4.11Å; P556-L575 HydrophobicContact CG-CD1 4.07Å; P556-L575 HydrophobicContact CG-CD2 4.18Å; P556-L575 HydrophobicContact CG-CG 4.26Å; P556-M738 WeakPolarHBondContact CD-O 3.21Å; P556-I739 HydrophobicContact CG-CG2 4.03Å
557	G	96.8	Very high	96.1	Very high	14 Å²	14	60.6 Å²	60.6	14%	0.144	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-56.8	116.4	171.3	0	0	0	0	0	111.4	V555 M572 E573	V555-G557 PolarHBondContact O-N 3.09Å; G557-M572 CarbonylContact O-C 3.42Å; G557-M572 VanDerWaalsContact O-CA 3.24Å; G557-M572 WeakPolarHBondContact O-CA 3.2Å; G557-E573 PolarHBondContact N-OE2 3.46Å; G557-E573 PolarHBondContact O-N 3.38Å
558	Y	97.7	Very high	96	Very high	26 Å²	26	62.6 Å²	62.6	10%	0.102	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138.5	179.9	173.4	-116.6	0	0	0	111.2	Q540 L543 S544 M547 P556 G560 D561 N570 Q571	Q540-Y558 WeakPolarHBondContact CG-OH 3.3Å; L543-Y558 HydrophobicContact CB-CD1 3.99Å; L543-Y558 HydrophobicContact CB-CD2 4.06Å; L543-Y558 HydrophobicContact CB-CG 3.72Å; L543-Y558 HydrophobicContact CD1-CD2 4.05Å; L543-Y558 HydrophobicContact CD1-CG 4.48Å; S544-Y558 WeakPolarHBondContact OG-CE1 3.48Å; M547-Y558 HydrophobicContact CG-CD1 4.45Å; M547-Y558 PolarHBondContact SD-N 3.24Å; P556-Y558 PolarHBondContact O-N 3.14Å; P556-Y558 VanDerWaalsContact O-N 3.13Å; Y558-G560 VanDerWaalsContact CE2-O 3.31Å; Y558-G560 WeakPolarHBondContact CE2-O 3.47Å; Y558-G560 VanDerWaalsContact OH-CA 3.28Å; Y558-G560 WeakPolarHBondContact OH-CA 3.32Å; Y558-D561 PolarHBondContact OH-N 3.39Å; Y558-N570 HydrophobicContact CE2-CB 4.18Å; Y558-Q571 VanDerWaalsContact CD2-O 3.24Å; Y558-Q571 WeakPolarHBondContact CD2-O 3.26Å
559	H	96.4	Very high	95.9	Very high	86 Å²	86	54.6 Å²	54.6	40%	0.398	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	11.9	-170.4	-62.5	-43.2	0	0	0	113.9	R530 Q571	R530-H559 VanDerWaalsContact CD-CD2 3.48Å; R530-H559 WeakPolarHBondContact CD-CD2 3.34Å; R530-H559 PolarHBondContact NE-CD2 3.4Å; R530-H559 PolarHBondContact NE-NE2 2.86Å; H559-Q571 HydrophobicContact CB-CB 4.33Å; H559-Q571 HydrophobicContact CB-CG 4.07Å; H559-Q571 PolarHBondContact N-O 2.96Å
560	G	95.8	Very high	95.7	Very high	22 Å²	22	53.7 Å²	53.7	23%	0.227	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.9	-177.2	-177.7	0	0	0	0	0	113.9	Y558 Q571	Y558-G560 VanDerWaalsContact CE2-O 3.31Å; Y558-G560 WeakPolarHBondContact CE2-O 3.47Å; Y558-G560 VanDerWaalsContact OH-CA 3.28Å; Y558-G560 WeakPolarHBondContact OH-CA 3.32Å; G560-Q571 PolarHBondContact O-N 2.76Å
561	D	94.8	Very high	95.6	Very high	66 Å²	66	51.8 Å²	51.8	35%	0.353	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	144	175.2	-67.4	-47.5	0	0	0	111	H535 Y558 K568 Y569	H535-D561 IonicContact CE1-OD1 2.71Å; H535-D561 PolarHBondContact CE1-OD1 3.08Å; H535-D561 IonicContact ND1-OD1 3.23Å; H535-D561 PolarHBondContact ND1-OD1 3.22Å; Y558-D561 PolarHBondContact OH-N 3.39Å; D561-K568 VanDerWaalsContact CB-CE 3.45Å; D561-K568 VanDerWaalsContact CG-NZ 3.28Å; D561-K568 WeakPolarHBondContact OD1-CE 3.34Å; D561-K568 IonicContact OD1-NZ 3.94Å; D561-K568 PolarHBondContact OD1-NZ 3.07Å; D561-K568 WeakPolarHBondContact OD2-CE 3.01Å; D561-K568 IonicContact OD2-NZ 3.04Å; D561-K568 PolarHBondContact OD2-NZ 3.05Å; D561-Y569 WeakPolarHBondContact CA-O 3.29Å
562	V	94.8	Very high	95.5	Very high	43 Å²	43	52.4 Å²	52.4	26%	0.261	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	143.5	164.6	-58.9	0	0	0	0	110.7	L532 Y569 Q571	L532-V562 HydrophobicContact CD1-CG2 4.12Å; L532-V562 HydrophobicContact CD2-CG2 3.57Å; L532-V562 HydrophobicContact CG-CG2 4.41Å; V562-Y569 PolarHBondContact N-O 3.02Å; V562-Y569 PolarHBondContact O-N 2.81Å; V562-Q571 HydrophobicContact CG1-CB 4.09Å; V562-Q571 HydrophobicContact CG2-CB 4.28Å
563	E	95.2	Very high	95.3	Very high	149 Å²	149	51 Å²	51	70%	0.696	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.9	171	-163.9	177.8	152.9	0	0	110
564	K	89.9	Confident	95.1	Very high	97 Å²	97	48 Å²	48	42%	0.422	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	130.4	176.3	-168.1	-176.1	171.7	174.4	0	109.9	L532 G566 Q567 Y569	L532-K564 HydrophobicContact CD1-CD 4.27Å; K564-G566 PolarHBondContact O-N 2.86Å; K564-Q567 PolarHBondContact N-O 2.83Å; K564-Q567 PolarHBondContact O-N 2.91Å; K564-Q567 VanDerWaalsContact O-O 3.07Å; K564-Y569 HydrophobicContact CB-CD2 4.25Å; K564-Y569 HydrophobicContact CB-CE2 4.22Å
565	D	89.2	Confident	94.9	Very high	125 Å²	125	47.2 Å²	47.2	67%	0.668	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	33.4	180	-36	-45.3	0	0	0	112.9	K524 Q567	K524-D565 IonicContact NZ-OD2 3.22Å; K524-D565 PolarHBondContact NZ-OD2 2.66Å; D565-Q567 VanDerWaalsContact C-N 3.25Å; D565-Q567 PolarHBondContact O-N 3.14Å
566	G	91.1	Very high	94.7	Very high	66 Å²	66	47.5 Å²	47.5	68%	0.68	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	9	-175.5	0	0	0	0	0	115.1	K564	K564-G566 PolarHBondContact O-N 2.86Å
567	Q	93.5	Very high	94.4	Very high	60 Å²	60	48.7 Å²	48.7	28%	0.28	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.5	178	172.1	66.2	86.8	0	0	109.7	K564 D565 Y569	K564-Q567 PolarHBondContact N-O 2.83Å; K564-Q567 PolarHBondContact O-N 2.91Å; K564-Q567 VanDerWaalsContact O-O 3.07Å; D565-Q567 VanDerWaalsContact C-N 3.25Å; D565-Q567 PolarHBondContact O-N 3.14Å; Q567-Y569 HydrophobicContact CB-CE2 3.75Å; Q567-Y569 HydrophobicContact CG-CD2 4.24Å; Q567-Y569 HydrophobicContact CG-CE1 4.34Å; Q567-Y569 HydrophobicContact CG-CE2 3.49Å; Q567-Y569 VanDerWaalsContact CG-CE2 3.49Å; Q567-Y569 WeakPolarHBondContact CG-OH 3.43Å; Q567-Y569 WeakPolarHBondContact O-CD2 3.48Å; Q567-Y569 VanDerWaalsContact O-CE2 3.24Å; Q567-Y569 WeakPolarHBondContact O-CE2 3.2Å
568	K	95.4	Very high	94.1	Very high	70 Å²	70	52.7 Å²	52.7	30%	0.304	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	140.5	173.1	-166.5	178.4	172.3	-164	0	111.3	H535 D561	H535-K568 HydrophobicContact CB-CB 3.92Å; H535-K568 HydrophobicContact CB-CD 4.27Å; H535-K568 HydrophobicContact CB-CG 3.81Å; H535-K568 WeakPolarHBondContact CB-O 3.49Å; H535-K568 VanDerWaalsContact CE1-CE 3.47Å; H535-K568 WeakPolarHBondContact CE1-CE 3.4Å; H535-K568 PolarHBondContact CE1-NZ 3.15Å; H535-K568 PolarHBondContact N-O 3.24Å; H535-K568 VanDerWaalsContact N-O 3.12Å; H535-K568 PolarHBondContact NE2-NZ 2.86Å; D561-K568 VanDerWaalsContact CB-CE 3.45Å; D561-K568 VanDerWaalsContact CG-NZ 3.28Å; D561-K568 WeakPolarHBondContact OD1-CE 3.34Å; D561-K568 IonicContact OD1-NZ 3.94Å; D561-K568 PolarHBondContact OD1-NZ 3.07Å; D561-K568 WeakPolarHBondContact OD2-CE 3.01Å; D561-K568 IonicContact OD2-NZ 3.04Å; D561-K568 PolarHBondContact OD2-NZ 3.05Å
569	Y	95.6	Very high	93.8	Very high	13 Å²	13	51.5 Å²	51.5	5%	0.051	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.6	178	-66.2	-92.5	0	0	0	111	K524 L532 K533 K534 D561 V562 K564 Q567	K524-Y569 HydrophobicContact CD-CE1 4.11Å; K524-Y569 HydrophobicContact CD-CE2 4.22Å; K524-Y569 WeakPolarHBondContact CD-OH 3.38Å; K524-Y569 WeakPolarHBondContact CE-OH 3.33Å; K524-Y569 HydrophobicContact CG-CE1 4.3Å; K524-Y569 PolarHBondContact NZ-OH 2.94Å; L532-Y569 HydrophobicContact CB-CD1 3.93Å; L532-Y569 HydrophobicContact CB-CG 3.99Å; K533-Y569 CarbonylContact O-C 3.44Å; K533-Y569 VanDerWaalsContact O-CA 3.24Å; K533-Y569 WeakPolarHBondContact O-CA 3.46Å; K533-Y569 WeakPolarHBondContact O-CB 3.25Å; K534-Y569 HydrophobicContact CB-CD1 4.41Å; K534-Y569 HydrophobicContact CB-CE1 4.26Å; D561-Y569 WeakPolarHBondContact CA-O 3.29Å; V562-Y569 PolarHBondContact N-O 3.02Å; V562-Y569 PolarHBondContact O-N 2.81Å; K564-Y569 HydrophobicContact CB-CD2 4.25Å; K564-Y569 HydrophobicContact CB-CE2 4.22Å; Q567-Y569 HydrophobicContact CB-CE2 3.75Å; Q567-Y569 HydrophobicContact CG-CD2 4.24Å; Q567-Y569 HydrophobicContact CG-CE1 4.34Å; Q567-Y569 HydrophobicContact CG-CE2 3.49Å; Q567-Y569 VanDerWaalsContact CG-CE2 3.49Å; Q567-Y569 WeakPolarHBondContact CG-OH 3.43Å; Q567-Y569 WeakPolarHBondContact O-CD2 3.48Å; Q567-Y569 VanDerWaalsContact O-CE2 3.24Å; Q567-Y569 WeakPolarHBondContact O-CE2 3.2Å
570	N	95.9	Very high	93.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	120.4	164	-63.5	-0.6	0	0	0	107.5	K533 H535 Y558 M572	K533-N570 PolarHBondContact N-O 3.02Å; K533-N570 PolarHBondContact O-N 3.28Å; H535-N570 PolarHBondContact ND1-OD1 3.16Å; Y558-N570 HydrophobicContact CE2-CB 4.18Å; N570-M572 HydrophobicContact CB-CE 4.22Å
571	Q	96.1	Very high	93.3	Very high	28 Å²	28	56.8 Å²	56.8	13%	0.131	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.3	172.3	-176.1	171.3	92.8	0	0	110	R530 L532 Y558 H559 G560 V562	R530-Q571 HydrophobicContact CB-CG 4.26Å; L532-Q571 HydrophobicContact CD2-CB 3.9Å; L532-Q571 HydrophobicContact CD2-CG 3.81Å; Y558-Q571 VanDerWaalsContact CD2-O 3.24Å; Y558-Q571 WeakPolarHBondContact CD2-O 3.26Å; H559-Q571 HydrophobicContact CB-CB 4.33Å; H559-Q571 HydrophobicContact CB-CG 4.07Å; H559-Q571 PolarHBondContact N-O 2.96Å; G560-Q571 PolarHBondContact O-N 2.76Å; V562-Q571 HydrophobicContact CG1-CB 4.09Å; V562-Q571 HydrophobicContact CG2-CB 4.28Å
572	M	95.8	Very high	93.3	Very high	13 Å²	13	53.8 Å²	53.8	6%	0.064	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	166.6	-179.7	62.3	-174.4	57.4	0	0	111.5	R530 I531 K533 L543 P556 G557 N570	R530-M572 CarbonylContact C-O 3.57Å; R530-M572 VanDerWaalsContact CA-O 3.24Å; R530-M572 WeakPolarHBondContact CA-O 3.35Å; R530-M572 WeakPolarHBondContact CB-O 3.46Å; I531-M572 HydrophobicContact CG2-CG 3.44Å; I531-M572 VanDerWaalsContact CG2-CG 3.44Å; I531-M572 HydrophobicContact CG2-SD 4.23Å; I531-M572 PolarHBondContact N-O 3.19Å; I531-M572 PolarHBondContact O-N 2.98Å; K533-M572 HydrophobicContact CB-CE 3.87Å; K533-M572 HydrophobicContact CB-SD 4.31Å; K533-M572 HydrophobicContact CD-CE 4.11Å; L543-M572 HydrophobicContact CD1-CE 3.59Å; P556-M572 HydrophobicContact CB-CB 4.15Å; P556-M572 HydrophobicContact CB-CG 4.47Å; P556-M572 HydrophobicContact CB-SD 4.37Å; G557-M572 CarbonylContact O-C 3.42Å; G557-M572 VanDerWaalsContact O-CA 3.24Å; G557-M572 WeakPolarHBondContact O-CA 3.2Å; N570-M572 HydrophobicContact CB-CE 4.22Å
573	E	95.3	Very high	93.4	Very high	76 Å²	76	51.9 Å²	51.9	36%	0.355	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	138.9	171.1	-176.3	177.3	-170.5	0	0	111.9	P556 G557 L575	P556-E573 HydrophobicContact CB-CB 4.46Å; G557-E573 PolarHBondContact N-OE2 3.46Å; G557-E573 PolarHBondContact O-N 3.38Å; E573-L575 HydrophobicContact CG-CD2 4.45Å; E573-L575 PolarHBondContact O-N 2.74Å
574	D	93.6	Very high	93.5	Very high	17 Å²	17	45 Å²	45	9%	0.091	23%	0.231	C	C	.	.			trans	-88.1	101	168.1	-168.3	-30.8	0	0	0	109.5	Y511 G529 I531 L576 A577	Y511-D574 PolarHBondContact OH-OD2 2.69Å; G529-D574 PolarHBondContact O-N 2.87Å; I531-D574 HydrophobicContact CB-CB 4.4Å; D574-L576 PolarHBondContact O-N 3.49Å; D574-L576 WeakPolarHBondContact OD1-CB 3.5Å; D574-L576 PolarHBondContact OD1-N 2.92Å; D574-A577 HydrophobicContact CB-CB 4.36Å; D574-A577 VanDerWaalsContact O-CB 3.28Å; D574-A577 WeakPolarHBondContact O-CB 3.43Å; D574-A577 PolarHBondContact O-N 2.92Å
575	L	94.8	Very high	93.9	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.068	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.1	-179.1	-57.5	-175.2	0	0	0	113.7	P556 E573 F579 L725 W737 I739	P556-L575 HydrophobicContact CB-CD2 4.11Å; P556-L575 HydrophobicContact CG-CD1 4.07Å; P556-L575 HydrophobicContact CG-CD2 4.18Å; P556-L575 HydrophobicContact CG-CG 4.26Å; E573-L575 HydrophobicContact CG-CD2 4.45Å; E573-L575 PolarHBondContact O-N 2.74Å; L575-F579 WeakPolarHBondContact O-CD2 3.11Å; L575-F579 WeakPolarHBondContact O-CE2 3.38Å; L575-L725 HydrophobicContact CD1-CD2 3.85Å; L575-W737 HydrophobicContact CB-CE3 4.38Å; L575-W737 HydrophobicContact CB-CH2 4.11Å; L575-W737 HydrophobicContact CB-CZ2 4.34Å; L575-W737 HydrophobicContact CB-CZ3 4.17Å; L575-W737 HydrophobicContact CD1-CB 3.86Å; L575-W737 HydrophobicContact CD1-CD2 3.77Å; L575-W737 HydrophobicContact CD1-CE3 3.86Å; L575-W737 HydrophobicContact CD1-CG 3.83Å; L575-W737 HydrophobicContact CD1-CZ3 4.45Å; L575-W737 HydrophobicContact CD2-CD2 3.9Å; L575-W737 HydrophobicContact CD2-CG 4.03Å; L575-W737 HydrophobicContact CD2-CZ2 3.97Å; L575-W737 HydrophobicContact CG-CD2 4.29Å; L575-W737 HydrophobicContact CG-CE3 4.5Å; L575-I739 HydrophobicContact CD1-CG2 4.06Å
576	L	93.1	Very high	94.3	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.037	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-12.9	-178.2	-52	-176.3	0	0	0	112.7	Y511 W513 I514 D574 E578 F579 P582 V584 V727	Y511-L576 HydrophobicContact CE2-CB 4.18Å; W513-L576 HydrophobicContact CZ3-CD1 4.4Å; I514-L576 HydrophobicContact CB-CD1 3.92Å; I514-L576 HydrophobicContact CD1-CD1 3.86Å; I514-L576 HydrophobicContact CG1-CD1 4.43Å; D574-L576 PolarHBondContact O-N 3.49Å; D574-L576 WeakPolarHBondContact OD1-CB 3.5Å; D574-L576 PolarHBondContact OD1-N 2.92Å; L576-E578 VanDerWaalsContact C-N 3.29Å; L576-E578 PolarHBondContact O-N 2.96Å; L576-F579 PolarHBondContact O-N 3.42Å; L576-P582 HydrophobicContact CB-CG 4.28Å; L576-P582 HydrophobicContact CD2-CB 4.41Å; L576-P582 HydrophobicContact CD2-CG 4.34Å; L576-V584 HydrophobicContact CD1-CG2 4.48Å; L576-V584 HydrophobicContact CD2-CG2 3.86Å; L576-V727 HydrophobicContact CD2-CB 4.39Å; L576-V727 HydrophobicContact CD2-CG1 3.67Å; L576-V727 HydrophobicContact CD2-CG2 3.71Å
577	A	90.8	Very high	94.6	Very high	31 Å²	31	31.6 Å²	31.6	26%	0.256	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-34.9	-170.5	0	0	0	0	0	114.5	K509 Y511 D574	K509-A577 PolarHBondContact NZ-O 2.55Å; Y511-A577 VanDerWaalsContact OH-CA 3.27Å; Y511-A577 WeakPolarHBondContact OH-CA 3.39Å; Y511-A577 WeakPolarHBondContact OH-CB 3.38Å; D574-A577 HydrophobicContact CB-CB 4.36Å; D574-A577 VanDerWaalsContact O-CB 3.28Å; D574-A577 WeakPolarHBondContact O-CB 3.43Å; D574-A577 PolarHBondContact O-N 2.92Å
578	E	90.3	Very high	94.9	Very high	99 Å²	99	29.7 Å²	29.7	46%	0.463	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-38.8	176	-66.3	-172.5	157.8	0	0	112.4	K509 L576 R733 K735	K509-E578 PolarHBondContact NZ-O 3.01Å; L576-E578 VanDerWaalsContact C-N 3.29Å; L576-E578 PolarHBondContact O-N 2.96Å; E578-R733 PolarHBondContact O-NH1 3.12Å; E578-R733 PolarHBondContact O-NH2 2.81Å; E578-K735 IonicContact OE1-NZ 3.92Å; E578-K735 PolarHBondContact OE1-NZ 2.78Å; E578-K735 IonicContact OE2-NZ 2.7Å; E578-K735 PolarHBondContact OE2-NZ 2.85Å
579	F	92.4	Very high	95	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	13%	0.125	C	C	.	.			trans	-78.7	144.2	-161.4	-68.6	-100.2	0	0	0	113.6	K509 L575 L576 P582 V727 D729 R733 K735 W737	K509-F579 WeakPolarHBondContact CE-O 3.42Å; K509-F579 VanDerWaalsContact NZ-C 3.29Å; K509-F579 PolarHBondContact NZ-O 3.26Å; L575-F579 WeakPolarHBondContact O-CD2 3.11Å; L575-F579 WeakPolarHBondContact O-CE2 3.38Å; L576-F579 PolarHBondContact O-N 3.42Å; F579-P582 HydrophobicContact CB-CB 3.74Å; F579-P582 HydrophobicContact CB-CG 4Å; F579-P582 HydrophobicContact CG-CB 4.41Å; F579-V727 HydrophobicContact CB-CG1 4.39Å; F579-V727 HydrophobicContact CD1-CG1 3.72Å; F579-V727 HydrophobicContact CD2-CG1 3.84Å; F579-V727 HydrophobicContact CE1-CB 4.28Å; F579-V727 HydrophobicContact CE1-CG1 3.87Å; F579-V727 HydrophobicContact CE2-CB 4.45Å; F579-V727 HydrophobicContact CE2-CG1 4.04Å; F579-V727 HydrophobicContact CG-CG1 3.7Å; F579-V727 HydrophobicContact CZ-CB 4.21Å; F579-V727 HydrophobicContact CZ-CG1 4.04Å; F579-D729 HydrophobicContact CB-CB 4.43Å; F579-D729 HydrophobicContact CD1-CB 4.11Å; F579-R733 HydrophobicContact CD1-CB 4.22Å; F579-R733 HydrophobicContact CE1-CB 3.8Å; F579-R733 HydrophobicContact CZ-CB 4.5Å; F579-K735 HydrophobicContact CE2-CD 4.37Å; F579-K735 HydrophobicContact CZ-CB 4.05Å; F579-K735 HydrophobicContact CZ-CD 4.05Å; F579-K735 HydrophobicContact CZ-CG 4.07Å; F579-W737 AromaticContact CE2-CH2 3.85Å; F579-W737 HydrophobicContact CE2-CH2 3.85Å; F579-W737 HydrophobicContact CZ-CH2 4.15Å
580	D	91.3	Very high	95.1	Very high	41 Å²	41	25.8 Å²	25.8	22%	0.219	12%	0.123	C	C	.	.	S	Bend	trans	-99.7	109.5	-179.9	-63.8	-38.6	0	0	0	109.6	K509 D729 R731 R733	K509-D580 WeakPolarHBondContact CE-OD1 3.32Å; K509-D580 IonicContact NZ-OD1 2.69Å; K509-D580 PolarHBondContact NZ-OD1 3.18Å; D580-D729 PolarHBondContact N-OD2 3.42Å; D580-D729 VanDerWaalsContact O-CB 3.27Å; D580-D729 WeakPolarHBondContact O-CB 3.47Å; D580-R731 WeakPolarHBondContact OD2-CD 3.42Å; D580-R731 IonicContact OD2-CZ 3.64Å; D580-R731 IonicContact OD2-NE 2.8Å; D580-R731 IonicContact OD2-NH1 3.17Å; D580-R731 PolarHBondContact OD2-NH1 3.19Å; D580-R733 IonicContact OD1-NH2 2.59Å; D580-R733 IonicContact OD2-NH2 2.8Å; D580-R733 PolarHBondContact OD2-NH2 2.89Å
581	Y	90.7	Very high	95.1	Very high	178 Å²	178	27.5 Å²	27.5	70%	0.698	13%	0.133	S	C	*	.	S	Bend	trans	52.5	52.8	-173.2	-58.3	-82.8	0	0	0	114.9	C583	Y581-C583 PolarHBondContact O-N 3.49Å
582	P	94.4	Very high	95	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.013	13%	0.127	C	C	.	.			trans	-55.2	134.2	-168.4	18.2	-30.8	0	0	0	114.6	I514 L576 F579 V584 K660 V727 H728	I514-P582 HydrophobicContact CD1-CG 4.25Å; L576-P582 HydrophobicContact CB-CG 4.28Å; L576-P582 HydrophobicContact CD2-CB 4.41Å; L576-P582 HydrophobicContact CD2-CG 4.34Å; F579-P582 HydrophobicContact CB-CB 3.74Å; F579-P582 HydrophobicContact CB-CG 4Å; F579-P582 HydrophobicContact CG-CB 4.41Å; P582-V584 HydrophobicContact CB-CG2 4.08Å; P582-K660 PolarHBondContact O-NZ 3.49Å; P582-V727 HydrophobicContact CB-CG1 3.72Å; P582-H728 CarbonylContact C-O 3.49Å; P582-H728 VanDerWaalsContact CA-O 3.3Å; P582-H728 WeakPolarHBondContact CA-O 3.2Å
583	C	96.6	Very high	94.9	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.027	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	137.7	152.4	-64.2	0	0	0	0	108.3	Y581 K660 E662 F686 V727 H728	Y581-C583 PolarHBondContact O-N 3.49Å; C583-K660 CarbonylContact C-O 3.04Å; C583-K660 VanDerWaalsContact CA-O 3.28Å; C583-K660 WeakPolarHBondContact CA-O 3.43Å; C583-E662 PolarHBondContact SG-N 2.99Å; C583-F686 HydrophobicContact CB-CD2 4.45Å; C583-F686 HydrophobicContact CB-CE2 3.76Å; C583-F686 HydrophobicContact CB-CZ 4.39Å; C583-V727 WeakPolarHBondContact O-CA 3.29Å; C583-H728 WeakPolarHBondContact CB-CE1 3.44Å; C583-H728 WeakPolarHBondContact CB-NE2 3.48Å; C583-H728 PolarHBondContact N-O 2.72Å; C583-H728 PolarHBondContact O-N 3.17Å; C583-H728 PolarHBondContact SG-CE1 3.17Å
584	V	97.4	Very high	94.7	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.018	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.3	-177	-169.2	0	0	0	0	109.4	I514 L516 L576 P582 V659 K660 F686 L725 F726 V727	I514-V584 HydrophobicContact CG2-CG2 4.3Å; L516-V584 HydrophobicContact CD1-CB 3.94Å; L516-V584 HydrophobicContact CD1-CG1 3.6Å; L516-V584 HydrophobicContact CG-CG1 4.4Å; L576-V584 HydrophobicContact CD1-CG2 4.48Å; L576-V584 HydrophobicContact CD2-CG2 3.86Å; P582-V584 HydrophobicContact CB-CG2 4.08Å; V584-V659 CarbonylContact O-C 3.45Å; V584-V659 WeakPolarHBondContact O-CA 3.24Å; V584-K660 PolarHBondContact N-O 2.89Å; V584-K660 PolarHBondContact O-N 3.11Å; V584-F686 VanDerWaalsContact C-CE2 3.5Å; V584-L725 HydrophobicContact CG1-CD1 3.58Å; V584-L725 HydrophobicContact CG1-CD2 4.42Å; V584-L725 HydrophobicContact CG1-CG 4.01Å; V584-F726 CarbonylContact C-O 3.44Å; V584-F726 VanDerWaalsContact CA-O 3.3Å; V584-F726 WeakPolarHBondContact CA-O 3.19Å; V584-V727 HydrophobicContact CG1-CG2 4.35Å; V584-V727 HydrophobicContact CG2-CG1 4.47Å
585	M	98.3	Very high	94.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.7	169.9	175.4	-174.9	-78	0	0	109.9	I656 G658 V659 F683 F686 F726	M585-I656 HydrophobicContact CE-CD1 3.97Å; M585-I656 HydrophobicContact CE-CG2 4.36Å; M585-I656 HydrophobicContact CG-CG2 4.04Å; M585-I656 HydrophobicContact SD-CD1 4.12Å; M585-I656 HydrophobicContact SD-CG1 4.1Å; M585-I656 HydrophobicContact SD-CG2 4.29Å; M585-G658 WeakPolarHBondContact CA-O 3.36Å; M585-V659 HydrophobicContact CB-CG2 4.11Å; M585-V659 HydrophobicContact CE-CG2 3.39Å; M585-V659 HydrophobicContact CG-CG2 3.86Å; M585-V659 HydrophobicContact SD-CG2 4.42Å; M585-F683 HydrophobicContact CE-CD1 4.03Å; M585-F683 HydrophobicContact CE-CE1 4.22Å; M585-F683 HydrophobicContact SD-CD1 3.66Å; M585-F683 HydrophobicContact SD-CE1 3.26Å; M585-F683 WeakPolarHBondContact SD-CE1 3.47Å; M585-F683 HydrophobicContact SD-CZ 4.08Å; M585-F686 HydrophobicContact CB-CD1 4.1Å; M585-F686 HydrophobicContact CB-CD2 4.17Å; M585-F686 HydrophobicContact CB-CE1 3.7Å; M585-F686 HydrophobicContact CB-CE2 3.79Å; M585-F686 HydrophobicContact CB-CG 4.31Å; M585-F686 HydrophobicContact CB-CZ 3.54Å; M585-F686 HydrophobicContact CE-CB 3.55Å; M585-F686 HydrophobicContact CE-CD1 3.85Å; M585-F686 HydrophobicContact CE-CD2 4.32Å; M585-F686 HydrophobicContact CE-CG 3.66Å; M585-F686 HydrophobicContact SD-CD1 4.19Å; M585-F726 HydrophobicContact CB-CB 4.23Å; M585-F726 PolarHBondContact N-O 3.07Å; M585-F726 PolarHBondContact O-N 2.92Å
586	D	98.2	Very high	94.6	Very high	8 Å²	8	22.8 Å²	22.8	4%	0.043	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	112.3	178.4	-173.3	-37.3	0	0	0	108.9	L516 A517 E657 G658 S723 L725	L516-D586 HydrophobicContact CB-CB 4Å; L516-D586 HydrophobicContact CD1-CB 3.87Å; A517-D586 VanDerWaalsContact CB-OD2 3.26Å; A517-D586 WeakPolarHBondContact CB-OD2 3.43Å; D586-E657 PolarHBondContact O-N 2.8Å; D586-G658 PolarHBondContact N-O 3.4Å; D586-S723 WeakPolarHBondContact OD1-CB 3.36Å; D586-S723 PolarHBondContact OD1-OG 2.9Å; D586-L725 HydrophobicContact CB-CD1 4.38Å
587	C	98.3	Very high	94.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	109	177.1	-70.3	0	0	0	0	110	R655 S723 L724 F726	C587-R655 CarbonylContact C-O 3.54Å; C587-R655 VanDerWaalsContact CA-O 3.3Å; C587-R655 WeakPolarHBondContact CA-O 3.47Å; C587-S723 CarbonylContact O-C 3.59Å; C587-S723 WeakPolarHBondContact O-CA 3.32Å; C587-S723 VanDerWaalsContact O-CB 3.27Å; C587-S723 WeakPolarHBondContact O-CB 3.36Å; C587-L724 PolarHBondContact N-O 3.37Å; C587-L724 PolarHBondContact O-N 3.25Å; C587-F726 HydrophobicContact CB-CD2 4.41Å; C587-F726 HydrophobicContact CB-CE2 3.94Å
