A0A077Z7I2_TRITR Loading...

Aspartate aminotransferase

AlphaFold DB , UniProt , Accession A0A077Z7I2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 508 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.1	Very low	39.8	Very low	231 Å²	231	143.5 Å²	143.5	100%	1.138	85%	0.85	S	S	*	*				0	107.1	0	-67.4	-171.2	-154.6	0	0	106.4
2	D	41	Very low	39.3	Very low	170 Å²	170	141 Å²	141	91%	0.909	85%	0.846	S	S	*	*			trans	43.2	125.3	154.1	-43.5	-24	0	0	0	118.8
3	G	38.7	Very low	39.1	Very low	64 Å²	64	145.8 Å²	145.8	66%	0.66	85%	0.849	S	S	*	*			cis	164.2	161.9	7.6	0	0	0	0	0	109.1
4	L	47.7	Very low	38.9	Very low	188 Å²	188	141.8 Å²	141.8	98%	0.984	84%	0.842	S	S	*	*			trans	76.3	121.5	167.1	-50.7	162.1	0	0	0	115.9
5	G	39.4	Very low	38.4	Very low	67 Å²	67	136.7 Å²	136.7	69%	0.691	83%	0.831	S	S	*	*			cis	126.8	113.7	7.7	0	0	0	0	0	111.7
6	S	42.9	Very low	38	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	84%	0.836	S	S	*	*			trans	78.6	148.2	156.7	106.9	0	0	0	0	118.1
7	T	39	Very low	37.7	Very low	112 Å²	112	147.7 Å²	147.7	69%	0.687	84%	0.843	S	S	*	*			cis	-171.4	144.1	-22.8	11.4	0	0	0	0	106.9
8	K	37.4	Very low	37.6	Very low	208 Å²	208	145.2 Å²	145.2	90%	0.904	84%	0.836	S	S	*	*			trans	54.1	119.5	145.2	-65.6	-179.9	177.9	179.8	0	120.9
9	G	39.9	Very low	37.2	Very low	78 Å²	78	143.4 Å²	143.4	80%	0.804	83%	0.833	S	S	*	*			trans	-162.2	85.5	154.2	0	0	0	0	0	110.8
10	N	34.9	Very low	37	Very low	168 Å²	168	142 Å²	142	90%	0.898	83%	0.831	S	S	*	*			trans	-69.9	127.9	169.4	-85.8	-16.3	0	0	0	109.8
11	M	35.1	Very low	36.7	Very low	178 Å²	178	140.3 Å²	140.3	88%	0.877	83%	0.827	S	S	*	*			trans	-136.3	100	149.3	-99.4	-162.7	-85.2	0	0	109.1
12	S	33	Very low	36.3	Very low	114 Å²	114	136.9 Å²	136.9	80%	0.797	81%	0.812	S	S	*	*			trans	-80.6	125.2	159.8	56.6	0	0	0	0	108.5
13	F	36.6	Very low	36	Very low	203 Å²	203	136.5 Å²	136.5	89%	0.89	81%	0.809	S	S	*	*			trans	-108.9	119.6	157.7	-117	-88	0	0	0	109.1
14	A	36.9	Very low	35.7	Very low	90 Å²	90	141.2 Å²	141.2	74%	0.744	82%	0.819	S	S	*	*			trans	-80	151.1	-178	0	0	0	0	0	111.8
15	G	30.8	Very low	35	Very low	66 Å²	66	141.4 Å²	141.4	68%	0.68	81%	0.812	S	S	*	*			trans	74	93.6	133.3	0	0	0	0	0	118.3
16	F	33	Very low	34.9	Very low	210 Å²	210	146.8 Å²	146.8	92%	0.921	82%	0.823	S	S	*	*			trans	-135.7	89.7	136.3	-107.8	-87.2	0	0	0	108.8
17	R	32.7	Very low	34.4	Very low	250 Å²	250	144.7 Å²	144.7	94%	0.943	82%	0.819	S	S	*	*			trans	-106.9	106.4	152.6	-81.4	-173.3	175	-159.2	-0.6	105.6
18	S	35.2	Very low	34	Very low	103 Å²	103	144.5 Å²	144.5	72%	0.72	82%	0.823	S	S	*	*			trans	-100.8	109.6	161.3	71.3	0	0	0	0	108.5
19	S	30	Very low	34	Very low	111 Å²	111	141.3 Å²	141.3	78%	0.776	82%	0.815	S	S	*	*			trans	-57	129.4	161.9	34	0	0	0	0	112
20	S	33.3	Very low	33.8	Very low	114 Å²	114	144.9 Å²	144.9	80%	0.797	81%	0.811	S	S	*	*			trans	-155.2	76	142.5	48.3	0	0	0	0	109.1	I22	S20-I22 PolarHBondContact O-N 3.44Å
21	S	32.2	Very low	33.6	Very low	108 Å²	108	145.3 Å²	145.3	76%	0.755	81%	0.812	S	S	*	*			trans	-64.5	110.7	148.1	51.8	0	0	0	0	107.9
22	I	33.2	Very low	33.6	Very low	158 Å²	158	143.7 Å²	143.7	81%	0.81	81%	0.807	S	S	*	*			trans	-174.5	106.1	150.9	-87.1	142.2	0	0	0	104.4	S20	S20-I22 PolarHBondContact O-N 3.44Å
23	L	33.9	Very low	33.5	Very low	162 Å²	162	146.1 Å²	146.1	85%	0.848	81%	0.811	S	S	*	*			trans	161.5	66.6	151.7	-86.6	163.2	0	0	0	107.6
24	N	32.8	Very low	33.5	Very low	163 Å²	163	141.5 Å²	141.5	87%	0.872	81%	0.81	S	S	*	*			trans	-126.8	94.5	158.3	-99.9	-11.7	0	0	0	105.8
25	K	32.9	Very low	33.2	Very low	193 Å²	193	141.9 Å²	141.9	84%	0.839	81%	0.807	S	S	*	*			trans	171.4	148.1	156	-99.1	169.7	-177.8	-174.5	0	107.9
26	I	37.1	Very low	33.5	Very low	180 Å²	180	146.8 Å²	146.8	92%	0.923	82%	0.818	S	S	*	*			trans	79.8	100.4	-161.2	-46.7	157.7	0	0	0	108.8
27	G	32.8	Very low	33.5	Very low	69 Å²	69	140.2 Å²	140.2	71%	0.711	81%	0.809	S	S	*	*			cis	139	104.4	29.2	0	0	0	0	0	104.6	N29	G27-N29 PolarHBondContact O-N 3.38Å
28	S	31.3	Very low	33.4	Very low	109 Å²	109	134 Å²	134	76%	0.762	80%	0.804	S	S	*	*			trans	-52.7	125.6	167.1	43.5	0	0	0	0	110.1
29	N	37.1	Very low	33.5	Very low	140 Å²	140	135.7 Å²	135.7	75%	0.749	81%	0.81	S	S	*	*				174.8	146.7	128.2	-90.5	-3.9	0	0	0	112.2	G27	G27-N29 PolarHBondContact O-N 3.38Å
30	E	34.5	Very low	33.7	Very low	154 Å²	154	134.3 Å²	134.3	72%	0.72	81%	0.805	S	S	*	*			trans	78.8	85.2	153.1	-71.1	167.2	-164.8	0	0	118.7
31	L	30.4	Very low	33.6	Very low	176 Å²	176	134 Å²	134	92%	0.921	80%	0.803	S	S	*	*				-55.5	113.7	128.8	-80.6	149.4	0	0	0	109.1
32	L	35.4	Very low	33.8	Very low	145 Å²	145	140.9 Å²	140.9	76%	0.759	81%	0.812	S	S	*	*			trans	-143.5	126	157.3	-78.5	178.4	0	0	0	110.4
33	D	32.4	Very low	33.8	Very low	165 Å²	165	140.6 Å²	140.6	88%	0.882	81%	0.812	S	S	*	*			trans	-49	144.8	160.8	-87.2	-46.2	0	0	0	111.6
34	A	35.4	Very low	33.9	Very low	105 Å²	105	142.1 Å²	142.1	87%	0.868	82%	0.815	S	S	*	*			trans	-133	88.2	163.4	0	0	0	0	0	109.4
35	S	31.7	Very low	33.9	Very low	99 Å²	99	139.8 Å²	139.8	69%	0.692	81%	0.811	S	S	*	*			trans	-80	146.6	147.8	51.3	0	0	0	0	109.7
36	D	35.2	Very low	34.4	Very low	169 Å²	169	138.7 Å²	138.7	90%	0.904	81%	0.813	S	S	*	*			trans	71.2	127.8	165.5	-66.5	-20.3	0	0	0	119.9
37	G	34.5	Very low	34.4	Very low	72 Å²	72	133.6 Å²	133.6	74%	0.742	81%	0.805	S	S	*	*			trans	169.7	64.3	174.9	0	0	0	0	0	113.2	V39	G37-V39 PolarHBondContact O-N 3.49Å
38	S	30.2	Very low	34.4	Very low	119 Å²	119	138.4 Å²	138.4	83%	0.832	81%	0.809	S	S	*	*			trans	-55.7	126.3	165.6	53.1	0	0	0	0	111.9
39	V	36.4	Very low	34.9	Very low	138 Å²	138	141.4 Å²	141.4	84%	0.836	82%	0.816	S	S	*	*			trans	-141.8	107.1	160.5	-176.9	0	0	0	0	111	G37	G37-V39 PolarHBondContact O-N 3.49Å
40	A	35.9	Very low	34.9	Very low	83 Å²	83	140.9 Å²	140.9	69%	0.686	81%	0.813	S	S	*	*			trans	34.8	111.8	137	0	0	0	0	0	121.1
41	S	29.6	Very low	35.3	Very low	107 Å²	107	141.1 Å²	141.1	75%	0.748	82%	0.82	S	S	*	*			trans	4.7	127.4	132.2	57.4	0	0	0	0	119.2
42	R	36.7	Very low	35.7	Very low	252 Å²	252	139.2 Å²	139.2	95%	0.951	82%	0.815	S	S	*	*			trans	-142.7	115.8	138.9	-96.2	-176.5	175.1	163.7	-1.6	110
43	D	33.7	Very low	36.2	Very low	152 Å²	152	137.9 Å²	137.9	81%	0.813	82%	0.815	S	S	*	*			trans	-63.8	139.9	167.9	-72.7	-53.5	0	0	0	111.6
44	E	36.6	Very low	36.3	Very low	195 Å²	195	136.4 Å²	136.4	91%	0.911	81%	0.812	S	S	*	*			trans	-137.8	105.8	144.9	-80.7	-168.4	164.3	0	0	108.5
45	S	32.9	Very low	36.6	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	81%	0.807	S	S	*	*			trans	-77.3	134.8	171.7	52.2	0	0	0	0	111.2
46	I	42.2	Very low	37	Very low	171 Å²	171	139.9 Å²	139.9	88%	0.877	82%	0.817	S	S	*	*			trans	-133.7	116.5	159	-60.6	179.6	0	0	0	108.8
47	G	36.8	Very low	37.2	Very low	72 Å²	72	135.6 Å²	135.6	74%	0.742	81%	0.813	S	S	*	*				86.9	95.8	129	0	0	0	0	0	117.9
48	E	34	Very low	37.2	Very low	170 Å²	170	135.5 Å²	135.5	79%	0.794	81%	0.812	S	S	*	*			trans	-36	142.5	160.1	-64.6	166.8	145.1	0	0	115.5
49	D	40.7	Very low	37.6	Very low	172 Å²	172	136.9 Å²	136.9	92%	0.92	82%	0.815	S	S	*	*			trans	-150.7	122.8	130.1	-109.8	-23.7	0	0	0	110.9
50	N	37	Very low	37.6	Very low	129 Å²	129	136.5 Å²	136.5	69%	0.69	81%	0.814	S	S	*	*			trans	-86.3	136.4	-173.4	-71.2	-61.4	0	0	0	111.5
51	N	42.8	Very low	37.9	Very low	160 Å²	160	140.6 Å²	140.6	86%	0.856	82%	0.824	S	S	*	*			trans	-177.9	108.3	136.9	-104.4	-29.8	0	0	0	112.7
52	V	38.7	Very low	38.3	Very low	136 Å²	136	144.4 Å²	144.4	82%	0.824	83%	0.83	S	S	*	*			trans	-140.6	126.2	153	-179.7	0	0	0	0	107.7
53	P	46.3	Very low	38.2	Very low	116 Å²	116	135.9 Å²	135.9	75%	0.753	82%	0.82	S	S	*	*			trans	-91	141.4	162.7	18.6	-2.6	0	0	0	111.4
54	T	34.7	Very low	38.6	Very low	135 Å²	135	137.7 Å²	137.7	83%	0.828	82%	0.821	S	S	*	*			trans	-67.9	149.1	177.9	44.9	0	0	0	0	113.4
55	S	42	Very low	38.9	Very low	107 Å²	107	135.4 Å²	135.4	75%	0.748	82%	0.821	S	S	*	*				-173.9	124.9	128.5	52.4	0	0	0	0	113.8
56	N	40	Very low	39.7	Very low	169 Å²	169	136.5 Å²	136.5	90%	0.904	82%	0.818	S	S	*	*			trans	51.7	125.3	135	-61.6	-11.3	0	0	0	122
57	G	38.7	Very low	39.9	Very low	80 Å²	80	133.9 Å²	133.9	83%	0.825	82%	0.815	S	S	*	*			trans	157.2	102.9	149.9	0	0	0	0	0	112.4
58	G	34.5	Very low	40.9	Very low	70 Å²	70	134.4 Å²	134.4	72%	0.722	81%	0.812	S	S	*	*			trans	-69.8	156.3	-173.4	0	0	0	0	0	115
59	T	40.1	Very low	42.2	Very low	147 Å²	147	131 Å²	131	90%	0.902	81%	0.806	S	S	*	*				179.2	122.8	119.2	24.1	0	0	0	0	108	N61	T59-N61 PolarHBondContact O-N 3.05Å
60	T	34.9	Very low	43.8	Very low	131 Å²	131	130.4 Å²	130.4	80%	0.804	80%	0.803	S	S	*	*			trans	-65.4	109.3	172.7	44.1	0	0	0	0	109.4
61	N	43.3	Very low	46.1	Very low	169 Å²	169	127.3 Å²	127.3	90%	0.904	79%	0.791	S	S	*	*			trans	-108.5	83.6	160.4	-117.1	-3.8	0	0	0	107.6	T59	T59-N61 PolarHBondContact O-N 3.05Å
62	E	37.1	Very low	48.3	Very low	186 Å²	186	130.3 Å²	130.3	87%	0.869	79%	0.79	S	S	*	*			trans	-66.8	132.4	157.9	-66.8	-177.3	158.2	0	0	107.9
63	G	34.8	Very low	50.9	Low	73 Å²	73	132.1 Å²	132.1	75%	0.753	78%	0.784	S	S	*	*			trans	114.1	70	166.4	0	0	0	0	0	115.6
64	K	42.1	Very low	52.9	Low	190 Å²	190	129.7 Å²	129.7	83%	0.826	78%	0.78	S	S	*	*			trans	171	89.2	132.1	-94.4	170.5	-176.5	-178.4	0	107.3	D66	K64-D66 PolarHBondContact O-N 3.26Å
65	T	44	Very low	55.5	Low	147 Å²	147	128.7 Å²	128.7	90%	0.902	78%	0.778	S	S	*	*			trans	-68.2	84.3	153.9	46.2	0	0	0	0	106	S67	T65-S67 PolarHBondContact O-N 2.97Å
66	D	48.4	Very low	57.7	Low	137 Å²	137	128.6 Å²	128.6	73%	0.733	77%	0.773	S	S	*	*			trans	-52.4	114.7	159.7	-95.3	-19.7	0	0	0	105.3	K64 A68	K64-D66 PolarHBondContact O-N 3.26Å; D66-A68 PolarHBondContact O-N 3.4Å
67	S	47.5	Very low	60.1	Low	116 Å²	116	125.7 Å²	125.7	81%	0.811	77%	0.765	S	S	*	*			trans	-64.6	71.8	158	64.4	0	0	0	0	106.3	T65 S69	T65-S67 PolarHBondContact O-N 2.97Å; S67-S69 PolarHBondContact O-N 2.98Å
68	A	57.9	Low	62.4	Low	82 Å²	82	130.7 Å²	130.7	68%	0.678	77%	0.769	S	S	*	*			trans	-54.7	102.1	157.5	0	0	0	0	0	103.2	D66 L70	D66-A68 PolarHBondContact O-N 3.4Å; A68-L70 PolarHBondContact O-N 2.99Å; A68-L70 VanDerWaalsContact O-N 3.09Å
69	S	61.2	Low	64.7	Low	98 Å²	98	129.9 Å²	129.9	69%	0.685	76%	0.761	S	S	*	*			trans	-40.3	124.9	179.6	58	0	0	0	0	106.7	S67 S71	S67-S69 PolarHBondContact O-N 2.98Å; S69-S71 PolarHBondContact O-N 3.02Å
70	L	73.8	Confident	66.6	Low	160 Å²	160	128.9 Å²	128.9	84%	0.838	76%	0.756	S	S	*	*			trans	-60.4	77.3	172.2	-90.5	113	0	0	0	107.7	A68 W72	A68-L70 PolarHBondContact O-N 2.99Å; A68-L70 VanDerWaalsContact O-N 3.09Å; L70-W72 PolarHBondContact O-N 2.79Å; L70-W72 VanDerWaalsContact O-N 3.16Å
71	S	86.2	Confident	68.7	Low	64 Å²	64	127.3 Å²	127.3	45%	0.448	75%	0.749	S	S	.	*			trans	-73.6	111.7	175.7	176.4	0	0	0	0	104.6	S69 Y73 G74	S69-S71 PolarHBondContact O-N 3.02Å; S71-Y73 PolarHBondContact O-N 2.68Å; S71-Y73 PolarHBondContact OG-N 2.65Å; S71-G74 PolarHBondContact O-N 2.87Å; S71-G74 VanDerWaalsContact O-N 3.08Å; S71-G74 PolarHBondContact OG-N 3.35Å; S71-G74 VanDerWaalsContact OG-N 3.12Å
72	W	88.8	Confident	70.5	Confident	223 Å²	223	122.3 Å²	122.3	85%	0.845	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	-16.1	169.6	-61.2	104.3	0	0	0	112.8	L70	L70-W72 PolarHBondContact O-N 2.79Å; L70-W72 VanDerWaalsContact O-N 3.16Å
73	Y	92.5	Very high	72.5	Confident	175 Å²	175	117.5 Å²	117.5	69%	0.686	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	12.1	-176.1	-47.4	-59.9	0	0	0	113.4	S71 S75 V76	S71-Y73 PolarHBondContact O-N 2.68Å; S71-Y73 PolarHBondContact OG-N 2.65Å; Y73-S75 PolarHBondContact O-N 3.46Å; Y73-S75 VanDerWaalsContact O-N 3.11Å; Y73-V76 HydrophobicContact CD1-CG2 4.32Å; Y73-V76 WeakPolarHBondContact O-CB 3.47Å; Y73-V76 PolarHBondContact O-N 2.79Å
74	G	88.1	Confident	74.7	Confident	65 Å²	65	115.2 Å²	115.2	67%	0.67	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-23.4	-176.2	0	0	0	0	0	114.2	S71	S71-G74 PolarHBondContact O-N 2.87Å; S71-G74 VanDerWaalsContact O-N 3.08Å; S71-G74 PolarHBondContact OG-N 3.35Å; S71-G74 VanDerWaalsContact OG-N 3.12Å
75	S	90.3	Very high	76.5	Confident	114 Å²	114	111.5 Å²	111.5	80%	0.797	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-4.2	176.4	59	0	0	0	0	114.4	Y73 C77	Y73-S75 PolarHBondContact O-N 3.46Å; Y73-S75 VanDerWaalsContact O-N 3.11Å; S75-C77 PolarHBondContact O-N 3.12Å; S75-C77 VanDerWaalsContact O-N 3.11Å
76	V	88.6	Confident	78.4	Confident	104 Å²	104	105.4 Å²	105.4	63%	0.63	63%	0.632	S	S	*	*			trans	-70.9	109.8	-179.5	178.1	0	0	0	0	108.9	Y73	Y73-V76 HydrophobicContact CD1-CG2 4.32Å; Y73-V76 WeakPolarHBondContact O-CB 3.47Å; Y73-V76 PolarHBondContact O-N 2.79Å
77	C	89	Confident	80.3	Confident	109 Å²	109	99.9 Å²	99.9	74%	0.736	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-79.7	151.9	176.2	62.6	0	0	0	0	111.8	S75 G79	S75-C77 PolarHBondContact O-N 3.12Å; S75-C77 VanDerWaalsContact O-N 3.11Å; C77-G79 PolarHBondContact O-N 2.78Å
78	M	86.8	Confident	82.2	Confident	185 Å²	185	95.8 Å²	95.8	91%	0.911	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-60.9	121.2	171	-168.3	95.3	56.2	0	0	109.4
79	G	83.2	Confident	83.6	Confident	53 Å²	53	96.4 Å²	96.4	55%	0.546	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-65.3	148.4	173.5	0	0	0	0	0	111.5	C77	C77-G79 PolarHBondContact O-N 2.78Å
80	P	81.4	Confident	85	Confident	125 Å²	125	93.5 Å²	93.5	81%	0.812	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-64.2	139.6	174.3	28	-33.8	0	0	0	109.9
81	P	77.4	Confident	85.8	Confident	99 Å²	99	88.6 Å²	88.6	64%	0.643	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-62.5	144	174.4	25.3	-32.5	0	0	0	110.6
82	D	82.2	Confident	86.1	Confident	63 Å²	63	90.7 Å²	90.7	34%	0.337	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-61.1	130.7	174.4	176.7	-81.1	0	0	0	109.6	I84 L85 G86	D82-I84 PolarHBondContact O-N 2.79Å; D82-I84 WeakPolarHBondContact OD1-CA 3.34Å; D82-I84 WeakPolarHBondContact OD1-CB 3.41Å; D82-I84 PolarHBondContact OD1-N 3.39Å; D82-L85 HydrophobicContact CB-CB 4.06Å; D82-L85 HydrophobicContact CB-CD1 4.32Å; D82-L85 HydrophobicContact CB-CG 4.24Å; D82-L85 PolarHBondContact O-N 3.17Å; D82-L85 PolarHBondContact OD1-N 3.36Å; D82-G86 WeakPolarHBondContact O-CA 3.01Å; D82-G86 PolarHBondContact O-N 3.22Å
83	P	78.8	Confident	86.3	Confident	86 Å²	86	88.9 Å²	88.9	56%	0.558	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.1	-175.2	-27.1	34.4	0	0	0	115.3
84	I	79.9	Confident	86.4	Confident	24 Å²	24	82.1 Å²	82.1	12%	0.123	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-46.2	-179.5	-55.5	173.7	0	0	0	110.5	D82 L87 T88 G103 T469 R473	D82-I84 PolarHBondContact O-N 2.79Å; D82-I84 WeakPolarHBondContact OD1-CA 3.34Å; D82-I84 WeakPolarHBondContact OD1-CB 3.41Å; D82-I84 PolarHBondContact OD1-N 3.39Å; I84-L87 WeakPolarHBondContact O-CB 3.38Å; I84-L87 PolarHBondContact O-N 3.1Å; I84-T88 PolarHBondContact O-N 2.78Å; I84-T88 PolarHBondContact O-OG1 3.08Å; I84-G103 WeakPolarHBondContact CG2-O 3.07Å; I84-T469 HydrophobicContact CG1-CG2 4.28Å; I84-R473 VanDerWaalsContact CD1-NH1 3.3Å
85	L	81.1	Confident	86.7	Confident	113 Å²	113	85.5 Å²	85.5	59%	0.592	50%	0.497	S	S	*	.	H	α-helix	trans	-71.1	-39.6	-179.8	-58.4	177.6	0	0	0	111.7	D82 L87 T88 E89	D82-L85 HydrophobicContact CB-CB 4.06Å; D82-L85 HydrophobicContact CB-CD1 4.32Å; D82-L85 HydrophobicContact CB-CG 4.24Å; D82-L85 PolarHBondContact O-N 3.17Å; D82-L85 PolarHBondContact OD1-N 3.36Å; L85-L87 VanDerWaalsContact C-N 3.25Å; L85-L87 PolarHBondContact O-N 3.05Å; L85-T88 WeakPolarHBondContact O-CA 3.03Å; L85-T88 VanDerWaalsContact O-CB 3.31Å; L85-T88 WeakPolarHBondContact O-CB 3.49Å; L85-T88 PolarHBondContact O-N 3.37Å; L85-E89 PolarHBondContact O-N 2.66Å
86	G	84.2	Confident	86.9	Confident	19 Å²	19	82.8 Å²	82.8	20%	0.196	47%	0.473	C	S	.	.	H	α-helix	trans	-61.9	-32.5	175.2	0	0	0	0	0	113.1	D82 T88 E89 A90	D82-G86 WeakPolarHBondContact O-CA 3.01Å; D82-G86 PolarHBondContact O-N 3.22Å; G86-T88 VanDerWaalsContact C-N 3.31Å; G86-T88 PolarHBondContact O-N 2.92Å; G86-E89 PolarHBondContact O-N 2.93Å; G86-A90 PolarHBondContact O-N 3.04Å
87	L	87.9	Confident	87.2	Confident	20 Å²	20	87.6 Å²	87.6	11%	0.105	49%	0.486	C	S	.	.	H	α-helix	trans	-64.8	-37.1	172.9	-174.4	69.7	0	0	0	111.8	I84 L85 A90 Y91 G103 I461 Y467 L468 T469	I84-L87 WeakPolarHBondContact O-CB 3.38Å; I84-L87 PolarHBondContact O-N 3.1Å; L85-L87 VanDerWaalsContact C-N 3.25Å; L85-L87 PolarHBondContact O-N 3.05Å; L87-A90 PolarHBondContact O-N 2.97Å; L87-Y91 WeakPolarHBondContact O-CB 3.06Å; L87-Y91 PolarHBondContact O-N 3.14Å; L87-G103 VanDerWaalsContact CD2-CA 3.48Å; L87-I461 HydrophobicContact CD1-CD1 4.38Å; L87-Y467 HydrophobicContact CD1-CD1 3.67Å; L87-Y467 HydrophobicContact CD1-CG 4.24Å; L87-Y467 HydrophobicContact CG-CD1 4.43Å; L87-L468 VanDerWaalsContact CD2-C 3.45Å; L87-L468 WeakPolarHBondContact CD2-O 3.39Å; L87-T469 HydrophobicContact CD2-CG2 4.28Å
88	T	86.9	Confident	87.3	Confident	31 Å²	31	87 Å²	87	19%	0.19	47%	0.473	C	S	.	.	H	α-helix	trans	-69	-38.3	176.2	-54.1	0	0	0	0	111.3	I84 L85 G86 Y91 N92 V104	I84-T88 PolarHBondContact O-N 2.78Å; I84-T88 PolarHBondContact O-OG1 3.08Å; L85-T88 WeakPolarHBondContact O-CA 3.03Å; L85-T88 VanDerWaalsContact O-CB 3.31Å; L85-T88 WeakPolarHBondContact O-CB 3.49Å; L85-T88 PolarHBondContact O-N 3.37Å; G86-T88 VanDerWaalsContact C-N 3.31Å; G86-T88 PolarHBondContact O-N 2.92Å; T88-Y91 PolarHBondContact O-N 3.43Å; T88-N92 WeakPolarHBondContact O-CB 3.42Å; T88-N92 PolarHBondContact O-N 3.38Å; T88-N92 PolarHBondContact O-ND2 3.19Å; T88-V104 HydrophobicContact CG2-CG2 3.92Å; T88-V104 WeakPolarHBondContact OG1-CG2 3.17Å
89	E	87.9	Confident	87.7	Confident	95 Å²	95	80.6 Å²	80.6	44%	0.444	44%	0.44	S	S	.	.	H	α-helix	trans	-62.5	-45.4	172.9	-67.9	-179.6	-162.2	0	0	112	L85 G86 N92 R93	L85-E89 PolarHBondContact O-N 2.66Å; G86-E89 PolarHBondContact O-N 2.93Å; E89-N92 PolarHBondContact O-N 3.03Å; E89-N92 VanDerWaalsContact O-N 3.16Å; E89-R93 WeakPolarHBondContact O-CG 3.06Å; E89-R93 PolarHBondContact O-N 3.09Å; E89-R93 IonicContact OE2-CZ 3.43Å; E89-R93 IonicContact OE2-NH2 3.44Å; E89-R93 PolarHBondContact OE2-NH2 2.7Å
90	A	89.5	Confident	88.2	Confident	36 Å²	36	78.3 Å²	78.3	30%	0.298	42%	0.416	S	S	.	.	H	α-helix	trans	-60.2	-46.9	176.4	0	0	0	0	0	111.5	G86 L87 N92 R93 D94 Y467	G86-A90 PolarHBondContact O-N 3.04Å; L87-A90 PolarHBondContact O-N 2.97Å; A90-N92 VanDerWaalsContact C-N 3.29Å; A90-N92 PolarHBondContact O-N 3.43Å; A90-R93 PolarHBondContact O-N 2.93Å; A90-D94 PolarHBondContact O-N 2.79Å; A90-D94 VanDerWaalsContact O-N 3.14Å; A90-Y467 HydrophobicContact CB-CD1 4.27Å; A90-Y467 HydrophobicContact CB-CE1 3.78Å
91	Y	91.9	Very high	88.8	Confident	58 Å²	58	73.7 Å²	73.7	23%	0.227	38%	0.384	C	S	.	.	H	α-helix	trans	-55.7	-42.2	172.8	168.6	-94.4	0	0	0	112.3	L87 T88 R93 D94 K99 N101 Y467	L87-Y91 WeakPolarHBondContact O-CB 3.06Å; L87-Y91 PolarHBondContact O-N 3.14Å; T88-Y91 PolarHBondContact O-N 3.43Å; Y91-R93 VanDerWaalsContact C-N 3.34Å; Y91-R93 PolarHBondContact O-N 3.28Å; Y91-D94 PolarHBondContact O-N 3.42Å; Y91-K99 HydrophobicContact CD2-CB 4.25Å; Y91-K99 HydrophobicContact CD2-CD 4Å; Y91-K99 HydrophobicContact CD2-CG 4.03Å; Y91-K99 HydrophobicContact CE2-CB 3.99Å; Y91-K99 HydrophobicContact CE2-CD 3.78Å; Y91-K99 HydrophobicContact CE2-CG 3.47Å; Y91-K99 VanDerWaalsContact CE2-CG 3.47Å; Y91-K99 WeakPolarHBondContact O-CD 3.45Å; Y91-K99 WeakPolarHBondContact O-CE 3.17Å; Y91-K99 PolarHBondContact O-NZ 3.38Å; Y91-N101 HydrophobicContact CD1-CB 4.02Å; Y91-N101 HydrophobicContact CD2-CB 3.64Å; Y91-N101 HydrophobicContact CE1-CB 4.05Å; Y91-N101 HydrophobicContact CE2-CB 3.63Å; Y91-N101 HydrophobicContact CG-CB 3.83Å; Y91-Y467 AromaticContact CD2-CD2 3.77Å; Y91-Y467 HydrophobicContact CD2-CD2 3.77Å; Y91-Y467 HydrophobicContact CD2-CE2 4.27Å; Y91-Y467 HydrophobicContact CD2-CG 4.43Å; Y91-Y467 HydrophobicContact CG-CD2 4.38Å
92	N	91.7	Very high	89.5	Confident	108 Å²	108	69 Å²	69	58%	0.578	35%	0.354	S	S	*	.	H	α-helix	trans	-67.7	-33.8	-180	-73.1	-21.7	0	0	0	112.6	T88 E89 A90	T88-N92 WeakPolarHBondContact O-CB 3.42Å; T88-N92 PolarHBondContact O-N 3.38Å; T88-N92 PolarHBondContact O-ND2 3.19Å; E89-N92 PolarHBondContact O-N 3.03Å; E89-N92 VanDerWaalsContact O-N 3.16Å; A90-N92 VanDerWaalsContact C-N 3.29Å; A90-N92 PolarHBondContact O-N 3.43Å
93	R	93.1	Very high	89.8	Confident	185 Å²	185	66 Å²	66	70%	0.698	34%	0.337	S	S	*	.	H	α-helix	trans	-74.9	-25.4	177.8	-68.7	178.6	-166.7	134	13.2	113.6	E89 A90 Y91	E89-R93 WeakPolarHBondContact O-CG 3.06Å; E89-R93 PolarHBondContact O-N 3.09Å; E89-R93 IonicContact OE2-CZ 3.43Å; E89-R93 IonicContact OE2-NH2 3.44Å; E89-R93 PolarHBondContact OE2-NH2 2.7Å; A90-R93 PolarHBondContact O-N 2.93Å; Y91-R93 VanDerWaalsContact C-N 3.34Å; Y91-R93 PolarHBondContact O-N 3.28Å
94	D	94.4	Very high	89.9	Confident	32 Å²	32	63 Å²	63	17%	0.171	32%	0.318	C	S	.	.			trans	-65.8	134.8	178.9	-168.7	-13	0	0	0	111.5	A90 Y91 N96 K99 S465 Y467	A90-D94 PolarHBondContact O-N 2.79Å; A90-D94 VanDerWaalsContact O-N 3.14Å; Y91-D94 PolarHBondContact O-N 3.42Å; D94-N96 VanDerWaalsContact OD1-CB 3.27Å; D94-N96 WeakPolarHBondContact OD1-CB 3.31Å; D94-N96 PolarHBondContact OD1-N 3.33Å; D94-K99 HydrophobicContact CB-CD 3.88Å; D94-K99 WeakPolarHBondContact O-CE 3.1Å; D94-K99 PolarHBondContact O-NZ 3.02Å; D94-S465 WeakPolarHBondContact OD2-CB 3.37Å; D94-S465 PolarHBondContact OD2-OG 2.96Å; D94-Y467 HydrophobicContact CB-CE2 4.18Å; D94-Y467 WeakPolarHBondContact CB-OH 3.33Å; D94-Y467 PolarHBondContact OD2-OH 3.47Å
95	T	95.3	Very high	90.2	Very high	136 Å²	136	63 Å²	63	83%	0.834	32%	0.324	S	S	*	.			trans	-96.3	-6.6	179.9	56.6	0	0	0	0	113.2	K97	T95-K97 PolarHBondContact O-N 2.8Å
96	N	94.4	Very high	90.6	Very high	57 Å²	57	58.3 Å²	58.3	31%	0.305	30%	0.301	S	S	.	.			trans	-59.9	126.5	176.8	-173.9	-10.3	0	0	0	110.6	D94 M98 K99 S465	D94-N96 VanDerWaalsContact OD1-CB 3.27Å; D94-N96 WeakPolarHBondContact OD1-CB 3.31Å; D94-N96 PolarHBondContact OD1-N 3.33Å; N96-M98 VanDerWaalsContact C-N 3.25Å; N96-M98 PolarHBondContact O-N 2.92Å; N96-M98 PolarHBondContact OD1-N 3.4Å; N96-K99 HydrophobicContact CB-CB 4.45Å; N96-K99 WeakPolarHBondContact O-CB 3.5Å; N96-K99 WeakPolarHBondContact O-CD 3.28Å; N96-K99 WeakPolarHBondContact O-CG 3.49Å; N96-K99 PolarHBondContact O-N 3.31Å; N96-S465 WeakPolarHBondContact CB-OG 3.39Å; N96-S465 WeakPolarHBondContact ND2-CB 3.24Å; N96-S465 PolarHBondContact ND2-OG 3.03Å
97	K	93.4	Very high	91	Very high	205 Å²	205	57.8 Å²	57.8	89%	0.891	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-21.5	179.5	-65.4	-177.1	-179.9	178.3	0	113.2	T95	T95-K97 PolarHBondContact O-N 2.8Å
98	M	92.3	Very high	91.2	Very high	98 Å²	98	59.6 Å²	59.6	48%	0.483	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	3.2	-180	-63	-59	-63.9	0	0	113.3	N96 V100 Y486	N96-M98 VanDerWaalsContact C-N 3.25Å; N96-M98 PolarHBondContact O-N 2.92Å; N96-M98 PolarHBondContact OD1-N 3.4Å; M98-V100 WeakPolarHBondContact O-CG2 3.15Å; M98-Y486 HydrophobicContact CB-CE1 4.12Å; M98-Y486 HydrophobicContact CE-CD1 4.33Å; M98-Y486 HydrophobicContact CE-CD2 4.17Å; M98-Y486 HydrophobicContact CE-CG 3.99Å; M98-Y486 WeakPolarHBondContact O-CE1 3.49Å
99	K	94.9	Very high	91.5	Very high	49 Å²	49	60 Å²	60	21%	0.213	30%	0.3	C	S	.	.			trans	-58.6	138.4	-177.8	66.6	-177.6	-176.7	177.1	0	112.3	Y91 D94 N96 S465 Y467	Y91-K99 HydrophobicContact CD2-CB 4.25Å; Y91-K99 HydrophobicContact CD2-CD 4Å; Y91-K99 HydrophobicContact CD2-CG 4.03Å; Y91-K99 HydrophobicContact CE2-CB 3.99Å; Y91-K99 HydrophobicContact CE2-CD 3.78Å; Y91-K99 HydrophobicContact CE2-CG 3.47Å; Y91-K99 VanDerWaalsContact CE2-CG 3.47Å; Y91-K99 WeakPolarHBondContact O-CD 3.45Å; Y91-K99 WeakPolarHBondContact O-CE 3.17Å; Y91-K99 PolarHBondContact O-NZ 3.38Å; D94-K99 HydrophobicContact CB-CD 3.88Å; D94-K99 WeakPolarHBondContact O-CE 3.1Å; D94-K99 PolarHBondContact O-NZ 3.02Å; N96-K99 HydrophobicContact CB-CB 4.45Å; N96-K99 WeakPolarHBondContact O-CB 3.5Å; N96-K99 WeakPolarHBondContact O-CD 3.28Å; N96-K99 WeakPolarHBondContact O-CG 3.49Å; N96-K99 PolarHBondContact O-N 3.31Å; K99-S465 CarbonylContact C-O 3.56Å; K99-S465 VanDerWaalsContact CA-O 3.23Å; K99-S465 WeakPolarHBondContact CA-O 3.27Å; K99-Y467 HydrophobicContact CB-CE2 4.47Å
100	V	94	Very high	91.6	Very high	6 Å²	6	58.1 Å²	58.1	4%	0.036	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.2	-179.6	-173.1	0	0	0	0	109.9	M98 L102 S465 I466 Y467 N483 Y486	M98-V100 WeakPolarHBondContact O-CG2 3.15Å; V100-L102 HydrophobicContact CG1-CD1 4.49Å; V100-L102 HydrophobicContact CG1-CD2 3.73Å; V100-L102 HydrophobicContact CG1-CG 3.88Å; V100-S465 PolarHBondContact N-O 3.23Å; V100-I466 HydrophobicContact CB-CG1 4.21Å; V100-I466 HydrophobicContact CB-CG2 4.49Å; V100-I466 HydrophobicContact CG2-CG1 4.26Å; V100-Y467 PolarHBondContact O-N 3.07Å; V100-N483 HydrophobicContact CG2-CB 4.14Å; V100-Y486 HydrophobicContact CG2-CD1 4.2Å; V100-Y486 HydrophobicContact CG2-CE1 4.49Å
101	N	93.2	Very high	91.6	Very high	27 Å²	27	62.3 Å²	62.3	14%	0.144	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	105.8	174.5	-169.5	-20.7	0	0	0	110.6	Y91 G103 V104	Y91-N101 HydrophobicContact CD1-CB 4.02Å; Y91-N101 HydrophobicContact CD2-CB 3.64Å; Y91-N101 HydrophobicContact CE1-CB 4.05Å; Y91-N101 HydrophobicContact CE2-CB 3.63Å; Y91-N101 HydrophobicContact CG-CB 3.83Å; N101-G103 PolarHBondContact OD1-N 3.25Å; N101-V104 VanDerWaalsContact ND2-CG2 3.33Å; N101-V104 WeakPolarHBondContact ND2-CG2 3.44Å; N101-V104 PolarHBondContact OD1-N 3.32Å
102	L	93.5	Very high	91.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.32	C	S	.	.			trans	-108.3	8.9	173.7	-55.4	178.3	0	0	0	111.6	V100 I466 Y467 L468 I474 S475 I479 L487	V100-L102 HydrophobicContact CG1-CD1 4.49Å; V100-L102 HydrophobicContact CG1-CD2 3.73Å; V100-L102 HydrophobicContact CG1-CG 3.88Å; L102-I466 HydrophobicContact CD1-CG2 3.71Å; L102-I466 HydrophobicContact CG-CG2 4.41Å; L102-Y467 CarbonylContact C-O 3.54Å; L102-Y467 VanDerWaalsContact CA-O 3.3Å; L102-Y467 WeakPolarHBondContact CA-O 3.47Å; L102-Y467 WeakPolarHBondContact CB-O 3.45Å; L102-Y467 PolarHBondContact N-O 3.47Å; L102-L468 HydrophobicContact CB-CB 4.14Å; L102-I474 HydrophobicContact CB-CG2 4.17Å; L102-I474 HydrophobicContact CD1-CG1 4.4Å; L102-I474 HydrophobicContact CD1-CG2 3.98Å; L102-I474 HydrophobicContact CD2-CG2 4.26Å; L102-I474 HydrophobicContact CG-CG2 4.35Å; L102-S475 WeakPolarHBondContact O-CB 3.38Å; L102-S475 PolarHBondContact O-N 3.42Å; L102-I479 HydrophobicContact CD2-CG1 4.02Å; L102-L487 HydrophobicContact CD1-CD1 3.62Å; L102-L487 HydrophobicContact CD1-CD2 3.82Å; L102-L487 HydrophobicContact CD1-CG 4.39Å; L102-L487 HydrophobicContact CD2-CD2 4.41Å
103	G	87.7	Confident	91.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.32	C	S	.	.			trans	-83.9	-39.9	179.8	0	0	0	0	0	114	I84 L87 N101 G105 Y467 R473	I84-G103 WeakPolarHBondContact CG2-O 3.07Å; L87-G103 VanDerWaalsContact CD2-CA 3.48Å; N101-G103 PolarHBondContact OD1-N 3.25Å; G103-G105 PolarHBondContact O-N 3.27Å; G103-Y467 PolarHBondContact N-O 3.1Å; G103-Y467 VanDerWaalsContact N-O 3.15Å; G103-R473 PolarHBondContact O-NH2 3.44Å
104	V	81.3	Confident	91.3	Very high	25 Å²	25	58.4 Å²	58.4	15%	0.152	32%	0.315	C	S	.	.			trans	-72.2	127.1	-166.7	173.4	0	0	0	0	112.5	T88 N101 A106 S475	T88-V104 HydrophobicContact CG2-CG2 3.92Å; T88-V104 WeakPolarHBondContact OG1-CG2 3.17Å; N101-V104 VanDerWaalsContact ND2-CG2 3.33Å; N101-V104 WeakPolarHBondContact ND2-CG2 3.44Å; N101-V104 PolarHBondContact OD1-N 3.32Å; V104-A106 HydrophobicContact CG1-CB 3.8Å; V104-A106 PolarHBondContact O-N 3.49Å; V104-A106 VanDerWaalsContact O-N 3.13Å; V104-S475 VanDerWaalsContact O-CB 3.24Å; V104-S475 WeakPolarHBondContact O-CB 3.42Å; V104-S475 PolarHBondContact O-OG 3.44Å
105	G	84.6	Confident	91.2	Very high	23 Å²	23	59.4 Å²	59.4	24%	0.237	32%	0.318	C	S	.	.			trans	-83.9	41.9	175.4	0	0	0	0	0	115	G103	G103-G105 PolarHBondContact O-N 3.27Å
106	A	90.5	Very high	91.1	Very high	14 Å²	14	55.2 Å²	55.2	12%	0.116	29%	0.293	C	S	.	.	S	Bend	trans	-133.4	139.2	177.6	0	0	0	0	0	110.5	V104 R108 Y350	V104-A106 HydrophobicContact CG1-CB 3.8Å; V104-A106 PolarHBondContact O-N 3.49Å; V104-A106 VanDerWaalsContact O-N 3.13Å; A106-R108 PolarHBondContact O-NH1 2.89Å; A106-Y350 HydrophobicContact CB-CD1 4.06Å; A106-Y350 HydrophobicContact CB-CE1 3.71Å; A106-Y350 HydrophobicContact CB-CE2 4.21Å; A106-Y350 HydrophobicContact CB-CG 4.48Å
107	Y	92.9	Very high	91.1	Very high	9 Å²	9	52.6 Å²	52.6	4%	0.035	28%	0.279	C	S	.	.			trans	-66	147	-175.8	178	-92.5	0	0	0	110.4	F115 F315 Y350 M413 R416 I417 M446	Y107-F115 HydrophobicContact CD1-CB 3.7Å; Y107-F115 AromaticContact CD1-CD1 3.99Å; Y107-F115 HydrophobicContact CD1-CD1 3.99Å; Y107-F115 HydrophobicContact CD1-CG 4.18Å; Y107-F115 HydrophobicContact CE1-CB 3.69Å; Y107-F115 AromaticContact CE1-CD1 3.55Å; Y107-F115 HydrophobicContact CE1-CD1 3.55Å; Y107-F115 HydrophobicContact CE1-CE1 4.34Å; Y107-F115 AromaticContact CE1-CG 3.74Å; Y107-F115 HydrophobicContact CE1-CG 3.74Å; Y107-F315 HydrophobicContact CD2-CE2 4.24Å; Y107-F315 AromaticContact CD2-CZ 3.8Å; Y107-F315 HydrophobicContact CD2-CZ 3.8Å; Y107-F315 HydrophobicContact CG-CE2 4.48Å; Y107-F315 HydrophobicContact CG-CZ 4.32Å; Y107-Y350 WeakPolarHBondContact CB-OH 3.47Å; Y107-Y350 PolarHBondContact N-OH 3.23Å; Y107-M413 HydrophobicContact CD1-CG 4.14Å; Y107-M413 HydrophobicContact CD1-SD 3.91Å; Y107-M413 HydrophobicContact CD2-CB 4.22Å; Y107-M413 HydrophobicContact CD2-CG 4.32Å; Y107-M413 HydrophobicContact CD2-SD 4.46Å; Y107-M413 HydrophobicContact CE1-CB 4.48Å; Y107-M413 HydrophobicContact CE1-CG 3.73Å; Y107-M413 HydrophobicContact CE1-SD 4.08Å; Y107-M413 HydrophobicContact CE2-CB 3.7Å; Y107-M413 HydrophobicContact CE2-CG 3.86Å; Y107-M413 HydrophobicContact CG-CG 4.42Å; Y107-M413 HydrophobicContact CG-SD 4.11Å; Y107-M413 WeakPolarHBondContact OH-CA 3.41Å; Y107-R416 WeakPolarHBondContact OH-CD 3.07Å; Y107-I417 HydrophobicContact CD2-CD1 4.12Å; Y107-I417 HydrophobicContact CD2-CG1 4.44Å; Y107-I417 HydrophobicContact CE2-CD1 4.37Å; Y107-I417 HydrophobicContact CE2-CG1 4.31Å; Y107-M446 VanDerWaalsContact N-CE 3.32Å
108	R	92.2	Very high	91.2	Very high	58 Å²	58	45 Å²	45	22%	0.219	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-131.9	148.6	177.1	-60.7	-64.9	-179	-97	2.6	109.2	A106 G112 K113 R416	A106-R108 PolarHBondContact O-NH1 2.89Å; R108-G112 WeakPolarHBondContact CD-O 3.45Å; R108-K113 VanDerWaalsContact CA-O 3.24Å; R108-K113 WeakPolarHBondContact CA-O 3.5Å; R108-K113 VanDerWaalsContact CD-C 3.44Å; R108-K113 WeakPolarHBondContact CD-O 3.38Å; R108-R416 PolarHBondContact O-NE 3.03Å
109	D	92.1	Very high	91.2	Very high	39 Å²	39	40.3 Å²	40.3	21%	0.209	23%	0.227	C	C	.	.			trans	-69.8	179.2	166.4	69.3	12.3	0	0	0	111.1	N111 G112 K113 F115 R416	D109-N111 PolarHBondContact O-N 3.15Å; D109-N111 WeakPolarHBondContact OD1-CA 3.36Å; D109-N111 WeakPolarHBondContact OD1-CB 3.45Å; D109-N111 PolarHBondContact OD1-N 2.96Å; D109-G112 PolarHBondContact O-N 2.9Å; D109-G112 PolarHBondContact OD1-N 3.37Å; D109-G112 VanDerWaalsContact OD1-N 3.15Å; D109-K113 PolarHBondContact N-O 3.32Å; D109-K113 PolarHBondContact OD1-N 2.87Å; D109-F115 HydrophobicContact CB-CB 4.46Å; D109-F115 HydrophobicContact CB-CD2 4.12Å; D109-R416 PolarHBondContact O-NH2 3.33Å
110	D	91.4	Very high	91.1	Very high	55 Å²	55	38.1 Å²	38.1	29%	0.294	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.1	-178.7	-156.1	49.3	0	0	0	114.2	G112 R416 S480 T481	D110-G112 VanDerWaalsContact C-N 3.33Å; D110-R416 VanDerWaalsContact CA-NH1 3.29Å; D110-R416 IonicContact OD1-CZ 3.12Å; D110-R416 IonicContact OD1-NH1 2.69Å; D110-R416 PolarHBondContact OD1-NH1 2.64Å; D110-S480 WeakPolarHBondContact O-CB 3.41Å; D110-S480 VanDerWaalsContact OD1-CA 3.32Å; D110-S480 WeakPolarHBondContact OD1-CA 3.37Å; D110-S480 WeakPolarHBondContact OD1-CB 3.38Å; D110-T481 PolarHBondContact OD1-N 3.25Å; D110-T481 VanDerWaalsContact OD1-N 3.1Å; D110-T481 WeakPolarHBondContact OD2-CB 3.42Å; D110-T481 WeakPolarHBondContact OD2-CG2 3.34Å; D110-T481 PolarHBondContact OD2-OG1 2.8Å
111	N	89.9	Confident	90.9	Very high	125 Å²	125	44.4 Å²	44.4	67%	0.668	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	7.5	172.2	-59.5	-52.2	0	0	0	112.2	D109 K113	D109-N111 PolarHBondContact O-N 3.15Å; D109-N111 WeakPolarHBondContact OD1-CA 3.36Å; D109-N111 WeakPolarHBondContact OD1-CB 3.45Å; D109-N111 PolarHBondContact OD1-N 2.96Å; N111-K113 VanDerWaalsContact C-N 3.26Å; N111-K113 HydrophobicContact CB-CG 4.28Å; N111-K113 PolarHBondContact O-N 3.11Å
112	G	87.3	Confident	90.7	Very high	42 Å²	42	47.5 Å²	47.5	43%	0.433	25%	0.253	S	S	.	.	S	Bend	trans	71.2	16.9	-178.4	0	0	0	0	0	114	R108 D109 D110	R108-G112 WeakPolarHBondContact CD-O 3.45Å; D109-G112 PolarHBondContact O-N 2.9Å; D109-G112 PolarHBondContact OD1-N 3.37Å; D109-G112 VanDerWaalsContact OD1-N 3.15Å; D110-G112 VanDerWaalsContact C-N 3.33Å
113	K	90.5	Very high	90.2	Very high	133 Å²	133	47.5 Å²	47.5	58%	0.578	25%	0.253	S	S	*	.			trans	-96.3	152.2	-178.8	-59.2	-61.4	-178.1	-179.4	0	111.9	R108 D109 N111 F115	R108-K113 VanDerWaalsContact CA-O 3.24Å; R108-K113 WeakPolarHBondContact CA-O 3.5Å; R108-K113 VanDerWaalsContact CD-C 3.44Å; R108-K113 WeakPolarHBondContact CD-O 3.38Å; D109-K113 PolarHBondContact N-O 3.32Å; D109-K113 PolarHBondContact OD1-N 2.87Å; N111-K113 VanDerWaalsContact C-N 3.26Å; N111-K113 HydrophobicContact CB-CG 4.28Å; N111-K113 PolarHBondContact O-N 3.11Å; K113-F115 PolarHBondContact O-N 2.96Å
114	P	91.9	Very high	89.6	Confident	93 Å²	93	52.7 Å²	52.7	60%	0.604	27%	0.273	S	S	*	.	B	Isolated β-bridge	trans	-55.1	131.5	170.5	-24.5	34.5	0	0	0	111.4
115	F	92.3	Very high	89	Confident	53 Å²	53	57.8 Å²	57.8	23%	0.232	30%	0.297	C	S	.	.			trans	-106.1	107.5	-176.7	-176.3	-108.1	0	0	0	110.8	Y107 D109 K113 L117 M413	Y107-F115 HydrophobicContact CD1-CB 3.7Å; Y107-F115 AromaticContact CD1-CD1 3.99Å; Y107-F115 HydrophobicContact CD1-CD1 3.99Å; Y107-F115 HydrophobicContact CD1-CG 4.18Å; Y107-F115 HydrophobicContact CE1-CB 3.69Å; Y107-F115 AromaticContact CE1-CD1 3.55Å; Y107-F115 HydrophobicContact CE1-CD1 3.55Å; Y107-F115 HydrophobicContact CE1-CE1 4.34Å; Y107-F115 AromaticContact CE1-CG 3.74Å; Y107-F115 HydrophobicContact CE1-CG 3.74Å; D109-F115 HydrophobicContact CB-CB 4.46Å; D109-F115 HydrophobicContact CB-CD2 4.12Å; K113-F115 PolarHBondContact O-N 2.96Å; F115-L117 HydrophobicContact CD1-CD1 4.16Å; F115-L117 HydrophobicContact CE1-CD1 4.5Å; F115-L117 HydrophobicContact CE1-CG 4.42Å; F115-M413 HydrophobicContact CD1-SD 4.43Å; F115-M413 HydrophobicContact CE1-CG 4.43Å
116	V	93	Very high	87.9	Confident	49 Å²	49	57.6 Å²	57.6	30%	0.297	29%	0.292	S	S	.	.			trans	-82.9	114.9	171.1	-174.5	0	0	0	0	108.5	V120 R121	V116-V120 HydrophobicContact CG1-CB 4.36Å; V116-V120 HydrophobicContact CG1-CG1 4.15Å; V116-R121 HydrophobicContact CB-CG 4.33Å; V116-R121 HydrophobicContact CG1-CG 3.78Å; V116-R121 PolarHBondContact O-NE 3.42Å
117	L	94.4	Very high	86.4	Confident	2 Å²	2	59 Å²	59	1%	0.01	30%	0.297	C	S	.	.			trans	-56.1	138.2	-175.4	-83.9	68.9	0	0	0	111.9	F115 S119 V120 R121 D409 M413	F115-L117 HydrophobicContact CD1-CD1 4.16Å; F115-L117 HydrophobicContact CE1-CD1 4.5Å; F115-L117 HydrophobicContact CE1-CG 4.42Å; L117-S119 VanDerWaalsContact C-N 3.25Å; L117-S119 PolarHBondContact O-N 2.96Å; L117-V120 HydrophobicContact CB-CB 4.33Å; L117-V120 HydrophobicContact CB-CG2 4.06Å; L117-V120 WeakPolarHBondContact O-CB 3.33Å; L117-V120 PolarHBondContact O-N 3.02Å; L117-R121 PolarHBondContact O-N 3.31Å; L117-D409 HydrophobicContact CB-CB 4.39Å; L117-D409 HydrophobicContact CD2-CB 3.82Å; L117-D409 HydrophobicContact CG-CB 4Å; L117-M413 HydrophobicContact CD1-CE 4.23Å; L117-M413 HydrophobicContact CD1-SD 3.85Å; L117-M413 HydrophobicContact CD2-CE 3.84Å; L117-M413 HydrophobicContact CG-CE 4.23Å; L117-M413 HydrophobicContact CG-SD 4.27Å
118	P	94.9	Very high	84.7	Confident	44 Å²	44	65.2 Å²	65.2	29%	0.286	33%	0.326	S	S	.	.	H	α-helix	trans	-50.8	-39.3	172.6	-29.4	34.2	0	0	0	114.4	R121 K122 Q405 D409	P118-R121 PolarHBondContact O-N 2.87Å; P118-K122 WeakPolarHBondContact O-CB 3.21Å; P118-K122 WeakPolarHBondContact O-CG 3.39Å; P118-K122 PolarHBondContact O-N 3.19Å; P118-Q405 HydrophobicContact CB-CG 4.21Å; P118-D409 WeakPolarHBondContact CB-OD1 3.42Å; P118-D409 WeakPolarHBondContact CD-OD1 3.21Å; P118-D409 WeakPolarHBondContact CG-OD1 3.29Å
119	S	93.7	Very high	82.9	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.2	-44.7	173.6	50.1	0	0	0	0	112.7	L117 K122 V123 D409	L117-S119 VanDerWaalsContact C-N 3.25Å; L117-S119 PolarHBondContact O-N 2.96Å; S119-K122 PolarHBondContact O-N 3.45Å; S119-V123 WeakPolarHBondContact O-CG2 2.93Å; S119-V123 PolarHBondContact O-N 3.13Å; S119-D409 WeakPolarHBondContact CB-OD2 3.44Å; S119-D409 PolarHBondContact N-OD2 2.86Å; S119-D409 PolarHBondContact OG-OD2 2.99Å
120	V	91.6	Very high	81.4	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.024	34%	0.338	C	S	.	.	H	α-helix	trans	-66.1	-41.2	175.1	177.3	0	0	0	0	110.8	V116 L117 K122 V123 R124 M347 L349 I396	V116-V120 HydrophobicContact CG1-CB 4.36Å; V116-V120 HydrophobicContact CG1-CG1 4.15Å; L117-V120 HydrophobicContact CB-CB 4.33Å; L117-V120 HydrophobicContact CB-CG2 4.06Å; L117-V120 WeakPolarHBondContact O-CB 3.33Å; L117-V120 PolarHBondContact O-N 3.02Å; V120-K122 VanDerWaalsContact C-N 3.34Å; V120-K122 PolarHBondContact O-N 2.99Å; V120-V123 CarbonylContact O-C 3.58Å; V120-V123 WeakPolarHBondContact O-CB 3.38Å; V120-V123 PolarHBondContact O-N 3.49Å; V120-R124 WeakPolarHBondContact O-CG 3.48Å; V120-R124 PolarHBondContact O-N 3.28Å; V120-M347 VanDerWaalsContact CG2-O 3.32Å; V120-M347 WeakPolarHBondContact CG2-O 3.42Å; V120-L349 HydrophobicContact CG1-CD2 3.88Å; V120-L349 HydrophobicContact CG2-CD2 4.01Å; V120-I396 HydrophobicContact CG2-CD1 3.84Å
121	R	90.5	Very high	80	Confident	137 Å²	137	69.4 Å²	69.4	52%	0.517	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-41.4	173.8	-66.1	-176.8	-173.1	-139.3	0.9	111.7	V116 L117 P118 V123 R124 M125	V116-R121 HydrophobicContact CB-CG 4.33Å; V116-R121 HydrophobicContact CG1-CG 3.78Å; V116-R121 PolarHBondContact O-NE 3.42Å; L117-R121 PolarHBondContact O-N 3.31Å; P118-R121 PolarHBondContact O-N 2.87Å; R121-V123 VanDerWaalsContact C-N 3.3Å; R121-V123 PolarHBondContact O-N 3.44Å; R121-R124 CarbonylContact O-C 3.53Å; R121-R124 WeakPolarHBondContact O-CA 3.22Å; R121-R124 WeakPolarHBondContact O-CB 3.45Å; R121-R124 PolarHBondContact O-N 3.15Å; R121-R124 VanDerWaalsContact O-N 3.09Å; R121-M125 WeakPolarHBondContact O-CG 3.48Å; R121-M125 PolarHBondContact O-N 3.16Å
