A0A087Y7V0_POEFO Loading...

1-aminocyclopropane-1-carboxylate synthase homolog (Arabidopsis)(non-functional)

AlphaFold DB , UniProt , Accession A0A087Y7V0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 752 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	32.8	Very low	27.8	Very low	218 Å²	218	136.1 Å²	136.1	100%	1.074	84%	0.836	S	S	*	*				0	64.7	0	-60.2	178.3	-173	0	0	107.8
2	D	28.4	Very low	27.5	Very low	155 Å²	155	130.3 Å²	130.3	83%	0.829	82%	0.824	S	S	*	*			cis	97.4	133.2	48.5	-60.4	-20	0	0	0	109.4
3	A	27.6	Very low	28.6	Very low	94 Å²	94	129.7 Å²	129.7	78%	0.777	82%	0.822	S	S	*	*			cis	-154.3	172.8	-7.7	0	0	0	0	0	110.7
4	S	29.4	Very low	28.5	Very low	119 Å²	119	129.7 Å²	129.7	83%	0.832	82%	0.819	S	S	*	*			trans	-76.4	156.4	172.1	49.2	0	0	0	0	113
5	A	28	Very low	28.1	Very low	102 Å²	102	133.5 Å²	133.5	84%	0.843	83%	0.826	S	S	*	*			trans	-158.1	121.2	149.2	0	0	0	0	0	111.5
6	T	28.2	Very low	28.1	Very low	147 Å²	147	134.3 Å²	134.3	90%	0.902	82%	0.817	S	S	*	*			trans	-97.2	158.9	162.5	43.5	0	0	0	0	109.9
7	S	25.6	Very low	28	Very low	122 Å²	122	135.5 Å²	135.5	85%	0.853	81%	0.811	S	S	*	*			trans	-153	154	156.9	64.5	0	0	0	0	110.7
8	A	26.8	Very low	27.8	Very low	90 Å²	90	136.4 Å²	136.4	74%	0.744	82%	0.818	S	S	*	*			trans	-161	174.8	-175.6	0	0	0	0	0	112
9	T	27.2	Very low	27.7	Very low	125 Å²	125	135.2 Å²	135.2	77%	0.767	82%	0.817	S	S	*	*			trans	73.3	120.5	160.6	18.4	0	0	0	0	121.1
10	H	25.1	Very low	27.7	Very low	174 Å²	174	138.4 Å²	138.4	81%	0.806	82%	0.822	S	S	*	*				-151.4	122.7	125.5	-93.6	-83.9	0	0	0	105.5
11	I	27.3	Very low	27.6	Very low	151 Å²	151	140.3 Å²	140.3	77%	0.774	82%	0.823	S	S	*	*				59.3	127	76.7	-58.3	169.3	0	0	0	110.9
12	G	23.7	Very low	27.9	Very low	67 Å²	67	135.9 Å²	135.9	69%	0.691	81%	0.811	S	S	*	*			cis	159.8	-167.8	10.7	0	0	0	0	0	106.8
13	P	42.1	Very low	27.8	Very low	122 Å²	122	134 Å²	134	79%	0.792	81%	0.81	S	S	*	*			cis	-101.8	179.9	-21.6	40.4	-27.8	0	0	0	111.5
14	V	26.6	Very low	27.7	Very low	130 Å²	130	132.9 Å²	132.9	79%	0.788	81%	0.808	S	S	*	*			cis	79.6	118	35	-172.2	0	0	0	0	116.6
15	M	23.6	Very low	27.5	Very low	187 Å²	187	136.7 Å²	136.7	92%	0.921	81%	0.812	S	S	*	*			trans	-148.9	165.9	156.6	-86.6	-149.4	73.6	0	0	110.2
16	Q	27	Very low	27.5	Very low	145 Å²	145	136.3 Å²	136.3	68%	0.678	81%	0.809	S	S	*	*			trans	-147.2	148.4	-155.4	-179.8	178.3	-5	0	0	113.3
17	E	26.4	Very low	27.9	Very low	155 Å²	155	135.6 Å²	135.6	72%	0.724	81%	0.807	S	S	*	*			trans	51.2	136.7	159.4	-76.4	164	-140.8	0	0	122.9
18	T	24.1	Very low	28.1	Very low	152 Å²	152	142.1 Å²	142.1	93%	0.933	81%	0.813	S	S	*	*				-160.9	161.3	120.1	5.1	0	0	0	0	110