588	K	98.2	Very high	94.3	Very high	20 Å²	20	26 Å²	26	9%	0.087	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.5	175.5	-172.4	141.2	-52.6	-48.3	0	110.5	T593 F654 R655 E657 G721 S722 S723	K588-T593 HydrophobicContact CD-CG2 4.11Å; K588-T593 HydrophobicContact CG-CG2 3.98Å; K588-F654 CarbonylContact O-C 3.5Å; K588-F654 WeakPolarHBondContact O-CA 3.23Å; K588-F654 WeakPolarHBondContact O-CB 3.48Å; K588-R655 HydrophobicContact CB-CG 4.25Å; K588-R655 PolarHBondContact N-O 3.33Å; K588-R655 PolarHBondContact O-N 2.75Å; K588-E657 HydrophobicContact CB-CG 3.73Å; K588-E657 HydrophobicContact CD-CG 4.44Å; K588-G721 PolarHBondContact NZ-O 2.69Å; K588-S722 PolarHBondContact NZ-O 3.49Å; K588-S723 WeakPolarHBondContact CA-OG 3.14Å; K588-S723 PolarHBondContact NZ-OG 3.31Å
589	M	98.6	Very high	94.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	161.4	-171.5	-59.7	-55.1	-62.4	0	0	113.1	F654 S722 L724 Y768 L772 L775	M589-F654 HydrophobicContact CE-CB 4Å; M589-F654 HydrophobicContact SD-CB 3.64Å; M589-S722 PolarHBondContact N-O 3.27Å; M589-L724 HydrophobicContact CE-CD1 4.05Å; M589-L724 HydrophobicContact CG-CB 4.47Å; M589-L724 HydrophobicContact CG-CD1 4.25Å; M589-L724 HydrophobicContact CG-CG 3.9Å; M589-L724 HydrophobicContact SD-CB 4.37Å; M589-L724 HydrophobicContact SD-CD1 3.75Å; M589-L724 HydrophobicContact SD-CG 3.97Å; M589-Y768 HydrophobicContact CB-CD2 3.53Å; M589-Y768 HydrophobicContact CB-CE2 3.29Å; M589-Y768 HydrophobicContact CB-CG 4.27Å; M589-Y768 HydrophobicContact CG-CD2 4.37Å; M589-Y768 HydrophobicContact CG-CE2 3.71Å; M589-L772 HydrophobicContact CE-CB 4.33Å; M589-L775 HydrophobicContact CE-CD1 3.78Å; M589-L775 HydrophobicContact SD-CD1 3.8Å
590	G	97.8	Very high	93.9	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	12%	0.117	C	C	.	.	S	Bend	trans	91.2	152.8	-178.8	0	0	0	0	0	112.7	R592 T649 G653 D766	G590-R592 PolarHBondContact O-N 2.82Å; G590-T649 VanDerWaalsContact O-CG2 3.29Å; G590-T649 WeakPolarHBondContact O-CG2 3.48Å; G590-G653 CarbonylContact C-O 3.3Å; G590-G653 VanDerWaalsContact C-O 3.26Å; G590-G653 WeakPolarHBondContact CA-O 3.35Å; G590-G653 PolarHBondContact N-O 2.67Å; G590-G653 CarbonylContact O-C 3.56Å; G590-D766 CarbonylContact C-O 3.51Å; G590-D766 WeakPolarHBondContact CA-O 3.45Å
591	V	96.3	Very high	93.8	Very high	35 Å²	35	28.9 Å²	28.9	21%	0.212	13%	0.134	C	C	.	.	S	Bend	trans	-73.5	-12.1	176.1	-63.1	0	0	0	0	113.1	T649 W759 D766 Y770	V591-T649 VanDerWaalsContact O-CG2 3.29Å; V591-T649 WeakPolarHBondContact O-CG2 3.43Å; V591-W759 HydrophobicContact CG2-CB 4.16Å; V591-D766 PolarHBondContact N-O 3.44Å; V591-Y770 HydrophobicContact CG1-CD1 3.69Å; V591-Y770 HydrophobicContact CG1-CE1 4.1Å
592	R	94.1	Very high	93.6	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	11%	0.109	C	C	.	.			trans	-140	150	177.7	66.1	-175.5	177.8	88.2	0	110.7	G590 Y594 E718 I720 W759 R764 E765	G590-R592 PolarHBondContact O-N 2.82Å; R592-Y594 HydrophobicContact CB-CE1 4.42Å; R592-Y594 PolarHBondContact NH1-O 2.86Å; R592-E718 IonicContact CZ-OE1 3.22Å; R592-E718 VanDerWaalsContact CZ-OE1 3.23Å; R592-E718 IonicContact NH1-OE1 2.82Å; R592-E718 PolarHBondContact NH1-OE1 3.11Å; R592-E718 VanDerWaalsContact NH2-CD 3.31Å; R592-E718 IonicContact NH2-OE1 2.72Å; R592-E718 PolarHBondContact NH2-OE1 2.56Å; R592-I720 HydrophobicContact CG-CD1 3.66Å; R592-I720 WeakPolarHBondContact O-CD1 3.5Å; R592-W759 VanDerWaalsContact NE-CD1 3.28Å; R592-R764 VanDerWaalsContact NH2-C 3.27Å; R592-R764 PolarHBondContact NH2-O 3.21Å; R592-E765 PolarHBondContact NE-O 3.45Å; R592-E765 PolarHBondContact NH2-O 2.91Å
593	T	92.9	Very high	93.1	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.025	14%	0.138	C	C	.	.	S	Bend	trans	-124.7	17.3	-174.2	63.1	0	0	0	0	114.2	K588 M640 E644 R655 K743	K588-T593 HydrophobicContact CD-CG2 4.11Å; K588-T593 HydrophobicContact CG-CG2 3.98Å; T593-M640 WeakPolarHBondContact OG1-CE 3.4Å; T593-E644 WeakPolarHBondContact CA-OE1 3.14Å; T593-E644 WeakPolarHBondContact CB-OE1 3.47Å; T593-E644 PolarHBondContact N-OE1 2.91Å; T593-E644 PolarHBondContact OG1-OE1 2.81Å; T593-R655 PolarHBondContact OG1-NH2 2.9Å; T593-K743 PolarHBondContact O-NZ 2.91Å
594	Y	91.8	Very high	92.8	Very high	5 Å²	5	39.2 Å²	39.2	2%	0.02	18%	0.176	C	C	.	.	S	Bend	trans	-125.3	152.2	168.1	55.5	-90.4	0	0	0	110.8	R592 L599 M640 Q641 E644 W759	R592-Y594 HydrophobicContact CB-CE1 4.42Å; R592-Y594 PolarHBondContact NH1-O 2.86Å; Y594-L599 HydrophobicContact CD2-CD1 4.24Å; Y594-L599 HydrophobicContact CD2-CD2 4.46Å; Y594-L599 HydrophobicContact CD2-CG 3.88Å; Y594-L599 HydrophobicContact CE2-CD1 3.53Å; Y594-L599 HydrophobicContact CE2-CD2 4.03Å; Y594-L599 HydrophobicContact CE2-CG 3.59Å; Y594-M640 HydrophobicContact CD1-CB 3.59Å; Y594-M640 HydrophobicContact CD1-CG 4.28Å; Y594-M640 HydrophobicContact CE1-CB 4.27Å; Y594-Q641 HydrophobicContact CE1-CG 3.53Å; Y594-Q641 WeakPolarHBondContact OH-CG 3.16Å; Y594-Q641 PolarHBondContact OH-NE2 3.11Å; Y594-Q641 VanDerWaalsContact OH-NE2 3.11Å; Y594-E644 WeakPolarHBondContact CE1-OE2 3.38Å; Y594-W759 HydrophobicContact CE2-CH2 4.31Å
595	L	93.4	Very high	92.4	Very high	20 Å²	20	47.1 Å²	47.1	11%	0.105	21%	0.21	C	C	.	.			trans	-79	153.7	173.2	-64	166.9	0	0	0	110.3	E597 E598 E718 I720 K743 T745	L595-E597 VanDerWaalsContact C-N 3.27Å; L595-E597 WeakPolarHBondContact CB-OE2 3.14Å; L595-E597 PolarHBondContact O-N 3.25Å; L595-E598 HydrophobicContact CB-CG 4.17Å; L595-E598 WeakPolarHBondContact O-CA 3.31Å; L595-E598 WeakPolarHBondContact O-CB 3.46Å; L595-E598 PolarHBondContact O-N 3.08Å; L595-E718 VanDerWaalsContact CD2-CD 3.41Å; L595-E718 HydrophobicContact CD2-CG 3.85Å; L595-E718 VanDerWaalsContact CD2-OE1 3.24Å; L595-E718 WeakPolarHBondContact CD2-OE1 3.45Å; L595-I720 HydrophobicContact CD2-CB 3.89Å; L595-I720 HydrophobicContact CD2-CG1 4.08Å; L595-I720 HydrophobicContact CD2-CG2 4.23Å; L595-I720 HydrophobicContact CG-CG2 4.42Å; L595-K743 HydrophobicContact CD1-CB 4.18Å; L595-K743 WeakPolarHBondContact CD2-O 3.3Å; L595-K743 HydrophobicContact CG-CB 4.27Å; L595-K743 HydrophobicContact CG-CD 4.43Å; L595-T745 HydrophobicContact CD1-CG2 4.09Å; L595-T745 HydrophobicContact CD2-CG2 4.38Å
596	E	91.4	Very high	91.8	Very high	18 Å²	18	51.1 Å²	51.1	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-36.4	176.3	-64.7	-162.3	161	0	0	112.3	E598 L599 T600 W759 G762 R764	E596-E598 PolarHBondContact O-N 3.05Å; E596-E598 VanDerWaalsContact O-N 3.17Å; E596-L599 WeakPolarHBondContact O-CA 3.46Å; E596-L599 WeakPolarHBondContact O-CB 3.11Å; E596-L599 PolarHBondContact O-N 2.92Å; E596-T600 PolarHBondContact O-N 3.07Å; E596-T600 PolarHBondContact O-OG1 2.67Å; E596-W759 PolarHBondContact OE1-NE1 2.65Å; E596-G762 VanDerWaalsContact CD-N 3.3Å; E596-G762 PolarHBondContact OE1-N 3.14Å; E596-G762 VanDerWaalsContact OE2-CA 3.32Å; E596-G762 WeakPolarHBondContact OE2-CA 3.27Å; E596-G762 PolarHBondContact OE2-N 2.85Å; E596-R764 PolarHBondContact OE1-N 3.47Å; E596-R764 VanDerWaalsContact OE1-N 3.11Å
597	E	89.1	Confident	91.4	Very high	63 Å²	63	53.7 Å²	53.7	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-69.9	-15.3	177	-42	88	163.4	0	0	112.1	L595 K601 R764	L595-E597 VanDerWaalsContact C-N 3.27Å; L595-E597 WeakPolarHBondContact CB-OE2 3.14Å; L595-E597 PolarHBondContact O-N 3.25Å; E597-K601 VanDerWaalsContact O-CB 3.23Å; E597-K601 WeakPolarHBondContact O-CB 3.42Å; E597-K601 WeakPolarHBondContact O-CD 3.08Å; E597-K601 WeakPolarHBondContact O-CE 3.22Å; E597-K601 WeakPolarHBondContact O-CG 3.08Å; E597-K601 PolarHBondContact O-N 3.4Å; E597-R764 IonicContact OE1-CZ 2.78Å; E597-R764 IonicContact OE1-NH1 2.91Å; E597-R764 IonicContact OE1-NH2 3.14Å; E597-R764 PolarHBondContact OE1-NH2 3.14Å
598	E	88.9	Confident	91	Very high	44 Å²	44	57.3 Å²	57.3	21%	0.206	28%	0.282	C	S	.	.	H	α-helix	trans	-72.4	-34.5	168	-60.8	-163	110.9	0	0	111.7	L595 E596 A602 K636 K743	L595-E598 HydrophobicContact CB-CG 4.17Å; L595-E598 WeakPolarHBondContact O-CA 3.31Å; L595-E598 WeakPolarHBondContact O-CB 3.46Å; L595-E598 PolarHBondContact O-N 3.08Å; E596-E598 PolarHBondContact O-N 3.05Å; E596-E598 VanDerWaalsContact O-N 3.17Å; E598-A602 VanDerWaalsContact O-CB 3.3Å; E598-A602 WeakPolarHBondContact O-CB 3.49Å; E598-A602 PolarHBondContact O-N 3.05Å; E598-A602 VanDerWaalsContact O-N 3.1Å; E598-K636 WeakPolarHBondContact OE1-CE 3.06Å; E598-K636 IonicContact OE1-NZ 3.49Å; E598-K636 PolarHBondContact OE1-NZ 2.88Å; E598-K636 IonicContact OE2-NZ 2.75Å; E598-K636 PolarHBondContact OE2-NZ 3.37Å; E598-K743 IonicContact OE2-NZ 2.71Å; E598-K743 PolarHBondContact OE2-NZ 3.47Å
599	L	87.6	Confident	90.8	Very high	12 Å²	12	60.3 Å²	60.3	6%	0.063	29%	0.292	C	S	.	.	H	α-helix	trans	-65.5	-52.5	169	-75.8	173.5	0	0	0	110.8	Y594 E596 K601 A602 R603 P637 W759	Y594-L599 HydrophobicContact CD2-CD1 4.24Å; Y594-L599 HydrophobicContact CD2-CD2 4.46Å; Y594-L599 HydrophobicContact CD2-CG 3.88Å; Y594-L599 HydrophobicContact CE2-CD1 3.53Å; Y594-L599 HydrophobicContact CE2-CD2 4.03Å; Y594-L599 HydrophobicContact CE2-CG 3.59Å; E596-L599 WeakPolarHBondContact O-CA 3.46Å; E596-L599 WeakPolarHBondContact O-CB 3.11Å; E596-L599 PolarHBondContact O-N 2.92Å; L599-K601 VanDerWaalsContact C-N 3.29Å; L599-K601 PolarHBondContact O-N 2.79Å; L599-A602 PolarHBondContact O-N 3.37Å; L599-A602 VanDerWaalsContact O-N 3.07Å; L599-R603 PolarHBondContact O-N 3.2Å; L599-P637 HydrophobicContact CD2-CB 3.59Å; L599-P637 HydrophobicContact CD2-CG 4.25Å; L599-P637 HydrophobicContact CG-CB 4.49Å; L599-W759 HydrophobicContact CD1-CH2 3.75Å; L599-W759 HydrophobicContact CD1-CZ2 3.85Å
600	T	87.5	Confident	90.7	Very high	53 Å²	53	64.3 Å²	64.3	33%	0.325	32%	0.319	S	S	.	.	H	α-helix	trans	-59.5	-40.7	-177.2	-40	0	0	0	0	111.5	E596 R604	E596-T600 PolarHBondContact O-N 3.07Å; E596-T600 PolarHBondContact O-OG1 2.67Å; T600-R604 WeakPolarHBondContact O-CB 3.3Å; T600-R604 WeakPolarHBondContact O-CG 3.26Å; T600-R604 PolarHBondContact O-N 2.74Å; T600-R604 VanDerWaalsContact O-N 3.07Å
601	K	88.1	Confident	90.5	Very high	135 Å²	135	67.5 Å²	67.5	59%	0.587	34%	0.335	S	S	*	.	H	α-helix	trans	-65.4	-42.6	175.2	-72	161.1	-159.7	151.4	0	111.5	E597 L599 R604 K605	E597-K601 VanDerWaalsContact O-CB 3.23Å; E597-K601 WeakPolarHBondContact O-CB 3.42Å; E597-K601 WeakPolarHBondContact O-CD 3.08Å; E597-K601 WeakPolarHBondContact O-CE 3.22Å; E597-K601 WeakPolarHBondContact O-CG 3.08Å; E597-K601 PolarHBondContact O-N 3.4Å; L599-K601 VanDerWaalsContact C-N 3.29Å; L599-K601 PolarHBondContact O-N 2.79Å; K601-R604 PolarHBondContact O-N 3.37Å; K601-K605 PolarHBondContact O-N 3.25Å
602	A	86.1	Confident	90.5	Very high	21 Å²	21	66.6 Å²	66.6	17%	0.174	33%	0.329	C	S	.	.	H	α-helix	trans	-66.9	-36.4	178.1	0	0	0	0	0	113.2	E598 L599 K605 P606 P637	E598-A602 VanDerWaalsContact O-CB 3.3Å; E598-A602 WeakPolarHBondContact O-CB 3.49Å; E598-A602 PolarHBondContact O-N 3.05Å; E598-A602 VanDerWaalsContact O-N 3.1Å; L599-A602 PolarHBondContact O-N 3.37Å; L599-A602 VanDerWaalsContact O-N 3.07Å; A602-K605 CarbonylContact O-C 3.57Å; A602-K605 VanDerWaalsContact O-C 3.3Å; A602-P606 VanDerWaalsContact O-CA 3.31Å; A602-P606 WeakPolarHBondContact O-CA 3.34Å; A602-P606 WeakPolarHBondContact O-CD 3.34Å; A602-P606 WeakPolarHBondContact O-CG 3.31Å; A602-P637 HydrophobicContact CB-CG 3.63Å
603	R	85.4	Confident	90.6	Very high	165 Å²	165	67.7 Å²	67.7	62%	0.623	33%	0.333	S	S	*	.	H	α-helix	trans	-65.6	-43.3	172.7	-72.8	-175.6	179.7	161.2	9.4	112.1	L599 E761	L599-R603 PolarHBondContact O-N 3.2Å; R603-E761 IonicContact CZ-OE1 3.11Å; R603-E761 IonicContact CZ-OE2 3.17Å; R603-E761 IonicContact NH1-OE1 2.74Å; R603-E761 PolarHBondContact NH1-OE1 3.4Å; R603-E761 IonicContact NH1-OE2 2.67Å; R603-E761 PolarHBondContact NH1-OE2 3.36Å; R603-E761 IonicContact NH2-OE1 2.69Å; R603-E761 IonicContact NH2-OE2 3.32Å; R603-E761 PolarHBondContact NH2-OE2 3.28Å
604	R	88.9	Confident	90.7	Very high	215 Å²	215	71.8 Å²	71.8	81%	0.811	35%	0.352	S	S	*	.	H	α-helix	trans	-71.2	-33.2	178.5	-71.1	178.7	-175.8	-174.5	3.8	113.6	T600 K601	T600-R604 WeakPolarHBondContact O-CB 3.3Å; T600-R604 WeakPolarHBondContact O-CG 3.26Å; T600-R604 PolarHBondContact O-N 2.74Å; T600-R604 VanDerWaalsContact O-N 3.07Å; K601-R604 PolarHBondContact O-N 3.37Å
605	K	89.1	Confident	90.8	Very high	170 Å²	170	75.5 Å²	75.5	74%	0.739	37%	0.368	S	S	*	.	S	Bend	trans	-149.2	92	177.1	-172.8	172.7	-178.2	173.9	0	110.3	K601 A602 A607	K601-K605 PolarHBondContact O-N 3.25Å; A602-K605 CarbonylContact O-C 3.57Å; A602-K605 VanDerWaalsContact O-C 3.3Å; K605-A607 PolarHBondContact O-N 3.03Å
606	P	86.8	Confident	90.9	Very high	84 Å²	84	74.6 Å²	74.6	55%	0.545	36%	0.363	S	S	.	.			trans	-56.9	130.7	174.4	-26.2	34.9	0	0	0	111	A602 T635	A602-P606 VanDerWaalsContact O-CA 3.31Å; A602-P606 WeakPolarHBondContact O-CA 3.34Å; A602-P606 WeakPolarHBondContact O-CD 3.34Å; A602-P606 WeakPolarHBondContact O-CG 3.31Å; P606-T635 HydrophobicContact CB-CG2 4.37Å
607	A	88.8	Confident	91.1	Very high	62 Å²	62	75.9 Å²	75.9	51%	0.512	37%	0.371	S	S	.	.			trans	-124.7	87.3	175.8	0	0	0	0	0	109	K605	K605-A607 PolarHBondContact O-N 3.03Å
608	P	90.6	Very high	91.4	Very high	75 Å²	75	79 Å²	79	49%	0.487	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	146.8	177.4	-21.3	34	0	0	0	111.9	A633 V634	P608-A633 HydrophobicContact CB-CB 3.55Å; P608-V634 CarbonylContact C-O 3.26Å; P608-V634 WeakPolarHBondContact CA-O 3.41Å
609	R	94.8	Very high	91.6	Very high	83 Å²	83	78.1 Å²	78.1	31%	0.313	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	101.8	-168.1	-72.6	-95.7	-76.9	-78.4	-6.4	110.4	D611 M612 Y613 V634	R609-D611 WeakPolarHBondContact CD-OD1 3.2Å; R609-D611 IonicContact CZ-OD1 3.21Å; R609-D611 IonicContact NE-OD1 2.74Å; R609-D611 PolarHBondContact NE-OD1 3.21Å; R609-D611 PolarHBondContact O-N 3.07Å; R609-M612 HydrophobicContact CB-CB 3.99Å; R609-M612 HydrophobicContact CB-CG 4.05Å; R609-M612 HydrophobicContact CB-SD 4.24Å; R609-M612 HydrophobicContact CG-SD 4.5Å; R609-M612 PolarHBondContact NH2-SD 3.22Å; R609-M612 PolarHBondContact O-N 3.41Å; R609-M612 VanDerWaalsContact O-N 3.08Å; R609-Y613 PolarHBondContact O-N 3.07Å; R609-Y613 VanDerWaalsContact O-N 3.12Å; R609-V634 WeakPolarHBondContact CB-O 3.46Å; R609-V634 PolarHBondContact N-O 3.28Å
610	P	95.6	Very high	91.8	Very high	85 Å²	85	79.8 Å²	79.8	55%	0.552	39%	0.392	S	S	*	.	H	α-helix	trans	-59.1	-34	176.4	-25.3	34.7	0	0	0	112.9	M612 Y613 Q614 K632 A633	P610-M612 PolarHBondContact O-N 3.45Å; P610-Y613 PolarHBondContact O-N 3.15Å; P610-Q614 WeakPolarHBondContact O-CB 3.44Å; P610-Q614 PolarHBondContact O-N 3.21Å; P610-K632 WeakPolarHBondContact CA-O 3.44Å; P610-A633 HydrophobicContact CG-CB 4.15Å
611	D	94.3	Very high	92.2	Very high	68 Å²	68	81.7 Å²	81.7	36%	0.364	41%	0.405	S	S	.	.	H	α-helix	trans	-62.5	-25.6	177.1	90.1	-83.5	0	0	0	113.5	R609 K615	R609-D611 WeakPolarHBondContact CD-OD1 3.2Å; R609-D611 IonicContact CZ-OD1 3.21Å; R609-D611 IonicContact NE-OD1 2.74Å; R609-D611 PolarHBondContact NE-OD1 3.21Å; R609-D611 PolarHBondContact O-N 3.07Å; D611-K615 WeakPolarHBondContact O-CD 3.45Å; D611-K615 WeakPolarHBondContact O-CE 3.48Å; D611-K615 VanDerWaalsContact O-CG 3.22Å; D611-K615 WeakPolarHBondContact O-CG 3.38Å; D611-K615 PolarHBondContact O-NZ 3.08Å; D611-K615 IonicContact OD2-NZ 3.62Å; D611-K615 PolarHBondContact OD2-NZ 3.11Å
612	M	94.9	Very high	92.5	Very high	16 Å²	16	84 Å²	84	8%	0.079	42%	0.418	C	S	.	.	H	α-helix	trans	-93.1	-32	178.6	-69.5	-172.4	136.7	0	0	111.7	R609 P610 M616 V634 K636 Y639 M640	R609-M612 HydrophobicContact CB-CB 3.99Å; R609-M612 HydrophobicContact CB-CG 4.05Å; R609-M612 HydrophobicContact CB-SD 4.24Å; R609-M612 HydrophobicContact CG-SD 4.5Å; R609-M612 PolarHBondContact NH2-SD 3.22Å; R609-M612 PolarHBondContact O-N 3.41Å; R609-M612 VanDerWaalsContact O-N 3.08Å; P610-M612 PolarHBondContact O-N 3.45Å; M612-M616 PolarHBondContact O-N 3.38Å; M612-V634 HydrophobicContact CB-CG2 3.59Å; M612-K636 HydrophobicContact CE-CG 4.23Å; M612-K636 HydrophobicContact SD-CB 4.1Å; M612-K636 HydrophobicContact SD-CG 4.22Å; M612-Y639 HydrophobicContact CB-CD1 4.33Å; M612-Y639 HydrophobicContact CB-CD2 3.76Å; M612-Y639 HydrophobicContact CB-CE2 4.22Å; M612-Y639 HydrophobicContact CB-CG 3.8Å; M612-Y639 HydrophobicContact CE-CD1 3.52Å; M612-Y639 HydrophobicContact CE-CE1 3.85Å; M612-Y639 HydrophobicContact CE-CG 4.28Å; M612-Y639 HydrophobicContact CG-CD1 4.16Å; M612-Y639 HydrophobicContact CG-CD2 4.42Å; M612-Y639 HydrophobicContact CG-CE1 4.44Å; M612-Y639 HydrophobicContact CG-CG 4.13Å; M612-Y639 WeakPolarHBondContact O-CD2 3.46Å; M612-Y639 WeakPolarHBondContact O-CE2 3.34Å; M612-Y639 HydrophobicContact SD-CD1 3.97Å; M612-Y639 HydrophobicContact SD-CG 4.12Å; M612-M640 HydrophobicContact CE-SD 4.37Å
613	Y	96.4	Very high	92.9	Very high	24 Å²	24	83.9 Å²	83.9	9%	0.094	42%	0.417	C	S	.	.	H	α-helix	trans	-63.4	-47.6	171.4	168	-94.2	0	0	0	111.1	R609 P610 K615 M616 I617 P624 E628 N629 K632 V634	R609-Y613 PolarHBondContact O-N 3.07Å; R609-Y613 VanDerWaalsContact O-N 3.12Å; P610-Y613 PolarHBondContact O-N 3.15Å; Y613-K615 VanDerWaalsContact C-N 3.32Å; Y613-K615 PolarHBondContact O-N 3.17Å; Y613-M616 WeakPolarHBondContact O-CA 3.3Å; Y613-M616 VanDerWaalsContact O-CB 3.29Å; Y613-M616 WeakPolarHBondContact O-CB 3.29Å; Y613-M616 PolarHBondContact O-N 3.46Å; Y613-I617 HydrophobicContact CD1-CD1 4.44Å; Y613-I617 HydrophobicContact CE1-CD1 3.76Å; Y613-I617 HydrophobicContact CE1-CG1 4.45Å; Y613-I617 HydrophobicContact CE1-CG2 4.4Å; Y613-I617 HydrophobicContact CE2-CG2 4.03Å; Y613-I617 PolarHBondContact O-N 2.96Å; Y613-P624 HydrophobicContact CD2-CB 4.24Å; Y613-P624 HydrophobicContact CD2-CG 4.27Å; Y613-P624 HydrophobicContact CE2-CB 3.97Å; Y613-P624 HydrophobicContact CE2-CG 3.92Å; Y613-E628 WeakPolarHBondContact CD2-O 3.45Å; Y613-E628 WeakPolarHBondContact CE2-O 3.45Å; Y613-N629 WeakPolarHBondContact CE2-OD1 3.41Å; Y613-N629 PolarHBondContact OH-OD1 2.91Å; Y613-N629 VanDerWaalsContact OH-OD1 3.07Å; Y613-K632 WeakPolarHBondContact CB-O 3.29Å; Y613-K632 VanDerWaalsContact CD1-C 3.45Å; Y613-K632 HydrophobicContact CD1-CB 3.97Å; Y613-K632 WeakPolarHBondContact CD1-O 3.44Å; Y613-K632 HydrophobicContact CE1-CB 3.81Å; Y613-K632 HydrophobicContact CE1-CG 4.07Å; Y613-V634 HydrophobicContact CD2-CG1 4.15Å
614	Q	96.3	Very high	93.4	Very high	89 Å²	89	76.5 Å²	76.5	42%	0.416	39%	0.39	S	S	.	.	H	α-helix	trans	-56.4	-45.6	177.7	-177.6	56.8	40.6	0	0	111.6	P610 M616 I617 E618	P610-Q614 WeakPolarHBondContact O-CB 3.44Å; P610-Q614 PolarHBondContact O-N 3.21Å; Q614-M616 PolarHBondContact O-N 2.62Å; Q614-I617 VanDerWaalsContact O-CG1 3.3Å; Q614-I617 WeakPolarHBondContact O-CG1 3.49Å; Q614-I617 PolarHBondContact O-N 3.49Å; Q614-E618 VanDerWaalsContact CG-OE1 3.31Å; Q614-E618 WeakPolarHBondContact CG-OE1 3.39Å; Q614-E618 PolarHBondContact NE2-OE1 2.78Å; Q614-E618 WeakPolarHBondContact O-CB 3.38Å; Q614-E618 WeakPolarHBondContact O-CG 3.5Å; Q614-E618 PolarHBondContact O-N 3.21Å
615	K	93.8	Very high	93.8	Very high	84 Å²	84	69.7 Å²	69.7	37%	0.365	37%	0.373	S	S	.	.	H	α-helix	trans	-71.7	-12	175.6	-64.9	165.8	-162.3	155.2	0	114.5	D611 Y613 Y639	D611-K615 WeakPolarHBondContact O-CD 3.45Å; D611-K615 WeakPolarHBondContact O-CE 3.48Å; D611-K615 VanDerWaalsContact O-CG 3.22Å; D611-K615 WeakPolarHBondContact O-CG 3.38Å; D611-K615 PolarHBondContact O-NZ 3.08Å; D611-K615 IonicContact OD2-NZ 3.62Å; D611-K615 PolarHBondContact OD2-NZ 3.11Å; Y613-K615 VanDerWaalsContact C-N 3.32Å; Y613-K615 PolarHBondContact O-N 3.17Å; K615-Y639 HydrophobicContact CB-CE2 3.86Å; K615-Y639 WeakPolarHBondContact CB-OH 3.35Å
616	M	95.3	Very high	94.1	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-81.2	-56.9	172	-173.8	177	-76.5	0	0	108.8	M612 Y613 Q614 E618 V619 D620 A623 P624 V634 Y639 W642	M612-M616 PolarHBondContact O-N 3.38Å; Y613-M616 WeakPolarHBondContact O-CA 3.3Å; Y613-M616 VanDerWaalsContact O-CB 3.29Å; Y613-M616 WeakPolarHBondContact O-CB 3.29Å; Y613-M616 PolarHBondContact O-N 3.46Å; Q614-M616 PolarHBondContact O-N 2.62Å; M616-E618 VanDerWaalsContact C-N 3.28Å; M616-E618 PolarHBondContact O-N 2.74Å; M616-V619 PolarHBondContact O-N 2.79Å; M616-D620 PolarHBondContact O-N 3.24Å; M616-A623 HydrophobicContact CG-CB 3.8Å; M616-A623 HydrophobicContact SD-CB 3.99Å; M616-P624 HydrophobicContact CG-CG 4.19Å; M616-P624 HydrophobicContact SD-CB 4.07Å; M616-P624 HydrophobicContact SD-CG 3.83Å; M616-V634 HydrophobicContact CE-CB 4.5Å; M616-V634 HydrophobicContact CE-CG1 4.05Å; M616-V634 HydrophobicContact CE-CG2 4.39Å; M616-V634 HydrophobicContact SD-CG1 4.02Å; M616-Y639 HydrophobicContact CB-CD2 4.4Å; M616-Y639 HydrophobicContact CB-CE2 4.48Å; M616-Y639 HydrophobicContact CE-CD2 4.2Å; M616-W642 HydrophobicContact CB-CE3 4.49Å; M616-W642 HydrophobicContact CB-CH2 4.22Å; M616-W642 HydrophobicContact CB-CZ3 4.2Å; M616-W642 HydrophobicContact CE-CB 3.89Å; M616-W642 HydrophobicContact CE-CD2 3.79Å; M616-W642 HydrophobicContact CE-CE3 3.81Å; M616-W642 HydrophobicContact CE-CG 3.82Å; M616-W642 HydrophobicContact CG-CD2 3.95Å; M616-W642 HydrophobicContact CG-CE3 4.09Å; M616-W642 HydrophobicContact CG-CH2 4.07Å; M616-W642 HydrophobicContact CG-CZ2 3.89Å; M616-W642 HydrophobicContact CG-CZ3 4.16Å; M616-W642 HydrophobicContact SD-CD2 4.45Å
617	I	96.2	Very high	94.5	Very high	46 Å²	46	70.2 Å²	70.2	24%	0.236	38%	0.375	C	S	.	.	H	α-helix	trans	-64.6	-27.5	-179.9	63.4	170.9	0	0	0	114	Y613 Q614 V619 P624	Y613-I617 HydrophobicContact CD1-CD1 4.44Å; Y613-I617 HydrophobicContact CE1-CD1 3.76Å; Y613-I617 HydrophobicContact CE1-CG1 4.45Å; Y613-I617 HydrophobicContact CE1-CG2 4.4Å; Y613-I617 HydrophobicContact CE2-CG2 4.03Å; Y613-I617 PolarHBondContact O-N 2.96Å; Q614-I617 VanDerWaalsContact O-CG1 3.3Å; Q614-I617 WeakPolarHBondContact O-CG1 3.49Å; Q614-I617 PolarHBondContact O-N 3.49Å; I617-V619 PolarHBondContact O-N 3.14Å; I617-P624 HydrophobicContact CG2-CG 3.55Å
618	E	93.6	Very high	94.8	Very high	129 Å²	129	68.4 Å²	68.4	60%	0.603	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.4	171.8	-81.2	166.8	-174.6	0	0	113.9	Q614 M616	Q614-E618 VanDerWaalsContact CG-OE1 3.31Å; Q614-E618 WeakPolarHBondContact CG-OE1 3.39Å; Q614-E618 PolarHBondContact NE2-OE1 2.78Å; Q614-E618 WeakPolarHBondContact O-CB 3.38Å; Q614-E618 WeakPolarHBondContact O-CG 3.5Å; Q614-E618 PolarHBondContact O-N 3.21Å; M616-E618 VanDerWaalsContact C-N 3.28Å; M616-E618 PolarHBondContact O-N 2.74Å