122	K	87.7	Confident	78.3	Confident	93 Å²	93	70.2 Å²	70.2	40%	0.404	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-37.7	173.9	-77.9	-176.4	179.2	178.5	0	111.2	P118 S119 V120 R124 M125 A126 L402 Q405	P118-K122 WeakPolarHBondContact O-CB 3.21Å; P118-K122 WeakPolarHBondContact O-CG 3.39Å; P118-K122 PolarHBondContact O-N 3.19Å; S119-K122 PolarHBondContact O-N 3.45Å; V120-K122 VanDerWaalsContact C-N 3.34Å; V120-K122 PolarHBondContact O-N 2.99Å; K122-R124 VanDerWaalsContact C-N 3.3Å; K122-M125 PolarHBondContact O-N 3.2Å; K122-A126 WeakPolarHBondContact O-CB 3.44Å; K122-A126 PolarHBondContact O-N 2.8Å; K122-L402 HydrophobicContact CB-CD2 3.7Å; K122-L402 HydrophobicContact CD-CD2 4.48Å; K122-Q405 HydrophobicContact CD-CB 4.44Å; K122-Q405 HydrophobicContact CD-CG 4.1Å
123	V	83	Confident	77.3	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-65.8	-34.4	172.3	-178.4	0	0	0	0	111.3	S119 V120 R121 A126 E127 I392 L395 I396 L402	S119-V123 WeakPolarHBondContact O-CG2 2.93Å; S119-V123 PolarHBondContact O-N 3.13Å; V120-V123 CarbonylContact O-C 3.58Å; V120-V123 WeakPolarHBondContact O-CB 3.38Å; V120-V123 PolarHBondContact O-N 3.49Å; R121-V123 VanDerWaalsContact C-N 3.3Å; R121-V123 PolarHBondContact O-N 3.44Å; V123-A126 CarbonylContact O-C 3.58Å; V123-A126 WeakPolarHBondContact O-CA 3.29Å; V123-A126 PolarHBondContact O-N 2.71Å; V123-E127 PolarHBondContact O-N 3.41Å; V123-I392 HydrophobicContact CB-CG2 4.33Å; V123-I392 HydrophobicContact CG1-CB 4.24Å; V123-I392 HydrophobicContact CG1-CG1 4.02Å; V123-I392 HydrophobicContact CG1-CG2 4Å; V123-L395 HydrophobicContact CG1-CB 4.45Å; V123-L395 HydrophobicContact CG1-CD1 3.97Å; V123-I396 HydrophobicContact CG2-CD1 3.96Å; V123-I396 HydrophobicContact CG2-CG1 3.39Å; V123-L402 HydrophobicContact CG2-CD1 3.68Å; V123-L402 HydrophobicContact CG2-CD2 4.15Å; V123-L402 HydrophobicContact CG2-CG 4.44Å
124	R	75.8	Confident	76.1	Confident	108 Å²	108	75.1 Å²	75.1	41%	0.408	37%	0.368	S	S	.	.	H	α-helix	trans	-73.6	-33.3	174	-69.3	-178	175.6	-173	-2.6	113.8	V120 R121 K122 A126 E127	V120-R124 WeakPolarHBondContact O-CG 3.48Å; V120-R124 PolarHBondContact O-N 3.28Å; R121-R124 CarbonylContact O-C 3.53Å; R121-R124 WeakPolarHBondContact O-CA 3.22Å; R121-R124 WeakPolarHBondContact O-CB 3.45Å; R121-R124 PolarHBondContact O-N 3.15Å; R121-R124 VanDerWaalsContact O-N 3.09Å; K122-R124 VanDerWaalsContact C-N 3.3Å; R124-A126 VanDerWaalsContact C-N 3.32Å; R124-E127 WeakPolarHBondContact O-CA 3.42Å; R124-E127 WeakPolarHBondContact O-CB 3.18Å; R124-E127 PolarHBondContact O-N 3.4Å
125	M	69.8	Low	75.1	Confident	133 Å²	133	74.3 Å²	74.3	66%	0.655	36%	0.358	S	S	*	.	H	α-helix	trans	-68.1	-41.9	168.4	-70.4	170	162.9	0	0	109.1	R121 K122 E127 E128	R121-M125 WeakPolarHBondContact O-CG 3.48Å; R121-M125 PolarHBondContact O-N 3.16Å; K122-M125 PolarHBondContact O-N 3.2Å; M125-E127 PolarHBondContact O-N 2.59Å; M125-E128 WeakPolarHBondContact O-CB 3.4Å; M125-E128 VanDerWaalsContact O-CG 3.28Å; M125-E128 WeakPolarHBondContact O-CG 3.34Å; M125-E128 PolarHBondContact O-N 3.09Å
126	A	60	Low	74.5	Confident	18 Å²	18	76 Å²	76	15%	0.149	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	4.4	163.8	0	0	0	0	0	113.2	K122 V123 R124 E128 I129 L130	K122-A126 WeakPolarHBondContact O-CB 3.44Å; K122-A126 PolarHBondContact O-N 2.8Å; V123-A126 CarbonylContact O-C 3.58Å; V123-A126 WeakPolarHBondContact O-CA 3.29Å; V123-A126 PolarHBondContact O-N 2.71Å; R124-A126 VanDerWaalsContact C-N 3.32Å; A126-E128 PolarHBondContact O-N 3.03Å; A126-I129 VanDerWaalsContact C-N 3.26Å; A126-I129 HydrophobicContact CB-CB 4.19Å; A126-I129 HydrophobicContact CB-CD1 3.76Å; A126-I129 HydrophobicContact CB-CG1 4.04Å; A126-I129 CarbonylContact O-C 3.58Å; A126-I129 WeakPolarHBondContact O-CA 3.49Å; A126-I129 WeakPolarHBondContact O-CB 3.42Å; A126-I129 PolarHBondContact O-N 2.68Å; A126-L130 PolarHBondContact O-N 2.77Å
127	E	58.6	Low	74.2	Confident	44 Å²	44	82.3 Å²	82.3	21%	0.206	39%	0.393	C	S	.	.	H	α-helix	trans	-72.3	-19.4	164.2	-82.2	163.8	178.4	0	0	107.3	V123 R124 M125 I129 L130 V131 H388	V123-E127 PolarHBondContact O-N 3.41Å; R124-E127 WeakPolarHBondContact O-CA 3.42Å; R124-E127 WeakPolarHBondContact O-CB 3.18Å; R124-E127 PolarHBondContact O-N 3.4Å; M125-E127 PolarHBondContact O-N 2.59Å; E127-I129 PolarHBondContact O-N 3.33Å; E127-L130 HydrophobicContact CG-CB 4.41Å; E127-L130 HydrophobicContact CG-CD1 3.75Å; E127-L130 CarbonylContact O-C 3.35Å; E127-L130 PolarHBondContact O-N 3.07Å; E127-L130 VanDerWaalsContact O-N 3.08Å; E127-V131 WeakPolarHBondContact O-CA 3.43Å; E127-V131 WeakPolarHBondContact O-CB 3.43Å; E127-V131 WeakPolarHBondContact O-CG2 3.46Å; E127-V131 PolarHBondContact O-N 2.77Å; E127-H388 IonicContact OE1-CE1 3.52Å; E127-H388 PolarHBondContact OE1-CE1 3.16Å; E127-H388 IonicContact OE1-NE2 3.97Å; E127-H388 PolarHBondContact OE1-NE2 2.84Å
128	E	57.1	Low	74.1	Confident	140 Å²	140	88.6 Å²	88.6	65%	0.654	42%	0.423	S	S	*	.	H	α-helix	trans	-55	-39.2	157.9	-62.1	173	176.6	0	0	110	M125 A126 E132	M125-E128 WeakPolarHBondContact O-CB 3.4Å; M125-E128 VanDerWaalsContact O-CG 3.28Å; M125-E128 WeakPolarHBondContact O-CG 3.34Å; M125-E128 PolarHBondContact O-N 3.09Å; A126-E128 PolarHBondContact O-N 3.03Å; E128-E132 WeakPolarHBondContact O-CA 3.44Å; E128-E132 WeakPolarHBondContact O-CB 3.41Å; E128-E132 WeakPolarHBondContact O-CG 3.14Å; E128-E132 PolarHBondContact O-N 2.95Å
129	I	55.9	Low	73.9	Confident	104 Å²	104	95.7 Å²	95.7	53%	0.533	45%	0.445	S	S	.	.	H	α-helix	trans	-69.3	-35.9	170.8	-55	175.5	0	0	0	112.7	A126 E127 A133	A126-I129 VanDerWaalsContact C-N 3.26Å; A126-I129 HydrophobicContact CB-CB 4.19Å; A126-I129 HydrophobicContact CB-CD1 3.76Å; A126-I129 HydrophobicContact CB-CG1 4.04Å; A126-I129 CarbonylContact O-C 3.58Å; A126-I129 WeakPolarHBondContact O-CA 3.49Å; A126-I129 WeakPolarHBondContact O-CB 3.42Å; A126-I129 PolarHBondContact O-N 2.68Å; E127-I129 PolarHBondContact O-N 3.33Å; I129-A133 WeakPolarHBondContact O-CA 3.49Å; I129-A133 WeakPolarHBondContact O-CB 3.21Å; I129-A133 PolarHBondContact O-N 2.88Å
130	L	59.8	Low	73.9	Confident	27 Å²	27	96.4 Å²	96.4	14%	0.141	45%	0.451	C	S	.	.	H	α-helix	trans	-73.6	-34	175.7	-73.4	168.2	0	0	0	112.8	A126 E127 R134 L135 L395	A126-L130 PolarHBondContact O-N 2.77Å; E127-L130 HydrophobicContact CG-CB 4.41Å; E127-L130 HydrophobicContact CG-CD1 3.75Å; E127-L130 CarbonylContact O-C 3.35Å; E127-L130 PolarHBondContact O-N 3.07Å; E127-L130 VanDerWaalsContact O-N 3.08Å; L130-R134 PolarHBondContact O-N 3.17Å; L130-L135 HydrophobicContact CD2-CD1 3.43Å; L130-L135 VanDerWaalsContact CD2-CD1 3.43Å; L130-L135 PolarHBondContact O-N 3.36Å; L130-L395 HydrophobicContact CD1-CD1 3.83Å; L130-L395 HydrophobicContact CD2-CD1 3.79Å; L130-L395 HydrophobicContact CG-CD1 3.84Å
131	V	61.5	Low	74	Confident	108 Å²	108	98.5 Å²	98.5	66%	0.655	47%	0.473	S	S	*	.	H	α-helix	trans	-74.7	-41.9	175.6	170.6	0	0	0	0	109.3	E127 R134	E127-V131 WeakPolarHBondContact O-CA 3.43Å; E127-V131 WeakPolarHBondContact O-CB 3.43Å; E127-V131 WeakPolarHBondContact O-CG2 3.46Å; E127-V131 PolarHBondContact O-N 2.77Å; V131-R134 WeakPolarHBondContact O-CA 3.4Å; V131-R134 WeakPolarHBondContact O-CG 3.45Å; V131-R134 PolarHBondContact O-N 2.89Å
132	E	56.1	Low	74.4	Confident	143 Å²	143	94.7 Å²	94.7	67%	0.668	46%	0.462	S	S	*	.	H	α-helix	trans	-66.2	-37.6	171.1	-81.3	176.4	168.4	0	0	111.6	E128 R134	E128-E132 WeakPolarHBondContact O-CA 3.44Å; E128-E132 WeakPolarHBondContact O-CB 3.41Å; E128-E132 WeakPolarHBondContact O-CG 3.14Å; E128-E132 PolarHBondContact O-N 2.95Å; E132-R134 PolarHBondContact O-N 3.09Å
133	A	65.2	Low	74.8	Confident	53 Å²	53	91.2 Å²	91.2	44%	0.438	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-7	170.7	0	0	0	0	0	112.2	I129 L135	I129-A133 WeakPolarHBondContact O-CA 3.49Å; I129-A133 WeakPolarHBondContact O-CB 3.21Å; I129-A133 PolarHBondContact O-N 2.88Å; A133-L135 HydrophobicContact CB-CD1 4.49Å; A133-L135 HydrophobicContact CB-CD2 3.98Å; A133-L135 HydrophobicContact CB-CG 3.78Å; A133-L135 PolarHBondContact O-N 3.48Å
134	R	65.4	Low	75.5	Confident	224 Å²	224	91.4 Å²	91.4	85%	0.845	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.8	39.3	179.1	-65.7	179.6	-177.9	-174.9	0.5	111.3	L130 V131 E132 D136	L130-R134 PolarHBondContact O-N 3.17Å; V131-R134 WeakPolarHBondContact O-CA 3.4Å; V131-R134 WeakPolarHBondContact O-CG 3.45Å; V131-R134 PolarHBondContact O-N 2.89Å; E132-R134 PolarHBondContact O-N 3.09Å; R134-D136 PolarHBondContact O-N 3Å
135	L	71.9	Confident	76.5	Confident	76 Å²	76	87.5 Å²	87.5	40%	0.398	44%	0.44	S	S	.	.			trans	-64	130.8	-175	-64.4	-176.8	0	0	0	108.3	L130 A133	L130-L135 HydrophobicContact CD2-CD1 3.43Å; L130-L135 VanDerWaalsContact CD2-CD1 3.43Å; L130-L135 PolarHBondContact O-N 3.36Å; A133-L135 HydrophobicContact CB-CD1 4.49Å; A133-L135 HydrophobicContact CB-CD2 3.98Å; A133-L135 HydrophobicContact CB-CG 3.78Å; A133-L135 PolarHBondContact O-N 3.48Å
136	D	79	Confident	77.7	Confident	88 Å²	88	85.6 Å²	85.6	47%	0.471	44%	0.437	S	S	.	.			trans	-58.9	166.1	179.8	65.4	64.3	0	0	0	112	R134 E138 R391	R134-D136 PolarHBondContact O-N 3Å; D136-E138 HydrophobicContact CB-CG 3.94Å; D136-E138 WeakPolarHBondContact OD1-CB 3.22Å; D136-E138 PolarHBondContact OD1-N 3.41Å; D136-R391 VanDerWaalsContact O-CZ 3.3Å; D136-R391 PolarHBondContact O-NH1 3.29Å; D136-R391 PolarHBondContact O-NH2 3.25Å; D136-R391 IonicContact OD1-NH2 3.96Å
137	K	86.7	Confident	79.4	Confident	183 Å²	183	89.9 Å²	89.9	80%	0.796	45%	0.454	S	S	*	.			trans	-110.9	29.8	170.4	-63.2	-171.9	-176.3	-64.6	0	110.8	I387	K137-I387 HydrophobicContact CB-CD1 4.49Å
138	E	91.3	Very high	81.3	Confident	134 Å²	134	87.8 Å²	87.8	63%	0.626	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-67	163.1	178.7	-64	-51.9	129.6	0	0	111	D136 A140	D136-E138 HydrophobicContact CB-CG 3.94Å; D136-E138 WeakPolarHBondContact OD1-CB 3.22Å; D136-E138 PolarHBondContact OD1-N 3.41Å; E138-A140 PolarHBondContact O-N 3.32Å
139	Y	92.3	Very high	83.2	Confident	193 Å²	193	81.6 Å²	81.6	76%	0.757	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-56.5	133	173.5	-68.4	-59.5	0	0	0	111.1	N384	Y139-N384 WeakPolarHBondContact CD1-ND2 3.19Å
140	A	92.1	Very high	85.2	Confident	15 Å²	15	80.2 Å²	80.2	12%	0.124	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-63.1	158.3	164	0	0	0	0	0	110	E138 N384 I387	E138-A140 PolarHBondContact O-N 3.32Å; A140-N384 HydrophobicContact CB-CB 4.49Å; A140-N384 VanDerWaalsContact O-CB 3.31Å; A140-N384 WeakPolarHBondContact O-CB 3.47Å; A140-I387 HydrophobicContact CB-CG2 3.85Å
141	G	95.1	Very high	87	Confident	47 Å²	47	79.4 Å²	79.4	49%	0.485	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-56.6	155.9	162.6	0	0	0	0	0	110.8	A143 G144	G141-A143 PolarHBondContact O-N 3Å; G141-A143 VanDerWaalsContact O-N 3.12Å; G141-G144 WeakPolarHBondContact O-CA 3.41Å; G141-G144 PolarHBondContact O-N 3.29Å
142	I	97.4	Very high	88.7	Confident	58 Å²	58	74.3 Å²	74.3	30%	0.297	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-36.1	-179	-60.4	172.2	0	0	0	111.6	G144 K375 I378	I142-G144 VanDerWaalsContact C-N 3.26Å; I142-G144 PolarHBondContact O-N 3.41Å; I142-K375 HydrophobicContact CB-CB 4.36Å; I142-K375 HydrophobicContact CB-CG 4.2Å; I142-K375 HydrophobicContact CG2-CB 3.79Å; I142-K375 HydrophobicContact CG2-CG 3.99Å; I142-K375 WeakPolarHBondContact CG2-O 3.44Å; I142-I378 HydrophobicContact CG2-CB 3.84Å; I142-I378 HydrophobicContact CG2-CG2 3.77Å; I142-I378 WeakPolarHBondContact O-CG2 3.45Å
143	A	97.7	Very high	90.7	Very high	20 Å²	20	67.6 Å²	67.6	17%	0.165	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.5	176.7	0	0	0	0	0	114.1	G141 V172 Q173 L371 K375	G141-A143 PolarHBondContact O-N 3Å; G141-A143 VanDerWaalsContact O-N 3.12Å; A143-V172 HydrophobicContact CB-CB 4.48Å; A143-V172 HydrophobicContact CB-CG1 3.91Å; A143-V172 CarbonylContact O-C 3.53Å; A143-V172 WeakPolarHBondContact O-CA 3.36Å; A143-Q173 PolarHBondContact O-N 3.44Å; A143-L371 HydrophobicContact CB-CD1 4.33Å; A143-K375 HydrophobicContact CB-CG 4.44Å
144	G	97.5	Very high	92.3	Very high	4 Å²	4	69.5 Å²	69.5	4%	0.041	34%	0.341	C	S	.	.			trans	95.2	-164.5	-173.1	0	0	0	0	0	114.4	G141 I142 P146 P385	G141-G144 WeakPolarHBondContact O-CA 3.41Å; G141-G144 PolarHBondContact O-N 3.29Å; I142-G144 VanDerWaalsContact C-N 3.26Å; I142-G144 PolarHBondContact O-N 3.41Å; G144-P146 WeakPolarHBondContact O-CD 3.32Å; G144-P385 VanDerWaalsContact CA-CG 3.48Å
145	I	95.9	Very high	93.8	Very high	26 Å²	26	59.6 Å²	59.6	13%	0.133	31%	0.305	C	S	.	.			trans	-78.3	114.1	178.7	-59.5	178.5	0	0	0	108.8	Q147 F148 C149 I387 A390 R391	I145-Q147 VanDerWaalsContact C-N 3.27Å; I145-Q147 HydrophobicContact CG2-CB 4.47Å; I145-Q147 VanDerWaalsContact CG2-OE1 3.31Å; I145-Q147 PolarHBondContact O-N 2.78Å; I145-F148 HydrophobicContact CB-CB 4.05Å; I145-F148 HydrophobicContact CG2-CB 4.26Å; I145-F148 WeakPolarHBondContact O-CB 3.43Å; I145-F148 PolarHBondContact O-N 2.99Å; I145-C149 PolarHBondContact O-N 2.89Å; I145-C149 VanDerWaalsContact O-N 3.09Å; I145-I387 HydrophobicContact CD1-CB 4.15Å; I145-I387 HydrophobicContact CD1-CG2 4.24Å; I145-A390 HydrophobicContact CD1-CB 3.94Å; I145-R391 HydrophobicContact CD1-CG 3.74Å
146	P	96.4	Very high	95	Very high	93 Å²	93	56 Å²	56	60%	0.604	29%	0.286	S	S	*	.	H	α-helix	trans	-55.5	-40.5	-174.2	-27.8	36.1	0	0	0	113.5	G144 F148 C149 D150	G144-P146 WeakPolarHBondContact O-CD 3.32Å; P146-F148 VanDerWaalsContact C-N 3.32Å; P146-F148 PolarHBondContact O-N 3.2Å; P146-C149 PolarHBondContact O-N 3.08Å; P146-D150 WeakPolarHBondContact O-CB 3.31Å; P146-D150 PolarHBondContact O-N 3.16Å
147	Q	95.4	Very high	95.9	Very high	107 Å²	107	52 Å²	52	50%	0.5	26%	0.264	S	S	.	.	H	α-helix	trans	-67.7	-31.1	-179.3	-57.6	82.3	-5.3	0	0	112.6	I145 A151 H394	I145-Q147 VanDerWaalsContact C-N 3.27Å; I145-Q147 HydrophobicContact CG2-CB 4.47Å; I145-Q147 VanDerWaalsContact CG2-OE1 3.31Å; I145-Q147 PolarHBondContact O-N 2.78Å; Q147-A151 WeakPolarHBondContact O-CB 3.37Å; Q147-A151 PolarHBondContact O-N 2.63Å; Q147-A151 VanDerWaalsContact O-N 3.16Å; Q147-H394 VanDerWaalsContact CB-CE1 3.47Å; Q147-H394 WeakPolarHBondContact CB-CE1 3.28Å; Q147-H394 PolarHBondContact O-ND1 3.44Å; Q147-H394 VanDerWaalsContact O-ND1 3.08Å
148	F	97.2	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-70.5	-47.9	171.9	161.6	-96.9	0	0	0	110.8	I145 P146 D150 A151 A152 Q173 F343 V354 G355 A356 A390 T393 H394	I145-F148 HydrophobicContact CB-CB 4.05Å; I145-F148 HydrophobicContact CG2-CB 4.26Å; I145-F148 WeakPolarHBondContact O-CB 3.43Å; I145-F148 PolarHBondContact O-N 2.99Å; P146-F148 VanDerWaalsContact C-N 3.32Å; P146-F148 PolarHBondContact O-N 3.2Å; F148-D150 VanDerWaalsContact C-N 3.27Å; F148-D150 PolarHBondContact O-N 3.2Å; F148-A151 PolarHBondContact O-N 3.49Å; F148-A152 HydrophobicContact CE2-CB 4.48Å; F148-A152 HydrophobicContact CZ-CB 4.32Å; F148-A152 WeakPolarHBondContact O-CB 3.33Å; F148-A152 PolarHBondContact O-N 3.1Å; F148-Q173 HydrophobicContact CD1-CB 3.95Å; F148-Q173 HydrophobicContact CD1-CG 3.88Å; F148-Q173 HydrophobicContact CE1-CB 3.83Å; F148-Q173 HydrophobicContact CE1-CG 3.59Å; F148-F343 HydrophobicContact CE2-CD2 4.06Å; F148-F343 AromaticContact CE2-CE2 3.76Å; F148-F343 HydrophobicContact CE2-CE2 3.76Å; F148-F343 HydrophobicContact CZ-CD2 4.02Å; F148-F343 AromaticContact CZ-CE2 3.66Å; F148-F343 HydrophobicContact CZ-CE2 3.66Å; F148-V354 HydrophobicContact CD2-CG2 4.43Å; F148-V354 HydrophobicContact CE1-CG2 4.43Å; F148-V354 HydrophobicContact CE2-CG2 3.47Å; F148-V354 VanDerWaalsContact CE2-CG2 3.47Å; F148-V354 HydrophobicContact CZ-CG2 3.48Å; F148-V354 VanDerWaalsContact CZ-CG2 3.48Å; F148-G355 VanDerWaalsContact CE1-O 3.32Å; F148-G355 WeakPolarHBondContact CE1-O 3.38Å; F148-G355 WeakPolarHBondContact CZ-O 3.4Å; F148-A356 HydrophobicContact CE1-CB 4.33Å; F148-A390 HydrophobicContact CB-CB 4.08Å; F148-A390 HydrophobicContact CD1-CB 4.05Å; F148-A390 HydrophobicContact CD2-CB 3.98Å; F148-A390 WeakPolarHBondContact CD2-O 3.38Å; F148-A390 HydrophobicContact CE2-CB 4.47Å; F148-A390 HydrophobicContact CG-CB 3.74Å; F148-T393 HydrophobicContact CD2-CG2 3.95Å; F148-T393 HydrophobicContact CE2-CG2 3.55Å; F148-H394 HydrophobicContact CB-CB 4.24Å
149	C	98	Very high	96.3	Very high	10 Å²	10	40.4 Å²	40.4	7%	0.068	23%	0.228	C	C	.	.	H	α-helix	trans	-56.9	-43.7	178.2	-67.1	0	0	0	0	111.6	I145 P146 A152 V153 T171 Q173	I145-C149 PolarHBondContact O-N 2.89Å; I145-C149 VanDerWaalsContact O-N 3.09Å; P146-C149 PolarHBondContact O-N 3.08Å; C149-A152 PolarHBondContact O-N 3.29Å; C149-V153 WeakPolarHBondContact O-CG1 3.31Å; C149-V153 PolarHBondContact O-N 3.08Å; C149-V153 VanDerWaalsContact O-N 3.08Å; C149-T171 HydrophobicContact CB-CG2 3.82Å; C149-Q173 PolarHBondContact SG-N 3.37Å
150	D	97.4	Very high	96.2	Very high	75 Å²	75	37.9 Å²	37.9	40%	0.401	23%	0.227	S	C	.	.	H	α-helix	trans	-61.4	-43.2	177.2	-171.7	76.4	0	0	0	112.7	P146 F148 V153 R154	P146-D150 WeakPolarHBondContact O-CB 3.31Å; P146-D150 PolarHBondContact O-N 3.16Å; F148-D150 VanDerWaalsContact C-N 3.27Å; F148-D150 PolarHBondContact O-N 3.2Å; D150-V153 WeakPolarHBondContact O-CG1 3.37Å; D150-R154 VanDerWaalsContact CG-CZ 3.49Å; D150-R154 PolarHBondContact O-N 3.23Å; D150-R154 PolarHBondContact O-NH1 2.86Å; D150-R154 IonicContact OD1-CZ 2.8Å; D150-R154 VanDerWaalsContact OD1-CZ 3.3Å; D150-R154 IonicContact OD1-NH1 2.78Å; D150-R154 PolarHBondContact OD1-NH1 3.35Å; D150-R154 IonicContact OD1-NH2 3.24Å; D150-R154 PolarHBondContact OD1-NH2 3.41Å; D150-R154 VanDerWaalsContact OD1-NH2 3.1Å; D150-R154 IonicContact OD2-CZ 3.03Å; D150-R154 IonicContact OD2-NE 2.63Å; D150-R154 IonicContact OD2-NH1 3.04Å; D150-R154 PolarHBondContact OD2-NH1 3.08Å; D150-R154 IonicContact OD2-NH2 3.99Å; D150-R154 PolarHBondContact OD2-NH2 2.92Å
151	A	97.6	Very high	96.3	Very high	11 Å²	11	38.8 Å²	38.8	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-70.6	-41	176	0	0	0	0	0	112.7	Q147 F148 L155 L397 T398	Q147-A151 WeakPolarHBondContact O-CB 3.37Å; Q147-A151 PolarHBondContact O-N 2.63Å; Q147-A151 VanDerWaalsContact O-N 3.16Å; F148-A151 PolarHBondContact O-N 3.49Å; A151-L155 PolarHBondContact O-N 3.43Å; A151-L155 VanDerWaalsContact O-N 3.12Å; A151-L397 HydrophobicContact CB-CB 4.13Å; A151-L397 HydrophobicContact CB-CD1 3.97Å; A151-T398 HydrophobicContact CB-CG2 4.23Å
152	A	98.2	Very high	96.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-45	-179.5	0	0	0	0	0	112.1	F148 C149 L155 A156 Q341 F343 A356	F148-A152 HydrophobicContact CE2-CB 4.48Å; F148-A152 HydrophobicContact CZ-CB 4.32Å; F148-A152 WeakPolarHBondContact O-CB 3.33Å; F148-A152 PolarHBondContact O-N 3.1Å; C149-A152 PolarHBondContact O-N 3.29Å; A152-L155 WeakPolarHBondContact O-CB 3.49Å; A152-L155 PolarHBondContact O-N 2.98Å; A152-A156 PolarHBondContact O-N 3.44Å; A152-Q341 PolarHBondContact O-NE2 3.43Å; A152-Q341 PolarHBondContact O-OE1 3.03Å; A152-F343 HydrophobicContact CB-CE2 3.94Å; A152-F343 HydrophobicContact CB-CZ 3.71Å; A152-A356 HydrophobicContact CB-CB 4.06Å
153	V	97.9	Very high	96.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-70.5	-37.5	179.7	72.3	0	0	0	0	112.1	C149 D150 L155 A156 F157 L164 T171 T358	C149-V153 WeakPolarHBondContact O-CG1 3.31Å; C149-V153 PolarHBondContact O-N 3.08Å; C149-V153 VanDerWaalsContact O-N 3.08Å; D150-V153 WeakPolarHBondContact O-CG1 3.37Å; V153-L155 VanDerWaalsContact C-N 3.29Å; V153-L155 PolarHBondContact O-N 2.84Å; V153-A156 PolarHBondContact O-N 3.43Å; V153-F157 HydrophobicContact CG2-CD1 4.48Å; V153-F157 HydrophobicContact CG2-CD2 3.67Å; V153-F157 HydrophobicContact CG2-CE1 4.45Å; V153-F157 HydrophobicContact CG2-CE2 3.63Å; V153-F157 HydrophobicContact CG2-CG 4.12Å; V153-F157 HydrophobicContact CG2-CZ 4.04Å; V153-F157 PolarHBondContact O-N 3.26Å; V153-L164 HydrophobicContact CB-CD2 4.35Å; V153-L164 HydrophobicContact CG1-CD2 3.65Å; V153-L164 HydrophobicContact CG2-CD2 3.8Å; V153-T171 HydrophobicContact CB-CG2 4.36Å; V153-T358 HydrophobicContact CG2-CG2 4.01Å
154	R	97.6	Very high	96.2	Very high	93 Å²	93	37.7 Å²	37.7	35%	0.351	21%	0.214	S	C	.	.	H	α-helix	trans	-60.5	-37.8	173.4	-86.3	177.8	-171.9	70.2	-17.2	112.6	D150 A156 G158 L164	D150-R154 VanDerWaalsContact CG-CZ 3.49Å; D150-R154 PolarHBondContact O-N 3.23Å; D150-R154 PolarHBondContact O-NH1 2.86Å; D150-R154 IonicContact OD1-CZ 2.8Å; D150-R154 VanDerWaalsContact OD1-CZ 3.3Å; D150-R154 IonicContact OD1-NH1 2.78Å; D150-R154 PolarHBondContact OD1-NH1 3.35Å; D150-R154 IonicContact OD1-NH2 3.24Å; D150-R154 PolarHBondContact OD1-NH2 3.41Å; D150-R154 VanDerWaalsContact OD1-NH2 3.1Å; D150-R154 IonicContact OD2-CZ 3.03Å; D150-R154 IonicContact OD2-NE 2.63Å; D150-R154 IonicContact OD2-NH1 3.04Å; D150-R154 PolarHBondContact OD2-NH1 3.08Å; D150-R154 IonicContact OD2-NH2 3.99Å; D150-R154 PolarHBondContact OD2-NH2 2.92Å; R154-A156 VanDerWaalsContact C-N 3.34Å; R154-A156 PolarHBondContact O-N 2.93Å; R154-G158 CarbonylContact O-C 3.54Å; R154-G158 VanDerWaalsContact O-CA 3.31Å; R154-G158 WeakPolarHBondContact O-CA 3.33Å; R154-G158 PolarHBondContact O-N 3.14Å; R154-L164 HydrophobicContact CB-CD1 4.43Å; R154-L164 HydrophobicContact CG-CD1 3.59Å
155	L	97.5	Very high	96.1	Very high	17 Å²	17	42.2 Å²	42.2	9%	0.089	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-42.4	176.7	-177.2	71.5	0	0	0	111.8	A151 A152 V153 Q313 L320 R328 F343 L397 W406	A151-L155 PolarHBondContact O-N 3.43Å; A151-L155 VanDerWaalsContact O-N 3.12Å; A152-L155 WeakPolarHBondContact O-CB 3.49Å; A152-L155 PolarHBondContact O-N 2.98Å; V153-L155 VanDerWaalsContact C-N 3.29Å; V153-L155 PolarHBondContact O-N 2.84Å; L155-Q313 PolarHBondContact O-NE2 3.35Å; L155-L320 HydrophobicContact CD1-CD1 3.82Å; L155-L320 HydrophobicContact CD1-CD2 4.29Å; L155-R328 PolarHBondContact O-NH2 3.44Å; L155-F343 HydrophobicContact CD2-CE1 3.8Å; L155-L397 HydrophobicContact CD1-CD2 4.18Å; L155-L397 HydrophobicContact CD2-CD2 4.03Å; L155-W406 HydrophobicContact CD1-CH2 4.09Å; L155-W406 HydrophobicContact CD1-CZ3 4.18Å; L155-W406 HydrophobicContact CD2-CH2 3.99Å
156	A	98	Very high	96.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-74.1	-50.8	178.1	0	0	0	0	0	112.6	A152 V153 R154 M310 R328 L339	A152-A156 PolarHBondContact O-N 3.44Å; V153-A156 PolarHBondContact O-N 3.43Å; R154-A156 VanDerWaalsContact C-N 3.34Å; R154-A156 PolarHBondContact O-N 2.93Å; A156-M310 HydrophobicContact CB-CE 4.41Å; A156-M310 HydrophobicContact CB-SD 3.96Å; A156-R328 PolarHBondContact O-NE 3.47Å; A156-L339 HydrophobicContact CB-CD2 3.51Å
157	F	97.7	Very high	96	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.013	27%	0.265	C	S	.	.	H	α-helix	trans	-83.4	-18.9	-168.5	-66.5	1.4	0	0	0	113.1	V153 H161 V163 L164 V327 L331 L337 L339 T358 V360	V153-F157 HydrophobicContact CG2-CD1 4.48Å; V153-F157 HydrophobicContact CG2-CD2 3.67Å; V153-F157 HydrophobicContact CG2-CE1 4.45Å; V153-F157 HydrophobicContact CG2-CE2 3.63Å; V153-F157 HydrophobicContact CG2-CG 4.12Å; V153-F157 HydrophobicContact CG2-CZ 4.04Å; V153-F157 PolarHBondContact O-N 3.26Å; F157-H161 HydrophobicContact CB-CB 4.06Å; F157-V163 HydrophobicContact CD2-CB 4.47Å; F157-V163 HydrophobicContact CD2-CG1 4.03Å; F157-V163 HydrophobicContact CE2-CG1 3.77Å; F157-L164 HydrophobicContact CB-CD1 4.43Å; F157-L164 HydrophobicContact CD2-CD2 3.96Å; F157-L164 HydrophobicContact CD2-CG 4.38Å; F157-V327 HydrophobicContact CD1-CG1 3.82Å; F157-V327 HydrophobicContact CE1-CG1 3.69Å; F157-L331 HydrophobicContact CB-CD1 4.07Å; F157-L331 HydrophobicContact CD1-CD1 3.49Å; F157-L331 VanDerWaalsContact CD1-CD1 3.49Å; F157-L331 HydrophobicContact CD2-CD1 3.83Å; F157-L331 HydrophobicContact CE1-CD1 3.76Å; F157-L331 HydrophobicContact CE2-CD1 4.09Å; F157-L331 HydrophobicContact CG-CD1 3.53Å; F157-L331 HydrophobicContact CZ-CD1 4.06Å; F157-L331 HydrophobicContact CZ-CD2 4.46Å; F157-L337 HydrophobicContact CZ-CD1 4.31Å; F157-L339 HydrophobicContact CD1-CD2 4.42Å; F157-L339 HydrophobicContact CE1-CD2 3.75Å; F157-T358 HydrophobicContact CE2-CG2 4.09Å; F157-T358 HydrophobicContact CZ-CG2 3.79Å; F157-V360 HydrophobicContact CE2-CG2 3.88Å; F157-V360 HydrophobicContact CZ-CG2 3.8Å
158	G	95.6	Very high	96.1	Very high	16 Å²	16	48.1 Å²	48.1	17%	0.165	25%	0.246	C	C	.	.			trans	92.2	147.5	-164.3	0	0	0	0	0	110.7	R154 D160 H161 L164	R154-G158 CarbonylContact O-C 3.54Å; R154-G158 VanDerWaalsContact O-CA 3.31Å; R154-G158 WeakPolarHBondContact O-CA 3.33Å; R154-G158 PolarHBondContact O-N 3.14Å; G158-D160 VanDerWaalsContact C-N 3.29Å; G158-D160 PolarHBondContact O-N 3.43Å; G158-H161 PolarHBondContact O-N 2.91Å; G158-L164 WeakPolarHBondContact O-CD1 3.39Å
159	A	90.1	Very high	96.2	Very high	59 Å²	59	49.7 Å²	49.7	49%	0.488	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-35.8	-167.7	0	0	0	0	0	113.9
160	D	88.9	Confident	96.2	Very high	140 Å²	140	49.3 Å²	49.3	75%	0.749	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	17.2	-169.7	-55.9	-53.5	0	0	0	113.4	G158	G158-D160 VanDerWaalsContact C-N 3.29Å; G158-D160 PolarHBondContact O-N 3.43Å
161	H	94.6	Very high	96.2	Very high	33 Å²	33	46.5 Å²	46.5	15%	0.153	24%	0.238	C	C	.	.			trans	-61	134.5	-176.6	-167.6	-82	0	0	0	111.3	F157 G158 V163 L164 T165 L331	F157-H161 HydrophobicContact CB-CB 4.06Å; G158-H161 PolarHBondContact O-N 2.91Å; H161-V163 WeakPolarHBondContact ND1-CB 3.27Å; H161-V163 PolarHBondContact ND1-N 3.35Å; H161-V163 PolarHBondContact O-N 2.9Å; H161-L164 WeakPolarHBondContact O-CB 3.39Å; H161-L164 PolarHBondContact O-N 2.84Å; H161-T165 PolarHBondContact O-N 3Å; H161-L331 VanDerWaalsContact CE1-CB 3.46Å; H161-L331 WeakPolarHBondContact CE1-CB 3.35Å; H161-L331 WeakPolarHBondContact NE2-CB 3.32Å
162	P	95.5	Very high	96.3	Very high	71 Å²	71	46 Å²	46	46%	0.461	23%	0.234	S	C	.	.	H	α-helix	trans	-53.5	-29.6	-176	-30.9	35.9	0	0	0	115.7	L164 T165 R166	P162-L164 PolarHBondContact O-N 2.85Å; P162-T165 WeakPolarHBondContact CA-OG1 3.32Å; P162-T165 PolarHBondContact O-N 2.81Å; P162-T165 PolarHBondContact O-OG1 3.1Å; P162-R166 WeakPolarHBondContact O-CB 3.43Å; P162-R166 VanDerWaalsContact O-CG 3.25Å; P162-R166 WeakPolarHBondContact O-CG 3.39Å; P162-R166 PolarHBondContact O-N 3.1Å
163	V	96.9	Very high	96.3	Very high	13 Å²	13	46.1 Å²	46.1	8%	0.079	23%	0.234	C	C	.	.	H	α-helix	trans	-57.8	-37.2	173.8	164.7	0	0	0	0	112.2	F157 H161 R167 L168 N169 L331 V360	F157-V163 HydrophobicContact CD2-CB 4.47Å; F157-V163 HydrophobicContact CD2-CG1 4.03Å; F157-V163 HydrophobicContact CE2-CG1 3.77Å; H161-V163 WeakPolarHBondContact ND1-CB 3.27Å; H161-V163 PolarHBondContact ND1-N 3.35Å; H161-V163 PolarHBondContact O-N 2.9Å; V163-R167 PolarHBondContact O-N 2.87Å; V163-L168 HydrophobicContact CG1-CB 4.14Å; V163-L168 PolarHBondContact O-N 3.03Å; V163-N169 HydrophobicContact CG1-CB 3.95Å; V163-L331 HydrophobicContact CG2-CD2 4.28Å; V163-V360 HydrophobicContact CG1-CG1 3.95Å; V163-V360 HydrophobicContact CG1-CG2 4.12Å; V163-V360 HydrophobicContact CG2-CG1 3.93Å
164	L	96.2	Very high	96.3	Very high	19 Å²	19	46.2 Å²	46.2	10%	0.099	24%	0.235	C	C	.	.	H	α-helix	trans	-76.8	-48.9	179.9	-57.3	-179.9	0	0	0	111.1	V153 R154 F157 G158 H161 P162 R166 R167	V153-L164 HydrophobicContact CB-CD2 4.35Å; V153-L164 HydrophobicContact CG1-CD2 3.65Å; V153-L164 HydrophobicContact CG2-CD2 3.8Å; R154-L164 HydrophobicContact CB-CD1 4.43Å; R154-L164 HydrophobicContact CG-CD1 3.59Å; F157-L164 HydrophobicContact CB-CD1 4.43Å; F157-L164 HydrophobicContact CD2-CD2 3.96Å; F157-L164 HydrophobicContact CD2-CG 4.38Å; G158-L164 WeakPolarHBondContact O-CD1 3.39Å; H161-L164 WeakPolarHBondContact O-CB 3.39Å; H161-L164 PolarHBondContact O-N 2.84Å; P162-L164 PolarHBondContact O-N 2.85Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 2.83Å; L164-R167 PolarHBondContact O-N 3.45Å; L164-R167 VanDerWaalsContact O-N 3.08Å
165	T	94.6	Very high	96.4	Very high	99 Å²	99	43.9 Å²	43.9	61%	0.607	23%	0.231	S	C	*	.	H	α-helix	trans	-65.1	-36.2	-178.4	57.3	0	0	0	0	111.9	H161 P162 R167	H161-T165 PolarHBondContact O-N 3Å; P162-T165 WeakPolarHBondContact CA-OG1 3.32Å; P162-T165 PolarHBondContact O-N 2.81Å; P162-T165 PolarHBondContact O-OG1 3.1Å; T165-R167 VanDerWaalsContact C-N 3.32Å
166	R	95.8	Very high	96.4	Very high	166 Å²	166	43.2 Å²	43.2	63%	0.626	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	2	175.1	-59.3	174.1	70.7	-172.2	1.9	113.9	P162 L164 L168	P162-R166 WeakPolarHBondContact O-CB 3.43Å; P162-R166 VanDerWaalsContact O-CG 3.25Å; P162-R166 WeakPolarHBondContact O-CG 3.39Å; P162-R166 PolarHBondContact O-N 3.1Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 2.83Å; R166-L168 VanDerWaalsContact C-N 3.32Å; R166-L168 HydrophobicContact CB-CD1 4.12Å; R166-L168 HydrophobicContact CB-CD2 4.28Å; R166-L168 HydrophobicContact CB-CG 3.82Å; R166-L168 PolarHBondContact O-N 2.9Å
167	R	95.9	Very high	96.4	Very high	165 Å²	165	43.4 Å²	43.4	62%	0.623	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	44.6	178.5	-57.6	-177.3	178.5	-176.7	0.2	113.7	V163 L164 T165 N169 Q364	V163-R167 PolarHBondContact O-N 2.87Å; L164-R167 PolarHBondContact O-N 3.45Å; L164-R167 VanDerWaalsContact O-N 3.08Å; T165-R167 VanDerWaalsContact C-N 3.32Å; R167-N169 VanDerWaalsContact C-N 3.35Å; R167-Q364 HydrophobicContact CB-CG 4.12Å
168	L	97.7	Very high	96.3	Very high	18 Å²	18	45.4 Å²	45.4	9%	0.094	24%	0.242	C	C	.	.			trans	-88.2	-3.6	179.7	-55.7	-178.1	0	0	0	112.6	V163 R166 G361	V163-L168 HydrophobicContact CG1-CB 4.14Å; V163-L168 PolarHBondContact O-N 3.03Å; R166-L168 VanDerWaalsContact C-N 3.32Å; R166-L168 HydrophobicContact CB-CD1 4.12Å; R166-L168 HydrophobicContact CB-CD2 4.28Å; R166-L168 HydrophobicContact CB-CG 3.82Å; R166-L168 PolarHBondContact O-N 2.9Å; L168-G361 PolarHBondContact O-N 2.99Å
169	N	97.9	Very high	96.4	Very high	34 Å²	34	45.5 Å²	45.5	18%	0.182	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	141.5	179	66.6	-63.5	0	0	0	113	V163 R167 T171 T358 F359	V163-N169 HydrophobicContact CG1-CB 3.95Å; R167-N169 VanDerWaalsContact C-N 3.35Å; N169-T171 PolarHBondContact ND2-OG1 3.39Å; N169-T358 HydrophobicContact CB-CG2 3.87Å; N169-F359 CarbonylContact C-O 3.56Å; N169-F359 WeakPolarHBondContact CA-O 3.31Å
170	A	98.3	Very high	96.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	97.5	166	0	0	0	0	0	108.7	T358 F359 A367 I370 L371	A170-T358 WeakPolarHBondContact O-CA 3.43Å; A170-F359 HydrophobicContact CB-CB 4.45Å; A170-F359 PolarHBondContact N-O 3.02Å; A170-F359 PolarHBondContact O-N 3.26Å; A170-A367 WeakPolarHBondContact CB-O 3.5Å; A170-I370 HydrophobicContact CB-CB 3.96Å; A170-I370 HydrophobicContact CB-CG2 3.77Å; A170-L371 HydrophobicContact CB-CB 4.05Å
171	T	98.6	Very high	97.2	Very high	17 Å²	17	36.1 Å²	36.1	10%	0.104	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.2	-177.2	-56.1	0	0	0	0	111	C149 V153 N169 A356 L357 T358	C149-T171 HydrophobicContact CB-CG2 3.82Å; V153-T171 HydrophobicContact CB-CG2 4.36Å; N169-T171 PolarHBondContact ND2-OG1 3.39Å; T171-A356 HydrophobicContact CG2-CB 4.36Å; T171-L357 CarbonylContact C-O 3.41Å; T171-L357 WeakPolarHBondContact CA-O 3.39Å; T171-T358 VanDerWaalsContact CG2-OG1 3.31Å; T171-T358 WeakPolarHBondContact CG2-OG1 3.35Å; T171-T358 WeakPolarHBondContact OG1-CG2 3.42Å; T171-T358 PolarHBondContact OG1-OG1 3.21Å
172	V	98.7	Very high	97.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.3	173.8	-61.4	0	0	0	0	109.9	A143 L183 A356 L357 L371 L374 I378	A143-V172 HydrophobicContact CB-CB 4.48Å; A143-V172 HydrophobicContact CB-CG1 3.91Å; A143-V172 CarbonylContact O-C 3.53Å; A143-V172 WeakPolarHBondContact O-CA 3.36Å; V172-L183 HydrophobicContact CG2-CD2 3.81Å; V172-A356 CarbonylContact O-C 2.93Å; V172-A356 VanDerWaalsContact O-CA 3.31Å; V172-A356 WeakPolarHBondContact O-CA 3.37Å; V172-L357 HydrophobicContact CG2-CB 3.95Å; V172-L357 PolarHBondContact N-O 3.05Å; V172-L357 PolarHBondContact O-N 3.37Å; V172-L371 HydrophobicContact CG1-CD1 3.5Å; V172-L371 VanDerWaalsContact CG1-CD1 3.5Å; V172-L374 HydrophobicContact CG1-CB 4.2Å; V172-L374 HydrophobicContact CG1-CD1 4.15Å; V172-L374 HydrophobicContact CG2-CD1 4.19Å; V172-I378 HydrophobicContact CB-CD1 4Å; V172-I378 HydrophobicContact CG1-CD1 4.15Å; V172-I378 HydrophobicContact CG2-CD1 3.99Å
173	Q	98.7	Very high	97.1	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	143.3	169.1	179.1	-178.7	-26.2	0	0	110	A143 F148 C149 P385 P386	A143-Q173 PolarHBondContact O-N 3.44Å; F148-Q173 HydrophobicContact CD1-CB 3.95Å; F148-Q173 HydrophobicContact CD1-CG 3.88Å; F148-Q173 HydrophobicContact CE1-CB 3.83Å; F148-Q173 HydrophobicContact CE1-CG 3.59Å; C149-Q173 PolarHBondContact SG-N 3.37Å; Q173-P385 HydrophobicContact CB-CB 4.33Å; Q173-P385 HydrophobicContact CB-CG 3.81Å; Q173-P385 HydrophobicContact CG-CB 3.85Å; Q173-P385 HydrophobicContact CG-CG 3.79Å; Q173-P386 PolarHBondContact NE2-O 3.48Å
174	S	98.2	Very high	97	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.035	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	166	-179.8	66.8	0	0	0	0	111.8	S176 A180 G355 A356	S174-S176 PolarHBondContact O-N 2.76Å; S174-S176 PolarHBondContact OG-O 3.12Å; S174-A180 WeakPolarHBondContact OG-CB 3.49Å; S174-G355 PolarHBondContact N-O 2.94Å; S174-G355 PolarHBondContact O-N 2.71Å; S174-G355 PolarHBondContact OG-O 3.14Å; S174-A356 PolarHBondContact OG-N 3Å
175	V	98.1	Very high	96.9	Very high	44 Å²	44	33.6 Å²	33.6	27%	0.267	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	72.8	169.5	-173.4	0	0	0	0	108.8	G179 R353 I382	V175-G179 WeakPolarHBondContact O-CA 3.27Å; V175-G179 PolarHBondContact O-N 3.36Å; V175-R353 CarbonylContact C-O 3.55Å; V175-R353 VanDerWaalsContact C-O 3.29Å; V175-R353 VanDerWaalsContact CA-O 3.27Å; V175-R353 WeakPolarHBondContact CA-O 3.24Å; V175-R353 HydrophobicContact CG1-CB 3.55Å; V175-R353 HydrophobicContact CG1-CG 4.12Å; V175-I382 HydrophobicContact CG2-CD1 3.81Å; V175-I382 HydrophobicContact CG2-CG2 4.4Å
176	S	98.1	Very high	96.6	Very high	2 Å²	2	29 Å²	29	1%	0.014	13%	0.134	C	C	.	.	H	α-helix	trans	61.5	-167.2	-176.3	-158.5	0	0	0	0	113.3	S174 T178 G179 A180 S342 R353 V354	S174-S176 PolarHBondContact O-N 2.76Å; S174-S176 PolarHBondContact OG-O 3.12Å; S176-T178 VanDerWaalsContact C-N 3.31Å; S176-T178 PolarHBondContact O-N 3.08Å; S176-G179 PolarHBondContact O-N 2.97Å; S176-A180 PolarHBondContact O-N 3Å; S176-S342 PolarHBondContact OG-OG 3.11Å; S176-R353 VanDerWaalsContact CB-CZ 3.41Å; S176-R353 VanDerWaalsContact CB-NH1 3.3Å; S176-R353 VanDerWaalsContact CB-NH2 3.3Å; S176-R353 PolarHBondContact N-O 3.25Å; S176-R353 PolarHBondContact OG-NH1 3.03Å; S176-R353 VanDerWaalsContact OG-NH1 3.15Å; S176-V354 WeakPolarHBondContact CA-O 3.43Å
177	G	97.8	Very high	96.4	Very high	5 Å²	5	22 Å²	22	5%	0.052	11%	0.109	C	C	.	.	H	α-helix	trans	-59.9	-39.7	176.6	0	0	0	0	0	112.5	G179 A180 L181	G177-G179 PolarHBondContact O-N 3.31Å; G177-A180 WeakPolarHBondContact O-CB 3.34Å; G177-A180 PolarHBondContact O-N 3.26Å; G177-L181 WeakPolarHBondContact O-CB 3.2Å; G177-L181 VanDerWaalsContact O-CG 3.29Å; G177-L181 WeakPolarHBondContact O-CG 3.41Å; G177-L181 PolarHBondContact O-N 2.93Å
178	T	96.9	Very high	96.2	Very high	45 Å²	45	14.3 Å²	14.3	28%	0.276	8%	0.08	S	C	.	.	H	α-helix	trans	-59.9	-45.2	178.2	-44.5	0	0	0	0	112.4	S176 L181 R182 W219 I225	S176-T178 VanDerWaalsContact C-N 3.31Å; S176-T178 PolarHBondContact O-N 3.08Å; T178-L181 PolarHBondContact O-N 2.86Å; T178-R182 WeakPolarHBondContact O-CB 3.27Å; T178-R182 PolarHBondContact O-N 3.28Å; T178-W219 HydrophobicContact CG2-CH2 4.32Å; T178-I225 HydrophobicContact CG2-CD1 4.13Å
179	G	96.9	Very high	95.5	Very high	18 Å²	18	13.4 Å²	13.4	19%	0.186	8%	0.075	C	C	.	.	H	α-helix	trans	-66.8	-39.3	176.2	0	0	0	0	0	112.5	V175 S176 G177 R182 L183	V175-G179 WeakPolarHBondContact O-CA 3.27Å; V175-G179 PolarHBondContact O-N 3.36Å; S176-G179 PolarHBondContact O-N 2.97Å; G177-G179 PolarHBondContact O-N 3.31Å; G179-R182 PolarHBondContact O-N 3.44Å; G179-L183 VanDerWaalsContact O-CB 3.32Å; G179-L183 WeakPolarHBondContact O-CB 3.46Å; G179-L183 PolarHBondContact O-N 2.88Å
180	A	98.2	Very high	94.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.2	-46.1	174.7	0	0	0	0	0	111	S174 S176 G177 R182 L183 A184 A340 A356 L357	S174-A180 WeakPolarHBondContact OG-CB 3.49Å; S176-A180 PolarHBondContact O-N 3Å; G177-A180 WeakPolarHBondContact O-CB 3.34Å; G177-A180 PolarHBondContact O-N 3.26Å; A180-R182 PolarHBondContact O-N 2.88Å; A180-L183 PolarHBondContact O-N 3.19Å; A180-A184 WeakPolarHBondContact O-CB 3.41Å; A180-A184 PolarHBondContact O-N 2.77Å; A180-A340 HydrophobicContact CB-CB 3.62Å; A180-A356 WeakPolarHBondContact CB-O 3.12Å; A180-L357 HydrophobicContact CB-CB 3.89Å
181	L	97.1	Very high	92.7	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-44.1	179.7	-71.4	167.7	0	0	0	111.7	G177 T178 L183 A184 A185 W219 I225 L274 W307 D309 A340	G177-L181 WeakPolarHBondContact O-CB 3.2Å; G177-L181 VanDerWaalsContact O-CG 3.29Å; G177-L181 WeakPolarHBondContact O-CG 3.41Å; G177-L181 PolarHBondContact O-N 2.93Å; T178-L181 PolarHBondContact O-N 2.86Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 3.24Å; L181-A184 PolarHBondContact O-N 3.3Å; L181-A185 WeakPolarHBondContact O-CB 3.4Å; L181-A185 PolarHBondContact O-N 3.12Å; L181-W219 HydrophobicContact CD1-CE3 4.46Å; L181-W219 HydrophobicContact CD1-CZ3 4.03Å; L181-I225 HydrophobicContact CB-CD1 3.94Å; L181-I225 HydrophobicContact CB-CG2 4.33Å; L181-I225 HydrophobicContact CD1-CD1 4.09Å; L181-L274 HydrophobicContact CD2-CD1 4.29Å; L181-W307 HydrophobicContact CB-CZ2 4.14Å; L181-W307 HydrophobicContact CD2-CH2 4.22Å; L181-W307 HydrophobicContact CD2-CZ2 3.39Å; L181-W307 HydrophobicContact CG-CZ2 4.36Å; L181-W307 WeakPolarHBondContact O-CZ2 3.43Å; L181-D309 HydrophobicContact CD2-CB 4.36Å; L181-A340 HydrophobicContact CD2-CB 3.75Å; L181-A340 HydrophobicContact CG-CB 3.88Å
182	R	94.2	Very high	90.7	Very high	78 Å²	78	17.5 Å²	17.5	29%	0.294	9%	0.091	S	C	.	.	H	α-helix	trans	-64.5	-36.2	178.2	176	56.1	-177	65.6	-5.6	112.8	T178 G179 A180 A186 I225 H229 M381	T178-R182 WeakPolarHBondContact O-CB 3.27Å; T178-R182 PolarHBondContact O-N 3.28Å; G179-R182 PolarHBondContact O-N 3.44Å; A180-R182 PolarHBondContact O-N 2.88Å; R182-A186 PolarHBondContact O-N 3.38Å; R182-A186 VanDerWaalsContact O-N 3.15Å; R182-I225 HydrophobicContact CB-CG2 4.31Å; R182-H229 WeakPolarHBondContact CD-NE2 3.25Å; R182-H229 PolarHBondContact NE-NE2 3.39Å; R182-H229 PolarHBondContact NH1-CE1 3.16Å; R182-H229 PolarHBondContact NH1-NE2 2.92Å; R182-H229 PolarHBondContact NH2-CE1 3.34Å; R182-H229 PolarHBondContact O-NE2 3.29Å; R182-M381 HydrophobicContact CG-CE 3.88Å