619	V	93.3	Very high	95.1	Very high	25 Å²	25	67 Å²	67	15%	0.152	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-39.6	178.4	177.8	0	0	0	0	110.2	M616 I617 W642 I646 K671 K672	M616-V619 PolarHBondContact O-N 2.79Å; I617-V619 PolarHBondContact O-N 3.14Å; V619-W642 HydrophobicContact CB-CH2 3.77Å; V619-W642 HydrophobicContact CB-CZ2 3.94Å; V619-W642 HydrophobicContact CG1-CH2 4.07Å; V619-W642 HydrophobicContact CG1-CZ2 3.98Å; V619-W642 HydrophobicContact CG2-CH2 4.15Å; V619-I646 HydrophobicContact CG1-CD1 3.7Å; V619-K671 HydrophobicContact CG1-CB 4.27Å; V619-K671 HydrophobicContact CG2-CB 4.44Å; V619-K671 HydrophobicContact CG2-CG 4.32Å; V619-K672 HydrophobicContact CG1-CD 4.41Å; V619-K672 VanDerWaalsContact CG1-CE 3.44Å; V619-K672 HydrophobicContact CG1-CG 4.08Å; V619-K672 WeakPolarHBondContact O-CE 3.34Å; V619-K672 PolarHBondContact O-NZ 3.33Å
620	D	93.1	Very high	95.2	Very high	47 Å²	47	69.5 Å²	69.5	25%	0.251	36%	0.364	S	S	.	.			trans	-153.8	100.2	-174	-172.4	-10.6	0	0	0	110.3	M616 E622 A623 W642	M616-D620 PolarHBondContact O-N 3.24Å; D620-E622 PolarHBondContact O-N 2.6Å; D620-E622 PolarHBondContact OD1-N 2.87Å; D620-E622 VanDerWaalsContact OD1-N 3.11Å; D620-A623 HydrophobicContact CB-CB 3.84Å; D620-A623 WeakPolarHBondContact O-CB 3.29Å; D620-A623 PolarHBondContact O-N 3.48Å; D620-A623 PolarHBondContact OD1-N 2.95Å; D620-W642 HydrophobicContact CB-CZ2 4.09Å
621	P	94.8	Very high	95.2	Very high	93 Å²	93	71.4 Å²	71.4	60%	0.604	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.7	178.5	-24.2	34.9	0	0	0	114.8	P624	P621-P624 WeakPolarHBondContact O-CD 3.34Å
622	E	94.8	Very high	95.3	Very high	183 Å²	183	74.8 Å²	74.8	86%	0.855	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-10.1	-176.3	-61.8	-177	176.6	0	0	112.3	D620	D620-E622 PolarHBondContact O-N 2.6Å; D620-E622 PolarHBondContact OD1-N 2.87Å; D620-E622 VanDerWaalsContact OD1-N 3.11Å
623	A	94.8	Very high	95.3	Very high	19 Å²	19	74.5 Å²	74.5	16%	0.157	38%	0.375	C	S	.	.	S	Bend	trans	-65.8	-34.7	-179.5	0	0	0	0	0	116.9	M616 D620 R638	M616-A623 HydrophobicContact CG-CB 3.8Å; M616-A623 HydrophobicContact SD-CB 3.99Å; D620-A623 HydrophobicContact CB-CB 3.84Å; D620-A623 WeakPolarHBondContact O-CB 3.29Å; D620-A623 PolarHBondContact O-N 3.48Å; D620-A623 PolarHBondContact OD1-N 2.95Å; A623-R638 PolarHBondContact O-NH2 3.31Å
624	P	96.3	Very high	95.3	Very high	9 Å²	9	73.4 Å²	73.4	6%	0.058	37%	0.371	C	S	.	.	S	Bend	trans	-77.5	145.7	178.7	-6.1	21.9	0	0	0	112.2	Y613 M616 I617 P621 E628 N629	Y613-P624 HydrophobicContact CD2-CB 4.24Å; Y613-P624 HydrophobicContact CD2-CG 4.27Å; Y613-P624 HydrophobicContact CE2-CB 3.97Å; Y613-P624 HydrophobicContact CE2-CG 3.92Å; M616-P624 HydrophobicContact CG-CG 4.19Å; M616-P624 HydrophobicContact SD-CB 4.07Å; M616-P624 HydrophobicContact SD-CG 3.83Å; I617-P624 HydrophobicContact CG2-CG 3.55Å; P621-P624 WeakPolarHBondContact O-CD 3.34Å; P624-E628 HydrophobicContact CB-CB 3.87Å; P624-N629 PolarHBondContact O-ND2 2.87Å
625	T	96.1	Very high	95.1	Very high	73 Å²	73	71 Å²	71	45%	0.448	36%	0.362	S	S	.	.			trans	-69.5	165.5	172.1	71.6	0	0	0	0	111.7	E627 E628 N629	T625-E627 VanDerWaalsContact C-N 3.29Å; T625-E627 PolarHBondContact O-N 3.29Å; T625-E628 PolarHBondContact N-OE2 3.07Å; T625-E628 PolarHBondContact O-N 3.22Å; T625-E628 WeakPolarHBondContact OG1-CG 3.33Å; T625-E628 PolarHBondContact OG1-N 3.08Å; T625-N629 PolarHBondContact O-N 3.4Å; T625-N629 PolarHBondContact O-ND2 3.29Å; T625-N629 VanDerWaalsContact O-ND2 3.17Å
626	L	95.8	Very high	94.9	Very high	144 Å²	144	69.6 Å²	69.6	75%	0.754	36%	0.356	S	S	*	.	H	α-helix	trans	-52	-46.7	174.4	-62.4	176.8	0	0	0	111.9	E628 N629 D630	L626-E628 VanDerWaalsContact C-N 3.33Å; L626-E628 PolarHBondContact O-N 3.27Å; L626-N629 PolarHBondContact O-N 3.12Å; L626-D630 PolarHBondContact O-N 2.91Å
627	E	94.8	Very high	94.7	Very high	121 Å²	121	69.9 Å²	69.9	57%	0.565	36%	0.358	S	S	*	.	H	α-helix	trans	-61.9	-36.4	175.4	-74.1	-167.6	-141.8	0	0	113.6	T625 K631	T625-E627 VanDerWaalsContact C-N 3.29Å; T625-E627 PolarHBondContact O-N 3.29Å; E627-K631 VanDerWaalsContact O-CB 3.26Å; E627-K631 WeakPolarHBondContact O-CB 3.43Å; E627-K631 VanDerWaalsContact O-CD 3.23Å; E627-K631 WeakPolarHBondContact O-CD 3.33Å; E627-K631 WeakPolarHBondContact O-CG 3.45Å; E627-K631 PolarHBondContact O-N 2.95Å; E627-K631 IonicContact OE2-NZ 2.66Å; E627-K631 PolarHBondContact OE2-NZ 3.07Å
628	E	95.9	Very high	94.5	Very high	23 Å²	23	70.8 Å²	70.8	11%	0.107	36%	0.358	C	S	.	.	H	α-helix	trans	-71.8	-33.7	178.6	-71.5	177.1	132.2	0	0	111.9	Y613 P624 T625 L626 K632 A633 V634 R638	Y613-E628 WeakPolarHBondContact CD2-O 3.45Å; Y613-E628 WeakPolarHBondContact CE2-O 3.45Å; P624-E628 HydrophobicContact CB-CB 3.87Å; T625-E628 PolarHBondContact N-OE2 3.07Å; T625-E628 PolarHBondContact O-N 3.22Å; T625-E628 WeakPolarHBondContact OG1-CG 3.33Å; T625-E628 PolarHBondContact OG1-N 3.08Å; L626-E628 VanDerWaalsContact C-N 3.33Å; L626-E628 PolarHBondContact O-N 3.27Å; E628-K632 VanDerWaalsContact O-CA 3.28Å; E628-K632 WeakPolarHBondContact O-CA 3.5Å; E628-K632 PolarHBondContact O-N 3.26Å; E628-A633 PolarHBondContact O-N 2.92Å; E628-V634 HydrophobicContact CB-CG1 4.08Å; E628-V634 HydrophobicContact CG-CG1 4.08Å; E628-V634 WeakPolarHBondContact OE1-CG1 3.44Å; E628-R638 WeakPolarHBondContact OE1-CG 3.33Å; E628-R638 IonicContact OE1-CZ 2.92Å; E628-R638 IonicContact OE1-NE 3.29Å; E628-R638 PolarHBondContact OE1-NE 2.84Å; E628-R638 IonicContact OE1-NH2 2.81Å; E628-R638 IonicContact OE2-CZ 3.96Å; E628-R638 IonicContact OE2-NE 2.69Å; E628-R638 PolarHBondContact OE2-NE 2.98Å; E628-R638 VanDerWaalsContact OE2-NE 3.14Å; E628-R638 IonicContact OE2-NH2 3.58Å; E628-R638 PolarHBondContact OE2-NH2 2.89Å
629	N	96.4	Very high	94.5	Very high	47 Å²	47	65.3 Å²	65.3	25%	0.251	33%	0.332	S	S	.	.	H	α-helix	trans	-68.5	-45.7	172	-72.9	-45.2	0	0	0	111.8	Y613 P624 T625 L626 K631 K632	Y613-N629 WeakPolarHBondContact CE2-OD1 3.41Å; Y613-N629 PolarHBondContact OH-OD1 2.91Å; Y613-N629 VanDerWaalsContact OH-OD1 3.07Å; P624-N629 PolarHBondContact O-ND2 2.87Å; T625-N629 PolarHBondContact O-N 3.4Å; T625-N629 PolarHBondContact O-ND2 3.29Å; T625-N629 VanDerWaalsContact O-ND2 3.17Å; L626-N629 PolarHBondContact O-N 3.12Å; N629-K631 VanDerWaalsContact C-N 3.34Å; N629-K631 PolarHBondContact O-N 2.65Å; N629-K632 WeakPolarHBondContact O-CG 3.36Å; N629-K632 PolarHBondContact O-N 3.38Å
630	D	96.2	Very high	94.5	Very high	135 Å²	135	65.2 Å²	65.2	72%	0.722	33%	0.33	S	S	*	.	H	α-helix	trans	-59.8	-44.2	175.6	-72.2	-24	0	0	0	111.6	L626 K632	L626-D630 PolarHBondContact O-N 2.91Å; D630-K632 VanDerWaalsContact C-N 3.31Å
631	K	95.1	Very high	94.5	Very high	125 Å²	125	66.3 Å²	66.3	54%	0.543	33%	0.334	S	S	.	.	H	α-helix	trans	-81	-11.7	-179.6	-64.5	163.8	-166.7	175.4	0	113	E627 N629 A633	E627-K631 VanDerWaalsContact O-CB 3.26Å; E627-K631 WeakPolarHBondContact O-CB 3.43Å; E627-K631 VanDerWaalsContact O-CD 3.23Å; E627-K631 WeakPolarHBondContact O-CD 3.33Å; E627-K631 WeakPolarHBondContact O-CG 3.45Å; E627-K631 PolarHBondContact O-N 2.95Å; E627-K631 IonicContact OE2-NZ 2.66Å; E627-K631 PolarHBondContact OE2-NZ 3.07Å; N629-K631 VanDerWaalsContact C-N 3.34Å; N629-K631 PolarHBondContact O-N 2.65Å; K631-A633 WeakPolarHBondContact O-CB 3.4Å; K631-A633 PolarHBondContact O-N 3.17Å; K631-A633 VanDerWaalsContact O-N 3.13Å
632	K	96.6	Very high	94.5	Very high	138 Å²	138	62.5 Å²	62.5	60%	0.6	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	45	38.3	-172.2	-60.1	-173.9	-179.6	-176.6	0	113	P610 Y613 E628 N629 D630	P610-K632 WeakPolarHBondContact CA-O 3.44Å; Y613-K632 WeakPolarHBondContact CB-O 3.29Å; Y613-K632 VanDerWaalsContact CD1-C 3.45Å; Y613-K632 HydrophobicContact CD1-CB 3.97Å; Y613-K632 WeakPolarHBondContact CD1-O 3.44Å; Y613-K632 HydrophobicContact CE1-CB 3.81Å; Y613-K632 HydrophobicContact CE1-CG 4.07Å; E628-K632 VanDerWaalsContact O-CA 3.28Å; E628-K632 WeakPolarHBondContact O-CA 3.5Å; E628-K632 PolarHBondContact O-N 3.26Å; N629-K632 WeakPolarHBondContact O-CG 3.36Å; N629-K632 PolarHBondContact O-N 3.38Å; D630-K632 VanDerWaalsContact C-N 3.31Å
633	A	95.8	Very high	94.4	Very high	11 Å²	11	56 Å²	56	9%	0.091	28%	0.275	C	S	.	.			trans	-160.5	125.8	-170.1	0	0	0	0	0	112	P608 P610 E628 K631	P608-A633 HydrophobicContact CB-CB 3.55Å; P610-A633 HydrophobicContact CG-CB 4.15Å; E628-A633 PolarHBondContact O-N 2.92Å; K631-A633 WeakPolarHBondContact O-CB 3.4Å; K631-A633 PolarHBondContact O-N 3.17Å; K631-A633 VanDerWaalsContact O-N 3.13Å
634	V	95.5	Very high	94.4	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	157.5	175.6	-56.6	0	0	0	0	110.5	P608 R609 M612 Y613 M616 E628 Y639	P608-V634 CarbonylContact C-O 3.26Å; P608-V634 WeakPolarHBondContact CA-O 3.41Å; R609-V634 WeakPolarHBondContact CB-O 3.46Å; R609-V634 PolarHBondContact N-O 3.28Å; M612-V634 HydrophobicContact CB-CG2 3.59Å; Y613-V634 HydrophobicContact CD2-CG1 4.15Å; M616-V634 HydrophobicContact CE-CB 4.5Å; M616-V634 HydrophobicContact CE-CG1 4.05Å; M616-V634 HydrophobicContact CE-CG2 4.39Å; M616-V634 HydrophobicContact SD-CG1 4.02Å; E628-V634 HydrophobicContact CB-CG1 4.08Å; E628-V634 HydrophobicContact CG-CG1 4.08Å; E628-V634 WeakPolarHBondContact OE1-CG1 3.44Å; V634-Y639 HydrophobicContact CG2-CD2 4.31Å
635	T	92.8	Very high	94.2	Very high	39 Å²	39	58.9 Å²	58.9	24%	0.239	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	156.6	172.2	71.6	0	0	0	0	111.5	P606 R638 Y639	P606-T635 HydrophobicContact CB-CG2 4.37Å; T635-R638 PolarHBondContact O-N 3.06Å; T635-R638 WeakPolarHBondContact OG1-CB 3.14Å; T635-Y639 PolarHBondContact O-N 2.7Å; T635-Y639 VanDerWaalsContact O-N 3.08Å
636	K	90.5	Very high	94.1	Very high	54 Å²	54	56.7 Å²	56.7	24%	0.235	28%	0.275	C	S	.	.	H	α-helix	trans	-55.5	-53	-179.2	176.7	-179.7	179.2	-179.9	0	113.1	E598 M612 R638 Y639 M640	E598-K636 WeakPolarHBondContact OE1-CE 3.06Å; E598-K636 IonicContact OE1-NZ 3.49Å; E598-K636 PolarHBondContact OE1-NZ 2.88Å; E598-K636 IonicContact OE2-NZ 2.75Å; E598-K636 PolarHBondContact OE2-NZ 3.37Å; M612-K636 HydrophobicContact CE-CG 4.23Å; M612-K636 HydrophobicContact SD-CB 4.1Å; M612-K636 HydrophobicContact SD-CG 4.22Å; K636-R638 PolarHBondContact O-N 3.28Å; K636-Y639 PolarHBondContact O-N 3.41Å; K636-M640 HydrophobicContact CG-CG 4.35Å; K636-M640 WeakPolarHBondContact O-CG 3.4Å; K636-M640 PolarHBondContact O-N 3.34Å
637	P	89.7	Confident	94.1	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.039	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-40.9	-175.6	-22.2	35.2	0	0	0	112.3	L599 A602 Y639 M640 Q641	L599-P637 HydrophobicContact CD2-CB 3.59Å; L599-P637 HydrophobicContact CD2-CG 4.25Å; L599-P637 HydrophobicContact CG-CB 4.49Å; A602-P637 HydrophobicContact CB-CG 3.63Å; P637-Y639 VanDerWaalsContact C-N 3.33Å; P637-Y639 PolarHBondContact O-N 3.47Å; P637-M640 CarbonylContact O-C 3.57Å; P637-M640 WeakPolarHBondContact O-CA 3.47Å; P637-M640 PolarHBondContact O-N 3.02Å; P637-Q641 WeakPolarHBondContact O-CB 3.39Å; P637-Q641 WeakPolarHBondContact O-CG 3.35Å; P637-Q641 PolarHBondContact O-N 3.39Å
638	R	93	Very high	94.3	Very high	65 Å²	65	44.1 Å²	44.1	25%	0.245	21%	0.213	C	C	.	.	H	α-helix	trans	-56.1	-41.8	174.2	163.2	56.7	178.7	141.3	2.5	113	A623 E628 T635 K636 W642	A623-R638 PolarHBondContact O-NH2 3.31Å; E628-R638 WeakPolarHBondContact OE1-CG 3.33Å; E628-R638 IonicContact OE1-CZ 2.92Å; E628-R638 IonicContact OE1-NE 3.29Å; E628-R638 PolarHBondContact OE1-NE 2.84Å; E628-R638 IonicContact OE1-NH2 2.81Å; E628-R638 IonicContact OE2-CZ 3.96Å; E628-R638 IonicContact OE2-NE 2.69Å; E628-R638 PolarHBondContact OE2-NE 2.98Å; E628-R638 VanDerWaalsContact OE2-NE 3.14Å; E628-R638 IonicContact OE2-NH2 3.58Å; E628-R638 PolarHBondContact OE2-NH2 2.89Å; T635-R638 PolarHBondContact O-N 3.06Å; T635-R638 WeakPolarHBondContact OG1-CB 3.14Å; K636-R638 PolarHBondContact O-N 3.28Å; R638-W642 WeakPolarHBondContact O-CB 3.15Å; R638-W642 PolarHBondContact O-N 3.22Å
639	Y	93.9	Very high	94.3	Very high	13 Å²	13	43 Å²	43	5%	0.051	21%	0.208	C	C	.	.	H	α-helix	trans	-66.7	-39.5	172.4	176.7	-93.8	0	0	0	113	M612 K615 M616 V634 T635 K636 P637 W642 R643	M612-Y639 HydrophobicContact CB-CD1 4.33Å; M612-Y639 HydrophobicContact CB-CD2 3.76Å; M612-Y639 HydrophobicContact CB-CE2 4.22Å; M612-Y639 HydrophobicContact CB-CG 3.8Å; M612-Y639 HydrophobicContact CE-CD1 3.52Å; M612-Y639 HydrophobicContact CE-CE1 3.85Å; M612-Y639 HydrophobicContact CE-CG 4.28Å; M612-Y639 HydrophobicContact CG-CD1 4.16Å; M612-Y639 HydrophobicContact CG-CD2 4.42Å; M612-Y639 HydrophobicContact CG-CE1 4.44Å; M612-Y639 HydrophobicContact CG-CG 4.13Å; M612-Y639 WeakPolarHBondContact O-CD2 3.46Å; M612-Y639 WeakPolarHBondContact O-CE2 3.34Å; M612-Y639 HydrophobicContact SD-CD1 3.97Å; M612-Y639 HydrophobicContact SD-CG 4.12Å; K615-Y639 HydrophobicContact CB-CE2 3.86Å; K615-Y639 WeakPolarHBondContact CB-OH 3.35Å; M616-Y639 HydrophobicContact CB-CD2 4.4Å; M616-Y639 HydrophobicContact CB-CE2 4.48Å; M616-Y639 HydrophobicContact CE-CD2 4.2Å; V634-Y639 HydrophobicContact CG2-CD2 4.31Å; T635-Y639 PolarHBondContact O-N 2.7Å; T635-Y639 VanDerWaalsContact O-N 3.08Å; K636-Y639 PolarHBondContact O-N 3.41Å; P637-Y639 VanDerWaalsContact C-N 3.33Å; P637-Y639 PolarHBondContact O-N 3.47Å; Y639-W642 AromaticContact CD2-CE3 4Å; Y639-W642 HydrophobicContact CD2-CE3 4Å; Y639-W642 AromaticContact CD2-CZ3 3.97Å; Y639-W642 HydrophobicContact CD2-CZ3 3.97Å; Y639-W642 HydrophobicContact CE2-CE3 4.11Å; Y639-W642 AromaticContact CE2-CZ3 3.6Å; Y639-W642 HydrophobicContact CE2-CZ3 3.6Å; Y639-R643 HydrophobicContact CE1-CG 4.17Å; Y639-R643 VanDerWaalsContact CZ-NE 3.32Å; Y639-R643 PolarHBondContact O-N 3.17Å; Y639-R643 PolarHBondContact OH-NE 2.96Å; Y639-R643 PolarHBondContact OH-NH2 2.93Å
640	M	92.6	Very high	94.1	Very high	23 Å²	23	43.3 Å²	43.3	11%	0.113	22%	0.217	C	C	.	.	H	α-helix	trans	-66	-46.5	176.5	-57.9	-50.2	-56.7	0	0	111.1	T593 Y594 M612 K636 P637 W642 R643 E644	T593-M640 WeakPolarHBondContact OG1-CE 3.4Å; Y594-M640 HydrophobicContact CD1-CB 3.59Å; Y594-M640 HydrophobicContact CD1-CG 4.28Å; Y594-M640 HydrophobicContact CE1-CB 4.27Å; M612-M640 HydrophobicContact CE-SD 4.37Å; K636-M640 HydrophobicContact CG-CG 4.35Å; K636-M640 WeakPolarHBondContact O-CG 3.4Å; K636-M640 PolarHBondContact O-N 3.34Å; P637-M640 CarbonylContact O-C 3.57Å; P637-M640 WeakPolarHBondContact O-CA 3.47Å; P637-M640 PolarHBondContact O-N 3.02Å; M640-W642 PolarHBondContact O-N 3.42Å; M640-R643 CarbonylContact O-C 3.55Å; M640-R643 WeakPolarHBondContact O-CA 3.35Å; M640-R643 WeakPolarHBondContact O-CB 3.29Å; M640-R643 PolarHBondContact O-N 2.84Å; M640-R643 VanDerWaalsContact O-N 3.08Å; M640-E644 WeakPolarHBondContact O-CG 3.37Å; M640-E644 PolarHBondContact O-N 3.1Å
641	Q	92.4	Very high	94	Very high	71 Å²	71	40.2 Å²	40.2	33%	0.332	20%	0.203	S	C	.	.	H	α-helix	trans	-58.6	-44.9	177.6	-72.6	171.3	-31.6	0	0	112.1	Y594 P637 E644 T645	Y594-Q641 HydrophobicContact CE1-CG 3.53Å; Y594-Q641 WeakPolarHBondContact OH-CG 3.16Å; Y594-Q641 PolarHBondContact OH-NE2 3.11Å; Y594-Q641 VanDerWaalsContact OH-NE2 3.11Å; P637-Q641 WeakPolarHBondContact O-CB 3.39Å; P637-Q641 WeakPolarHBondContact O-CG 3.35Å; P637-Q641 PolarHBondContact O-N 3.39Å; Q641-E644 PolarHBondContact O-N 3.08Å; Q641-T645 PolarHBondContact O-N 3.3Å; Q641-T645 VanDerWaalsContact O-N 3.1Å; Q641-T645 PolarHBondContact O-OG1 2.95Å
642	W	95.1	Very high	94.1	Very high	12 Å²	12	35.3 Å²	35.3	5%	0.045	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-43.3	172.5	162.6	80.5	0	0	0	112.1	M616 V619 D620 R638 Y639 M640 E644 T645 I646	M616-W642 HydrophobicContact CB-CE3 4.49Å; M616-W642 HydrophobicContact CB-CH2 4.22Å; M616-W642 HydrophobicContact CB-CZ3 4.2Å; M616-W642 HydrophobicContact CE-CB 3.89Å; M616-W642 HydrophobicContact CE-CD2 3.79Å; M616-W642 HydrophobicContact CE-CE3 3.81Å; M616-W642 HydrophobicContact CE-CG 3.82Å; M616-W642 HydrophobicContact CG-CD2 3.95Å; M616-W642 HydrophobicContact CG-CE3 4.09Å; M616-W642 HydrophobicContact CG-CH2 4.07Å; M616-W642 HydrophobicContact CG-CZ2 3.89Å; M616-W642 HydrophobicContact CG-CZ3 4.16Å; M616-W642 HydrophobicContact SD-CD2 4.45Å; V619-W642 HydrophobicContact CB-CH2 3.77Å; V619-W642 HydrophobicContact CB-CZ2 3.94Å; V619-W642 HydrophobicContact CG1-CH2 4.07Å; V619-W642 HydrophobicContact CG1-CZ2 3.98Å; V619-W642 HydrophobicContact CG2-CH2 4.15Å; D620-W642 HydrophobicContact CB-CZ2 4.09Å; R638-W642 WeakPolarHBondContact O-CB 3.15Å; R638-W642 PolarHBondContact O-N 3.22Å; Y639-W642 AromaticContact CD2-CE3 4Å; Y639-W642 HydrophobicContact CD2-CE3 4Å; Y639-W642 AromaticContact CD2-CZ3 3.97Å; Y639-W642 HydrophobicContact CD2-CZ3 3.97Å; Y639-W642 HydrophobicContact CE2-CE3 4.11Å; Y639-W642 AromaticContact CE2-CZ3 3.6Å; Y639-W642 HydrophobicContact CE2-CZ3 3.6Å; M640-W642 PolarHBondContact O-N 3.42Å; W642-E644 PolarHBondContact O-N 2.98Å; W642-T645 PolarHBondContact O-N 2.73Å; W642-T645 PolarHBondContact O-OG1 2.94Å; W642-T645 VanDerWaalsContact O-OG1 3.09Å; W642-I646 HydrophobicContact CD2-CD1 4.48Å; W642-I646 HydrophobicContact CH2-CD1 3.83Å; W642-I646 HydrophobicContact CZ2-CD1 3.53Å; W642-I646 HydrophobicContact CZ2-CG1 4.48Å; W642-I646 HydrophobicContact CZ3-CD1 4.43Å; W642-I646 WeakPolarHBondContact O-CG1 3.34Å; W642-I646 PolarHBondContact O-N 3.43Å; W642-I646 VanDerWaalsContact O-N 3.08Å
643	R	94.2	Very high	94.2	Very high	47 Å²	47	28.8 Å²	28.8	18%	0.177	15%	0.154	C	C	.	.	H	α-helix	trans	-59.5	-33.8	173.9	-85.2	-164.3	159.9	-111.9	-10	113	Y639 M640 S647	Y639-R643 HydrophobicContact CE1-CG 4.17Å; Y639-R643 VanDerWaalsContact CZ-NE 3.32Å; Y639-R643 PolarHBondContact O-N 3.17Å; Y639-R643 PolarHBondContact OH-NE 2.96Å; Y639-R643 PolarHBondContact OH-NH2 2.93Å; M640-R643 CarbonylContact O-C 3.55Å; M640-R643 WeakPolarHBondContact O-CA 3.35Å; M640-R643 WeakPolarHBondContact O-CB 3.29Å; M640-R643 PolarHBondContact O-N 2.84Å; M640-R643 VanDerWaalsContact O-N 3.08Å; R643-S647 WeakPolarHBondContact O-CB 3.25Å; R643-S647 PolarHBondContact O-N 2.98Å; R643-S647 PolarHBondContact O-OG 3.25Å
644	E	93.1	Very high	94.3	Very high	9 Å²	9	28.2 Å²	28.2	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-73.8	-32.1	-179	-68.7	154.5	-171.4	0	0	111.7	T593 Y594 M640 Q641 W642 T649 A650	T593-E644 WeakPolarHBondContact CA-OE1 3.14Å; T593-E644 WeakPolarHBondContact CB-OE1 3.47Å; T593-E644 PolarHBondContact N-OE1 2.91Å; T593-E644 PolarHBondContact OG1-OE1 2.81Å; Y594-E644 WeakPolarHBondContact CE1-OE2 3.38Å; M640-E644 WeakPolarHBondContact O-CG 3.37Å; M640-E644 PolarHBondContact O-N 3.1Å; Q641-E644 PolarHBondContact O-N 3.08Å; W642-E644 PolarHBondContact O-N 2.98Å; E644-T649 HydrophobicContact CB-CG2 3.97Å; E644-T649 HydrophobicContact CG-CG2 3.67Å; E644-A650 WeakPolarHBondContact O-CB 3.33Å; E644-A650 PolarHBondContact O-N 3.28Å
645	T	93.4	Very high	94.5	Very high	80 Å²	80	28.7 Å²	28.7	49%	0.491	15%	0.151	S	C	.	.	H	α-helix	trans	-84.9	-25	176.9	59.5	0	0	0	0	115.1	Q641 W642 R674	Q641-T645 PolarHBondContact O-N 3.3Å; Q641-T645 VanDerWaalsContact O-N 3.1Å; Q641-T645 PolarHBondContact O-OG1 2.95Å; W642-T645 PolarHBondContact O-N 2.73Å; W642-T645 PolarHBondContact O-OG1 2.94Å; W642-T645 VanDerWaalsContact O-OG1 3.09Å; T645-R674 VanDerWaalsContact O-CD 3.28Å; T645-R674 WeakPolarHBondContact O-CD 3.46Å
646	I	94.1	Very high	94.7	Very high	26 Å²	26	27 Å²	27	13%	0.133	14%	0.141	C	C	.	.	H	α-helix	trans	-85.6	-7.1	173.7	68.1	157.7	0	0	0	114.1	V619 W642 K671 K672	V619-I646 HydrophobicContact CG1-CD1 3.7Å; W642-I646 HydrophobicContact CD2-CD1 4.48Å; W642-I646 HydrophobicContact CH2-CD1 3.83Å; W642-I646 HydrophobicContact CZ2-CD1 3.53Å; W642-I646 HydrophobicContact CZ2-CG1 4.48Å; W642-I646 HydrophobicContact CZ3-CD1 4.43Å; W642-I646 WeakPolarHBondContact O-CG1 3.34Å; W642-I646 PolarHBondContact O-N 3.43Å; W642-I646 VanDerWaalsContact O-N 3.08Å; I646-K671 WeakPolarHBondContact CD1-O 3.49Å; I646-K672 WeakPolarHBondContact O-CA 3.39Å
647	S	95.6	Very high	95	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	14%	0.141	C	C	.	.	S	Bend	trans	-124.5	174.6	178.6	67.5	0	0	0	0	111.2	R643 T649 R655 T673	R643-S647 WeakPolarHBondContact O-CB 3.25Å; R643-S647 PolarHBondContact O-N 2.98Å; R643-S647 PolarHBondContact O-OG 3.25Å; S647-T649 PolarHBondContact O-N 3.29Å; S647-R655 VanDerWaalsContact OG-CD 3.25Å; S647-R655 WeakPolarHBondContact OG-CD 3.29Å; S647-T673 CarbonylContact C-O 3.55Å; S647-T673 WeakPolarHBondContact CA-O 3.19Å
648	S	97.7	Very high	95.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-3.5	-176.9	55.5	0	0	0	0	114.4	A650 T651 L652 F654 R655 T673	S648-A650 PolarHBondContact O-N 2.9Å; S648-T651 PolarHBondContact O-N 3.22Å; S648-T651 PolarHBondContact O-OG1 3.12Å; S648-L652 WeakPolarHBondContact O-CA 3.2Å; S648-L652 WeakPolarHBondContact O-CB 3.38Å; S648-L652 PolarHBondContact O-N 2.82Å; S648-F654 CarbonylContact C-O 3.54Å; S648-F654 WeakPolarHBondContact CB-O 3.4Å; S648-F654 PolarHBondContact OG-O 3.27Å; S648-R655 WeakPolarHBondContact OG-CA 2.97Å; S648-T673 PolarHBondContact N-O 3.39Å
649	T	97.2	Very high	95.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.4	-48.5	-177.9	-69	0	0	0	0	112.5	G590 V591 E644 S647 T651 G653 F654 R655	G590-T649 VanDerWaalsContact O-CG2 3.29Å; G590-T649 WeakPolarHBondContact O-CG2 3.48Å; V591-T649 VanDerWaalsContact O-CG2 3.29Å; V591-T649 WeakPolarHBondContact O-CG2 3.43Å; E644-T649 HydrophobicContact CB-CG2 3.97Å; E644-T649 HydrophobicContact CG-CG2 3.67Å; S647-T649 PolarHBondContact O-N 3.29Å; T649-T651 VanDerWaalsContact C-N 3.28Å; T649-T651 PolarHBondContact O-N 3.48Å; T649-G653 WeakPolarHBondContact O-CA 3.29Å; T649-G653 PolarHBondContact O-N 3.41Å; T649-G653 VanDerWaalsContact O-N 3.09Å; T649-F654 WeakPolarHBondContact CA-O 3.4Å; T649-F654 PolarHBondContact N-O 3.16Å; T649-R655 VanDerWaalsContact OG1-CD 3.29Å; T649-R655 WeakPolarHBondContact OG1-CD 3.45Å; T649-R655 WeakPolarHBondContact OG1-CG 3.4Å; T649-R655 PolarHBondContact OG1-NH1 3.47Å
650	A	90.9	Very high	95.4	Very high	52 Å²	52	23.9 Å²	23.9	43%	0.43	13%	0.13	S	C	.	.	H	α-helix	trans	-72.4	-17.5	-178.2	0	0	0	0	0	114.2	E644 S648	E644-A650 WeakPolarHBondContact O-CB 3.33Å; E644-A650 PolarHBondContact O-N 3.28Å; S648-A650 PolarHBondContact O-N 2.9Å
651	T	95.1	Very high	95.4	Very high	71 Å²	71	25.6 Å²	25.6	44%	0.436	14%	0.137	S	C	.	.	H	α-helix	trans	-112.7	-22.1	-173	50.2	0	0	0	0	114.7	S648 T649 R674 Y770	S648-T651 PolarHBondContact O-N 3.22Å; S648-T651 PolarHBondContact O-OG1 3.12Å; T649-T651 VanDerWaalsContact C-N 3.28Å; T649-T651 PolarHBondContact O-N 3.48Å; T651-R674 PolarHBondContact OG1-O 2.88Å; T651-Y770 PolarHBondContact O-OH 3.5Å
652	L	98	Very high	95.3	Very high	22 Å²	22	25.3 Å²	25.3	12%	0.115	14%	0.135	C	C	.	.	H	α-helix	trans	-135.6	4.7	-176	-61.3	175.1	0	0	0	112.7	S648 F654 R676 V679 G771 S774 I778	S648-L652 WeakPolarHBondContact O-CA 3.2Å; S648-L652 WeakPolarHBondContact O-CB 3.38Å; S648-L652 PolarHBondContact O-N 2.82Å; L652-F654 HydrophobicContact CB-CD1 4.27Å; L652-F654 HydrophobicContact CB-CE1 3.97Å; L652-F654 WeakPolarHBondContact O-CD1 3.37Å; L652-F654 PolarHBondContact O-N 3.28Å; L652-F654 VanDerWaalsContact O-N 3.16Å; L652-R676 HydrophobicContact CD1-CB 4.32Å; L652-V679 HydrophobicContact CD1-CG2 4.45Å; L652-G771 WeakPolarHBondContact O-CA 3.45Å; L652-S774 VanDerWaalsContact O-CB 3.24Å; L652-S774 WeakPolarHBondContact O-CB 3.3Å; L652-S774 PolarHBondContact O-OG 2.72Å; L652-I778 HydrophobicContact CD1-CD1 4.3Å
653	G	97.9	Very high	95	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	69	10.6	175.5	0	0	0	0	0	116.2	G590 T649 G771	G590-G653 CarbonylContact C-O 3.3Å; G590-G653 VanDerWaalsContact C-O 3.26Å; G590-G653 WeakPolarHBondContact CA-O 3.35Å; G590-G653 PolarHBondContact N-O 2.67Å; G590-G653 CarbonylContact O-C 3.56Å; T649-G653 WeakPolarHBondContact O-CA 3.29Å; T649-G653 PolarHBondContact O-N 3.41Å; T649-G653 VanDerWaalsContact O-N 3.09Å; G653-G771 WeakPolarHBondContact O-CA 3.33Å
654	F	98.6	Very high	94.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	168.9	171.7	72	-86.4	0	0	0	111.2	K588 M589 S648 T649 L652 V679 F683 G771 L775 I778	K588-F654 CarbonylContact O-C 3.5Å; K588-F654 WeakPolarHBondContact O-CA 3.23Å; K588-F654 WeakPolarHBondContact O-CB 3.48Å; M589-F654 HydrophobicContact CE-CB 4Å; M589-F654 HydrophobicContact SD-CB 3.64Å; S648-F654 CarbonylContact C-O 3.54Å; S648-F654 WeakPolarHBondContact CB-O 3.4Å; S648-F654 PolarHBondContact OG-O 3.27Å; T649-F654 WeakPolarHBondContact CA-O 3.4Å; T649-F654 PolarHBondContact N-O 3.16Å; L652-F654 HydrophobicContact CB-CD1 4.27Å; L652-F654 HydrophobicContact CB-CE1 3.97Å; L652-F654 WeakPolarHBondContact O-CD1 3.37Å; L652-F654 PolarHBondContact O-N 3.28Å; L652-F654 VanDerWaalsContact O-N 3.16Å; F654-V679 HydrophobicContact CE2-CG1 3.81Å; F654-V679 HydrophobicContact CZ-CG1 3.73Å; F654-F683 HydrophobicContact CE2-CE2 4.05Å; F654-F683 HydrophobicContact CE2-CZ 4.24Å; F654-F683 HydrophobicContact CZ-CE2 4.26Å; F654-G771 WeakPolarHBondContact CD1-O 3.46Å; F654-L775 HydrophobicContact CD1-CD1 4.37Å; F654-L775 HydrophobicContact CD1-CD2 4.11Å; F654-L775 HydrophobicContact CD1-CG 3.7Å; F654-L775 HydrophobicContact CD2-CD2 3.91Å; F654-L775 HydrophobicContact CD2-CG 4.25Å; F654-L775 HydrophobicContact CE1-CB 4.5Å; F654-L775 HydrophobicContact CE1-CD2 3.72Å; F654-L775 HydrophobicContact CE1-CG 3.62Å; F654-L775 HydrophobicContact CE2-CD2 3.5Å; F654-L775 VanDerWaalsContact CE2-CD2 3.5Å; F654-L775 HydrophobicContact CE2-CG 4.18Å; F654-L775 HydrophobicContact CG-CD1 4.32Å; F654-L775 HydrophobicContact CG-CD2 4.21Å; F654-L775 HydrophobicContact CG-CG 4.03Å; F654-L775 HydrophobicContact CZ-CD2 3.39Å; F654-L775 HydrophobicContact CZ-CG 3.87Å; F654-I778 HydrophobicContact CE1-CD1 4.12Å; F654-I778 HydrophobicContact CZ-CD1 3.78Å
655	R	98.1	Very high	94.5	Very high	11 Å²	11	33.1 Å²	33.1	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	153.3	165.8	66.9	-179.7	177.8	-102.7	-1	112.6	C587 K588 T593 S647 S648 T649 E657	C587-R655 CarbonylContact C-O 3.54Å; C587-R655 VanDerWaalsContact CA-O 3.3Å; C587-R655 WeakPolarHBondContact CA-O 3.47Å; K588-R655 HydrophobicContact CB-CG 4.25Å; K588-R655 PolarHBondContact N-O 3.33Å; K588-R655 PolarHBondContact O-N 2.75Å; T593-R655 PolarHBondContact OG1-NH2 2.9Å; S647-R655 VanDerWaalsContact OG-CD 3.25Å; S647-R655 WeakPolarHBondContact OG-CD 3.29Å; S648-R655 WeakPolarHBondContact OG-CA 2.97Å; T649-R655 VanDerWaalsContact OG1-CD 3.29Å; T649-R655 WeakPolarHBondContact OG1-CD 3.45Å; T649-R655 WeakPolarHBondContact OG1-CG 3.4Å; T649-R655 PolarHBondContact OG1-NH1 3.47Å; R655-E657 IonicContact CZ-OE1 3.53Å; R655-E657 VanDerWaalsContact CZ-OE1 3.29Å; R655-E657 IonicContact NE-OE1 2.7Å; R655-E657 PolarHBondContact NE-OE1 2.7Å; R655-E657 IonicContact NH2-OE1 3.5Å; R655-E657 PolarHBondContact NH2-OE1 2.72Å
656	I	97.9	Very high	94.4	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	124.5	170.8	-55.7	168.9	0	0	0	108.1	M585 V659 F670 A682	M585-I656 HydrophobicContact CE-CD1 3.97Å; M585-I656 HydrophobicContact CE-CG2 4.36Å; M585-I656 HydrophobicContact CG-CG2 4.04Å; M585-I656 HydrophobicContact SD-CD1 4.12Å; M585-I656 HydrophobicContact SD-CG1 4.1Å; M585-I656 HydrophobicContact SD-CG2 4.29Å; I656-V659 HydrophobicContact CG2-CG2 4.1Å; I656-F670 HydrophobicContact CB-CB 4.1Å; I656-F670 HydrophobicContact CB-CD1 4.16Å; I656-F670 HydrophobicContact CB-CD2 4.34Å; I656-F670 HydrophobicContact CB-CG 3.93Å; I656-F670 HydrophobicContact CD1-CD1 4.37Å; I656-F670 HydrophobicContact CG2-CB 4.28Å; I656-F670 HydrophobicContact CG2-CD1 3.98Å; I656-F670 HydrophobicContact CG2-CD2 3.58Å; I656-F670 HydrophobicContact CG2-CE1 4.22Å; I656-F670 HydrophobicContact CG2-CE2 3.85Å; I656-F670 HydrophobicContact CG2-CG 3.65Å; I656-F670 HydrophobicContact CG2-CZ 4.16Å; I656-F670 WeakPolarHBondContact O-CB 3.24Å; I656-A682 HydrophobicContact CD1-CB 3.54Å
657	E	95.6	Very high	94.4	Very high	51 Å²	51	34.8 Å²	34.8	24%	0.238	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-30.1	172.5	-70	-90.6	142.1	0	0	111.4	A517 D586 K588 R655	A517-E657 HydrophobicContact CB-CB 4.42Å; D586-E657 PolarHBondContact O-N 2.8Å; K588-E657 HydrophobicContact CB-CG 3.73Å; K588-E657 HydrophobicContact CD-CG 4.44Å; R655-E657 IonicContact CZ-OE1 3.53Å; R655-E657 VanDerWaalsContact CZ-OE1 3.29Å; R655-E657 IonicContact NE-OE1 2.7Å; R655-E657 PolarHBondContact NE-OE1 2.7Å; R655-E657 IonicContact NH2-OE1 3.5Å; R655-E657 PolarHBondContact NH2-OE1 2.72Å
658	G	95.6	Very high	94.2	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	164.8	177	0	0	0	0	0	114.7	M585 D586 N667	M585-G658 WeakPolarHBondContact CA-O 3.36Å; D586-G658 PolarHBondContact N-O 3.4Å; G658-N667 CarbonylContact C-O 3.56Å; G658-N667 WeakPolarHBondContact CA-O 3.23Å
659	V	96.4	Very high	93.9	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.03	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.2	179	176	0	0	0	0	109.6	V584 M585 I656 K661 V666 N667 F670 F686	V584-V659 CarbonylContact O-C 3.45Å; V584-V659 WeakPolarHBondContact O-CA 3.24Å; M585-V659 HydrophobicContact CB-CG2 4.11Å; M585-V659 HydrophobicContact CE-CG2 3.39Å; M585-V659 HydrophobicContact CG-CG2 3.86Å; M585-V659 HydrophobicContact SD-CG2 4.42Å; I656-V659 HydrophobicContact CG2-CG2 4.1Å; V659-K661 HydrophobicContact CG1-CG 4.33Å; V659-V666 CarbonylContact O-C 3.53Å; V659-V666 WeakPolarHBondContact O-CA 3.04Å; V659-N667 PolarHBondContact N-O 2.85Å; V659-N667 PolarHBondContact O-N 2.79Å; V659-F670 HydrophobicContact CB-CE2 4.1Å; V659-F670 HydrophobicContact CB-CZ 4.13Å; V659-F670 HydrophobicContact CG2-CE2 3.69Å; V659-F670 HydrophobicContact CG2-CZ 3.55Å; V659-F686 HydrophobicContact CG1-CD2 3.68Å; V659-F686 HydrophobicContact CG1-CE2 4.24Å
660	K	94.7	Very high	93.7	Very high	17 Å²	17	47.5 Å²	47.5	7%	0.074	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.1	159.8	172.8	-171.8	170.2	-58.8	0	108.9	I514 L516 P582 C583 V584 T665 V666	I514-K660 HydrophobicContact CB-CD 4.37Å; I514-K660 HydrophobicContact CD1-CD 3.59Å; I514-K660 HydrophobicContact CG1-CD 3.63Å; I514-K660 HydrophobicContact CG2-CB 4.42Å; I514-K660 HydrophobicContact CG2-CD 3.75Å; L516-K660 HydrophobicContact CD2-CB 3.9Å; P582-K660 PolarHBondContact O-NZ 3.49Å; C583-K660 CarbonylContact C-O 3.04Å; C583-K660 VanDerWaalsContact CA-O 3.28Å; C583-K660 WeakPolarHBondContact CA-O 3.43Å; V584-K660 PolarHBondContact N-O 2.89Å; V584-K660 PolarHBondContact O-N 3.11Å; K660-T665 WeakPolarHBondContact CA-O 3.07Å; K660-V666 HydrophobicContact CB-CG2 4.18Å; K660-V666 HydrophobicContact CG-CG2 4.21Å
661	K	92.4	Very high	93.8	Very high	58 Å²	58	48 Å²	48	25%	0.252	25%	0.253	S	S	.	.			trans	-97.2	169	171.7	-69.6	-176.4	-177.1	-177	0	112.7	V659 D663 G664 T665 D685	V659-K661 HydrophobicContact CG1-CG 4.33Å; K661-D663 VanDerWaalsContact C-N 3.29Å; K661-D663 WeakPolarHBondContact CB-OD1 3.45Å; K661-D663 PolarHBondContact O-N 3.4Å; K661-G664 PolarHBondContact O-N 3.06Å; K661-G664 VanDerWaalsContact O-N 3.1Å; K661-T665 PolarHBondContact N-O 3.04Å; K661-D685 WeakPolarHBondContact CE-OD2 3.42Å; K661-D685 IonicContact NZ-OD1 3.68Å; K661-D685 PolarHBondContact NZ-OD1 2.95Å; K661-D685 IonicContact NZ-OD2 3.12Å; K661-D685 PolarHBondContact NZ-OD2 2.87Å
662	E	90.1	Very high	93.7	Very high	65 Å²	65	50.3 Å²	50.3	30%	0.304	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-40.3	-178.3	-179.3	175.8	-151.2	0	0	112.4	C583 G664 R688 S730	C583-E662 PolarHBondContact SG-N 2.99Å; E662-G664 PolarHBondContact O-N 3.33Å; E662-G664 VanDerWaalsContact O-N 3.11Å; E662-R688 IonicContact OE2-NH1 2.69Å; E662-S730 WeakPolarHBondContact OE1-CB 3.35Å; E662-S730 PolarHBondContact OE1-OG 3.16Å
663	D	87.9	Confident	93.6	Very high	114 Å²	114	50.2 Å²	50.2	61%	0.61	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.5	176.5	69.3	-19.2	0	0	0	114.8	K661 T665	K661-D663 VanDerWaalsContact C-N 3.29Å; K661-D663 WeakPolarHBondContact CB-OD1 3.45Å; K661-D663 PolarHBondContact O-N 3.4Å; D663-T665 VanDerWaalsContact CG-OG1 3.26Å; D663-T665 VanDerWaalsContact OD1-CB 3.29Å; D663-T665 WeakPolarHBondContact OD1-CB 3.27Å; D663-T665 PolarHBondContact OD1-N 3.17Å; D663-T665 PolarHBondContact OD1-OG1 3.33Å; D663-T665 WeakPolarHBondContact OD2-CB 3.2Å; D663-T665 PolarHBondContact OD2-OG1 2.71Å
664	G	86.9	Confident	93.5	Very high	41 Å²	41	56.3 Å²	56.3	42%	0.423	28%	0.28	S	S	.	.	S	Bend	trans	93.4	-4.1	-175.6	0	0	0	0	0	114.5	K661 E662 V666	K661-G664 PolarHBondContact O-N 3.06Å; K661-G664 VanDerWaalsContact O-N 3.1Å; E662-G664 PolarHBondContact O-N 3.33Å; E662-G664 VanDerWaalsContact O-N 3.11Å; G664-V666 PolarHBondContact O-N 2.95Å
665	T	90.4	Very high	93.5	Very high	77 Å²	77	58.8 Å²	58.8	47%	0.472	30%	0.295	S	S	.	.			trans	-64.6	129.1	176.5	-64.1	0	0	0	0	110.1	K660 K661 D663	K660-T665 WeakPolarHBondContact CA-O 3.07Å; K661-T665 PolarHBondContact N-O 3.04Å; D663-T665 VanDerWaalsContact CG-OG1 3.26Å; D663-T665 VanDerWaalsContact OD1-CB 3.29Å; D663-T665 WeakPolarHBondContact OD1-CB 3.27Å; D663-T665 PolarHBondContact OD1-N 3.17Å; D663-T665 PolarHBondContact OD1-OG1 3.33Å; D663-T665 WeakPolarHBondContact OD2-CB 3.2Å; D663-T665 PolarHBondContact OD2-OG1 2.71Å
666	V	92.3	Very high	93.4	Very high	75 Å²	75	62.1 Å²	62.1	46%	0.455	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.9	177.6	-177.2	0	0	0	0	109.8	L516 V659 K660 G664 R668	L516-V666 HydrophobicContact CD2-CG1 4.1Å; V659-V666 CarbonylContact O-C 3.53Å; V659-V666 WeakPolarHBondContact O-CA 3.04Å; K660-V666 HydrophobicContact CB-CG2 4.18Å; K660-V666 HydrophobicContact CG-CG2 4.21Å; G664-V666 PolarHBondContact O-N 2.95Å; V666-R668 HydrophobicContact CG1-CG 4.36Å
667	N	93.1	Very high	93.4	Very high	67 Å²	67	67.8 Å²	67.8	36%	0.358	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	136.2	172	-170	-2.4	0	0	0	110.1	G658 V659 D669 F670	G658-N667 CarbonylContact C-O 3.56Å; G658-N667 WeakPolarHBondContact CA-O 3.23Å; V659-N667 PolarHBondContact N-O 2.85Å; V659-N667 PolarHBondContact O-N 2.79Å; N667-D669 WeakPolarHBondContact OD1-CB 3.49Å; N667-D669 PolarHBondContact OD1-N 2.72Å; N667-F670 HydrophobicContact CB-CE2 4.06Å; N667-F670 HydrophobicContact CB-CZ 4.23Å
668	R	92.4	Very high	93.5	Very high	133 Å²	133	69.4 Å²	69.4	50%	0.502	34%	0.342	S	S	.	.			trans	-134.9	25.4	173.9	-68.8	-179.8	173.9	144.6	-3.1	111.4	Q515 L516 V666 K671	Q515-R668 PolarHBondContact O-NH2 2.98Å; L516-R668 VanDerWaalsContact O-CZ 3.3Å; L516-R668 PolarHBondContact O-NE 3.31Å; L516-R668 PolarHBondContact O-NH2 2.98Å; V666-R668 HydrophobicContact CG1-CG 4.36Å; R668-K671 WeakPolarHBondContact O-CD 3.33Å; R668-K671 WeakPolarHBondContact O-CE 3.46Å; R668-K671 PolarHBondContact O-NZ 3.36Å
669	D	90.8	Very high	93.6	Very high	116 Å²	116	69.4 Å²	69.4	62%	0.62	34%	0.342	S	S	*	.			trans	-101.6	34.7	-173.4	-148.2	36.3	0	0	0	114.8	N667 K671	N667-D669 WeakPolarHBondContact OD1-CB 3.49Å; N667-D669 PolarHBondContact OD1-N 2.72Å; D669-K671 VanDerWaalsContact C-N 3.27Å; D669-K671 PolarHBondContact O-N 2.87Å; D669-K671 WeakPolarHBondContact OD1-CD 3.15Å; D669-K671 WeakPolarHBondContact OD1-CE 3.3Å; D669-K671 IonicContact OD1-NZ 3.6Å; D669-K671 PolarHBondContact OD1-NZ 3.22Å
670	F	93.6	Very high	93.6	Very high	20 Å²	20	71.1 Å²	71.1	9%	0.088	35%	0.352	C	S	.	.			trans	-88.1	14.7	179.1	-56.9	-77.2	0	0	0	113.5	I656 V659 N667 K672 T673 A682	I656-F670 HydrophobicContact CB-CB 4.1Å; I656-F670 HydrophobicContact CB-CD1 4.16Å; I656-F670 HydrophobicContact CB-CD2 4.34Å; I656-F670 HydrophobicContact CB-CG 3.93Å; I656-F670 HydrophobicContact CD1-CD1 4.37Å; I656-F670 HydrophobicContact CG2-CB 4.28Å; I656-F670 HydrophobicContact CG2-CD1 3.98Å; I656-F670 HydrophobicContact CG2-CD2 3.58Å; I656-F670 HydrophobicContact CG2-CE1 4.22Å; I656-F670 HydrophobicContact CG2-CE2 3.85Å; I656-F670 HydrophobicContact CG2-CG 3.65Å; I656-F670 HydrophobicContact CG2-CZ 4.16Å; I656-F670 WeakPolarHBondContact O-CB 3.24Å; V659-F670 HydrophobicContact CB-CE2 4.1Å; V659-F670 HydrophobicContact CB-CZ 4.13Å; V659-F670 HydrophobicContact CG2-CE2 3.69Å; V659-F670 HydrophobicContact CG2-CZ 3.55Å; N667-F670 HydrophobicContact CB-CE2 4.06Å; N667-F670 HydrophobicContact CB-CZ 4.23Å; F670-K672 PolarHBondContact O-N 3.34Å; F670-T673 WeakPolarHBondContact CA-OG1 3.33Å; F670-T673 WeakPolarHBondContact O-CB 3.36Å; F670-T673 PolarHBondContact O-N 2.83Å; F670-T673 VanDerWaalsContact O-N 3.11Å; F670-A682 HydrophobicContact CD1-CB 4.47Å; F670-A682 HydrophobicContact CE1-CB 3.93Å
671	K	91.8	Very high	93.7	Very high	62 Å²	62	74.8 Å²	74.8	27%	0.27	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-31.8	-173	-61.6	78.8	151.7	-174.3	0	112.9	V619 I646 R668 D669	V619-K671 HydrophobicContact CG1-CB 4.27Å; V619-K671 HydrophobicContact CG2-CB 4.44Å; V619-K671 HydrophobicContact CG2-CG 4.32Å; I646-K671 WeakPolarHBondContact CD1-O 3.49Å; R668-K671 WeakPolarHBondContact O-CD 3.33Å; R668-K671 WeakPolarHBondContact O-CE 3.46Å; R668-K671 PolarHBondContact O-NZ 3.36Å; D669-K671 VanDerWaalsContact C-N 3.27Å; D669-K671 PolarHBondContact O-N 2.87Å; D669-K671 WeakPolarHBondContact OD1-CD 3.15Å; D669-K671 WeakPolarHBondContact OD1-CE 3.3Å; D669-K671 IonicContact OD1-NZ 3.6Å; D669-K671 PolarHBondContact OD1-NZ 3.22Å
672	K	93.7	Very high	94	Very high	120 Å²	120	72.7 Å²	72.7	52%	0.522	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	12.2	178.2	-60.8	-168.5	179.9	-172	0	113	V619 I646 F670 R674 Q678	V619-K672 HydrophobicContact CG1-CD 4.41Å; V619-K672 VanDerWaalsContact CG1-CE 3.44Å; V619-K672 HydrophobicContact CG1-CG 4.08Å; V619-K672 WeakPolarHBondContact O-CE 3.34Å; V619-K672 PolarHBondContact O-NZ 3.33Å; I646-K672 WeakPolarHBondContact O-CA 3.39Å; F670-K672 PolarHBondContact O-N 3.34Å; K672-R674 PolarHBondContact O-N 2.85Å; K672-Q678 PolarHBondContact O-OE1 3.14Å
673	T	96.1	Very high	94.3	Very high	20 Å²	20	69.6 Å²	69.6	12%	0.123	36%	0.355	C	S	.	.			trans	-76.8	104.1	175	-59.5	0	0	0	0	108.2	S647 S648 F670 Q678 V679	S647-T673 CarbonylContact C-O 3.55Å; S647-T673 WeakPolarHBondContact CA-O 3.19Å; S648-T673 PolarHBondContact N-O 3.39Å; F670-T673 WeakPolarHBondContact CA-OG1 3.33Å; F670-T673 WeakPolarHBondContact O-CB 3.36Å; F670-T673 PolarHBondContact O-N 2.83Å; F670-T673 VanDerWaalsContact O-N 3.11Å; T673-Q678 HydrophobicContact CG2-CB 4.11Å; T673-V679 HydrophobicContact CG2-CG2 3.77Å
674	R	95.6	Very high	94.7	Very high	128 Å²	128	68.8 Å²	68.8	48%	0.483	35%	0.347	S	S	.	.			trans	-127.3	-42.1	-168.1	-172.8	175.4	75.1	164.4	4.5	114.6	T645 T651 K672	T645-R674 VanDerWaalsContact O-CD 3.28Å; T645-R674 WeakPolarHBondContact O-CD 3.46Å; T651-R674 PolarHBondContact OG1-O 2.88Å; K672-R674 PolarHBondContact O-N 2.85Å
675	T	97.3	Very high	95.1	Very high	51 Å²	51	70.4 Å²	70.4	31%	0.313	35%	0.346	S	S	.	.	S	Bend	trans	-84.5	157.8	-174.9	83.4	0	0	0	0	111.3	E677 Q678 V679	T675-E677 WeakPolarHBondContact CB-OE2 3.05Å; T675-E677 PolarHBondContact O-N 2.99Å; T675-E677 PolarHBondContact OG1-OE2 3.35Å; T675-Q678 VanDerWaalsContact N-OE1 3.07Å; T675-Q678 PolarHBondContact O-N 2.88Å; T675-Q678 WeakPolarHBondContact OG1-CG 3.46Å; T675-Q678 PolarHBondContact OG1-N 3.12Å; T675-V679 WeakPolarHBondContact O-CG2 2.92Å; T675-V679 PolarHBondContact O-N 2.74Å; T675-V679 VanDerWaalsContact O-N 3.12Å
676	R	97.5	Very high	95.4	Very high	82 Å²	82	66.9 Å²	66.9	31%	0.309	32%	0.324	S	S	.	.	H	α-helix	trans	-60.4	-35.8	-178.8	-177.8	178.9	174.9	114.3	-1.7	111.2	L652 V679 V680 D777 I778 S781	L652-R676 HydrophobicContact CD1-CB 4.32Å; R676-V679 PolarHBondContact O-N 3.47Å; R676-V680 HydrophobicContact CG-CG2 4.4Å; R676-V680 WeakPolarHBondContact O-CB 3.48Å; R676-V680 VanDerWaalsContact O-CG2 3.29Å; R676-V680 WeakPolarHBondContact O-CG2 3.5Å; R676-V680 PolarHBondContact O-N 3.06Å; R676-D777 VanDerWaalsContact NH2-C 3.29Å; R676-D777 PolarHBondContact NH2-O 2.95Å; R676-I778 HydrophobicContact CG-CD1 4.19Å; R676-I778 HydrophobicContact CG-CG1 4.02Å; R676-S781 PolarHBondContact NH2-OG 2.71Å
677	E	97.2	Very high	95.5	Very high	121 Å²	121	63.4 Å²	63.4	57%	0.565	30%	0.303	S	S	*	.	H	α-helix	trans	-69.7	-40.7	-178.7	-47.6	66	-126.4	0	0	111.3	T675 V679 V680 T681	T675-E677 WeakPolarHBondContact CB-OE2 3.05Å; T675-E677 PolarHBondContact O-N 2.99Å; T675-E677 PolarHBondContact OG1-OE2 3.35Å; E677-V679 VanDerWaalsContact C-N 3.31Å; E677-V679 PolarHBondContact O-N 3.44Å; E677-V680 PolarHBondContact O-N 3.36Å; E677-T681 WeakPolarHBondContact O-CB 3.46Å; E677-T681 PolarHBondContact O-N 3.25Å; E677-T681 PolarHBondContact O-OG1 2.76Å
678	Q	97.7	Very high	95.5	Very high	86 Å²	86	68.6 Å²	68.6	40%	0.402	32%	0.318	S	S	.	.	H	α-helix	trans	-63.3	-38.7	173.3	-67.9	173.9	-23.6	0	0	111.5	K672 T673 T675 A682	K672-Q678 PolarHBondContact O-OE1 3.14Å; T673-Q678 HydrophobicContact CG2-CB 4.11Å; T675-Q678 VanDerWaalsContact N-OE1 3.07Å; T675-Q678 PolarHBondContact O-N 2.88Å; T675-Q678 WeakPolarHBondContact OG1-CG 3.46Å; T675-Q678 PolarHBondContact OG1-N 3.12Å; Q678-A682 PolarHBondContact O-N 2.74Å; Q678-A682 VanDerWaalsContact O-N 3.08Å
679	V	98	Very high	95.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-71	-44.9	177.8	173.1	0	0	0	0	111.4	L652 F654 T673 T675 R676 E677 T681 A682 F683 I778	L652-V679 HydrophobicContact CD1-CG2 4.45Å; F654-V679 HydrophobicContact CE2-CG1 3.81Å; F654-V679 HydrophobicContact CZ-CG1 3.73Å; T673-V679 HydrophobicContact CG2-CG2 3.77Å; T675-V679 WeakPolarHBondContact O-CG2 2.92Å; T675-V679 PolarHBondContact O-N 2.74Å; T675-V679 VanDerWaalsContact O-N 3.12Å; R676-V679 PolarHBondContact O-N 3.47Å; E677-V679 VanDerWaalsContact C-N 3.31Å; E677-V679 PolarHBondContact O-N 3.44Å; V679-T681 VanDerWaalsContact C-N 3.31Å; V679-T681 PolarHBondContact O-N 3.08Å; V679-A682 PolarHBondContact O-N 2.8Å; V679-F683 HydrophobicContact CG1-CD2 3.67Å; V679-F683 HydrophobicContact CG1-CE2 3.43Å; V679-F683 VanDerWaalsContact CG1-CE2 3.43Å; V679-F683 VanDerWaalsContact O-CD2 3.29Å; V679-F683 WeakPolarHBondContact O-CD2 3.33Å; V679-F683 PolarHBondContact O-N 3.03Å; V679-I778 HydrophobicContact CG1-CD1 4.03Å
680	V	97.3	Very high	95.4	Very high	40 Å²	40	60.2 Å²	60.2	24%	0.242	29%	0.29	C	S	.	.	H	α-helix	trans	-55.9	-45.4	171.7	164.7	0	0	0	0	110.7	R676 E677 A682 F683 H684 I778 M782	R676-V680 HydrophobicContact CG-CG2 4.4Å; R676-V680 WeakPolarHBondContact O-CB 3.48Å; R676-V680 VanDerWaalsContact O-CG2 3.29Å; R676-V680 WeakPolarHBondContact O-CG2 3.5Å; R676-V680 PolarHBondContact O-N 3.06Å; E677-V680 PolarHBondContact O-N 3.36Å; V680-A682 VanDerWaalsContact C-N 3.33Å; V680-A682 PolarHBondContact O-N 3.39Å; V680-F683 PolarHBondContact O-N 2.97Å; V680-H684 WeakPolarHBondContact O-CB 3.37Å; V680-H684 PolarHBondContact O-N 3.08Å; V680-I778 HydrophobicContact CG2-CG2 3.94Å; V680-M782 HydrophobicContact CB-SD 4.45Å; V680-M782 HydrophobicContact CG1-CG 4.03Å; V680-M782 HydrophobicContact CG1-SD 4.14Å; V680-M782 HydrophobicContact CG2-CG 4.37Å; V680-M782 HydrophobicContact CG2-SD 4.35Å
681	T	96.5	Very high	95.4	Very high	95 Å²	95	62 Å²	62	58%	0.583	31%	0.305	S	S	*	.	H	α-helix	trans	-60	-42.3	177.3	-57.4	0	0	0	0	111.7	E677 V679 H684 D685	E677-T681 WeakPolarHBondContact O-CB 3.46Å; E677-T681 PolarHBondContact O-N 3.25Å; E677-T681 PolarHBondContact O-OG1 2.76Å; V679-T681 VanDerWaalsContact C-N 3.31Å; V679-T681 PolarHBondContact O-N 3.08Å; T681-H684 PolarHBondContact O-N 3.03Å; T681-D685 WeakPolarHBondContact O-CB 3.19Å; T681-D685 PolarHBondContact O-N 3.35Å
682	A	97.1	Very high	95.6	Very high	13 Å²	13	63 Å²	63	11%	0.107	31%	0.311	C	S	.	.	H	α-helix	trans	-68.4	-37.2	177.5	0	0	0	0	0	113.1	I656 F670 Q678 V679 V680 F686	I656-A682 HydrophobicContact CD1-CB 3.54Å; F670-A682 HydrophobicContact CD1-CB 4.47Å; F670-A682 HydrophobicContact CE1-CB 3.93Å; Q678-A682 PolarHBondContact O-N 2.74Å; Q678-A682 VanDerWaalsContact O-N 3.08Å; V679-A682 PolarHBondContact O-N 2.8Å; V680-A682 VanDerWaalsContact C-N 3.33Å; V680-A682 PolarHBondContact O-N 3.39Å; A682-F686 VanDerWaalsContact O-CB 3.29Å; A682-F686 WeakPolarHBondContact O-CB 3.41Å; A682-F686 PolarHBondContact O-N 3.06Å; A682-F686 VanDerWaalsContact O-N 3.08Å