183	L	94.6	Very high	88.7	Confident	6 Å²	6	19 Å²	19	3%	0.031	10%	0.101	C	C	.	.	H	α-helix	trans	-72.9	-43.2	176.8	178.6	61	0	0	0	111.4	V172 G179 A180 L181 A185 A186 F187 L357 L374 L377 I378 M381	V172-L183 HydrophobicContact CG2-CD2 3.81Å; G179-L183 VanDerWaalsContact O-CB 3.32Å; G179-L183 WeakPolarHBondContact O-CB 3.46Å; G179-L183 PolarHBondContact O-N 2.88Å; A180-L183 PolarHBondContact O-N 3.19Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 3.24Å; L183-A185 PolarHBondContact O-N 3.39Å; L183-A186 WeakPolarHBondContact O-CB 3.32Å; L183-A186 PolarHBondContact O-N 3.49Å; L183-A186 VanDerWaalsContact O-N 3.15Å; L183-F187 PolarHBondContact O-N 3.32Å; L183-L357 HydrophobicContact CB-CD2 3.85Å; L183-L357 HydrophobicContact CD2-CD2 3.66Å; L183-L357 HydrophobicContact CG-CD2 3.62Å; L183-L374 HydrophobicContact CD1-CD2 4.32Å; L183-L374 HydrophobicContact CD2-CD2 4.21Å; L183-L374 HydrophobicContact CG-CD2 4.01Å; L183-L377 HydrophobicContact CD1-CB 3.6Å; L183-L377 HydrophobicContact CD1-CD1 4.3Å; L183-I378 HydrophobicContact CD1-CG1 3.95Å; L183-I378 HydrophobicContact CD2-CD1 3.77Å; L183-I378 HydrophobicContact CD2-CG1 3.55Å; L183-I378 HydrophobicContact CG-CG1 4.43Å; L183-M381 HydrophobicContact CD1-SD 4.24Å
184	A	95.3	Very high	86.7	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61	-43.7	173.8	0	0	0	0	0	111.8	A180 L181 A186 F187 F188 W307 L357 F359	A180-A184 WeakPolarHBondContact O-CB 3.41Å; A180-A184 PolarHBondContact O-N 2.77Å; L181-A184 PolarHBondContact O-N 3.3Å; A184-A186 VanDerWaalsContact C-N 3.28Å; A184-A186 PolarHBondContact O-N 2.87Å; A184-F187 WeakPolarHBondContact O-CB 3.28Å; A184-F187 PolarHBondContact O-N 3.02Å; A184-F187 VanDerWaalsContact O-N 3.11Å; A184-F188 HydrophobicContact CB-CD2 4.49Å; A184-F188 HydrophobicContact CB-CE2 4.03Å; A184-F188 WeakPolarHBondContact O-CD2 3.18Å; A184-F188 WeakPolarHBondContact O-CG 3.4Å; A184-F188 PolarHBondContact O-N 2.98Å; A184-W307 HydrophobicContact CB-CH2 4.32Å; A184-W307 HydrophobicContact CB-CZ2 3.52Å; A184-L357 HydrophobicContact CB-CD1 3.82Å; A184-L357 HydrophobicContact CB-CD2 4.09Å; A184-F359 HydrophobicContact CB-CE2 4.28Å; A184-F359 HydrophobicContact CB-CZ 4.15Å
185	A	92.8	Very high	84.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.3	-39.6	173.6	0	0	0	0	0	112.3	L181 L183 F188 C189 I225 L226 L240 W307	L181-A185 WeakPolarHBondContact O-CB 3.4Å; L181-A185 PolarHBondContact O-N 3.12Å; L183-A185 PolarHBondContact O-N 3.39Å; A185-F188 PolarHBondContact O-N 2.84Å; A185-C189 VanDerWaalsContact O-CB 3.26Å; A185-C189 WeakPolarHBondContact O-CB 3.47Å; A185-C189 PolarHBondContact O-N 3Å; A185-I225 HydrophobicContact CB-CG2 4.17Å; A185-L226 HydrophobicContact CB-CD2 4.47Å; A185-L240 HydrophobicContact CB-CD1 3.86Å; A185-L240 WeakPolarHBondContact O-CD1 3.42Å; A185-W307 HydrophobicContact CB-CH2 4.24Å
186	A	89.5	Confident	82.5	Confident	2 Å²	2	31.3 Å²	31.3	2%	0.017	16%	0.162	C	C	.	.	H	α-helix	trans	-63.7	-43.6	175.3	0	0	0	0	0	111.4	R182 L183 A184 C189 C190 H229 L377	R182-A186 PolarHBondContact O-N 3.38Å; R182-A186 VanDerWaalsContact O-N 3.15Å; L183-A186 WeakPolarHBondContact O-CB 3.32Å; L183-A186 PolarHBondContact O-N 3.49Å; L183-A186 VanDerWaalsContact O-N 3.15Å; A184-A186 VanDerWaalsContact C-N 3.28Å; A184-A186 PolarHBondContact O-N 2.87Å; A186-C189 PolarHBondContact O-N 3.22Å; A186-C190 PolarHBondContact O-N 3.36Å; A186-H229 VanDerWaalsContact CA-CE1 3.41Å; A186-H229 WeakPolarHBondContact CA-CE1 3.12Å; A186-H229 WeakPolarHBondContact CB-CE1 3.27Å; A186-H229 PolarHBondContact N-NE2 3.24Å; A186-L377 HydrophobicContact CB-CD1 4.27Å; A186-L377 HydrophobicContact CB-CD2 4.34Å
187	F	91.4	Very high	80.6	Confident	19 Å²	19	37.3 Å²	37.3	8%	0.083	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-49.3	176.9	-174.1	-86.8	0	0	0	111.6	L183 A184 C189 C190 F205 F359 I370 Q373 L374 L377	L183-F187 PolarHBondContact O-N 3.32Å; A184-F187 WeakPolarHBondContact O-CB 3.28Å; A184-F187 PolarHBondContact O-N 3.02Å; A184-F187 VanDerWaalsContact O-N 3.11Å; F187-C189 VanDerWaalsContact C-N 3.32Å; F187-C189 PolarHBondContact O-N 3.26Å; F187-C190 WeakPolarHBondContact O-CB 3.4Å; F187-C190 PolarHBondContact O-N 3.49Å; F187-F205 HydrophobicContact CD1-CB 4.41Å; F187-F205 HydrophobicContact CD1-CD2 4.23Å; F187-F205 AromaticContact CD2-CD2 3.64Å; F187-F205 HydrophobicContact CD2-CD2 3.64Å; F187-F205 HydrophobicContact CD2-CE2 4.01Å; F187-F205 HydrophobicContact CE1-CB 3.99Å; F187-F205 HydrophobicContact CE1-CD2 4.16Å; F187-F205 AromaticContact CE2-CD2 3.56Å; F187-F205 HydrophobicContact CE2-CD2 3.56Å; F187-F205 HydrophobicContact CE2-CE2 4Å; F187-F205 HydrophobicContact CE2-CG 4.41Å; F187-F205 AromaticContact CG-CD2 3.97Å; F187-F205 HydrophobicContact CG-CD2 3.97Å; F187-F205 HydrophobicContact CZ-CB 4.15Å; F187-F205 AromaticContact CZ-CD2 3.82Å; F187-F205 HydrophobicContact CZ-CD2 3.82Å; F187-F205 HydrophobicContact CZ-CG 4.26Å; F187-F205 WeakPolarHBondContact O-CD2 3.28Å; F187-F359 HydrophobicContact CB-CE2 4.48Å; F187-F359 HydrophobicContact CB-CZ 4.19Å; F187-F359 AromaticContact CD1-CE1 3.75Å; F187-F359 HydrophobicContact CD1-CE1 3.75Å; F187-F359 HydrophobicContact CD1-CE2 4.3Å; F187-F359 AromaticContact CD1-CZ 3.6Å; F187-F359 HydrophobicContact CD1-CZ 3.6Å; F187-F359 HydrophobicContact CE1-CD1 4.43Å; F187-F359 AromaticContact CE1-CE1 3.99Å; F187-F359 HydrophobicContact CE1-CE1 3.99Å; F187-F359 HydrophobicContact CE1-CZ 4.25Å; F187-F359 HydrophobicContact CG-CE2 4.32Å; F187-F359 AromaticContact CG-CZ 4Å; F187-F359 HydrophobicContact CG-CZ 4Å; F187-I370 HydrophobicContact CE2-CB 4.49Å; F187-I370 HydrophobicContact CE2-CG2 3.89Å; F187-I370 HydrophobicContact CZ-CB 4.39Å; F187-I370 HydrophobicContact CZ-CG1 4.05Å; F187-I370 HydrophobicContact CZ-CG2 3.92Å; F187-Q373 HydrophobicContact CE2-CB 4.06Å; F187-L374 HydrophobicContact CB-CD2 4.3Å; F187-L374 HydrophobicContact CD2-CD2 3.83Å; F187-L374 HydrophobicContact CD2-CG 4.28Å; F187-L374 HydrophobicContact CG-CD2 4.31Å; F187-L377 HydrophobicContact CB-CD1 3.95Å; F187-L377 HydrophobicContact CD2-CD1 4.17Å
188	F	91	Very high	78.5	Confident	3 Å²	3	41 Å²	41	1%	0.013	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-34.6	178.3	-64	-49.4	0	0	0	113.2	A184 A185 H206 K210 L240 I272 F305 W307 A338 F359	A184-F188 HydrophobicContact CB-CD2 4.49Å; A184-F188 HydrophobicContact CB-CE2 4.03Å; A184-F188 WeakPolarHBondContact O-CD2 3.18Å; A184-F188 WeakPolarHBondContact O-CG 3.4Å; A184-F188 PolarHBondContact O-N 2.98Å; A185-F188 PolarHBondContact O-N 2.84Å; F188-H206 HydrophobicContact CD1-CB 4.18Å; F188-K210 WeakPolarHBondContact O-CE 3.44Å; F188-K210 PolarHBondContact O-NZ 2.8Å; F188-L240 HydrophobicContact CB-CD1 3.96Å; F188-L240 HydrophobicContact CB-CD2 4.14Å; F188-L240 HydrophobicContact CD2-CD1 4.47Å; F188-I272 HydrophobicContact CB-CD1 3.75Å; F188-I272 HydrophobicContact CD1-CD1 3.67Å; F188-I272 HydrophobicContact CD1-CG1 4.43Å; F188-I272 HydrophobicContact CD2-CD1 3.86Å; F188-I272 HydrophobicContact CE1-CD1 4.18Å; F188-I272 HydrophobicContact CE2-CD1 4.37Å; F188-I272 HydrophobicContact CE2-CG2 4.25Å; F188-I272 HydrophobicContact CG-CD1 3.5Å; F188-I272 VanDerWaalsContact CG-CD1 3.5Å; F188-I272 HydrophobicContact CZ-CG2 4.39Å; F188-F305 HydrophobicContact CE1-CD1 4Å; F188-F305 AromaticContact CE1-CE1 3.67Å; F188-F305 HydrophobicContact CE1-CE1 3.67Å; F188-F305 HydrophobicContact CE1-CZ 4.31Å; F188-F305 HydrophobicContact CZ-CD1 4.06Å; F188-F305 AromaticContact CZ-CE1 3.64Å; F188-F305 HydrophobicContact CZ-CE1 3.64Å; F188-W307 HydrophobicContact CD2-CE3 4.21Å; F188-W307 HydrophobicContact CD2-CZ3 4.16Å; F188-W307 AromaticContact CE2-CD2 3.65Å; F188-W307 HydrophobicContact CE2-CD2 3.65Å; F188-W307 AromaticContact CE2-CE3 3.62Å; F188-W307 HydrophobicContact CE2-CE3 3.62Å; F188-W307 HydrophobicContact CE2-CG 4.09Å; F188-W307 HydrophobicContact CE2-CH2 4.36Å; F188-W307 HydrophobicContact CE2-CZ2 4.38Å; F188-W307 AromaticContact CE2-CZ3 3.98Å; F188-W307 HydrophobicContact CE2-CZ3 3.98Å; F188-W307 HydrophobicContact CZ-CD2 4.38Å; F188-W307 HydrophobicContact CZ-CG 4.37Å; F188-A338 HydrophobicContact CZ-CB 3.98Å; F188-F359 HydrophobicContact CD1-CE1 4.43Å; F188-F359 AromaticContact CE1-CE1 3.58Å; F188-F359 HydrophobicContact CE1-CE1 3.58Å; F188-F359 AromaticContact CE1-CZ 3.99Å; F188-F359 HydrophobicContact CE1-CZ 3.99Å; F188-F359 HydrophobicContact CE2-CZ 4.45Å; F188-F359 AromaticContact CZ-CE1 3.73Å; F188-F359 HydrophobicContact CZ-CE1 3.73Å; F188-F359 AromaticContact CZ-CZ 3.87Å; F188-F359 HydrophobicContact CZ-CZ 3.87Å
189	C	82.5	Confident	76.5	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-71.3	-32	177	179.6	0	0	0	0	112.2	A185 A186 F187 R191 T238 L240	A185-C189 VanDerWaalsContact O-CB 3.26Å; A185-C189 WeakPolarHBondContact O-CB 3.47Å; A185-C189 PolarHBondContact O-N 3Å; A186-C189 PolarHBondContact O-N 3.22Å; F187-C189 VanDerWaalsContact C-N 3.32Å; F187-C189 PolarHBondContact O-N 3.26Å; C189-R191 PolarHBondContact O-N 3.22Å; C189-T238 PolarHBondContact SG-O 2.99Å; C189-L240 HydrophobicContact CB-CG 4.42Å
190	C	73.9	Confident	74.3	Confident	13 Å²	13	47.2 Å²	47.2	9%	0.088	25%	0.251	C	S	.	.			trans	-55.7	132.6	-170.5	-160.6	0	0	0	0	112.8	A186 F187 V192 F205	A186-C190 PolarHBondContact O-N 3.36Å; F187-C190 WeakPolarHBondContact O-CB 3.4Å; F187-C190 PolarHBondContact O-N 3.49Å; C190-V192 PolarHBondContact SG-O 2.92Å; C190-F205 HydrophobicContact CB-CD1 4.37Å; C190-F205 HydrophobicContact CB-CD2 3.48Å; C190-F205 VanDerWaalsContact CB-CD2 3.48Å; C190-F205 HydrophobicContact CB-CE1 4.28Å; C190-F205 HydrophobicContact CB-CE2 3.41Å; C190-F205 VanDerWaalsContact CB-CE2 3.41Å; C190-F205 HydrophobicContact CB-CG 3.97Å; C190-F205 HydrophobicContact CB-CZ 3.83Å; C190-F205 PolarHBondContact O-N 3.38Å; C190-F205 VanDerWaalsContact SG-CE2 3.56Å; C190-F205 WeakPolarHBondContact SG-CZ 3.36Å
191	R	63.9	Low	72.2	Confident	96 Å²	96	48.9 Å²	48.9	36%	0.362	26%	0.261	S	S	.	.			trans	-109.8	-5.7	179.8	-67.8	-163	170.9	108.1	1.7	113.7	C189 K202 E203 T238	C189-R191 PolarHBondContact O-N 3.22Å; R191-K202 CarbonylContact O-C 3.54Å; R191-E203 CarbonylContact C-O 3.5Å; R191-T238 PolarHBondContact NH1-OG1 3.38Å; R191-T238 PolarHBondContact NH2-OG1 3.49Å
192	V	57.3	Low	70.2	Confident	29 Å²	29	58.3 Å²	58.3	18%	0.176	30%	0.302	C	S	.	.			trans	-133.5	114.6	-169	175.6	0	0	0	0	109.3	C190 R194 I199 F205	C190-V192 PolarHBondContact SG-O 2.92Å; V192-R194 HydrophobicContact CG1-CG 4.39Å; V192-R194 PolarHBondContact O-N 3.4Å; V192-I199 HydrophobicContact CG1-CB 4.18Å; V192-I199 HydrophobicContact CG1-CD1 4.46Å; V192-I199 HydrophobicContact CG1-CG1 3.95Å; V192-I199 HydrophobicContact CG1-CG2 3.53Å; V192-I199 HydrophobicContact CG2-CG2 4.36Å; V192-F205 WeakPolarHBondContact O-CE1 3.49Å; V192-F205 WeakPolarHBondContact O-CZ 3.4Å
193	C	55.6	Low	68.4	Low	32 Å²	32	60.6 Å²	60.6	22%	0.216	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	122.2	163.9	-74.9	0	0	0	0	108.2	V201 F205	C193-V201 HydrophobicContact CB-CB 4.3Å; C193-V201 PolarHBondContact N-O 2.96Å; C193-F205 HydrophobicContact CB-CE1 4.13Å; C193-F205 WeakPolarHBondContact SG-CE1 3.46Å
194	R	57.8	Low	67.1	Low	107 Å²	107	65.4 Å²	65.4	40%	0.404	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.5	168.8	-72.4	-172.1	-179.6	179.5	0.1	108.5	V192 Q373 I376	V192-R194 HydrophobicContact CG1-CG 4.39Å; V192-R194 PolarHBondContact O-N 3.4Å; R194-Q373 PolarHBondContact O-NE2 3.26Å; R194-Q373 VanDerWaalsContact O-NE2 3.17Å; R194-I376 HydrophobicContact CB-CD1 4.04Å; R194-I376 WeakPolarHBondContact O-CD1 3.43Å
195	L	53.3	Low	66.2	Low	128 Å²	128	67.3 Å²	67.3	67%	0.67	35%	0.345	S	S	*	.	S	Bend	trans	-98	-21.5	171.4	-74.8	158.9	0	0	0	111.2	I200 V201	L195-I200 HydrophobicContact CD1-CB 4.44Å; L195-V201 HydrophobicContact CD1-CG2 4.23Å
196	S	54.2	Low	65.8	Low	73 Å²	73	68.3 Å²	68.3	51%	0.51	35%	0.35	S	S	.	.	S	Bend	trans	-164.5	-171.3	179.1	-178.3	0	0	0	0	109.2	T198	S196-T198 PolarHBondContact O-N 3.06Å
197	S	59.2	Low	65.5	Low	129 Å²	129	74.3 Å²	74.3	90%	0.902	38%	0.377	S	S	*	.	S	Bend	trans	-50.9	-20.7	164.3	-32.7	0	0	0	0	112.4
198	T	52.5	Low	65.2	Low	81 Å²	81	73.8 Å²	73.8	50%	0.497	38%	0.378	S	S	.	.	S	Bend	trans	-87.8	123.4	173.9	-40.5	0	0	0	0	111.1	S196 I200	S196-T198 PolarHBondContact O-N 3.06Å; T198-I200 HydrophobicContact CG2-CD1 3.9Å; T198-I200 HydrophobicContact CG2-CG1 3.58Å; T198-I200 PolarHBondContact O-N 3.43Å
199	I	55.6	Low	65	Low	88 Å²	88	76 Å²	76	45%	0.451	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	110	168.1	-68.5	172.6	0	0	0	107.6	V192	V192-I199 HydrophobicContact CG1-CB 4.18Å; V192-I199 HydrophobicContact CG1-CD1 4.46Å; V192-I199 HydrophobicContact CG1-CG1 3.95Å; V192-I199 HydrophobicContact CG1-CG2 3.53Å; V192-I199 HydrophobicContact CG2-CG2 4.36Å
200	I	50.8	Low	65.1	Low	107 Å²	107	77.3 Å²	77.3	55%	0.549	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-13.7	-173.4	-63.3	-178.2	0	0	0	113.9	L195 T198	L195-I200 HydrophobicContact CD1-CB 4.44Å; T198-I200 HydrophobicContact CG2-CD1 3.9Å; T198-I200 HydrophobicContact CG2-CG1 3.58Å; T198-I200 PolarHBondContact O-N 3.43Å
201	V	53.1	Low	65.8	Low	35 Å²	35	78 Å²	78	21%	0.212	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	119.5	-177.3	-160.5	0	0	0	0	112	C193 L195 E203	C193-V201 HydrophobicContact CB-CB 4.3Å; C193-V201 PolarHBondContact N-O 2.96Å; L195-V201 HydrophobicContact CD1-CG2 4.23Å; V201-E203 HydrophobicContact CG1-CB 3.55Å; V201-E203 HydrophobicContact CG1-CG 3.44Å; V201-E203 VanDerWaalsContact CG1-CG 3.44Å; V201-E203 PolarHBondContact O-N 3.43Å; V201-E203 VanDerWaalsContact O-N 3.15Å
202	K	55.7	Low	67.2	Low	198 Å²	198	73.4 Å²	73.4	86%	0.861	38%	0.384	S	S	*	.			trans	-79.5	34.9	168	-72.5	-175.7	178.5	175.7	0	111.5	R191	R191-K202 CarbonylContact O-C 3.54Å
203	E	55.5	Low	69.1	Low	126 Å²	126	74 Å²	74	59%	0.589	38%	0.384	S	S	*	.			trans	-90.1	123.2	176.1	-78.7	174.7	-160	0	0	109.1	R191 V201 F205	R191-E203 CarbonylContact C-O 3.5Å; V201-E203 HydrophobicContact CG1-CB 3.55Å; V201-E203 HydrophobicContact CG1-CG 3.44Å; V201-E203 VanDerWaalsContact CG1-CG 3.44Å; V201-E203 PolarHBondContact O-N 3.43Å; V201-E203 VanDerWaalsContact O-N 3.15Å; E203-F205 PolarHBondContact O-N 3.29Å
204	K	67.3	Low	71.1	Confident	108 Å²	108	72.5 Å²	72.5	47%	0.47	37%	0.373	S	S	.	.			trans	-66.3	124	174.5	-60.6	172.3	-176.1	172	0	107.3	H206	K204-H206 VanDerWaalsContact C-N 3.26Å; K204-H206 VanDerWaalsContact CB-O 3.3Å; K204-H206 WeakPolarHBondContact CB-O 3.45Å; K204-H206 PolarHBondContact O-N 3.14Å
205	F	78.1	Confident	73	Confident	40 Å²	40	67.4 Å²	67.4	18%	0.175	35%	0.354	C	S	.	.	S	Bend	trans	-53.6	-49.2	177.5	-67.6	2.2	0	0	0	110.4	F187 C190 V192 C193 E203 Q373	F187-F205 HydrophobicContact CD1-CB 4.41Å; F187-F205 HydrophobicContact CD1-CD2 4.23Å; F187-F205 AromaticContact CD2-CD2 3.64Å; F187-F205 HydrophobicContact CD2-CD2 3.64Å; F187-F205 HydrophobicContact CD2-CE2 4.01Å; F187-F205 HydrophobicContact CE1-CB 3.99Å; F187-F205 HydrophobicContact CE1-CD2 4.16Å; F187-F205 AromaticContact CE2-CD2 3.56Å; F187-F205 HydrophobicContact CE2-CD2 3.56Å; F187-F205 HydrophobicContact CE2-CE2 4Å; F187-F205 HydrophobicContact CE2-CG 4.41Å; F187-F205 AromaticContact CG-CD2 3.97Å; F187-F205 HydrophobicContact CG-CD2 3.97Å; F187-F205 HydrophobicContact CZ-CB 4.15Å; F187-F205 AromaticContact CZ-CD2 3.82Å; F187-F205 HydrophobicContact CZ-CD2 3.82Å; F187-F205 HydrophobicContact CZ-CG 4.26Å; F187-F205 WeakPolarHBondContact O-CD2 3.28Å; C190-F205 HydrophobicContact CB-CD1 4.37Å; C190-F205 HydrophobicContact CB-CD2 3.48Å; C190-F205 VanDerWaalsContact CB-CD2 3.48Å; C190-F205 HydrophobicContact CB-CE1 4.28Å; C190-F205 HydrophobicContact CB-CE2 3.41Å; C190-F205 VanDerWaalsContact CB-CE2 3.41Å; C190-F205 HydrophobicContact CB-CG 3.97Å; C190-F205 HydrophobicContact CB-CZ 3.83Å; C190-F205 PolarHBondContact O-N 3.38Å; C190-F205 VanDerWaalsContact SG-CE2 3.56Å; C190-F205 WeakPolarHBondContact SG-CZ 3.36Å; V192-F205 WeakPolarHBondContact O-CE1 3.49Å; V192-F205 WeakPolarHBondContact O-CZ 3.4Å; C193-F205 HydrophobicContact CB-CE1 4.13Å; C193-F205 WeakPolarHBondContact SG-CE1 3.46Å; E203-F205 PolarHBondContact O-N 3.29Å; F205-Q373 HydrophobicContact CE1-CG 4.41Å; F205-Q373 HydrophobicContact CE2-CB 3.78Å; F205-Q373 HydrophobicContact CE2-CG 4.04Å; F205-Q373 HydrophobicContact CZ-CB 3.99Å; F205-Q373 HydrophobicContact CZ-CG 3.76Å; F205-Q373 VanDerWaalsContact CZ-OE1 3.29Å
206	H	83.5	Confident	75.1	Confident	21 Å²	21	65.3 Å²	65.3	10%	0.097	34%	0.343	C	S	.	.	S	Bend	trans	-93.2	118.8	167.4	-174.6	63.7	0	0	0	111.2	F188 K204 G208 K210 R270	F188-H206 HydrophobicContact CD1-CB 4.18Å; K204-H206 VanDerWaalsContact C-N 3.26Å; K204-H206 VanDerWaalsContact CB-O 3.3Å; K204-H206 WeakPolarHBondContact CB-O 3.45Å; K204-H206 PolarHBondContact O-N 3.14Å; H206-G208 VanDerWaalsContact C-N 3.28Å; H206-G208 PolarHBondContact CD2-N 3.07Å; H206-G208 PolarHBondContact O-N 3.23Å; H206-K210 PolarHBondContact O-NZ 3.33Å; H206-R270 PolarHBondContact CE1-O 3.2Å; H206-R270 PolarHBondContact NE2-O 2.9Å
207	Q	82.3	Confident	77	Confident	127 Å²	127	63 Å²	63	59%	0.593	33%	0.327	S	S	*	.			trans	-83.4	8.3	-175.2	-60.4	-175.4	-0.3	0	0	114.7
208	G	85.7	Confident	78.7	Confident	9 Å²	9	57.3 Å²	57.3	9%	0.093	29%	0.287	C	S	.	.	S	Bend	trans	-102.1	-172.3	177.6	0	0	0	0	0	114.9	H206 R270	H206-G208 VanDerWaalsContact C-N 3.28Å; H206-G208 PolarHBondContact CD2-N 3.07Å; H206-G208 PolarHBondContact O-N 3.23Å; G208-R270 WeakPolarHBondContact CA-O 3.49Å
209	P	87	Confident	80.6	Confident	49 Å²	49	56 Å²	56	32%	0.318	27%	0.272	S	S	.	.			trans	-52	141.4	168.9	-24	34.3	0	0	0	110.9	V211 P268	P209-V211 HydrophobicContact CB-CB 4.43Å; P209-V211 HydrophobicContact CB-CG2 4.46Å; P209-V211 PolarHBondContact O-N 2.81Å; P209-P268 HydrophobicContact CG-CB 4.27Å
210	K	85.4	Confident	82.2	Confident	27 Å²	27	55.2 Å²	55.2	12%	0.117	27%	0.269	C	S	.	.	S	Bend	trans	-81.8	54.2	174.6	-62	-51.4	-169.3	-172.9	0	110.2	F188 H206 L240 G241	F188-K210 WeakPolarHBondContact O-CE 3.44Å; F188-K210 PolarHBondContact O-NZ 2.8Å; H206-K210 PolarHBondContact O-NZ 3.33Å; K210-L240 HydrophobicContact CB-CD2 4.12Å; K210-L240 HydrophobicContact CD-CD2 4.41Å; K210-L240 CarbonylContact O-C 3.36Å; K210-L240 WeakPolarHBondContact O-CA 3.44Å; K210-G241 PolarHBondContact O-N 2.72Å
211	V	87.1	Confident	84.1	Confident	28 Å²	28	52 Å²	52	17%	0.17	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.8	-176.7	179.1	0	0	0	0	108.7	P209 G241 H243	P209-V211 HydrophobicContact CB-CB 4.43Å; P209-V211 HydrophobicContact CB-CG2 4.46Å; P209-V211 PolarHBondContact O-N 2.81Å; V211-G241 CarbonylContact C-O 3.02Å; V211-G241 WeakPolarHBondContact CA-O 3.43Å; V211-H243 HydrophobicContact CG1-CB 4.23Å; V211-H243 VanDerWaalsContact CG1-CD2 3.44Å; V211-H243 WeakPolarHBondContact CG1-CD2 3.34Å
212	V	94.5	Very high	86	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.3	173.6	-179.9	0	0	0	0	108.4	V214 L226 L240 G241 M242 H243 I272 L274 W307	V212-V214 HydrophobicContact CG1-CG1 4.05Å; V212-L226 HydrophobicContact CB-CD1 3.91Å; V212-L226 HydrophobicContact CB-CD2 3.96Å; V212-L226 HydrophobicContact CG1-CD1 4.04Å; V212-L226 HydrophobicContact CG1-CD2 4.3Å; V212-L226 HydrophobicContact CG2-CD2 3.68Å; V212-L240 HydrophobicContact CG2-CB 4.2Å; V212-L240 HydrophobicContact CG2-CD1 3.87Å; V212-L240 HydrophobicContact CG2-CG 4.43Å; V212-G241 PolarHBondContact N-O 2.9Å; V212-M242 WeakPolarHBondContact O-CA 3.38Å; V212-H243 PolarHBondContact O-N 2.75Å; V212-I272 WeakPolarHBondContact CA-O 3.45Å; V212-I272 HydrophobicContact CG1-CG2 4.26Å; V212-I272 HydrophobicContact CG2-CB 4.12Å; V212-I272 HydrophobicContact CG2-CD1 4.23Å; V212-I272 HydrophobicContact CG2-CG2 4.16Å; V212-L274 HydrophobicContact CG1-CB 3.93Å; V212-W307 HydrophobicContact CG1-CE3 4.08Å; V212-W307 HydrophobicContact CG1-CZ3 4.05Å; V212-W307 HydrophobicContact CG2-CE3 4.46Å; V212-W307 HydrophobicContact CG2-CZ3 4.07Å
213	W	97.4	Very high	87.6	Confident	42 Å²	42	41.1 Å²	41.1	16%	0.159	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	126.4	173.2	-67.1	79.1	0	0	0	108.8	H243 Y244 Y245 I267 I272 I273 L274	W213-H243 CarbonylContact C-O 3.34Å; W213-H243 WeakPolarHBondContact CA-O 3.46Å; W213-H243 HydrophobicContact CD2-CB 3.59Å; W213-H243 AromaticContact CE2-CD2 3.94Å; W213-H243 HydrophobicContact CE3-CB 3.49Å; W213-H243 VanDerWaalsContact CE3-CB 3.49Å; W213-H243 HydrophobicContact CG-CB 4.3Å; W213-H243 HydrophobicContact CH2-CB 3.83Å; W213-H243 AromaticContact CH2-CD2 3.99Å; W213-H243 HydrophobicContact CZ2-CB 3.92Å; W213-H243 AromaticContact CZ2-CD2 3.59Å; W213-H243 HydrophobicContact CZ3-CB 3.63Å; W213-Y244 VanDerWaalsContact CZ3-O 3.32Å; W213-Y244 WeakPolarHBondContact CZ3-O 3.38Å; W213-Y245 HydrophobicContact CB-CD1 3.99Å; W213-Y245 HydrophobicContact CB-CE1 4.49Å; W213-I267 HydrophobicContact CB-CD1 4.12Å; W213-I267 HydrophobicContact CD2-CD1 3.58Å; W213-I267 HydrophobicContact CD2-CG1 3.62Å; W213-I267 HydrophobicContact CD2-CG2 4.21Å; W213-I267 HydrophobicContact CE3-CD1 3.65Å; W213-I267 HydrophobicContact CE3-CG1 3.72Å; W213-I267 HydrophobicContact CG-CD1 3.79Å; W213-I267 HydrophobicContact CG-CG1 4.2Å; W213-I267 HydrophobicContact CG-CG2 4.21Å; W213-I267 HydrophobicContact CH2-CG1 4.01Å; W213-I267 HydrophobicContact CZ2-CG1 3.91Å; W213-I267 HydrophobicContact CZ2-CG2 4.36Å; W213-I267 HydrophobicContact CZ3-CD1 4.28Å; W213-I267 HydrophobicContact CZ3-CG1 3.91Å; W213-I272 PolarHBondContact N-O 2.55Å; W213-I273 HydrophobicContact CB-CD1 3.78Å; W213-I273 HydrophobicContact CG-CD1 4.1Å; W213-L274 PolarHBondContact O-N 2.79Å
214	V	97.6	Very high	89.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	154.2	-178.5	-55.2	0	0	0	0	109.7	V212 T218 L226 M242 H243 Y244 Y245 L274	V212-V214 HydrophobicContact CG1-CG1 4.05Å; V214-T218 HydrophobicContact CB-CG2 4.02Å; V214-T218 HydrophobicContact CG2-CG2 3.8Å; V214-L226 HydrophobicContact CG1-CD1 3.97Å; V214-M242 HydrophobicContact CG1-CG 4.08Å; V214-M242 HydrophobicContact CG1-SD 4.27Å; V214-M242 HydrophobicContact CG2-CE 4.29Å; V214-M242 HydrophobicContact CG2-CG 3.85Å; V214-M242 HydrophobicContact CG2-SD 3.83Å; V214-H243 PolarHBondContact N-O 3.3Å; V214-Y244 HydrophobicContact CG2-CD1 3.6Å; V214-Y244 HydrophobicContact CG2-CE1 3.64Å; V214-Y244 HydrophobicContact CG2-CG 4.48Å; V214-Y244 CarbonylContact O-C 3.6Å; V214-Y244 VanDerWaalsContact O-CA 3.28Å; V214-Y244 WeakPolarHBondContact O-CA 3.08Å; V214-Y245 VanDerWaalsContact C-CD1 3.45Å; V214-Y245 VanDerWaalsContact O-CD1 3.26Å; V214-Y245 WeakPolarHBondContact O-CD1 3.4Å; V214-Y245 PolarHBondContact O-N 3.04Å; V214-L274 HydrophobicContact CG1-CB 4.06Å; V214-L274 HydrophobicContact CG1-CD1 4.47Å
215	P	97.8	Very high	90.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	152	178.6	24.2	-28.1	0	0	0	110.7	P217 T218 Y245 Y247 H280	P215-P217 CarbonylContact C-O 3.52Å; P215-P217 VanDerWaalsContact C-O 3.28Å; P215-P217 CarbonylContact O-C 3.55Å; P215-T218 WeakPolarHBondContact O-CB 3.5Å; P215-T218 PolarHBondContact O-N 2.94Å; P215-Y245 CarbonylContact C-O 3.59Å; P215-Y245 VanDerWaalsContact CA-CZ 3.5Å; P215-Y245 HydrophobicContact CB-CD2 4.34Å; P215-Y245 HydrophobicContact CB-CE1 4.45Å; P215-Y245 HydrophobicContact CB-CE2 3.57Å; P215-Y245 VanDerWaalsContact CD-OH 3.26Å; P215-Y245 WeakPolarHBondContact CD-OH 3.44Å; P215-Y245 HydrophobicContact CG-CE2 4.47Å; P215-Y245 VanDerWaalsContact N-CE1 3.31Å; P215-Y245 VanDerWaalsContact N-CZ 3.31Å; P215-Y247 HydrophobicContact CB-CD1 4.2Å; P215-Y247 HydrophobicContact CB-CD2 3.98Å; P215-Y247 HydrophobicContact CB-CG 3.67Å; P215-H280 WeakPolarHBondContact CG-NE2 3.35Å
216	N	96.1	Very high	90.6	Very high	83 Å²	83	32 Å²	32	44%	0.444	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	113.2	170.6	-168.7	13.5	0	0	0	110.8	Y244 Y245 Y248	N216-Y244 HydrophobicContact CB-CD1 4.06Å; N216-Y244 HydrophobicContact CB-CG 4.38Å; N216-Y245 WeakPolarHBondContact CB-O 3.41Å; N216-Y245 PolarHBondContact N-O 3.15Å; N216-Y248 PolarHBondContact O-N 3.31Å; N216-Y248 VanDerWaalsContact O-N 3.13Å
217	P	94.6	Very high	90.2	Very high	25 Å²	25	37.9 Å²	37.9	16%	0.162	19%	0.187	C	C	.	.	S	Bend	cis	-79.1	178.5	-8	35.7	-35.5	0	0	0	111.8	P215 H280 P282 T283 Y449	P215-P217 CarbonylContact C-O 3.52Å; P215-P217 VanDerWaalsContact C-O 3.28Å; P215-P217 CarbonylContact O-C 3.55Å; P217-H280 PolarHBondContact O-CE1 3.21Å; P217-H280 PolarHBondContact O-NE2 3.01Å; P217-P282 HydrophobicContact CB-CG 4.39Å; P217-P282 HydrophobicContact CG-CG 4.07Å; P217-T283 HydrophobicContact CG-CG2 3.65Å; P217-Y449 HydrophobicContact CG-CE2 3.85Å
218	T	94.6	Very high	89.3	Confident	10 Å²	10	38.1 Å²	38.1	6%	0.061	19%	0.192	C	C	.	.			trans	-142.8	177.7	172	-159.2	0	0	0	0	111	V214 P215 N220 H222 H276 N281	V214-T218 HydrophobicContact CB-CG2 4.02Å; V214-T218 HydrophobicContact CG2-CG2 3.8Å; P215-T218 WeakPolarHBondContact O-CB 3.5Å; P215-T218 PolarHBondContact O-N 2.94Å; T218-N220 PolarHBondContact O-N 2.94Å; T218-H222 HydrophobicContact CG2-CB 3.94Å; T218-H222 PolarHBondContact OG1-ND1 3.43Å; T218-H276 PolarHBondContact OG1-NE2 3.17Å; T218-N281 CarbonylContact C-O 3.53Å
219	W	93.1	Very high	87.8	Confident	52 Å²	52	38.1 Å²	38.1	20%	0.197	19%	0.19	C	C	.	.			trans	-59.4	120.5	175.3	178.7	47.5	0	0	0	110.6	T178 L181 N221 H222 I225 N281	T178-W219 HydrophobicContact CG2-CH2 4.32Å; L181-W219 HydrophobicContact CD1-CE3 4.46Å; L181-W219 HydrophobicContact CD1-CZ3 4.03Å; W219-N221 HydrophobicContact CD2-CB 3.85Å; W219-N221 HydrophobicContact CE3-CB 3.91Å; W219-N221 HydrophobicContact CH2-CB 3.48Å; W219-N221 VanDerWaalsContact CH2-CB 3.48Å; W219-N221 VanDerWaalsContact CH2-ND2 3.3Å; W219-N221 WeakPolarHBondContact CH2-ND2 3.26Å; W219-N221 HydrophobicContact CZ2-CB 3.38Å; W219-N221 HydrophobicContact CZ3-CB 3.73Å; W219-N221 PolarHBondContact O-N 3.06Å; W219-H222 AromaticContact CE3-CD2 3.72Å; W219-H222 AromaticContact CE3-NE2 3.74Å; W219-H222 VanDerWaalsContact O-CB 3.32Å; W219-H222 WeakPolarHBondContact O-CB 3.3Å; W219-H222 PolarHBondContact O-N 3.37Å; W219-I225 HydrophobicContact CZ3-CD1 4.06Å; W219-N281 HydrophobicContact CB-CB 4.42Å; W219-N281 PolarHBondContact N-O 2.67Å
220	N	88.3	Confident	85.7	Confident	73 Å²	73	37.1 Å²	37.1	39%	0.39	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	-38.8	-173.2	-68.9	-8.3	0	0	0	114.4	T218 H222 G223	T218-N220 PolarHBondContact O-N 2.94Å; N220-H222 VanDerWaalsContact C-N 3.26Å; N220-H222 PolarHBondContact O-N 2.78Å; N220-G223 PolarHBondContact O-N 3.48Å
221	N	90.7	Very high	83.4	Confident	38 Å²	38	42.8 Å²	42.8	20%	0.203	22%	0.22	C	C	.	.	H	α-helix	trans	-73.5	-12.7	-176.1	-156.9	38.9	0	0	0	113.9	W219 G223 N224 I225	W219-N221 HydrophobicContact CD2-CB 3.85Å; W219-N221 HydrophobicContact CE3-CB 3.91Å; W219-N221 HydrophobicContact CH2-CB 3.48Å; W219-N221 VanDerWaalsContact CH2-CB 3.48Å; W219-N221 VanDerWaalsContact CH2-ND2 3.3Å; W219-N221 WeakPolarHBondContact CH2-ND2 3.26Å; W219-N221 HydrophobicContact CZ2-CB 3.38Å; W219-N221 HydrophobicContact CZ3-CB 3.73Å; W219-N221 PolarHBondContact O-N 3.06Å; N221-G223 VanDerWaalsContact C-N 3.27Å; N221-G223 PolarHBondContact O-N 3.2Å; N221-N224 PolarHBondContact O-N 2.78Å; N221-N224 WeakPolarHBondContact OD1-CB 3.45Å; N221-N224 PolarHBondContact OD1-ND2 3.43Å; N221-N224 VanDerWaalsContact OD1-ND2 3.13Å; N221-I225 WeakPolarHBondContact O-CD1 3.26Å; N221-I225 VanDerWaalsContact O-CG1 3.26Å; N221-I225 WeakPolarHBondContact O-CG1 3.25Å; N221-I225 PolarHBondContact O-N 2.96Å
222	H	93.2	Very high	81	Confident	2 Å²	2	47 Å²	47	1%	0.009	25%	0.25	C	S	.	.	H	α-helix	trans	-55.2	-46.1	168.6	-72.5	156.6	0	0	0	111	T218 W219 N220 N224 I225 L226 L274 H276 D309	T218-H222 HydrophobicContact CG2-CB 3.94Å; T218-H222 PolarHBondContact OG1-ND1 3.43Å; W219-H222 AromaticContact CE3-CD2 3.72Å; W219-H222 AromaticContact CE3-NE2 3.74Å; W219-H222 VanDerWaalsContact O-CB 3.32Å; W219-H222 WeakPolarHBondContact O-CB 3.3Å; W219-H222 PolarHBondContact O-N 3.37Å; N220-H222 VanDerWaalsContact C-N 3.26Å; N220-H222 PolarHBondContact O-N 2.78Å; H222-N224 VanDerWaalsContact C-N 3.32Å; H222-N224 PolarHBondContact O-N 3.24Å; H222-I225 PolarHBondContact O-N 3.48Å; H222-L226 WeakPolarHBondContact O-CB 3.39Å; H222-L226 VanDerWaalsContact O-CG 3.23Å; H222-L226 WeakPolarHBondContact O-CG 3.46Å; H222-L226 PolarHBondContact O-N 2.91Å; H222-L274 VanDerWaalsContact CE1-CD2 3.45Å; H222-L274 WeakPolarHBondContact CE1-CD2 3.48Å; H222-H276 AromaticContact CE1-CE1 3.85Å; H222-H276 AromaticContact CE1-NE2 3.38Å; H222-H276 PolarHBondContact CE1-NE2 2.98Å; H222-H276 AromaticContact ND1-NE2 3.88Å; H222-D309 IonicContact CE1-OD2 3.37Å; H222-D309 IonicContact NE2-OD2 2.7Å; H222-D309 PolarHBondContact NE2-OD2 2.94Å
223	G	89.7	Confident	78.2	Confident	3 Å²	3	53.5 Å²	53.5	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-38.4	177.4	0	0	0	0	0	113.2	N220 N221 R227 M242	N220-G223 PolarHBondContact O-N 3.48Å; N221-G223 VanDerWaalsContact C-N 3.27Å; N221-G223 PolarHBondContact O-N 3.2Å; G223-R227 VanDerWaalsContact O-CB 3.23Å; G223-R227 WeakPolarHBondContact O-CB 3.37Å; G223-R227 VanDerWaalsContact O-CG 3.26Å; G223-R227 WeakPolarHBondContact O-CG 3.17Å; G223-R227 PolarHBondContact O-N 3.15Å; G223-R227 PolarHBondContact O-NE 2.94Å; G223-M242 VanDerWaalsContact CA-SD 3.55Å
224	N	86.4	Confident	75.4	Confident	73 Å²	73	64 Å²	64	39%	0.39	32%	0.324	S	S	.	.	H	α-helix	trans	-68.7	-45	177.3	-64.2	-23.9	0	0	0	111.4	N221 H222 L226 R227 L228	N221-N224 PolarHBondContact O-N 2.78Å; N221-N224 WeakPolarHBondContact OD1-CB 3.45Å; N221-N224 PolarHBondContact OD1-ND2 3.43Å; N221-N224 VanDerWaalsContact OD1-ND2 3.13Å; H222-N224 VanDerWaalsContact C-N 3.32Å; H222-N224 PolarHBondContact O-N 3.24Å; N224-L226 VanDerWaalsContact C-N 3.31Å; N224-L226 PolarHBondContact O-N 3.41Å; N224-R227 PolarHBondContact O-N 3.43Å; N224-L228 VanDerWaalsContact O-CB 3.25Å; N224-L228 WeakPolarHBondContact O-CB 3.39Å; N224-L228 WeakPolarHBondContact O-CD1 3.49Å; N224-L228 WeakPolarHBondContact O-CG 3.39Å; N224-L228 PolarHBondContact O-N 3.45Å
225	I	89.7	Confident	72.7	Confident	10 Å²	10	68.8 Å²	68.8	5%	0.051	35%	0.353	C	S	.	.	H	α-helix	trans	-60.5	-42.2	179.5	-69.5	164.2	0	0	0	111.2	T178 L181 R182 A185 W219 N221 H222	T178-I225 HydrophobicContact CG2-CD1 4.13Å; L181-I225 HydrophobicContact CB-CD1 3.94Å; L181-I225 HydrophobicContact CB-CG2 4.33Å; L181-I225 HydrophobicContact CD1-CD1 4.09Å; R182-I225 HydrophobicContact CB-CG2 4.31Å; A185-I225 HydrophobicContact CB-CG2 4.17Å; W219-I225 HydrophobicContact CZ3-CD1 4.06Å; N221-I225 WeakPolarHBondContact O-CD1 3.26Å; N221-I225 VanDerWaalsContact O-CG1 3.26Å; N221-I225 WeakPolarHBondContact O-CG1 3.25Å; N221-I225 PolarHBondContact O-N 2.96Å; H222-I225 PolarHBondContact O-N 3.48Å
226	L	87.7	Confident	70.1	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-73.7	-42.4	-178.5	-64.8	172.6	0	0	0	112.1	A185 V212 V214 H222 N224 L240 M242 W307	A185-L226 HydrophobicContact CB-CD2 4.47Å; V212-L226 HydrophobicContact CB-CD1 3.91Å; V212-L226 HydrophobicContact CB-CD2 3.96Å; V212-L226 HydrophobicContact CG1-CD1 4.04Å; V212-L226 HydrophobicContact CG1-CD2 4.3Å; V212-L226 HydrophobicContact CG2-CD2 3.68Å; V214-L226 HydrophobicContact CG1-CD1 3.97Å; H222-L226 WeakPolarHBondContact O-CB 3.39Å; H222-L226 VanDerWaalsContact O-CG 3.23Å; H222-L226 WeakPolarHBondContact O-CG 3.46Å; H222-L226 PolarHBondContact O-N 2.91Å; N224-L226 VanDerWaalsContact C-N 3.31Å; N224-L226 PolarHBondContact O-N 3.41Å; L226-L240 HydrophobicContact CD2-CB 4.11Å; L226-L240 HydrophobicContact CD2-CD1 3.92Å; L226-L240 PolarHBondContact O-N 2.92Å; L226-M242 HydrophobicContact CD1-CB 4.11Å; L226-M242 HydrophobicContact CD1-CG 3.71Å; L226-M242 HydrophobicContact CD1-SD 3.79Å; L226-W307 HydrophobicContact CD2-CH2 4.26Å; L226-W307 HydrophobicContact CD2-CZ3 3.98Å
227	R	75.7	Confident	67.9	Low	143 Å²	143	73 Å²	73	54%	0.54	37%	0.367	S	S	.	.	H	α-helix	trans	-74.7	-36.9	-178.4	-73.4	-175.4	-99.1	-127.9	3.4	114.3	G223 N224 H229 G230	G223-R227 VanDerWaalsContact O-CB 3.23Å; G223-R227 WeakPolarHBondContact O-CB 3.37Å; G223-R227 VanDerWaalsContact O-CG 3.26Å; G223-R227 WeakPolarHBondContact O-CG 3.17Å; G223-R227 PolarHBondContact O-N 3.15Å; G223-R227 PolarHBondContact O-NE 2.94Å; N224-R227 PolarHBondContact O-N 3.43Å; R227-H229 PolarHBondContact O-N 2.87Å; R227-G230 PolarHBondContact O-N 3.19Å
228	L	63.1	Low	65.9	Low	133 Å²	133	75 Å²	75	70%	0.696	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.7	-177.5	-78.5	171.1	0	0	0	113.5	N224 G230	N224-L228 VanDerWaalsContact O-CB 3.25Å; N224-L228 WeakPolarHBondContact O-CB 3.39Å; N224-L228 WeakPolarHBondContact O-CD1 3.49Å; N224-L228 WeakPolarHBondContact O-CG 3.39Å; N224-L228 PolarHBondContact O-N 3.45Å; L228-G230 PolarHBondContact O-N 3.32Å
229	H	53.2	Low	64.4	Low	9 Å²	9	75.5 Å²	75.5	4%	0.042	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-0.3	173.2	-88.1	-68.1	0	0	0	114.6	R182 A186 R227 H237 G239	R182-H229 WeakPolarHBondContact CD-NE2 3.25Å; R182-H229 PolarHBondContact NE-NE2 3.39Å; R182-H229 PolarHBondContact NH1-CE1 3.16Å; R182-H229 PolarHBondContact NH1-NE2 2.92Å; R182-H229 PolarHBondContact NH2-CE1 3.34Å; R182-H229 PolarHBondContact O-NE2 3.29Å; A186-H229 VanDerWaalsContact CA-CE1 3.41Å; A186-H229 WeakPolarHBondContact CA-CE1 3.12Å; A186-H229 WeakPolarHBondContact CB-CE1 3.27Å; A186-H229 PolarHBondContact N-NE2 3.24Å; R227-H229 PolarHBondContact O-N 2.87Å; H229-H237 CarbonylContact O-C 3.59Å; H229-H237 VanDerWaalsContact O-CB 3.31Å; H229-H237 WeakPolarHBondContact O-CB 3.5Å; H229-H237 VanDerWaalsContact O-O 3.11Å; H229-G239 VanDerWaalsContact O-CA 3.26Å; H229-G239 WeakPolarHBondContact O-CA 3.31Å; H229-G239 PolarHBondContact O-N 3.11Å
230	G	43.3	Very low	63.7	Low	27 Å²	27	73.2 Å²	73.2	28%	0.278	38%	0.377	S	S	.	.	S	Bend	trans	-119	-7.1	-169.9	0	0	0	0	0	119.5	R227 L228	R227-G230 PolarHBondContact O-N 3.19Å; L228-G230 PolarHBondContact O-N 3.32Å
231	N	37.9	Very low	63.5	Low	146 Å²	146	71.3 Å²	71.3	78%	0.781	37%	0.374	S	S	*	.	S	Bend	trans	-119.6	2.6	-164.8	-74.7	-2.7	0	0	0	117.2
232	S	35.4	Very low	63.5	Low	117 Å²	117	71 Å²	71	82%	0.818	37%	0.372	S	S	*	.	S	Bend	trans	-161.9	98.6	172.9	-86.1	0	0	0	0	112.7
233	L	37.4	Very low	63.5	Low	137 Å²	137	75.4 Å²	75.4	72%	0.717	39%	0.393	S	S	*	.			trans	151.8	97.2	150.6	-84.9	158.7	0	0	0	106.4	T235 Y236	L233-T235 PolarHBondContact O-N 3.2Å; L233-Y236 PolarHBondContact O-N 3.15Å
234	R	38	Very low	63.9	Low	263 Å²	263	80.6 Å²	80.6	99%	0.992	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	8.6	-177.3	-79.3	-177.1	175.2	-140.4	0.5	115.1
235	T	41	Very low	64.4	Low	99 Å²	99	77.2 Å²	77.2	61%	0.607	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	-12.6	-176.1	32.5	0	0	0	0	115.1	L233	L233-T235 PolarHBondContact O-N 3.2Å
236	Y	42.9	Very low	64.8	Low	102 Å²	102	81.1 Å²	81.1	40%	0.4	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.7	-22.5	-174.2	-71.2	-74.9	0	0	0	120.2	L233	L233-Y236 PolarHBondContact O-N 3.15Å
237	H	50.9	Low	65.3	Low	70 Å²	70	81.5 Å²	81.5	32%	0.324	41%	0.409	S	S	.	.			trans	-148.2	110.6	-170.5	-58.2	-67	0	0	0	112.2	H229	H229-H237 CarbonylContact O-C 3.59Å; H229-H237 VanDerWaalsContact O-CB 3.31Å; H229-H237 WeakPolarHBondContact O-CB 3.5Å; H229-H237 VanDerWaalsContact O-O 3.11Å
238	T	50.7	Low	66.3	Low	68 Å²	68	75.9 Å²	75.9	42%	0.417	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-85.3	122.2	158.5	59.6	0	0	0	0	105.8	C189 R191	C189-T238 PolarHBondContact SG-O 2.99Å; R191-T238 PolarHBondContact NH1-OG1 3.38Å; R191-T238 PolarHBondContact NH2-OG1 3.49Å
239	G	63.4	Low	67.8	Low	20 Å²	20	71.5 Å²	71.5	21%	0.206	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-55.8	161.9	-171.8	0	0	0	0	0	112.9	H229 G241	H229-G239 VanDerWaalsContact O-CA 3.26Å; H229-G239 WeakPolarHBondContact O-CA 3.31Å; H229-G239 PolarHBondContact O-N 3.11Å; G239-G241 PolarHBondContact O-N 2.82Å
240	L	78.5	Confident	69.6	Low	4 Å²	4	75.6 Å²	75.6	2%	0.021	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-74.4	123.7	170.8	-67.9	168.9	0	0	0	107.6	A185 F188 C189 K210 V212 L226	A185-L240 HydrophobicContact CB-CD1 3.86Å; A185-L240 WeakPolarHBondContact O-CD1 3.42Å; F188-L240 HydrophobicContact CB-CD1 3.96Å; F188-L240 HydrophobicContact CB-CD2 4.14Å; F188-L240 HydrophobicContact CD2-CD1 4.47Å; C189-L240 HydrophobicContact CB-CG 4.42Å; K210-L240 HydrophobicContact CB-CD2 4.12Å; K210-L240 HydrophobicContact CD-CD2 4.41Å; K210-L240 CarbonylContact O-C 3.36Å; K210-L240 WeakPolarHBondContact O-CA 3.44Å; V212-L240 HydrophobicContact CG2-CB 4.2Å; V212-L240 HydrophobicContact CG2-CD1 3.87Å; V212-L240 HydrophobicContact CG2-CG 4.43Å; L226-L240 HydrophobicContact CD2-CB 4.11Å; L226-L240 HydrophobicContact CD2-CD1 3.92Å; L226-L240 PolarHBondContact O-N 2.92Å
241	G	83.7	Confident	71.8	Confident	32 Å²	32	83.7 Å²	83.7	33%	0.33	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	156.1	165	0	0	0	0	0	110.1	K210 V211 V212 G239	K210-G241 PolarHBondContact O-N 2.72Å; V211-G241 CarbonylContact C-O 3.02Å; V211-G241 WeakPolarHBondContact CA-O 3.43Å; V212-G241 PolarHBondContact N-O 2.9Å; G239-G241 PolarHBondContact O-N 2.82Å
242	M	90.9	Very high	74.3	Confident	31 Å²	31	81.1 Å²	81.1	15%	0.153	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.2	176.4	-168.9	-179.5	83.3	0	0	109.4	V212 V214 G223 L226 Y244	V212-M242 WeakPolarHBondContact O-CA 3.38Å; V214-M242 HydrophobicContact CG1-CG 4.08Å; V214-M242 HydrophobicContact CG1-SD 4.27Å; V214-M242 HydrophobicContact CG2-CE 4.29Å; V214-M242 HydrophobicContact CG2-CG 3.85Å; V214-M242 HydrophobicContact CG2-SD 3.83Å; G223-M242 VanDerWaalsContact CA-SD 3.55Å; L226-M242 HydrophobicContact CD1-CB 4.11Å; L226-M242 HydrophobicContact CD1-CG 3.71Å; L226-M242 HydrophobicContact CD1-SD 3.79Å; M242-Y244 HydrophobicContact CE-CE1 3.96Å; M242-Y244 HydrophobicContact CE-CE2 3.84Å; M242-Y244 WeakPolarHBondContact CE-OH 3.31Å
243	H	94.7	Very high	76.9	Confident	96 Å²	96	76.4 Å²	76.4	44%	0.444	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	163.3	169	-73.3	-37.4	0	0	0	110.1	V211 V212 W213 V214	V211-H243 HydrophobicContact CG1-CB 4.23Å; V211-H243 VanDerWaalsContact CG1-CD2 3.44Å; V211-H243 WeakPolarHBondContact CG1-CD2 3.34Å; V212-H243 PolarHBondContact O-N 2.75Å; W213-H243 CarbonylContact C-O 3.34Å; W213-H243 WeakPolarHBondContact CA-O 3.46Å; W213-H243 HydrophobicContact CD2-CB 3.59Å; W213-H243 AromaticContact CE2-CD2 3.94Å; W213-H243 HydrophobicContact CE3-CB 3.49Å; W213-H243 VanDerWaalsContact CE3-CB 3.49Å; W213-H243 HydrophobicContact CG-CB 4.3Å; W213-H243 HydrophobicContact CH2-CB 3.83Å; W213-H243 AromaticContact CH2-CD2 3.99Å; W213-H243 HydrophobicContact CZ2-CB 3.92Å; W213-H243 AromaticContact CZ2-CD2 3.59Å; W213-H243 HydrophobicContact CZ3-CB 3.63Å; V214-H243 PolarHBondContact N-O 3.3Å