683	F	97.6	Very high	95.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.6	-42.1	173	-78.2	-61	0	0	0	112	M585 F654 V679 V680 F686 V687 F726 L775 I778 F779 M782	M585-F683 HydrophobicContact CE-CD1 4.03Å; M585-F683 HydrophobicContact CE-CE1 4.22Å; M585-F683 HydrophobicContact SD-CD1 3.66Å; M585-F683 HydrophobicContact SD-CE1 3.26Å; M585-F683 WeakPolarHBondContact SD-CE1 3.47Å; M585-F683 HydrophobicContact SD-CZ 4.08Å; F654-F683 HydrophobicContact CE2-CE2 4.05Å; F654-F683 HydrophobicContact CE2-CZ 4.24Å; F654-F683 HydrophobicContact CZ-CE2 4.26Å; V679-F683 HydrophobicContact CG1-CD2 3.67Å; V679-F683 HydrophobicContact CG1-CE2 3.43Å; V679-F683 VanDerWaalsContact CG1-CE2 3.43Å; V679-F683 VanDerWaalsContact O-CD2 3.29Å; V679-F683 WeakPolarHBondContact O-CD2 3.33Å; V679-F683 PolarHBondContact O-N 3.03Å; V680-F683 PolarHBondContact O-N 2.97Å; F683-F686 WeakPolarHBondContact O-CB 3.14Å; F683-F686 PolarHBondContact O-N 2.85Å; F683-F686 VanDerWaalsContact O-N 3.14Å; F683-V687 PolarHBondContact O-N 2.7Å; F683-F726 HydrophobicContact CE1-CZ 4.43Å; F683-L775 HydrophobicContact CE2-CD2 3.8Å; F683-L775 HydrophobicContact CZ-CD2 3.51Å; F683-I778 HydrophobicContact CD2-CG2 3.98Å; F683-I778 HydrophobicContact CE2-CG2 4.34Å; F683-F779 AromaticContact CD1-CE2 3.64Å; F683-F779 HydrophobicContact CD1-CE2 3.64Å; F683-F779 AromaticContact CD1-CZ 3.48Å; F683-F779 HydrophobicContact CD1-CZ 3.48Å; F683-F779 VanDerWaalsContact CD1-CZ 3.48Å; F683-F779 HydrophobicContact CD2-CE2 4.04Å; F683-F779 AromaticContact CE1-CE2 3.52Å; F683-F779 HydrophobicContact CE1-CE2 3.52Å; F683-F779 AromaticContact CE1-CZ 3.61Å; F683-F779 HydrophobicContact CE1-CZ 3.61Å; F683-F779 AromaticContact CE2-CE2 3.93Å; F683-F779 HydrophobicContact CE2-CE2 3.93Å; F683-F779 AromaticContact CG-CE2 3.92Å; F683-F779 HydrophobicContact CG-CE2 3.92Å; F683-F779 HydrophobicContact CG-CZ 4.05Å; F683-F779 AromaticContact CZ-CE2 3.7Å; F683-F779 HydrophobicContact CZ-CE2 3.7Å; F683-F779 HydrophobicContact CZ-CZ 4.27Å; F683-M782 HydrophobicContact CB-CE 3.87Å; F683-M782 HydrophobicContact CB-SD 3.86Å
684	H	95.6	Very high	95.8	Very high	98 Å²	98	56.6 Å²	56.6	45%	0.454	28%	0.282	S	S	.	.	H	α-helix	trans	-62.1	-44.8	177.6	178.5	-94.1	0	0	0	111.7	V680 T681 F686 V687 R688 M782	V680-H684 WeakPolarHBondContact O-CB 3.37Å; V680-H684 PolarHBondContact O-N 3.08Å; T681-H684 PolarHBondContact O-N 3.03Å; H684-F686 VanDerWaalsContact C-N 3.29Å; H684-F686 PolarHBondContact O-N 2.77Å; H684-V687 PolarHBondContact O-N 3.13Å; H684-R688 WeakPolarHBondContact O-CA 3.29Å; H684-R688 PolarHBondContact O-N 3.03Å; H684-M782 HydrophobicContact CB-CE 3.95Å
685	D	95.2	Very high	95.9	Very high	75 Å²	75	53.6 Å²	53.6	40%	0.401	28%	0.275	S	S	.	.	H	α-helix	trans	-63.4	-31.8	173.1	176.5	56.5	0	0	0	113	K661 T681	K661-D685 WeakPolarHBondContact CE-OD2 3.42Å; K661-D685 IonicContact NZ-OD1 3.68Å; K661-D685 PolarHBondContact NZ-OD1 2.95Å; K661-D685 IonicContact NZ-OD2 3.12Å; K661-D685 PolarHBondContact NZ-OD2 2.87Å; T681-D685 WeakPolarHBondContact O-CB 3.19Å; T681-D685 PolarHBondContact O-N 3.35Å
686	F	96.8	Very high	96	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.009	28%	0.276	C	S	.	.	H	α-helix	trans	-74.4	-42.1	177	174.4	-119.4	0	0	0	113.5	C583 V584 M585 V659 A682 F683 H684 Y697 F726 H728	C583-F686 HydrophobicContact CB-CD2 4.45Å; C583-F686 HydrophobicContact CB-CE2 3.76Å; C583-F686 HydrophobicContact CB-CZ 4.39Å; V584-F686 VanDerWaalsContact C-CE2 3.5Å; M585-F686 HydrophobicContact CB-CD1 4.1Å; M585-F686 HydrophobicContact CB-CD2 4.17Å; M585-F686 HydrophobicContact CB-CE1 3.7Å; M585-F686 HydrophobicContact CB-CE2 3.79Å; M585-F686 HydrophobicContact CB-CG 4.31Å; M585-F686 HydrophobicContact CB-CZ 3.54Å; M585-F686 HydrophobicContact CE-CB 3.55Å; M585-F686 HydrophobicContact CE-CD1 3.85Å; M585-F686 HydrophobicContact CE-CD2 4.32Å; M585-F686 HydrophobicContact CE-CG 3.66Å; M585-F686 HydrophobicContact SD-CD1 4.19Å; V659-F686 HydrophobicContact CG1-CD2 3.68Å; V659-F686 HydrophobicContact CG1-CE2 4.24Å; A682-F686 VanDerWaalsContact O-CB 3.29Å; A682-F686 WeakPolarHBondContact O-CB 3.41Å; A682-F686 PolarHBondContact O-N 3.06Å; A682-F686 VanDerWaalsContact O-N 3.08Å; F683-F686 WeakPolarHBondContact O-CB 3.14Å; F683-F686 PolarHBondContact O-N 2.85Å; F683-F686 VanDerWaalsContact O-N 3.14Å; H684-F686 VanDerWaalsContact C-N 3.29Å; H684-F686 PolarHBondContact O-N 2.77Å; F686-Y697 HydrophobicContact CD1-CE2 4.47Å; F686-Y697 AromaticContact CE1-CE2 3.84Å; F686-Y697 HydrophobicContact CE1-CE2 3.84Å; F686-Y697 AromaticContact CE1-CZ 3.97Å; F686-Y697 WeakPolarHBondContact CE1-OH 3.49Å; F686-F726 HydrophobicContact CE1-CB 3.92Å; F686-F726 HydrophobicContact CZ-CB 4.22Å; F686-H728 AromaticContact CE1-CD2 3.86Å; F686-H728 AromaticContact CZ-CD2 3.71Å; F686-H728 PolarHBondContact O-NE2 2.81Å
687	V	95.6	Very high	96	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-84.8	-11	175.5	-53.9	0	0	0	0	113.2	F683 H684 G689 D690 I693 L694 Y697	F683-V687 PolarHBondContact O-N 2.7Å; H684-V687 PolarHBondContact O-N 3.13Å; V687-G689 PolarHBondContact O-N 3.08Å; V687-D690 WeakPolarHBondContact O-CB 3.29Å; V687-D690 PolarHBondContact O-N 3.17Å; V687-I693 HydrophobicContact CB-CG2 4.37Å; V687-I693 HydrophobicContact CG1-CG2 4.1Å; V687-L694 HydrophobicContact CG2-CD1 4.35Å; V687-Y697 HydrophobicContact CG1-CD2 4.14Å; V687-Y697 HydrophobicContact CG1-CE2 4.06Å
688	R	92.2	Very high	96.1	Very high	177 Å²	177	45.6 Å²	45.6	67%	0.668	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	29.3	-179.5	-57.1	174.2	58.2	-165	-5.1	114.1	E662 H684 D690	E662-R688 IonicContact OE2-NH1 2.69Å; H684-R688 WeakPolarHBondContact O-CA 3.29Å; H684-R688 PolarHBondContact O-N 3.03Å; R688-D690 VanDerWaalsContact C-N 3.35Å
689	G	85.8	Confident	96.2	Very high	32 Å²	32	45.2 Å²	45.2	33%	0.33	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	21.5	-174.2	0	0	0	0	0	114.9	V687 S691	V687-G689 PolarHBondContact O-N 3.08Å; G689-S691 PolarHBondContact O-N 3.1Å
690	D	94.3	Very high	96.2	Very high	40 Å²	40	47 Å²	47	21%	0.214	25%	0.247	C	C	.	.			trans	-82.4	93.2	170.9	-164.3	-39	0	0	0	110.7	V687 R688 E692 I693 L694 K732	V687-D690 WeakPolarHBondContact O-CB 3.29Å; V687-D690 PolarHBondContact O-N 3.17Å; R688-D690 VanDerWaalsContact C-N 3.35Å; D690-E692 PolarHBondContact O-N 2.88Å; D690-E692 VanDerWaalsContact O-N 3.08Å; D690-E692 VanDerWaalsContact OD1-CB 3.28Å; D690-E692 WeakPolarHBondContact OD1-CB 3.39Å; D690-E692 PolarHBondContact OD1-N 3.05Å; D690-I693 HydrophobicContact CB-CB 4.16Å; D690-I693 HydrophobicContact CB-CD1 3.95Å; D690-I693 HydrophobicContact CB-CG1 4.09Å; D690-I693 WeakPolarHBondContact O-CB 3.41Å; D690-I693 PolarHBondContact O-N 3.18Å; D690-I693 PolarHBondContact OD1-N 3.44Å; D690-L694 PolarHBondContact O-N 3.28Å; D690-K732 VanDerWaalsContact CG-NZ 3.31Å; D690-K732 IonicContact OD1-NZ 3.74Å; D690-K732 PolarHBondContact OD1-NZ 2.74Å; D690-K732 WeakPolarHBondContact OD2-CE 3.4Å; D690-K732 IonicContact OD2-NZ 2.73Å; D690-K732 PolarHBondContact OD2-NZ 3.45Å; D690-K732 VanDerWaalsContact OD2-NZ 3.07Å
691	S	94.1	Very high	96.3	Very high	58 Å²	58	45 Å²	45	41%	0.406	24%	0.235	S	C	.	.	H	α-helix	trans	-54.6	-25.4	179.5	67.2	0	0	0	0	114.1	G689 N695 E786	G689-S691 PolarHBondContact O-N 3.1Å; S691-N695 VanDerWaalsContact O-CB 3.3Å; S691-N695 WeakPolarHBondContact O-CB 3.43Å; S691-N695 PolarHBondContact O-N 3.41Å; S691-N695 PolarHBondContact O-ND2 3.23Å; S691-E786 WeakPolarHBondContact CA-OE2 3.4Å; S691-E786 WeakPolarHBondContact CB-OE2 3.4Å
692	E	96.4	Very high	96.4	Very high	84 Å²	84	44.6 Å²	44.6	39%	0.393	23%	0.226	S	C	.	.	H	α-helix	trans	-78.5	-34.5	178.7	-163.6	-168.1	136.4	0	0	111.7	D690 K696 K732	D690-E692 PolarHBondContact O-N 2.88Å; D690-E692 VanDerWaalsContact O-N 3.08Å; D690-E692 VanDerWaalsContact OD1-CB 3.28Å; D690-E692 WeakPolarHBondContact OD1-CB 3.39Å; D690-E692 PolarHBondContact OD1-N 3.05Å; E692-K696 WeakPolarHBondContact O-CB 3.45Å; E692-K696 WeakPolarHBondContact O-CD 3.26Å; E692-K696 WeakPolarHBondContact O-CG 3.4Å; E692-K696 PolarHBondContact O-N 2.65Å; E692-K696 VanDerWaalsContact O-N 3.16Å; E692-K696 IonicContact OE1-NZ 3.63Å; E692-K696 PolarHBondContact OE1-NZ 3.09Å; E692-K732 HydrophobicContact CB-CD 4.11Å; E692-K732 HydrophobicContact CG-CD 4.28Å; E692-K732 WeakPolarHBondContact OE2-CD 3.29Å; E692-K732 WeakPolarHBondContact OE2-CE 3.46Å; E692-K732 IonicContact OE2-NZ 2.65Å; E692-K732 PolarHBondContact OE2-NZ 3.17Å
693	I	97.8	Very high	96.5	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-70.1	-43.7	171.2	-66.9	178.4	0	0	0	109.5	V687 D690 K696 Y697 H728 K732 A734	V687-I693 HydrophobicContact CB-CG2 4.37Å; V687-I693 HydrophobicContact CG1-CG2 4.1Å; D690-I693 HydrophobicContact CB-CB 4.16Å; D690-I693 HydrophobicContact CB-CD1 3.95Å; D690-I693 HydrophobicContact CB-CG1 4.09Å; D690-I693 WeakPolarHBondContact O-CB 3.41Å; D690-I693 PolarHBondContact O-N 3.18Å; D690-I693 PolarHBondContact OD1-N 3.44Å; I693-K696 PolarHBondContact O-N 3.03Å; I693-Y697 HydrophobicContact CG2-CD2 3.87Å; I693-Y697 HydrophobicContact CG2-CE2 3.61Å; I693-Y697 WeakPolarHBondContact O-CD2 3.4Å; I693-Y697 PolarHBondContact O-N 3.04Å; I693-H728 HydrophobicContact CD1-CB 4.28Å; I693-H728 HydrophobicContact CG2-CB 3.78Å; I693-K732 HydrophobicContact CD1-CG 4.45Å; I693-K732 HydrophobicContact CG1-CB 4.15Å; I693-K732 HydrophobicContact CG1-CG 4.36Å; I693-A734 HydrophobicContact CG2-CB 4.1Å
694	L	97.3	Very high	96.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.2	-48.2	176.8	-171.9	71.1	0	0	0	111.9	V687 D690 K696 Y697 L698 F779 M782 V783 E786	V687-L694 HydrophobicContact CG2-CD1 4.35Å; D690-L694 PolarHBondContact O-N 3.28Å; L694-K696 PolarHBondContact O-N 3.49Å; L694-Y697 PolarHBondContact O-N 3.16Å; L694-L698 PolarHBondContact O-N 3.27Å; L694-F779 HydrophobicContact CD1-CD1 3.56Å; L694-F779 HydrophobicContact CD1-CE1 3.81Å; L694-F779 HydrophobicContact CD1-CG 4.43Å; L694-F779 HydrophobicContact CG-CD1 4.41Å; L694-M782 HydrophobicContact CD1-CB 4.22Å; L694-M782 HydrophobicContact CD1-CE 3.9Å; L694-M782 HydrophobicContact CD1-SD 4.44Å; L694-M782 HydrophobicContact CD2-CB 3.82Å; L694-V783 HydrophobicContact CB-CG2 4.46Å; L694-V783 HydrophobicContact CD2-CB 4.41Å; L694-V783 HydrophobicContact CD2-CG2 3.62Å; L694-V783 HydrophobicContact CG-CG2 3.71Å; L694-E786 WeakPolarHBondContact CD2-OE2 3.38Å
695	N	97.6	Very high	96.7	Very high	65 Å²	65	46 Å²	46	35%	0.348	23%	0.227	S	C	.	.	H	α-helix	trans	-62.2	-42.4	176.2	-90	-82.6	0	0	0	112.7	S691 Y697 L698 T699	S691-N695 VanDerWaalsContact O-CB 3.3Å; S691-N695 WeakPolarHBondContact O-CB 3.43Å; S691-N695 PolarHBondContact O-N 3.41Å; S691-N695 PolarHBondContact O-ND2 3.23Å; N695-Y697 VanDerWaalsContact C-N 3.33Å; N695-Y697 PolarHBondContact O-N 3.31Å; N695-L698 PolarHBondContact O-N 3.08Å; N695-T699 PolarHBondContact O-N 3.21Å; N695-T699 PolarHBondContact O-OG1 3.44Å; N695-T699 VanDerWaalsContact O-OG1 3.07Å
696	K	98.4	Very high	96.8	Very high	75 Å²	75	44.9 Å²	44.9	33%	0.326	23%	0.229	S	C	.	.	H	α-helix	trans	-62.8	-39.6	176.3	-74.6	167.9	-167.5	171.6	0	112.1	E692 I693 L694 R700 K732 A734	E692-K696 WeakPolarHBondContact O-CB 3.45Å; E692-K696 WeakPolarHBondContact O-CD 3.26Å; E692-K696 WeakPolarHBondContact O-CG 3.4Å; E692-K696 PolarHBondContact O-N 2.65Å; E692-K696 VanDerWaalsContact O-N 3.16Å; E692-K696 IonicContact OE1-NZ 3.63Å; E692-K696 PolarHBondContact OE1-NZ 3.09Å; I693-K696 PolarHBondContact O-N 3.03Å; L694-K696 PolarHBondContact O-N 3.49Å; K696-R700 VanDerWaalsContact O-CB 3.23Å; K696-R700 WeakPolarHBondContact O-CB 3.46Å; K696-R700 PolarHBondContact O-N 3.36Å; K696-K732 WeakPolarHBondContact CD-O 3.48Å; K696-K732 PolarHBondContact NZ-O 2.69Å; K696-A734 HydrophobicContact CB-CB 3.85Å; K696-A734 HydrophobicContact CD-CB 4.41Å
697	Y	98.7	Very high	96.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-44.5	171.9	-74.4	-40.4	0	0	0	112.1	F686 V687 I693 L694 N695 T699 R700 L701 F726 V727 H728 A734 V736 F779	F686-Y697 HydrophobicContact CD1-CE2 4.47Å; F686-Y697 AromaticContact CE1-CE2 3.84Å; F686-Y697 HydrophobicContact CE1-CE2 3.84Å; F686-Y697 AromaticContact CE1-CZ 3.97Å; F686-Y697 WeakPolarHBondContact CE1-OH 3.49Å; V687-Y697 HydrophobicContact CG1-CD2 4.14Å; V687-Y697 HydrophobicContact CG1-CE2 4.06Å; I693-Y697 HydrophobicContact CG2-CD2 3.87Å; I693-Y697 HydrophobicContact CG2-CE2 3.61Å; I693-Y697 WeakPolarHBondContact O-CD2 3.4Å; I693-Y697 PolarHBondContact O-N 3.04Å; L694-Y697 PolarHBondContact O-N 3.16Å; N695-Y697 VanDerWaalsContact C-N 3.33Å; N695-Y697 PolarHBondContact O-N 3.31Å; Y697-T699 PolarHBondContact O-N 2.81Å; Y697-R700 PolarHBondContact O-N 3.33Å; Y697-L701 VanDerWaalsContact O-CG 3.31Å; Y697-L701 WeakPolarHBondContact O-CG 3.46Å; Y697-L701 PolarHBondContact O-N 3.47Å; Y697-F726 AromaticContact CD1-CD1 3.78Å; Y697-F726 HydrophobicContact CD1-CD1 3.78Å; Y697-F726 HydrophobicContact CD1-CE1 4.49Å; Y697-F726 HydrophobicContact CD2-CD1 4.3Å; Y697-F726 HydrophobicContact CE1-CB 3.96Å; Y697-F726 AromaticContact CE1-CD1 3.82Å; Y697-F726 HydrophobicContact CE1-CD1 3.82Å; Y697-F726 HydrophobicContact CE1-CG 4.37Å; Y697-F726 HydrophobicContact CE2-CD1 4.32Å; Y697-F726 HydrophobicContact CG-CD1 4.01Å; Y697-F726 HydrophobicContact CG-CE1 4.49Å; Y697-V727 PolarHBondContact OH-N 3.32Å; Y697-V727 PolarHBondContact OH-O 2.99Å; Y697-H728 HydrophobicContact CE2-CB 4.4Å; Y697-H728 AromaticContact CE2-CD2 3.91Å; Y697-H728 WeakPolarHBondContact OH-CB 3.43Å; Y697-H728 PolarHBondContact OH-CD2 3.42Å; Y697-H728 PolarHBondContact OH-N 3.22Å; Y697-A734 HydrophobicContact CD1-CB 4Å; Y697-A734 HydrophobicContact CE1-CB 3.88Å; Y697-A734 HydrophobicContact CG-CB 4.44Å; Y697-V736 HydrophobicContact CD1-CG2 3.5Å; Y697-V736 HydrophobicContact CE1-CG2 3.92Å; Y697-F779 VanDerWaalsContact CB-CE1 3.48Å; Y697-F779 AromaticContact CD2-CE1 3.9Å; Y697-F779 HydrophobicContact CD2-CE1 3.9Å; Y697-F779 HydrophobicContact CG-CE1 4.07Å
698	L	98.6	Very high	97.1	Very high	11 Å²	11	45.6 Å²	45.6	6%	0.058	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-45.8	177.7	180	55.8	0	0	0	112.5	L694 N695 R700 L701 K702 V776 F779 S780 V783	L694-L698 PolarHBondContact O-N 3.27Å; N695-L698 PolarHBondContact O-N 3.08Å; L698-R700 VanDerWaalsContact C-N 3.34Å; L698-R700 PolarHBondContact O-N 3.07Å; L698-L701 PolarHBondContact O-N 3.02Å; L698-K702 HydrophobicContact CD1-CD 4.18Å; L698-K702 HydrophobicContact CG-CD 4.3Å; L698-K702 WeakPolarHBondContact O-CG 3.42Å; L698-K702 PolarHBondContact O-N 2.87Å; L698-K702 VanDerWaalsContact O-N 3.11Å; L698-V776 HydrophobicContact CD1-CG1 4.23Å; L698-V776 WeakPolarHBondContact CD1-O 3.3Å; L698-F779 HydrophobicContact CB-CB 4.18Å; L698-F779 HydrophobicContact CD1-CB 3.78Å; L698-F779 HydrophobicContact CG-CB 4.47Å; L698-S780 WeakPolarHBondContact CD1-OG 3.4Å; L698-V783 HydrophobicContact CD2-CB 4.31Å; L698-V783 HydrophobicContact CD2-CG2 3.9Å
699	T	98.6	Very high	97.4	Very high	77 Å²	77	41.4 Å²	41.4	47%	0.472	22%	0.221	S	C	.	.	H	α-helix	trans	-57.4	-48.5	173	-57.4	0	0	0	0	110.5	N695 Y697 L701 K702 E703	N695-T699 PolarHBondContact O-N 3.21Å; N695-T699 PolarHBondContact O-OG1 3.44Å; N695-T699 VanDerWaalsContact O-OG1 3.07Å; Y697-T699 PolarHBondContact O-N 2.81Å; T699-L701 PolarHBondContact O-N 2.97Å; T699-K702 WeakPolarHBondContact O-CB 3.36Å; T699-K702 PolarHBondContact O-N 2.9Å; T699-K702 VanDerWaalsContact O-N 3.17Å; T699-E703 WeakPolarHBondContact O-CG 3.44Å; T699-E703 PolarHBondContact O-N 3.01Å
700	R	98.7	Very high	98	Very high	37 Å²	37	45.3 Å²	45.3	14%	0.14	23%	0.233	C	C	.	.	H	α-helix	trans	-64.6	-35.8	-178.7	-176.4	55.2	169.8	-171.7	-0.6	113.6	P553 Y554 K696 Y697 L698 E703 I704 V736	P553-R700 PolarHBondContact O-NH2 3.22Å; Y554-R700 VanDerWaalsContact CD1-NH2 3.31Å; Y554-R700 VanDerWaalsContact CE1-CZ 3.45Å; K696-R700 VanDerWaalsContact O-CB 3.23Å; K696-R700 WeakPolarHBondContact O-CB 3.46Å; K696-R700 PolarHBondContact O-N 3.36Å; Y697-R700 PolarHBondContact O-N 3.33Å; L698-R700 VanDerWaalsContact C-N 3.34Å; L698-R700 PolarHBondContact O-N 3.07Å; R700-E703 WeakPolarHBondContact CD-OE2 3.24Å; R700-E703 IonicContact CZ-OE2 3.49Å; R700-E703 IonicContact NE-OE2 2.92Å; R700-E703 IonicContact NH1-OE2 3.15Å; R700-E703 PolarHBondContact NH1-OE2 3.09Å; R700-E703 WeakPolarHBondContact O-CB 3.15Å; R700-E703 PolarHBondContact O-N 3.08Å; R700-I704 HydrophobicContact CG-CD1 4.13Å; R700-I704 WeakPolarHBondContact O-CD1 3.41Å; R700-I704 VanDerWaalsContact O-CG1 3.23Å; R700-I704 WeakPolarHBondContact O-CG1 3.44Å; R700-I704 PolarHBondContact O-N 3.11Å; R700-V736 HydrophobicContact CB-CG2 4.34Å; R700-V736 HydrophobicContact CG-CB 3.81Å; R700-V736 HydrophobicContact CG-CG2 3.88Å; R700-V736 PolarHBondContact NE-O 3.33Å; R700-V736 PolarHBondContact NH2-O 2.76Å
701	L	98.9	Very high	98.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.9	-38.2	174.3	-69.2	169.7	0	0	0	111.4	Y697 L698 T699 I704 R705 L724 F726 V736 L772 L775 V776 F779	Y697-L701 VanDerWaalsContact O-CG 3.31Å; Y697-L701 WeakPolarHBondContact O-CG 3.46Å; Y697-L701 PolarHBondContact O-N 3.47Å; L698-L701 PolarHBondContact O-N 3.02Å; T699-L701 PolarHBondContact O-N 2.97Å; L701-I704 PolarHBondContact O-N 3.38Å; L701-R705 PolarHBondContact O-N 2.57Å; L701-L724 HydrophobicContact CD2-CD1 3.97Å; L701-F726 HydrophobicContact CD1-CE1 4.09Å; L701-F726 HydrophobicContact CD1-CZ 4.26Å; L701-F726 HydrophobicContact CD2-CE1 4.14Å; L701-F726 HydrophobicContact CD2-CZ 3.89Å; L701-F726 HydrophobicContact CG-CE1 4.37Å; L701-V736 HydrophobicContact CD2-CG1 4.5Å; L701-L772 HydrophobicContact CB-CD1 4.22Å; L701-L772 HydrophobicContact CD2-CD1 3.68Å; L701-L775 HydrophobicContact CD1-CB 4.29Å; L701-V776 HydrophobicContact CB-CG2 3.73Å; L701-F779 HydrophobicContact CD1-CB 4.43Å; L701-F779 HydrophobicContact CD1-CD1 4.42Å; L701-F779 HydrophobicContact CD1-CD2 3.82Å; L701-F779 HydrophobicContact CD1-CE2 4.13Å; L701-F779 HydrophobicContact CD1-CG 3.97Å
702	K	98.8	Very high	98.4	Very high	86 Å²	86	44.5 Å²	44.5	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-65.5	-39.8	173.7	-71.6	169.7	177.3	167.7	0	111.9	L698 T699 A706 V776 S780	L698-K702 HydrophobicContact CD1-CD 4.18Å; L698-K702 HydrophobicContact CG-CD 4.3Å; L698-K702 WeakPolarHBondContact O-CG 3.42Å; L698-K702 PolarHBondContact O-N 2.87Å; L698-K702 VanDerWaalsContact O-N 3.11Å; T699-K702 WeakPolarHBondContact O-CB 3.36Å; T699-K702 PolarHBondContact O-N 2.9Å; T699-K702 VanDerWaalsContact O-N 3.17Å; K702-A706 PolarHBondContact O-N 3.29Å; K702-A706 VanDerWaalsContact O-N 3.14Å; K702-V776 HydrophobicContact CD-CG1 4.47Å; K702-V776 HydrophobicContact CG-CG1 3.97Å; K702-V776 HydrophobicContact CG-CG2 4.38Å; K702-S780 PolarHBondContact NZ-OG 3.24Å
703	E	98.8	Very high	98.5	Very high	79 Å²	79	40.9 Å²	40.9	37%	0.369	21%	0.212	S	C	.	.	H	α-helix	trans	-59.9	-47.9	170.7	-70.3	174.3	-177.2	0	0	112.6	Y554 T699 R700 A706 T707	Y554-E703 HydrophobicContact CE1-CB 3.79Å; T699-E703 WeakPolarHBondContact O-CG 3.44Å; T699-E703 PolarHBondContact O-N 3.01Å; R700-E703 WeakPolarHBondContact CD-OE2 3.24Å; R700-E703 IonicContact CZ-OE2 3.49Å; R700-E703 IonicContact NE-OE2 2.92Å; R700-E703 IonicContact NH1-OE2 3.15Å; R700-E703 PolarHBondContact NH1-OE2 3.09Å; R700-E703 WeakPolarHBondContact O-CB 3.15Å; R700-E703 PolarHBondContact O-N 3.08Å; E703-A706 PolarHBondContact O-N 3.3Å; E703-T707 PolarHBondContact O-N 3.08Å; E703-T707 VanDerWaalsContact O-N 3.08Å; E703-T707 PolarHBondContact O-OG1 2.82Å
704	I	98.9	Very high	98.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.5	-48.9	178.9	-72.9	164.4	0	0	0	109.8	Y554 R700 L701 A706 T707 L708 L724 V736 L772	Y554-I704 HydrophobicContact CD1-CB 4.38Å; Y554-I704 HydrophobicContact CD1-CD1 4.31Å; Y554-I704 HydrophobicContact CD1-CG1 3.32Å; Y554-I704 HydrophobicContact CE1-CG1 3.87Å; Y554-I704 HydrophobicContact CG-CG1 4.12Å; R700-I704 HydrophobicContact CG-CD1 4.13Å; R700-I704 WeakPolarHBondContact O-CD1 3.41Å; R700-I704 VanDerWaalsContact O-CG1 3.23Å; R700-I704 WeakPolarHBondContact O-CG1 3.44Å; R700-I704 PolarHBondContact O-N 3.11Å; L701-I704 PolarHBondContact O-N 3.38Å; I704-A706 PolarHBondContact O-N 3.38Å; I704-T707 PolarHBondContact O-N 3.06Å; I704-T707 VanDerWaalsContact O-N 3.17Å; I704-L708 HydrophobicContact CG2-CD1 3.58Å; I704-L708 HydrophobicContact CG2-CG 4.2Å; I704-L708 VanDerWaalsContact O-CG 3.29Å; I704-L708 WeakPolarHBondContact O-CG 3.39Å; I704-L708 PolarHBondContact O-N 3.46Å; I704-L724 HydrophobicContact CD1-CD2 4.29Å; I704-V736 HydrophobicContact CD1-CB 3.85Å; I704-V736 HydrophobicContact CD1-CG1 4.05Å; I704-L772 HydrophobicContact CG2-CD2 3.85Å
705	R	98.8	Very high	98.6	Very high	60 Å²	60	45.9 Å²	45.9	23%	0.226	23%	0.231	C	C	.	.	H	α-helix	trans	-56.3	-53.5	179.2	-178.6	168.5	68.4	-171.8	3.2	112.1	L701 T707 L708 E709 L769 L772 D773	L701-R705 PolarHBondContact O-N 2.57Å; R705-T707 PolarHBondContact O-N 2.71Å; R705-L708 PolarHBondContact O-N 2.87Å; R705-L708 VanDerWaalsContact O-N 3.15Å; R705-E709 WeakPolarHBondContact O-CG 3.24Å; R705-E709 PolarHBondContact O-N 3.38Å; R705-E709 VanDerWaalsContact O-N 3.07Å; R705-L769 HydrophobicContact CG-CD2 4.33Å; R705-L772 HydrophobicContact CB-CD2 3.67Å; R705-L772 HydrophobicContact CB-CG 4.24Å; R705-L772 HydrophobicContact CG-CD2 4.34Å; R705-D773 WeakPolarHBondContact CD-OD1 3.12Å; R705-D773 IonicContact CZ-OD1 3.06Å; R705-D773 IonicContact NE-OD1 3.73Å; R705-D773 IonicContact NH1-OD1 2.69Å; R705-D773 PolarHBondContact NH1-OD1 3.48Å
706	A	98.8	Very high	98.6	Very high	53 Å²	53	44.6 Å²	44.6	44%	0.438	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-27.2	-179.4	0	0	0	0	0	113.1	K702 E703 I704	K702-A706 PolarHBondContact O-N 3.29Å; K702-A706 VanDerWaalsContact O-N 3.14Å; E703-A706 PolarHBondContact O-N 3.3Å; I704-A706 PolarHBondContact O-N 3.38Å
707	T	98.8	Very high	98.6	Very high	17 Å²	17	41.2 Å²	41.2	10%	0.104	21%	0.212	C	C	.	.	H	α-helix	trans	-80.3	-37.8	175.8	-50.1	0	0	0	0	112.1	V550 L551 Y554 E703 I704 R705 I710 S711	V550-T707 HydrophobicContact CB-CG2 4.03Å; V550-T707 HydrophobicContact CG2-CG2 3.9Å; V550-T707 WeakPolarHBondContact O-CG2 3.26Å; L551-T707 HydrophobicContact CD2-CG2 3.84Å; L551-T707 HydrophobicContact CG-CG2 4.41Å; Y554-T707 HydrophobicContact CD2-CG2 3.96Å; Y554-T707 HydrophobicContact CE2-CG2 3.59Å; Y554-T707 WeakPolarHBondContact CE2-OG1 3.44Å; Y554-T707 VanDerWaalsContact CZ-OG1 3.26Å; Y554-T707 PolarHBondContact OH-OG1 2.91Å; Y554-T707 VanDerWaalsContact OH-OG1 3.05Å; E703-T707 PolarHBondContact O-N 3.08Å; E703-T707 VanDerWaalsContact O-N 3.08Å; E703-T707 PolarHBondContact O-OG1 2.82Å; I704-T707 PolarHBondContact O-N 3.06Å; I704-T707 VanDerWaalsContact O-N 3.17Å; R705-T707 PolarHBondContact O-N 2.71Å; T707-I710 WeakPolarHBondContact O-CG1 3.49Å; T707-I710 PolarHBondContact O-N 3.07Å; T707-S711 WeakPolarHBondContact O-CB 3.35Å; T707-S711 PolarHBondContact O-N 3.3Å
708	L	98.8	Very high	98.5	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-43.9	175.8	-73.1	165.4	0	0	0	111.6	L551 I704 R705 I710 S711 F714 M738 Y768 L769 L772	L551-L708 HydrophobicContact CD1-CD2 3.8Å; L551-L708 HydrophobicContact CD2-CD2 3.58Å; L551-L708 HydrophobicContact CD2-CG 3.91Å; L551-L708 HydrophobicContact CG-CD2 4.33Å; I704-L708 HydrophobicContact CG2-CD1 3.58Å; I704-L708 HydrophobicContact CG2-CG 4.2Å; I704-L708 VanDerWaalsContact O-CG 3.29Å; I704-L708 WeakPolarHBondContact O-CG 3.39Å; I704-L708 PolarHBondContact O-N 3.46Å; R705-L708 PolarHBondContact O-N 2.87Å; R705-L708 VanDerWaalsContact O-N 3.15Å; L708-I710 PolarHBondContact O-N 3.1Å; L708-I710 VanDerWaalsContact O-N 3.11Å; L708-S711 PolarHBondContact O-N 2.88Å; L708-S711 VanDerWaalsContact O-N 3.07Å; L708-F714 HydrophobicContact CB-CD1 3.83Å; L708-F714 HydrophobicContact CB-CE1 3.91Å; L708-F714 HydrophobicContact CB-CG 4.3Å; L708-F714 HydrophobicContact CB-CZ 4.45Å; L708-F714 HydrophobicContact CD1-CZ 4.45Å; L708-F714 HydrophobicContact CD2-CB 4.19Å; L708-F714 HydrophobicContact CD2-CD1 3.89Å; L708-F714 HydrophobicContact CD2-CD2 3.37Å; L708-F714 HydrophobicContact CD2-CE1 4.06Å; L708-F714 HydrophobicContact CD2-CE2 3.59Å; L708-F714 HydrophobicContact CD2-CG 3.54Å; L708-F714 HydrophobicContact CD2-CZ 3.93Å; L708-F714 HydrophobicContact CG-CD1 4.45Å; L708-F714 HydrophobicContact CG-CE1 4.44Å; L708-F714 WeakPolarHBondContact O-CD1 3.28Å; L708-M738 HydrophobicContact CD2-CE 3.61Å; L708-M738 HydrophobicContact CD2-SD 3.81Å; L708-Y768 HydrophobicContact CD1-CD1 4.27Å; L708-Y768 HydrophobicContact CD1-CE1 3.84Å; L708-L769 HydrophobicContact CB-CD2 3.97Å; L708-L769 HydrophobicContact CD1-CD2 3.85Å; L708-L772 HydrophobicContact CD1-CD2 3.54Å
709	E	98.6	Very high	98.5	Very high	89 Å²	89	40.7 Å²	40.7	42%	0.416	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.1	-179	-71	170.2	153.2	0	0	113.9	R705 R756 L769	R705-E709 WeakPolarHBondContact O-CG 3.24Å; R705-E709 PolarHBondContact O-N 3.38Å; R705-E709 VanDerWaalsContact O-N 3.07Å; E709-R756 IonicContact OE1-CZ 3.97Å; E709-R756 IonicContact OE1-NH1 3.14Å; E709-R756 PolarHBondContact OE1-NH1 3.07Å; E709-R756 IonicContact OE1-NH2 2.72Å; E709-R756 PolarHBondContact OE1-NH2 3.42Å; E709-L769 HydrophobicContact CG-CD1 4Å
710	I	98.3	Very high	98.5	Very high	113 Å²	113	37 Å²	37	58%	0.579	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.3	0.7	176.5	65.9	171.1	0	0	0	113.9	V550 T707 L708 P712	V550-I710 HydrophobicContact CG2-CG1 4.34Å; T707-I710 WeakPolarHBondContact O-CG1 3.49Å; T707-I710 PolarHBondContact O-N 3.07Å; L708-I710 PolarHBondContact O-N 3.1Å; L708-I710 VanDerWaalsContact O-N 3.11Å; I710-P712 VanDerWaalsContact O-CD 3.3Å; I710-P712 WeakPolarHBondContact O-CD 3.43Å
711	S	98.7	Very high	98.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.			trans	-80	119.4	-172.4	170.1	0	0	0	0	112.6	D549 L551 T707 L708 F713 F714 R715	D549-S711 WeakPolarHBondContact OD1-CB 3.36Å; D549-S711 PolarHBondContact OD1-OG 2.85Å; D549-S711 PolarHBondContact OD2-OG 2.69Å; D549-S711 VanDerWaalsContact OD2-OG 3.14Å; L551-S711 WeakPolarHBondContact CD1-OG 3.5Å; T707-S711 WeakPolarHBondContact O-CB 3.35Å; T707-S711 PolarHBondContact O-N 3.3Å; L708-S711 PolarHBondContact O-N 2.88Å; L708-S711 VanDerWaalsContact O-N 3.07Å; S711-F713 VanDerWaalsContact C-N 3.29Å; S711-F713 PolarHBondContact O-N 3Å; S711-F713 PolarHBondContact OG-N 2.97Å; S711-F714 PolarHBondContact O-N 2.76Å; S711-F714 PolarHBondContact OG-N 3.11Å; S711-R715 WeakPolarHBondContact O-CG 3.46Å; S711-R715 PolarHBondContact O-N 3.17Å
712	P	98.1	Very high	98.2	Very high	82 Å²	82	36 Å²	36	53%	0.532	19%	0.188	S	C	.	.	H	α-helix	trans	-63.4	-32.8	172.3	-23.4	35.7	0	0	0	113.2	D549 I710 S716	D549-P712 WeakPolarHBondContact OD2-CD 3.43Å; I710-P712 VanDerWaalsContact O-CD 3.3Å; I710-P712 WeakPolarHBondContact O-CD 3.43Å; P712-S716 WeakPolarHBondContact O-CB 3.43Å; P712-S716 PolarHBondContact O-OG 2.56Å
713	F	98.4	Very high	98.2	Very high	7 Å²	7	32 Å²	32	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-54.1	170.3	175.6	-93.1	0	0	0	110.8	C542 R545 L546 D549 L551 S711 S716 H717 T744	C542-F713 HydrophobicContact CB-CE2 4.16Å; C542-F713 HydrophobicContact CB-CZ 3.9Å; R545-F713 HydrophobicContact CB-CD2 3.73Å; R545-F713 HydrophobicContact CB-CE2 4.01Å; L546-F713 HydrophobicContact CD1-CE1 4.05Å; L546-F713 HydrophobicContact CD1-CZ 4.02Å; L546-F713 HydrophobicContact CD2-CD1 3.5Å; L546-F713 VanDerWaalsContact CD2-CD1 3.5Å; L546-F713 HydrophobicContact CD2-CD2 4.5Å; L546-F713 HydrophobicContact CD2-CE1 3.7Å; L546-F713 HydrophobicContact CD2-CG 3.94Å; L546-F713 HydrophobicContact CD2-CZ 4.29Å; L546-F713 HydrophobicContact CG-CD1 4.05Å; L546-F713 HydrophobicContact CG-CD2 4.33Å; L546-F713 HydrophobicContact CG-CE1 3.91Å; L546-F713 HydrophobicContact CG-CE2 4.19Å; L546-F713 HydrophobicContact CG-CG 4.26Å; L546-F713 HydrophobicContact CG-CZ 3.98Å; D549-F713 HydrophobicContact CB-CB 4.02Å; D549-F713 VanDerWaalsContact CG-CB 3.48Å; D549-F713 WeakPolarHBondContact OD2-CB 3.16Å; D549-F713 PolarHBondContact OD2-N 2.66Å; L551-F713 HydrophobicContact CD1-CD1 4.23Å; S711-F713 VanDerWaalsContact C-N 3.29Å; S711-F713 PolarHBondContact O-N 3Å; S711-F713 PolarHBondContact OG-N 2.97Å; F713-S716 PolarHBondContact O-N 3.06Å; F713-S716 PolarHBondContact O-OG 2.81Å; F713-S716 VanDerWaalsContact O-OG 3.07Å; F713-H717 AromaticContact CD2-CE1 3.45Å; F713-H717 VanDerWaalsContact CD2-CE1 3.45Å; F713-H717 WeakPolarHBondContact CD2-CE1 3.46Å; F713-H717 AromaticContact CD2-ND1 3.76Å; F713-H717 AromaticContact CD2-NE2 3.71Å; F713-H717 AromaticContact CE2-CD2 3.57Å; F713-H717 AromaticContact CE2-CE1 3.62Å; F713-H717 AromaticContact CE2-CG 3.9Å; F713-H717 AromaticContact CE2-ND1 3.91Å; F713-H717 AromaticContact CE2-NE2 3.39Å; F713-H717 WeakPolarHBondContact CE2-NE2 3.37Å; F713-H717 AromaticContact CZ-CD2 3.9Å; F713-H717 PolarHBondContact O-N 2.94Å; F713-H717 PolarHBondContact O-ND1 2.77Å; F713-T744 HydrophobicContact CE1-CG2 4.19Å; F713-T744 HydrophobicContact CZ-CG2 3.81Å
714	F	98.6	Very high	98.2	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.013	15%	0.153	C	C	.	.	H	α-helix	trans	-60.1	-56.1	-170.8	-170.2	-116.7	0	0	0	112.3	L551 L708 S711 S716 H717 V719 H755 Y768 L769	L551-F714 HydrophobicContact CD1-CB 4.16Å; L708-F714 HydrophobicContact CB-CD1 3.83Å; L708-F714 HydrophobicContact CB-CE1 3.91Å; L708-F714 HydrophobicContact CB-CG 4.3Å; L708-F714 HydrophobicContact CB-CZ 4.45Å; L708-F714 HydrophobicContact CD1-CZ 4.45Å; L708-F714 HydrophobicContact CD2-CB 4.19Å; L708-F714 HydrophobicContact CD2-CD1 3.89Å; L708-F714 HydrophobicContact CD2-CD2 3.37Å; L708-F714 HydrophobicContact CD2-CE1 4.06Å; L708-F714 HydrophobicContact CD2-CE2 3.59Å; L708-F714 HydrophobicContact CD2-CG 3.54Å; L708-F714 HydrophobicContact CD2-CZ 3.93Å; L708-F714 HydrophobicContact CG-CD1 4.45Å; L708-F714 HydrophobicContact CG-CE1 4.44Å; L708-F714 WeakPolarHBondContact O-CD1 3.28Å; S711-F714 PolarHBondContact O-N 2.76Å; S711-F714 PolarHBondContact OG-N 3.11Å; F714-S716 PolarHBondContact O-N 3.48Å; F714-H717 PolarHBondContact O-N 2.96Å; F714-V719 HydrophobicContact CD2-CG2 3.68Å; F714-V719 HydrophobicContact CE2-CB 4.14Å; F714-V719 HydrophobicContact CE2-CG1 4.35Å; F714-V719 HydrophobicContact CE2-CG2 3.65Å; F714-H755 AromaticContact CD1-CD2 3.56Å; F714-H755 AromaticContact CD1-NE2 3.52Å; F714-H755 HydrophobicContact CE1-CB 3.83Å; F714-H755 AromaticContact CE1-CD2 3.15Å; F714-H755 WeakPolarHBondContact CE1-CD2 3.47Å; F714-H755 AromaticContact CE1-CE1 3.87Å; F714-H755 AromaticContact CE1-CG 3.32Å; F714-H755 AromaticContact CE1-ND1 3.79Å; F714-H755 AromaticContact CE1-NE2 3.53Å; F714-H755 AromaticContact CE2-CE1 3.95Å; F714-H755 AromaticContact CE2-ND1 3.92Å; F714-H755 AromaticContact CG-NE2 3.94Å; F714-H755 HydrophobicContact CZ-CB 3.82Å; F714-H755 AromaticContact CZ-CD2 3.72Å; F714-H755 AromaticContact CZ-CE1 3.8Å; F714-H755 AromaticContact CZ-CG 3.4Å; F714-H755 VanDerWaalsContact CZ-CG 3.4Å; F714-H755 AromaticContact CZ-ND1 3.49Å; F714-H755 WeakPolarHBondContact CZ-ND1 3.4Å; F714-H755 AromaticContact CZ-NE2 3.95Å; F714-H755 PolarHBondContact O-CE1 2.94Å; F714-H755 PolarHBondContact O-NE2 3.04Å; F714-H755 VanDerWaalsContact O-NE2 3.16Å; F714-Y768 AromaticContact CE2-CD1 3.86Å; F714-Y768 HydrophobicContact CE2-CD1 3.86Å; F714-Y768 HydrophobicContact CE2-CE1 4.38Å; F714-Y768 AromaticContact CE2-CG 4Å; F714-Y768 HydrophobicContact CE2-CG 4Å; F714-Y768 AromaticContact CZ-CD1 3.67Å; F714-Y768 HydrophobicContact CZ-CD1 3.67Å; F714-Y768 HydrophobicContact CZ-CE1 4.48Å; F714-Y768 AromaticContact CZ-CG 3.96Å; F714-Y768 HydrophobicContact CZ-CG 3.96Å; F714-L769 HydrophobicContact CE1-CD1 3.83Å; F714-L769 HydrophobicContact CE1-CD2 4.24Å; F714-L769 HydrophobicContact CE1-CG 3.71Å; F714-L769 HydrophobicContact CZ-CG 4.05Å
715	R	98.1	Very high	98.2	Very high	108 Å²	108	29.1 Å²	29.1	41%	0.408	16%	0.158	S	C	.	.	H	α-helix	trans	-55	-23.7	-179.4	71.2	-165.6	-76.7	147.9	-2.5	114.4	S711 E752 L753	S711-R715 WeakPolarHBondContact O-CG 3.46Å; S711-R715 PolarHBondContact O-N 3.17Å; R715-E752 IonicContact CZ-OE1 3.07Å; R715-E752 VanDerWaalsContact CZ-OE1 3.22Å; R715-E752 IonicContact CZ-OE2 2.67Å; R715-E752 VanDerWaalsContact NE-CD 3.31Å; R715-E752 IonicContact NE-OE1 3.55Å; R715-E752 PolarHBondContact NE-OE1 2.83Å; R715-E752 IonicContact NE-OE2 3.21Å; R715-E752 IonicContact NH2-OE1 3.32Å; R715-E752 PolarHBondContact NH2-OE1 3.06Å; R715-E752 IonicContact NH2-OE2 3.98Å; R715-E752 PolarHBondContact NH2-OE2 3.12Å; R715-E752 CarbonylContact O-C 3.55Å; R715-E752 WeakPolarHBondContact O-CA 3.01Å; R715-L753 PolarHBondContact O-N 3.38Å
716	S	97.8	Very high	98.2	Very high	38 Å²	38	26.3 Å²	26.3	27%	0.266	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	8.1	-175.7	64.8	0	0	0	0	114.5	P712 F713 F714 P746 L747	P712-S716 WeakPolarHBondContact O-CB 3.43Å; P712-S716 PolarHBondContact O-OG 2.56Å; F713-S716 PolarHBondContact O-N 3.06Å; F713-S716 PolarHBondContact O-OG 2.81Å; F713-S716 VanDerWaalsContact O-OG 3.07Å; F714-S716 PolarHBondContact O-N 3.48Å; S716-P746 WeakPolarHBondContact O-CA 3.29Å; S716-L747 WeakPolarHBondContact O-CG 3.46Å; S716-L747 PolarHBondContact O-N 3.27Å
717	H	98.3	Very high	98.1	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.019	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.6	179.3	-64.4	64.7	0	0	0	111.9	R545 F713 F714 V719 T744 T745 H755	R545-H717 PolarHBondContact NH1-CE1 3.4Å; R545-H717 PolarHBondContact NH1-NE2 2.72Å; F713-H717 AromaticContact CD2-CE1 3.45Å; F713-H717 VanDerWaalsContact CD2-CE1 3.45Å; F713-H717 WeakPolarHBondContact CD2-CE1 3.46Å; F713-H717 AromaticContact CD2-ND1 3.76Å; F713-H717 AromaticContact CD2-NE2 3.71Å; F713-H717 AromaticContact CE2-CD2 3.57Å; F713-H717 AromaticContact CE2-CE1 3.62Å; F713-H717 AromaticContact CE2-CG 3.9Å; F713-H717 AromaticContact CE2-ND1 3.91Å; F713-H717 AromaticContact CE2-NE2 3.39Å; F713-H717 WeakPolarHBondContact CE2-NE2 3.37Å; F713-H717 AromaticContact CZ-CD2 3.9Å; F713-H717 PolarHBondContact O-N 2.94Å; F713-H717 PolarHBondContact O-ND1 2.77Å; F714-H717 PolarHBondContact O-N 2.96Å; H717-V719 HydrophobicContact CB-CG2 4.43Å; H717-V719 VanDerWaalsContact O-CG2 3.27Å; H717-V719 WeakPolarHBondContact O-CG2 3.25Å; H717-V719 PolarHBondContact O-N 3.18Å; H717-T744 HydrophobicContact CB-CG2 3.93Å; H717-T745 CarbonylContact C-O 3.59Å; H717-T745 VanDerWaalsContact CA-O 3.29Å; H717-T745 WeakPolarHBondContact CA-O 3.49Å; H717-H755 PolarHBondContact O-CE1 3.1Å
718	E	97.9	Very high	98.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	111.5	165.1	166.9	174.6	-173.2	0	0	109.1	R592 L595 I720 T744 T745 L747 L753 R764	R592-E718 IonicContact CZ-OE1 3.22Å; R592-E718 VanDerWaalsContact CZ-OE1 3.23Å; R592-E718 IonicContact NH1-OE1 2.82Å; R592-E718 PolarHBondContact NH1-OE1 3.11Å; R592-E718 VanDerWaalsContact NH2-CD 3.31Å; R592-E718 IonicContact NH2-OE1 2.72Å; R592-E718 PolarHBondContact NH2-OE1 2.56Å; L595-E718 VanDerWaalsContact CD2-CD 3.41Å; L595-E718 HydrophobicContact CD2-CG 3.85Å; L595-E718 VanDerWaalsContact CD2-OE1 3.24Å; L595-E718 WeakPolarHBondContact CD2-OE1 3.45Å; E718-I720 HydrophobicContact CG-CB 4.4Å; E718-I720 HydrophobicContact CG-CG1 3.48Å; E718-I720 VanDerWaalsContact CG-CG1 3.48Å; E718-I720 PolarHBondContact O-N 3.06Å; E718-T744 WeakPolarHBondContact O-CA 3.5Å; E718-T745 PolarHBondContact N-O 2.88Å; E718-T745 PolarHBondContact O-N 3.4Å; E718-L747 HydrophobicContact CB-CD2 4.32Å; E718-L753 HydrophobicContact CB-CD1 4.42Å; E718-R764 IonicContact OE2-CZ 2.86Å; E718-R764 IonicContact OE2-NE 2.84Å; E718-R764 PolarHBondContact OE2-NE 2.92Å; E718-R764 IonicContact OE2-NH2 2.68Å; E718-R764 PolarHBondContact OE2-NH2 3.09Å
719	V	98.3	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	56.5	-166.3	-165.9	0	0	0	0	112.7	F714 H717 S722 T744 D766 Y768	F714-V719 HydrophobicContact CD2-CG2 3.68Å; F714-V719 HydrophobicContact CE2-CB 4.14Å; F714-V719 HydrophobicContact CE2-CG1 4.35Å; F714-V719 HydrophobicContact CE2-CG2 3.65Å; H717-V719 HydrophobicContact CB-CG2 4.43Å; H717-V719 VanDerWaalsContact O-CG2 3.27Å; H717-V719 WeakPolarHBondContact O-CG2 3.25Å; H717-V719 PolarHBondContact O-N 3.18Å; V719-S722 PolarHBondContact O-OG 3.14Å; V719-T744 HydrophobicContact CB-CG2 4.5Å; V719-T744 HydrophobicContact CG1-CG2 4.36Å; V719-T744 HydrophobicContact CG2-CG2 4.24Å; V719-D766 WeakPolarHBondContact CA-OD2 3.46Å; V719-D766 WeakPolarHBondContact CB-OD2 3.35Å; V719-D766 PolarHBondContact N-OD2 3.04Å; V719-Y768 HydrophobicContact CB-CD2 4.17Å; V719-Y768 HydrophobicContact CG1-CD2 3.95Å; V719-Y768 HydrophobicContact CG1-CE2 4.01Å
720	I	97.4	Very high	97.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	140.4	-170.8	-67.6	-65.3	0	0	0	114	R592 L595 E718 S722 K743 D766	R592-I720 HydrophobicContact CG-CD1 3.66Å; R592-I720 WeakPolarHBondContact O-CD1 3.5Å; L595-I720 HydrophobicContact CD2-CB 3.89Å; L595-I720 HydrophobicContact CD2-CG1 4.08Å; L595-I720 HydrophobicContact CD2-CG2 4.23Å; L595-I720 HydrophobicContact CG-CG2 4.42Å; E718-I720 HydrophobicContact CG-CB 4.4Å; E718-I720 HydrophobicContact CG-CG1 3.48Å; E718-I720 VanDerWaalsContact CG-CG1 3.48Å; E718-I720 PolarHBondContact O-N 3.06Å; I720-S722 PolarHBondContact O-N 2.94Å; I720-S722 VanDerWaalsContact O-N 3.16Å; I720-K743 HydrophobicContact CG2-CB 4.38Å; I720-K743 HydrophobicContact CG2-CD 4Å; I720-K743 WeakPolarHBondContact O-CB 3.23Å; I720-D766 HydrophobicContact CD1-CB 3.59Å; I720-D766 HydrophobicContact CG1-CB 4.29Å
721	G	94.4	Very high	97.6	Very high	16 Å²	16	25.1 Å²	25.1	17%	0.165	13%	0.13	C	C	.	.	S	Bend	trans	75	-0.5	168	0	0	0	0	0	115.7	K588	K588-G721 PolarHBondContact NZ-O 2.69Å
722	S	97.9	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.			trans	-65.9	173.8	169.9	59.8	0	0	0	0	112.2	K588 M589 V719 I720 I739 D740 Y768	K588-S722 PolarHBondContact NZ-O 3.49Å; M589-S722 PolarHBondContact N-O 3.27Å; V719-S722 PolarHBondContact O-OG 3.14Å; I720-S722 PolarHBondContact O-N 2.94Å; I720-S722 VanDerWaalsContact O-N 3.16Å; S722-I739 CarbonylContact C-O 3.38Å; S722-I739 VanDerWaalsContact CA-O 3.24Å; S722-I739 WeakPolarHBondContact CA-O 3.33Å; S722-I739 WeakPolarHBondContact CB-O 3.47Å; S722-D740 WeakPolarHBondContact CA-O 3.44Å; S722-Y768 WeakPolarHBondContact OG-CE2 3.48Å
723	S	98.5	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.5	174.5	-71.2	0	0	0	0	112	D586 C587 K588 M738 I739	D586-S723 WeakPolarHBondContact OD1-CB 3.36Å; D586-S723 PolarHBondContact OD1-OG 2.9Å; C587-S723 CarbonylContact O-C 3.59Å; C587-S723 WeakPolarHBondContact O-CA 3.32Å; C587-S723 VanDerWaalsContact O-CB 3.27Å; C587-S723 WeakPolarHBondContact O-CB 3.36Å; K588-S723 WeakPolarHBondContact CA-OG 3.14Å; K588-S723 PolarHBondContact NZ-OG 3.31Å; S723-M738 CarbonylContact O-C 3.57Å; S723-M738 WeakPolarHBondContact O-CA 3.44Å; S723-I739 PolarHBondContact N-O 3.19Å; S723-I739 PolarHBondContact O-N 2.89Å
724	L	98.8	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.2	155.9	-70.1	174.9	0	0	0	109	C587 M589 L701 I704 F726 V736 W737 M738 L772 L775	C587-L724 PolarHBondContact N-O 3.37Å; C587-L724 PolarHBondContact O-N 3.25Å; M589-L724 HydrophobicContact CE-CD1 4.05Å; M589-L724 HydrophobicContact CG-CB 4.47Å; M589-L724 HydrophobicContact CG-CD1 4.25Å; M589-L724 HydrophobicContact CG-CG 3.9Å; M589-L724 HydrophobicContact SD-CB 4.37Å; M589-L724 HydrophobicContact SD-CD1 3.75Å; M589-L724 HydrophobicContact SD-CG 3.97Å; L701-L724 HydrophobicContact CD2-CD1 3.97Å; I704-L724 HydrophobicContact CD1-CD2 4.29Å; L724-F726 HydrophobicContact CB-CD2 4.38Å; L724-F726 HydrophobicContact CB-CE2 3.86Å; L724-V736 HydrophobicContact CB-CG1 3.94Å; L724-V736 HydrophobicContact CD2-CG1 4.09Å; L724-V736 HydrophobicContact CG-CG1 4.45Å; L724-W737 CarbonylContact C-O 3.43Å; L724-W737 WeakPolarHBondContact CA-O 3.16Å; L724-M738 HydrophobicContact CD2-CB 4.47Å; L724-M738 HydrophobicContact CD2-CG 3.71Å; L724-L772 HydrophobicContact CD1-CD1 4.04Å; L724-L775 HydrophobicContact CD1-CD1 3.77Å
725	L	98.6	Very high	97.4	Very high	20 Å²	20	31.2 Å²	31.2	11%	0.105	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110	174.9	-167.8	76.6	0	0	0	109.3	L575 V584 D586 V727 V736 W737 I739	L575-L725 HydrophobicContact CD1-CD2 3.85Å; V584-L725 HydrophobicContact CG1-CD1 3.58Å; V584-L725 HydrophobicContact CG1-CD2 4.42Å; V584-L725 HydrophobicContact CG1-CG 4.01Å; D586-L725 HydrophobicContact CB-CD1 4.38Å; L725-V727 HydrophobicContact CD2-CG2 4.07Å; L725-V727 HydrophobicContact CG-CG2 4.16Å; L725-V736 WeakPolarHBondContact O-CA 3.28Å; L725-W737 PolarHBondContact N-O 3.24Å; L725-W737 PolarHBondContact O-N 2.94Å; L725-I739 HydrophobicContact CB-CD1 3.96Å; L725-I739 HydrophobicContact CB-CG1 4.22Å; L725-I739 HydrophobicContact CB-CG2 4.24Å; L725-I739 HydrophobicContact CD1-CD1 4.06Å; L725-I739 HydrophobicContact CD2-CD1 4.5Å; L725-I739 HydrophobicContact CG-CD1 4.4Å
726	F	98.7	Very high	97.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	126.3	174.8	-66.9	-106.8	0	0	0	108.9	V584 M585 C587 F683 F686 Y697 L701 L724 V736 L775 F779	V584-F726 CarbonylContact C-O 3.44Å; V584-F726 VanDerWaalsContact CA-O 3.3Å; V584-F726 WeakPolarHBondContact CA-O 3.19Å; M585-F726 HydrophobicContact CB-CB 4.23Å; M585-F726 PolarHBondContact N-O 3.07Å; M585-F726 PolarHBondContact O-N 2.92Å; C587-F726 HydrophobicContact CB-CD2 4.41Å; C587-F726 HydrophobicContact CB-CE2 3.94Å; F683-F726 HydrophobicContact CE1-CZ 4.43Å; F686-F726 HydrophobicContact CE1-CB 3.92Å; F686-F726 HydrophobicContact CZ-CB 4.22Å; Y697-F726 AromaticContact CD1-CD1 3.78Å; Y697-F726 HydrophobicContact CD1-CD1 3.78Å; Y697-F726 HydrophobicContact CD1-CE1 4.49Å; Y697-F726 HydrophobicContact CD2-CD1 4.3Å; Y697-F726 HydrophobicContact CE1-CB 3.96Å; Y697-F726 AromaticContact CE1-CD1 3.82Å; Y697-F726 HydrophobicContact CE1-CD1 3.82Å; Y697-F726 HydrophobicContact CE1-CG 4.37Å; Y697-F726 HydrophobicContact CE2-CD1 4.32Å; Y697-F726 HydrophobicContact CG-CD1 4.01Å; Y697-F726 HydrophobicContact CG-CE1 4.49Å; L701-F726 HydrophobicContact CD1-CE1 4.09Å; L701-F726 HydrophobicContact CD1-CZ 4.26Å; L701-F726 HydrophobicContact CD2-CE1 4.14Å; L701-F726 HydrophobicContact CD2-CZ 3.89Å; L701-F726 HydrophobicContact CG-CE1 4.37Å; L724-F726 HydrophobicContact CB-CD2 4.38Å; L724-F726 HydrophobicContact CB-CE2 3.86Å; F726-V736 HydrophobicContact CD1-CG1 4.32Å; F726-V736 HydrophobicContact CD1-CG2 3.63Å; F726-V736 HydrophobicContact CD2-CG1 4.23Å; F726-V736 HydrophobicContact CE1-CG1 4.38Å; F726-V736 HydrophobicContact CE1-CG2 3.9Å; F726-V736 HydrophobicContact CE2-CG1 4.28Å; F726-V736 HydrophobicContact CG-CG1 4.25Å; F726-V736 HydrophobicContact CG-CG2 4.18Å; F726-V736 HydrophobicContact CZ-CG1 4.36Å; F726-L775 HydrophobicContact CZ-CD1 4.36Å; F726-L775 HydrophobicContact CZ-CD2 4.43Å; F726-F779 HydrophobicContact CD1-CZ 4.22Å; F726-F779 HydrophobicContact CE1-CE1 4.35Å; F726-F779 HydrophobicContact CE1-CE2 4.03Å; F726-F779 AromaticContact CE1-CZ 3.63Å; F726-F779 HydrophobicContact CE1-CZ 3.63Å; F726-F779 HydrophobicContact CZ-CE2 4.33Å; F726-F779 HydrophobicContact CZ-CZ 4.34Å
727	V	98.1	Very high	97.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.3	177.1	-170.8	0	0	0	0	110	L576 F579 P582 C583 V584 Y697 L725 A734 K735 W737	L576-V727 HydrophobicContact CD2-CB 4.39Å; L576-V727 HydrophobicContact CD2-CG1 3.67Å; L576-V727 HydrophobicContact CD2-CG2 3.71Å; F579-V727 HydrophobicContact CB-CG1 4.39Å; F579-V727 HydrophobicContact CD1-CG1 3.72Å; F579-V727 HydrophobicContact CD2-CG1 3.84Å; F579-V727 HydrophobicContact CE1-CB 4.28Å; F579-V727 HydrophobicContact CE1-CG1 3.87Å; F579-V727 HydrophobicContact CE2-CB 4.45Å; F579-V727 HydrophobicContact CE2-CG1 4.04Å; F579-V727 HydrophobicContact CG-CG1 3.7Å; F579-V727 HydrophobicContact CZ-CB 4.21Å; F579-V727 HydrophobicContact CZ-CG1 4.04Å; P582-V727 HydrophobicContact CB-CG1 3.72Å; C583-V727 WeakPolarHBondContact O-CA 3.29Å; V584-V727 HydrophobicContact CG1-CG2 4.35Å; V584-V727 HydrophobicContact CG2-CG1 4.47Å; Y697-V727 PolarHBondContact OH-N 3.32Å; Y697-V727 PolarHBondContact OH-O 2.99Å; L725-V727 HydrophobicContact CD2-CG2 4.07Å; L725-V727 HydrophobicContact CG-CG2 4.16Å; V727-A734 VanDerWaalsContact O-CA 3.32Å; V727-A734 WeakPolarHBondContact O-CA 3.11Å; V727-K735 PolarHBondContact N-O 3.31Å; V727-K735 PolarHBondContact O-N 3.34Å; V727-W737 HydrophobicContact CB-CZ3 4.01Å; V727-W737 HydrophobicContact CG2-CE3 4.41Å; V727-W737 HydrophobicContact CG2-CZ3 3.76Å
728	H	97.9	Very high	97.5	Very high	9 Å²	9	24.7 Å²	24.7	4%	0.042	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	163.7	170.7	77.2	74.5	0	0	0	113.5	P582 C583 F686 I693 Y697 R733 A734	P582-H728 CarbonylContact C-O 3.49Å; P582-H728 VanDerWaalsContact CA-O 3.3Å; P582-H728 WeakPolarHBondContact CA-O 3.2Å; C583-H728 WeakPolarHBondContact CB-CE1 3.44Å; C583-H728 WeakPolarHBondContact CB-NE2 3.48Å; C583-H728 PolarHBondContact N-O 2.72Å; C583-H728 PolarHBondContact O-N 3.17Å; C583-H728 PolarHBondContact SG-CE1 3.17Å; F686-H728 AromaticContact CE1-CD2 3.86Å; F686-H728 AromaticContact CZ-CD2 3.71Å; F686-H728 PolarHBondContact O-NE2 2.81Å; I693-H728 HydrophobicContact CD1-CB 4.28Å; I693-H728 HydrophobicContact CG2-CB 3.78Å; Y697-H728 HydrophobicContact CE2-CB 4.4Å; Y697-H728 AromaticContact CE2-CD2 3.91Å; Y697-H728 WeakPolarHBondContact OH-CB 3.43Å; Y697-H728 PolarHBondContact OH-CD2 3.42Å; Y697-H728 PolarHBondContact OH-N 3.22Å; H728-R733 CarbonylContact C-O 3.54Å; H728-R733 WeakPolarHBondContact CA-O 3.14Å; H728-R733 WeakPolarHBondContact CB-O 3.45Å; H728-A734 HydrophobicContact CB-CB 4.16Å