244	Y	96.5	Very high	79.6	Confident	111 Å²	111	70.9 Å²	70.9	44%	0.435	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	142.3	-179.5	-71.1	-75.6	0	0	0	110.4	W213 V214 N216 M242	W213-Y244 VanDerWaalsContact CZ3-O 3.32Å; W213-Y244 WeakPolarHBondContact CZ3-O 3.38Å; V214-Y244 HydrophobicContact CG2-CD1 3.6Å; V214-Y244 HydrophobicContact CG2-CE1 3.64Å; V214-Y244 HydrophobicContact CG2-CG 4.48Å; V214-Y244 CarbonylContact O-C 3.6Å; V214-Y244 VanDerWaalsContact O-CA 3.28Å; V214-Y244 WeakPolarHBondContact O-CA 3.08Å; N216-Y244 HydrophobicContact CB-CD1 4.06Å; N216-Y244 HydrophobicContact CB-CG 4.38Å; M242-Y244 HydrophobicContact CE-CE1 3.96Å; M242-Y244 HydrophobicContact CE-CE2 3.84Å; M242-Y244 WeakPolarHBondContact CE-OH 3.31Å
245	Y	98	Very high	82.4	Confident	3 Å²	3	60 Å²	60	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	146.8	160.8	59.2	-95.9	0	0	0	109.4	W213 V214 P215 N216 Y247 L260 D263 I273 L274	W213-Y245 HydrophobicContact CB-CD1 3.99Å; W213-Y245 HydrophobicContact CB-CE1 4.49Å; V214-Y245 VanDerWaalsContact C-CD1 3.45Å; V214-Y245 VanDerWaalsContact O-CD1 3.26Å; V214-Y245 WeakPolarHBondContact O-CD1 3.4Å; V214-Y245 PolarHBondContact O-N 3.04Å; P215-Y245 CarbonylContact C-O 3.59Å; P215-Y245 VanDerWaalsContact CA-CZ 3.5Å; P215-Y245 HydrophobicContact CB-CD2 4.34Å; P215-Y245 HydrophobicContact CB-CE1 4.45Å; P215-Y245 HydrophobicContact CB-CE2 3.57Å; P215-Y245 VanDerWaalsContact CD-OH 3.26Å; P215-Y245 WeakPolarHBondContact CD-OH 3.44Å; P215-Y245 HydrophobicContact CG-CE2 4.47Å; P215-Y245 VanDerWaalsContact N-CE1 3.31Å; P215-Y245 VanDerWaalsContact N-CZ 3.31Å; N216-Y245 WeakPolarHBondContact CB-O 3.41Å; N216-Y245 PolarHBondContact N-O 3.15Å; Y245-Y247 HydrophobicContact CE2-CD2 4.01Å; Y245-L260 HydrophobicContact CD2-CD1 3.42Å; Y245-L260 VanDerWaalsContact CD2-CD1 3.42Å; Y245-L260 HydrophobicContact CE2-CD1 3.57Å; Y245-L260 HydrophobicContact CG-CD1 4.47Å; Y245-D263 WeakPolarHBondContact CA-OD2 3.45Å; Y245-I273 HydrophobicContact CD1-CG2 4.46Å; Y245-I273 HydrophobicContact CE1-CG2 3.85Å; Y245-L274 PolarHBondContact OH-O 3.12Å
246	R	98.1	Very high	85.1	Confident	92 Å²	92	57 Å²	57	35%	0.347	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	137.8	177	-73.2	174.5	-75.3	163.1	-3.5	110.5	G259 L260 D262 D263	R246-G259 VanDerWaalsContact NH1-CA 3.26Å; R246-G259 PolarHBondContact NH2-O 2.58Å; R246-L260 VanDerWaalsContact O-CA 3.29Å; R246-L260 WeakPolarHBondContact O-CA 3.46Å; R246-L260 WeakPolarHBondContact O-CB 3.47Å; R246-D262 IonicContact NH1-OD2 2.72Å; R246-D262 IonicContact NH2-OD2 2.75Å; R246-D262 PolarHBondContact NH2-OD2 3.31Å; R246-D263 WeakPolarHBondContact CB-OD2 3.3Å; R246-D263 WeakPolarHBondContact CG-OD2 3.33Å; R246-D263 IonicContact CZ-OD1 3.22Å; R246-D263 PolarHBondContact N-OD2 3.13Å; R246-D263 IonicContact NE-OD1 3.71Å; R246-D263 PolarHBondContact NE-OD1 3.34Å; R246-D263 VanDerWaalsContact NE-OD1 3.12Å; R246-D263 IonicContact NE-OD2 2.68Å; R246-D263 PolarHBondContact NE-OD2 3.24Å; R246-D263 IonicContact NH2-OD1 3.88Å; R246-D263 PolarHBondContact NH2-OD1 3.48Å
247	Y	98.1	Very high	87.7	Confident	9 Å²	9	54.8 Å²	54.8	4%	0.035	29%	0.288	C	S	.	.			trans	-145.6	-58.5	-176.5	-170.6	-97.5	0	0	0	111.4	P215 Y245 I255 D256 L260 H280 V285 L287	P215-Y247 HydrophobicContact CB-CD1 4.2Å; P215-Y247 HydrophobicContact CB-CD2 3.98Å; P215-Y247 HydrophobicContact CB-CG 3.67Å; Y245-Y247 HydrophobicContact CE2-CD2 4.01Å; Y247-I255 HydrophobicContact CD1-CD1 4.08Å; Y247-I255 HydrophobicContact CD2-CD1 3.69Å; Y247-I255 HydrophobicContact CE1-CD1 3.99Å; Y247-I255 HydrophobicContact CE2-CD1 3.62Å; Y247-I255 HydrophobicContact CG-CD1 3.94Å; Y247-I255 CarbonylContact O-C 3.55Å; Y247-I255 WeakPolarHBondContact O-CA 3.44Å; Y247-I255 WeakPolarHBondContact O-CD1 3.46Å; Y247-D256 PolarHBondContact O-N 3.2Å; Y247-L260 HydrophobicContact CD2-CD1 4.46Å; Y247-H280 AromaticContact CD1-CE1 3.9Å; Y247-H280 AromaticContact CD1-NE2 3.97Å; Y247-H280 HydrophobicContact CE1-CB 4.07Å; Y247-H280 AromaticContact CE1-CD2 3.61Å; Y247-H280 AromaticContact CE1-CE1 3.9Å; Y247-H280 AromaticContact CE1-CG 3.53Å; Y247-H280 AromaticContact CE1-ND1 3.72Å; Y247-H280 AromaticContact CE1-NE2 3.89Å; Y247-V285 WeakPolarHBondContact CE1-O 3.3Å; Y247-V285 PolarHBondContact OH-O 3.26Å; Y247-L287 HydrophobicContact CE2-CD2 4.35Å; Y247-L287 HydrophobicContact CE2-CG 4.25Å
248	Y	96.2	Very high	89.9	Confident	25 Å²	25	55.2 Å²	55.2	10%	0.098	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.6	-179.2	176.1	-101.5	0	0	0	111.5	N216 P250 C253 G254 T283 V285 Y449	N216-Y248 PolarHBondContact O-N 3.31Å; N216-Y248 VanDerWaalsContact O-N 3.13Å; Y248-P250 HydrophobicContact CD1-CG 4.04Å; Y248-P250 HydrophobicContact CE1-CB 4.06Å; Y248-P250 HydrophobicContact CE1-CG 3.97Å; Y248-P250 WeakPolarHBondContact O-CD 3.2Å; Y248-C253 HydrophobicContact CE2-CB 4.44Å; Y248-C253 WeakPolarHBondContact OH-CA 3.2Å; Y248-C253 PolarHBondContact OH-SG 3.19Å; Y248-G254 WeakPolarHBondContact CD2-O 3.24Å; Y248-T283 HydrophobicContact CD2-CG2 3.77Å; Y248-T283 HydrophobicContact CE2-CG2 4.34Å; Y248-T283 HydrophobicContact CG-CG2 3.86Å; Y248-V285 HydrophobicContact CD2-CG2 3.94Å; Y248-V285 HydrophobicContact CE2-CG2 4.1Å; Y248-Y449 HydrophobicContact CD1-CD2 4.27Å; Y248-Y449 AromaticContact CE1-CD2 3.78Å; Y248-Y449 HydrophobicContact CE1-CD2 3.78Å; Y248-Y449 HydrophobicContact CE1-CE2 4.41Å; Y248-Y449 HydrophobicContact CE2-CD2 4.29Å; Y248-Y449 AromaticContact CZ-CD2 3.79Å
249	D	94.5	Very high	92.1	Very high	41 Å²	41	52 Å²	52	22%	0.219	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	110.1	170.3	174.7	15.7	0	0	0	110.6	K251 T252 C253 G254 D256	D249-K251 PolarHBondContact O-N 3.05Å; D249-K251 WeakPolarHBondContact OD1-CB 3.22Å; D249-K251 PolarHBondContact OD1-N 3Å; D249-T252 WeakPolarHBondContact CB-OG1 3.24Å; D249-T252 PolarHBondContact O-N 2.95Å; D249-T252 VanDerWaalsContact OD2-CG2 3.25Å; D249-T252 WeakPolarHBondContact OD2-CG2 3.29Å; D249-T252 PolarHBondContact OD2-N 2.72Å; D249-T252 PolarHBondContact OD2-OG1 2.84Å; D249-C253 WeakPolarHBondContact O-CA 3.34Å; D249-C253 PolarHBondContact O-N 3.11Å; D249-G254 PolarHBondContact N-O 3.47Å; D249-D256 HydrophobicContact CB-CB 4.15Å
250	P	91.1	Very high	93.8	Very high	95 Å²	95	51.2 Å²	51.2	62%	0.617	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-22.3	177.5	-22.4	33.5	0	0	0	114.9	Y248	Y248-P250 HydrophobicContact CD1-CG 4.04Å; Y248-P250 HydrophobicContact CE1-CB 4.06Å; Y248-P250 HydrophobicContact CE1-CG 3.97Å; Y248-P250 WeakPolarHBondContact O-CD 3.2Å
251	K	89.7	Confident	94.7	Very high	196 Å²	196	52.9 Å²	52.9	85%	0.852	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-40.4	-179.3	-63.2	177.8	-179.5	175.5	0	111.7	D249	D249-K251 PolarHBondContact O-N 3.05Å; D249-K251 WeakPolarHBondContact OD1-CB 3.22Å; D249-K251 PolarHBondContact OD1-N 3Å
252	T	90.3	Very high	95.4	Very high	93 Å²	93	55.3 Å²	55.3	57%	0.571	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-12.5	-178.7	56.4	0	0	0	0	113	D249 G254	D249-T252 WeakPolarHBondContact CB-OG1 3.24Å; D249-T252 PolarHBondContact O-N 2.95Å; D249-T252 VanDerWaalsContact OD2-CG2 3.25Å; D249-T252 WeakPolarHBondContact OD2-CG2 3.29Å; D249-T252 PolarHBondContact OD2-N 2.72Å; D249-T252 PolarHBondContact OD2-OG1 2.84Å; T252-G254 PolarHBondContact O-N 3.26Å; T252-G254 PolarHBondContact OG1-N 2.82Å
253	C	91.1	Very high	95.7	Very high	18 Å²	18	55.2 Å²	55.2	12%	0.122	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	22.7	-169.4	-61.7	0	0	0	0	113.7	Y248 D249 V285 H439 Q443	Y248-C253 HydrophobicContact CE2-CB 4.44Å; Y248-C253 WeakPolarHBondContact OH-CA 3.2Å; Y248-C253 PolarHBondContact OH-SG 3.19Å; D249-C253 WeakPolarHBondContact O-CA 3.34Å; D249-C253 PolarHBondContact O-N 3.11Å; C253-V285 WeakPolarHBondContact O-CG2 3.46Å; C253-H439 HydrophobicContact CB-CB 3.85Å; C253-Q443 PolarHBondContact O-NE2 3.32Å
254	G	93.5	Very high	95.9	Very high	20 Å²	20	50.7 Å²	50.7	21%	0.206	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	-156.8	-177.9	0	0	0	0	0	112.5	Y248 D249 T252	Y248-G254 WeakPolarHBondContact CD2-O 3.24Å; D249-G254 PolarHBondContact N-O 3.47Å; T252-G254 PolarHBondContact O-N 3.26Å; T252-G254 PolarHBondContact OG1-N 2.82Å
255	I	96.1	Very high	96	Very high	36 Å²	36	48.4 Å²	48.4	19%	0.185	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	131.2	-179.1	-170.5	81.5	0	0	0	111	Y247 E257 V285 L287	Y247-I255 HydrophobicContact CD1-CD1 4.08Å; Y247-I255 HydrophobicContact CD2-CD1 3.69Å; Y247-I255 HydrophobicContact CE1-CD1 3.99Å; Y247-I255 HydrophobicContact CE2-CD1 3.62Å; Y247-I255 HydrophobicContact CG-CD1 3.94Å; Y247-I255 CarbonylContact O-C 3.55Å; Y247-I255 WeakPolarHBondContact O-CA 3.44Å; Y247-I255 WeakPolarHBondContact O-CD1 3.46Å; I255-E257 VanDerWaalsContact C-N 3.26Å; I255-E257 HydrophobicContact CG2-CB 4.47Å; I255-E257 PolarHBondContact O-N 2.85Å; I255-E257 VanDerWaalsContact O-N 3.14Å; I255-V285 HydrophobicContact CB-CG1 3.88Å; I255-V285 HydrophobicContact CD1-CG1 4.37Å; I255-L287 HydrophobicContact CD1-CD2 3.41Å; I255-L287 VanDerWaalsContact CD1-CD2 3.41Å; I255-L287 HydrophobicContact CD1-CG 4.44Å; I255-L287 HydrophobicContact CG1-CD2 3.61Å
256	D	97.5	Very high	95.9	Very high	35 Å²	35	53.1 Å²	53.1	19%	0.187	29%	0.29	C	S	.	.			trans	-81.1	73.7	162.9	-177.4	6.6	0	0	0	109.1	Y247 D249 S258 G259 L260	Y247-D256 PolarHBondContact O-N 3.2Å; D249-D256 HydrophobicContact CB-CB 4.15Å; D256-S258 VanDerWaalsContact C-N 3.31Å; D256-S258 PolarHBondContact O-N 3.38Å; D256-S258 PolarHBondContact OD1-OG 2.91Å; D256-G259 PolarHBondContact O-N 3.05Å; D256-G259 PolarHBondContact OD1-N 2.77Å; D256-L260 WeakPolarHBondContact O-CB 3.41Å; D256-L260 PolarHBondContact O-N 3.25Å
257	E	97.2	Very high	95.9	Very high	56 Å²	56	48.8 Å²	48.8	26%	0.262	27%	0.273	S	S	.	.	H	α-helix	trans	-59.3	-43.3	-178.4	-178.6	176.9	174	0	0	111.4	I255 G259 L260 I261 Q291 K294	I255-E257 VanDerWaalsContact C-N 3.26Å; I255-E257 HydrophobicContact CG2-CB 4.47Å; I255-E257 PolarHBondContact O-N 2.85Å; I255-E257 VanDerWaalsContact O-N 3.14Å; E257-G259 PolarHBondContact O-N 3.09Å; E257-L260 PolarHBondContact O-N 3.46Å; E257-I261 HydrophobicContact CG-CG1 4.31Å; E257-I261 VanDerWaalsContact O-CG1 3.23Å; E257-I261 WeakPolarHBondContact O-CG1 3.29Å; E257-I261 PolarHBondContact O-N 3.11Å; E257-Q291 HydrophobicContact CG-CG 4.3Å; E257-Q291 PolarHBondContact OE2-NE2 2.69Å; E257-K294 IonicContact OE1-NZ 2.69Å; E257-K294 PolarHBondContact OE1-NZ 3.25Å
258	S	97.4	Very high	95.7	Very high	79 Å²	79	51.5 Å²	51.5	55%	0.552	29%	0.292	S	S	*	.	H	α-helix	trans	-56	-51.2	176.6	37.1	0	0	0	0	111.8	D256 L260 I261 D262	D256-S258 VanDerWaalsContact C-N 3.31Å; D256-S258 PolarHBondContact O-N 3.38Å; D256-S258 PolarHBondContact OD1-OG 2.91Å; S258-L260 PolarHBondContact O-N 2.91Å; S258-I261 PolarHBondContact O-N 2.84Å; S258-D262 WeakPolarHBondContact O-CB 3.39Å; S258-D262 VanDerWaalsContact O-CG 3.24Å; S258-D262 PolarHBondContact O-N 3.34Å
259	G	98	Very high	95.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-69.1	-36.4	-177	0	0	0	0	0	113.3	R246 D256 E257 D263	R246-G259 VanDerWaalsContact NH1-CA 3.26Å; R246-G259 PolarHBondContact NH2-O 2.58Å; D256-G259 PolarHBondContact O-N 3.05Å; D256-G259 PolarHBondContact OD1-N 2.77Å; E257-G259 PolarHBondContact O-N 3.09Å; G259-D263 WeakPolarHBondContact O-CB 3.46Å; G259-D263 PolarHBondContact O-N 2.95Å
260	L	98.2	Very high	95.7	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-57.4	-50.3	172.5	173.6	63.6	0	0	0	111.1	Y245 R246 Y247 D256 E257 S258 L264 L287 V295	Y245-L260 HydrophobicContact CD2-CD1 3.42Å; Y245-L260 VanDerWaalsContact CD2-CD1 3.42Å; Y245-L260 HydrophobicContact CE2-CD1 3.57Å; Y245-L260 HydrophobicContact CG-CD1 4.47Å; R246-L260 VanDerWaalsContact O-CA 3.29Å; R246-L260 WeakPolarHBondContact O-CA 3.46Å; R246-L260 WeakPolarHBondContact O-CB 3.47Å; Y247-L260 HydrophobicContact CD2-CD1 4.46Å; D256-L260 WeakPolarHBondContact O-CB 3.41Å; D256-L260 PolarHBondContact O-N 3.25Å; E257-L260 PolarHBondContact O-N 3.46Å; S258-L260 PolarHBondContact O-N 2.91Å; L260-L264 HydrophobicContact CD1-CD1 3.84Å; L260-L264 HydrophobicContact CD1-CG 4.15Å; L260-L264 HydrophobicContact CG-CD1 4.07Å; L260-L264 WeakPolarHBondContact O-CB 3.49Å; L260-L264 WeakPolarHBondContact O-CG 3.26Å; L260-L264 PolarHBondContact O-N 3.42Å; L260-L287 HydrophobicContact CD2-CD1 3.97Å; L260-L287 HydrophobicContact CD2-CD2 3.69Å; L260-L287 HydrophobicContact CD2-CG 4.45Å; L260-V295 HydrophobicContact CD2-CG2 3.96Å; L260-V295 HydrophobicContact CG-CG2 4.47Å
261	I	98.1	Very high	95.9	Very high	39 Å²	39	55.1 Å²	55.1	20%	0.2	29%	0.29	C	S	.	.	H	α-helix	trans	-65.8	-48.1	-177.7	-65	-66.1	0	0	0	110.7	E257 S258 D263 L264 T265 K294 V295 I298	E257-I261 HydrophobicContact CG-CG1 4.31Å; E257-I261 VanDerWaalsContact O-CG1 3.23Å; E257-I261 WeakPolarHBondContact O-CG1 3.29Å; E257-I261 PolarHBondContact O-N 3.11Å; S258-I261 PolarHBondContact O-N 2.84Å; I261-D263 PolarHBondContact O-N 3.49Å; I261-L264 PolarHBondContact O-N 3.4Å; I261-T265 HydrophobicContact CG2-CG2 4.49Å; I261-T265 VanDerWaalsContact O-CG2 3.27Å; I261-T265 WeakPolarHBondContact O-CG2 3.23Å; I261-T265 PolarHBondContact O-N 3.05Å; I261-K294 HydrophobicContact CD1-CB 3.97Å; I261-V295 HydrophobicContact CD1-CG2 4.49Å; I261-I298 HydrophobicContact CB-CD1 4.46Å; I261-I298 HydrophobicContact CD1-CD1 3.43Å; I261-I298 VanDerWaalsContact CD1-CD1 3.43Å; I261-I298 HydrophobicContact CG1-CD1 4.48Å; I261-I298 HydrophobicContact CG2-CD1 3.84Å
262	D	98.1	Very high	96.2	Very high	83 Å²	83	45.8 Å²	45.8	44%	0.444	25%	0.25	S	C	.	.	H	α-helix	trans	-53.4	-51.7	176.9	-75.1	-13.3	0	0	0	111.3	R246 S258 L264 T265 V266	R246-D262 IonicContact NH1-OD2 2.72Å; R246-D262 IonicContact NH2-OD2 2.75Å; R246-D262 PolarHBondContact NH2-OD2 3.31Å; S258-D262 WeakPolarHBondContact O-CB 3.39Å; S258-D262 VanDerWaalsContact O-CG 3.24Å; S258-D262 PolarHBondContact O-N 3.34Å; D262-L264 PolarHBondContact O-N 3.33Å; D262-T265 PolarHBondContact O-N 3.5Å; D262-T265 VanDerWaalsContact O-N 3.16Å; D262-T265 PolarHBondContact O-OG1 3.33Å; D262-V266 PolarHBondContact O-N 3.03Å
263	D	98.3	Very high	96.6	Very high	29 Å²	29	41.4 Å²	41.4	16%	0.155	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-46	-176.9	-68	-5.5	0	0	0	110.7	Y245 R246 G259 I261 T265 V266 I267	Y245-D263 WeakPolarHBondContact CA-OD2 3.45Å; R246-D263 WeakPolarHBondContact CB-OD2 3.3Å; R246-D263 WeakPolarHBondContact CG-OD2 3.33Å; R246-D263 IonicContact CZ-OD1 3.22Å; R246-D263 PolarHBondContact N-OD2 3.13Å; R246-D263 IonicContact NE-OD1 3.71Å; R246-D263 PolarHBondContact NE-OD1 3.34Å; R246-D263 VanDerWaalsContact NE-OD1 3.12Å; R246-D263 IonicContact NE-OD2 2.68Å; R246-D263 PolarHBondContact NE-OD2 3.24Å; R246-D263 IonicContact NH2-OD1 3.88Å; R246-D263 PolarHBondContact NH2-OD1 3.48Å; G259-D263 WeakPolarHBondContact O-CB 3.46Å; G259-D263 PolarHBondContact O-N 2.95Å; I261-D263 PolarHBondContact O-N 3.49Å; D263-T265 PolarHBondContact O-N 3.24Å; D263-V266 WeakPolarHBondContact O-CG2 3.4Å; D263-V266 PolarHBondContact O-N 2.94Å; D263-V266 VanDerWaalsContact O-N 3.08Å; D263-I267 VanDerWaalsContact O-CG1 3.25Å; D263-I267 WeakPolarHBondContact O-CG1 3.47Å; D263-I267 PolarHBondContact O-N 3.13Å
264	L	98.2	Very high	97	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.5	-29.3	177.3	-70.3	176	0	0	0	113	L260 I261 D262 I267 I273 V295 I298 R302	L260-L264 HydrophobicContact CD1-CD1 3.84Å; L260-L264 HydrophobicContact CD1-CG 4.15Å; L260-L264 HydrophobicContact CG-CD1 4.07Å; L260-L264 WeakPolarHBondContact O-CB 3.49Å; L260-L264 WeakPolarHBondContact O-CG 3.26Å; L260-L264 PolarHBondContact O-N 3.42Å; I261-L264 PolarHBondContact O-N 3.4Å; D262-L264 PolarHBondContact O-N 3.33Å; L264-I267 HydrophobicContact CD2-CD1 4.14Å; L264-I273 HydrophobicContact CD2-CG2 4.11Å; L264-V295 HydrophobicContact CD1-CB 4.36Å; L264-V295 HydrophobicContact CD1-CG1 3.9Å; L264-V295 HydrophobicContact CD1-CG2 3.97Å; L264-I298 HydrophobicContact CB-CG2 3.72Å; L264-R302 PolarHBondContact O-NH1 3.47Å
265	T	97.4	Very high	97.2	Very high	63 Å²	63	39.9 Å²	39.9	39%	0.387	21%	0.208	S	C	.	.	H	α-helix	trans	-79.3	-13.9	178.3	65	0	0	0	0	114.7	I261 D262 D263 I298 R302	I261-T265 HydrophobicContact CG2-CG2 4.49Å; I261-T265 VanDerWaalsContact O-CG2 3.27Å; I261-T265 WeakPolarHBondContact O-CG2 3.23Å; I261-T265 PolarHBondContact O-N 3.05Å; D262-T265 PolarHBondContact O-N 3.5Å; D262-T265 VanDerWaalsContact O-N 3.16Å; D262-T265 PolarHBondContact O-OG1 3.33Å; D263-T265 PolarHBondContact O-N 3.24Å; T265-I298 HydrophobicContact CG2-CD1 4.34Å; T265-I298 HydrophobicContact CG2-CG2 4.13Å; T265-R302 VanDerWaalsContact C-CZ 3.45Å; T265-R302 PolarHBondContact O-NE 2.91Å; T265-R302 PolarHBondContact O-NH1 3.21Å; T265-R302 PolarHBondContact O-NH2 3.4Å
266	V	97.1	Very high	97.3	Very high	103 Å²	103	38.6 Å²	38.6	62%	0.624	20%	0.201	S	C	*	.	H	α-helix	trans	-111	-18.8	178.6	-60	0	0	0	0	114.1	D262 D263	D262-V266 PolarHBondContact O-N 3.03Å; D263-V266 WeakPolarHBondContact O-CG2 3.4Å; D263-V266 PolarHBondContact O-N 2.94Å; D263-V266 VanDerWaalsContact O-N 3.08Å
267	I	97	Very high	97.3	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.193	C	C	.	.	S	Bend	trans	-51.1	136.1	178	-75.4	167.9	0	0	0	111.4	W213 D263 L264 S271 I273 R302 L304	W213-I267 HydrophobicContact CB-CD1 4.12Å; W213-I267 HydrophobicContact CD2-CD1 3.58Å; W213-I267 HydrophobicContact CD2-CG1 3.62Å; W213-I267 HydrophobicContact CD2-CG2 4.21Å; W213-I267 HydrophobicContact CE3-CD1 3.65Å; W213-I267 HydrophobicContact CE3-CG1 3.72Å; W213-I267 HydrophobicContact CG-CD1 3.79Å; W213-I267 HydrophobicContact CG-CG1 4.2Å; W213-I267 HydrophobicContact CG-CG2 4.21Å; W213-I267 HydrophobicContact CH2-CG1 4.01Å; W213-I267 HydrophobicContact CZ2-CG1 3.91Å; W213-I267 HydrophobicContact CZ2-CG2 4.36Å; W213-I267 HydrophobicContact CZ3-CD1 4.28Å; W213-I267 HydrophobicContact CZ3-CG1 3.91Å; D263-I267 VanDerWaalsContact O-CG1 3.25Å; D263-I267 WeakPolarHBondContact O-CG1 3.47Å; D263-I267 PolarHBondContact O-N 3.13Å; L264-I267 HydrophobicContact CD2-CD1 4.14Å; I267-S271 VanDerWaalsContact CG2-CB 3.48Å; I267-I273 HydrophobicContact CD1-CD1 3.82Å; I267-I273 HydrophobicContact CG2-CD1 3.98Å; I267-R302 PolarHBondContact O-NH1 3.11Å; I267-R302 PolarHBondContact O-NH2 2.97Å; I267-L304 HydrophobicContact CB-CD1 4.39Å; I267-L304 HydrophobicContact CB-CD2 4.44Å; I267-L304 HydrophobicContact CG2-CD1 4.32Å; I267-L304 HydrophobicContact CG2-CD2 3.76Å
268	P	95.5	Very high	97.3	Very high	65 Å²	65	34.9 Å²	34.9	42%	0.422	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-57.9	140.9	-178.6	-26.6	34.8	0	0	0	113.4	P209 S271 L304	P209-P268 HydrophobicContact CG-CB 4.27Å; P268-S271 WeakPolarHBondContact O-CB 3.23Å; P268-S271 PolarHBondContact O-N 2.84Å; P268-S271 VanDerWaalsContact O-N 3.08Å; P268-S271 PolarHBondContact O-OG 2.82Å; P268-L304 VanDerWaalsContact O-CD2 3.25Å; P268-L304 WeakPolarHBondContact O-CD2 3.49Å
269	R	95.9	Very high	97.1	Very high	137 Å²	137	31.2 Å²	31.2	52%	0.517	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	143.6	176.5	-167.3	-171.7	158.5	160.5	0.2	111.1	S271 E303	R269-S271 PolarHBondContact O-N 3.41Å; R269-E303 WeakPolarHBondContact CD-OE2 3.33Å; R269-E303 HydrophobicContact CG-CB 3.91Å; R269-E303 IonicContact CZ-OE1 3.67Å; R269-E303 VanDerWaalsContact CZ-OE1 3.25Å; R269-E303 IonicContact CZ-OE2 2.78Å; R269-E303 VanDerWaalsContact NE-CD 3.3Å; R269-E303 IonicContact NE-OE1 3.9Å; R269-E303 PolarHBondContact NE-OE1 3.46Å; R269-E303 IonicContact NE-OE2 3.12Å; R269-E303 PolarHBondContact NE-OE2 2.94Å; R269-E303 IonicContact NH1-OE2 2.97Å; R269-E303 PolarHBondContact NH1-OE2 2.86Å; R269-E303 IonicContact NH2-OE1 3.29Å; R269-E303 PolarHBondContact NH2-OE1 3.43Å; R269-E303 IonicContact NH2-OE2 3.46Å; R269-E303 PolarHBondContact NH2-OE2 3.15Å
270	R	93.6	Very high	97	Very high	101 Å²	101	31.2 Å²	31.2	38%	0.381	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	15.3	-175.8	-54.9	-177.9	171.4	-173.2	-8.7	114.6	H206 G208 E303	H206-R270 PolarHBondContact CE1-O 3.2Å; H206-R270 PolarHBondContact NE2-O 2.9Å; G208-R270 WeakPolarHBondContact CA-O 3.49Å; R270-E303 WeakPolarHBondContact CA-O 3.08Å; R270-E303 PolarHBondContact N-O 3.33Å
271	S	95.1	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.			trans	-69.7	155	168.7	-60.8	0	0	0	0	111	I267 P268 R269 F305	I267-S271 VanDerWaalsContact CG2-CB 3.48Å; P268-S271 WeakPolarHBondContact O-CB 3.23Å; P268-S271 PolarHBondContact O-N 2.84Å; P268-S271 VanDerWaalsContact O-N 3.08Å; P268-S271 PolarHBondContact O-OG 2.82Å; R269-S271 PolarHBondContact O-N 3.41Å; S271-F305 PolarHBondContact O-N 3.37Å
272	I	97.3	Very high	96.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.1	177.3	-60.8	156.4	0	0	0	108.7	F188 V212 W213 F305 W307	F188-I272 HydrophobicContact CB-CD1 3.75Å; F188-I272 HydrophobicContact CD1-CD1 3.67Å; F188-I272 HydrophobicContact CD1-CG1 4.43Å; F188-I272 HydrophobicContact CD2-CD1 3.86Å; F188-I272 HydrophobicContact CE1-CD1 4.18Å; F188-I272 HydrophobicContact CE2-CD1 4.37Å; F188-I272 HydrophobicContact CE2-CG2 4.25Å; F188-I272 HydrophobicContact CG-CD1 3.5Å; F188-I272 VanDerWaalsContact CG-CD1 3.5Å; F188-I272 HydrophobicContact CZ-CG2 4.39Å; V212-I272 WeakPolarHBondContact CA-O 3.45Å; V212-I272 HydrophobicContact CG1-CG2 4.26Å; V212-I272 HydrophobicContact CG2-CB 4.12Å; V212-I272 HydrophobicContact CG2-CD1 4.23Å; V212-I272 HydrophobicContact CG2-CG2 4.16Å; W213-I272 PolarHBondContact N-O 2.55Å; I272-F305 CarbonylContact C-O 3.47Å; I272-F305 WeakPolarHBondContact CA-O 3.45Å; I272-F305 HydrophobicContact CG1-CB 4.38Å; I272-F305 HydrophobicContact CG1-CD1 4.49Å; I272-F305 HydrophobicContact CG2-CD1 4.41Å; I272-W307 HydrophobicContact CG2-CB 3.9Å; I272-W307 HydrophobicContact CG2-CE3 3.81Å
273	I	98.3	Very high	96.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	112.8	179	-45.7	-56.6	0	0	0	108.5	W213 Y245 L264 I267 L275 I299 L304 F305 W307	W213-I273 HydrophobicContact CB-CD1 3.78Å; W213-I273 HydrophobicContact CG-CD1 4.1Å; Y245-I273 HydrophobicContact CD1-CG2 4.46Å; Y245-I273 HydrophobicContact CE1-CG2 3.85Å; L264-I273 HydrophobicContact CD2-CG2 4.11Å; I267-I273 HydrophobicContact CD1-CD1 3.82Å; I267-I273 HydrophobicContact CG2-CD1 3.98Å; I273-L275 HydrophobicContact CG2-CD2 3.92Å; I273-L275 HydrophobicContact CG2-CG 4.08Å; I273-I299 HydrophobicContact CB-CD1 4.49Å; I273-I299 HydrophobicContact CG2-CD1 4.48Å; I273-L304 HydrophobicContact CD1-CB 4.41Å; I273-L304 HydrophobicContact CD1-CD1 4.05Å; I273-L304 HydrophobicContact CG1-CB 3.85Å; I273-L304 HydrophobicContact CG1-CD1 4.04Å; I273-L304 HydrophobicContact CG1-CG 4.47Å; I273-F305 PolarHBondContact N-O 2.93Å; I273-W307 PolarHBondContact O-N 3.35Å
274	L	98.5	Very high	96.1	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	122.7	173.7	-168.9	151.8	0	0	0	109.4	L181 V212 W213 V214 H222 Y245 W307	L181-L274 HydrophobicContact CD2-CD1 4.29Å; V212-L274 HydrophobicContact CG1-CB 3.93Å; W213-L274 PolarHBondContact O-N 2.79Å; V214-L274 HydrophobicContact CG1-CB 4.06Å; V214-L274 HydrophobicContact CG1-CD1 4.47Å; H222-L274 VanDerWaalsContact CE1-CD2 3.45Å; H222-L274 WeakPolarHBondContact CE1-CD2 3.48Å; Y245-L274 PolarHBondContact OH-O 3.12Å; L274-W307 CarbonylContact C-O 3.59Å; L274-W307 VanDerWaalsContact CA-O 3.23Å; L274-W307 WeakPolarHBondContact CA-O 3.2Å; L274-W307 HydrophobicContact CB-CE3 4.43Å; L274-W307 HydrophobicContact CD1-CD2 4.31Å; L274-W307 HydrophobicContact CD1-CE3 4.01Å; L274-W307 HydrophobicContact CD1-CH2 4.36Å; L274-W307 HydrophobicContact CD1-CZ3 4.05Å; L274-W307 HydrophobicContact CG-CE3 4.48Å
275	L	98.6	Very high	95.9	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.026	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.7	-176.4	-63.3	166	0	0	0	109.7	I273 W292 I299 P306 W307 F308 D309 F330	I273-L275 HydrophobicContact CG2-CD2 3.92Å; I273-L275 HydrophobicContact CG2-CG 4.08Å; L275-W292 HydrophobicContact CD1-CZ3 4.43Å; L275-W292 HydrophobicContact CD2-CZ3 4.38Å; L275-I299 HydrophobicContact CD1-CD1 3.83Å; L275-P306 HydrophobicContact CD1-CB 4.22Å; L275-W307 PolarHBondContact N-O 2.83Å; L275-F308 HydrophobicContact CB-CD1 3.67Å; L275-F308 HydrophobicContact CB-CE1 3.68Å; L275-F308 HydrophobicContact CD1-CD1 4.35Å; L275-F308 HydrophobicContact CD1-CE1 3.69Å; L275-F308 HydrophobicContact CD1-CE2 4.45Å; L275-F308 HydrophobicContact CD1-CZ 3.74Å; L275-F308 HydrophobicContact CG-CE1 4.35Å; L275-F308 CarbonylContact O-C 3.28Å; L275-F308 VanDerWaalsContact O-CA 3.3Å; L275-F308 WeakPolarHBondContact O-CA 3.4Å; L275-D309 PolarHBondContact O-N 3.2Å; L275-F330 HydrophobicContact CD1-CE1 3.99Å; L275-F330 HydrophobicContact CD1-CZ 3.92Å
276	H	98.2	Very high	95.8	Very high	9 Å²	9	23.9 Å²	23.9	4%	0.042	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.6	169.3	-67.7	-133.9	0	0	0	107.4	T218 H222 H280 N281 W292	T218-H276 PolarHBondContact OG1-NE2 3.17Å; H222-H276 AromaticContact CE1-CE1 3.85Å; H222-H276 AromaticContact CE1-NE2 3.38Å; H222-H276 PolarHBondContact CE1-NE2 2.98Å; H222-H276 AromaticContact ND1-NE2 3.88Å; H276-H280 AromaticContact CD2-CD2 3.73Å; H276-H280 AromaticContact CE1-CD2 3.9Å; H276-H280 AromaticContact CG-CD2 3.53Å; H276-H280 AromaticContact ND1-CD2 3.65Å; H276-H280 AromaticContact NE2-CD2 3.95Å; H276-H280 AromaticContact NE2-NE2 3.97Å; H276-N281 PolarHBondContact CE1-O 3.43Å; H276-N281 PolarHBondContact ND1-N 3.4Å; H276-W292 WeakPolarHBondContact O-CH2 3.07Å
277	V	97.7	Very high	95.8	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.018	9%	0.091	C	C	.	.			trans	-68.8	-45.7	-178	-175.5	0	0	0	0	111.4	F308 D309 M310 D323 P326 V327 L339	V277-F308 HydrophobicContact CG2-CB 3.78Å; V277-F308 HydrophobicContact CG2-CD1 3.69Å; V277-F308 HydrophobicContact CG2-CG 4.06Å; V277-D309 PolarHBondContact N-O 3.13Å; V277-M310 HydrophobicContact CB-CB 4.3Å; V277-M310 HydrophobicContact CB-CG 4.05Å; V277-M310 HydrophobicContact CG1-CE 4.09Å; V277-M310 HydrophobicContact CG1-CG 4.41Å; V277-M310 HydrophobicContact CG2-CB 3.66Å; V277-M310 HydrophobicContact CG2-CG 3.85Å; V277-D323 WeakPolarHBondContact CG1-O 3.33Å; V277-P326 HydrophobicContact CG1-CB 4.36Å; V277-P326 HydrophobicContact CG1-CG 4.22Å; V277-P326 WeakPolarHBondContact O-CG 3.43Å; V277-V327 HydrophobicContact CB-CG2 4.4Å; V277-V327 HydrophobicContact CG1-CG2 3.89Å; V277-V327 HydrophobicContact CG2-CG2 3.51Å; V277-L339 HydrophobicContact CG2-CD1 4.36Å
278	C	96	Very high	95.7	Very high	10 Å²	10	23.1 Å²	23.1	7%	0.068	11%	0.111	C	C	.	.	S	Bend	trans	-162	165.2	178.1	58.9	0	0	0	0	109.8	D286 A316 D323	C278-D286 WeakPolarHBondContact CA-OD2 3.42Å; C278-A316 HydrophobicContact CB-CB 3.96Å; C278-D323 PolarHBondContact SG-O 3.03Å
279	A	94.5	Very high	95.7	Very high	2 Å²	2	24 Å²	24	2%	0.017	12%	0.115	C	C	.	.	S	Bend	trans	47.8	61.5	-172.8	0	0	0	0	0	112	N281 D286 Y312 A316	A279-N281 PolarHBondContact O-N 2.92Å; A279-D286 WeakPolarHBondContact CA-OD1 3.44Å; A279-D286 VanDerWaalsContact N-CG 3.25Å; A279-D286 PolarHBondContact N-OD1 2.94Å; A279-D286 PolarHBondContact N-OD2 3.3Å; A279-Y312 HydrophobicContact CB-CD2 3.91Å; A279-Y312 HydrophobicContact CB-CG 3.83Å; A279-Y312 WeakPolarHBondContact O-CD2 3.43Å; A279-A316 HydrophobicContact CB-CB 3.86Å
280	H	96.1	Very high	95.8	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.12	C	C	.	.			trans	-45.8	124.4	-178.2	178.9	-99.4	0	0	0	111.7	P215 P217 Y247 H276 P282 T283 G284 V285 D286	P215-H280 WeakPolarHBondContact CG-NE2 3.35Å; P217-H280 PolarHBondContact O-CE1 3.21Å; P217-H280 PolarHBondContact O-NE2 3.01Å; Y247-H280 AromaticContact CD1-CE1 3.9Å; Y247-H280 AromaticContact CD1-NE2 3.97Å; Y247-H280 HydrophobicContact CE1-CB 4.07Å; Y247-H280 AromaticContact CE1-CD2 3.61Å; Y247-H280 AromaticContact CE1-CE1 3.9Å; Y247-H280 AromaticContact CE1-CG 3.53Å; Y247-H280 AromaticContact CE1-ND1 3.72Å; Y247-H280 AromaticContact CE1-NE2 3.89Å; H276-H280 AromaticContact CD2-CD2 3.73Å; H276-H280 AromaticContact CE1-CD2 3.9Å; H276-H280 AromaticContact CG-CD2 3.53Å; H276-H280 AromaticContact ND1-CD2 3.65Å; H276-H280 AromaticContact NE2-CD2 3.95Å; H276-H280 AromaticContact NE2-NE2 3.97Å; H280-P282 CarbonylContact O-C 3.58Å; H280-T283 PolarHBondContact ND1-OG1 3.46Å; H280-T283 PolarHBondContact O-N 3.43Å; H280-G284 WeakPolarHBondContact O-CA 3.24Å; H280-G284 PolarHBondContact O-N 3.4Å; H280-V285 WeakPolarHBondContact CB-O 3.47Å; H280-D286 PolarHBondContact N-OD1 3.15Å
281	N	93.5	Very high	96	Very high	11 Å²	11	19.6 Å²	19.6	6%	0.059	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	113	177.5	179.2	6.3	0	0	0	108.3	T218 W219 H276 A279 Y312 F447	T218-N281 CarbonylContact C-O 3.53Å; W219-N281 HydrophobicContact CB-CB 4.42Å; W219-N281 PolarHBondContact N-O 2.67Å; H276-N281 PolarHBondContact CE1-O 3.43Å; H276-N281 PolarHBondContact ND1-N 3.4Å; A279-N281 PolarHBondContact O-N 2.92Å; N281-Y312 HydrophobicContact CB-CE2 4.23Å; N281-F447 HydrophobicContact CB-CD2 4.35Å; N281-F447 HydrophobicContact CB-CE2 4.36Å
282	P	92.2	Very high	96.1	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	cis	-110.4	-3.6	27.1	39.6	-38.6	0	0	0	117.5	P217 H280 F447 Y449 R473	P217-P282 HydrophobicContact CB-CG 4.39Å; P217-P282 HydrophobicContact CG-CG 4.07Å; H280-P282 CarbonylContact O-C 3.58Å; P282-F447 WeakPolarHBondContact O-CB 3.45Å; P282-Y449 HydrophobicContact CB-CD1 4.23Å; P282-Y449 HydrophobicContact CB-CE1 3.49Å; P282-Y449 VanDerWaalsContact CB-CE1 3.49Å; P282-Y449 HydrophobicContact CG-CD1 4.3Å; P282-Y449 HydrophobicContact CG-CE1 3.36Å; P282-Y449 HydrophobicContact CG-CE2 4.47Å; P282-Y449 VanDerWaalsContact CG-CZ 3.45Å; P282-Y449 WeakPolarHBondContact CG-OH 3.31Å; P282-Y449 WeakPolarHBondContact O-CD1 3.45Å; P282-R473 VanDerWaalsContact CB-CD 3.43Å; P282-R473 HydrophobicContact CB-CG 4.01Å; P282-R473 WeakPolarHBondContact O-CG 3.49Å
283	T	93.5	Very high	96.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-25.5	-163.6	67.5	0	0	0	0	114.8	P217 Y248 H280 V285 Q443 Y449	P217-T283 HydrophobicContact CG-CG2 3.65Å; Y248-T283 HydrophobicContact CD2-CG2 3.77Å; Y248-T283 HydrophobicContact CE2-CG2 4.34Å; Y248-T283 HydrophobicContact CG-CG2 3.86Å; H280-T283 PolarHBondContact ND1-OG1 3.46Å; H280-T283 PolarHBondContact O-N 3.43Å; T283-V285 PolarHBondContact O-N 2.94Å; T283-V285 PolarHBondContact OG1-N 2.82Å; T283-V285 VanDerWaalsContact OG1-N 3.12Å; T283-Q443 PolarHBondContact O-OE1 3.45Å; T283-Q443 VanDerWaalsContact O-OE1 3.1Å; T283-Y449 HydrophobicContact CG2-CD1 4.38Å; T283-Y449 HydrophobicContact CG2-CD2 3.82Å; T283-Y449 HydrophobicContact CG2-CE2 3.98Å; T283-Y449 HydrophobicContact CG2-CG 4.03Å; T283-Y449 PolarHBondContact O-N 3.03Å
284	G	93.4	Very high	96.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	14%	0.141	C	C	.	.			trans	71.4	5.3	-168.3	0	0	0	0	0	114.2	H280 Q443 I444	H280-G284 WeakPolarHBondContact O-CA 3.24Å; H280-G284 PolarHBondContact O-N 3.4Å; G284-Q443 CarbonylContact O-C 3.37Å; G284-Q443 WeakPolarHBondContact O-CA 3.46Å; G284-I444 WeakPolarHBondContact CA-O 3.23Å; G284-I444 PolarHBondContact O-N 3.49Å
285	V	95.3	Very high	96.2	Very high	13 Å²	13	27.4 Å²	27.4	8%	0.079	14%	0.141	C	C	.	.			trans	-87.5	117.8	177.4	177.3	0	0	0	0	108.8	Y247 Y248 C253 I255 H280 T283 Q443	Y247-V285 WeakPolarHBondContact CE1-O 3.3Å; Y247-V285 PolarHBondContact OH-O 3.26Å; Y248-V285 HydrophobicContact CD2-CG2 3.94Å; Y248-V285 HydrophobicContact CE2-CG2 4.1Å; C253-V285 WeakPolarHBondContact O-CG2 3.46Å; I255-V285 HydrophobicContact CB-CG1 3.88Å; I255-V285 HydrophobicContact CD1-CG1 4.37Å; H280-V285 WeakPolarHBondContact CB-O 3.47Å; T283-V285 PolarHBondContact O-N 2.94Å; T283-V285 PolarHBondContact OG1-N 2.82Å; T283-V285 VanDerWaalsContact OG1-N 3.12Å; V285-Q443 HydrophobicContact CG2-CG 3.98Å
286	D	95.6	Very high	96.2	Very high	37 Å²	37	27.1 Å²	27.1	20%	0.198	14%	0.14	C	C	.	.			trans	-110.4	152.6	176.6	-74.7	-10	0	0	0	111	C278 A279 H280 I444	C278-D286 WeakPolarHBondContact CA-OD2 3.42Å; A279-D286 WeakPolarHBondContact CA-OD1 3.44Å; A279-D286 VanDerWaalsContact N-CG 3.25Å; A279-D286 PolarHBondContact N-OD1 2.94Å; A279-D286 PolarHBondContact N-OD2 3.3Å; H280-D286 PolarHBondContact N-OD1 3.15Å; D286-I444 HydrophobicContact CB-CD1 4.34Å
287	L	96.6	Very high	96.2	Very high	12 Å²	12	31.9 Å²	31.9	6%	0.063	16%	0.162	C	C	.	.			trans	-72.8	143.4	170.7	-59.7	174.7	0	0	0	110.6	Y247 I255 L260 Q291 W292 V295	Y247-L287 HydrophobicContact CE2-CD2 4.35Å; Y247-L287 HydrophobicContact CE2-CG 4.25Å; I255-L287 HydrophobicContact CD1-CD2 3.41Å; I255-L287 VanDerWaalsContact CD1-CD2 3.41Å; I255-L287 HydrophobicContact CD1-CG 4.44Å; I255-L287 HydrophobicContact CG1-CD2 3.61Å; L260-L287 HydrophobicContact CD2-CD1 3.97Å; L260-L287 HydrophobicContact CD2-CD2 3.69Å; L260-L287 HydrophobicContact CD2-CG 4.45Å; L287-Q291 HydrophobicContact CB-CB 3.92Å; L287-Q291 HydrophobicContact CD2-CB 4.04Å; L287-Q291 HydrophobicContact CG-CB 4.43Å; L287-W292 HydrophobicContact CB-CD2 4.06Å; L287-W292 HydrophobicContact CB-CG 4.17Å; L287-W292 HydrophobicContact CB-CZ2 4.22Å; L287-W292 HydrophobicContact CD1-CD2 3.98Å; L287-W292 HydrophobicContact CD1-CE3 3.95Å; L287-W292 HydrophobicContact CD1-CH2 4.07Å; L287-W292 HydrophobicContact CD1-CZ2 4.09Å; L287-W292 HydrophobicContact CD1-CZ3 3.99Å; L287-W292 HydrophobicContact CG-CZ2 4.43Å; L287-W292 PolarHBondContact O-NE1 3Å; L287-W292 VanDerWaalsContact O-NE1 3.1Å; L287-V295 HydrophobicContact CD1-CG2 3.96Å
288	N	95.2	Very high	96.2	Very high	77 Å²	77	32.9 Å²	32.9	41%	0.412	17%	0.167	S	C	.	.			trans	-79.7	174.7	171	72	37.9	0	0	0	111.7	E290 Q291 W292	N288-E290 PolarHBondContact O-N 3.24Å; N288-E290 WeakPolarHBondContact OD1-CB 3.39Å; N288-E290 PolarHBondContact OD1-N 3.45Å; N288-Q291 PolarHBondContact O-N 3.48Å; N288-Q291 WeakPolarHBondContact OD1-CG 3.24Å; N288-Q291 PolarHBondContact OD1-N 3.2Å; N288-W292 PolarHBondContact O-N 3.38Å
289	T	95.5	Very high	96.3	Very high	82 Å²	82	32.4 Å²	32.4	50%	0.503	16%	0.164	S	C	.	.	H	α-helix	trans	-54.4	-46.5	-179.9	-56.1	0	0	0	0	113.1	Q291 W292 L293 Y325	T289-Q291 PolarHBondContact O-N 3.47Å; T289-W292 PolarHBondContact O-N 2.98Å; T289-L293 WeakPolarHBondContact O-CG 3.11Å; T289-L293 PolarHBondContact O-N 3.25Å; T289-L293 VanDerWaalsContact O-N 3.11Å; T289-Y325 HydrophobicContact CG2-CE1 4.03Å; T289-Y325 VanDerWaalsContact CG2-OH 3.32Å; T289-Y325 WeakPolarHBondContact CG2-OH 3.41Å
290	E	97.2	Very high	96.4	Very high	133 Å²	133	39.3 Å²	39.3	62%	0.621	19%	0.189	S	C	*	.	H	α-helix	trans	-65.7	-39.8	-178.7	-62.7	178.2	-175.9	0	0	111.9	N288 L293 K294	N288-E290 PolarHBondContact O-N 3.24Å; N288-E290 WeakPolarHBondContact OD1-CB 3.39Å; N288-E290 PolarHBondContact OD1-N 3.45Å; E290-L293 WeakPolarHBondContact O-CB 3.3Å; E290-L293 PolarHBondContact O-N 2.69Å; E290-K294 WeakPolarHBondContact O-CG 3.43Å; E290-K294 PolarHBondContact O-N 3.06Å
291	Q	97.9	Very high	96.5	Very high	14 Å²	14	47.4 Å²	47.4	7%	0.065	22%	0.224	C	C	.	.	H	α-helix	trans	-66.5	-41.7	176.6	-71.4	168.1	-21.9	0	0	111.5	E257 L287 N288 T289 L293 K294 V295	E257-Q291 HydrophobicContact CG-CG 4.3Å; E257-Q291 PolarHBondContact OE2-NE2 2.69Å; L287-Q291 HydrophobicContact CB-CB 3.92Å; L287-Q291 HydrophobicContact CD2-CB 4.04Å; L287-Q291 HydrophobicContact CG-CB 4.43Å; N288-Q291 PolarHBondContact O-N 3.48Å; N288-Q291 WeakPolarHBondContact OD1-CG 3.24Å; N288-Q291 PolarHBondContact OD1-N 3.2Å; T289-Q291 PolarHBondContact O-N 3.47Å; Q291-L293 VanDerWaalsContact C-N 3.32Å; Q291-L293 PolarHBondContact O-N 3.48Å; Q291-K294 PolarHBondContact O-N 3.13Å; Q291-V295 WeakPolarHBondContact O-CG2 3.19Å; Q291-V295 PolarHBondContact O-N 2.96Å
292	W	98.3	Very high	96.6	Very high	11 Å²	11	50 Å²	50	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-37.6	175.2	-81.2	120.2	0	0	0	113	L275 H276 L287 N288 T289 V295 S296 F308 Y325 P326 L329 F330	L275-W292 HydrophobicContact CD1-CZ3 4.43Å; L275-W292 HydrophobicContact CD2-CZ3 4.38Å; H276-W292 WeakPolarHBondContact O-CH2 3.07Å; L287-W292 HydrophobicContact CB-CD2 4.06Å; L287-W292 HydrophobicContact CB-CG 4.17Å; L287-W292 HydrophobicContact CB-CZ2 4.22Å; L287-W292 HydrophobicContact CD1-CD2 3.98Å; L287-W292 HydrophobicContact CD1-CE3 3.95Å; L287-W292 HydrophobicContact CD1-CH2 4.07Å; L287-W292 HydrophobicContact CD1-CZ2 4.09Å; L287-W292 HydrophobicContact CD1-CZ3 3.99Å; L287-W292 HydrophobicContact CG-CZ2 4.43Å; L287-W292 PolarHBondContact O-NE1 3Å; L287-W292 VanDerWaalsContact O-NE1 3.1Å; N288-W292 PolarHBondContact O-N 3.38Å; T289-W292 PolarHBondContact O-N 2.98Å; W292-V295 PolarHBondContact O-N 2.97Å; W292-S296 WeakPolarHBondContact O-CB 3.43Å; W292-S296 PolarHBondContact O-N 2.99Å; W292-F308 HydrophobicContact CH2-CE1 4.47Å; W292-F308 HydrophobicContact CZ3-CE1 4.31Å; W292-Y325 HydrophobicContact CB-CE1 4.07Å; W292-Y325 HydrophobicContact CG-CE1 4.48Å; W292-P326 HydrophobicContact CD2-CB 3.7Å; W292-P326 HydrophobicContact CD2-CG 3.7Å; W292-P326 HydrophobicContact CE3-CB 3.9Å; W292-P326 HydrophobicContact CE3-CG 4.38Å; W292-P326 HydrophobicContact CG-CB 4.27Å; W292-P326 HydrophobicContact CG-CG 4.01Å; W292-P326 HydrophobicContact CH2-CB 4.06Å; W292-P326 HydrophobicContact CH2-CG 4.34Å; W292-P326 HydrophobicContact CZ2-CB 3.87Å; W292-P326 HydrophobicContact CZ2-CG 3.64Å; W292-P326 HydrophobicContact CZ3-CB 4.08Å; W292-P326 VanDerWaalsContact NE1-CG 3.35Å; W292-L329 HydrophobicContact CB-CD2 3.91Å; W292-F330 HydrophobicContact CE3-CE2 4.08Å; W292-F330 HydrophobicContact CZ3-CE2 4.43Å
293	L	98.1	Very high	96.8	Very high	63 Å²	63	54.2 Å²	54.2	33%	0.33	25%	0.253	S	S	.	.	H	α-helix	trans	-58.6	-52.1	173.1	-71.8	167.4	0	0	0	111	T289 E290 Q291 V295 S296 E297 L329	T289-L293 WeakPolarHBondContact O-CG 3.11Å; T289-L293 PolarHBondContact O-N 3.25Å; T289-L293 VanDerWaalsContact O-N 3.11Å; E290-L293 WeakPolarHBondContact O-CB 3.3Å; E290-L293 PolarHBondContact O-N 2.69Å; Q291-L293 VanDerWaalsContact C-N 3.32Å; Q291-L293 PolarHBondContact O-N 3.48Å; L293-V295 PolarHBondContact O-N 2.97Å; L293-S296 PolarHBondContact O-N 3.39Å; L293-E297 WeakPolarHBondContact O-CG 3.44Å; L293-E297 PolarHBondContact O-N 3.25Å; L293-L329 HydrophobicContact CD2-CD1 3.7Å; L293-L329 HydrophobicContact CD2-CD2 4.1Å; L293-L329 HydrophobicContact CD2-CG 4.49Å; L293-L329 HydrophobicContact CG-CD2 4.41Å
294	K	98	Very high	97	Very high	89 Å²	89	54.7 Å²	54.7	39%	0.387	26%	0.255	S	S	.	.	H	α-helix	trans	-57.4	-47.9	177.4	-64.8	175	-168	174.4	0	111.9	E257 I261 E290 Q291 S296 E297 I298	E257-K294 IonicContact OE1-NZ 2.69Å; E257-K294 PolarHBondContact OE1-NZ 3.25Å; I261-K294 HydrophobicContact CD1-CB 3.97Å; E290-K294 WeakPolarHBondContact O-CG 3.43Å; E290-K294 PolarHBondContact O-N 3.06Å; Q291-K294 PolarHBondContact O-N 3.13Å; K294-S296 PolarHBondContact O-N 2.85Å; K294-E297 PolarHBondContact O-N 2.74Å; K294-I298 WeakPolarHBondContact O-CD1 3.24Å; K294-I298 VanDerWaalsContact O-CG1 3.28Å; K294-I298 WeakPolarHBondContact O-CG1 3.33Å; K294-I298 PolarHBondContact O-N 2.83Å
295	V	98.5	Very high	97.2	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-44.7	-179.6	172	0	0	0	0	111.1	L260 I261 L264 L287 Q291 W292 L293 E297 I298 I299 F330	L260-V295 HydrophobicContact CD2-CG2 3.96Å; L260-V295 HydrophobicContact CG-CG2 4.47Å; I261-V295 HydrophobicContact CD1-CG2 4.49Å; L264-V295 HydrophobicContact CD1-CB 4.36Å; L264-V295 HydrophobicContact CD1-CG1 3.9Å; L264-V295 HydrophobicContact CD1-CG2 3.97Å; L287-V295 HydrophobicContact CD1-CG2 3.96Å; Q291-V295 WeakPolarHBondContact O-CG2 3.19Å; Q291-V295 PolarHBondContact O-N 2.96Å; W292-V295 PolarHBondContact O-N 2.97Å; L293-V295 PolarHBondContact O-N 2.97Å; V295-E297 PolarHBondContact O-N 3.26Å; V295-I298 PolarHBondContact O-N 3.15Å; V295-I299 HydrophobicContact CG1-CD1 3.79Å; V295-I299 HydrophobicContact CG1-CG1 4.45Å; V295-I299 WeakPolarHBondContact O-CB 3.23Å; V295-I299 WeakPolarHBondContact O-CG1 3.39Å; V295-I299 PolarHBondContact O-N 2.83Å; V295-F330 HydrophobicContact CG1-CZ 4.17Å
296	S	98.5	Very high	97.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.2	-46	176.2	171.8	0	0	0	0	112	W292 L293 K294 I299 R300 H333 H335	W292-S296 WeakPolarHBondContact O-CB 3.43Å; W292-S296 PolarHBondContact O-N 2.99Å; L293-S296 PolarHBondContact O-N 3.39Å; K294-S296 PolarHBondContact O-N 2.85Å; S296-I299 PolarHBondContact O-N 3.23Å; S296-R300 WeakPolarHBondContact O-CB 3.31Å; S296-R300 PolarHBondContact O-N 3.29Å; S296-H333 PolarHBondContact OG-ND1 2.83Å; S296-H335 PolarHBondContact O-CE1 2.86Å; S296-H335 PolarHBondContact O-NE2 3.24Å; S296-H335 PolarHBondContact OG-NE2 3.08Å
297	E	98.1	Very high	97.5	Very high	108 Å²	108	54.1 Å²	54.1	51%	0.505	25%	0.25	S	C	.	.	H	α-helix	trans	-62.1	-43.7	179.3	-74.4	-177.2	168.3	0	0	112.1	L293 K294 V295 R300 K301	L293-E297 WeakPolarHBondContact O-CG 3.44Å; L293-E297 PolarHBondContact O-N 3.25Å; K294-E297 PolarHBondContact O-N 2.74Å; V295-E297 PolarHBondContact O-N 3.26Å; E297-R300 PolarHBondContact O-N 3.15Å; E297-K301 VanDerWaalsContact O-CB 3.29Å; E297-K301 WeakPolarHBondContact O-CB 3.48Å; E297-K301 PolarHBondContact O-N 3.32Å
298	I	98.2	Very high	97.6	Very high	25 Å²	25	53.5 Å²	53.5	13%	0.128	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-48.2	177.8	-66	163.2	0	0	0	110.5	I261 L264 T265 K294 V295 R300 K301 R302	I261-I298 HydrophobicContact CB-CD1 4.46Å; I261-I298 HydrophobicContact CD1-CD1 3.43Å; I261-I298 VanDerWaalsContact CD1-CD1 3.43Å; I261-I298 HydrophobicContact CG1-CD1 4.48Å; I261-I298 HydrophobicContact CG2-CD1 3.84Å; L264-I298 HydrophobicContact CB-CG2 3.72Å; T265-I298 HydrophobicContact CG2-CD1 4.34Å; T265-I298 HydrophobicContact CG2-CG2 4.13Å; K294-I298 WeakPolarHBondContact O-CD1 3.24Å; K294-I298 VanDerWaalsContact O-CG1 3.28Å; K294-I298 WeakPolarHBondContact O-CG1 3.33Å; K294-I298 PolarHBondContact O-N 2.83Å; V295-I298 PolarHBondContact O-N 3.15Å; I298-R300 VanDerWaalsContact C-N 3.25Å; I298-R300 PolarHBondContact O-N 3.33Å; I298-K301 PolarHBondContact O-N 3.22Å; I298-R302 HydrophobicContact CG2-CG 3.91Å; I298-R302 VanDerWaalsContact O-CB 3.25Å; I298-R302 WeakPolarHBondContact O-CB 3.38Å; I298-R302 VanDerWaalsContact O-CG 3.24Å; I298-R302 WeakPolarHBondContact O-CG 3.3Å; I298-R302 PolarHBondContact O-N 3.17Å
299	I	98.3	Very high	97.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.2	-42.1	178.3	-74.8	175.7	0	0	0	110.6	I273 L275 V295 S296 E303 L304 P306 F330	I273-I299 HydrophobicContact CB-CD1 4.49Å; I273-I299 HydrophobicContact CG2-CD1 4.48Å; L275-I299 HydrophobicContact CD1-CD1 3.83Å; V295-I299 HydrophobicContact CG1-CD1 3.79Å; V295-I299 HydrophobicContact CG1-CG1 4.45Å; V295-I299 WeakPolarHBondContact O-CB 3.23Å; V295-I299 WeakPolarHBondContact O-CG1 3.39Å; V295-I299 PolarHBondContact O-N 2.83Å; S296-I299 PolarHBondContact O-N 3.23Å; I299-E303 PolarHBondContact O-N 3.08Å; I299-E303 VanDerWaalsContact O-N 3.08Å; I299-L304 HydrophobicContact CB-CB 4.41Å; I299-L304 HydrophobicContact CG1-CB 4.38Å; I299-L304 HydrophobicContact CG1-CD1 4.35Å; I299-L304 HydrophobicContact CG2-CB 4.02Å; I299-L304 WeakPolarHBondContact CG2-O 3.37Å; I299-L304 PolarHBondContact O-N 3.34Å; I299-P306 HydrophobicContact CG2-CB 4.36Å; I299-P306 HydrophobicContact CG2-CG 4.31Å; I299-F330 HydrophobicContact CB-CE1 4.37Å; I299-F330 HydrophobicContact CD1-CE1 3.7Å; I299-F330 HydrophobicContact CD1-CZ 3.91Å; I299-F330 HydrophobicContact CG2-CE1 4.18Å
300	R	97	Very high	97.9	Very high	146 Å²	146	47 Å²	47	55%	0.551	21%	0.209	S	C	*	.	H	α-helix	trans	-66	-50.9	177.5	-168.2	178.6	62.1	80.1	0.1	111.4	S296 E297 I298 R302 E303 H335	S296-R300 WeakPolarHBondContact O-CB 3.31Å; S296-R300 PolarHBondContact O-N 3.29Å; E297-R300 PolarHBondContact O-N 3.15Å; I298-R300 VanDerWaalsContact C-N 3.25Å; I298-R300 PolarHBondContact O-N 3.33Å; R300-R302 VanDerWaalsContact C-N 3.32Å; R300-R302 PolarHBondContact O-N 3.31Å; R300-E303 PolarHBondContact O-N 3.11Å; R300-E303 VanDerWaalsContact O-N 3.13Å; R300-H335 PolarHBondContact N-CE1 2.66Å
301	K	97.1	Very high	97.9	Very high	172 Å²	172	41 Å²	41	75%	0.748	18%	0.183	S	C	*	.	H	α-helix	trans	-63	-36.4	-178.1	-177.1	-179.9	179	-178.6	0	112.6	E297 I298 E303	E297-K301 VanDerWaalsContact O-CB 3.29Å; E297-K301 WeakPolarHBondContact O-CB 3.48Å; E297-K301 PolarHBondContact O-N 3.32Å; I298-K301 PolarHBondContact O-N 3.22Å; K301-E303 VanDerWaalsContact C-N 3.31Å
302	R	96.6	Very high	97.8	Very high	64 Å²	64	40.8 Å²	40.8	24%	0.242	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-0.6	178.9	-60.7	-62.9	-51.9	-43.9	8	112.8	L264 T265 I267 I298 R300 L304	L264-R302 PolarHBondContact O-NH1 3.47Å; T265-R302 VanDerWaalsContact C-CZ 3.45Å; T265-R302 PolarHBondContact O-NE 2.91Å; T265-R302 PolarHBondContact O-NH1 3.21Å; T265-R302 PolarHBondContact O-NH2 3.4Å; I267-R302 PolarHBondContact O-NH1 3.11Å; I267-R302 PolarHBondContact O-NH2 2.97Å; I298-R302 HydrophobicContact CG2-CG 3.91Å; I298-R302 VanDerWaalsContact O-CB 3.25Å; I298-R302 WeakPolarHBondContact O-CB 3.38Å; I298-R302 VanDerWaalsContact O-CG 3.24Å; I298-R302 WeakPolarHBondContact O-CG 3.3Å; I298-R302 PolarHBondContact O-N 3.17Å; R300-R302 VanDerWaalsContact C-N 3.32Å; R300-R302 PolarHBondContact O-N 3.31Å; R302-L304 VanDerWaalsContact C-N 3.27Å; R302-L304 HydrophobicContact CB-CD1 3.96Å; R302-L304 HydrophobicContact CB-CD2 4.31Å; R302-L304 HydrophobicContact CB-CG 3.73Å; R302-L304 PolarHBondContact O-N 3.36Å
303	E	96.4	Very high	97.7	Very high	91 Å²	91	40.5 Å²	40.5	43%	0.425	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	48.3	-177.4	-58.4	169.1	86.9	0	0	112.1	R269 R270 I299 R300 K301	R269-E303 WeakPolarHBondContact CD-OE2 3.33Å; R269-E303 HydrophobicContact CG-CB 3.91Å; R269-E303 IonicContact CZ-OE1 3.67Å; R269-E303 VanDerWaalsContact CZ-OE1 3.25Å; R269-E303 IonicContact CZ-OE2 2.78Å; R269-E303 VanDerWaalsContact NE-CD 3.3Å; R269-E303 IonicContact NE-OE1 3.9Å; R269-E303 PolarHBondContact NE-OE1 3.46Å; R269-E303 IonicContact NE-OE2 3.12Å; R269-E303 PolarHBondContact NE-OE2 2.94Å; R269-E303 IonicContact NH1-OE2 2.97Å; R269-E303 PolarHBondContact NH1-OE2 2.86Å; R269-E303 IonicContact NH2-OE1 3.29Å; R269-E303 PolarHBondContact NH2-OE1 3.43Å; R269-E303 IonicContact NH2-OE2 3.46Å; R269-E303 PolarHBondContact NH2-OE2 3.15Å; R270-E303 WeakPolarHBondContact CA-O 3.08Å; R270-E303 PolarHBondContact N-O 3.33Å; I299-E303 PolarHBondContact O-N 3.08Å; I299-E303 VanDerWaalsContact O-N 3.08Å; R300-E303 PolarHBondContact O-N 3.11Å; R300-E303 VanDerWaalsContact O-N 3.13Å; K301-E303 VanDerWaalsContact C-N 3.31Å
304	L	97.6	Very high	97.5	Very high	9 Å²	9	37.5 Å²	37.5	5%	0.047	16%	0.164	C	C	.	.			trans	-87.8	152.3	173.8	-54.9	176.6	0	0	0	109.2	I267 P268 I273 I299 R302 P306	I267-L304 HydrophobicContact CB-CD1 4.39Å; I267-L304 HydrophobicContact CB-CD2 4.44Å; I267-L304 HydrophobicContact CG2-CD1 4.32Å; I267-L304 HydrophobicContact CG2-CD2 3.76Å; P268-L304 VanDerWaalsContact O-CD2 3.25Å; P268-L304 WeakPolarHBondContact O-CD2 3.49Å; I273-L304 HydrophobicContact CD1-CB 4.41Å; I273-L304 HydrophobicContact CD1-CD1 4.05Å; I273-L304 HydrophobicContact CG1-CB 3.85Å; I273-L304 HydrophobicContact CG1-CD1 4.04Å; I273-L304 HydrophobicContact CG1-CG 4.47Å; I299-L304 HydrophobicContact CB-CB 4.41Å; I299-L304 HydrophobicContact CG1-CB 4.38Å; I299-L304 HydrophobicContact CG1-CD1 4.35Å; I299-L304 HydrophobicContact CG2-CB 4.02Å; I299-L304 WeakPolarHBondContact CG2-O 3.37Å; I299-L304 PolarHBondContact O-N 3.34Å; R302-L304 VanDerWaalsContact C-N 3.27Å; R302-L304 HydrophobicContact CB-CD1 3.96Å; R302-L304 HydrophobicContact CB-CD2 4.31Å; R302-L304 HydrophobicContact CB-CG 3.73Å; R302-L304 PolarHBondContact O-N 3.36Å; L304-P306 WeakPolarHBondContact O-CD 3.42Å
305	F	97.8	Very high	97	Very high	37 Å²	37	33.3 Å²	33.3	16%	0.162	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	112.6	-179.6	-172.3	-87.8	0	0	0	110.7	F188 S271 I272 I273 Q336 A338 F359	F188-F305 HydrophobicContact CE1-CD1 4Å; F188-F305 AromaticContact CE1-CE1 3.67Å; F188-F305 HydrophobicContact CE1-CE1 3.67Å; F188-F305 HydrophobicContact CE1-CZ 4.31Å; F188-F305 HydrophobicContact CZ-CD1 4.06Å; F188-F305 AromaticContact CZ-CE1 3.64Å; F188-F305 HydrophobicContact CZ-CE1 3.64Å; S271-F305 PolarHBondContact O-N 3.37Å; I272-F305 CarbonylContact C-O 3.47Å; I272-F305 WeakPolarHBondContact CA-O 3.45Å; I272-F305 HydrophobicContact CG1-CB 4.38Å; I272-F305 HydrophobicContact CG1-CD1 4.49Å; I272-F305 HydrophobicContact CG2-CD1 4.41Å; I273-F305 PolarHBondContact N-O 2.93Å; F305-Q336 HydrophobicContact CE2-CB 4.24Å; F305-A338 HydrophobicContact CE1-CB 3.85Å; F305-A338 HydrophobicContact CZ-CB 4.25Å; F305-F359 HydrophobicContact CZ-CD1 4.33Å; F305-F359 HydrophobicContact CZ-CE1 4.38Å
306	P	98.4	Very high	96.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	129.8	178.1	30	-34.4	0	0	0	112	L275 I299 L304 F308 F330 H335 Q336 L337 A338	L275-P306 HydrophobicContact CD1-CB 4.22Å; I299-P306 HydrophobicContact CG2-CB 4.36Å; I299-P306 HydrophobicContact CG2-CG 4.31Å; L304-P306 WeakPolarHBondContact O-CD 3.42Å; P306-F308 HydrophobicContact CB-CE2 3.96Å; P306-F330 HydrophobicContact CB-CD1 3.72Å; P306-F330 HydrophobicContact CB-CE1 3.71Å; P306-F330 HydrophobicContact CG-CD1 3.83Å; P306-F330 HydrophobicContact CG-CE1 4.21Å; P306-H335 HydrophobicContact CG-CB 4.15Å; P306-Q336 WeakPolarHBondContact CD-O 3.24Å; P306-Q336 WeakPolarHBondContact CG-O 3.22Å; P306-L337 HydrophobicContact CB-CB 4.48Å; P306-L337 HydrophobicContact CG-CB 3.81Å; P306-L337 WeakPolarHBondContact O-CA 3.41Å; P306-A338 PolarHBondContact O-N 3.03Å; P306-A338 VanDerWaalsContact O-N 3.12Å
307	W	98.5	Very high	96	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	110.4	173.9	177.1	19.6	0	0	0	110.2	L181 A184 A185 F188 V212 L226 I272 I273 L274 L275 A338	L181-W307 HydrophobicContact CB-CZ2 4.14Å; L181-W307 HydrophobicContact CD2-CH2 4.22Å; L181-W307 HydrophobicContact CD2-CZ2 3.39Å; L181-W307 HydrophobicContact CG-CZ2 4.36Å; L181-W307 WeakPolarHBondContact O-CZ2 3.43Å; A184-W307 HydrophobicContact CB-CH2 4.32Å; A184-W307 HydrophobicContact CB-CZ2 3.52Å; A185-W307 HydrophobicContact CB-CH2 4.24Å; F188-W307 HydrophobicContact CD2-CE3 4.21Å; F188-W307 HydrophobicContact CD2-CZ3 4.16Å; F188-W307 AromaticContact CE2-CD2 3.65Å; F188-W307 HydrophobicContact CE2-CD2 3.65Å; F188-W307 AromaticContact CE2-CE3 3.62Å; F188-W307 HydrophobicContact CE2-CE3 3.62Å; F188-W307 HydrophobicContact CE2-CG 4.09Å; F188-W307 HydrophobicContact CE2-CH2 4.36Å; F188-W307 HydrophobicContact CE2-CZ2 4.38Å; F188-W307 AromaticContact CE2-CZ3 3.98Å; F188-W307 HydrophobicContact CE2-CZ3 3.98Å; F188-W307 HydrophobicContact CZ-CD2 4.38Å; F188-W307 HydrophobicContact CZ-CG 4.37Å; V212-W307 HydrophobicContact CG1-CE3 4.08Å; V212-W307 HydrophobicContact CG1-CZ3 4.05Å; V212-W307 HydrophobicContact CG2-CE3 4.46Å; V212-W307 HydrophobicContact CG2-CZ3 4.07Å; L226-W307 HydrophobicContact CD2-CH2 4.26Å; L226-W307 HydrophobicContact CD2-CZ3 3.98Å; I272-W307 HydrophobicContact CG2-CB 3.9Å; I272-W307 HydrophobicContact CG2-CE3 3.81Å; I273-W307 PolarHBondContact O-N 3.35Å; L274-W307 CarbonylContact C-O 3.59Å; L274-W307 VanDerWaalsContact CA-O 3.23Å; L274-W307 WeakPolarHBondContact CA-O 3.2Å; L274-W307 HydrophobicContact CB-CE3 4.43Å; L274-W307 HydrophobicContact CD1-CD2 4.31Å; L274-W307 HydrophobicContact CD1-CE3 4.01Å; L274-W307 HydrophobicContact CD1-CH2 4.36Å; L274-W307 HydrophobicContact CD1-CZ3 4.05Å; L274-W307 HydrophobicContact CG-CE3 4.48Å; L275-W307 PolarHBondContact N-O 2.83Å; W307-A338 CarbonylContact C-O 3.29Å; W307-A338 WeakPolarHBondContact CA-O 3.43Å; W307-A338 HydrophobicContact CB-CB 4.46Å; W307-A338 HydrophobicContact CG-CB 4.2Å
308	F	98.8	Very high	95.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	134.3	-174.8	-73.1	-77.8	0	0	0	113	L275 V277 W292 P306 P326 V327 F330 L337 A338 L339 A340	L275-F308 HydrophobicContact CB-CD1 3.67Å; L275-F308 HydrophobicContact CB-CE1 3.68Å; L275-F308 HydrophobicContact CD1-CD1 4.35Å; L275-F308 HydrophobicContact CD1-CE1 3.69Å; L275-F308 HydrophobicContact CD1-CE2 4.45Å; L275-F308 HydrophobicContact CD1-CZ 3.74Å; L275-F308 HydrophobicContact CG-CE1 4.35Å; L275-F308 CarbonylContact O-C 3.28Å; L275-F308 VanDerWaalsContact O-CA 3.3Å; L275-F308 WeakPolarHBondContact O-CA 3.4Å; V277-F308 HydrophobicContact CG2-CB 3.78Å; V277-F308 HydrophobicContact CG2-CD1 3.69Å; V277-F308 HydrophobicContact CG2-CG 4.06Å; W292-F308 HydrophobicContact CH2-CE1 4.47Å; W292-F308 HydrophobicContact CZ3-CE1 4.31Å; P306-F308 HydrophobicContact CB-CE2 3.96Å; F308-P326 HydrophobicContact CE1-CB 4.18Å; F308-V327 HydrophobicContact CB-CG2 4.19Å; F308-V327 HydrophobicContact CD1-CG2 4.16Å; F308-V327 HydrophobicContact CD2-CG2 4.16Å; F308-V327 HydrophobicContact CG-CG2 3.91Å; F308-F330 HydrophobicContact CE2-CB 4.11Å; F308-F330 AromaticContact CE2-CD1 3.84Å; F308-F330 HydrophobicContact CE2-CD1 3.84Å; F308-F330 HydrophobicContact CE2-CD2 4.45Å; F308-F330 HydrophobicContact CE2-CE1 4.31Å; F308-F330 AromaticContact CE2-CG 3.89Å; F308-F330 HydrophobicContact CE2-CG 3.89Å; F308-F330 HydrophobicContact CZ-CB 4.28Å; F308-F330 AromaticContact CZ-CD1 3.76Å; F308-F330 HydrophobicContact CZ-CD1 3.76Å; F308-F330 AromaticContact CZ-CD2 3.79Å; F308-F330 HydrophobicContact CZ-CD2 3.79Å; F308-F330 AromaticContact CZ-CE1 3.89Å; F308-F330 HydrophobicContact CZ-CE1 3.89Å; F308-F330 AromaticContact CZ-CE2 3.91Å; F308-F330 HydrophobicContact CZ-CE2 3.91Å; F308-F330 AromaticContact CZ-CG 3.68Å; F308-F330 HydrophobicContact CZ-CG 3.68Å; F308-F330 AromaticContact CZ-CZ 3.94Å; F308-F330 HydrophobicContact CZ-CZ 3.94Å; F308-L337 HydrophobicContact CD2-CD2 4.14Å; F308-L337 HydrophobicContact CE2-CD2 4Å; F308-A338 PolarHBondContact N-O 3.26Å; F308-L339 HydrophobicContact CB-CD1 3.57Å; F308-A340 PolarHBondContact O-N 3.08Å
309	D	98.6	Very high	95.3	Very high	17 Å²	17	33.7 Å²	33.7	9%	0.091	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.1	163.1	-174.7	5.2	0	0	0	109.7	L181 H222 L275 V277	L181-D309 HydrophobicContact CD2-CB 4.36Å; H222-D309 IonicContact CE1-OD2 3.37Å; H222-D309 IonicContact NE2-OD2 2.7Å; H222-D309 PolarHBondContact NE2-OD2 2.94Å; L275-D309 PolarHBondContact O-N 3.2Å; V277-D309 PolarHBondContact N-O 3.13Å
310	M	98.2	Very high	95.2	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.02	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	83.8	-173.9	-164.8	-171.7	-150.8	0	0	110.5	A156 V277 Q313 A324 L339 A340 Q341 S342	A156-M310 HydrophobicContact CB-CE 4.41Å; A156-M310 HydrophobicContact CB-SD 3.96Å; V277-M310 HydrophobicContact CB-CB 4.3Å; V277-M310 HydrophobicContact CB-CG 4.05Å; V277-M310 HydrophobicContact CG1-CE 4.09Å; V277-M310 HydrophobicContact CG1-CG 4.41Å; V277-M310 HydrophobicContact CG2-CB 3.66Å; V277-M310 HydrophobicContact CG2-CG 3.85Å; M310-Q313 HydrophobicContact CE-CB 3.74Å; M310-Q313 HydrophobicContact CE-CG 3.51Å; M310-Q313 HydrophobicContact CG-CB 4.22Å; M310-Q313 HydrophobicContact SD-CB 4.27Å; M310-A324 HydrophobicContact CE-CB 3.56Å; M310-L339 HydrophobicContact CB-CD1 3.71Å; M310-L339 HydrophobicContact SD-CD1 4.21Å; M310-L339 HydrophobicContact SD-CD2 4.44Å; M310-A340 PolarHBondContact N-O 3.22Å; M310-Q341 WeakPolarHBondContact O-CA 3.43Å; M310-Q341 HydrophobicContact SD-CG 4.33Å; M310-S342 PolarHBondContact O-N 2.88Å
311	A	97.3	Very high	95.1	Very high	9 Å²	9	32 Å²	32	7%	0.074	16%	0.161	C	C	.	.	S	Bend	trans	-103.1	-13.2	-177.7	0	0	0	0	0	115.2
312	Y	95.8	Very high	94.9	Very high	9 Å²	9	32.1 Å²	32.1	4%	0.035	16%	0.156	C	C	.	.			trans	-127.2	19.9	-167.7	-56.7	-77.7	0	0	0	114.1	A279 N281 G314 F315 A316 K345 M446 F447	A279-Y312 HydrophobicContact CB-CD2 3.91Å; A279-Y312 HydrophobicContact CB-CG 3.83Å; A279-Y312 WeakPolarHBondContact O-CD2 3.43Å; N281-Y312 HydrophobicContact CB-CE2 4.23Å; Y312-G314 PolarHBondContact O-N 3.46Å; Y312-F315 HydrophobicContact CD1-CD1 4.44Å; Y312-F315 WeakPolarHBondContact O-CA 3.46Å; Y312-F315 VanDerWaalsContact O-CB 3.24Å; Y312-F315 WeakPolarHBondContact O-CB 3.39Å; Y312-F315 PolarHBondContact O-N 2.85Å; Y312-A316 PolarHBondContact O-N 3.13Å; Y312-K345 HydrophobicContact CD1-CB 4.18Å; Y312-K345 HydrophobicContact CD1-CG 4Å; Y312-K345 HydrophobicContact CE1-CB 4.37Å; Y312-K345 HydrophobicContact CE1-CD 4.1Å; Y312-K345 HydrophobicContact CE1-CG 3.67Å; Y312-M446 HydrophobicContact CE1-CG 4.31Å; Y312-M446 HydrophobicContact CE1-SD 4.02Å; Y312-F447 HydrophobicContact CE1-CE2 4.37Å; Y312-F447 AromaticContact CZ-CE2 4Å; Y312-F447 WeakPolarHBondContact OH-CE2 3.47Å
313	Q	96.8	Very high	94.9	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.019	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	125.6	-179.9	-169.5	-172.8	6.7	0	0	112	L155 M310 F315 L320 D323 N346	L155-Q313 PolarHBondContact O-NE2 3.35Å; M310-Q313 HydrophobicContact CE-CB 3.74Å; M310-Q313 HydrophobicContact CE-CG 3.51Å; M310-Q313 HydrophobicContact CG-CB 4.22Å; M310-Q313 HydrophobicContact SD-CB 4.27Å; Q313-F315 PolarHBondContact O-N 2.85Å; Q313-L320 HydrophobicContact CG-CD2 4.09Å; Q313-L320 PolarHBondContact NE2-O 2.85Å; Q313-D323 HydrophobicContact CG-CB 4.15Å; Q313-N346 VanDerWaalsContact O-CB 3.22Å; Q313-N346 WeakPolarHBondContact O-CB 3.37Å; Q313-N346 PolarHBondContact O-ND2 2.9Å
314	G	93.6	Very high	95	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-9.8	-175.1	0	0	0	0	0	113.8	Y312 G318 D323	Y312-G314 PolarHBondContact O-N 3.46Å; G314-G318 VanDerWaalsContact O-CA 3.24Å; G314-G318 WeakPolarHBondContact O-CA 3.35Å; G314-G318 PolarHBondContact O-N 3.22Å; G314-D323 VanDerWaalsContact C-OD2 3.25Å; G314-D323 WeakPolarHBondContact CA-OD2 3.47Å; G314-D323 PolarHBondContact N-OD2 3.49Å
315	F	86.3	Confident	95	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-19.1	-177.7	-161.4	-81.8	0	0	0	111.6	Y107 Y312 Q313 D323 M413 I417 M446	Y107-F315 HydrophobicContact CD2-CE2 4.24Å; Y107-F315 AromaticContact CD2-CZ 3.8Å; Y107-F315 HydrophobicContact CD2-CZ 3.8Å; Y107-F315 HydrophobicContact CG-CE2 4.48Å; Y107-F315 HydrophobicContact CG-CZ 4.32Å; Y312-F315 HydrophobicContact CD1-CD1 4.44Å; Y312-F315 WeakPolarHBondContact O-CA 3.46Å; Y312-F315 VanDerWaalsContact O-CB 3.24Å; Y312-F315 WeakPolarHBondContact O-CB 3.39Å; Y312-F315 PolarHBondContact O-N 2.85Å; Q313-F315 PolarHBondContact O-N 2.85Å; F315-D323 PolarHBondContact N-OD2 2.83Å; F315-M413 HydrophobicContact CD2-CE 3.94Å; F315-M413 HydrophobicContact CD2-SD 4.47Å; F315-M413 HydrophobicContact CE2-CB 3.93Å; F315-M413 HydrophobicContact CE2-CE 3.91Å; F315-M413 HydrophobicContact CE2-CG 4.49Å; F315-M413 HydrophobicContact CE2-SD 3.83Å; F315-I417 HydrophobicContact CD1-CD1 4.29Å; F315-I417 HydrophobicContact CE1-CD1 3.16Å; F315-I417 HydrophobicContact CZ-CD1 3.34Å; F315-M446 HydrophobicContact CD1-CG 3.84Å; F315-M446 HydrophobicContact CE1-CB 4.41Å; F315-M446 HydrophobicContact CE1-CG 3.09Å; F315-M446 HydrophobicContact CE1-SD 3.86Å; F315-M446 HydrophobicContact CZ-CG 3.75Å; F315-M446 HydrophobicContact CZ-SD 4.01Å
316	A	87.7	Confident	95	Very high	9 Å²	9	26 Å²	26	7%	0.074	13%	0.129	C	C	.	.	S	Bend	trans	-78.2	-62.3	179.9	0	0	0	0	0	110.1	C278 A279 Y312 D323 I444	C278-A316 HydrophobicContact CB-CB 3.96Å; A279-A316 HydrophobicContact CB-CB 3.86Å; Y312-A316 PolarHBondContact O-N 3.13Å; A316-D323 WeakPolarHBondContact CB-OD2 3.49Å; A316-D323 PolarHBondContact N-OD2 3.31Å; A316-I444 HydrophobicContact CB-CG2 3.57Å; A316-I444 WeakPolarHBondContact O-CG2 3.32Å
317	T	88.9	Confident	95	Very high	40 Å²	40	26 Å²	26	25%	0.245	13%	0.129	C	C	.	.	S	Bend	trans	-103.2	-8.8	-178.2	67	0	0	0	0	114.3	D319 R322 D323	T317-D319 PolarHBondContact OG1-N 2.83Å; T317-D319 PolarHBondContact OG1-O 2.85Å; T317-R322 HydrophobicContact CG2-CG 4.17Å; T317-D323 VanDerWaalsContact CB-OD1 3.25Å; T317-D323 WeakPolarHBondContact CB-OD1 3.34Å; T317-D323 WeakPolarHBondContact CG2-OD1 3.44Å; T317-D323 PolarHBondContact N-OD1 3.27Å; T317-D323 PolarHBondContact N-OD2 3.38Å; T317-D323 PolarHBondContact OG1-OD1 2.93Å
318	G	89.1	Confident	95	Very high	17 Å²	17	28.4 Å²	28.4	18%	0.175	14%	0.138	C	C	.	.	S	Bend	trans	83.5	-0.1	-170.5	0	0	0	0	0	113.4	G314	G314-G318 VanDerWaalsContact O-CA 3.24Å; G314-G318 WeakPolarHBondContact O-CA 3.35Å; G314-G318 PolarHBondContact O-N 3.22Å
319	D	93	Very high	94.9	Very high	77 Å²	77	28.7 Å²	28.7	41%	0.412	14%	0.139	S	C	.	.			trans	-120.6	124.3	179.8	-175.3	-57.1	0	0	0	110	T317 D321 R322 D323	T317-D319 PolarHBondContact OG1-N 2.83Å; T317-D319 PolarHBondContact OG1-O 2.85Å; D319-D321 WeakPolarHBondContact OD1-CA 3.5Å; D319-D321 PolarHBondContact OD1-N 3.02Å; D319-R322 HydrophobicContact CB-CB 3.9Å; D319-R322 PolarHBondContact OD1-N 3.33Å; D319-D323 VanDerWaalsContact O-CB 3.23Å; D319-D323 WeakPolarHBondContact O-CB 3.45Å; D319-D323 PolarHBondContact O-N 2.86Å; D319-D323 VanDerWaalsContact O-N 3.09Å
320	L	95.1	Very high	94.9	Very high	19 Å²	19	27.9 Å²	27.9	10%	0.099	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-33.5	-175.7	-68.8	171.5	0	0	0	113.5	L155 Q313 A324 W406 L407 L410	L155-L320 HydrophobicContact CD1-CD1 3.82Å; L155-L320 HydrophobicContact CD1-CD2 4.29Å; Q313-L320 HydrophobicContact CG-CD2 4.09Å; Q313-L320 PolarHBondContact NE2-O 2.85Å; L320-A324 VanDerWaalsContact O-CB 3.3Å; L320-A324 WeakPolarHBondContact O-CB 3.22Å; L320-A324 PolarHBondContact O-N 2.75Å; L320-W406 HydrophobicContact CD1-CH2 3.99Å; L320-W406 HydrophobicContact CD1-CZ3 3.76Å; L320-W406 HydrophobicContact CD2-CH2 3.6Å; L320-W406 HydrophobicContact CD2-CZ2 4.2Å; L320-W406 HydrophobicContact CD2-CZ3 4.23Å; L320-W406 HydrophobicContact CG-CH2 4.44Å; L320-L407 HydrophobicContact CD1-CD2 3.38Å; L320-L407 HydrophobicContact CG-CD2 4.05Å; L320-L410 HydrophobicContact CD2-CD1 3.91Å; L320-L410 HydrophobicContact CG-CD1 4.4Å
321	D	94.6	Very high	94.9	Very high	91 Å²	91	28.2 Å²	28.2	49%	0.487	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-42.5	-174.8	-66.3	-41.4	0	0	0	109.9	D319 D323 A324 Y325 R328	D319-D321 WeakPolarHBondContact OD1-CA 3.5Å; D319-D321 PolarHBondContact OD1-N 3.02Å; D321-D323 VanDerWaalsContact C-N 3.33Å; D321-D323 PolarHBondContact O-N 3.23Å; D321-A324 CarbonylContact O-C 3.57Å; D321-A324 PolarHBondContact O-N 3.44Å; D321-A324 VanDerWaalsContact O-N 3.13Å; D321-Y325 PolarHBondContact O-N 2.65Å; D321-R328 VanDerWaalsContact CG-NH1 3.32Å; D321-R328 IonicContact OD1-CZ 3.2Å; D321-R328 IonicContact OD1-NH1 3.1Å; D321-R328 PolarHBondContact OD1-NH1 3.48Å; D321-R328 IonicContact OD1-NH2 3.3Å; D321-R328 PolarHBondContact OD1-NH2 3.01Å
322	R	94.8	Very high	94.8	Very high	174 Å²	174	35 Å²	35	66%	0.657	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-60	-44.6	171.8	-173	173.9	178.1	-174.4	-0.1	111.3	T317 D319 A324 Y325	T317-R322 HydrophobicContact CG2-CG 4.17Å; D319-R322 HydrophobicContact CB-CB 3.9Å; D319-R322 PolarHBondContact OD1-N 3.33Å; R322-A324 PolarHBondContact O-N 3.48Å; R322-Y325 VanDerWaalsContact O-CB 3.24Å; R322-Y325 WeakPolarHBondContact O-CB 3.26Å; R322-Y325 PolarHBondContact O-N 3.18Å
323	D	96.5	Very high	94.8	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-71.3	-12.8	178.8	-71.8	3.1	0	0	0	113.2	V277 C278 Q313 G314 F315 A316 T317 D319 D321	V277-D323 WeakPolarHBondContact CG1-O 3.33Å; C278-D323 PolarHBondContact SG-O 3.03Å; Q313-D323 HydrophobicContact CG-CB 4.15Å; G314-D323 VanDerWaalsContact C-OD2 3.25Å; G314-D323 WeakPolarHBondContact CA-OD2 3.47Å; G314-D323 PolarHBondContact N-OD2 3.49Å; F315-D323 PolarHBondContact N-OD2 2.83Å; A316-D323 WeakPolarHBondContact CB-OD2 3.49Å; A316-D323 PolarHBondContact N-OD2 3.31Å; T317-D323 VanDerWaalsContact CB-OD1 3.25Å; T317-D323 WeakPolarHBondContact CB-OD1 3.34Å; T317-D323 WeakPolarHBondContact CG2-OD1 3.44Å; T317-D323 PolarHBondContact N-OD1 3.27Å; T317-D323 PolarHBondContact N-OD2 3.38Å; T317-D323 PolarHBondContact OG1-OD1 2.93Å; D319-D323 VanDerWaalsContact O-CB 3.23Å; D319-D323 WeakPolarHBondContact O-CB 3.45Å; D319-D323 PolarHBondContact O-N 2.86Å; D319-D323 VanDerWaalsContact O-N 3.09Å; D321-D323 VanDerWaalsContact C-N 3.33Å; D321-D323 PolarHBondContact O-N 3.23Å
324	A	97.7	Very high	94.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-102.2	-3	174.9	0	0	0	0	0	113.9	M310 L320 D321 R322 V327 R328	M310-A324 HydrophobicContact CE-CB 3.56Å; L320-A324 VanDerWaalsContact O-CB 3.3Å; L320-A324 WeakPolarHBondContact O-CB 3.22Å; L320-A324 PolarHBondContact O-N 2.75Å; D321-A324 CarbonylContact O-C 3.57Å; D321-A324 PolarHBondContact O-N 3.44Å; D321-A324 VanDerWaalsContact O-N 3.13Å; R322-A324 PolarHBondContact O-N 3.48Å; A324-V327 PolarHBondContact O-N 3.35Å; A324-V327 VanDerWaalsContact O-N 3.15Å; A324-R328 PolarHBondContact O-N 3.33Å
325	Y	97.4	Very high	94.9	Very high	67 Å²	67	41 Å²	41	26%	0.263	21%	0.212	S	C	.	.	H	α-helix	trans	-48.9	-47.5	-172.9	169.8	-100.9	0	0	0	113.7	T289 W292 D321 R322 V327 R328 L329	T289-Y325 HydrophobicContact CG2-CE1 4.03Å; T289-Y325 VanDerWaalsContact CG2-OH 3.32Å; T289-Y325 WeakPolarHBondContact CG2-OH 3.41Å; W292-Y325 HydrophobicContact CB-CE1 4.07Å; W292-Y325 HydrophobicContact CG-CE1 4.48Å; D321-Y325 PolarHBondContact O-N 2.65Å; R322-Y325 VanDerWaalsContact O-CB 3.24Å; R322-Y325 WeakPolarHBondContact O-CB 3.26Å; R322-Y325 PolarHBondContact O-N 3.18Å; Y325-V327 PolarHBondContact O-N 2.94Å; Y325-R328 PolarHBondContact O-N 3.05Å; Y325-R328 VanDerWaalsContact O-N 3.17Å; Y325-L329 HydrophobicContact CE1-CD2 4.11Å; Y325-L329 HydrophobicContact CE2-CB 4.47Å; Y325-L329 WeakPolarHBondContact O-CB 3.23Å; Y325-L329 PolarHBondContact O-N 3.37Å
326	P	97.9	Very high	95.4	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-38.8	-176.8	-27.5	39.9	0	0	0	113.5	V277 W292 F308 F330	V277-P326 HydrophobicContact CG1-CB 4.36Å; V277-P326 HydrophobicContact CG1-CG 4.22Å; V277-P326 WeakPolarHBondContact O-CG 3.43Å; W292-P326 HydrophobicContact CD2-CB 3.7Å; W292-P326 HydrophobicContact CD2-CG 3.7Å; W292-P326 HydrophobicContact CE3-CB 3.9Å; W292-P326 HydrophobicContact CE3-CG 4.38Å; W292-P326 HydrophobicContact CG-CB 4.27Å; W292-P326 HydrophobicContact CG-CG 4.01Å; W292-P326 HydrophobicContact CH2-CB 4.06Å; W292-P326 HydrophobicContact CH2-CG 4.34Å; W292-P326 HydrophobicContact CZ2-CB 3.87Å; W292-P326 HydrophobicContact CZ2-CG 3.64Å; W292-P326 HydrophobicContact CZ3-CB 4.08Å; W292-P326 VanDerWaalsContact NE1-CG 3.35Å; F308-P326 HydrophobicContact CE1-CB 4.18Å; P326-F330 WeakPolarHBondContact O-CD2 3.23Å; P326-F330 PolarHBondContact O-N 3.16Å; P326-F330 VanDerWaalsContact O-N 3.11Å
327	V	98.4	Very high	95.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-45.4	177.2	175.7	0	0	0	0	109.9	F157 V277 F308 A324 Y325 F330 L331 L337 L339	F157-V327 HydrophobicContact CD1-CG1 3.82Å; F157-V327 HydrophobicContact CE1-CG1 3.69Å; V277-V327 HydrophobicContact CB-CG2 4.4Å; V277-V327 HydrophobicContact CG1-CG2 3.89Å; V277-V327 HydrophobicContact CG2-CG2 3.51Å; F308-V327 HydrophobicContact CB-CG2 4.19Å; F308-V327 HydrophobicContact CD1-CG2 4.16Å; F308-V327 HydrophobicContact CD2-CG2 4.16Å; F308-V327 HydrophobicContact CG-CG2 3.91Å; A324-V327 PolarHBondContact O-N 3.35Å; A324-V327 VanDerWaalsContact O-N 3.15Å; Y325-V327 PolarHBondContact O-N 2.94Å; V327-F330 PolarHBondContact O-N 2.99Å; V327-L331 HydrophobicContact CG1-CD1 4.16Å; V327-L331 VanDerWaalsContact O-CG 3.29Å; V327-L331 WeakPolarHBondContact O-CG 3.47Å; V327-L331 PolarHBondContact O-N 3.44Å; V327-L331 VanDerWaalsContact O-N 3.08Å; V327-L337 HydrophobicContact CG1-CD2 4.38Å; V327-L339 HydrophobicContact CG1-CD2 4.43Å; V327-L339 HydrophobicContact CG2-CD1 3.91Å
328	R	97.7	Very high	96.3	Very high	52 Å²	52	42.3 Å²	42.3	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-41.3	-179.1	-63.8	-179	-174.2	-179.6	3.8	111.9	L155 A156 D321 A324 Y325 F330 L331 E332	L155-R328 PolarHBondContact O-NH2 3.44Å; A156-R328 PolarHBondContact O-NE 3.47Å; D321-R328 VanDerWaalsContact CG-NH1 3.32Å; D321-R328 IonicContact OD1-CZ 3.2Å; D321-R328 IonicContact OD1-NH1 3.1Å; D321-R328 PolarHBondContact OD1-NH1 3.48Å; D321-R328 IonicContact OD1-NH2 3.3Å; D321-R328 PolarHBondContact OD1-NH2 3.01Å; A324-R328 PolarHBondContact O-N 3.33Å; Y325-R328 PolarHBondContact O-N 3.05Å; Y325-R328 VanDerWaalsContact O-N 3.17Å; R328-F330 VanDerWaalsContact C-N 3.34Å; R328-F330 PolarHBondContact O-N 3.32Å; R328-L331 PolarHBondContact O-N 2.99Å; R328-E332 WeakPolarHBondContact O-CB 3.37Å; R328-E332 PolarHBondContact O-N 3.3Å
329	L	97.8	Very high	96.8	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-57.5	-46.1	174.6	178.8	67.5	0	0	0	111.9	W292 L293 Y325 L331 E332 H333	W292-L329 HydrophobicContact CB-CD2 3.91Å; L293-L329 HydrophobicContact CD2-CD1 3.7Å; L293-L329 HydrophobicContact CD2-CD2 4.1Å; L293-L329 HydrophobicContact CD2-CG 4.49Å; L293-L329 HydrophobicContact CG-CD2 4.41Å; Y325-L329 HydrophobicContact CE1-CD2 4.11Å; Y325-L329 HydrophobicContact CE2-CB 4.47Å; Y325-L329 WeakPolarHBondContact O-CB 3.23Å; Y325-L329 PolarHBondContact O-N 3.37Å; L329-L331 VanDerWaalsContact C-N 3.33Å; L329-L331 PolarHBondContact O-N 2.93Å; L329-E332 PolarHBondContact O-N 2.86Å; L329-H333 WeakPolarHBondContact O-CB 3.14Å; L329-H333 PolarHBondContact O-N 2.82Å
330	F	98.3	Very high	97.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.6	-37.1	179.5	-84.1	-123.1	0	0	0	111.6	L275 W292 V295 I299 P306 F308 P326 V327 R328 H333 G334 H335 L337	L275-F330 HydrophobicContact CD1-CE1 3.99Å; L275-F330 HydrophobicContact CD1-CZ 3.92Å; W292-F330 HydrophobicContact CE3-CE2 4.08Å; W292-F330 HydrophobicContact CZ3-CE2 4.43Å; V295-F330 HydrophobicContact CG1-CZ 4.17Å; I299-F330 HydrophobicContact CB-CE1 4.37Å; I299-F330 HydrophobicContact CD1-CE1 3.7Å; I299-F330 HydrophobicContact CD1-CZ 3.91Å; I299-F330 HydrophobicContact CG2-CE1 4.18Å; P306-F330 HydrophobicContact CB-CD1 3.72Å; P306-F330 HydrophobicContact CB-CE1 3.71Å; P306-F330 HydrophobicContact CG-CD1 3.83Å; P306-F330 HydrophobicContact CG-CE1 4.21Å; F308-F330 HydrophobicContact CE2-CB 4.11Å; F308-F330 AromaticContact CE2-CD1 3.84Å; F308-F330 HydrophobicContact CE2-CD1 3.84Å; F308-F330 HydrophobicContact CE2-CD2 4.45Å; F308-F330 HydrophobicContact CE2-CE1 4.31Å; F308-F330 AromaticContact CE2-CG 3.89Å; F308-F330 HydrophobicContact CE2-CG 3.89Å; F308-F330 HydrophobicContact CZ-CB 4.28Å; F308-F330 AromaticContact CZ-CD1 3.76Å; F308-F330 HydrophobicContact CZ-CD1 3.76Å; F308-F330 AromaticContact CZ-CD2 3.79Å; F308-F330 HydrophobicContact CZ-CD2 3.79Å; F308-F330 AromaticContact CZ-CE1 3.89Å; F308-F330 HydrophobicContact CZ-CE1 3.89Å; F308-F330 AromaticContact CZ-CE2 3.91Å; F308-F330 HydrophobicContact CZ-CE2 3.91Å; F308-F330 AromaticContact CZ-CG 3.68Å; F308-F330 HydrophobicContact CZ-CG 3.68Å; F308-F330 AromaticContact CZ-CZ 3.94Å; F308-F330 HydrophobicContact CZ-CZ 3.94Å; P326-F330 WeakPolarHBondContact O-CD2 3.23Å; P326-F330 PolarHBondContact O-N 3.16Å; P326-F330 VanDerWaalsContact O-N 3.11Å; V327-F330 PolarHBondContact O-N 2.99Å; R328-F330 VanDerWaalsContact C-N 3.34Å; R328-F330 PolarHBondContact O-N 3.32Å; F330-H333 PolarHBondContact O-N 3.34Å; F330-G334 PolarHBondContact O-N 2.93Å; F330-H335 HydrophobicContact CB-CB 4.25Å; F330-H335 HydrophobicContact CD1-CB 4.38Å; F330-H335 AromaticContact CD1-CD2 3.84Å; F330-H335 AromaticContact CD1-CE1 3.98Å; F330-H335 AromaticContact CD1-CG 3.89Å; F330-H335 AromaticContact CD1-NE2 3.88Å; F330-H335 VanDerWaalsContact O-CB 3.3Å; F330-H335 WeakPolarHBondContact O-CB 3.09Å; F330-H335 PolarHBondContact O-CD2 2.83Å; F330-H335 PolarHBondContact O-N 3.46Å; F330-L337 HydrophobicContact CB-CD2 4.15Å
331	L	97.7	Very high	97.2	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.058	18%	0.182	C	C	.	.	H	α-helix	trans	-66.5	-40.7	174.8	-64.5	170.7	0	0	0	112.1	F157 H161 V163 V327 R328 L329 H333 G334 L337 V360	F157-L331 HydrophobicContact CB-CD1 4.07Å; F157-L331 HydrophobicContact CD1-CD1 3.49Å; F157-L331 VanDerWaalsContact CD1-CD1 3.49Å; F157-L331 HydrophobicContact CD2-CD1 3.83Å; F157-L331 HydrophobicContact CE1-CD1 3.76Å; F157-L331 HydrophobicContact CE2-CD1 4.09Å; F157-L331 HydrophobicContact CG-CD1 3.53Å; F157-L331 HydrophobicContact CZ-CD1 4.06Å; F157-L331 HydrophobicContact CZ-CD2 4.46Å; H161-L331 VanDerWaalsContact CE1-CB 3.46Å; H161-L331 WeakPolarHBondContact CE1-CB 3.35Å; H161-L331 WeakPolarHBondContact NE2-CB 3.32Å; V163-L331 HydrophobicContact CG2-CD2 4.28Å; V327-L331 HydrophobicContact CG1-CD1 4.16Å; V327-L331 VanDerWaalsContact O-CG 3.29Å; V327-L331 WeakPolarHBondContact O-CG 3.47Å; V327-L331 PolarHBondContact O-N 3.44Å; V327-L331 VanDerWaalsContact O-N 3.08Å; R328-L331 PolarHBondContact O-N 2.99Å; L329-L331 VanDerWaalsContact C-N 3.33Å; L329-L331 PolarHBondContact O-N 2.93Å; L331-H333 VanDerWaalsContact C-N 3.34Å; L331-H333 PolarHBondContact O-N 3.3Å; L331-G334 PolarHBondContact O-N 3.37Å; L331-L337 HydrophobicContact CD2-CD1 4.49Å; L331-L337 HydrophobicContact CD2-CD2 3.55Å; L331-L337 HydrophobicContact CD2-CG 3.9Å; L331-L337 HydrophobicContact CG-CD2 3.85Å; L331-V360 HydrophobicContact CD2-CG1 4.41Å; L331-V360 HydrophobicContact CD2-CG2 3.97Å
332	E	95.6	Very high	97.4	Very high	151 Å²	151	33 Å²	33	71%	0.706	16%	0.161	S	C	*	.	H	α-helix	trans	-61.9	-40.7	175.6	-178	175.7	-174.9	0	0	111.8	R328 L329 G334	R328-E332 WeakPolarHBondContact O-CB 3.37Å; R328-E332 PolarHBondContact O-N 3.3Å; L329-E332 PolarHBondContact O-N 2.86Å; E332-G334 PolarHBondContact O-N 2.96Å; E332-G334 VanDerWaalsContact O-N 3.15Å
333	H	95.9	Very high	97.6	Very high	59 Å²	59	24.9 Å²	24.9	27%	0.273	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	5.5	174	-70.5	173	0	0	0	114.3	S296 L329 F330 L331	S296-H333 PolarHBondContact OG-ND1 2.83Å; L329-H333 WeakPolarHBondContact O-CB 3.14Å; L329-H333 PolarHBondContact O-N 2.82Å; F330-H333 PolarHBondContact O-N 3.34Å; L331-H333 VanDerWaalsContact C-N 3.34Å; L331-H333 PolarHBondContact O-N 3.3Å
334	G	95.1	Very high	97.6	Very high	64 Å²	64	24.8 Å²	24.8	66%	0.66	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	19	172.2	0	0	0	0	0	115	F330 L331 E332	F330-G334 PolarHBondContact O-N 2.93Å; L331-G334 PolarHBondContact O-N 3.37Å; E332-G334 PolarHBondContact O-N 2.96Å; E332-G334 VanDerWaalsContact O-N 3.15Å
335	H	97.2	Very high	97.4	Very high	17 Å²	17	26.8 Å²	26.8	8%	0.079	14%	0.139	C	C	.	.			trans	-70.7	137.1	177.1	-67.4	-100.5	0	0	0	111.6	S296 R300 P306 F330	S296-H335 PolarHBondContact O-CE1 2.86Å; S296-H335 PolarHBondContact O-NE2 3.24Å; S296-H335 PolarHBondContact OG-NE2 3.08Å; R300-H335 PolarHBondContact N-CE1 2.66Å; P306-H335 HydrophobicContact CG-CB 4.15Å; F330-H335 HydrophobicContact CB-CB 4.25Å; F330-H335 HydrophobicContact CD1-CB 4.38Å; F330-H335 AromaticContact CD1-CD2 3.84Å; F330-H335 AromaticContact CD1-CE1 3.98Å; F330-H335 AromaticContact CD1-CG 3.89Å; F330-H335 AromaticContact CD1-NE2 3.88Å; F330-H335 VanDerWaalsContact O-CB 3.3Å; F330-H335 WeakPolarHBondContact O-CB 3.09Å; F330-H335 PolarHBondContact O-CD2 2.83Å; F330-H335 PolarHBondContact O-N 3.46Å
336	Q	96.2	Very high	97.3	Very high	77 Å²	77	23.7 Å²	23.7	36%	0.36	13%	0.127	S	C	.	.			trans	-75.6	137	153.2	-66.7	-174.9	-86.1	0	0	108.5	F305 P306 V360 E366	F305-Q336 HydrophobicContact CE2-CB 4.24Å; P306-Q336 WeakPolarHBondContact CD-O 3.24Å; P306-Q336 WeakPolarHBondContact CG-O 3.22Å; Q336-V360 WeakPolarHBondContact CB-O 3.26Å; Q336-V360 PolarHBondContact NE2-O 3.29Å; Q336-E366 PolarHBondContact NE2-OE1 3.31Å; Q336-E366 PolarHBondContact NE2-OE2 3.37Å
337	L	98.2	Very high	97.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.			trans	-145.9	164.8	-175.6	65.6	76.4	0	0	0	112.7	F157 P306 F308 V327 F330 L331 L339 F359 V360	F157-L337 HydrophobicContact CZ-CD1 4.31Å; P306-L337 HydrophobicContact CB-CB 4.48Å; P306-L337 HydrophobicContact CG-CB 3.81Å; P306-L337 WeakPolarHBondContact O-CA 3.41Å; F308-L337 HydrophobicContact CD2-CD2 4.14Å; F308-L337 HydrophobicContact CE2-CD2 4Å; V327-L337 HydrophobicContact CG1-CD2 4.38Å; F330-L337 HydrophobicContact CB-CD2 4.15Å; L331-L337 HydrophobicContact CD2-CD1 4.49Å; L331-L337 HydrophobicContact CD2-CD2 3.55Å; L331-L337 HydrophobicContact CD2-CG 3.9Å; L331-L337 HydrophobicContact CG-CD2 3.85Å; L337-L339 HydrophobicContact CD1-CB 4.12Å; L337-F359 WeakPolarHBondContact O-CA 3.26Å; L337-V360 HydrophobicContact CD1-CG2 3.99Å; L337-V360 HydrophobicContact CG-CG2 4.15Å; L337-V360 PolarHBondContact O-N 3.47Å
338	A	98.6	Very high	97	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.4	163	0	0	0	0	0	110.2	F188 F305 P306 W307 F308 T358 F359	F188-A338 HydrophobicContact CZ-CB 3.98Å; F305-A338 HydrophobicContact CE1-CB 3.85Å; F305-A338 HydrophobicContact CZ-CB 4.25Å; P306-A338 PolarHBondContact O-N 3.03Å; P306-A338 VanDerWaalsContact O-N 3.12Å; W307-A338 CarbonylContact C-O 3.29Å; W307-A338 WeakPolarHBondContact CA-O 3.43Å; W307-A338 HydrophobicContact CB-CB 4.46Å; W307-A338 HydrophobicContact CG-CB 4.2Å; F308-A338 PolarHBondContact N-O 3.26Å; A338-T358 CarbonylContact C-O 3.59Å; A338-T358 VanDerWaalsContact CA-O 3.28Å; A338-T358 WeakPolarHBondContact CA-O 3.35Å; A338-F359 HydrophobicContact CB-CD1 3.88Å; A338-F359 HydrophobicContact CB-CE1 3.67Å; A338-F359 HydrophobicContact CB-CE2 4.36Å; A338-F359 HydrophobicContact CB-CG 4.31Å; A338-F359 HydrophobicContact CB-CZ 3.93Å
339	L	98.8	Very high	96.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	120.1	179.6	177	69.5	0	0	0	110.2	A156 F157 V277 F308 M310 V327 L337 Q341 L357 T358	A156-L339 HydrophobicContact CB-CD2 3.51Å; F157-L339 HydrophobicContact CD1-CD2 4.42Å; F157-L339 HydrophobicContact CE1-CD2 3.75Å; V277-L339 HydrophobicContact CG2-CD1 4.36Å; F308-L339 HydrophobicContact CB-CD1 3.57Å; M310-L339 HydrophobicContact CB-CD1 3.71Å; M310-L339 HydrophobicContact SD-CD1 4.21Å; M310-L339 HydrophobicContact SD-CD2 4.44Å; V327-L339 HydrophobicContact CG1-CD2 4.43Å; V327-L339 HydrophobicContact CG2-CD1 3.91Å; L337-L339 HydrophobicContact CD1-CB 4.12Å; L339-Q341 HydrophobicContact CD1-CG 4.41Å; L339-Q341 HydrophobicContact CD2-CG 3.6Å; L339-Q341 HydrophobicContact CG-CG 3.75Å; L339-L357 WeakPolarHBondContact O-CA 3.43Å; L339-T358 PolarHBondContact N-O 2.92Å; L339-T358 PolarHBondContact O-N 3.3Å