729	D	96.1	Very high	97.5	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	12%	0.124	C	C	.	.			trans	-135.7	168.2	171.4	66.9	15.1	0	0	0	113.8	F579 D580 R731 K732 R733	F579-D729 HydrophobicContact CB-CB 4.43Å; F579-D729 HydrophobicContact CD1-CB 4.11Å; D580-D729 PolarHBondContact N-OD2 3.42Å; D580-D729 VanDerWaalsContact O-CB 3.27Å; D580-D729 WeakPolarHBondContact O-CB 3.47Å; D729-R731 PolarHBondContact O-N 2.86Å; D729-R731 VanDerWaalsContact O-N 3.08Å; D729-R731 WeakPolarHBondContact OD1-CA 3.44Å; D729-R731 WeakPolarHBondContact OD1-CB 3.35Å; D729-R731 PolarHBondContact OD1-N 3.05Å; D729-R731 VanDerWaalsContact OD1-N 3.13Å; D729-K732 WeakPolarHBondContact O-CA 3.31Å; D729-K732 PolarHBondContact O-N 2.95Å; D729-K732 PolarHBondContact OD1-N 3.38Å; D729-R733 PolarHBondContact N-O 3.06Å; D729-R733 VanDerWaalsContact N-O 3.08Å; D729-R733 WeakPolarHBondContact OD1-CB 3.23Å; D729-R733 PolarHBondContact OD1-N 2.91Å; D729-R733 IonicContact OD1-NE 2.64Å; D729-R733 IonicContact OD2-CZ 3.61Å; D729-R733 IonicContact OD2-NE 2.8Å; D729-R733 PolarHBondContact OD2-NE 2.66Å; D729-R733 IonicContact OD2-NH2 3.51Å; D729-R733 PolarHBondContact OD2-NH2 3.12Å
730	S	94	Very high	97.4	Very high	75 Å²	75	27.8 Å²	27.8	52%	0.524	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	0.7	176	46.2	0	0	0	0	114.5	E662 K732	E662-S730 WeakPolarHBondContact OE1-CB 3.35Å; E662-S730 PolarHBondContact OE1-OG 3.16Å; S730-K732 VanDerWaalsContact C-N 3.29Å
731	R	95.3	Very high	97.4	Very high	164 Å²	164	27.9 Å²	27.9	62%	0.619	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	12.6	163.9	-59.4	174.7	63.3	-169.8	-2.8	111.8	D580 D729 R733	D580-R731 WeakPolarHBondContact OD2-CD 3.42Å; D580-R731 IonicContact OD2-CZ 3.64Å; D580-R731 IonicContact OD2-NE 2.8Å; D580-R731 IonicContact OD2-NH1 3.17Å; D580-R731 PolarHBondContact OD2-NH1 3.19Å; D729-R731 PolarHBondContact O-N 2.86Å; D729-R731 VanDerWaalsContact O-N 3.08Å; D729-R731 WeakPolarHBondContact OD1-CA 3.44Å; D729-R731 WeakPolarHBondContact OD1-CB 3.35Å; D729-R731 PolarHBondContact OD1-N 3.05Å; D729-R731 VanDerWaalsContact OD1-N 3.13Å; R731-R733 PolarHBondContact O-N 2.67Å
732	K	95.9	Very high	97.5	Very high	63 Å²	63	28.6 Å²	28.6	27%	0.274	14%	0.143	S	C	.	.			trans	56.9	24.9	178.7	-54.2	-173.2	169.8	-135.7	0	114.5	D690 E692 I693 K696 D729 S730	D690-K732 VanDerWaalsContact CG-NZ 3.31Å; D690-K732 IonicContact OD1-NZ 3.74Å; D690-K732 PolarHBondContact OD1-NZ 2.74Å; D690-K732 WeakPolarHBondContact OD2-CE 3.4Å; D690-K732 IonicContact OD2-NZ 2.73Å; D690-K732 PolarHBondContact OD2-NZ 3.45Å; D690-K732 VanDerWaalsContact OD2-NZ 3.07Å; E692-K732 HydrophobicContact CB-CD 4.11Å; E692-K732 HydrophobicContact CG-CD 4.28Å; E692-K732 WeakPolarHBondContact OE2-CD 3.29Å; E692-K732 WeakPolarHBondContact OE2-CE 3.46Å; E692-K732 IonicContact OE2-NZ 2.65Å; E692-K732 PolarHBondContact OE2-NZ 3.17Å; I693-K732 HydrophobicContact CD1-CG 4.45Å; I693-K732 HydrophobicContact CG1-CB 4.15Å; I693-K732 HydrophobicContact CG1-CG 4.36Å; K696-K732 WeakPolarHBondContact CD-O 3.48Å; K696-K732 PolarHBondContact NZ-O 2.69Å; D729-K732 WeakPolarHBondContact O-CA 3.31Å; D729-K732 PolarHBondContact O-N 2.95Å; D729-K732 PolarHBondContact OD1-N 3.38Å; S730-K732 VanDerWaalsContact C-N 3.29Å
733	R	97	Very high	97.4	Very high	70 Å²	70	30.9 Å²	30.9	26%	0.264	15%	0.153	S	C	.	.			trans	-74.4	135.3	164.1	-66	-180	-70.2	-179.6	-7	107	E578 F579 D580 H728 D729 R731	E578-R733 PolarHBondContact O-NH1 3.12Å; E578-R733 PolarHBondContact O-NH2 2.81Å; F579-R733 HydrophobicContact CD1-CB 4.22Å; F579-R733 HydrophobicContact CE1-CB 3.8Å; F579-R733 HydrophobicContact CZ-CB 4.5Å; D580-R733 IonicContact OD1-NH2 2.59Å; D580-R733 IonicContact OD2-NH2 2.8Å; D580-R733 PolarHBondContact OD2-NH2 2.89Å; H728-R733 CarbonylContact C-O 3.54Å; H728-R733 WeakPolarHBondContact CA-O 3.14Å; H728-R733 WeakPolarHBondContact CB-O 3.45Å; D729-R733 PolarHBondContact N-O 3.06Å; D729-R733 VanDerWaalsContact N-O 3.08Å; D729-R733 WeakPolarHBondContact OD1-CB 3.23Å; D729-R733 PolarHBondContact OD1-N 2.91Å; D729-R733 IonicContact OD1-NE 2.64Å; D729-R733 IonicContact OD2-CZ 3.61Å; D729-R733 IonicContact OD2-NE 2.8Å; D729-R733 PolarHBondContact OD2-NE 2.66Å; D729-R733 IonicContact OD2-NH2 3.51Å; D729-R733 PolarHBondContact OD2-NH2 3.12Å; R731-R733 PolarHBondContact O-N 2.67Å
734	A	98.1	Very high	97.3	Very high	16 Å²	16	30.9 Å²	30.9	13%	0.132	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	131.6	177.1	0	0	0	0	0	108.4	I693 K696 Y697 V727 H728	I693-A734 HydrophobicContact CG2-CB 4.1Å; K696-A734 HydrophobicContact CB-CB 3.85Å; K696-A734 HydrophobicContact CD-CB 4.41Å; Y697-A734 HydrophobicContact CD1-CB 4Å; Y697-A734 HydrophobicContact CE1-CB 3.88Å; Y697-A734 HydrophobicContact CG-CB 4.44Å; V727-A734 VanDerWaalsContact O-CA 3.32Å; V727-A734 WeakPolarHBondContact O-CA 3.11Å; H728-A734 HydrophobicContact CB-CB 4.16Å
735	K	98.1	Very high	97.2	Very high	71 Å²	71	32 Å²	32	31%	0.309	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	153.6	178.4	-71.4	-178	176.9	174	0	109.9	E578 F579 V727 W737	E578-K735 IonicContact OE1-NZ 3.92Å; E578-K735 PolarHBondContact OE1-NZ 2.78Å; E578-K735 IonicContact OE2-NZ 2.7Å; E578-K735 PolarHBondContact OE2-NZ 2.85Å; F579-K735 HydrophobicContact CE2-CD 4.37Å; F579-K735 HydrophobicContact CZ-CB 4.05Å; F579-K735 HydrophobicContact CZ-CD 4.05Å; F579-K735 HydrophobicContact CZ-CG 4.07Å; V727-K735 PolarHBondContact N-O 3.31Å; V727-K735 PolarHBondContact O-N 3.34Å; K735-W737 HydrophobicContact CB-CE3 4.02Å; K735-W737 HydrophobicContact CB-CH2 3.35Å; K735-W737 HydrophobicContact CB-CZ2 3.88Å; K735-W737 HydrophobicContact CB-CZ3 3.4Å; K735-W737 VanDerWaalsContact CB-CZ3 3.4Å; K735-W737 HydrophobicContact CD-CH2 3.48Å; K735-W737 VanDerWaalsContact CD-CH2 3.48Å; K735-W737 HydrophobicContact CD-CZ2 3.43Å; K735-W737 VanDerWaalsContact CD-CZ2 3.43Å; K735-W737 HydrophobicContact CD-CZ3 4.41Å; K735-W737 HydrophobicContact CG-CH2 4.04Å; K735-W737 HydrophobicContact CG-CZ2 4.3Å
736	V	98.8	Very high	97.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141	173.8	-164.4	0	0	0	0	109.1	Y697 R700 L701 I704 L724 L725 F726	Y697-V736 HydrophobicContact CD1-CG2 3.5Å; Y697-V736 HydrophobicContact CE1-CG2 3.92Å; R700-V736 HydrophobicContact CB-CG2 4.34Å; R700-V736 HydrophobicContact CG-CB 3.81Å; R700-V736 HydrophobicContact CG-CG2 3.88Å; R700-V736 PolarHBondContact NE-O 3.33Å; R700-V736 PolarHBondContact NH2-O 2.76Å; L701-V736 HydrophobicContact CD2-CG1 4.5Å; I704-V736 HydrophobicContact CD1-CB 3.85Å; I704-V736 HydrophobicContact CD1-CG1 4.05Å; L724-V736 HydrophobicContact CB-CG1 3.94Å; L724-V736 HydrophobicContact CD2-CG1 4.09Å; L724-V736 HydrophobicContact CG-CG1 4.45Å; L725-V736 WeakPolarHBondContact O-CA 3.28Å; F726-V736 HydrophobicContact CD1-CG1 4.32Å; F726-V736 HydrophobicContact CD1-CG2 3.63Å; F726-V736 HydrophobicContact CD2-CG1 4.23Å; F726-V736 HydrophobicContact CE1-CG1 4.38Å; F726-V736 HydrophobicContact CE1-CG2 3.9Å; F726-V736 HydrophobicContact CE2-CG1 4.28Å; F726-V736 HydrophobicContact CG-CG1 4.25Å; F726-V736 HydrophobicContact CG-CG2 4.18Å; F726-V736 HydrophobicContact CZ-CG1 4.36Å
737	W	98.8	Very high	97.1	Very high	13 Å²	13	35 Å²	35	5%	0.049	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	154.6	174.3	-59.9	-104.6	0	0	0	111.4	Y554 L575 F579 L724 L725 V727 K735	Y554-W737 CarbonylContact O-C 3.16Å; Y554-W737 WeakPolarHBondContact O-CA 3.47Å; Y554-W737 WeakPolarHBondContact O-CB 3.42Å; L575-W737 HydrophobicContact CB-CE3 4.38Å; L575-W737 HydrophobicContact CB-CH2 4.11Å; L575-W737 HydrophobicContact CB-CZ2 4.34Å; L575-W737 HydrophobicContact CB-CZ3 4.17Å; L575-W737 HydrophobicContact CD1-CB 3.86Å; L575-W737 HydrophobicContact CD1-CD2 3.77Å; L575-W737 HydrophobicContact CD1-CE3 3.86Å; L575-W737 HydrophobicContact CD1-CG 3.83Å; L575-W737 HydrophobicContact CD1-CZ3 4.45Å; L575-W737 HydrophobicContact CD2-CD2 3.9Å; L575-W737 HydrophobicContact CD2-CG 4.03Å; L575-W737 HydrophobicContact CD2-CZ2 3.97Å; L575-W737 HydrophobicContact CG-CD2 4.29Å; L575-W737 HydrophobicContact CG-CE3 4.5Å; F579-W737 AromaticContact CE2-CH2 3.85Å; F579-W737 HydrophobicContact CE2-CH2 3.85Å; F579-W737 HydrophobicContact CZ-CH2 4.15Å; L724-W737 CarbonylContact C-O 3.43Å; L724-W737 WeakPolarHBondContact CA-O 3.16Å; L725-W737 PolarHBondContact N-O 3.24Å; L725-W737 PolarHBondContact O-N 2.94Å; V727-W737 HydrophobicContact CB-CZ3 4.01Å; V727-W737 HydrophobicContact CG2-CE3 4.41Å; V727-W737 HydrophobicContact CG2-CZ3 3.76Å; K735-W737 HydrophobicContact CB-CE3 4.02Å; K735-W737 HydrophobicContact CB-CH2 3.35Å; K735-W737 HydrophobicContact CB-CZ2 3.88Å; K735-W737 HydrophobicContact CB-CZ3 3.4Å; K735-W737 VanDerWaalsContact CB-CZ3 3.4Å; K735-W737 HydrophobicContact CD-CH2 3.48Å; K735-W737 VanDerWaalsContact CD-CH2 3.48Å; K735-W737 HydrophobicContact CD-CZ2 3.43Å; K735-W737 VanDerWaalsContact CD-CZ2 3.43Å; K735-W737 HydrophobicContact CD-CZ3 4.41Å; K735-W737 HydrophobicContact CG-CH2 4.04Å; K735-W737 HydrophobicContact CG-CZ2 4.3Å
738	M	98.8	Very high	96.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	133.9	168.1	-52	164	71.3	0	0	109.9	L551 Y554 V555 P556 L708 S723 L724 F741 Y768	L551-M738 HydrophobicContact CD1-SD 4.36Å; L551-M738 HydrophobicContact CD2-SD 4.08Å; Y554-M738 PolarHBondContact O-N 3.07Å; V555-M738 HydrophobicContact CG1-CB 4.27Å; P556-M738 WeakPolarHBondContact CD-O 3.21Å; L708-M738 HydrophobicContact CD2-CE 3.61Å; L708-M738 HydrophobicContact CD2-SD 3.81Å; S723-M738 CarbonylContact O-C 3.57Å; S723-M738 WeakPolarHBondContact O-CA 3.44Å; L724-M738 HydrophobicContact CD2-CB 4.47Å; L724-M738 HydrophobicContact CD2-CG 3.71Å; M738-F741 HydrophobicContact CB-CE1 4.22Å; M738-F741 HydrophobicContact CB-CZ 3.78Å; M738-F741 HydrophobicContact CE-CE1 4.4Å; M738-Y768 HydrophobicContact CE-CE1 4.22Å; M738-Y768 HydrophobicContact CE-CE2 4.39Å
739	I	97.8	Very high	96.6	Very high	22 Å²	22	45.9 Å²	45.9	11%	0.113	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	172.3	-179.4	63.2	161.5	0	0	0	111.8	P556 L575 S722 S723 L725	P556-I739 HydrophobicContact CG-CG2 4.03Å; L575-I739 HydrophobicContact CD1-CG2 4.06Å; S722-I739 CarbonylContact C-O 3.38Å; S722-I739 VanDerWaalsContact CA-O 3.24Å; S722-I739 WeakPolarHBondContact CA-O 3.33Å; S722-I739 WeakPolarHBondContact CB-O 3.47Å; S723-I739 PolarHBondContact N-O 3.19Å; S723-I739 PolarHBondContact O-N 2.89Å; L725-I739 HydrophobicContact CB-CD1 3.96Å; L725-I739 HydrophobicContact CB-CG1 4.22Å; L725-I739 HydrophobicContact CB-CG2 4.24Å; L725-I739 HydrophobicContact CD1-CD1 4.06Å; L725-I739 HydrophobicContact CD2-CD1 4.5Å; L725-I739 HydrophobicContact CG-CD1 4.4Å
740	D	96.3	Very high	96.3	Very high	44 Å²	44	49.6 Å²	49.6	24%	0.235	28%	0.28	C	S	.	.			trans	65	49.9	169.4	-86.7	39	0	0	0	115.9	K533 E539 S722 G742	K533-D740 IonicContact NZ-OD1 2.88Å; K533-D740 PolarHBondContact NZ-OD1 3.37Å; K533-D740 IonicContact NZ-OD2 2.76Å; K533-D740 PolarHBondContact NZ-OD2 3.28Å; E539-D740 WeakPolarHBondContact OE1-CA 3.49Å; S722-D740 WeakPolarHBondContact CA-O 3.44Å; D740-G742 PolarHBondContact O-N 3.27Å
741	F	97.5	Very high	96.3	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	20.7	175.7	-50.5	-76.1	0	0	0	114.5	E539 C542 L543 L546 V555 M738 K743 T744	E539-F741 HydrophobicContact CG-CB 4.28Å; E539-F741 PolarHBondContact OE1-N 3.01Å; C542-F741 HydrophobicContact CB-CB 3.71Å; C542-F741 HydrophobicContact CB-CG 4.24Å; L543-F741 HydrophobicContact CD2-CD2 3.94Å; L543-F741 HydrophobicContact CD2-CE2 4.1Å; L543-F741 HydrophobicContact CG-CD2 4.38Å; L546-F741 HydrophobicContact CD1-CD1 4.01Å; L546-F741 HydrophobicContact CD1-CD2 3.9Å; L546-F741 HydrophobicContact CD1-CE1 3.77Å; L546-F741 HydrophobicContact CD1-CE2 3.66Å; L546-F741 HydrophobicContact CD1-CG 4.08Å; L546-F741 HydrophobicContact CD1-CZ 3.58Å; V555-F741 HydrophobicContact CB-CE2 4.43Å; V555-F741 HydrophobicContact CB-CZ 4.45Å; V555-F741 HydrophobicContact CG1-CE2 4.19Å; V555-F741 HydrophobicContact CG1-CZ 3.75Å; M738-F741 HydrophobicContact CB-CE1 4.22Å; M738-F741 HydrophobicContact CB-CZ 3.78Å; M738-F741 HydrophobicContact CE-CE1 4.4Å; F741-K743 PolarHBondContact O-N 3.45Å; F741-K743 VanDerWaalsContact O-N 3.15Å; F741-T744 WeakPolarHBondContact CA-OG1 3.41Å; F741-T744 PolarHBondContact O-N 2.91Å
742	G	95.7	Very high	96.5	Very high	32 Å²	32	48.5 Å²	48.5	33%	0.33	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-11	-175.5	0	0	0	0	0	115.7	D740	D740-G742 PolarHBondContact O-N 3.27Å
743	K	95.9	Very high	96.6	Very high	48 Å²	48	46.4 Å²	46.4	21%	0.209	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	17.7	166.8	-55.8	-176.8	-177.6	-172.9	0	112.5	T593 L595 E598 I720 F741 T745	T593-K743 PolarHBondContact O-NZ 2.91Å; L595-K743 HydrophobicContact CD1-CB 4.18Å; L595-K743 WeakPolarHBondContact CD2-O 3.3Å; L595-K743 HydrophobicContact CG-CB 4.27Å; L595-K743 HydrophobicContact CG-CD 4.43Å; E598-K743 IonicContact OE2-NZ 2.71Å; E598-K743 PolarHBondContact OE2-NZ 3.47Å; I720-K743 HydrophobicContact CG2-CB 4.38Å; I720-K743 HydrophobicContact CG2-CD 4Å; I720-K743 WeakPolarHBondContact O-CB 3.23Å; F741-K743 PolarHBondContact O-N 3.45Å; F741-K743 VanDerWaalsContact O-N 3.15Å; K743-T745 PolarHBondContact O-N 3.21Å
744	T	97.9	Very high	96.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	119	176	-59.8	0	0	0	0	108.7	C538 C542 F713 H717 E718 V719 F741	C538-T744 PolarHBondContact SG-O 2.79Å; C542-T744 PolarHBondContact SG-O 2.98Å; F713-T744 HydrophobicContact CE1-CG2 4.19Å; F713-T744 HydrophobicContact CZ-CG2 3.81Å; H717-T744 HydrophobicContact CB-CG2 3.93Å; E718-T744 WeakPolarHBondContact O-CA 3.5Å; V719-T744 HydrophobicContact CB-CG2 4.5Å; V719-T744 HydrophobicContact CG1-CG2 4.36Å; V719-T744 HydrophobicContact CG2-CG2 4.24Å; F741-T744 WeakPolarHBondContact CA-OG1 3.41Å; F741-T744 PolarHBondContact O-N 2.91Å
745	T	97	Very high	96.6	Very high	23 Å²	23	46.2 Å²	46.2	14%	0.141	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.9	-171.2	44.9	0	0	0	0	111.3	L595 H717 E718 K743	L595-T745 HydrophobicContact CD1-CG2 4.09Å; L595-T745 HydrophobicContact CD2-CG2 4.38Å; H717-T745 CarbonylContact C-O 3.59Å; H717-T745 VanDerWaalsContact CA-O 3.29Å; H717-T745 WeakPolarHBondContact CA-O 3.49Å; E718-T745 PolarHBondContact N-O 2.88Å; E718-T745 PolarHBondContact O-N 3.4Å; K743-T745 PolarHBondContact O-N 3.21Å
746	P	97.2	Very high	96.6	Very high	67 Å²	67	47.3 Å²	47.3	44%	0.435	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	147.1	174	28.7	-34.8	0	0	0	111.1	S716	S716-P746 WeakPolarHBondContact O-CA 3.29Å
747	L	96.5	Very high	96.6	Very high	17 Å²	17	49.5 Å²	49.5	9%	0.089	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-74.9	166.9	169	-56.4	170.6	0	0	0	110.3	S716 E718 E751 L753 R764	S716-L747 WeakPolarHBondContact O-CG 3.46Å; S716-L747 PolarHBondContact O-N 3.27Å; E718-L747 HydrophobicContact CB-CD2 4.32Å; L747-E751 HydrophobicContact CB-CB 4.04Å; L747-E751 WeakPolarHBondContact CD1-O 3.28Å; L747-L753 HydrophobicContact CD1-CD1 4.37Å; L747-L753 HydrophobicContact CD1-CG 3.81Å; L747-L753 HydrophobicContact CD2-CD1 4.21Å; L747-L753 HydrophobicContact CD2-CG 4.25Å; L747-R764 HydrophobicContact CD2-CB 4.34Å
748	P	94.6	Very high	96.5	Very high	59 Å²	59	53.8 Å²	53.8	38%	0.383	32%	0.322	S	S	.	.	S	Bend	trans	-55.7	154.9	164	-24.9	36.6	0	0	0	112.7	G750 E751	P748-G750 PolarHBondContact O-N 3.13Å; P748-G750 VanDerWaalsContact O-N 3.08Å; P748-E751 HydrophobicContact CB-CG 4.25Å; P748-E751 WeakPolarHBondContact CB-OE1 3.28Å; P748-E751 VanDerWaalsContact CD-OE2 3.25Å; P748-E751 WeakPolarHBondContact CD-OE2 3.46Å; P748-E751 WeakPolarHBondContact CG-OE1 3.48Å; P748-E751 WeakPolarHBondContact CG-OE2 3.27Å; P748-E751 PolarHBondContact O-N 3.19Å
749	D	91.1	Very high	96.4	Very high	178 Å²	178	56.9 Å²	56.9	95%	0.952	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	112.3	-175.3	-66.3	-47.7	0	0	0	111.8
750	G	90.2	Very high	96.2	Very high	79 Å²	79	60.3 Å²	60.3	81%	0.814	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.1	-2.7	-179.5	0	0	0	0	0	115.3	P748	P748-G750 PolarHBondContact O-N 3.13Å; P748-G750 VanDerWaalsContact O-N 3.08Å
751	E	95.1	Very high	96	Very high	102 Å²	102	62 Å²	62	48%	0.477	36%	0.362	S	S	.	.			trans	-83.2	146	167.1	-74.3	176.8	-147.5	0	0	111	L747 P748	L747-E751 HydrophobicContact CB-CB 4.04Å; L747-E751 WeakPolarHBondContact CD1-O 3.28Å; P748-E751 HydrophobicContact CB-CG 4.25Å; P748-E751 WeakPolarHBondContact CB-OE1 3.28Å; P748-E751 VanDerWaalsContact CD-OE2 3.25Å; P748-E751 WeakPolarHBondContact CD-OE2 3.46Å; P748-E751 WeakPolarHBondContact CG-OE1 3.48Å; P748-E751 WeakPolarHBondContact CG-OE2 3.27Å; P748-E751 PolarHBondContact O-N 3.19Å
752	E	97.5	Very high	95.8	Very high	114 Å²	114	64.8 Å²	64.8	53%	0.533	39%	0.391	S	S	.	.			trans	-142.7	151.3	-177.3	-56.4	-170	143.3	0	0	111.4	R715	R715-E752 IonicContact CZ-OE1 3.07Å; R715-E752 VanDerWaalsContact CZ-OE1 3.22Å; R715-E752 IonicContact CZ-OE2 2.67Å; R715-E752 VanDerWaalsContact NE-CD 3.31Å; R715-E752 IonicContact NE-OE1 3.55Å; R715-E752 PolarHBondContact NE-OE1 2.83Å; R715-E752 IonicContact NE-OE2 3.21Å; R715-E752 IonicContact NH2-OE1 3.32Å; R715-E752 PolarHBondContact NH2-OE1 3.06Å; R715-E752 IonicContact NH2-OE2 3.98Å; R715-E752 PolarHBondContact NH2-OE2 3.12Å; R715-E752 CarbonylContact O-C 3.55Å; R715-E752 WeakPolarHBondContact O-CA 3.01Å
753	L	98.1	Very high	95.8	Very high	19 Å²	19	66 Å²	66	10%	0.099	39%	0.39	C	S	.	.			trans	-109.8	151.1	175.4	-67.9	178.3	0	0	0	112.2	R715 E718 L747 H755 N763 R764 E765	R715-L753 PolarHBondContact O-N 3.38Å; E718-L753 HydrophobicContact CB-CD1 4.42Å; L747-L753 HydrophobicContact CD1-CD1 4.37Å; L747-L753 HydrophobicContact CD1-CG 3.81Å; L747-L753 HydrophobicContact CD2-CD1 4.21Å; L747-L753 HydrophobicContact CD2-CG 4.25Å; L753-H755 PolarHBondContact O-CD2 3.34Å; L753-N763 WeakPolarHBondContact CD2-O 3.49Å; L753-R764 WeakPolarHBondContact CD1-O 3.48Å; L753-R764 HydrophobicContact CD2-CB 4.28Å; L753-E765 HydrophobicContact CD2-CG 4.04Å
754	T	98	Very high	95.8	Very high	78 Å²	78	65.5 Å²	65.5	48%	0.479	39%	0.387	S	S	.	.			trans	-86.7	-21.9	169.9	72.9	0	0	0	0	112.2	R756 A757 E765	T754-R756 PolarHBondContact O-N 3.34Å; T754-R756 VanDerWaalsContact O-N 3.1Å; T754-R756 PolarHBondContact OG1-N 3.15Å; T754-A757 WeakPolarHBondContact OG1-CB 3.3Å; T754-A757 PolarHBondContact OG1-N 2.75Å; T754-E765 WeakPolarHBondContact CA-OE1 3.4Å; T754-E765 VanDerWaalsContact CB-OE1 3.29Å; T754-E765 WeakPolarHBondContact CB-OE1 3.41Å; T754-E765 PolarHBondContact N-OE1 2.9Å; T754-E765 PolarHBondContact OG1-OE1 3.27Å
755	H	98.6	Very high	95.8	Very high	4 Å²	4	66 Å²	66	2%	0.019	39%	0.39	C	S	.	.	S	Bend	trans	57.8	15.3	-172.2	-49.1	-91.1	0	0	0	113.8	F714 H717 L753 E765 D766 G767 Y768 L769 Y770	F714-H755 AromaticContact CD1-CD2 3.56Å; F714-H755 AromaticContact CD1-NE2 3.52Å; F714-H755 HydrophobicContact CE1-CB 3.83Å; F714-H755 AromaticContact CE1-CD2 3.15Å; F714-H755 WeakPolarHBondContact CE1-CD2 3.47Å; F714-H755 AromaticContact CE1-CE1 3.87Å; F714-H755 AromaticContact CE1-CG 3.32Å; F714-H755 AromaticContact CE1-ND1 3.79Å; F714-H755 AromaticContact CE1-NE2 3.53Å; F714-H755 AromaticContact CE2-CE1 3.95Å; F714-H755 AromaticContact CE2-ND1 3.92Å; F714-H755 AromaticContact CG-NE2 3.94Å; F714-H755 HydrophobicContact CZ-CB 3.82Å; F714-H755 AromaticContact CZ-CD2 3.72Å; F714-H755 AromaticContact CZ-CE1 3.8Å; F714-H755 AromaticContact CZ-CG 3.4Å; F714-H755 VanDerWaalsContact CZ-CG 3.4Å; F714-H755 AromaticContact CZ-ND1 3.49Å; F714-H755 WeakPolarHBondContact CZ-ND1 3.4Å; F714-H755 AromaticContact CZ-NE2 3.95Å; F714-H755 PolarHBondContact O-CE1 2.94Å; F714-H755 PolarHBondContact O-NE2 3.04Å; F714-H755 VanDerWaalsContact O-NE2 3.16Å; H717-H755 PolarHBondContact O-CE1 3.1Å; L753-H755 PolarHBondContact O-CD2 3.34Å; H755-E765 WeakPolarHBondContact CA-OE2 3.45Å; H755-E765 PolarHBondContact N-OE1 2.99Å; H755-E765 PolarHBondContact N-OE2 2.88Å; H755-D766 WeakPolarHBondContact CB-OD1 3.46Å; H755-D766 IonicContact CE1-OD2 2.56Å; H755-D766 IonicContact CG-OD1 3.02Å; H755-D766 VanDerWaalsContact ND1-CG 3.32Å; H755-D766 IonicContact ND1-OD1 2.82Å; H755-D766 PolarHBondContact ND1-OD1 2.97Å; H755-D766 IonicContact ND1-OD2 3.35Å; H755-D766 PolarHBondContact ND1-OD2 3.24Å; H755-G767 CarbonylContact O-C 3.58Å; H755-G767 VanDerWaalsContact O-CA 3.29Å; H755-G767 WeakPolarHBondContact O-CA 3.21Å; H755-Y768 PolarHBondContact O-N 3.21Å; H755-L769 HydrophobicContact CB-CB 3.96Å; H755-L769 HydrophobicContact CB-CD1 4.17Å; H755-L769 HydrophobicContact CB-CG 3.92Å; H755-L769 WeakPolarHBondContact O-CA 3.47Å; H755-L769 WeakPolarHBondContact O-CB 3.37Å; H755-L769 PolarHBondContact O-N 3.42Å; H755-Y770 PolarHBondContact O-N 2.89Å; H755-Y770 VanDerWaalsContact O-N 3.14Å
756	R	98.3	Very high	95.8	Very high	93 Å²	93	65 Å²	65	35%	0.351	38%	0.383	S	S	.	.	S	Bend	trans	-131.2	-34.6	-176.2	-71.7	-171.4	164.4	114.7	-3.6	113.5	E709 T754 L769 D773	E709-R756 IonicContact OE1-CZ 3.97Å; E709-R756 IonicContact OE1-NH1 3.14Å; E709-R756 PolarHBondContact OE1-NH1 3.07Å; E709-R756 IonicContact OE1-NH2 2.72Å; E709-R756 PolarHBondContact OE1-NH2 3.42Å; T754-R756 PolarHBondContact O-N 3.34Å; T754-R756 VanDerWaalsContact O-N 3.1Å; T754-R756 PolarHBondContact OG1-N 3.15Å; R756-L769 HydrophobicContact CG-CB 3.61Å; R756-D773 IonicContact CZ-OD2 3.82Å; R756-D773 VanDerWaalsContact CZ-OD2 3.22Å; R756-D773 IonicContact NE-OD2 2.69Å; R756-D773 PolarHBondContact NE-OD2 2.92Å; R756-D773 IonicContact NH2-OD1 2.65Å; R756-D773 PolarHBondContact NH2-OD1 3.29Å; R756-D773 VanDerWaalsContact NH2-OD1 3.12Å; R756-D773 IonicContact NH2-OD2 3.38Å; R756-D773 PolarHBondContact NH2-OD2 3.08Å
757	A	97.4	Very high	95.9	Very high	47 Å²	47	61.8 Å²	61.8	39%	0.388	36%	0.363	S	S	.	.	S	Bend	trans	-63.3	148	176.7	0	0	0	0	0	111.1	T754 W759 E765	T754-A757 WeakPolarHBondContact OG1-CB 3.3Å; T754-A757 PolarHBondContact OG1-N 2.75Å; A757-W759 PolarHBondContact O-N 3.24Å; A757-E765 HydrophobicContact CB-CG 4.11Å
758	S	96.7	Very high	96	Very high	102 Å²	102	61 Å²	61	71%	0.713	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-58	132.9	179.8	-56.4	0	0	0	0	111.3	V760 N763	S758-V760 PolarHBondContact O-N 3.23Å; S758-N763 PolarHBondContact O-ND2 3.2Å
759	W	96.4	Very high	96.2	Very high	66 Å²	66	58.4 Å²	58.4	25%	0.25	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-65.9	132.2	174.3	175.1	63.6	0	0	0	111.6	V591 R592 Y594 E596 L599 A757 E761 E765	V591-W759 HydrophobicContact CG2-CB 4.16Å; R592-W759 VanDerWaalsContact NE-CD1 3.28Å; Y594-W759 HydrophobicContact CE2-CH2 4.31Å; E596-W759 PolarHBondContact OE1-NE1 2.65Å; L599-W759 HydrophobicContact CD1-CH2 3.75Å; L599-W759 HydrophobicContact CD1-CZ2 3.85Å; A757-W759 PolarHBondContact O-N 3.24Å; W759-E761 HydrophobicContact CH2-CB 4.4Å; W759-E761 HydrophobicContact CZ2-CB 3.96Å; W759-E765 WeakPolarHBondContact CB-O 3.43Å
760	V	94.6	Very high	96.5	Very high	94 Å²	94	54.7 Å²	54.7	57%	0.57	32%	0.315	S	S	*	.			trans	-138.5	133.8	172.2	-178.1	0	0	0	0	106.8	S758 G762 N763	S758-V760 PolarHBondContact O-N 3.23Å; V760-G762 PolarHBondContact O-N 2.94Å; V760-N763 PolarHBondContact N-ND2 3.43Å; V760-N763 PolarHBondContact N-OD1 3.31Å; V760-N763 PolarHBondContact O-N 3.03Å; V760-N763 PolarHBondContact O-OD1 3.4Å
761	E	92.3	Very high	96.9	Very high	78 Å²	78	50.9 Å²	50.9	36%	0.364	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	116.4	-175.6	-173.8	-179.9	-169.2	0	0	111.9	R603 W759	R603-E761 IonicContact CZ-OE1 3.11Å; R603-E761 IonicContact CZ-OE2 3.17Å; R603-E761 IonicContact NH1-OE1 2.74Å; R603-E761 PolarHBondContact NH1-OE1 3.4Å; R603-E761 IonicContact NH1-OE2 2.67Å; R603-E761 PolarHBondContact NH1-OE2 3.36Å; R603-E761 IonicContact NH2-OE1 2.69Å; R603-E761 IonicContact NH2-OE2 3.32Å; R603-E761 PolarHBondContact NH2-OE2 3.28Å; W759-E761 HydrophobicContact CH2-CB 4.4Å; W759-E761 HydrophobicContact CZ2-CB 3.96Å
762	G	92.9	Very high	97.1	Very high	60 Å²	60	46 Å²	46	62%	0.619	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.2	-14.2	-175	0	0	0	0	0	114.3	E596 V760	E596-G762 VanDerWaalsContact CD-N 3.3Å; E596-G762 PolarHBondContact OE1-N 3.14Å; E596-G762 VanDerWaalsContact OE2-CA 3.32Å; E596-G762 WeakPolarHBondContact OE2-CA 3.27Å; E596-G762 PolarHBondContact OE2-N 2.85Å; V760-G762 PolarHBondContact O-N 2.94Å
763	N	95.4	Very high	97.2	Very high	59 Å²	59	42 Å²	42	32%	0.316	24%	0.235	S	C	.	.	S	Bend	trans	-91.9	-11.1	174.5	86	-5.2	0	0	0	113.8	L753 S758 V760 E765	L753-N763 WeakPolarHBondContact CD2-O 3.49Å; S758-N763 PolarHBondContact O-ND2 3.2Å; V760-N763 PolarHBondContact N-ND2 3.43Å; V760-N763 PolarHBondContact N-OD1 3.31Å; V760-N763 PolarHBondContact O-N 3.03Å; V760-N763 PolarHBondContact O-OD1 3.4Å; N763-E765 PolarHBondContact O-N 3.48Å; N763-E765 WeakPolarHBondContact OD1-CB 3.37Å; N763-E765 PolarHBondContact OD1-N 3.39Å
764	R	96.3	Very high	97.2	Very high	37 Å²	37	41.7 Å²	41.7	14%	0.14	24%	0.235	C	C	.	.			trans	55.7	8.5	178.9	-50.9	-174.4	74.1	145.4	14.8	116.3	R592 E596 E597 E718 L747 L753 D766	R592-R764 VanDerWaalsContact NH2-C 3.27Å; R592-R764 PolarHBondContact NH2-O 3.21Å; E596-R764 PolarHBondContact OE1-N 3.47Å; E596-R764 VanDerWaalsContact OE1-N 3.11Å; E597-R764 IonicContact OE1-CZ 2.78Å; E597-R764 IonicContact OE1-NH1 2.91Å; E597-R764 IonicContact OE1-NH2 3.14Å; E597-R764 PolarHBondContact OE1-NH2 3.14Å; E718-R764 IonicContact OE2-CZ 2.86Å; E718-R764 IonicContact OE2-NE 2.84Å; E718-R764 PolarHBondContact OE2-NE 2.92Å; E718-R764 IonicContact OE2-NH2 2.68Å; E718-R764 PolarHBondContact OE2-NH2 3.09Å; L747-R764 HydrophobicContact CD2-CB 4.34Å; L753-R764 WeakPolarHBondContact CD1-O 3.48Å; L753-R764 HydrophobicContact CD2-CB 4.28Å; R764-D766 PolarHBondContact O-N 2.86Å
765	E	97.9	Very high	97.2	Very high	11 Å²	11	38 Å²	38	5%	0.051	21%	0.212	C	C	.	.			trans	-59.1	133.7	177.6	-80.8	-72.5	-172.3	0	0	111.3	R592 L753 T754 H755 A757 W759 N763	R592-E765 PolarHBondContact NE-O 3.45Å; R592-E765 PolarHBondContact NH2-O 2.91Å; L753-E765 HydrophobicContact CD2-CG 4.04Å; T754-E765 WeakPolarHBondContact CA-OE1 3.4Å; T754-E765 VanDerWaalsContact CB-OE1 3.29Å; T754-E765 WeakPolarHBondContact CB-OE1 3.41Å; T754-E765 PolarHBondContact N-OE1 2.9Å; T754-E765 PolarHBondContact OG1-OE1 3.27Å; H755-E765 WeakPolarHBondContact CA-OE2 3.45Å; H755-E765 PolarHBondContact N-OE1 2.99Å; H755-E765 PolarHBondContact N-OE2 2.88Å; A757-E765 HydrophobicContact CB-CG 4.11Å; W759-E765 WeakPolarHBondContact CB-O 3.43Å; N763-E765 PolarHBondContact O-N 3.48Å; N763-E765 WeakPolarHBondContact OD1-CB 3.37Å; N763-E765 PolarHBondContact OD1-N 3.39Å
766	D	97.6	Very high	97.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.212	C	C	.	.			trans	-100.3	-16.1	-178.2	58.1	28.9	0	0	0	113.2	G590 V591 V719 I720 H755 R764 Y768	G590-D766 CarbonylContact C-O 3.51Å; G590-D766 WeakPolarHBondContact CA-O 3.45Å; V591-D766 PolarHBondContact N-O 3.44Å; V719-D766 WeakPolarHBondContact CA-OD2 3.46Å; V719-D766 WeakPolarHBondContact CB-OD2 3.35Å; V719-D766 PolarHBondContact N-OD2 3.04Å; I720-D766 HydrophobicContact CD1-CB 3.59Å; I720-D766 HydrophobicContact CG1-CB 4.29Å; H755-D766 WeakPolarHBondContact CB-OD1 3.46Å; H755-D766 IonicContact CE1-OD2 2.56Å; H755-D766 IonicContact CG-OD1 3.02Å; H755-D766 VanDerWaalsContact ND1-CG 3.32Å; H755-D766 IonicContact ND1-OD1 2.82Å; H755-D766 PolarHBondContact ND1-OD1 2.97Å; H755-D766 IonicContact ND1-OD2 3.35Å; H755-D766 PolarHBondContact ND1-OD2 3.24Å; R764-D766 PolarHBondContact O-N 2.86Å; D766-Y768 PolarHBondContact O-N 2.96Å; D766-Y768 WeakPolarHBondContact OD1-CB 3.44Å; D766-Y768 PolarHBondContact OD1-N 3.09Å
767	G	98.1	Very high	97.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	22%	0.216	C	C	.	.			trans	63.5	23	-175.4	0	0	0	0	0	113.8	H755 Y770 G771	H755-G767 CarbonylContact O-C 3.58Å; H755-G767 VanDerWaalsContact O-CA 3.29Å; H755-G767 WeakPolarHBondContact O-CA 3.21Å; G767-Y770 PolarHBondContact O-N 3.13Å; G767-G771 PolarHBondContact O-N 3.01Å
768	Y	98.8	Very high	97.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-42.8	-176	-171.8	-70.9	0	0	0	112.3	M589 L708 F714 V719 S722 M738 H755 D766 G771 L772	M589-Y768 HydrophobicContact CB-CD2 3.53Å; M589-Y768 HydrophobicContact CB-CE2 3.29Å; M589-Y768 HydrophobicContact CB-CG 4.27Å; M589-Y768 HydrophobicContact CG-CD2 4.37Å; M589-Y768 HydrophobicContact CG-CE2 3.71Å; L708-Y768 HydrophobicContact CD1-CD1 4.27Å; L708-Y768 HydrophobicContact CD1-CE1 3.84Å; F714-Y768 AromaticContact CE2-CD1 3.86Å; F714-Y768 HydrophobicContact CE2-CD1 3.86Å; F714-Y768 HydrophobicContact CE2-CE1 4.38Å; F714-Y768 AromaticContact CE2-CG 4Å; F714-Y768 HydrophobicContact CE2-CG 4Å; F714-Y768 AromaticContact CZ-CD1 3.67Å; F714-Y768 HydrophobicContact CZ-CD1 3.67Å; F714-Y768 HydrophobicContact CZ-CE1 4.48Å; F714-Y768 AromaticContact CZ-CG 3.96Å; F714-Y768 HydrophobicContact CZ-CG 3.96Å; V719-Y768 HydrophobicContact CB-CD2 4.17Å; V719-Y768 HydrophobicContact CG1-CD2 3.95Å; V719-Y768 HydrophobicContact CG1-CE2 4.01Å; S722-Y768 WeakPolarHBondContact OG-CE2 3.48Å; M738-Y768 HydrophobicContact CE-CE1 4.22Å; M738-Y768 HydrophobicContact CE-CE2 4.39Å; H755-Y768 PolarHBondContact O-N 3.21Å; D766-Y768 PolarHBondContact O-N 2.96Å; D766-Y768 WeakPolarHBondContact OD1-CB 3.44Å; D766-Y768 PolarHBondContact OD1-N 3.09Å; Y768-G771 PolarHBondContact O-N 3.33Å; Y768-L772 PolarHBondContact O-N 2.91Å
769	L	98.8	Very high	97.3	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.026	16%	0.164	C	C	.	.	H	α-helix	trans	-73.2	-35.2	176.4	-77.1	179.2	0	0	0	112	R705 L708 E709 F714 H755 R756 G771 L772 D773	R705-L769 HydrophobicContact CG-CD2 4.33Å; L708-L769 HydrophobicContact CB-CD2 3.97Å; L708-L769 HydrophobicContact CD1-CD2 3.85Å; E709-L769 HydrophobicContact CG-CD1 4Å; F714-L769 HydrophobicContact CE1-CD1 3.83Å; F714-L769 HydrophobicContact CE1-CD2 4.24Å; F714-L769 HydrophobicContact CE1-CG 3.71Å; F714-L769 HydrophobicContact CZ-CG 4.05Å; H755-L769 HydrophobicContact CB-CB 3.96Å; H755-L769 HydrophobicContact CB-CD1 4.17Å; H755-L769 HydrophobicContact CB-CG 3.92Å; H755-L769 WeakPolarHBondContact O-CA 3.47Å; H755-L769 WeakPolarHBondContact O-CB 3.37Å; H755-L769 PolarHBondContact O-N 3.42Å; R756-L769 HydrophobicContact CG-CB 3.61Å; L769-G771 PolarHBondContact O-N 3.34Å; L769-L772 HydrophobicContact CD2-CD2 4.02Å; L769-L772 CarbonylContact O-C 3.58Å; L769-L772 PolarHBondContact O-N 3.36Å; L769-L772 VanDerWaalsContact O-N 3.08Å; L769-D773 WeakPolarHBondContact O-CB 3.36Å; L769-D773 VanDerWaalsContact O-CG 3.26Å; L769-D773 PolarHBondContact O-N 3.3Å
770	Y	98.7	Very high	97.4	Very high	99 Å²	99	28.2 Å²	28.2	39%	0.388	16%	0.159	S	C	.	.	H	α-helix	trans	-57.1	-39.9	169.4	172.4	-100.5	0	0	0	111.9	V591 T651 H755 G767 S774	V591-Y770 HydrophobicContact CG1-CD1 3.69Å; V591-Y770 HydrophobicContact CG1-CE1 4.1Å; T651-Y770 PolarHBondContact O-OH 3.5Å; H755-Y770 PolarHBondContact O-N 2.89Å; H755-Y770 VanDerWaalsContact O-N 3.14Å; G767-Y770 PolarHBondContact O-N 3.13Å; Y770-S774 WeakPolarHBondContact O-CB 3.39Å; Y770-S774 PolarHBondContact O-N 2.87Å; Y770-S774 PolarHBondContact O-OG 3.47Å
771	G	98.7	Very high	97.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.8	-38.7	171.9	0	0	0	0	0	114.3	L652 G653 F654 G767 Y768 L769 L775	L652-G771 WeakPolarHBondContact O-CA 3.45Å; G653-G771 WeakPolarHBondContact O-CA 3.33Å; F654-G771 WeakPolarHBondContact CD1-O 3.46Å; G767-G771 PolarHBondContact O-N 3.01Å; Y768-G771 PolarHBondContact O-N 3.33Å; L769-G771 PolarHBondContact O-N 3.34Å; G771-L775 PolarHBondContact O-N 2.91Å
772	L	98.8	Very high	97.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-73	-36.7	177.9	-179	56.8	0	0	0	112.7	M589 L701 I704 R705 L708 L724 Y768 L769 L775 V776	M589-L772 HydrophobicContact CE-CB 4.33Å; L701-L772 HydrophobicContact CB-CD1 4.22Å; L701-L772 HydrophobicContact CD2-CD1 3.68Å; I704-L772 HydrophobicContact CG2-CD2 3.85Å; R705-L772 HydrophobicContact CB-CD2 3.67Å; R705-L772 HydrophobicContact CB-CG 4.24Å; R705-L772 HydrophobicContact CG-CD2 4.34Å; L708-L772 HydrophobicContact CD1-CD2 3.54Å; L724-L772 HydrophobicContact CD1-CD1 4.04Å; Y768-L772 PolarHBondContact O-N 2.91Å; L769-L772 HydrophobicContact CD2-CD2 4.02Å; L769-L772 CarbonylContact O-C 3.58Å; L769-L772 PolarHBondContact O-N 3.36Å; L769-L772 VanDerWaalsContact O-N 3.08Å; L772-L775 WeakPolarHBondContact O-CB 3.47Å; L772-L775 PolarHBondContact O-N 3.01Å; L772-V776 HydrophobicContact CD1-CG2 4.37Å; L772-V776 WeakPolarHBondContact O-CG2 3.17Å; L772-V776 PolarHBondContact O-N 3.32Å
773	D	98.8	Very high	97.7	Very high	29 Å²	29	20.3 Å²	20.3	16%	0.155	11%	0.105	C	C	.	.	H	α-helix	trans	-62.2	-47.7	172.4	-69	-35.6	0	0	0	109.8	R705 R756 L769 L775 V776 D777	R705-D773 WeakPolarHBondContact CD-OD1 3.12Å; R705-D773 IonicContact CZ-OD1 3.06Å; R705-D773 IonicContact NE-OD1 3.73Å; R705-D773 IonicContact NH1-OD1 2.69Å; R705-D773 PolarHBondContact NH1-OD1 3.48Å; R756-D773 IonicContact CZ-OD2 3.82Å; R756-D773 VanDerWaalsContact CZ-OD2 3.22Å; R756-D773 IonicContact NE-OD2 2.69Å; R756-D773 PolarHBondContact NE-OD2 2.92Å; R756-D773 IonicContact NH2-OD1 2.65Å; R756-D773 PolarHBondContact NH2-OD1 3.29Å; R756-D773 VanDerWaalsContact NH2-OD1 3.12Å; R756-D773 IonicContact NH2-OD2 3.38Å; R756-D773 PolarHBondContact NH2-OD2 3.08Å; L769-D773 WeakPolarHBondContact O-CB 3.36Å; L769-D773 VanDerWaalsContact O-CG 3.26Å; L769-D773 PolarHBondContact O-N 3.3Å; D773-L775 VanDerWaalsContact C-N 3.28Å; D773-L775 PolarHBondContact O-N 2.9Å; D773-V776 PolarHBondContact O-N 3.49Å; D773-D777 VanDerWaalsContact O-CG 3.29Å; D773-D777 PolarHBondContact O-N 2.86Å
774	S	98.6	Very high	97.4	Very high	13 Å²	13	22.6 Å²	22.6	9%	0.091	12%	0.118	C	C	.	.	H	α-helix	trans	-56.2	-39.3	173.6	-61	0	0	0	0	112.9	L652 Y770 I778	L652-S774 VanDerWaalsContact O-CB 3.24Å; L652-S774 WeakPolarHBondContact O-CB 3.3Å; L652-S774 PolarHBondContact O-OG 2.72Å; Y770-S774 WeakPolarHBondContact O-CB 3.39Å; Y770-S774 PolarHBondContact O-N 2.87Å; Y770-S774 PolarHBondContact O-OG 3.47Å; S774-I778 WeakPolarHBondContact O-CB 3.35Å; S774-I778 WeakPolarHBondContact O-CD1 3.4Å; S774-I778 VanDerWaalsContact O-CG1 3.24Å; S774-I778 WeakPolarHBondContact O-CG1 3.37Å; S774-I778 PolarHBondContact O-N 3.08Å; S774-I778 VanDerWaalsContact O-N 3.08Å
775	L	98.6	Very high	96.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.8	-47.5	172	-81	171.5	0	0	0	112.6	M589 F654 F683 L701 L724 F726 G771 L772 D773 D777 I778 F779	M589-L775 HydrophobicContact CE-CD1 3.78Å; M589-L775 HydrophobicContact SD-CD1 3.8Å; F654-L775 HydrophobicContact CD1-CD1 4.37Å; F654-L775 HydrophobicContact CD1-CD2 4.11Å; F654-L775 HydrophobicContact CD1-CG 3.7Å; F654-L775 HydrophobicContact CD2-CD2 3.91Å; F654-L775 HydrophobicContact CD2-CG 4.25Å; F654-L775 HydrophobicContact CE1-CB 4.5Å; F654-L775 HydrophobicContact CE1-CD2 3.72Å; F654-L775 HydrophobicContact CE1-CG 3.62Å; F654-L775 HydrophobicContact CE2-CD2 3.5Å; F654-L775 VanDerWaalsContact CE2-CD2 3.5Å; F654-L775 HydrophobicContact CE2-CG 4.18Å; F654-L775 HydrophobicContact CG-CD1 4.32Å; F654-L775 HydrophobicContact CG-CD2 4.21Å; F654-L775 HydrophobicContact CG-CG 4.03Å; F654-L775 HydrophobicContact CZ-CD2 3.39Å; F654-L775 HydrophobicContact CZ-CG 3.87Å; F683-L775 HydrophobicContact CE2-CD2 3.8Å; F683-L775 HydrophobicContact CZ-CD2 3.51Å; L701-L775 HydrophobicContact CD1-CB 4.29Å; L724-L775 HydrophobicContact CD1-CD1 3.77Å; F726-L775 HydrophobicContact CZ-CD1 4.36Å; F726-L775 HydrophobicContact CZ-CD2 4.43Å; G771-L775 PolarHBondContact O-N 2.91Å; L772-L775 WeakPolarHBondContact O-CB 3.47Å; L772-L775 PolarHBondContact O-N 3.01Å; D773-L775 VanDerWaalsContact C-N 3.28Å; D773-L775 PolarHBondContact O-N 2.9Å; L775-D777 VanDerWaalsContact C-N 3.26Å; L775-D777 PolarHBondContact O-N 2.87Å; L775-I778 PolarHBondContact O-N 3.34Å; L775-F779 HydrophobicContact CD2-CE2 4.3Å; L775-F779 WeakPolarHBondContact O-CD2 3.46Å; L775-F779 PolarHBondContact O-N 2.84Å
776	V	98.7	Very high	95.2	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-38.5	179.8	167.2	0	0	0	0	111	L698 L701 K702 L772 D773 S780	L698-V776 HydrophobicContact CD1-CG1 4.23Å; L698-V776 WeakPolarHBondContact CD1-O 3.3Å; L701-V776 HydrophobicContact CB-CG2 3.73Å; K702-V776 HydrophobicContact CD-CG1 4.47Å; K702-V776 HydrophobicContact CG-CG1 3.97Å; K702-V776 HydrophobicContact CG-CG2 4.38Å; L772-V776 HydrophobicContact CD1-CG2 4.37Å; L772-V776 WeakPolarHBondContact O-CG2 3.17Å; L772-V776 PolarHBondContact O-N 3.32Å; D773-V776 PolarHBondContact O-N 3.49Å; V776-S780 WeakPolarHBondContact O-CB 3.42Å; V776-S780 PolarHBondContact O-N 2.67Å; V776-S780 PolarHBondContact O-OG 2.6Å
777	D	98.4	Very high	92.9	Very high	83 Å²	83	36.3 Å²	36.3	44%	0.444	21%	0.206	S	C	.	.	H	α-helix	trans	-72.5	-37.5	178.4	-66.4	-9.7	0	0	0	111.8	R676 D773 L775 S781	R676-D777 VanDerWaalsContact NH2-C 3.29Å; R676-D777 PolarHBondContact NH2-O 2.95Å; D773-D777 VanDerWaalsContact O-CG 3.29Å; D773-D777 PolarHBondContact O-N 2.86Å; L775-D777 VanDerWaalsContact C-N 3.26Å; L775-D777 PolarHBondContact O-N 2.87Å; D777-S781 WeakPolarHBondContact O-CB 3.45Å; D777-S781 PolarHBondContact O-N 3.36Å; D777-S781 PolarHBondContact O-OG 2.83Å
778	I	98.2	Very high	92.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.9	-54.5	172.4	-77.5	166.3	0	0	0	110	L652 F654 R676 V679 V680 F683 S774 L775 S780 S781 M782	L652-I778 HydrophobicContact CD1-CD1 4.3Å; F654-I778 HydrophobicContact CE1-CD1 4.12Å; F654-I778 HydrophobicContact CZ-CD1 3.78Å; R676-I778 HydrophobicContact CG-CD1 4.19Å; R676-I778 HydrophobicContact CG-CG1 4.02Å; V679-I778 HydrophobicContact CG1-CD1 4.03Å; V680-I778 HydrophobicContact CG2-CG2 3.94Å; F683-I778 HydrophobicContact CD2-CG2 3.98Å; F683-I778 HydrophobicContact CE2-CG2 4.34Å; S774-I778 WeakPolarHBondContact O-CB 3.35Å; S774-I778 WeakPolarHBondContact O-CD1 3.4Å; S774-I778 VanDerWaalsContact O-CG1 3.24Å; S774-I778 WeakPolarHBondContact O-CG1 3.37Å; S774-I778 PolarHBondContact O-N 3.08Å; S774-I778 VanDerWaalsContact O-N 3.08Å; L775-I778 PolarHBondContact O-N 3.34Å; I778-S780 VanDerWaalsContact C-N 3.32Å; I778-S780 PolarHBondContact O-N 2.96Å; I778-S781 PolarHBondContact O-N 2.82Å; I778-S781 PolarHBondContact O-OG 2.96Å; I778-M782 HydrophobicContact CG2-SD 3.99Å; I778-M782 WeakPolarHBondContact O-CG 3.43Å; I778-M782 PolarHBondContact O-N 2.85Å
779	F	97.9	Very high	92.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-33.7	-179.5	-85.6	-105.6	0	0	0	112.8	F683 L694 Y697 L698 L701 F726 L775 V783	F683-F779 AromaticContact CD1-CE2 3.64Å; F683-F779 HydrophobicContact CD1-CE2 3.64Å; F683-F779 AromaticContact CD1-CZ 3.48Å; F683-F779 HydrophobicContact CD1-CZ 3.48Å; F683-F779 VanDerWaalsContact CD1-CZ 3.48Å; F683-F779 HydrophobicContact CD2-CE2 4.04Å; F683-F779 AromaticContact CE1-CE2 3.52Å; F683-F779 HydrophobicContact CE1-CE2 3.52Å; F683-F779 AromaticContact CE1-CZ 3.61Å; F683-F779 HydrophobicContact CE1-CZ 3.61Å; F683-F779 AromaticContact CE2-CE2 3.93Å; F683-F779 HydrophobicContact CE2-CE2 3.93Å; F683-F779 AromaticContact CG-CE2 3.92Å; F683-F779 HydrophobicContact CG-CE2 3.92Å; F683-F779 HydrophobicContact CG-CZ 4.05Å; F683-F779 AromaticContact CZ-CE2 3.7Å; F683-F779 HydrophobicContact CZ-CE2 3.7Å; F683-F779 HydrophobicContact CZ-CZ 4.27Å; L694-F779 HydrophobicContact CD1-CD1 3.56Å; L694-F779 HydrophobicContact CD1-CE1 3.81Å; L694-F779 HydrophobicContact CD1-CG 4.43Å; L694-F779 HydrophobicContact CG-CD1 4.41Å; Y697-F779 VanDerWaalsContact CB-CE1 3.48Å; Y697-F779 AromaticContact CD2-CE1 3.9Å; Y697-F779 HydrophobicContact CD2-CE1 3.9Å; Y697-F779 HydrophobicContact CG-CE1 4.07Å; L698-F779 HydrophobicContact CB-CB 4.18Å; L698-F779 HydrophobicContact CD1-CB 3.78Å; L698-F779 HydrophobicContact CG-CB 4.47Å; L701-F779 HydrophobicContact CD1-CB 4.43Å; L701-F779 HydrophobicContact CD1-CD1 4.42Å; L701-F779 HydrophobicContact CD1-CD2 3.82Å; L701-F779 HydrophobicContact CD1-CE2 4.13Å; L701-F779 HydrophobicContact CD1-CG 3.97Å; F726-F779 HydrophobicContact CD1-CZ 4.22Å; F726-F779 HydrophobicContact CE1-CE1 4.35Å; F726-F779 HydrophobicContact CE1-CE2 4.03Å; F726-F779 AromaticContact CE1-CZ 3.63Å; F726-F779 HydrophobicContact CE1-CZ 3.63Å; F726-F779 HydrophobicContact CZ-CE2 4.33Å; F726-F779 HydrophobicContact CZ-CZ 4.34Å; L775-F779 HydrophobicContact CD2-CE2 4.3Å; L775-F779 WeakPolarHBondContact O-CD2 3.46Å; L775-F779 PolarHBondContact O-N 2.84Å; F779-V783 WeakPolarHBondContact O-CG2 3.43Å; F779-V783 PolarHBondContact O-N 2.65Å; F779-V783 VanDerWaalsContact O-N 3.1Å
780	S	97.5	Very high	91.9	Very high	21 Å²	21	42.1 Å²	42.1	15%	0.147	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-54.8	172.2	-55.7	0	0	0	0	110.2	L698 K702 V776 I778 M782 V783 D784	L698-S780 WeakPolarHBondContact CD1-OG 3.4Å; K702-S780 PolarHBondContact NZ-OG 3.24Å; V776-S780 WeakPolarHBondContact O-CB 3.42Å; V776-S780 PolarHBondContact O-N 2.67Å; V776-S780 PolarHBondContact O-OG 2.6Å; I778-S780 VanDerWaalsContact C-N 3.32Å; I778-S780 PolarHBondContact O-N 2.96Å; S780-M782 PolarHBondContact O-N 3.07Å; S780-M782 VanDerWaalsContact O-N 3.08Å; S780-V783 PolarHBondContact O-N 3.23Å; S780-D784 PolarHBondContact O-N 3.17Å; S780-D784 VanDerWaalsContact O-OD2 3.09Å
781	S	96.2	Very high	91.5	Very high	41 Å²	41	38.7 Å²	38.7	29%	0.287	23%	0.229	S	C	.	.	H	α-helix	trans	-58.7	-28.2	179.6	61.3	0	0	0	0	114.1	R676 D777 I778 S785	R676-S781 PolarHBondContact NH2-OG 2.71Å; D777-S781 WeakPolarHBondContact O-CB 3.45Å; D777-S781 PolarHBondContact O-N 3.36Å; D777-S781 PolarHBondContact O-OG 2.83Å; I778-S781 PolarHBondContact O-N 2.82Å; I778-S781 PolarHBondContact O-OG 2.96Å; S781-S785 WeakPolarHBondContact O-CB 3.31Å; S781-S785 PolarHBondContact O-N 2.97Å; S781-S785 PolarHBondContact O-OG 2.81Å
782	M	95.2	Very high	91.1	Very high	11 Å²	11	41.1 Å²	41.1	5%	0.054	24%	0.243	C	C	.	.	H	α-helix	trans	-74.2	-41.4	173.1	-69.8	176.5	62.9	0	0	112.7	V680 F683 H684 L694 I778 S780 S785 E786	V680-M782 HydrophobicContact CB-SD 4.45Å; V680-M782 HydrophobicContact CG1-CG 4.03Å; V680-M782 HydrophobicContact CG1-SD 4.14Å; V680-M782 HydrophobicContact CG2-CG 4.37Å; V680-M782 HydrophobicContact CG2-SD 4.35Å; F683-M782 HydrophobicContact CB-CE 3.87Å; F683-M782 HydrophobicContact CB-SD 3.86Å; H684-M782 HydrophobicContact CB-CE 3.95Å; L694-M782 HydrophobicContact CD1-CB 4.22Å; L694-M782 HydrophobicContact CD1-CE 3.9Å; L694-M782 HydrophobicContact CD1-SD 4.44Å; L694-M782 HydrophobicContact CD2-CB 3.82Å; I778-M782 HydrophobicContact CG2-SD 3.99Å; I778-M782 WeakPolarHBondContact O-CG 3.43Å; I778-M782 PolarHBondContact O-N 2.85Å; S780-M782 PolarHBondContact O-N 3.07Å; S780-M782 VanDerWaalsContact O-N 3.08Å; M782-S785 PolarHBondContact O-N 2.6Å; M782-E786 PolarHBondContact O-N 3.3Å
783	V	94	Very high	90.6	Very high	14 Å²	14	43.9 Å²	43.9	9%	0.085	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-45.5	174.4	169.4	0	0	0	0	110.4	L694 L698 F779 S780 S785 E786	L694-V783 HydrophobicContact CB-CG2 4.46Å; L694-V783 HydrophobicContact CD2-CB 4.41Å; L694-V783 HydrophobicContact CD2-CG2 3.62Å; L694-V783 HydrophobicContact CG-CG2 3.71Å; L698-V783 HydrophobicContact CD2-CB 4.31Å; L698-V783 HydrophobicContact CD2-CG2 3.9Å; F779-V783 WeakPolarHBondContact O-CG2 3.43Å; F779-V783 PolarHBondContact O-N 2.65Å; F779-V783 VanDerWaalsContact O-N 3.1Å; S780-V783 PolarHBondContact O-N 3.23Å; V783-S785 PolarHBondContact O-N 2.89Å; V783-S785 VanDerWaalsContact O-N 3.16Å; V783-E786 PolarHBondContact O-N 2.71Å
784	D	90.4	Very high	90	Very high	108 Å²	108	44.9 Å²	44.9	58%	0.578	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.1	179.9	-53.6	-33.1	0	0	0	112.7	S780 T787	S780-D784 PolarHBondContact O-N 3.17Å; S780-D784 VanDerWaalsContact O-OD2 3.09Å; D784-T787 PolarHBondContact O-OG1 2.88Å
785	S	82	Confident	89.3	Confident	99 Å²	99	47.4 Å²	47.4	69%	0.692	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-11.1	173.7	-61.6	0	0	0	0	113.8	S781 M782 V783	S781-S785 WeakPolarHBondContact O-CB 3.31Å; S781-S785 PolarHBondContact O-N 2.97Å; S781-S785 PolarHBondContact O-OG 2.81Å; M782-S785 PolarHBondContact O-N 2.6Å; V783-S785 PolarHBondContact O-N 2.89Å; V783-S785 VanDerWaalsContact O-N 3.16Å
786	E	64.6	Low	88.5	Confident	73 Å²	73	51.3 Å²	51.3	34%	0.341	30%	0.304	S	S	.	.			trans	-101.7	2.5	-179.7	-70.6	-179.7	167.8	0	0	112.8	S691 L694 M782 V783	S691-E786 WeakPolarHBondContact CA-OE2 3.4Å; S691-E786 WeakPolarHBondContact CB-OE2 3.4Å; L694-E786 WeakPolarHBondContact CD2-OE2 3.38Å; M782-E786 PolarHBondContact O-N 3.3Å; V783-E786 PolarHBondContact O-N 2.71Å
787	T	49.4	Very low	87.6	Confident	164 Å²	164	55.8 Å²	55.8	100%	1.006	33%	0.33	S	S	*	.			trans	-111.9	0	-178.8	56.6	0	0	0	0	113.5	D784	D784-T787 PolarHBondContact O-OG1 2.88Å

Retrieved 787 of 787 residues in 338.2 ms (Link to these results)

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