340	A	98.8	Very high	96.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	112.5	169	0	0	0	0	0	109.8	A180 L181 F308 M310	A180-A340 HydrophobicContact CB-CB 3.62Å; L181-A340 HydrophobicContact CD2-CB 3.75Å; L181-A340 HydrophobicContact CG-CB 3.88Å; F308-A340 PolarHBondContact O-N 3.08Å; M310-A340 PolarHBondContact N-O 3.22Å
341	Q	98.5	Very high	96.7	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141.6	178.5	-62	-179.1	-67.1	0	0	111.5	A152 M310 L339 G355 A356	A152-Q341 PolarHBondContact O-NE2 3.43Å; A152-Q341 PolarHBondContact O-OE1 3.03Å; M310-Q341 WeakPolarHBondContact O-CA 3.43Å; M310-Q341 HydrophobicContact SD-CG 4.33Å; L339-Q341 HydrophobicContact CD1-CG 4.41Å; L339-Q341 HydrophobicContact CD2-CG 3.6Å; L339-Q341 HydrophobicContact CG-CG 3.75Å; Q341-G355 WeakPolarHBondContact O-CA 3.49Å; Q341-A356 HydrophobicContact CB-CB 4.48Å; Q341-A356 PolarHBondContact N-O 2.98Å; Q341-A356 PolarHBondContact O-N 2.75Å; Q341-A356 VanDerWaalsContact O-N 3.07Å
342	S	98.5	Very high	96.6	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137	172.8	-174.2	0	0	0	0	111.4	S176 M310 A344	S176-S342 PolarHBondContact OG-OG 3.11Å; M310-S342 PolarHBondContact O-N 2.88Å; S342-A344 WeakPolarHBondContact OG-CB 3.42Å; S342-A344 PolarHBondContact OG-N 3.13Å
343	F	97.9	Very high	96.7	Very high	2 Å²	2	27 Å²	27	1%	0.009	16%	0.162	C	C	.	.			trans	-102.9	10.5	172.3	-59.7	-79.7	0	0	0	113.2	F148 A152 L155 K345 N346 M347 V354 T393 L397	F148-F343 HydrophobicContact CE2-CD2 4.06Å; F148-F343 AromaticContact CE2-CE2 3.76Å; F148-F343 HydrophobicContact CE2-CE2 3.76Å; F148-F343 HydrophobicContact CZ-CD2 4.02Å; F148-F343 AromaticContact CZ-CE2 3.66Å; F148-F343 HydrophobicContact CZ-CE2 3.66Å; A152-F343 HydrophobicContact CB-CE2 3.94Å; A152-F343 HydrophobicContact CB-CZ 3.71Å; L155-F343 HydrophobicContact CD2-CE1 3.8Å; F343-K345 VanDerWaalsContact C-N 3.34Å; F343-K345 PolarHBondContact O-N 3.37Å; F343-N346 WeakPolarHBondContact CA-OD1 3.41Å; F343-N346 PolarHBondContact O-OD1 3.12Å; F343-M347 HydrophobicContact CB-CG 4.48Å; F343-M347 HydrophobicContact CB-SD 4.25Å; F343-M347 HydrophobicContact CD1-CE 4.08Å; F343-M347 HydrophobicContact CD1-CG 4.49Å; F343-M347 HydrophobicContact CD1-SD 4.02Å; F343-M347 HydrophobicContact CE1-CE 4.46Å; F343-M347 HydrophobicContact CG-SD 4.41Å; F343-M347 PolarHBondContact O-N 2.87Å; F343-V354 HydrophobicContact CB-CG1 3.87Å; F343-V354 HydrophobicContact CD2-CG2 4.07Å; F343-V354 PolarHBondContact N-O 2.77Å; F343-V354 VanDerWaalsContact N-O 3.14Å; F343-T393 HydrophobicContact CD1-CG2 3.9Å; F343-T393 HydrophobicContact CD2-CG2 4.08Å; F343-T393 HydrophobicContact CE1-CG2 3.99Å; F343-T393 HydrophobicContact CE2-CG2 4.17Å; F343-T393 HydrophobicContact CG-CG2 3.94Å; F343-T393 HydrophobicContact CZ-CG2 4.13Å; F343-L397 HydrophobicContact CE1-CD1 4.38Å
344	A	96.8	Very high	96.8	Very high	2 Å²	2	24.2 Å²	24.2	2%	0.017	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-37.2	-176.5	0	0	0	0	0	112.8	S342 G348 L349 Y350	S342-A344 WeakPolarHBondContact OG-CB 3.42Å; S342-A344 PolarHBondContact OG-N 3.13Å; A344-G348 CarbonylContact O-C 3.58Å; A344-G348 WeakPolarHBondContact O-CA 3.24Å; A344-G348 PolarHBondContact O-N 3.34Å; A344-L349 PolarHBondContact O-N 3.2Å; A344-Y350 HydrophobicContact CB-CD1 4.2Å; A344-Y350 VanDerWaalsContact O-CD1 3.24Å; A344-Y350 WeakPolarHBondContact O-CD1 3.42Å; A344-Y350 WeakPolarHBondContact O-CE1 3.43Å
345	K	94.4	Very high	96.9	Very high	41 Å²	41	21.2 Å²	21.2	18%	0.178	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-55.1	-173.9	-75.7	74.7	172.5	-173.4	0	112.1	Y312 F343 M347 G348 Y350 M446	Y312-K345 HydrophobicContact CD1-CB 4.18Å; Y312-K345 HydrophobicContact CD1-CG 4Å; Y312-K345 HydrophobicContact CE1-CB 4.37Å; Y312-K345 HydrophobicContact CE1-CD 4.1Å; Y312-K345 HydrophobicContact CE1-CG 3.67Å; F343-K345 VanDerWaalsContact C-N 3.34Å; F343-K345 PolarHBondContact O-N 3.37Å; K345-M347 PolarHBondContact O-N 3.47Å; K345-G348 PolarHBondContact O-N 2.57Å; K345-G348 VanDerWaalsContact O-N 3.13Å; K345-Y350 HydrophobicContact CD-CE1 4.15Å; K345-Y350 HydrophobicContact CG-CE1 3.93Å; K345-M446 HydrophobicContact CG-SD 3.9Å
346	N	94.9	Very high	97	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.011	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.2	-176.2	62.8	1.8	0	0	0	113.4	Q313 F343 W406 L410	Q313-N346 VanDerWaalsContact O-CB 3.22Å; Q313-N346 WeakPolarHBondContact O-CB 3.37Å; Q313-N346 PolarHBondContact O-ND2 2.9Å; F343-N346 WeakPolarHBondContact CA-OD1 3.41Å; F343-N346 PolarHBondContact O-OD1 3.12Å; N346-W406 HydrophobicContact CB-CZ2 4.28Å; N346-W406 PolarHBondContact O-NE1 3.1Å; N346-L410 HydrophobicContact CB-CD2 3.96Å; N346-L410 VanDerWaalsContact O-CD2 3.31Å; N346-L410 WeakPolarHBondContact O-CD2 3.27Å
347	M	95.5	Very high	97.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	2.4	173.4	-62.4	-173.6	172.1	0	0	113.5	V120 F343 K345 L349 T393 I396 L397 W406	V120-M347 VanDerWaalsContact CG2-O 3.32Å; V120-M347 WeakPolarHBondContact CG2-O 3.42Å; F343-M347 HydrophobicContact CB-CG 4.48Å; F343-M347 HydrophobicContact CB-SD 4.25Å; F343-M347 HydrophobicContact CD1-CE 4.08Å; F343-M347 HydrophobicContact CD1-CG 4.49Å; F343-M347 HydrophobicContact CD1-SD 4.02Å; F343-M347 HydrophobicContact CE1-CE 4.46Å; F343-M347 HydrophobicContact CG-SD 4.41Å; F343-M347 PolarHBondContact O-N 2.87Å; K345-M347 PolarHBondContact O-N 3.47Å; M347-L349 HydrophobicContact CB-CD1 3.95Å; M347-L349 HydrophobicContact CB-CG 3.8Å; M347-L349 PolarHBondContact O-N 3.09Å; M347-L349 VanDerWaalsContact O-N 3.13Å; M347-L349 HydrophobicContact SD-CD1 4.31Å; M347-T393 HydrophobicContact CE-CG2 3.79Å; M347-T393 HydrophobicContact SD-CG2 3.61Å; M347-T393 PolarHBondContact SD-OG1 2.98Å; M347-T393 VanDerWaalsContact SD-OG1 3.38Å; M347-I396 HydrophobicContact CE-CB 4.22Å; M347-I396 HydrophobicContact CE-CG2 3.82Å; M347-I396 HydrophobicContact SD-CD1 4.22Å; M347-L397 HydrophobicContact CE-CD1 4.44Å; M347-L397 HydrophobicContact CE-CD2 3.64Å; M347-L397 HydrophobicContact CE-CG 3.86Å; M347-W406 HydrophobicContact CE-CD2 4.17Å; M347-W406 HydrophobicContact CE-CE3 4.44Å; M347-W406 HydrophobicContact CE-CH2 4.11Å; M347-W406 HydrophobicContact CE-CZ2 3.81Å; M347-W406 HydrophobicContact CE-CZ3 4.41Å; M347-W406 HydrophobicContact CG-CZ2 4.25Å
348	G	94.7	Very high	97.2	Very high	22 Å²	22	16.7 Å²	16.7	23%	0.227	10%	0.097	C	C	.	.			trans	62.1	15.8	-175	0	0	0	0	0	114.7	A344 K345 Y350	A344-G348 CarbonylContact O-C 3.58Å; A344-G348 WeakPolarHBondContact O-CA 3.24Å; A344-G348 PolarHBondContact O-N 3.34Å; K345-G348 PolarHBondContact O-N 2.57Å; K345-G348 VanDerWaalsContact O-N 3.13Å; G348-Y350 VanDerWaalsContact O-CD2 3.24Å; G348-Y350 WeakPolarHBondContact O-CD2 3.34Å; G348-Y350 PolarHBondContact O-N 2.8Å
349	L	95.8	Very high	97.2	Very high	6 Å²	6	17 Å²	17	3%	0.031	10%	0.099	C	C	.	.			trans	-86.6	48.5	-177.4	-60.6	-179	0	0	0	111.6	V120 A344 M347 G351 E352 V354 I392 T393	V120-L349 HydrophobicContact CG1-CD2 3.88Å; V120-L349 HydrophobicContact CG2-CD2 4.01Å; A344-L349 PolarHBondContact O-N 3.2Å; M347-L349 HydrophobicContact CB-CD1 3.95Å; M347-L349 HydrophobicContact CB-CG 3.8Å; M347-L349 PolarHBondContact O-N 3.09Å; M347-L349 VanDerWaalsContact O-N 3.13Å; M347-L349 HydrophobicContact SD-CD1 4.31Å; L349-G351 PolarHBondContact O-N 3.32Å; L349-E352 HydrophobicContact CB-CB 4.09Å; L349-E352 HydrophobicContact CB-CG 4.1Å; L349-E352 HydrophobicContact CD2-CG 4.01Å; L349-E352 PolarHBondContact O-N 3Å; L349-V354 HydrophobicContact CB-CG1 3.86Å; L349-V354 HydrophobicContact CD1-CG1 3.8Å; L349-I392 HydrophobicContact CD1-CB 4.49Å; L349-I392 HydrophobicContact CD1-CG2 3.99Å; L349-I392 HydrophobicContact CD2-CG2 4.37Å; L349-T393 WeakPolarHBondContact CD1-OG1 3.13Å
350	Y	94.9	Very high	97.1	Very high	60 Å²	60	17.5 Å²	17.5	24%	0.235	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-50.3	-173.7	-59.4	-83.2	0	0	0	112.6	A106 Y107 A344 K345 G348 R353	A106-Y350 HydrophobicContact CB-CD1 4.06Å; A106-Y350 HydrophobicContact CB-CE1 3.71Å; A106-Y350 HydrophobicContact CB-CE2 4.21Å; A106-Y350 HydrophobicContact CB-CG 4.48Å; Y107-Y350 WeakPolarHBondContact CB-OH 3.47Å; Y107-Y350 PolarHBondContact N-OH 3.23Å; A344-Y350 HydrophobicContact CB-CD1 4.2Å; A344-Y350 VanDerWaalsContact O-CD1 3.24Å; A344-Y350 WeakPolarHBondContact O-CD1 3.42Å; A344-Y350 WeakPolarHBondContact O-CE1 3.43Å; K345-Y350 HydrophobicContact CD-CE1 4.15Å; K345-Y350 HydrophobicContact CG-CE1 3.93Å; G348-Y350 VanDerWaalsContact O-CD2 3.24Å; G348-Y350 WeakPolarHBondContact O-CD2 3.34Å; G348-Y350 PolarHBondContact O-N 2.8Å; Y350-R353 VanDerWaalsContact O-CD 3.28Å; Y350-R353 WeakPolarHBondContact O-CD 3.29Å; Y350-R353 PolarHBondContact O-NH1 2.98Å
351	G	95.5	Very high	97	Very high	67 Å²	67	17.6 Å²	17.6	69%	0.691	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.6	-176.5	0	0	0	0	0	114.5	L349 R353	L349-G351 PolarHBondContact O-N 3.32Å; G351-R353 WeakPolarHBondContact O-CG 3.25Å; G351-R353 PolarHBondContact O-N 3.14Å
352	E	96	Very high	96.8	Very high	57 Å²	57	20.8 Å²	20.8	27%	0.266	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-13.6	177.4	-57.4	-57.5	159.2	0	0	113	L349 V354 H388	L349-E352 HydrophobicContact CB-CB 4.09Å; L349-E352 HydrophobicContact CB-CG 4.1Å; L349-E352 HydrophobicContact CD2-CG 4.01Å; L349-E352 PolarHBondContact O-N 3Å; E352-V354 VanDerWaalsContact C-N 3.31Å; E352-V354 HydrophobicContact CB-CG1 4.4Å; E352-V354 PolarHBondContact O-N 3.21Å; E352-H388 IonicContact OE2-CD2 3.1Å; E352-H388 PolarHBondContact OE2-CD2 2.8Å
353	R	97.8	Very high	96.7	Very high	81 Å²	81	26 Å²	26	31%	0.306	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	45.9	177.2	-46.8	-51.5	-62.2	122.6	3.8	113.5	V175 S176 Y350 G351	V175-R353 CarbonylContact C-O 3.55Å; V175-R353 VanDerWaalsContact C-O 3.29Å; V175-R353 VanDerWaalsContact CA-O 3.27Å; V175-R353 WeakPolarHBondContact CA-O 3.24Å; V175-R353 HydrophobicContact CG1-CB 3.55Å; V175-R353 HydrophobicContact CG1-CG 4.12Å; S176-R353 VanDerWaalsContact CB-CZ 3.41Å; S176-R353 VanDerWaalsContact CB-NH1 3.3Å; S176-R353 VanDerWaalsContact CB-NH2 3.3Å; S176-R353 PolarHBondContact N-O 3.25Å; S176-R353 PolarHBondContact OG-NH1 3.03Å; S176-R353 VanDerWaalsContact OG-NH1 3.15Å; Y350-R353 VanDerWaalsContact O-CD 3.28Å; Y350-R353 WeakPolarHBondContact O-CD 3.29Å; Y350-R353 PolarHBondContact O-NH1 2.98Å; G351-R353 WeakPolarHBondContact O-CG 3.25Å; G351-R353 PolarHBondContact O-N 3.14Å
354	V	98.1	Very high	96.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	135.5	178.7	52.5	0	0	0	0	112.1	F148 S176 F343 L349 E352 A390	F148-V354 HydrophobicContact CD2-CG2 4.43Å; F148-V354 HydrophobicContact CE1-CG2 4.43Å; F148-V354 HydrophobicContact CE2-CG2 3.47Å; F148-V354 VanDerWaalsContact CE2-CG2 3.47Å; F148-V354 HydrophobicContact CZ-CG2 3.48Å; F148-V354 VanDerWaalsContact CZ-CG2 3.48Å; S176-V354 WeakPolarHBondContact CA-O 3.43Å; F343-V354 HydrophobicContact CB-CG1 3.87Å; F343-V354 HydrophobicContact CD2-CG2 4.07Å; F343-V354 PolarHBondContact N-O 2.77Å; F343-V354 VanDerWaalsContact N-O 3.14Å; L349-V354 HydrophobicContact CB-CG1 3.86Å; L349-V354 HydrophobicContact CD1-CG1 3.8Å; E352-V354 VanDerWaalsContact C-N 3.31Å; E352-V354 HydrophobicContact CB-CG1 4.4Å; E352-V354 PolarHBondContact O-N 3.21Å; V354-A390 HydrophobicContact CG2-CB 4.49Å
355	G	98.6	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	179	179.9	0	0	0	0	0	111.9	F148 S174 Q341	F148-G355 VanDerWaalsContact CE1-O 3.32Å; F148-G355 WeakPolarHBondContact CE1-O 3.38Å; F148-G355 WeakPolarHBondContact CZ-O 3.4Å; S174-G355 PolarHBondContact N-O 2.94Å; S174-G355 PolarHBondContact O-N 2.71Å; S174-G355 PolarHBondContact OG-O 3.14Å; Q341-G355 WeakPolarHBondContact O-CA 3.49Å
356	A	98.7	Very high	96.7	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	152.4	176.9	0	0	0	0	0	111.4	F148 A152 T171 V172 S174 A180 Q341	F148-A356 HydrophobicContact CE1-CB 4.33Å; A152-A356 HydrophobicContact CB-CB 4.06Å; T171-A356 HydrophobicContact CG2-CB 4.36Å; V172-A356 CarbonylContact O-C 2.93Å; V172-A356 VanDerWaalsContact O-CA 3.31Å; V172-A356 WeakPolarHBondContact O-CA 3.37Å; S174-A356 PolarHBondContact OG-N 3Å; A180-A356 WeakPolarHBondContact CB-O 3.12Å; Q341-A356 HydrophobicContact CB-CB 4.48Å; Q341-A356 PolarHBondContact N-O 2.98Å; Q341-A356 PolarHBondContact O-N 2.75Å; Q341-A356 VanDerWaalsContact O-N 3.07Å
357	L	98.8	Very high	96.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.6	168.4	174.2	61.6	0	0	0	108.5	T171 V172 A180 L183 A184 L339 F359 L374	T171-L357 CarbonylContact C-O 3.41Å; T171-L357 WeakPolarHBondContact CA-O 3.39Å; V172-L357 HydrophobicContact CG2-CB 3.95Å; V172-L357 PolarHBondContact N-O 3.05Å; V172-L357 PolarHBondContact O-N 3.37Å; A180-L357 HydrophobicContact CB-CB 3.89Å; L183-L357 HydrophobicContact CB-CD2 3.85Å; L183-L357 HydrophobicContact CD2-CD2 3.66Å; L183-L357 HydrophobicContact CG-CD2 3.62Å; A184-L357 HydrophobicContact CB-CD1 3.82Å; A184-L357 HydrophobicContact CB-CD2 4.09Å; L339-L357 WeakPolarHBondContact O-CA 3.43Å; L357-F359 HydrophobicContact CD1-CD2 4.31Å; L357-F359 HydrophobicContact CD1-CE2 3.99Å; L357-F359 HydrophobicContact CD2-CD2 4.42Å; L357-F359 HydrophobicContact CD2-CE2 3.89Å; L357-F359 HydrophobicContact CG-CD2 4.19Å; L357-F359 HydrophobicContact CG-CE2 4.03Å; L357-L374 HydrophobicContact CD2-CD2 4.04Å
358	T	98.8	Very high	96.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.1	174.7	-61.7	0	0	0	0	110.4	V153 F157 N169 A170 T171 A338 L339	V153-T358 HydrophobicContact CG2-CG2 4.01Å; F157-T358 HydrophobicContact CE2-CG2 4.09Å; F157-T358 HydrophobicContact CZ-CG2 3.79Å; N169-T358 HydrophobicContact CB-CG2 3.87Å; A170-T358 WeakPolarHBondContact O-CA 3.43Å; T171-T358 VanDerWaalsContact CG2-OG1 3.31Å; T171-T358 WeakPolarHBondContact CG2-OG1 3.35Å; T171-T358 WeakPolarHBondContact OG1-CG2 3.42Å; T171-T358 PolarHBondContact OG1-OG1 3.21Å; A338-T358 CarbonylContact C-O 3.59Å; A338-T358 VanDerWaalsContact CA-O 3.28Å; A338-T358 WeakPolarHBondContact CA-O 3.35Å; L339-T358 PolarHBondContact N-O 2.92Å; L339-T358 PolarHBondContact O-N 3.3Å
359	F	98.6	Very high	96.8	Very high	7 Å²	7	41.4 Å²	41.4	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	145.6	162.9	-82	-97.4	0	0	0	109.8	N169 A170 A184 F187 F188 F305 L337 A338 L357 I370 L374	N169-F359 CarbonylContact C-O 3.56Å; N169-F359 WeakPolarHBondContact CA-O 3.31Å; A170-F359 HydrophobicContact CB-CB 4.45Å; A170-F359 PolarHBondContact N-O 3.02Å; A170-F359 PolarHBondContact O-N 3.26Å; A184-F359 HydrophobicContact CB-CE2 4.28Å; A184-F359 HydrophobicContact CB-CZ 4.15Å; F187-F359 HydrophobicContact CB-CE2 4.48Å; F187-F359 HydrophobicContact CB-CZ 4.19Å; F187-F359 AromaticContact CD1-CE1 3.75Å; F187-F359 HydrophobicContact CD1-CE1 3.75Å; F187-F359 HydrophobicContact CD1-CE2 4.3Å; F187-F359 AromaticContact CD1-CZ 3.6Å; F187-F359 HydrophobicContact CD1-CZ 3.6Å; F187-F359 HydrophobicContact CE1-CD1 4.43Å; F187-F359 AromaticContact CE1-CE1 3.99Å; F187-F359 HydrophobicContact CE1-CE1 3.99Å; F187-F359 HydrophobicContact CE1-CZ 4.25Å; F187-F359 HydrophobicContact CG-CE2 4.32Å; F187-F359 AromaticContact CG-CZ 4Å; F187-F359 HydrophobicContact CG-CZ 4Å; F188-F359 HydrophobicContact CD1-CE1 4.43Å; F188-F359 AromaticContact CE1-CE1 3.58Å; F188-F359 HydrophobicContact CE1-CE1 3.58Å; F188-F359 AromaticContact CE1-CZ 3.99Å; F188-F359 HydrophobicContact CE1-CZ 3.99Å; F188-F359 HydrophobicContact CE2-CZ 4.45Å; F188-F359 AromaticContact CZ-CE1 3.73Å; F188-F359 HydrophobicContact CZ-CE1 3.73Å; F188-F359 AromaticContact CZ-CZ 3.87Å; F188-F359 HydrophobicContact CZ-CZ 3.87Å; F305-F359 HydrophobicContact CZ-CD1 4.33Å; F305-F359 HydrophobicContact CZ-CE1 4.38Å; L337-F359 WeakPolarHBondContact O-CA 3.26Å; A338-F359 HydrophobicContact CB-CD1 3.88Å; A338-F359 HydrophobicContact CB-CE1 3.67Å; A338-F359 HydrophobicContact CB-CE2 4.36Å; A338-F359 HydrophobicContact CB-CG 4.31Å; A338-F359 HydrophobicContact CB-CZ 3.93Å; L357-F359 HydrophobicContact CD1-CD2 4.31Å; L357-F359 HydrophobicContact CD1-CE2 3.99Å; L357-F359 HydrophobicContact CD2-CD2 4.42Å; L357-F359 HydrophobicContact CD2-CE2 3.89Å; L357-F359 HydrophobicContact CG-CD2 4.19Å; L357-F359 HydrophobicContact CG-CE2 4.03Å; F359-I370 HydrophobicContact CB-CD1 4.28Å; F359-I370 HydrophobicContact CB-CG2 3.74Å; F359-I370 HydrophobicContact CD2-CG2 4.21Å; F359-I370 HydrophobicContact CG-CG2 3.98Å; F359-L374 HydrophobicContact CD2-CD1 4.16Å; F359-L374 HydrophobicContact CD2-CD2 4.48Å; F359-L374 HydrophobicContact CE2-CD2 4.21Å
360	V	98.2	Very high	96.7	Very high	9 Å²	9	41.9 Å²	41.9	6%	0.055	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.9	175.7	-177.9	0	0	0	0	109.9	F157 V163 L331 Q336 L337	F157-V360 HydrophobicContact CE2-CG2 3.88Å; F157-V360 HydrophobicContact CZ-CG2 3.8Å; V163-V360 HydrophobicContact CG1-CG1 3.95Å; V163-V360 HydrophobicContact CG1-CG2 4.12Å; V163-V360 HydrophobicContact CG2-CG1 3.93Å; L331-V360 HydrophobicContact CD2-CG1 4.41Å; L331-V360 HydrophobicContact CD2-CG2 3.97Å; Q336-V360 WeakPolarHBondContact CB-O 3.26Å; Q336-V360 PolarHBondContact NE2-O 3.29Å; L337-V360 HydrophobicContact CD1-CG2 3.99Å; L337-V360 HydrophobicContact CG-CG2 4.15Å; L337-V360 PolarHBondContact O-N 3.47Å
361	G	96	Very high	96.8	Very high	2 Å²	2	40.3 Å²	40.3	2%	0.021	23%	0.231	C	C	.	.			trans	-83.5	163.5	174.1	0	0	0	0	0	112.4	L168 Q363	L168-G361 PolarHBondContact O-N 2.99Å; G361-Q363 VanDerWaalsContact C-N 3.34Å
362	S	94.8	Very high	96.7	Very high	71 Å²	71	39.7 Å²	39.7	50%	0.497	22%	0.216	S	C	.	.	S	Bend	trans	-73.5	-28.5	173.5	65.8	0	0	0	0	112.4	E366	S362-E366 VanDerWaalsContact CB-OE2 3.27Å; S362-E366 WeakPolarHBondContact CB-OE2 3.25Å; S362-E366 PolarHBondContact N-OE2 3.49Å; S362-E366 PolarHBondContact OG-OE2 3Å
363	Q	96.1	Very high	96.6	Very high	115 Å²	115	37.9 Å²	37.9	54%	0.537	21%	0.207	S	C	.	.	S	Bend	trans	-145.7	160.6	-179.4	61.6	179.7	21	0	0	111.7	G361 A365 E366 A367	G361-Q363 VanDerWaalsContact C-N 3.34Å; Q363-A365 VanDerWaalsContact C-N 3.28Å; Q363-A365 HydrophobicContact CG-CB 4.44Å; Q363-A365 PolarHBondContact O-N 3.19Å; Q363-E366 HydrophobicContact CG-CB 3.93Å; Q363-E366 WeakPolarHBondContact O-CB 3.35Å; Q363-E366 PolarHBondContact O-N 2.95Å; Q363-E366 VanDerWaalsContact O-N 3.1Å; Q363-A367 PolarHBondContact O-N 2.9Å; Q363-A367 VanDerWaalsContact O-N 3.1Å
364	Q	96.8	Very high	96.4	Very high	93 Å²	93	34 Å²	34	44%	0.435	19%	0.193	S	C	.	.	H	α-helix	trans	-57.2	-39.3	-178.6	-174.9	-179.4	0.5	0	0	112.6	R167 E366 A367 Q368	R167-Q364 HydrophobicContact CB-CG 4.12Å; Q364-E366 PolarHBondContact O-N 3.46Å; Q364-A367 PolarHBondContact O-N 2.68Å; Q364-Q368 WeakPolarHBondContact O-CG 3.28Å; Q364-Q368 PolarHBondContact O-N 3.25Å
365	A	96.5	Very high	96.3	Very high	57 Å²	57	37.9 Å²	37.9	47%	0.471	21%	0.209	S	C	.	.	H	α-helix	trans	-62.5	-41	178.1	0	0	0	0	0	112.2	Q363 Q368 C369	Q363-A365 VanDerWaalsContact C-N 3.28Å; Q363-A365 HydrophobicContact CG-CB 4.44Å; Q363-A365 PolarHBondContact O-N 3.19Å; A365-Q368 PolarHBondContact O-N 2.87Å; A365-C369 PolarHBondContact O-N 3.23Å; A365-C369 PolarHBondContact O-SG 3.41Å; A365-C369 VanDerWaalsContact O-SG 3.38Å
366	E	94.7	Very high	95.9	Very high	63 Å²	63	40.9 Å²	40.9	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-65.4	-43.6	176.4	-172.7	-172.7	176.1	0	0	110.9	Q336 S362 Q363 Q364 Q368 C369 I370	Q336-E366 PolarHBondContact NE2-OE1 3.31Å; Q336-E366 PolarHBondContact NE2-OE2 3.37Å; S362-E366 VanDerWaalsContact CB-OE2 3.27Å; S362-E366 WeakPolarHBondContact CB-OE2 3.25Å; S362-E366 PolarHBondContact N-OE2 3.49Å; S362-E366 PolarHBondContact OG-OE2 3Å; Q363-E366 HydrophobicContact CG-CB 3.93Å; Q363-E366 WeakPolarHBondContact O-CB 3.35Å; Q363-E366 PolarHBondContact O-N 2.95Å; Q363-E366 VanDerWaalsContact O-N 3.1Å; Q364-E366 PolarHBondContact O-N 3.46Å; E366-Q368 VanDerWaalsContact C-N 3.28Å; E366-Q368 PolarHBondContact O-N 3.4Å; E366-C369 WeakPolarHBondContact O-CB 3.33Å; E366-C369 PolarHBondContact O-N 3.13Å; E366-C369 VanDerWaalsContact O-N 3.11Å; E366-I370 HydrophobicContact CG-CD1 4.13Å; E366-I370 WeakPolarHBondContact O-CG1 3.13Å; E366-I370 PolarHBondContact O-N 2.75Å
367	A	96.9	Very high	95.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.4	-39.9	175.4	0	0	0	0	0	112	A170 Q363 Q364 I370 L371	A170-A367 WeakPolarHBondContact CB-O 3.5Å; Q363-A367 PolarHBondContact O-N 2.9Å; Q363-A367 VanDerWaalsContact O-N 3.1Å; Q364-A367 PolarHBondContact O-N 2.68Å; A367-I370 PolarHBondContact O-N 3.08Å; A367-L371 WeakPolarHBondContact O-CB 3.15Å; A367-L371 PolarHBondContact O-N 2.84Å
368	Q	96.5	Very high	95.3	Very high	98 Å²	98	42.2 Å²	42.2	46%	0.458	23%	0.232	S	C	.	.	H	α-helix	trans	-67.1	-38.5	174.7	-66.5	-54.5	-46.1	0	0	112.8	Q364 A365 E366 L371 S372	Q364-Q368 WeakPolarHBondContact O-CG 3.28Å; Q364-Q368 PolarHBondContact O-N 3.25Å; A365-Q368 PolarHBondContact O-N 2.87Å; E366-Q368 VanDerWaalsContact C-N 3.28Å; E366-Q368 PolarHBondContact O-N 3.4Å; Q368-L371 PolarHBondContact O-N 2.9Å; Q368-S372 PolarHBondContact O-N 3.18Å
369	C	94.3	Very high	95	Very high	81 Å²	81	49 Å²	49	55%	0.547	26%	0.257	S	S	.	.	H	α-helix	trans	-62.3	-44	172.8	-70.6	0	0	0	0	111.9	A365 E366 S372 Q373	A365-C369 PolarHBondContact O-N 3.23Å; A365-C369 PolarHBondContact O-SG 3.41Å; A365-C369 VanDerWaalsContact O-SG 3.38Å; E366-C369 WeakPolarHBondContact O-CB 3.33Å; E366-C369 PolarHBondContact O-N 3.13Å; E366-C369 VanDerWaalsContact O-N 3.11Å; C369-S372 PolarHBondContact O-N 2.91Å; C369-S372 PolarHBondContact O-OG 3.25Å; C369-Q373 WeakPolarHBondContact O-CG 3.25Å; C369-Q373 PolarHBondContact O-N 3.32Å; C369-Q373 VanDerWaalsContact O-N 3.15Å
370	I	95	Very high	94.7	Very high	17 Å²	17	53.8 Å²	53.8	9%	0.087	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-47.9	175.6	-65	164.5	0	0	0	109.9	A170 F187 F359 E366 A367 S372 Q373 L374	A170-I370 HydrophobicContact CB-CB 3.96Å; A170-I370 HydrophobicContact CB-CG2 3.77Å; F187-I370 HydrophobicContact CE2-CB 4.49Å; F187-I370 HydrophobicContact CE2-CG2 3.89Å; F187-I370 HydrophobicContact CZ-CB 4.39Å; F187-I370 HydrophobicContact CZ-CG1 4.05Å; F187-I370 HydrophobicContact CZ-CG2 3.92Å; F359-I370 HydrophobicContact CB-CD1 4.28Å; F359-I370 HydrophobicContact CB-CG2 3.74Å; F359-I370 HydrophobicContact CD2-CG2 4.21Å; F359-I370 HydrophobicContact CG-CG2 3.98Å; E366-I370 HydrophobicContact CG-CD1 4.13Å; E366-I370 WeakPolarHBondContact O-CG1 3.13Å; E366-I370 PolarHBondContact O-N 2.75Å; A367-I370 PolarHBondContact O-N 3.08Å; I370-S372 VanDerWaalsContact C-N 3.3Å; I370-S372 PolarHBondContact O-N 2.67Å; I370-Q373 PolarHBondContact O-N 3.3Å; I370-L374 HydrophobicContact CG2-CD1 3.92Å; I370-L374 HydrophobicContact CG2-CG 4.19Å; I370-L374 WeakPolarHBondContact O-CG 3.32Å; I370-L374 PolarHBondContact O-N 2.95Å
371	L	96.4	Very high	94.3	Very high	27 Å²	27	56.8 Å²	56.8	14%	0.141	30%	0.304	C	S	.	.	H	α-helix	trans	-58.8	-39.2	179.2	-177.8	60.9	0	0	0	112.5	A143 A170 V172 A367 Q368 L374 K375	A143-L371 HydrophobicContact CB-CD1 4.33Å; A170-L371 HydrophobicContact CB-CB 4.05Å; V172-L371 HydrophobicContact CG1-CD1 3.5Å; V172-L371 VanDerWaalsContact CG1-CD1 3.5Å; A367-L371 WeakPolarHBondContact O-CB 3.15Å; A367-L371 PolarHBondContact O-N 2.84Å; Q368-L371 PolarHBondContact O-N 2.9Å; L371-L374 PolarHBondContact O-N 3.15Å; L371-K375 WeakPolarHBondContact O-CG 3.41Å; L371-K375 PolarHBondContact O-N 2.9Å; L371-K375 VanDerWaalsContact O-N 3.1Å
372	S	94.3	Very high	94.3	Very high	53 Å²	53	60.1 Å²	60.1	37%	0.371	32%	0.32	S	S	.	.	H	α-helix	trans	-66.2	-43.9	177.9	78.2	0	0	0	0	111.8	Q368 C369 I370 K375 I376	Q368-S372 PolarHBondContact O-N 3.18Å; C369-S372 PolarHBondContact O-N 2.91Å; C369-S372 PolarHBondContact O-OG 3.25Å; I370-S372 VanDerWaalsContact C-N 3.3Å; I370-S372 PolarHBondContact O-N 2.67Å; S372-K375 WeakPolarHBondContact O-CB 3.32Å; S372-K375 PolarHBondContact O-N 2.8Å; S372-I376 WeakPolarHBondContact O-CG1 3.22Å; S372-I376 PolarHBondContact O-N 3.43Å; S372-I376 VanDerWaalsContact O-N 3.13Å
373	Q	92.7	Very high	94.3	Very high	20 Å²	20	58.3 Å²	58.3	9%	0.093	31%	0.308	C	S	.	.	H	α-helix	trans	-67.9	-36.7	177.2	-63.3	-53.6	-57.9	0	0	111.9	F187 R194 F205 C369 I370 K375 I376 L377	F187-Q373 HydrophobicContact CE2-CB 4.06Å; R194-Q373 PolarHBondContact O-NE2 3.26Å; R194-Q373 VanDerWaalsContact O-NE2 3.17Å; F205-Q373 HydrophobicContact CE1-CG 4.41Å; F205-Q373 HydrophobicContact CE2-CB 3.78Å; F205-Q373 HydrophobicContact CE2-CG 4.04Å; F205-Q373 HydrophobicContact CZ-CB 3.99Å; F205-Q373 HydrophobicContact CZ-CG 3.76Å; F205-Q373 VanDerWaalsContact CZ-OE1 3.29Å; C369-Q373 WeakPolarHBondContact O-CG 3.25Å; C369-Q373 PolarHBondContact O-N 3.32Å; C369-Q373 VanDerWaalsContact O-N 3.15Å; I370-Q373 PolarHBondContact O-N 3.3Å; Q373-K375 VanDerWaalsContact C-N 3.33Å; Q373-K375 PolarHBondContact O-N 2.88Å; Q373-I376 PolarHBondContact O-N 3.14Å; Q373-L377 WeakPolarHBondContact O-CG 3.25Å; Q373-L377 PolarHBondContact O-N 2.96Å
374	L	94.4	Very high	94.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.9	-42.5	172.8	-71.4	175.1	0	0	0	111.5	V172 L183 F187 L357 F359 I370 L371 I376 L377 I378	V172-L374 HydrophobicContact CG1-CB 4.2Å; V172-L374 HydrophobicContact CG1-CD1 4.15Å; V172-L374 HydrophobicContact CG2-CD1 4.19Å; L183-L374 HydrophobicContact CD1-CD2 4.32Å; L183-L374 HydrophobicContact CD2-CD2 4.21Å; L183-L374 HydrophobicContact CG-CD2 4.01Å; F187-L374 HydrophobicContact CB-CD2 4.3Å; F187-L374 HydrophobicContact CD2-CD2 3.83Å; F187-L374 HydrophobicContact CD2-CG 4.28Å; F187-L374 HydrophobicContact CG-CD2 4.31Å; L357-L374 HydrophobicContact CD2-CD2 4.04Å; F359-L374 HydrophobicContact CD2-CD1 4.16Å; F359-L374 HydrophobicContact CD2-CD2 4.48Å; F359-L374 HydrophobicContact CE2-CD2 4.21Å; I370-L374 HydrophobicContact CG2-CD1 3.92Å; I370-L374 HydrophobicContact CG2-CG 4.19Å; I370-L374 WeakPolarHBondContact O-CG 3.32Å; I370-L374 PolarHBondContact O-N 2.95Å; L371-L374 PolarHBondContact O-N 3.15Å; L374-I376 VanDerWaalsContact C-N 3.33Å; L374-I376 PolarHBondContact O-N 2.95Å; L374-L377 PolarHBondContact O-N 2.7Å; L374-I378 WeakPolarHBondContact O-CD1 3.42Å; L374-I378 WeakPolarHBondContact O-CG1 3.42Å; L374-I378 PolarHBondContact O-N 3.18Å
375	K	94.7	Very high	94.3	Very high	83 Å²	83	50 Å²	50	36%	0.361	27%	0.27	S	S	.	.	H	α-helix	trans	-61	-41.8	175	-71.1	171.3	-179.3	176.7	0	112	I142 A143 L371 S372 Q373 L377 I378 R379	I142-K375 HydrophobicContact CB-CB 4.36Å; I142-K375 HydrophobicContact CB-CG 4.2Å; I142-K375 HydrophobicContact CG2-CB 3.79Å; I142-K375 HydrophobicContact CG2-CG 3.99Å; I142-K375 WeakPolarHBondContact CG2-O 3.44Å; A143-K375 HydrophobicContact CB-CG 4.44Å; L371-K375 WeakPolarHBondContact O-CG 3.41Å; L371-K375 PolarHBondContact O-N 2.9Å; L371-K375 VanDerWaalsContact O-N 3.1Å; S372-K375 WeakPolarHBondContact O-CB 3.32Å; S372-K375 PolarHBondContact O-N 2.8Å; Q373-K375 VanDerWaalsContact C-N 3.33Å; Q373-K375 PolarHBondContact O-N 2.88Å; K375-L377 VanDerWaalsContact C-N 3.29Å; K375-L377 PolarHBondContact O-N 3.27Å; K375-I378 PolarHBondContact O-N 3.36Å; K375-R379 WeakPolarHBondContact O-CB 3.24Å; K375-R379 PolarHBondContact O-N 2.89Å
376	I	91.1	Very high	94.3	Very high	63 Å²	63	50.3 Å²	50.3	32%	0.323	27%	0.267	S	S	.	.	H	α-helix	trans	-61.8	-37.8	176.2	-67.1	170.9	0	0	0	111.3	R194 S372 Q373 L374 P380	R194-I376 HydrophobicContact CB-CD1 4.04Å; R194-I376 WeakPolarHBondContact O-CD1 3.43Å; S372-I376 WeakPolarHBondContact O-CG1 3.22Å; S372-I376 PolarHBondContact O-N 3.43Å; S372-I376 VanDerWaalsContact O-N 3.13Å; Q373-I376 PolarHBondContact O-N 3.14Å; L374-I376 VanDerWaalsContact C-N 3.33Å; L374-I376 PolarHBondContact O-N 2.95Å; I376-P380 WeakPolarHBondContact O-CD 3.4Å
377	L	90.8	Very high	94.3	Very high	23 Å²	23	48.8 Å²	48.8	12%	0.12	26%	0.261	C	S	.	.	H	α-helix	trans	-73.5	-37.9	176.7	-67.6	171.5	0	0	0	112.7	L183 A186 F187 Q373 L374 K375 P380 M381	L183-L377 HydrophobicContact CD1-CB 3.6Å; L183-L377 HydrophobicContact CD1-CD1 4.3Å; A186-L377 HydrophobicContact CB-CD1 4.27Å; A186-L377 HydrophobicContact CB-CD2 4.34Å; F187-L377 HydrophobicContact CB-CD1 3.95Å; F187-L377 HydrophobicContact CD2-CD1 4.17Å; Q373-L377 WeakPolarHBondContact O-CG 3.25Å; Q373-L377 PolarHBondContact O-N 2.96Å; L374-L377 PolarHBondContact O-N 2.7Å; K375-L377 VanDerWaalsContact C-N 3.29Å; K375-L377 PolarHBondContact O-N 3.27Å; L377-P380 WeakPolarHBondContact O-CD 3.38Å; L377-M381 VanDerWaalsContact O-CG 3.22Å; L377-M381 WeakPolarHBondContact O-CG 3.32Å
378	I	93.4	Very high	94	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-67.4	-42.8	179.6	-69.8	162.1	0	0	0	111.4	I142 V172 L183 L374 K375 M381 I382 S383	I142-I378 HydrophobicContact CG2-CB 3.84Å; I142-I378 HydrophobicContact CG2-CG2 3.77Å; I142-I378 WeakPolarHBondContact O-CG2 3.45Å; V172-I378 HydrophobicContact CB-CD1 4Å; V172-I378 HydrophobicContact CG1-CD1 4.15Å; V172-I378 HydrophobicContact CG2-CD1 3.99Å; L183-I378 HydrophobicContact CD1-CG1 3.95Å; L183-I378 HydrophobicContact CD2-CD1 3.77Å; L183-I378 HydrophobicContact CD2-CG1 3.55Å; L183-I378 HydrophobicContact CG-CG1 4.43Å; L374-I378 WeakPolarHBondContact O-CD1 3.42Å; L374-I378 WeakPolarHBondContact O-CG1 3.42Å; L374-I378 PolarHBondContact O-N 3.18Å; K375-I378 PolarHBondContact O-N 3.36Å; I378-M381 PolarHBondContact O-N 2.97Å; I378-I382 HydrophobicContact CG2-CD1 4.21Å; I378-I382 HydrophobicContact CG2-CG1 3.79Å; I378-I382 PolarHBondContact O-N 2.79Å; I378-S383 PolarHBondContact O-N 3.35Å
379	R	93.9	Very high	93.9	Very high	141 Å²	141	47.7 Å²	47.7	53%	0.532	26%	0.256	S	S	.	.	H	α-helix	trans	-53.4	-47.9	-172.7	-174.6	64.9	175	111.3	-2.1	114.2	K375 S383	K375-R379 WeakPolarHBondContact O-CB 3.24Å; K375-R379 PolarHBondContact O-N 2.89Å; R379-S383 PolarHBondContact NH1-OG 3.43Å; R379-S383 VanDerWaalsContact O-CA 3.24Å; R379-S383 WeakPolarHBondContact O-CA 3.43Å; R379-S383 PolarHBondContact O-N 3.41Å; R379-S383 VanDerWaalsContact O-N 3.1Å
380	P	91.5	Very high	94	Very high	108 Å²	108	43.9 Å²	43.9	70%	0.701	23%	0.23	S	C	*	.	H	α-helix	trans	-81.6	-11.4	175.9	33.6	-37.7	0	0	0	113.8	I376 L377	I376-P380 WeakPolarHBondContact O-CD 3.4Å; L377-P380 WeakPolarHBondContact O-CD 3.38Å
381	M	90.4	Very high	93.9	Very high	73 Å²	73	45.3 Å²	45.3	36%	0.36	23%	0.234	S	C	.	.	H	α-helix	trans	-85.5	-48.9	179.6	-77.2	179.9	54.3	0	0	112.5	R182 L183 L377 I378	R182-M381 HydrophobicContact CG-CE 3.88Å; L183-M381 HydrophobicContact CD1-SD 4.24Å; L377-M381 VanDerWaalsContact O-CG 3.22Å; L377-M381 WeakPolarHBondContact O-CG 3.32Å; I378-M381 PolarHBondContact O-N 2.97Å
382	I	94.6	Very high	93.7	Very high	71 Å²	71	44 Å²	44	36%	0.364	23%	0.228	S	C	.	.	H	α-helix	trans	-143	5.6	-174.7	61.8	172.9	0	0	0	113	V175 I378 N384 P385	V175-I382 HydrophobicContact CG2-CD1 3.81Å; V175-I382 HydrophobicContact CG2-CG2 4.4Å; I378-I382 HydrophobicContact CG2-CD1 4.21Å; I378-I382 HydrophobicContact CG2-CG1 3.79Å; I378-I382 PolarHBondContact O-N 2.79Å; I382-N384 PolarHBondContact O-N 2.88Å; I382-N384 VanDerWaalsContact O-O 3.1Å; I382-P385 HydrophobicContact CD1-CB 4.2Å
383	S	95.7	Very high	93.8	Very high	34 Å²	34	41.5 Å²	41.5	24%	0.238	21%	0.21	C	C	.	.	S	Bend	trans	64	-70.6	-169.1	-177.4	0	0	0	0	113.9	I378 R379	I378-S383 PolarHBondContact O-N 3.35Å; R379-S383 PolarHBondContact NH1-OG 3.43Å; R379-S383 VanDerWaalsContact O-CA 3.24Å; R379-S383 WeakPolarHBondContact O-CA 3.43Å; R379-S383 PolarHBondContact O-N 3.41Å; R379-S383 VanDerWaalsContact O-N 3.1Å
384	N	95.9	Very high	93.9	Very high	32 Å²	32	42.8 Å²	42.8	17%	0.171	22%	0.216	C	C	.	.	S	Bend	trans	-152.4	155.1	176.5	52.9	77.1	0	0	0	109.1	Y139 A140 I382	Y139-N384 WeakPolarHBondContact CD1-ND2 3.19Å; A140-N384 HydrophobicContact CB-CB 4.49Å; A140-N384 VanDerWaalsContact O-CB 3.31Å; A140-N384 WeakPolarHBondContact O-CB 3.47Å; I382-N384 PolarHBondContact O-N 2.88Å; I382-N384 VanDerWaalsContact O-O 3.1Å
385	P	97.2	Very high	93.8	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	22%	0.224	C	C	.	.			trans	-83	159	-172.4	33.7	-35.5	0	0	0	113.3	G144 Q173 I382	G144-P385 VanDerWaalsContact CA-CG 3.48Å; Q173-P385 HydrophobicContact CB-CB 4.33Å; Q173-P385 HydrophobicContact CB-CG 3.81Å; Q173-P385 HydrophobicContact CG-CB 3.85Å; Q173-P385 HydrophobicContact CG-CG 3.79Å; I382-P385 HydrophobicContact CD1-CB 4.2Å
386	P	96.4	Very high	93.8	Very high	63 Å²	63	40.5 Å²	40.5	41%	0.409	21%	0.207	S	C	.	.			trans	-67.9	138.5	-176.5	27.5	-35.6	0	0	0	113.2	Q173	Q173-P386 PolarHBondContact NE2-O 3.48Å
387	I	93.3	Very high	94	Very high	32 Å²	32	38.2 Å²	38.2	16%	0.164	20%	0.196	C	C	.	.	H	α-helix	trans	-82.9	-30.7	-170.8	58.7	-178.4	0	0	0	115.1	K137 A140 I145 A390 R391	K137-I387 HydrophobicContact CB-CD1 4.49Å; A140-I387 HydrophobicContact CB-CG2 3.85Å; I145-I387 HydrophobicContact CD1-CB 4.15Å; I145-I387 HydrophobicContact CD1-CG2 4.24Å; I387-A390 PolarHBondContact O-N 2.6Å; I387-R391 WeakPolarHBondContact O-CG 3.33Å; I387-R391 PolarHBondContact O-N 2.91Å
388	H	92.3	Very high	94.1	Very high	73 Å²	73	40.4 Å²	40.4	34%	0.338	21%	0.21	S	C	.	.	H	α-helix	trans	-66.8	-56	-165.4	-173.6	65.8	0	0	0	112.8	E127 E352 A390 R391 I392	E127-H388 IonicContact OE1-CE1 3.52Å; E127-H388 PolarHBondContact OE1-CE1 3.16Å; E127-H388 IonicContact OE1-NE2 3.97Å; E127-H388 PolarHBondContact OE1-NE2 2.84Å; E352-H388 IonicContact OE2-CD2 3.1Å; E352-H388 PolarHBondContact OE2-CD2 2.8Å; H388-A390 PolarHBondContact O-N 3.1Å; H388-R391 PolarHBondContact O-N 2.98Å; H388-R391 VanDerWaalsContact O-N 3.14Å; H388-I392 PolarHBondContact O-N 3.47Å
389	G	94.4	Very high	94.1	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-57.6	-37.3	176.1	0	0	0	0	0	113.1	I392 T393	G389-I392 PolarHBondContact O-N 3.49Å; G389-T393 WeakPolarHBondContact O-CB 3.46Å; G389-T393 PolarHBondContact O-N 3.28Å; G389-T393 PolarHBondContact O-OG1 3.27Å; G389-T393 VanDerWaalsContact O-OG1 3.14Å
390	A	95.4	Very high	94.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.6	-40.2	177.2	0	0	0	0	0	112.9	I145 F148 V354 I387 H388 H394	I145-A390 HydrophobicContact CD1-CB 3.94Å; F148-A390 HydrophobicContact CB-CB 4.08Å; F148-A390 HydrophobicContact CD1-CB 4.05Å; F148-A390 HydrophobicContact CD2-CB 3.98Å; F148-A390 WeakPolarHBondContact CD2-O 3.38Å; F148-A390 HydrophobicContact CE2-CB 4.47Å; F148-A390 HydrophobicContact CG-CB 3.74Å; V354-A390 HydrophobicContact CG2-CB 4.49Å; I387-A390 PolarHBondContact O-N 2.6Å; H388-A390 PolarHBondContact O-N 3.1Å; A390-H394 WeakPolarHBondContact O-CB 3.5Å; A390-H394 PolarHBondContact O-N 3.04Å
391	R	92.3	Very high	94.3	Very high	48 Å²	48	44.7 Å²	44.7	18%	0.181	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-44.5	174.3	-72.7	175.9	178.4	172.4	1.4	111.4	D136 I145 I387 H388 H394 L395	D136-R391 VanDerWaalsContact O-CZ 3.3Å; D136-R391 PolarHBondContact O-NH1 3.29Å; D136-R391 PolarHBondContact O-NH2 3.25Å; D136-R391 IonicContact OD1-NH2 3.96Å; I145-R391 HydrophobicContact CD1-CG 3.74Å; I387-R391 WeakPolarHBondContact O-CG 3.33Å; I387-R391 PolarHBondContact O-N 2.91Å; H388-R391 PolarHBondContact O-N 2.98Å; H388-R391 VanDerWaalsContact O-N 3.14Å; R391-H394 PolarHBondContact O-N 3.14Å; R391-L395 WeakPolarHBondContact O-CG 3.47Å; R391-L395 PolarHBondContact O-N 3.12Å
392	I	93	Very high	94.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-52.8	176.4	-67.5	172.5	0	0	0	110.5	V123 L349 H388 G389 H394 L395 I396	V123-I392 HydrophobicContact CB-CG2 4.33Å; V123-I392 HydrophobicContact CG1-CB 4.24Å; V123-I392 HydrophobicContact CG1-CG1 4.02Å; V123-I392 HydrophobicContact CG1-CG2 4Å; L349-I392 HydrophobicContact CD1-CB 4.49Å; L349-I392 HydrophobicContact CD1-CG2 3.99Å; L349-I392 HydrophobicContact CD2-CG2 4.37Å; H388-I392 PolarHBondContact O-N 3.47Å; G389-I392 PolarHBondContact O-N 3.49Å; I392-H394 VanDerWaalsContact C-N 3.33Å; I392-H394 PolarHBondContact O-N 3.35Å; I392-L395 PolarHBondContact O-N 3.11Å; I392-I396 HydrophobicContact CG2-CD1 3.89Å; I392-I396 WeakPolarHBondContact O-CG1 3.36Å; I392-I396 PolarHBondContact O-N 3.38Å
393	T	95.6	Very high	94.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-43.9	179.7	-65	0	0	0	0	111.5	F148 F343 M347 L349 G389 L395 I396 L397	F148-T393 HydrophobicContact CD2-CG2 3.95Å; F148-T393 HydrophobicContact CE2-CG2 3.55Å; F343-T393 HydrophobicContact CD1-CG2 3.9Å; F343-T393 HydrophobicContact CD2-CG2 4.08Å; F343-T393 HydrophobicContact CE1-CG2 3.99Å; F343-T393 HydrophobicContact CE2-CG2 4.17Å; F343-T393 HydrophobicContact CG-CG2 3.94Å; F343-T393 HydrophobicContact CZ-CG2 4.13Å; M347-T393 HydrophobicContact CE-CG2 3.79Å; M347-T393 HydrophobicContact SD-CG2 3.61Å; M347-T393 PolarHBondContact SD-OG1 2.98Å; M347-T393 VanDerWaalsContact SD-OG1 3.38Å; L349-T393 WeakPolarHBondContact CD1-OG1 3.13Å; G389-T393 WeakPolarHBondContact O-CB 3.46Å; G389-T393 PolarHBondContact O-N 3.28Å; G389-T393 PolarHBondContact O-OG1 3.27Å; G389-T393 VanDerWaalsContact O-OG1 3.14Å; T393-L395 PolarHBondContact O-N 2.8Å; T393-I396 PolarHBondContact O-N 2.9Å; T393-L397 HydrophobicContact CG2-CD1 3.73Å; T393-L397 HydrophobicContact CG2-CG 4.2Å; T393-L397 WeakPolarHBondContact O-CB 3.43Å; T393-L397 VanDerWaalsContact O-CG 3.27Å; T393-L397 WeakPolarHBondContact O-CG 3.33Å; T393-L397 PolarHBondContact O-N 3.01Å
394	H	94.8	Very high	94.5	Very high	47 Å²	47	47.9 Å²	47.9	22%	0.218	25%	0.246	C	C	.	.	H	α-helix	trans	-58.6	-46.3	177.2	174.7	62.7	0	0	0	112	Q147 F148 A390 R391 I392 L397 T398	Q147-H394 VanDerWaalsContact CB-CE1 3.47Å; Q147-H394 WeakPolarHBondContact CB-CE1 3.28Å; Q147-H394 PolarHBondContact O-ND1 3.44Å; Q147-H394 VanDerWaalsContact O-ND1 3.08Å; F148-H394 HydrophobicContact CB-CB 4.24Å; A390-H394 WeakPolarHBondContact O-CB 3.5Å; A390-H394 PolarHBondContact O-N 3.04Å; R391-H394 PolarHBondContact O-N 3.14Å; I392-H394 VanDerWaalsContact C-N 3.33Å; I392-H394 PolarHBondContact O-N 3.35Å; H394-L397 PolarHBondContact O-N 3.37Å; H394-T398 VanDerWaalsContact CE1-CG2 3.49Å; H394-T398 WeakPolarHBondContact CE1-CG2 3.46Å; H394-T398 WeakPolarHBondContact O-CB 3.29Å; H394-T398 WeakPolarHBondContact O-CG2 3.33Å; H394-T398 PolarHBondContact O-N 3.18Å; H394-T398 VanDerWaalsContact O-N 3.07Å; H394-T398 PolarHBondContact O-OG1 3.38Å
395	L	92.7	Very high	94.5	Very high	34 Å²	34	48.4 Å²	48.4	18%	0.178	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-46.1	177.2	-75.1	179	0	0	0	112.2	V123 L130 R391 I392 T393 L397 T398 K399 L402	V123-L395 HydrophobicContact CG1-CB 4.45Å; V123-L395 HydrophobicContact CG1-CD1 3.97Å; L130-L395 HydrophobicContact CD1-CD1 3.83Å; L130-L395 HydrophobicContact CD2-CD1 3.79Å; L130-L395 HydrophobicContact CG-CD1 3.84Å; R391-L395 WeakPolarHBondContact O-CG 3.47Å; R391-L395 PolarHBondContact O-N 3.12Å; I392-L395 PolarHBondContact O-N 3.11Å; T393-L395 PolarHBondContact O-N 2.8Å; L395-L397 VanDerWaalsContact C-N 3.28Å; L395-L397 PolarHBondContact O-N 3.22Å; L395-T398 PolarHBondContact O-N 2.74Å; L395-K399 HydrophobicContact CD2-CG 4.32Å; L395-K399 WeakPolarHBondContact O-CB 3.14Å; L395-K399 PolarHBondContact O-N 3.47Å; L395-L402 HydrophobicContact CB-CD1 4.23Å
396	I	94.9	Very high	94.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.3	-42	177.1	-68	173.3	0	0	0	111.1	V120 V123 M347 I392 T393 K403 W406	V120-I396 HydrophobicContact CG2-CD1 3.84Å; V123-I396 HydrophobicContact CG2-CD1 3.96Å; V123-I396 HydrophobicContact CG2-CG1 3.39Å; M347-I396 HydrophobicContact CE-CB 4.22Å; M347-I396 HydrophobicContact CE-CG2 3.82Å; M347-I396 HydrophobicContact SD-CD1 4.22Å; I392-I396 HydrophobicContact CG2-CD1 3.89Å; I392-I396 WeakPolarHBondContact O-CG1 3.36Å; I392-I396 PolarHBondContact O-N 3.38Å; T393-I396 PolarHBondContact O-N 2.9Å; I396-K403 WeakPolarHBondContact O-CA 3.23Å; I396-K403 VanDerWaalsContact O-CB 3.27Å; I396-K403 WeakPolarHBondContact O-CB 3.5Å; I396-K403 PolarHBondContact O-N 3.2Å; I396-W406 HydrophobicContact CG2-CB 3.55Å; I396-W406 HydrophobicContact CG2-CD2 3.9Å; I396-W406 HydrophobicContact CG2-CE3 4.14Å; I396-W406 HydrophobicContact CG2-CG 3.64Å
397	L	95.5	Very high	94.5	Very high	15 Å²	15	48.5 Å²	48.5	8%	0.079	24%	0.243	C	C	.	.	H	α-helix	trans	-76.5	-23.1	-176.1	-66.9	178.5	0	0	0	114.1	A151 L155 F343 M347 T393 H394 L395 W406	A151-L397 HydrophobicContact CB-CB 4.13Å; A151-L397 HydrophobicContact CB-CD1 3.97Å; L155-L397 HydrophobicContact CD1-CD2 4.18Å; L155-L397 HydrophobicContact CD2-CD2 4.03Å; F343-L397 HydrophobicContact CE1-CD1 4.38Å; M347-L397 HydrophobicContact CE-CD1 4.44Å; M347-L397 HydrophobicContact CE-CD2 3.64Å; M347-L397 HydrophobicContact CE-CG 3.86Å; T393-L397 HydrophobicContact CG2-CD1 3.73Å; T393-L397 HydrophobicContact CG2-CG 4.2Å; T393-L397 WeakPolarHBondContact O-CB 3.43Å; T393-L397 VanDerWaalsContact O-CG 3.27Å; T393-L397 WeakPolarHBondContact O-CG 3.33Å; T393-L397 PolarHBondContact O-N 3.01Å; H394-L397 PolarHBondContact O-N 3.37Å; L395-L397 VanDerWaalsContact C-N 3.28Å; L395-L397 PolarHBondContact O-N 3.22Å; L397-W406 HydrophobicContact CD2-CE3 4.2Å; L397-W406 HydrophobicContact CD2-CH2 3.96Å; L397-W406 HydrophobicContact CD2-CZ3 3.58Å
398	T	93.7	Very high	94.6	Very high	69 Å²	69	51.8 Å²	51.8	42%	0.423	26%	0.258	S	S	.	.	H	α-helix	trans	-113.3	-23.2	-170.1	57.8	0	0	0	0	114.8	A151 H394 L395 P400	A151-T398 HydrophobicContact CB-CG2 4.23Å; H394-T398 VanDerWaalsContact CE1-CG2 3.49Å; H394-T398 WeakPolarHBondContact CE1-CG2 3.46Å; H394-T398 WeakPolarHBondContact O-CB 3.29Å; H394-T398 WeakPolarHBondContact O-CG2 3.33Å; H394-T398 PolarHBondContact O-N 3.18Å; H394-T398 VanDerWaalsContact O-N 3.07Å; H394-T398 PolarHBondContact O-OG1 3.38Å; L395-T398 PolarHBondContact O-N 2.74Å; T398-P400 WeakPolarHBondContact O-CD 3.35Å
399	K	93.3	Very high	94.7	Very high	119 Å²	119	48.5 Å²	48.5	52%	0.517	24%	0.243	S	C	.	.	S	Bend	trans	-86.1	118	172.8	-69.7	-79.5	-175.1	170.5	0	109.3	L395 D401 L402 K403	L395-K399 HydrophobicContact CD2-CG 4.32Å; L395-K399 WeakPolarHBondContact O-CB 3.14Å; L395-K399 PolarHBondContact O-N 3.47Å; K399-D401 PolarHBondContact O-N 3.1Å; K399-L402 HydrophobicContact CB-CB 4.09Å; K399-L402 HydrophobicContact CB-CD1 3.89Å; K399-L402 HydrophobicContact CB-CG 4.03Å; K399-L402 HydrophobicContact CG-CD1 4.2Å; K399-L402 PolarHBondContact O-N 3.45Å; K399-L402 VanDerWaalsContact O-N 3.16Å; K399-K403 PolarHBondContact O-N 3.42Å
400	P	94.7	Very high	94.7	Very high	99 Å²	99	48.5 Å²	48.5	64%	0.643	24%	0.243	S	C	*	.	H	α-helix	trans	-52.1	-46.7	-175	-30.5	36.9	0	0	0	114.4	T398 L402 K403 Q404	T398-P400 WeakPolarHBondContact O-CD 3.35Å; P400-L402 PolarHBondContact O-N 2.76Å; P400-K403 PolarHBondContact O-N 2.74Å; P400-Q404 WeakPolarHBondContact O-CB 3.35Å; P400-Q404 PolarHBondContact O-N 2.84Å
401	D	94	Very high	94.6	Very high	127 Å²	127	53.8 Å²	53.8	68%	0.679	27%	0.265	S	S	*	.	H	α-helix	trans	-65.3	-39.4	-178.1	-56.6	-19	0	0	0	112.5	K399 Q405	K399-D401 PolarHBondContact O-N 3.1Å; D401-Q405 PolarHBondContact O-N 3.42Å
402	L	94.2	Very high	94.7	Very high	22 Å²	22	54.7 Å²	54.7	12%	0.115	28%	0.276	C	S	.	.	H	α-helix	trans	-70	-40.3	176.9	-65.1	179.7	0	0	0	111.1	K122 V123 L395 K399 P400 Q405 W406	K122-L402 HydrophobicContact CB-CD2 3.7Å; K122-L402 HydrophobicContact CD-CD2 4.48Å; V123-L402 HydrophobicContact CG2-CD1 3.68Å; V123-L402 HydrophobicContact CG2-CD2 4.15Å; V123-L402 HydrophobicContact CG2-CG 4.44Å; L395-L402 HydrophobicContact CB-CD1 4.23Å; K399-L402 HydrophobicContact CB-CB 4.09Å; K399-L402 HydrophobicContact CB-CD1 3.89Å; K399-L402 HydrophobicContact CB-CG 4.03Å; K399-L402 HydrophobicContact CG-CD1 4.2Å; K399-L402 PolarHBondContact O-N 3.45Å; K399-L402 VanDerWaalsContact O-N 3.16Å; P400-L402 PolarHBondContact O-N 2.76Å; L402-Q405 PolarHBondContact O-N 2.94Å; L402-W406 WeakPolarHBondContact O-CB 3.47Å; L402-W406 PolarHBondContact O-N 3.27Å
403	K	95.2	Very high	94.7	Very high	85 Å²	85	54.8 Å²	54.8	37%	0.37	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-45.8	175.4	-169.4	176.6	-177.4	175.7	0	110.7	I396 K399 P400 W406 L407	I396-K403 WeakPolarHBondContact O-CA 3.23Å; I396-K403 VanDerWaalsContact O-CB 3.27Å; I396-K403 WeakPolarHBondContact O-CB 3.5Å; I396-K403 PolarHBondContact O-N 3.2Å; K399-K403 PolarHBondContact O-N 3.42Å; P400-K403 PolarHBondContact O-N 2.74Å; K403-W406 HydrophobicContact CG-CE3 4.47Å; K403-W406 PolarHBondContact O-N 2.92Å; K403-L407 VanDerWaalsContact O-CG 3.31Å; K403-L407 WeakPolarHBondContact O-CG 3.07Å; K403-L407 PolarHBondContact O-N 3.38Å
404	Q	96.3	Very high	94.6	Very high	138 Å²	138	54.9 Å²	54.9	65%	0.645	28%	0.278	S	S	*	.	H	α-helix	trans	-62.7	-43.5	178.1	-169.9	-179.3	24.2	0	0	111.6	P400 W406 L407 Q408	P400-Q404 WeakPolarHBondContact O-CB 3.35Å; P400-Q404 PolarHBondContact O-N 2.84Å; Q404-W406 VanDerWaalsContact C-N 3.33Å; Q404-W406 PolarHBondContact O-N 2.81Å; Q404-L407 PolarHBondContact O-N 3.39Å; Q404-Q408 PolarHBondContact O-N 2.98Å; Q404-Q408 VanDerWaalsContact O-N 3.11Å
405	Q	96.1	Very high	94.5	Very high	43 Å²	43	57.4 Å²	57.4	20%	0.201	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-45.2	172.8	-178.7	65.1	60.5	0	0	111.4	P118 K122 D401 L402 L407 Q408 D409	P118-Q405 HydrophobicContact CB-CG 4.21Å; K122-Q405 HydrophobicContact CD-CB 4.44Å; K122-Q405 HydrophobicContact CD-CG 4.1Å; D401-Q405 PolarHBondContact O-N 3.42Å; L402-Q405 PolarHBondContact O-N 2.94Å; Q405-L407 VanDerWaalsContact C-N 3.35Å; Q405-L407 PolarHBondContact O-N 3.37Å; Q405-Q408 CarbonylContact O-C 3.55Å; Q405-Q408 WeakPolarHBondContact O-CA 3.29Å; Q405-Q408 WeakPolarHBondContact O-CB 3.46Å; Q405-Q408 PolarHBondContact O-N 2.84Å; Q405-Q408 VanDerWaalsContact O-N 3.09Å; Q405-D409 PolarHBondContact NE2-OD1 2.96Å; Q405-D409 PolarHBondContact O-N 2.77Å
406	W	96.3	Very high	94.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-40.4	-179.5	172	56.4	0	0	0	112.3	L155 L320 N346 M347 I396 L397 L402 K403 Q404 Q408 D409 L410	L155-W406 HydrophobicContact CD1-CH2 4.09Å; L155-W406 HydrophobicContact CD1-CZ3 4.18Å; L155-W406 HydrophobicContact CD2-CH2 3.99Å; L320-W406 HydrophobicContact CD1-CH2 3.99Å; L320-W406 HydrophobicContact CD1-CZ3 3.76Å; L320-W406 HydrophobicContact CD2-CH2 3.6Å; L320-W406 HydrophobicContact CD2-CZ2 4.2Å; L320-W406 HydrophobicContact CD2-CZ3 4.23Å; L320-W406 HydrophobicContact CG-CH2 4.44Å; N346-W406 HydrophobicContact CB-CZ2 4.28Å; N346-W406 PolarHBondContact O-NE1 3.1Å; M347-W406 HydrophobicContact CE-CD2 4.17Å; M347-W406 HydrophobicContact CE-CE3 4.44Å; M347-W406 HydrophobicContact CE-CH2 4.11Å; M347-W406 HydrophobicContact CE-CZ2 3.81Å; M347-W406 HydrophobicContact CE-CZ3 4.41Å; M347-W406 HydrophobicContact CG-CZ2 4.25Å; I396-W406 HydrophobicContact CG2-CB 3.55Å; I396-W406 HydrophobicContact CG2-CD2 3.9Å; I396-W406 HydrophobicContact CG2-CE3 4.14Å; I396-W406 HydrophobicContact CG2-CG 3.64Å; L397-W406 HydrophobicContact CD2-CE3 4.2Å; L397-W406 HydrophobicContact CD2-CH2 3.96Å; L397-W406 HydrophobicContact CD2-CZ3 3.58Å; L402-W406 WeakPolarHBondContact O-CB 3.47Å; L402-W406 PolarHBondContact O-N 3.27Å; K403-W406 HydrophobicContact CG-CE3 4.47Å; K403-W406 PolarHBondContact O-N 2.92Å; Q404-W406 VanDerWaalsContact C-N 3.33Å; Q404-W406 PolarHBondContact O-N 2.81Å; W406-Q408 VanDerWaalsContact C-N 3.27Å; W406-Q408 PolarHBondContact O-N 3.12Å; W406-D409 WeakPolarHBondContact O-CB 3.41Å; W406-D409 PolarHBondContact O-N 3.38Å; W406-D409 VanDerWaalsContact O-N 3.15Å; W406-L410 HydrophobicContact CD2-CD1 4.18Å; W406-L410 HydrophobicContact CH2-CD1 4.21Å; W406-L410 HydrophobicContact CZ2-CD1 3.71Å; W406-L410 HydrophobicContact CZ2-CG 4.43Å; W406-L410 WeakPolarHBondContact O-CG 3.3Å; W406-L410 PolarHBondContact O-N 3.37Å
407	L	95.8	Very high	94.5	Very high	65 Å²	65	57.9 Å²	57.9	34%	0.34	29%	0.292	S	S	.	.	H	α-helix	trans	-59.1	-39.1	172.2	-68.3	174.2	0	0	0	111.9	L320 K403 Q404 Q405 K411	L320-L407 HydrophobicContact CD1-CD2 3.38Å; L320-L407 HydrophobicContact CG-CD2 4.05Å; K403-L407 VanDerWaalsContact O-CG 3.31Å; K403-L407 WeakPolarHBondContact O-CG 3.07Å; K403-L407 PolarHBondContact O-N 3.38Å; Q404-L407 PolarHBondContact O-N 3.39Å; Q405-L407 VanDerWaalsContact C-N 3.35Å; Q405-L407 PolarHBondContact O-N 3.37Å; L407-K411 WeakPolarHBondContact O-CG 3.49Å; L407-K411 PolarHBondContact O-N 2.98Å
408	Q	95.8	Very high	94.4	Very high	101 Å²	101	60.5 Å²	60.5	47%	0.472	31%	0.305	S	S	.	.	H	α-helix	trans	-68.1	-40.4	174.6	-174.6	59	29.2	0	0	111.8	Q404 Q405 W406 L410 K411 V412	Q404-Q408 PolarHBondContact O-N 2.98Å; Q404-Q408 VanDerWaalsContact O-N 3.11Å; Q405-Q408 CarbonylContact O-C 3.55Å; Q405-Q408 WeakPolarHBondContact O-CA 3.29Å; Q405-Q408 WeakPolarHBondContact O-CB 3.46Å; Q405-Q408 PolarHBondContact O-N 2.84Å; Q405-Q408 VanDerWaalsContact O-N 3.09Å; W406-Q408 VanDerWaalsContact C-N 3.27Å; W406-Q408 PolarHBondContact O-N 3.12Å; Q408-L410 VanDerWaalsContact C-N 3.34Å; Q408-L410 PolarHBondContact O-N 2.81Å; Q408-K411 PolarHBondContact O-N 3.2Å; Q408-V412 WeakPolarHBondContact O-CG2 3.39Å; Q408-V412 PolarHBondContact O-N 2.91Å
409	D	95	Very high	94.4	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.027	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-43.9	176.9	-60.3	-18.6	0	0	0	111.1	L117 P118 S119 Q405 W406 K411 V412 M413	L117-D409 HydrophobicContact CB-CB 4.39Å; L117-D409 HydrophobicContact CD2-CB 3.82Å; L117-D409 HydrophobicContact CG-CB 4Å; P118-D409 WeakPolarHBondContact CB-OD1 3.42Å; P118-D409 WeakPolarHBondContact CD-OD1 3.21Å; P118-D409 WeakPolarHBondContact CG-OD1 3.29Å; S119-D409 WeakPolarHBondContact CB-OD2 3.44Å; S119-D409 PolarHBondContact N-OD2 2.86Å; S119-D409 PolarHBondContact OG-OD2 2.99Å; Q405-D409 PolarHBondContact NE2-OD1 2.96Å; Q405-D409 PolarHBondContact O-N 2.77Å; W406-D409 WeakPolarHBondContact O-CB 3.41Å; W406-D409 PolarHBondContact O-N 3.38Å; W406-D409 VanDerWaalsContact O-N 3.15Å; D409-K411 PolarHBondContact O-N 2.78Å; D409-V412 PolarHBondContact O-N 2.93Å; D409-M413 WeakPolarHBondContact O-CG 3.18Å; D409-M413 PolarHBondContact O-N 3.39Å
410	L	94.8	Very high	94.5	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-56.4	-48.7	174	-72.5	174	0	0	0	111.4	L320 N346 W406 Q408 V412 M413 T414	L320-L410 HydrophobicContact CD2-CD1 3.91Å; L320-L410 HydrophobicContact CG-CD1 4.4Å; N346-L410 HydrophobicContact CB-CD2 3.96Å; N346-L410 VanDerWaalsContact O-CD2 3.31Å; N346-L410 WeakPolarHBondContact O-CD2 3.27Å; W406-L410 HydrophobicContact CD2-CD1 4.18Å; W406-L410 HydrophobicContact CH2-CD1 4.21Å; W406-L410 HydrophobicContact CZ2-CD1 3.71Å; W406-L410 HydrophobicContact CZ2-CG 4.43Å; W406-L410 WeakPolarHBondContact O-CG 3.3Å; W406-L410 PolarHBondContact O-N 3.37Å; Q408-L410 VanDerWaalsContact C-N 3.34Å; Q408-L410 PolarHBondContact O-N 2.81Å; L410-V412 VanDerWaalsContact C-N 3.33Å; L410-V412 PolarHBondContact O-N 3.43Å; L410-M413 HydrophobicContact CD2-CE 3.79Å; L410-M413 PolarHBondContact O-N 3.13Å; L410-M413 VanDerWaalsContact O-N 3.13Å; L410-T414 PolarHBondContact O-N 3.07Å; L410-T414 PolarHBondContact O-OG1 3.19Å; L410-T414 VanDerWaalsContact O-OG1 3.12Å
411	K	93.4	Very high	94.5	Very high	111 Å²	111	49 Å²	49	48%	0.483	25%	0.249	S	C	.	.	H	α-helix	trans	-58.4	-42.7	177.2	-72.5	177.8	179.3	-178.3	0	112.3	L407 Q408 D409 N415	L407-K411 WeakPolarHBondContact O-CG 3.49Å; L407-K411 PolarHBondContact O-N 2.98Å; Q408-K411 PolarHBondContact O-N 3.2Å; D409-K411 PolarHBondContact O-N 2.78Å; K411-N415 VanDerWaalsContact O-CB 3.23Å; K411-N415 WeakPolarHBondContact O-CB 3.27Å; K411-N415 PolarHBondContact O-N 3.39Å; K411-N415 PolarHBondContact O-ND2 3.27Å
412	V	93.4	Very high	94.6	Very high	68 Å²	68	49.6 Å²	49.6	41%	0.412	24%	0.242	S	C	.	.	H	α-helix	trans	-60.9	-45.8	175.9	172.2	0	0	0	0	110.8	Q408 D409 L410 R416	Q408-V412 WeakPolarHBondContact O-CG2 3.39Å; Q408-V412 PolarHBondContact O-N 2.91Å; D409-V412 PolarHBondContact O-N 2.93Å; L410-V412 VanDerWaalsContact C-N 3.33Å; L410-V412 PolarHBondContact O-N 3.43Å; V412-R416 PolarHBondContact O-N 3.16Å; V412-R416 VanDerWaalsContact O-N 3.08Å
413	M	93.7	Very high	94.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-47.2	179.5	-66.1	-169	-65.3	0	0	112.4	Y107 F115 L117 F315 D409 L410 R416 I417	Y107-M413 HydrophobicContact CD1-CG 4.14Å; Y107-M413 HydrophobicContact CD1-SD 3.91Å; Y107-M413 HydrophobicContact CD2-CB 4.22Å; Y107-M413 HydrophobicContact CD2-CG 4.32Å; Y107-M413 HydrophobicContact CD2-SD 4.46Å; Y107-M413 HydrophobicContact CE1-CB 4.48Å; Y107-M413 HydrophobicContact CE1-CG 3.73Å; Y107-M413 HydrophobicContact CE1-SD 4.08Å; Y107-M413 HydrophobicContact CE2-CB 3.7Å; Y107-M413 HydrophobicContact CE2-CG 3.86Å; Y107-M413 HydrophobicContact CG-CG 4.42Å; Y107-M413 HydrophobicContact CG-SD 4.11Å; Y107-M413 WeakPolarHBondContact OH-CA 3.41Å; F115-M413 HydrophobicContact CD1-SD 4.43Å; F115-M413 HydrophobicContact CE1-CG 4.43Å; L117-M413 HydrophobicContact CD1-CE 4.23Å; L117-M413 HydrophobicContact CD1-SD 3.85Å; L117-M413 HydrophobicContact CD2-CE 3.84Å; L117-M413 HydrophobicContact CG-CE 4.23Å; L117-M413 HydrophobicContact CG-SD 4.27Å; F315-M413 HydrophobicContact CD2-CE 3.94Å; F315-M413 HydrophobicContact CD2-SD 4.47Å; F315-M413 HydrophobicContact CE2-CB 3.93Å; F315-M413 HydrophobicContact CE2-CE 3.91Å; F315-M413 HydrophobicContact CE2-CG 4.49Å; F315-M413 HydrophobicContact CE2-SD 3.83Å; D409-M413 WeakPolarHBondContact O-CG 3.18Å; D409-M413 PolarHBondContact O-N 3.39Å; L410-M413 HydrophobicContact CD2-CE 3.79Å; L410-M413 PolarHBondContact O-N 3.13Å; L410-M413 VanDerWaalsContact O-N 3.13Å; M413-R416 PolarHBondContact O-N 3.16Å; M413-I417 WeakPolarHBondContact O-CG1 3.2Å; M413-I417 PolarHBondContact O-N 3.13Å; M413-I417 VanDerWaalsContact O-N 3.14Å
414	T	92.6	Very high	94.8	Very high	3 Å²	3	47 Å²	47	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-43.5	178.9	-55.1	0	0	0	0	111.5	L410 R416 I417 M418	L410-T414 PolarHBondContact O-N 3.07Å; L410-T414 PolarHBondContact O-OG1 3.19Å; L410-T414 VanDerWaalsContact O-OG1 3.12Å; T414-R416 VanDerWaalsContact C-N 3.35Å; T414-R416 PolarHBondContact O-N 3.06Å; T414-I417 PolarHBondContact O-N 3.12Å; T414-I417 VanDerWaalsContact O-N 3.16Å; T414-M418 HydrophobicContact CG2-CE 4.1Å; T414-M418 HydrophobicContact CG2-CG 4.44Å; T414-M418 HydrophobicContact CG2-SD 4.4Å; T414-M418 WeakPolarHBondContact O-CG 3.43Å; T414-M418 PolarHBondContact O-N 2.78Å
415	N	93.3	Very high	94.8	Very high	100 Å²	100	41.9 Å²	41.9	54%	0.535	21%	0.212	S	C	.	.	H	α-helix	trans	-61	-41.6	177.6	-75.6	-15.7	0	0	0	112.4	K411 M418 G419	K411-N415 VanDerWaalsContact O-CB 3.23Å; K411-N415 WeakPolarHBondContact O-CB 3.27Å; K411-N415 PolarHBondContact O-N 3.39Å; K411-N415 PolarHBondContact O-ND2 3.27Å; N415-M418 PolarHBondContact O-N 3.33Å; N415-M418 WeakPolarHBondContact OD1-CE 3.22Å; N415-G419 PolarHBondContact O-N 3.47Å
416	R	93.5	Very high	94.8	Very high	38 Å²	38	44 Å²	44	14%	0.143	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-47	173.8	176.8	-164.7	152.3	54	6.2	111.1	Y107 R108 D109 D110 V412 M413 T414 G419 A420 A477 I479	Y107-R416 WeakPolarHBondContact OH-CD 3.07Å; R108-R416 PolarHBondContact O-NE 3.03Å; D109-R416 PolarHBondContact O-NH2 3.33Å; D110-R416 VanDerWaalsContact CA-NH1 3.29Å; D110-R416 IonicContact OD1-CZ 3.12Å; D110-R416 IonicContact OD1-NH1 2.69Å; D110-R416 PolarHBondContact OD1-NH1 2.64Å; V412-R416 PolarHBondContact O-N 3.16Å; V412-R416 VanDerWaalsContact O-N 3.08Å; M413-R416 PolarHBondContact O-N 3.16Å; T414-R416 VanDerWaalsContact C-N 3.35Å; T414-R416 PolarHBondContact O-N 3.06Å; R416-G419 PolarHBondContact O-N 3.18Å; R416-A420 WeakPolarHBondContact O-CB 3.44Å; R416-A420 PolarHBondContact O-N 2.84Å; R416-A477 PolarHBondContact NH2-O 3.4Å; R416-I479 PolarHBondContact NH2-O 2.52Å
417	I	93.4	Very high	94.9	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-45.7	-178.9	-74.8	175.5	0	0	0	111.1	Y107 F315 M413 T414 G419 A420 R421 G445 M446 V476	Y107-I417 HydrophobicContact CD2-CD1 4.12Å; Y107-I417 HydrophobicContact CD2-CG1 4.44Å; Y107-I417 HydrophobicContact CE2-CD1 4.37Å; Y107-I417 HydrophobicContact CE2-CG1 4.31Å; F315-I417 HydrophobicContact CD1-CD1 4.29Å; F315-I417 HydrophobicContact CE1-CD1 3.16Å; F315-I417 HydrophobicContact CZ-CD1 3.34Å; M413-I417 WeakPolarHBondContact O-CG1 3.2Å; M413-I417 PolarHBondContact O-N 3.13Å; M413-I417 VanDerWaalsContact O-N 3.14Å; T414-I417 PolarHBondContact O-N 3.12Å; T414-I417 VanDerWaalsContact O-N 3.16Å; I417-G419 VanDerWaalsContact C-N 3.32Å; I417-G419 PolarHBondContact O-N 2.9Å; I417-A420 PolarHBondContact O-N 3.02Å; I417-R421 WeakPolarHBondContact O-CG 3.37Å; I417-R421 PolarHBondContact O-N 2.83Å; I417-G445 VanDerWaalsContact CG2-O 3.24Å; I417-G445 WeakPolarHBondContact CG2-O 3.44Å; I417-M446 HydrophobicContact CD1-CG 4.37Å; I417-V476 HydrophobicContact CG2-CG1 3.96Å
418	M	92.9	Very high	94.9	Very high	70 Å²	70	42 Å²	42	35%	0.345	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-42.1	175.3	-69.1	-171.9	-64	0	0	111.5	T414 N415 R421 R422	T414-M418 HydrophobicContact CG2-CE 4.1Å; T414-M418 HydrophobicContact CG2-CG 4.44Å; T414-M418 HydrophobicContact CG2-SD 4.4Å; T414-M418 WeakPolarHBondContact O-CG 3.43Å; T414-M418 PolarHBondContact O-N 2.78Å; N415-M418 PolarHBondContact O-N 3.33Å; N415-M418 WeakPolarHBondContact OD1-CE 3.22Å; M418-R421 PolarHBondContact O-N 3.41Å; M418-R422 WeakPolarHBondContact O-CG 3.35Å; M418-R422 PolarHBondContact O-N 3Å; M418-R422 VanDerWaalsContact O-N 3.09Å
419	G	94.8	Very high	94.9	Very high	29 Å²	29	42.2 Å²	42.2	30%	0.299	22%	0.217	S	C	.	.	H	α-helix	trans	-58.5	-48.6	174	0	0	0	0	0	112	N415 R416 I417 R421 R422 S423	N415-G419 PolarHBondContact O-N 3.47Å; R416-G419 PolarHBondContact O-N 3.18Å; I417-G419 VanDerWaalsContact C-N 3.32Å; I417-G419 PolarHBondContact O-N 2.9Å; G419-R421 PolarHBondContact O-N 3.08Å; G419-R422 PolarHBondContact O-N 3.24Å; G419-S423 WeakPolarHBondContact O-CB 3.47Å; G419-S423 PolarHBondContact O-N 3.05Å; G419-S423 PolarHBondContact O-OG 2.99Å; G419-S423 VanDerWaalsContact O-OG 3.08Å
420	A	95.1	Very high	94.9	Very high	11 Å²	11	51 Å²	51	9%	0.091	26%	0.255	C	S	.	.	H	α-helix	trans	-61.5	-38.9	178.4	0	0	0	0	0	113.2	R416 I417 L424 V476 I479	R416-A420 WeakPolarHBondContact O-CB 3.44Å; R416-A420 PolarHBondContact O-N 2.84Å; I417-A420 PolarHBondContact O-N 3.02Å; A420-L424 WeakPolarHBondContact O-CB 3.4Å; A420-L424 PolarHBondContact O-N 3.08Å; A420-V476 HydrophobicContact CB-CG1 3.96Å; A420-I479 HydrophobicContact CB-CB 4.06Å; A420-I479 HydrophobicContact CB-CG2 4.09Å
421	R	95.2	Very high	94.9	Very high	6 Å²	6	53.8 Å²	53.8	2%	0.023	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-50.3	173.3	-72.4	172.9	179.1	-83.1	5	111.6	I417 M418 G419 L424 K425 I440 V441 Q443 I444 G445 F447 V476	I417-R421 WeakPolarHBondContact O-CG 3.37Å; I417-R421 PolarHBondContact O-N 2.83Å; M418-R421 PolarHBondContact O-N 3.41Å; G419-R421 PolarHBondContact O-N 3.08Å; R421-L424 PolarHBondContact O-N 3.41Å; R421-K425 PolarHBondContact O-N 3.38Å; R421-K425 VanDerWaalsContact O-N 3.1Å; R421-I440 HydrophobicContact CB-CG2 4.11Å; R421-I440 VanDerWaalsContact CD-O 3.24Å; R421-I440 WeakPolarHBondContact CD-O 3.13Å; R421-I440 HydrophobicContact CG-CG2 4.34Å; R421-I440 WeakPolarHBondContact CG-O 3.49Å; R421-I440 PolarHBondContact NH1-O 3.49Å; R421-V441 HydrophobicContact CB-CG2 4.49Å; R421-Q443 PolarHBondContact NE-O 2.86Å; R421-Q443 PolarHBondContact NH1-O 3.24Å; R421-Q443 VanDerWaalsContact NH1-O 3.15Å; R421-I444 PolarHBondContact NH2-O 2.71Å; R421-G445 PolarHBondContact NH2-O 3.18Å; R421-F447 PolarHBondContact NH2-O 3.09Å; R421-V476 HydrophobicContact CG-CG1 3.68Å; R421-V476 HydrophobicContact CG-CG2 4.18Å
422	R	96.3	Very high	94.9	Very high	139 Å²	139	51 Å²	51	53%	0.525	27%	0.271	S	S	.	.	H	α-helix	trans	-61	-49.1	178.3	-68.9	176.3	-170.1	164.7	3.2	111	M418 G419 L424 K425 D426 V441	M418-R422 WeakPolarHBondContact O-CG 3.35Å; M418-R422 PolarHBondContact O-N 3Å; M418-R422 VanDerWaalsContact O-N 3.09Å; G419-R422 PolarHBondContact O-N 3.24Å; R422-L424 VanDerWaalsContact C-N 3.3Å; R422-L424 PolarHBondContact O-N 2.89Å; R422-K425 PolarHBondContact O-N 3.18Å; R422-K425 VanDerWaalsContact O-N 3.16Å; R422-D426 WeakPolarHBondContact O-CB 3.41Å; R422-D426 PolarHBondContact O-N 3Å; R422-V441 HydrophobicContact CG-CG1 4.35Å; R422-V441 HydrophobicContact CG-CG2 4.34Å
423	S	96.6	Very high	94.9	Very high	50 Å²	50	48.7 Å²	48.7	35%	0.35	26%	0.257	S	S	.	.	H	α-helix	trans	-58.5	-40	178.4	-61.2	0	0	0	0	112.7	G419 C427	G419-S423 WeakPolarHBondContact O-CB 3.47Å; G419-S423 PolarHBondContact O-N 3.05Å; G419-S423 PolarHBondContact O-OG 2.99Å; G419-S423 VanDerWaalsContact O-OG 3.08Å; S423-C427 VanDerWaalsContact O-CB 3.27Å; S423-C427 WeakPolarHBondContact O-CB 3.47Å; S423-C427 PolarHBondContact O-N 3.1Å; S423-C427 PolarHBondContact O-SG 3.45Å
424	L	96.9	Very high	94.7	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-64.7	-46.6	176.2	178.6	59	0	0	0	111.6	A420 R421 R422 C427 L428 I440 I479 V484 L487 A488 I491	A420-L424 WeakPolarHBondContact O-CB 3.4Å; A420-L424 PolarHBondContact O-N 3.08Å; R421-L424 PolarHBondContact O-N 3.41Å; R422-L424 VanDerWaalsContact C-N 3.3Å; R422-L424 PolarHBondContact O-N 2.89Å; L424-C427 PolarHBondContact O-N 3.36Å; L424-L428 HydrophobicContact CD1-CD1 4.03Å; L424-L428 HydrophobicContact CD1-CG 4.22Å; L424-L428 HydrophobicContact CG-CD1 3.96Å; L424-L428 WeakPolarHBondContact O-CB 3.47Å; L424-L428 WeakPolarHBondContact O-CD1 3.43Å; L424-L428 VanDerWaalsContact O-CG 3.27Å; L424-L428 WeakPolarHBondContact O-CG 3.33Å; L424-L428 PolarHBondContact O-N 2.8Å; L424-I440 HydrophobicContact CD2-CD1 3.98Å; L424-I440 HydrophobicContact CD2-CG2 4.33Å; L424-I440 HydrophobicContact CG-CD1 4.13Å; L424-I479 HydrophobicContact CB-CD1 4.29Å; L424-I479 HydrophobicContact CD2-CD1 3.69Å; L424-V484 HydrophobicContact CB-CG2 4.12Å; L424-V484 HydrophobicContact CD1-CG2 4.44Å; L424-L487 HydrophobicContact CD1-CD2 3.97Å; L424-L487 HydrophobicContact CD1-CG 4Å; L424-L487 HydrophobicContact CD2-CD2 4.33Å; L424-A488 HydrophobicContact CD1-CB 4.22Å; L424-I491 HydrophobicContact CD1-CD1 4.31Å
425	K	96.4	Very high	94.6	Very high	31 Å²	31	57.5 Å²	57.5	14%	0.135	31%	0.306	C	S	.	.	H	α-helix	trans	-57.7	-51.4	175.5	177.2	-174.6	168.9	-69.8	0	111.1	R421 R422 C427 L428 E429 W437 V441	R421-K425 PolarHBondContact O-N 3.38Å; R421-K425 VanDerWaalsContact O-N 3.1Å; R422-K425 PolarHBondContact O-N 3.18Å; R422-K425 VanDerWaalsContact O-N 3.16Å; K425-C427 VanDerWaalsContact C-N 3.33Å; K425-C427 PolarHBondContact O-N 2.99Å; K425-L428 WeakPolarHBondContact O-CB 3.49Å; K425-L428 PolarHBondContact O-N 3.12Å; K425-L428 VanDerWaalsContact O-N 3.14Å; K425-E429 VanDerWaalsContact CE-OE1 3.26Å; K425-E429 WeakPolarHBondContact CE-OE1 3.42Å; K425-E429 VanDerWaalsContact NZ-CD 3.32Å; K425-E429 IonicContact NZ-OE1 3.02Å; K425-E429 PolarHBondContact NZ-OE1 3.15Å; K425-E429 IonicContact NZ-OE2 3.18Å; K425-E429 PolarHBondContact NZ-OE2 3.07Å; K425-E429 PolarHBondContact O-N 2.7Å; K425-W437 HydrophobicContact CG-CB 4.47Å; K425-V441 HydrophobicContact CB-CG2 4.08Å; K425-V441 HydrophobicContact CD-CG2 3.65Å; K425-V441 HydrophobicContact CG-CG2 4.49Å
426	D	96.6	Very high	94.4	Very high	86 Å²	86	58.8 Å²	58.8	46%	0.46	31%	0.313	S	S	.	.	H	α-helix	trans	-62.9	-40.5	-177.3	-61.5	-14.4	0	0	0	111.2	R422 E429 K430	R422-D426 WeakPolarHBondContact O-CB 3.41Å; R422-D426 PolarHBondContact O-N 3Å; D426-E429 PolarHBondContact O-N 3.14Å; D426-K430 WeakPolarHBondContact O-CB 3.24Å; D426-K430 PolarHBondContact O-N 3.32Å
427	C	97	Very high	94.5	Very high	25 Å²	25	57.4 Å²	57.4	17%	0.169	31%	0.308	C	S	.	.	H	α-helix	trans	-65.8	-38.9	174.7	-73.3	0	0	0	0	112.3	S423 L424 K425 K430 E431 A488	S423-C427 VanDerWaalsContact O-CB 3.27Å; S423-C427 WeakPolarHBondContact O-CB 3.47Å; S423-C427 PolarHBondContact O-N 3.1Å; S423-C427 PolarHBondContact O-SG 3.45Å; L424-C427 PolarHBondContact O-N 3.36Å; K425-C427 VanDerWaalsContact C-N 3.33Å; K425-C427 PolarHBondContact O-N 2.99Å; C427-K430 PolarHBondContact O-N 2.81Å; C427-E431 VanDerWaalsContact O-CG 3.27Å; C427-E431 WeakPolarHBondContact O-CG 3.37Å; C427-E431 PolarHBondContact O-N 3.33Å; C427-A488 HydrophobicContact CB-CB 3.39Å
428	L	96.5	Very high	94.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-39.5	176.6	-75.7	164	0	0	0	112.3	L424 K425 G432 S433 W437 I440 A488 I491	L424-L428 HydrophobicContact CD1-CD1 4.03Å; L424-L428 HydrophobicContact CD1-CG 4.22Å; L424-L428 HydrophobicContact CG-CD1 3.96Å; L424-L428 WeakPolarHBondContact O-CB 3.47Å; L424-L428 WeakPolarHBondContact O-CD1 3.43Å; L424-L428 VanDerWaalsContact O-CG 3.27Å; L424-L428 WeakPolarHBondContact O-CG 3.33Å; L424-L428 PolarHBondContact O-N 2.8Å; K425-L428 WeakPolarHBondContact O-CB 3.49Å; K425-L428 PolarHBondContact O-N 3.12Å; K425-L428 VanDerWaalsContact O-N 3.14Å; L428-G432 PolarHBondContact O-N 3.33Å; L428-S433 VanDerWaalsContact O-CB 3.24Å; L428-S433 WeakPolarHBondContact O-CB 3.32Å; L428-S433 PolarHBondContact O-N 2.79Å; L428-W437 HydrophobicContact CB-CG 4.37Å; L428-W437 HydrophobicContact CD1-CB 4.35Å; L428-W437 HydrophobicContact CD1-CD2 3.75Å; L428-W437 HydrophobicContact CD1-CE3 4.19Å; L428-W437 HydrophobicContact CD1-CG 3.81Å; L428-I440 HydrophobicContact CD1-CD1 3.77Å; L428-A488 HydrophobicContact CD2-CB 4.14Å; L428-A488 WeakPolarHBondContact CD2-O 3.48Å; L428-A488 HydrophobicContact CG-CB 4.06Å; L428-I491 HydrophobicContact CD2-CB 3.83Å; L428-I491 HydrophobicContact CD2-CG2 3.53Å
429	E	94.7	Very high	94.5	Very high	104 Å²	104	58.3 Å²	58.3	49%	0.486	31%	0.312	S	S	.	.	H	α-helix	trans	-64	-42.4	173.1	-71.7	175	173.5	0	0	110.8	K425 D426 E431 G432	K425-E429 VanDerWaalsContact CE-OE1 3.26Å; K425-E429 WeakPolarHBondContact CE-OE1 3.42Å; K425-E429 VanDerWaalsContact NZ-CD 3.32Å; K425-E429 IonicContact NZ-OE1 3.02Å; K425-E429 PolarHBondContact NZ-OE1 3.15Å; K425-E429 IonicContact NZ-OE2 3.18Å; K425-E429 PolarHBondContact NZ-OE2 3.07Å; K425-E429 PolarHBondContact O-N 2.7Å; D426-E429 PolarHBondContact O-N 3.14Å; E429-E431 PolarHBondContact O-N 3.4Å; E429-G432 WeakPolarHBondContact O-CA 3.48Å; E429-G432 PolarHBondContact O-N 2.91Å
430	K	95.5	Very high	94.5	Very high	191 Å²	191	57.1 Å²	57.1	83%	0.83	30%	0.298	S	S	*	.	H	α-helix	trans	-67.4	-31.9	179.6	-149.9	175.3	-169.9	178	0	113.7	D426 C427 G432	D426-K430 WeakPolarHBondContact O-CB 3.24Å; D426-K430 PolarHBondContact O-N 3.32Å; C427-K430 PolarHBondContact O-N 2.81Å; K430-G432 PolarHBondContact O-N 3.43Å
431	E	95.1	Very high	94.4	Very high	58 Å²	58	58.7 Å²	58.7	27%	0.271	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-2.9	171.9	-64.4	-72.3	164.7	0	0	112.4	C427 E429 A488 R489 H492	C427-E431 VanDerWaalsContact O-CG 3.27Å; C427-E431 WeakPolarHBondContact O-CG 3.37Å; C427-E431 PolarHBondContact O-N 3.33Å; E429-E431 PolarHBondContact O-N 3.4Å; E431-A488 HydrophobicContact CG-CB 4.36Å; E431-R489 HydrophobicContact CG-CB 4.35Å; E431-R489 IonicContact OE1-NE 3.23Å; E431-H492 HydrophobicContact CB-CB 4.07Å; E431-H492 PolarHBondContact O-CE1 3.32Å; E431-H492 PolarHBondContact O-ND1 3.18Å
432	G	93.6	Very high	94.3	Very high	53 Å²	53	63.4 Å²	63.4	55%	0.546	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	25.6	175.2	0	0	0	0	0	114.6	L428 E429 K430 S434 H492	L428-G432 PolarHBondContact O-N 3.33Å; E429-G432 WeakPolarHBondContact O-CA 3.48Å; E429-G432 PolarHBondContact O-N 2.91Å; K430-G432 PolarHBondContact O-N 3.43Å; G432-S434 PolarHBondContact O-N 2.94Å; G432-H492 PolarHBondContact O-CE1 2.67Å
433	S	92.5	Very high	94	Very high	19 Å²	19	57.1 Å²	57.1	13%	0.133	31%	0.309	C	S	.	.			trans	-64.2	131.2	176.6	-164.4	0	0	0	0	112	L428 W437 H492	L428-S433 VanDerWaalsContact O-CB 3.24Å; L428-S433 WeakPolarHBondContact O-CB 3.32Å; L428-S433 PolarHBondContact O-N 2.79Å; S433-W437 PolarHBondContact OG-NE1 3.25Å; S433-H492 WeakPolarHBondContact CA-ND1 3.21Å; S433-H492 PolarHBondContact N-ND1 3.07Å
434	S	89.4	Confident	93.7	Very high	105 Å²	105	57 Å²	57	73%	0.734	30%	0.304	S	S	*	.			trans	-89	-5.1	177.6	59.7	0	0	0	0	114.3	G432	G432-S434 PolarHBondContact O-N 2.94Å
435	R	90.4	Very high	93.3	Very high	84 Å²	84	57 Å²	57	32%	0.317	30%	0.304	S	S	.	.	S	Bend	trans	-79.6	149	176.9	-65.6	-172.4	-176.1	-177.6	7.9	110.5	W437 E456 T495	R435-W437 HydrophobicContact CB-CD2 4.49Å; R435-W437 HydrophobicContact CB-CZ2 3.93Å; R435-W437 HydrophobicContact CG-CZ2 4.4Å; R435-W437 PolarHBondContact O-N 3.46Å; R435-W437 PolarHBondContact O-NE1 2.85Å; R435-E456 IonicContact CZ-OE1 3.44Å; R435-E456 IonicContact NH1-OE1 2.65Å; R435-E456 PolarHBondContact NH1-OE1 3.4Å; R435-E456 IonicContact NH1-OE2 3.25Å; R435-E456 IonicContact NH2-OE1 2.67Å; R435-E456 PolarHBondContact NH2-OE1 3.12Å; R435-T495 PolarHBondContact NH2-O 3.34Å
436	N	91.1	Very high	92.9	Very high	128 Å²	128	55.6 Å²	55.6	68%	0.684	30%	0.298	S	S	*	.			trans	-74	121	168.3	-176	0.4	0	0	0	109.5	Q438 H439	N436-Q438 WeakPolarHBondContact OD1-CB 3.47Å; N436-Q438 PolarHBondContact OD1-N 2.63Å; N436-H439 PolarHBondContact O-CE1 3.42Å; N436-H439 PolarHBondContact O-ND1 3.2Å
437	W	94.1	Very high	92.6	Very high	8 Å²	8	51.8 Å²	51.8	3%	0.03	28%	0.277	C	S	.	.			trans	-112	13.8	179.3	-62.4	109.3	0	0	0	113.5	K425 L428 S433 R435 H439 I440 S450 L452 I491 T495	K425-W437 HydrophobicContact CG-CB 4.47Å; L428-W437 HydrophobicContact CB-CG 4.37Å; L428-W437 HydrophobicContact CD1-CB 4.35Å; L428-W437 HydrophobicContact CD1-CD2 3.75Å; L428-W437 HydrophobicContact CD1-CE3 4.19Å; L428-W437 HydrophobicContact CD1-CG 3.81Å; S433-W437 PolarHBondContact OG-NE1 3.25Å; R435-W437 HydrophobicContact CB-CD2 4.49Å; R435-W437 HydrophobicContact CB-CZ2 3.93Å; R435-W437 HydrophobicContact CG-CZ2 4.4Å; R435-W437 PolarHBondContact O-N 3.46Å; R435-W437 PolarHBondContact O-NE1 2.85Å; W437-H439 AromaticContact CE3-CE1 3.68Å; W437-H439 PolarHBondContact O-N 3.02Å; W437-I440 HydrophobicContact CB-CD1 4.03Å; W437-I440 HydrophobicContact CB-CG1 4.48Å; W437-I440 HydrophobicContact CD2-CD1 4.33Å; W437-I440 HydrophobicContact CE3-CD1 3.82Å; W437-I440 HydrophobicContact CE3-CG1 4.4Å; W437-I440 HydrophobicContact CG-CD1 4.46Å; W437-I440 WeakPolarHBondContact O-CB 3.41Å; W437-I440 WeakPolarHBondContact O-CG1 3.24Å; W437-I440 PolarHBondContact O-N 3.14Å; W437-I440 VanDerWaalsContact O-N 3.09Å; W437-S450 WeakPolarHBondContact CZ3-O 3.14Å; W437-L452 HydrophobicContact CH2-CD2 4.28Å; W437-I491 HydrophobicContact CH2-CG2 3.81Å; W437-I491 HydrophobicContact CZ2-CG2 3.89Å; W437-T495 HydrophobicContact CH2-CG2 4.39Å; W437-T495 HydrophobicContact CZ2-CG2 4.45Å
438	Q	94.2	Very high	92.3	Very high	72 Å²	72	50.7 Å²	50.7	34%	0.336	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-33.4	-177	-174.1	55.4	46.7	0	0	112.4	N436 I440 V441 D442	N436-Q438 WeakPolarHBondContact OD1-CB 3.47Å; N436-Q438 PolarHBondContact OD1-N 2.63Å; Q438-I440 PolarHBondContact O-N 2.94Å; Q438-I440 VanDerWaalsContact O-N 3.09Å; Q438-V441 PolarHBondContact O-N 3.31Å; Q438-D442 WeakPolarHBondContact CG-OD2 3.39Å; Q438-D442 PolarHBondContact NE2-OD1 3.01Å; Q438-D442 PolarHBondContact O-N 2.84Å; Q438-D442 VanDerWaalsContact O-N 3.12Å
439	H	93	Very high	92.1	Very high	23 Å²	23	51.8 Å²	51.8	11%	0.106	28%	0.275	C	S	.	.	H	α-helix	trans	-58.1	-24.9	176.9	61.7	-74.8	0	0	0	113.9	C253 N436 W437 V441 D442 Q443 Y449 S450	C253-H439 HydrophobicContact CB-CB 3.85Å; N436-H439 PolarHBondContact O-CE1 3.42Å; N436-H439 PolarHBondContact O-ND1 3.2Å; W437-H439 AromaticContact CE3-CE1 3.68Å; W437-H439 PolarHBondContact O-N 3.02Å; H439-V441 PolarHBondContact O-N 3.1Å; H439-D442 PolarHBondContact O-N 3.4Å; H439-Q443 VanDerWaalsContact O-CB 3.24Å; H439-Q443 WeakPolarHBondContact O-CB 3.46Å; H439-Q443 WeakPolarHBondContact O-CG 3.47Å; H439-Q443 PolarHBondContact O-N 2.96Å; H439-Y449 PolarHBondContact CD2-O 3.4Å; H439-S450 PolarHBondContact NE2-O 2.8Å
440	I	94.2	Very high	92	Very high	3 Å²	3	47 Å²	47	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-60.9	-36	175.4	-62	-178.4	0	0	0	110.8	R421 L424 L428 W437 Q438	R421-I440 HydrophobicContact CB-CG2 4.11Å; R421-I440 VanDerWaalsContact CD-O 3.24Å; R421-I440 WeakPolarHBondContact CD-O 3.13Å; R421-I440 HydrophobicContact CG-CG2 4.34Å; R421-I440 WeakPolarHBondContact CG-O 3.49Å; R421-I440 PolarHBondContact NH1-O 3.49Å; L424-I440 HydrophobicContact CD2-CD1 3.98Å; L424-I440 HydrophobicContact CD2-CG2 4.33Å; L424-I440 HydrophobicContact CG-CD1 4.13Å; L428-I440 HydrophobicContact CD1-CD1 3.77Å; W437-I440 HydrophobicContact CB-CD1 4.03Å; W437-I440 HydrophobicContact CB-CG1 4.48Å; W437-I440 HydrophobicContact CD2-CD1 4.33Å; W437-I440 HydrophobicContact CE3-CD1 3.82Å; W437-I440 HydrophobicContact CE3-CG1 4.4Å; W437-I440 HydrophobicContact CG-CD1 4.46Å; W437-I440 WeakPolarHBondContact O-CB 3.41Å; W437-I440 WeakPolarHBondContact O-CG1 3.24Å; W437-I440 PolarHBondContact O-N 3.14Å; W437-I440 VanDerWaalsContact O-N 3.09Å; Q438-I440 PolarHBondContact O-N 2.94Å; Q438-I440 VanDerWaalsContact O-N 3.09Å
441	V	93.7	Very high	91.8	Very high	45 Å²	45	40.1 Å²	40.1	27%	0.273	24%	0.235	S	C	.	.	H	α-helix	trans	-90.7	-32	-178.7	-177.5	0	0	0	0	111.6	R421 R422 K425 Q438 H439	R421-V441 HydrophobicContact CB-CG2 4.49Å; R422-V441 HydrophobicContact CG-CG1 4.35Å; R422-V441 HydrophobicContact CG-CG2 4.34Å; K425-V441 HydrophobicContact CB-CG2 4.08Å; K425-V441 HydrophobicContact CD-CG2 3.65Å; K425-V441 HydrophobicContact CG-CG2 4.49Å; Q438-V441 PolarHBondContact O-N 3.31Å; H439-V441 PolarHBondContact O-N 3.1Å
442	D	91.4	Very high	91.7	Very high	104 Å²	104	37.7 Å²	37.7	56%	0.556	22%	0.224	S	C	*	.	H	α-helix	trans	-74.2	-31.5	179.8	-58.7	-13.3	0	0	0	112.4	Q438 H439	Q438-D442 WeakPolarHBondContact CG-OD2 3.39Å; Q438-D442 PolarHBondContact NE2-OD1 3.01Å; Q438-D442 PolarHBondContact O-N 2.84Å; Q438-D442 VanDerWaalsContact O-N 3.12Å; H439-D442 PolarHBondContact O-N 3.4Å
443	Q	91.2	Very high	91.6	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.033	22%	0.216	C	C	.	.	S	Bend	trans	-71.3	146.9	175.8	-72	169.2	4.8	0	0	111.9	C253 T283 G284 V285 R421 H439 C448 Y449	C253-Q443 PolarHBondContact O-NE2 3.32Å; T283-Q443 PolarHBondContact O-OE1 3.45Å; T283-Q443 VanDerWaalsContact O-OE1 3.1Å; G284-Q443 CarbonylContact O-C 3.37Å; G284-Q443 WeakPolarHBondContact O-CA 3.46Å; V285-Q443 HydrophobicContact CG2-CG 3.98Å; R421-Q443 PolarHBondContact NE-O 2.86Å; R421-Q443 PolarHBondContact NH1-O 3.24Å; R421-Q443 VanDerWaalsContact NH1-O 3.15Å; H439-Q443 VanDerWaalsContact O-CB 3.24Å; H439-Q443 WeakPolarHBondContact O-CB 3.46Å; H439-Q443 WeakPolarHBondContact O-CG 3.47Å; H439-Q443 PolarHBondContact O-N 2.96Å; Q443-C448 PolarHBondContact OE1-SG 2.81Å; Q443-Y449 PolarHBondContact NE2-O 3.49Å; Q443-Y449 VanDerWaalsContact OE1-N 3.07Å
444	I	89.2	Confident	91.7	Very high	49 Å²	49	41.3 Å²	41.3	25%	0.251	23%	0.231	S	C	.	.			trans	-110.2	151.8	-169.4	-55.5	-179	0	0	0	111.5	G284 D286 A316 R421	G284-I444 WeakPolarHBondContact CA-O 3.23Å; G284-I444 PolarHBondContact O-N 3.49Å; D286-I444 HydrophobicContact CB-CD1 4.34Å; A316-I444 HydrophobicContact CB-CG2 3.57Å; A316-I444 WeakPolarHBondContact O-CG2 3.32Å; R421-I444 PolarHBondContact NH2-O 2.71Å
445	G	88.4	Confident	92	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.021	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-152.7	169.9	0	0	0	0	0	114.5	I417 R421	I417-G445 VanDerWaalsContact CG2-O 3.24Å; I417-G445 WeakPolarHBondContact CG2-O 3.44Å; R421-G445 PolarHBondContact NH2-O 3.18Å
446	M	88.5	Confident	92.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-20.7	-172.5	-70.9	-171.1	74.5	0	0	114.8	Y107 Y312 F315 K345 I417 S475 V476 A477	Y107-M446 VanDerWaalsContact N-CE 3.32Å; Y312-M446 HydrophobicContact CE1-CG 4.31Å; Y312-M446 HydrophobicContact CE1-SD 4.02Å; F315-M446 HydrophobicContact CD1-CG 3.84Å; F315-M446 HydrophobicContact CE1-CB 4.41Å; F315-M446 HydrophobicContact CE1-CG 3.09Å; F315-M446 HydrophobicContact CE1-SD 3.86Å; F315-M446 HydrophobicContact CZ-CG 3.75Å; F315-M446 HydrophobicContact CZ-SD 4.01Å; K345-M446 HydrophobicContact CG-SD 3.9Å; I417-M446 HydrophobicContact CD1-CG 4.37Å; M446-S475 CarbonylContact O-C 3.54Å; M446-V476 PolarHBondContact O-N 3.36Å; M446-A477 HydrophobicContact CE-CB 3.76Å
447	F	91.1	Very high	92.5	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	151.6	-167.9	-53.6	-67.5	0	0	0	112	N281 P282 Y312 R421 R473 I474	N281-F447 HydrophobicContact CB-CD2 4.35Å; N281-F447 HydrophobicContact CB-CE2 4.36Å; P282-F447 WeakPolarHBondContact O-CB 3.45Å; Y312-F447 HydrophobicContact CE1-CE2 4.37Å; Y312-F447 AromaticContact CZ-CE2 4Å; Y312-F447 WeakPolarHBondContact OH-CE2 3.47Å; R421-F447 PolarHBondContact NH2-O 3.09Å; F447-R473 HydrophobicContact CB-CG 4.03Å; F447-R473 HydrophobicContact CD1-CG 4.17Å; F447-R473 HydrophobicContact CG-CG 4.33Å; F447-I474 CarbonylContact C-O 3.55Å; F447-I474 VanDerWaalsContact CA-O 3.29Å; F447-I474 WeakPolarHBondContact CA-O 3.38Å
448	C	91.4	Very high	92.5	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.02	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126.8	172.3	171.8	0	0	0	0	107.9	Q443 S450 R473 I474 V476	Q443-C448 PolarHBondContact OE1-SG 2.81Å; C448-S450 PolarHBondContact O-N 3.21Å; C448-R473 CarbonylContact O-C 3.58Å; C448-R473 WeakPolarHBondContact O-CA 3.38Å; C448-I474 PolarHBondContact N-O 2.83Å; C448-I474 PolarHBondContact O-N 3.27Å; C448-V476 HydrophobicContact CB-CG2 3.96Å
449	Y	92	Very high	92.6	Very high	23 Å²	23	33.2 Å²	33.2	9%	0.09	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	106.5	162.1	-102.9	31	0	0	0	107.8	P217 Y248 P282 T283 H439 Q443 G451 D471 R473	P217-Y449 HydrophobicContact CG-CE2 3.85Å; Y248-Y449 HydrophobicContact CD1-CD2 4.27Å; Y248-Y449 AromaticContact CE1-CD2 3.78Å; Y248-Y449 HydrophobicContact CE1-CD2 3.78Å; Y248-Y449 HydrophobicContact CE1-CE2 4.41Å; Y248-Y449 HydrophobicContact CE2-CD2 4.29Å; Y248-Y449 AromaticContact CZ-CD2 3.79Å; P282-Y449 HydrophobicContact CB-CD1 4.23Å; P282-Y449 HydrophobicContact CB-CE1 3.49Å; P282-Y449 VanDerWaalsContact CB-CE1 3.49Å; P282-Y449 HydrophobicContact CG-CD1 4.3Å; P282-Y449 HydrophobicContact CG-CE1 3.36Å; P282-Y449 HydrophobicContact CG-CE2 4.47Å; P282-Y449 VanDerWaalsContact CG-CZ 3.45Å; P282-Y449 WeakPolarHBondContact CG-OH 3.31Å; P282-Y449 WeakPolarHBondContact O-CD1 3.45Å; T283-Y449 HydrophobicContact CG2-CD1 4.38Å; T283-Y449 HydrophobicContact CG2-CD2 3.82Å; T283-Y449 HydrophobicContact CG2-CE2 3.98Å; T283-Y449 HydrophobicContact CG2-CG 4.03Å; T283-Y449 PolarHBondContact O-N 3.03Å; H439-Y449 PolarHBondContact CD2-O 3.4Å; Q443-Y449 PolarHBondContact NE2-O 3.49Å; Q443-Y449 VanDerWaalsContact OE1-N 3.07Å; Y449-G451 VanDerWaalsContact C-N 3.28Å; Y449-G451 PolarHBondContact O-N 2.98Å; Y449-D471 PolarHBondContact OH-OD2 2.93Å; Y449-R473 HydrophobicContact CD1-CB 3.91Å; Y449-R473 HydrophobicContact CD1-CG 4.03Å; Y449-R473 HydrophobicContact CE1-CB 3.72Å; Y449-R473 HydrophobicContact CE1-CG 4.02Å
450	S	91.5	Very high	92.8	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.028	19%	0.187	C	C	.	.			trans	-70.8	-23.9	-173	61.5	0	0	0	0	113.5	W437 H439 C448 L452 G472	W437-S450 WeakPolarHBondContact CZ3-O 3.14Å; H439-S450 PolarHBondContact NE2-O 2.8Å; C448-S450 PolarHBondContact O-N 3.21Å; S450-L452 VanDerWaalsContact C-N 3.28Å; S450-L452 WeakPolarHBondContact OG-CB 3.34Å; S450-L452 WeakPolarHBondContact OG-CD1 3.38Å; S450-L452 VanDerWaalsContact OG-CG 3.25Å; S450-L452 WeakPolarHBondContact OG-CG 3.25Å; S450-L452 PolarHBondContact OG-N 2.95Å; S450-G472 WeakPolarHBondContact CB-O 3.43Å; S450-G472 PolarHBondContact N-O 3.02Å; S450-G472 VanDerWaalsContact N-O 3.1Å; S450-G472 PolarHBondContact OG-O 3.38Å
451	G	91.1	Very high	92.8	Very high	45 Å²	45	34 Å²	34	46%	0.464	20%	0.197	S	C	.	.			trans	80.1	8.1	-169.3	0	0	0	0	0	113.7	Y449	Y449-G451 VanDerWaalsContact C-N 3.28Å; Y449-G451 PolarHBondContact O-N 2.98Å
452	L	92.8	Very high	92.8	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.042	22%	0.22	C	C	.	.			trans	-70.3	136.4	172.4	-65	171.2	0	0	0	110.9	W437 S450 E456 V457 L460 L468 I491 T495	W437-L452 HydrophobicContact CH2-CD2 4.28Å; S450-L452 VanDerWaalsContact C-N 3.28Å; S450-L452 WeakPolarHBondContact OG-CB 3.34Å; S450-L452 WeakPolarHBondContact OG-CD1 3.38Å; S450-L452 VanDerWaalsContact OG-CG 3.25Å; S450-L452 WeakPolarHBondContact OG-CG 3.25Å; S450-L452 PolarHBondContact OG-N 2.95Å; L452-E456 HydrophobicContact CB-CB 4.4Å; L452-E456 HydrophobicContact CD2-CB 4.22Å; L452-V457 HydrophobicContact CB-CG2 4.1Å; L452-L460 HydrophobicContact CD1-CD1 3.64Å; L452-L468 HydrophobicContact CD1-CD1 4.02Å; L452-I491 HydrophobicContact CD1-CG1 4.41Å; L452-I491 HydrophobicContact CD2-CG2 4.35Å; L452-T495 HydrophobicContact CD2-CG2 3.43Å; L452-T495 VanDerWaalsContact CD2-CG2 3.43Å
453	S	93.3	Very high	93.1	Very high	54 Å²	54	39.2 Å²	39.2	38%	0.378	21%	0.214	S	C	.	.			trans	-73	157.5	173.4	61.5	0	0	0	0	111.9	A455 E456 V457	S453-A455 PolarHBondContact O-N 3.15Å; S453-A455 VanDerWaalsContact O-N 3.15Å; S453-E456 PolarHBondContact N-OE2 2.78Å; S453-E456 PolarHBondContact O-N 3.36Å; S453-E456 VanDerWaalsContact OG-CD 3.23Å; S453-E456 VanDerWaalsContact OG-CG 3.3Å; S453-E456 WeakPolarHBondContact OG-CG 3.45Å; S453-E456 PolarHBondContact OG-N 3.42Å; S453-E456 PolarHBondContact OG-OE2 3.46Å; S453-V457 WeakPolarHBondContact O-CG2 3.44Å; S453-V457 PolarHBondContact O-N 2.91Å
454	E	93.6	Very high	93.3	Very high	94 Å²	94	40.5 Å²	40.5	44%	0.439	22%	0.219	S	C	.	.	H	α-helix	trans	-55.5	-34.7	175.9	-177	171.7	-174.5	0	0	111.8	V457 N458 K470	E454-V457 PolarHBondContact O-N 3.18Å; E454-N458 WeakPolarHBondContact O-CB 3.36Å; E454-N458 PolarHBondContact O-N 2.86Å; E454-N458 PolarHBondContact O-ND2 2.97Å; E454-K470 HydrophobicContact CG-CB 4.32Å; E454-K470 WeakPolarHBondContact OE1-CD 3.42Å; E454-K470 IonicContact OE1-NZ 3.35Å; E454-K470 PolarHBondContact OE1-NZ 3.34Å
455	A	95.5	Very high	93.7	Very high	66 Å²	66	38.7 Å²	38.7	55%	0.545	21%	0.211	S	C	.	.	H	α-helix	trans	-65.1	-41.8	175.7	0	0	0	0	0	112.9	S453 R459	S453-A455 PolarHBondContact O-N 3.15Å; S453-A455 VanDerWaalsContact O-N 3.15Å; A455-R459 WeakPolarHBondContact O-CG 3.38Å; A455-R459 PolarHBondContact O-N 2.85Å
456	E	95.8	Very high	94.1	Very high	18 Å²	18	38.6 Å²	38.6	8%	0.084	21%	0.21	C	C	.	.	H	α-helix	trans	-68	-41.5	175.2	-70.8	160.8	150.9	0	0	111.1	R435 L452 S453 N458 R459 L460 V494	R435-E456 IonicContact CZ-OE1 3.44Å; R435-E456 IonicContact NH1-OE1 2.65Å; R435-E456 PolarHBondContact NH1-OE1 3.4Å; R435-E456 IonicContact NH1-OE2 3.25Å; R435-E456 IonicContact NH2-OE1 2.67Å; R435-E456 PolarHBondContact NH2-OE1 3.12Å; L452-E456 HydrophobicContact CB-CB 4.4Å; L452-E456 HydrophobicContact CD2-CB 4.22Å; S453-E456 PolarHBondContact N-OE2 2.78Å; S453-E456 PolarHBondContact O-N 3.36Å; S453-E456 VanDerWaalsContact OG-CD 3.23Å; S453-E456 VanDerWaalsContact OG-CG 3.3Å; S453-E456 WeakPolarHBondContact OG-CG 3.45Å; S453-E456 PolarHBondContact OG-N 3.42Å; S453-E456 PolarHBondContact OG-OE2 3.46Å; E456-N458 PolarHBondContact O-N 2.91Å; E456-R459 PolarHBondContact O-N 3.43Å; E456-L460 WeakPolarHBondContact O-CG 3.45Å; E456-L460 PolarHBondContact O-N 2.88Å; E456-V494 HydrophobicContact CB-CB 4.48Å; E456-V494 HydrophobicContact CB-CG2 4.08Å; E456-V494 HydrophobicContact CG-CG2 4.41Å
457	V	95.6	Very high	94.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.8	-46.9	174	169.7	0	0	0	0	111.3	L452 S453 E454 R459 L460 I461 L468	L452-V457 HydrophobicContact CB-CG2 4.1Å; S453-V457 WeakPolarHBondContact O-CG2 3.44Å; S453-V457 PolarHBondContact O-N 2.91Å; E454-V457 PolarHBondContact O-N 3.18Å; V457-R459 VanDerWaalsContact C-N 3.27Å; V457-R459 PolarHBondContact O-N 3.18Å; V457-L460 WeakPolarHBondContact O-CB 3.44Å; V457-L460 PolarHBondContact O-N 3.28Å; V457-L460 VanDerWaalsContact O-N 3.15Å; V457-I461 HydrophobicContact CG1-CD1 3.96Å; V457-I461 WeakPolarHBondContact O-CG1 3.28Å; V457-I461 PolarHBondContact O-N 2.91Å; V457-L468 HydrophobicContact CB-CD2 4.35Å; V457-L468 HydrophobicContact CB-CG 4.46Å; V457-L468 HydrophobicContact CG1-CD2 3.72Å; V457-L468 HydrophobicContact CG1-CG 3.84Å; V457-L468 HydrophobicContact CG2-CD1 4.04Å; V457-L468 HydrophobicContact CG2-CD2 4.41Å; V457-L468 HydrophobicContact CG2-CG 4.08Å
458	N	94.7	Very high	94.6	Very high	71 Å²	71	39.5 Å²	39.5	38%	0.38	21%	0.213	S	C	.	.	H	α-helix	trans	-61.8	-36.6	179.1	-74.1	-27.6	0	0	0	112	E454 E456 I461 K462	E454-N458 WeakPolarHBondContact O-CB 3.36Å; E454-N458 PolarHBondContact O-N 2.86Å; E454-N458 PolarHBondContact O-ND2 2.97Å; E456-N458 PolarHBondContact O-N 2.91Å; N458-I461 PolarHBondContact O-N 3.46Å; N458-K462 WeakPolarHBondContact O-CB 3.43Å; N458-K462 PolarHBondContact O-N 3.45Å
459	R	96.5	Very high	94.6	Very high	72 Å²	72	39.8 Å²	39.8	27%	0.272	22%	0.215	S	C	.	.	H	α-helix	trans	-68.6	-40.7	173.7	-73.2	-178.6	61.2	-146.5	-6.5	112.5	A455 E456 V457 I461 K462 D463 V494	A455-R459 WeakPolarHBondContact O-CG 3.38Å; A455-R459 PolarHBondContact O-N 2.85Å; E456-R459 PolarHBondContact O-N 3.43Å; V457-R459 VanDerWaalsContact C-N 3.27Å; V457-R459 PolarHBondContact O-N 3.18Å; R459-I461 VanDerWaalsContact C-N 3.3Å; R459-I461 PolarHBondContact O-N 3.25Å; R459-K462 PolarHBondContact O-N 3.16Å; R459-D463 IonicContact NE-OD2 3.56Å; R459-D463 VanDerWaalsContact O-CB 3.28Å; R459-D463 WeakPolarHBondContact O-CB 3.45Å; R459-D463 PolarHBondContact O-N 2.92Å; R459-V494 HydrophobicContact CB-CB 4.42Å; R459-V494 HydrophobicContact CB-CG1 3.74Å; R459-V494 PolarHBondContact NH1-O 3.3Å
460	L	96.9	Very high	94.5	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-58.3	-43	173.6	-73.3	173.4	0	0	0	112	L452 E456 V457 Y464 S465 I466 L468 A490 I491 V494	L452-L460 HydrophobicContact CD1-CD1 3.64Å; E456-L460 WeakPolarHBondContact O-CG 3.45Å; E456-L460 PolarHBondContact O-N 2.88Å; V457-L460 WeakPolarHBondContact O-CB 3.44Å; V457-L460 PolarHBondContact O-N 3.28Å; V457-L460 VanDerWaalsContact O-N 3.15Å; L460-Y464 HydrophobicContact CD2-CD2 4.36Å; L460-Y464 CarbonylContact O-C 3.43Å; L460-Y464 WeakPolarHBondContact O-CB 3.21Å; L460-Y464 PolarHBondContact O-N 3.4Å; L460-S465 PolarHBondContact O-N 2.97Å; L460-I466 CarbonylContact C-O 3.6Å; L460-I466 HydrophobicContact CB-CB 4.23Å; L460-I466 HydrophobicContact CD2-CD1 4.25Å; L460-I466 PolarHBondContact O-N 3.09Å; L460-L468 HydrophobicContact CB-CD2 4.01Å; L460-L468 HydrophobicContact CD1-CD1 4.18Å; L460-L468 HydrophobicContact CD1-CD2 4.05Å; L460-A490 HydrophobicContact CD2-CB 3.74Å; L460-I491 HydrophobicContact CD1-CG1 4.22Å; L460-I491 HydrophobicContact CD2-CG1 4.36Å; L460-V494 HydrophobicContact CD1-CG2 4.3Å; L460-V494 HydrophobicContact CD2-CG1 3.92Å; L460-V494 HydrophobicContact CD2-CG2 3.91Å; L460-V494 HydrophobicContact CG-CG1 4.11Å; L460-V494 HydrophobicContact CG-CG2 3.9Å
461	I	94.5	Very high	94.3	Very high	42 Å²	42	47.3 Å²	47.3	22%	0.215	25%	0.25	C	S	.	.	H	α-helix	trans	-67	-50.9	177.1	-65.4	169.7	0	0	0	110.5	L87 V457 N458 R459 S465 I466 Y467 L468	L87-I461 HydrophobicContact CD1-CD1 4.38Å; V457-I461 HydrophobicContact CG1-CD1 3.96Å; V457-I461 WeakPolarHBondContact O-CG1 3.28Å; V457-I461 PolarHBondContact O-N 2.91Å; N458-I461 PolarHBondContact O-N 3.46Å; R459-I461 VanDerWaalsContact C-N 3.3Å; R459-I461 PolarHBondContact O-N 3.25Å; I461-S465 WeakPolarHBondContact O-CA 3.46Å; I461-S465 PolarHBondContact O-N 3.09Å; I461-I466 WeakPolarHBondContact CA-O 3.27Å; I461-I466 WeakPolarHBondContact CG1-O 3.38Å; I461-I466 PolarHBondContact N-O 3.47Å; I461-Y467 HydrophobicContact CG2-CD1 4.12Å; I461-Y467 HydrophobicContact CG2-CE1 3.85Å; I461-L468 HydrophobicContact CG1-CD2 4.33Å
462	K	94.5	Very high	94.3	Very high	174 Å²	174	45.1 Å²	45.1	76%	0.757	23%	0.228	S	C	*	.	H	α-helix	trans	-71.3	-47.8	-172.4	-175.6	-171.1	173.9	-170.5	0	113.3	N458 R459	N458-K462 WeakPolarHBondContact O-CB 3.43Å; N458-K462 PolarHBondContact O-N 3.45Å; R459-K462 PolarHBondContact O-N 3.16Å
463	D	96.3	Very high	94.3	Very high	83 Å²	83	45 Å²	45	44%	0.444	23%	0.227	S	C	.	.	H	α-helix	trans	-93.4	-23.5	-167.5	-53.8	-23.5	0	0	0	111.5	R459	R459-D463 IonicContact NE-OD2 3.56Å; R459-D463 VanDerWaalsContact O-CB 3.28Å; R459-D463 WeakPolarHBondContact O-CB 3.45Å; R459-D463 PolarHBondContact O-N 2.92Å
464	Y	97.1	Very high	94.3	Very high	35 Å²	35	42.5 Å²	42.5	14%	0.137	21%	0.21	C	C	.	.	H	α-helix	trans	-127.5	0.6	-173.6	-54.4	-92.8	0	0	0	114.3	L460 I466 Y486 A490 E493 V494	L460-Y464 HydrophobicContact CD2-CD2 4.36Å; L460-Y464 CarbonylContact O-C 3.43Å; L460-Y464 WeakPolarHBondContact O-CB 3.21Å; L460-Y464 PolarHBondContact O-N 3.4Å; Y464-I466 PolarHBondContact O-N 3Å; Y464-Y486 WeakPolarHBondContact CA-OH 3.48Å; Y464-Y486 WeakPolarHBondContact CB-OH 3.26Å; Y464-Y486 HydrophobicContact CD1-CE2 4.44Å; Y464-Y486 PolarHBondContact O-OH 2.85Å; Y464-A490 HydrophobicContact CD1-CB 3.54Å; Y464-A490 HydrophobicContact CD2-CB 4.14Å; Y464-A490 HydrophobicContact CE1-CB 3.99Å; Y464-A490 HydrophobicContact CG-CB 3.64Å; Y464-E493 WeakPolarHBondContact CE1-OE2 3.37Å; Y464-E493 VanDerWaalsContact CZ-OE2 3.27Å; Y464-E493 VanDerWaalsContact OH-CB 3.32Å; Y464-E493 WeakPolarHBondContact OH-CB 3.23Å; Y464-E493 PolarHBondContact OH-OE2 3.36Å; Y464-V494 HydrophobicContact CD2-CG1 4.31Å; Y464-V494 HydrophobicContact CE2-CG1 3.74Å
465	S	97.1	Very high	94.3	Very high	11 Å²	11	38.1 Å²	38.1	8%	0.077	19%	0.189	C	C	.	.			trans	54.5	34.6	-176.4	-64	0	0	0	0	113.6	D94 N96 K99 V100 L460 I461 Y467	D94-S465 WeakPolarHBondContact OD2-CB 3.37Å; D94-S465 PolarHBondContact OD2-OG 2.96Å; N96-S465 WeakPolarHBondContact CB-OG 3.39Å; N96-S465 WeakPolarHBondContact ND2-CB 3.24Å; N96-S465 PolarHBondContact ND2-OG 3.03Å; K99-S465 CarbonylContact C-O 3.56Å; K99-S465 VanDerWaalsContact CA-O 3.23Å; K99-S465 WeakPolarHBondContact CA-O 3.27Å; V100-S465 PolarHBondContact N-O 3.23Å; L460-S465 PolarHBondContact O-N 2.97Å; I461-S465 WeakPolarHBondContact O-CA 3.46Å; I461-S465 PolarHBondContact O-N 3.09Å; S465-Y467 VanDerWaalsContact O-CD2 3.29Å; S465-Y467 WeakPolarHBondContact O-CD2 3.48Å; S465-Y467 WeakPolarHBondContact O-CE2 3.49Å
466	I	96.8	Very high	94.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	109.3	177.2	-63.7	169.9	0	0	0	108.6	V100 L102 L460 I461 Y464 L468 Y486 L487 A490	V100-I466 HydrophobicContact CB-CG1 4.21Å; V100-I466 HydrophobicContact CB-CG2 4.49Å; V100-I466 HydrophobicContact CG2-CG1 4.26Å; L102-I466 HydrophobicContact CD1-CG2 3.71Å; L102-I466 HydrophobicContact CG-CG2 4.41Å; L460-I466 CarbonylContact C-O 3.6Å; L460-I466 HydrophobicContact CB-CB 4.23Å; L460-I466 HydrophobicContact CD2-CD1 4.25Å; L460-I466 PolarHBondContact O-N 3.09Å; I461-I466 WeakPolarHBondContact CA-O 3.27Å; I461-I466 WeakPolarHBondContact CG1-O 3.38Å; I461-I466 PolarHBondContact N-O 3.47Å; Y464-I466 PolarHBondContact O-N 3Å; I466-L468 HydrophobicContact CG2-CD2 4.44Å; I466-L468 WeakPolarHBondContact O-CD2 3.46Å; I466-Y486 HydrophobicContact CD1-CD1 4.24Å; I466-Y486 HydrophobicContact CD1-CE1 3.93Å; I466-Y486 HydrophobicContact CG1-CE1 4.02Å; I466-L487 HydrophobicContact CD1-CD1 3.95Å; I466-L487 HydrophobicContact CG2-CD1 3.8Å; I466-A490 HydrophobicContact CD1-CB 3.43Å; I466-A490 VanDerWaalsContact CD1-CB 3.43Å
467	Y	95.2	Very high	94	Very high	24 Å²	24	34.2 Å²	34.2	9%	0.094	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	110	-172	-68.9	-91.6	0	0	0	111.3	L87 A90 Y91 D94 K99 V100 L102 G103 I461 S465	L87-Y467 HydrophobicContact CD1-CD1 3.67Å; L87-Y467 HydrophobicContact CD1-CG 4.24Å; L87-Y467 HydrophobicContact CG-CD1 4.43Å; A90-Y467 HydrophobicContact CB-CD1 4.27Å; A90-Y467 HydrophobicContact CB-CE1 3.78Å; Y91-Y467 AromaticContact CD2-CD2 3.77Å; Y91-Y467 HydrophobicContact CD2-CD2 3.77Å; Y91-Y467 HydrophobicContact CD2-CE2 4.27Å; Y91-Y467 HydrophobicContact CD2-CG 4.43Å; Y91-Y467 HydrophobicContact CG-CD2 4.38Å; D94-Y467 HydrophobicContact CB-CE2 4.18Å; D94-Y467 WeakPolarHBondContact CB-OH 3.33Å; D94-Y467 PolarHBondContact OD2-OH 3.47Å; K99-Y467 HydrophobicContact CB-CE2 4.47Å; V100-Y467 PolarHBondContact O-N 3.07Å; L102-Y467 CarbonylContact C-O 3.54Å; L102-Y467 VanDerWaalsContact CA-O 3.3Å; L102-Y467 WeakPolarHBondContact CA-O 3.47Å; L102-Y467 WeakPolarHBondContact CB-O 3.45Å; L102-Y467 PolarHBondContact N-O 3.47Å; G103-Y467 PolarHBondContact N-O 3.1Å; G103-Y467 VanDerWaalsContact N-O 3.15Å; I461-Y467 HydrophobicContact CG2-CD1 4.12Å; I461-Y467 HydrophobicContact CG2-CE1 3.85Å; S465-Y467 VanDerWaalsContact O-CD2 3.29Å; S465-Y467 WeakPolarHBondContact O-CD2 3.48Å; S465-Y467 WeakPolarHBondContact O-CE2 3.49Å
468	L	94.2	Very high	93.9	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.167	C	C	.	.			trans	-136	164.6	175.9	69.5	173.4	0	0	0	110.2	L87 L102 L452 V457 L460 I461 I466 I474	L87-L468 VanDerWaalsContact CD2-C 3.45Å; L87-L468 WeakPolarHBondContact CD2-O 3.39Å; L102-L468 HydrophobicContact CB-CB 4.14Å; L452-L468 HydrophobicContact CD1-CD1 4.02Å; V457-L468 HydrophobicContact CB-CD2 4.35Å; V457-L468 HydrophobicContact CB-CG 4.46Å; V457-L468 HydrophobicContact CG1-CD2 3.72Å; V457-L468 HydrophobicContact CG1-CG 3.84Å; V457-L468 HydrophobicContact CG2-CD1 4.04Å; V457-L468 HydrophobicContact CG2-CD2 4.41Å; V457-L468 HydrophobicContact CG2-CG 4.08Å; L460-L468 HydrophobicContact CB-CD2 4.01Å; L460-L468 HydrophobicContact CD1-CD1 4.18Å; L460-L468 HydrophobicContact CD1-CD2 4.05Å; I461-L468 HydrophobicContact CG1-CD2 4.33Å; I466-L468 HydrophobicContact CG2-CD2 4.44Å; I466-L468 WeakPolarHBondContact O-CD2 3.46Å; L468-I474 HydrophobicContact CD1-CD1 4.38Å; L468-I474 HydrophobicContact CD1-CG1 3.88Å
469	T	91.4	Very high	93.9	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.055	15%	0.149	C	C	.	.			trans	-75	152.1	-179.3	53	0	0	0	0	111	I84 L87 D471 G472 R473	I84-T469 HydrophobicContact CG1-CG2 4.28Å; L87-T469 HydrophobicContact CD2-CG2 4.28Å; T469-D471 VanDerWaalsContact CB-OD1 3.22Å; T469-D471 WeakPolarHBondContact CB-OD1 3.43Å; T469-D471 PolarHBondContact O-N 2.87Å; T469-D471 VanDerWaalsContact O-N 3.12Å; T469-D471 PolarHBondContact OG1-OD1 3.38Å; T469-G472 PolarHBondContact O-N 3.46Å; T469-R473 WeakPolarHBondContact OG1-CB 3.33Å; T469-R473 PolarHBondContact OG1-O 3.22Å
470	K	89.8	Confident	93.8	Very high	127 Å²	127	28.6 Å²	28.6	55%	0.552	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.7	-173	-68	-178.2	160.2	-143.7	0	115.1	E454 G472	E454-K470 HydrophobicContact CG-CB 4.32Å; E454-K470 WeakPolarHBondContact OE1-CD 3.42Å; E454-K470 IonicContact OE1-NZ 3.35Å; E454-K470 PolarHBondContact OE1-NZ 3.34Å; K470-G472 PolarHBondContact O-N 3.34Å
471	D	88.2	Confident	93.6	Very high	58 Å²	58	33.4 Å²	33.4	31%	0.31	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	2.8	175.6	58	3.9	0	0	0	113.5	Y449 T469 R473	Y449-D471 PolarHBondContact OH-OD2 2.93Å; T469-D471 VanDerWaalsContact CB-OD1 3.22Å; T469-D471 WeakPolarHBondContact CB-OD1 3.43Å; T469-D471 PolarHBondContact O-N 2.87Å; T469-D471 VanDerWaalsContact O-N 3.12Å; T469-D471 PolarHBondContact OG1-OD1 3.38Å; D471-R473 PolarHBondContact OD1-N 3.47Å; D471-R473 VanDerWaalsContact OD1-N 3.16Å
472	G	91.4	Very high	93.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.			trans	82	10.6	178.9	0	0	0	0	0	114.3	S450 T469 K470 I474	S450-G472 WeakPolarHBondContact CB-O 3.43Å; S450-G472 PolarHBondContact N-O 3.02Å; S450-G472 VanDerWaalsContact N-O 3.1Å; S450-G472 PolarHBondContact OG-O 3.38Å; T469-G472 PolarHBondContact O-N 3.46Å; K470-G472 PolarHBondContact O-N 3.34Å; G472-I474 PolarHBondContact O-N 3.45Å
473	R	92.9	Very high	93.6	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	128.3	172.9	-163.2	-168.1	69.9	-156	-0	110.9	I84 G103 P282 F447 C448 Y449 T469 D471	I84-R473 VanDerWaalsContact CD1-NH1 3.3Å; G103-R473 PolarHBondContact O-NH2 3.44Å; P282-R473 VanDerWaalsContact CB-CD 3.43Å; P282-R473 HydrophobicContact CB-CG 4.01Å; P282-R473 WeakPolarHBondContact O-CG 3.49Å; F447-R473 HydrophobicContact CB-CG 4.03Å; F447-R473 HydrophobicContact CD1-CG 4.17Å; F447-R473 HydrophobicContact CG-CG 4.33Å; C448-R473 CarbonylContact O-C 3.58Å; C448-R473 WeakPolarHBondContact O-CA 3.38Å; Y449-R473 HydrophobicContact CD1-CB 3.91Å; Y449-R473 HydrophobicContact CD1-CG 4.03Å; Y449-R473 HydrophobicContact CE1-CB 3.72Å; Y449-R473 HydrophobicContact CE1-CG 4.02Å; T469-R473 WeakPolarHBondContact OG1-CB 3.33Å; T469-R473 PolarHBondContact OG1-O 3.22Å; D471-R473 PolarHBondContact OD1-N 3.47Å; D471-R473 VanDerWaalsContact OD1-N 3.16Å
474	I	93.2	Very high	93.7	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.015	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.6	171.9	-66.3	175.7	0	0	0	108.9	L102 F447 C448 L468 G472 V476 I479 I491	L102-I474 HydrophobicContact CB-CG2 4.17Å; L102-I474 HydrophobicContact CD1-CG1 4.4Å; L102-I474 HydrophobicContact CD1-CG2 3.98Å; L102-I474 HydrophobicContact CD2-CG2 4.26Å; L102-I474 HydrophobicContact CG-CG2 4.35Å; F447-I474 CarbonylContact C-O 3.55Å; F447-I474 VanDerWaalsContact CA-O 3.29Å; F447-I474 WeakPolarHBondContact CA-O 3.38Å; C448-I474 PolarHBondContact N-O 2.83Å; C448-I474 PolarHBondContact O-N 3.27Å; L468-I474 HydrophobicContact CD1-CD1 4.38Å; L468-I474 HydrophobicContact CD1-CG1 3.88Å; G472-I474 PolarHBondContact O-N 3.45Å; I474-V476 PolarHBondContact O-N 2.99Å; I474-I479 HydrophobicContact CG2-CD1 4.3Å; I474-I491 HydrophobicContact CD1-CD1 4.41Å
475	S	93.6	Very high	93.6	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	103.5	162.8	-174.8	0	0	0	0	108.9	L102 V104 M446 A477 G478	L102-S475 WeakPolarHBondContact O-CB 3.38Å; L102-S475 PolarHBondContact O-N 3.42Å; V104-S475 VanDerWaalsContact O-CB 3.24Å; V104-S475 WeakPolarHBondContact O-CB 3.42Å; V104-S475 PolarHBondContact O-OG 3.44Å; M446-S475 CarbonylContact O-C 3.54Å; S475-A477 PolarHBondContact O-N 2.86Å; S475-G478 PolarHBondContact O-N 3.34Å
476	V	93.4	Very high	93.6	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-59.4	-28.7	178.9	177.3	0	0	0	0	111.1	I417 A420 R421 M446 C448 I474 G478 I479	I417-V476 HydrophobicContact CG2-CG1 3.96Å; A420-V476 HydrophobicContact CB-CG1 3.96Å; R421-V476 HydrophobicContact CG-CG1 3.68Å; R421-V476 HydrophobicContact CG-CG2 4.18Å; M446-V476 PolarHBondContact O-N 3.36Å; C448-V476 HydrophobicContact CB-CG2 3.96Å; I474-V476 PolarHBondContact O-N 2.99Å; V476-G478 PolarHBondContact O-N 3.5Å; V476-G478 VanDerWaalsContact O-N 3.14Å; V476-I479 HydrophobicContact CG1-CD1 4.29Å; V476-I479 WeakPolarHBondContact O-CB 3.37Å; V476-I479 PolarHBondContact O-N 3.18Å
477	A	91.8	Very high	93.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-60.1	-22.9	175.9	0	0	0	0	0	113.8	R416 M446 S475 I479	R416-A477 PolarHBondContact NH2-O 3.4Å; M446-A477 HydrophobicContact CE-CB 3.76Å; S475-A477 PolarHBondContact O-N 2.86Å; A477-I479 VanDerWaalsContact C-N 3.35Å
478	G	92.9	Very high	93.7	Very high	14 Å²	14	30.6 Å²	30.6	14%	0.144	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-81.7	-8.5	175.8	0	0	0	0	0	114.6	S475 V476 N483	S475-G478 PolarHBondContact O-N 3.34Å; V476-G478 PolarHBondContact O-N 3.5Å; V476-G478 VanDerWaalsContact O-N 3.14Å; G478-N483 PolarHBondContact O-ND2 2.68Å
479	I	94.6	Very high	93.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.181	C	C	.	.			trans	-82.4	132.9	177.2	-56	172.1	0	0	0	108.8	L102 R416 A420 L424 I474 V476 A477 N483 V484 L487	L102-I479 HydrophobicContact CD2-CG1 4.02Å; R416-I479 PolarHBondContact NH2-O 2.52Å; A420-I479 HydrophobicContact CB-CB 4.06Å; A420-I479 HydrophobicContact CB-CG2 4.09Å; L424-I479 HydrophobicContact CB-CD1 4.29Å; L424-I479 HydrophobicContact CD2-CD1 3.69Å; I474-I479 HydrophobicContact CG2-CD1 4.3Å; V476-I479 HydrophobicContact CG1-CD1 4.29Å; V476-I479 WeakPolarHBondContact O-CB 3.37Å; V476-I479 PolarHBondContact O-N 3.18Å; A477-I479 VanDerWaalsContact C-N 3.35Å; I479-N483 WeakPolarHBondContact CA-OD1 3.47Å; I479-V484 HydrophobicContact CG2-CB 3.83Å; I479-V484 HydrophobicContact CG2-CG2 3.82Å; I479-L487 HydrophobicContact CD1-CD2 4.16Å; I479-L487 HydrophobicContact CG1-CD2 3.86Å
480	S	94	Very high	94.1	Very high	9 Å²	9	34.8 Å²	34.8	6%	0.063	18%	0.178	C	C	.	.			trans	-133.9	165.4	178.6	61.6	0	0	0	0	111.1	D110 T482 N483 V484	D110-S480 WeakPolarHBondContact O-CB 3.41Å; D110-S480 VanDerWaalsContact OD1-CA 3.32Å; D110-S480 WeakPolarHBondContact OD1-CA 3.37Å; D110-S480 WeakPolarHBondContact OD1-CB 3.38Å; S480-T482 PolarHBondContact O-N 2.83Å; S480-T482 VanDerWaalsContact O-N 3.14Å; S480-T482 PolarHBondContact OG-OG1 3Å; S480-N483 PolarHBondContact N-OD1 2.94Å; S480-N483 PolarHBondContact O-N 3.15Å; S480-N483 PolarHBondContact O-OD1 3.45Å; S480-N483 PolarHBondContact OG-N 2.89Å; S480-N483 PolarHBondContact OG-ND2 2.88Å; S480-N483 VanDerWaalsContact OG-ND2 3.12Å; S480-N483 PolarHBondContact OG-OD1 3.5Å; S480-V484 WeakPolarHBondContact O-CB 3.48Å; S480-V484 PolarHBondContact O-N 3.24Å
481	T	93.8	Very high	94.5	Very high	103 Å²	103	28.9 Å²	28.9	63%	0.632	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.5	173.4	57.8	0	0	0	0	112.8	D110	D110-T481 PolarHBondContact OD1-N 3.25Å; D110-T481 VanDerWaalsContact OD1-N 3.1Å; D110-T481 WeakPolarHBondContact OD2-CB 3.42Å; D110-T481 WeakPolarHBondContact OD2-CG2 3.34Å; D110-T481 PolarHBondContact OD2-OG1 2.8Å
482	T	93.6	Very high	94.9	Very high	111 Å²	111	27.5 Å²	27.5	68%	0.681	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-21.9	-178.2	64.6	0	0	0	0	114.4	S480	S480-T482 PolarHBondContact O-N 2.83Å; S480-T482 VanDerWaalsContact O-N 3.14Å; S480-T482 PolarHBondContact OG-OG1 3Å
483	N	95.4	Very high	95.1	Very high	25 Å²	25	31.4 Å²	31.4	13%	0.134	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-16.2	-175.1	73.7	21.8	0	0	0	114.6	V100 G478 I479 S480 Q485 Y486 L487	V100-N483 HydrophobicContact CG2-CB 4.14Å; G478-N483 PolarHBondContact O-ND2 2.68Å; I479-N483 WeakPolarHBondContact CA-OD1 3.47Å; S480-N483 PolarHBondContact N-OD1 2.94Å; S480-N483 PolarHBondContact O-N 3.15Å; S480-N483 PolarHBondContact O-OD1 3.45Å; S480-N483 PolarHBondContact OG-N 2.89Å; S480-N483 PolarHBondContact OG-ND2 2.88Å; S480-N483 VanDerWaalsContact OG-ND2 3.12Å; S480-N483 PolarHBondContact OG-OD1 3.5Å; N483-Q485 VanDerWaalsContact C-N 3.32Å; N483-Q485 PolarHBondContact O-N 3.01Å; N483-Y486 PolarHBondContact O-N 3.36Å; N483-Y486 VanDerWaalsContact O-N 3.14Å; N483-L487 WeakPolarHBondContact O-CB 3.32Å; N483-L487 PolarHBondContact O-N 3.29Å
484	V	96.6	Very high	95.1	Very high	12 Å²	12	31.3 Å²	31.3	7%	0.073	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-37.9	-171.1	64.8	0	0	0	0	113.1	L424 I479 S480 L487 A488	L424-V484 HydrophobicContact CB-CG2 4.12Å; L424-V484 HydrophobicContact CD1-CG2 4.44Å; I479-V484 HydrophobicContact CG2-CB 3.83Å; I479-V484 HydrophobicContact CG2-CG2 3.82Å; S480-V484 WeakPolarHBondContact O-CB 3.48Å; S480-V484 PolarHBondContact O-N 3.24Å; V484-L487 PolarHBondContact O-N 2.98Å; V484-A488 WeakPolarHBondContact O-CB 3.35Å; V484-A488 PolarHBondContact O-N 3.46Å
485	Q	96.4	Very high	95.1	Very high	118 Å²	118	31.8 Å²	31.8	55%	0.551	17%	0.165	S	C	*	.	H	α-helix	trans	-68.6	-41.7	177.5	-170.8	179.6	12.8	0	0	111.8	N483 L487 A488 R489	N483-Q485 VanDerWaalsContact C-N 3.32Å; N483-Q485 PolarHBondContact O-N 3.01Å; Q485-L487 VanDerWaalsContact C-N 3.35Å; Q485-A488 PolarHBondContact O-N 3.14Å; Q485-R489 WeakPolarHBondContact O-CB 3.36Å; Q485-R489 PolarHBondContact O-N 2.96Å
486	Y	97.1	Very high	94.8	Very high	42 Å²	42	33.9 Å²	33.9	17%	0.165	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-44.3	175.6	176.8	-112.6	0	0	0	111.3	M98 V100 Y464 I466 N483 R489 A490	M98-Y486 HydrophobicContact CB-CE1 4.12Å; M98-Y486 HydrophobicContact CE-CD1 4.33Å; M98-Y486 HydrophobicContact CE-CD2 4.17Å; M98-Y486 HydrophobicContact CE-CG 3.99Å; M98-Y486 WeakPolarHBondContact O-CE1 3.49Å; V100-Y486 HydrophobicContact CG2-CD1 4.2Å; V100-Y486 HydrophobicContact CG2-CE1 4.49Å; Y464-Y486 WeakPolarHBondContact CA-OH 3.48Å; Y464-Y486 WeakPolarHBondContact CB-OH 3.26Å; Y464-Y486 HydrophobicContact CD1-CE2 4.44Å; Y464-Y486 PolarHBondContact O-OH 2.85Å; I466-Y486 HydrophobicContact CD1-CD1 4.24Å; I466-Y486 HydrophobicContact CD1-CE1 3.93Å; I466-Y486 HydrophobicContact CG1-CE1 4.02Å; N483-Y486 PolarHBondContact O-N 3.36Å; N483-Y486 VanDerWaalsContact O-N 3.14Å; Y486-R489 PolarHBondContact O-N 3.48Å; Y486-A490 WeakPolarHBondContact O-CB 3.3Å; Y486-A490 PolarHBondContact O-N 3.32Å
487	L	97	Very high	93.6	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-49.6	176.4	176.1	58.7	0	0	0	112	L102 L424 I466 I479 N483 V484 Q485 R489 A490 I491	L102-L487 HydrophobicContact CD1-CD1 3.62Å; L102-L487 HydrophobicContact CD1-CD2 3.82Å; L102-L487 HydrophobicContact CD1-CG 4.39Å; L102-L487 HydrophobicContact CD2-CD2 4.41Å; L424-L487 HydrophobicContact CD1-CD2 3.97Å; L424-L487 HydrophobicContact CD1-CG 4Å; L424-L487 HydrophobicContact CD2-CD2 4.33Å; I466-L487 HydrophobicContact CD1-CD1 3.95Å; I466-L487 HydrophobicContact CG2-CD1 3.8Å; I479-L487 HydrophobicContact CD1-CD2 4.16Å; I479-L487 HydrophobicContact CG1-CD2 3.86Å; N483-L487 WeakPolarHBondContact O-CB 3.32Å; N483-L487 PolarHBondContact O-N 3.29Å; V484-L487 PolarHBondContact O-N 2.98Å; Q485-L487 VanDerWaalsContact C-N 3.35Å; L487-R489 PolarHBondContact O-N 2.49Å; L487-A490 PolarHBondContact O-N 3.05Å; L487-I491 HydrophobicContact CD1-CD1 3.7Å; L487-I491 HydrophobicContact CD1-CG1 4.07Å; L487-I491 HydrophobicContact CG-CD1 3.88Å; L487-I491 WeakPolarHBondContact O-CB 3.34Å; L487-I491 WeakPolarHBondContact O-CG1 3.27Å; L487-I491 PolarHBondContact O-N 3.44Å
488	A	97.4	Very high	92	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-43.9	-179.6	0	0	0	0	0	112.1	L424 C427 L428 E431 V484 Q485 I491 H492	L424-A488 HydrophobicContact CD1-CB 4.22Å; C427-A488 HydrophobicContact CB-CB 3.39Å; L428-A488 HydrophobicContact CD2-CB 4.14Å; L428-A488 WeakPolarHBondContact CD2-O 3.48Å; L428-A488 HydrophobicContact CG-CB 4.06Å; E431-A488 HydrophobicContact CG-CB 4.36Å; V484-A488 WeakPolarHBondContact O-CB 3.35Å; V484-A488 PolarHBondContact O-N 3.46Å; Q485-A488 PolarHBondContact O-N 3.14Å; A488-I491 PolarHBondContact O-N 3.48Å; A488-H492 WeakPolarHBondContact O-CB 3.16Å; A488-H492 PolarHBondContact O-N 3.43Å
489	R	97	Very high	89.8	Confident	99 Å²	99	47.1 Å²	47.1	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-61	-48.2	176	-169.8	-171.6	-42	164.3	13.3	112.1	E431 Q485 Y486 L487 I491 H492 E493	E431-R489 HydrophobicContact CG-CB 4.35Å; E431-R489 IonicContact OE1-NE 3.23Å; Q485-R489 WeakPolarHBondContact O-CB 3.36Å; Q485-R489 PolarHBondContact O-N 2.96Å; Y486-R489 PolarHBondContact O-N 3.48Å; L487-R489 PolarHBondContact O-N 2.49Å; R489-I491 VanDerWaalsContact C-N 3.34Å; R489-I491 PolarHBondContact O-N 3.42Å; R489-H492 WeakPolarHBondContact O-CB 3.42Å; R489-H492 PolarHBondContact O-N 3.1Å; R489-E493 WeakPolarHBondContact O-CG 3.36Å; R489-E493 PolarHBondContact O-N 3.41Å
490	A	97	Very high	87.5	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-43.6	178.1	0	0	0	0	0	111.7	L460 Y464 I466 Y486 L487 E493 V494	L460-A490 HydrophobicContact CD2-CB 3.74Å; Y464-A490 HydrophobicContact CD1-CB 3.54Å; Y464-A490 HydrophobicContact CD2-CB 4.14Å; Y464-A490 HydrophobicContact CE1-CB 3.99Å; Y464-A490 HydrophobicContact CG-CB 3.64Å; I466-A490 HydrophobicContact CD1-CB 3.43Å; I466-A490 VanDerWaalsContact CD1-CB 3.43Å; Y486-A490 WeakPolarHBondContact O-CB 3.3Å; Y486-A490 PolarHBondContact O-N 3.32Å; L487-A490 PolarHBondContact O-N 3.05Å; A490-E493 PolarHBondContact O-N 2.85Å; A490-V494 WeakPolarHBondContact O-CG1 3.5Å; A490-V494 WeakPolarHBondContact O-CG2 3.24Å; A490-V494 PolarHBondContact O-N 3.49Å
491	I	96.6	Very high	85	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.015	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-46.5	174.4	-71.1	171	0	0	0	110.7	L424 L428 W437 L452 L460 I474 L487 A488 R489 E493 V494 T495	L424-I491 HydrophobicContact CD1-CD1 4.31Å; L428-I491 HydrophobicContact CD2-CB 3.83Å; L428-I491 HydrophobicContact CD2-CG2 3.53Å; W437-I491 HydrophobicContact CH2-CG2 3.81Å; W437-I491 HydrophobicContact CZ2-CG2 3.89Å; L452-I491 HydrophobicContact CD1-CG1 4.41Å; L452-I491 HydrophobicContact CD2-CG2 4.35Å; L460-I491 HydrophobicContact CD1-CG1 4.22Å; L460-I491 HydrophobicContact CD2-CG1 4.36Å; I474-I491 HydrophobicContact CD1-CD1 4.41Å; L487-I491 HydrophobicContact CD1-CD1 3.7Å; L487-I491 HydrophobicContact CD1-CG1 4.07Å; L487-I491 HydrophobicContact CG-CD1 3.88Å; L487-I491 WeakPolarHBondContact O-CB 3.34Å; L487-I491 WeakPolarHBondContact O-CG1 3.27Å; L487-I491 PolarHBondContact O-N 3.44Å; A488-I491 PolarHBondContact O-N 3.48Å; R489-I491 VanDerWaalsContact C-N 3.34Å; R489-I491 PolarHBondContact O-N 3.42Å; I491-E493 PolarHBondContact O-N 3Å; I491-V494 WeakPolarHBondContact O-CG2 3.25Å; I491-V494 PolarHBondContact O-N 2.98Å; I491-T495 HydrophobicContact CG2-CG2 4.3Å; I491-T495 WeakPolarHBondContact O-CB 3.35Å; I491-T495 VanDerWaalsContact O-CG2 3.23Å; I491-T495 WeakPolarHBondContact O-CG2 3.41Å; I491-T495 PolarHBondContact O-N 3.29Å; I491-T495 PolarHBondContact O-OG1 3.44Å
492	H	96.3	Very high	82.4	Confident	28 Å²	28	61 Å²	61	13%	0.13	30%	0.296	C	S	.	.	H	α-helix	trans	-58.5	-49	176.6	177.7	82.5	0	0	0	111.2	E431 G432 S433 A488 R489 V494 T495 N496	E431-H492 HydrophobicContact CB-CB 4.07Å; E431-H492 PolarHBondContact O-CE1 3.32Å; E431-H492 PolarHBondContact O-ND1 3.18Å; G432-H492 PolarHBondContact O-CE1 2.67Å; S433-H492 WeakPolarHBondContact CA-ND1 3.21Å; S433-H492 PolarHBondContact N-ND1 3.07Å; A488-H492 WeakPolarHBondContact O-CB 3.16Å; A488-H492 PolarHBondContact O-N 3.43Å; R489-H492 WeakPolarHBondContact O-CB 3.42Å; R489-H492 PolarHBondContact O-N 3.1Å; H492-V494 PolarHBondContact O-N 3.2Å; H492-T495 PolarHBondContact O-N 2.73Å; H492-T495 PolarHBondContact O-OG1 3.06Å; H492-T495 VanDerWaalsContact O-OG1 3.1Å; H492-N496 PolarHBondContact NE2-ND2 3.24Å; H492-N496 WeakPolarHBondContact O-CB 3.32Å; H492-N496 PolarHBondContact O-N 3.45Å
493	E	95.5	Very high	80	Confident	82 Å²	82	58.7 Å²	58.7	38%	0.383	29%	0.288	S	S	.	.	H	α-helix	trans	-62.3	-40.4	-179.2	-74	179.8	-162.3	0	0	112.9	Y464 R489 A490 I491 V497	Y464-E493 WeakPolarHBondContact CE1-OE2 3.37Å; Y464-E493 VanDerWaalsContact CZ-OE2 3.27Å; Y464-E493 VanDerWaalsContact OH-CB 3.32Å; Y464-E493 WeakPolarHBondContact OH-CB 3.23Å; Y464-E493 PolarHBondContact OH-OE2 3.36Å; R489-E493 WeakPolarHBondContact O-CG 3.36Å; R489-E493 PolarHBondContact O-N 3.41Å; A490-E493 PolarHBondContact O-N 2.85Å; I491-E493 PolarHBondContact O-N 3Å; E493-V497 WeakPolarHBondContact O-CG2 3.48Å
494	V	94.4	Very high	77.7	Confident	3 Å²	3	60 Å²	60	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-72.5	-33.8	178.5	-59.3	0	0	0	0	112.6	E456 R459 L460 Y464 A490 I491 H492	E456-V494 HydrophobicContact CB-CB 4.48Å; E456-V494 HydrophobicContact CB-CG2 4.08Å; E456-V494 HydrophobicContact CG-CG2 4.41Å; R459-V494 HydrophobicContact CB-CB 4.42Å; R459-V494 HydrophobicContact CB-CG1 3.74Å; R459-V494 PolarHBondContact NH1-O 3.3Å; L460-V494 HydrophobicContact CD1-CG2 4.3Å; L460-V494 HydrophobicContact CD2-CG1 3.92Å; L460-V494 HydrophobicContact CD2-CG2 3.91Å; L460-V494 HydrophobicContact CG-CG1 4.11Å; L460-V494 HydrophobicContact CG-CG2 3.9Å; Y464-V494 HydrophobicContact CD2-CG1 4.31Å; Y464-V494 HydrophobicContact CE2-CG1 3.74Å; A490-V494 WeakPolarHBondContact O-CG1 3.5Å; A490-V494 WeakPolarHBondContact O-CG2 3.24Å; A490-V494 PolarHBondContact O-N 3.49Å; I491-V494 WeakPolarHBondContact O-CG2 3.25Å; I491-V494 PolarHBondContact O-N 2.98Å; H492-V494 PolarHBondContact O-N 3.2Å
495	T	92.8	Very high	75.3	Confident	12 Å²	12	63 Å²	63	7%	0.074	32%	0.324	C	S	.	.	H	α-helix	trans	-81.5	-21.5	-177.2	55.7	0	0	0	0	113.7	R435 W437 L452 I491 H492	R435-T495 PolarHBondContact NH2-O 3.34Å; W437-T495 HydrophobicContact CH2-CG2 4.39Å; W437-T495 HydrophobicContact CZ2-CG2 4.45Å; L452-T495 HydrophobicContact CD2-CG2 3.43Å; L452-T495 VanDerWaalsContact CD2-CG2 3.43Å; I491-T495 HydrophobicContact CG2-CG2 4.3Å; I491-T495 WeakPolarHBondContact O-CB 3.35Å; I491-T495 VanDerWaalsContact O-CG2 3.23Å; I491-T495 WeakPolarHBondContact O-CG2 3.41Å; I491-T495 PolarHBondContact O-N 3.29Å; I491-T495 PolarHBondContact O-OG1 3.44Å; H492-T495 PolarHBondContact O-N 2.73Å; H492-T495 PolarHBondContact O-OG1 3.06Å; H492-T495 VanDerWaalsContact O-OG1 3.1Å
496	N	87.7	Confident	73.1	Confident	46 Å²	46	63.3 Å²	63.3	25%	0.246	33%	0.334	C	S	.	.	S	Bend	trans	-86.1	-8	-177.6	-161.7	11.7	0	0	0	114.1	H492 K498 N499	H492-N496 PolarHBondContact NE2-ND2 3.24Å; H492-N496 WeakPolarHBondContact O-CB 3.32Å; H492-N496 PolarHBondContact O-N 3.45Å; N496-K498 PolarHBondContact O-N 3.25Å; N496-N499 WeakPolarHBondContact O-CB 3.5Å; N496-N499 PolarHBondContact O-N 3.17Å; N496-N499 PolarHBondContact OD1-ND2 3.02Å
497	V	68.5	Low	70.6	Confident	47 Å²	47	65.9 Å²	65.9	29%	0.285	36%	0.358	S	S	.	.	H	α-helix	trans	-64.7	-24.7	-174.4	175.1	0	0	0	0	113.9	E493 N499 K500 Q501	E493-V497 WeakPolarHBondContact O-CG2 3.48Å; V497-N499 PolarHBondContact O-N 3.37Å; V497-K500 PolarHBondContact O-N 3.03Å; V497-Q501 PolarHBondContact O-N 2.98Å
498	K	56.6	Low	67.9	Low	157 Å²	157	75.9 Å²	75.9	68%	0.683	41%	0.41	S	S	*	.	H	α-helix	trans	-63.3	-24.8	172.8	-71.8	-172	178	-178	0	113.1	N496	N496-K498 PolarHBondContact O-N 3.25Å
499	N	48.3	Very low	66.5	Low	90 Å²	90	79.7 Å²	79.7	48%	0.481	43%	0.431	S	S	.	.	H	α-helix	trans	-81	-29.7	176.1	-68.7	-24.1	0	0	0	112.7	N496 V497 A503	N496-N499 WeakPolarHBondContact O-CB 3.5Å; N496-N499 PolarHBondContact O-N 3.17Å; N496-N499 PolarHBondContact OD1-ND2 3.02Å; V497-N499 PolarHBondContact O-N 3.37Å; N499-A503 VanDerWaalsContact O-CB 3.31Å; N499-A503 WeakPolarHBondContact O-CB 3.31Å; N499-A503 PolarHBondContact O-N 3.19Å
500	K	45.1	Very low	64.9	Low	153 Å²	153	78.6 Å²	78.6	67%	0.665	43%	0.434	S	S	*	.	H	α-helix	trans	-75.3	-32.7	-179.8	-71.9	-170.7	177.5	-178.6	0	113.1	V497 A504	V497-K500 PolarHBondContact O-N 3.03Å; K500-A504 WeakPolarHBondContact O-CB 3.49Å; K500-A504 PolarHBondContact O-N 3.32Å
501	Q	41.9	Very low	63.1	Low	140 Å²	140	83 Å²	83	65%	0.654	46%	0.458	S	S	*	.	H	α-helix	trans	-73.1	-35.9	175.5	-74.2	179.5	-20.2	0	0	112.5	V497 S505	V497-Q501 PolarHBondContact O-N 2.98Å; Q501-S505 PolarHBondContact O-N 3.39Å; Q501-S505 PolarHBondContact O-OG 3.22Å
502	N	39.6	Very low	61.1	Low	111 Å²	111	87.7 Å²	87.7	59%	0.594	48%	0.484	S	S	*	.	H	α-helix	trans	-75.2	-30.1	175.1	-75.9	-4.7	0	0	0	113.4	S505 V506	N502-S505 WeakPolarHBondContact CA-OG 3.47Å; N502-S505 PolarHBondContact O-OG 3.3Å; N502-V506 WeakPolarHBondContact O-CG2 3.36Å
503	A	43.7	Very low	58.9	Low	64 Å²	64	91.4 Å²	91.4	53%	0.529	51%	0.506	S	S	.	.	H	α-helix	trans	-70.7	-35.6	174.1	0	0	0	0	0	112.2	N499 V506 S507	N499-A503 VanDerWaalsContact O-CB 3.31Å; N499-A503 WeakPolarHBondContact O-CB 3.31Å; N499-A503 PolarHBondContact O-N 3.19Å; A503-V506 PolarHBondContact O-N 3.43Å; A503-S507 PolarHBondContact O-N 3.26Å; A503-S507 PolarHBondContact O-OG 3.38Å
504	A	46.6	Very low	56.5	Low	51 Å²	51	92.1 Å²	92.1	42%	0.421	51%	0.514	S	S	.	.	H	α-helix	trans	-72.6	-25.6	177.5	0	0	0	0	0	113.6	K500 S507	K500-A504 WeakPolarHBondContact O-CB 3.49Å; K500-A504 PolarHBondContact O-N 3.32Å; A504-S507 PolarHBondContact O-OG 3.02Å
505	S	44.9	Very low	53.7	Low	76 Å²	76	98.4 Å²	98.4	53%	0.531	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-8	175.4	60.6	0	0	0	0	114.3	Q501 N502	Q501-S505 PolarHBondContact O-N 3.39Å; Q501-S505 PolarHBondContact O-OG 3.22Å; N502-S505 WeakPolarHBondContact CA-OG 3.47Å; N502-S505 PolarHBondContact O-OG 3.3Å
506	V	50.2	Low	50.7	Low	125 Å²	125	105.1 Å²	105.1	76%	0.758	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	-10.6	174.7	178.4	0	0	0	0	111.2	N502 A503	N502-V506 WeakPolarHBondContact O-CG2 3.36Å; A503-V506 PolarHBondContact O-N 3.43Å
507	S	46.3	Very low	47.7	Very low	96 Å²	96	110 Å²	110	67%	0.671	61%	0.614	S	S	*	*			trans	-102.3	8.4	177	64.7	0	0	0	0	114.5	A503 A504	A503-S507 PolarHBondContact O-N 3.26Å; A503-S507 PolarHBondContact O-OG 3.38Å; A504-S507 PolarHBondContact O-OG 3.02Å
508	L	40.2	Very low	45.8	Very low	210 Å²	210	115.7 Å²	115.7	100%	1.099	64%	0.644	S	S	*	*			trans	-117.7	0	168.6	-81.7	164	0	0	0	107.6

Retrieved 508 of 508 residues in 333.7 ms (Link to these results)

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