19	S	26.8	Very low	28.1	Very low	114 Å²	114	141.5 Å²	141.5	80%	0.797	82%	0.815	S	S	*	*			trans	-136.4	148.8	-178.6	62.2	0	0	0	0	111.4
20	E	26.9	Very low	28	Very low	198 Å²	198	141.4 Å²	141.4	93%	0.925	82%	0.82	S	S	*	*			trans	-152.3	145.8	166.7	-121.5	168.5	-153.4	0	0	111.5
21	Q	27.1	Very low	28.2	Very low	180 Å²	180	140 Å²	140	84%	0.841	82%	0.824	S	S	*	*			trans	-115.9	167.3	169.2	-81.5	-166.9	-19.1	0	0	109
22	P	37.6	Very low	28.3	Very low	125 Å²	125	138.6 Å²	138.6	81%	0.812	83%	0.827	S	S	*	*				-137.7	162.4	119.1	35.6	-24.6	0	0	0	115.6
23	S	27.2	Very low	28.5	Very low	115 Å²	115	141 Å²	141	80%	0.804	83%	0.828	S	S	*	*			trans	-62.1	165.9	159.7	47.7	0	0	0	0	111.8
24	G	25.4	Very low	27.8	Very low	71 Å²	71	144.2 Å²	144.2	73%	0.732	83%	0.83	S	S	*	*			cis	-169.3	-153.7	2.8	0	0	0	0	0	108.6
25	E	25.8	Very low	27.9	Very low	198 Å²	198	146.8 Å²	146.8	93%	0.925	83%	0.833	S	S	*	*			cis	-152.6	-174.8	-2.7	-79.8	-153.1	88.1	0	0	108.4
26	A	28.3	Very low	28.3	Very low	94 Å²	94	149.3 Å²	149.3	78%	0.777	83%	0.832	S	S	*	*			trans	-143.9	136.4	174.3	0	0	0	0	0	114
27	P	35.4	Very low	28.4	Very low	132 Å²	132	152.3 Å²	152.3	86%	0.857	84%	0.843	S	S	*	*			trans	-103.4	146.6	165.7	35.4	-29.1	0	0	0	113.2
28	R	29.5	Very low	28.6	Very low	259 Å²	259	156.1 Å²	156.1	98%	0.977	85%	0.851	S	S	*	*			trans	-105.9	149	172.3	-71.5	179.7	171.2	-171.9	-1.4	111.5
29	G	26.6	Very low	28.8	Very low	78 Å²	78	159.7 Å²	159.7	80%	0.804	85%	0.847	S	S	*	*			trans	150.6	150.3	161.5	0	0	0	0	0	113.2
30	S	24.8	Very low	29	Very low	122 Å²	122	165.3 Å²	165.3	85%	0.853	85%	0.851	S	S	*	*			cis	-156.7	162.4	-9	61.7	0	0	0	0	110.6
31	T	30.8	Very low	29.4	Very low	146 Å²	146	160 Å²	160	90%	0.896	85%	0.85	S	S	*	*			trans	-87.3	125.7	-176.5	48.4	0	0	0	0	113.4
32	S	28.3	Very low	29.4	Very low	120 Å²	120	155.1 Å²	155.1	84%	0.839	85%	0.847	S	S	*	*			trans	-107.5	174.7	166.5	66.8	0	0	0	0	111.5
33	V	28.3	Very low	29.5	Very low	118 Å²	118	161.8 Å²	161.8	72%	0.715	86%	0.856	S	S	*	*			trans	-156.4	149.8	-163.8	82.4	0	0	0	0	116.4
34	K	28.1	Very low	29.7	Very low	189 Å²	189	160.9 Å²	160.9	82%	0.822	86%	0.856	S	S	*	*			trans	74.8	158.1	172.6	-58.4	158.6	-170.7	166.7	0	114.4
35	Q	27.3	Very low	30.5	Very low	184 Å²	184	163.5 Å²	163.5	86%	0.86	86%	0.863	S	S	*	*			cis	-132.8	159.9	17.3	-66.2	-178.7	0.6	0	0	114.9
36	R	33.8	Very low	30.8	Very low	240 Å²	240	160.4 Å²	160.4	91%	0.906	86%	0.862	S	S	*	*			trans	-80.2	143.6	161.2	-86.3	175.6	163.6	164.9	-4.3	110.9
37	K	28.3	Very low	31.1	Very low	208 Å²	208	158.2 Å²	158.2	90%	0.904	85%	0.848	S	S	*	*			trans	-139.8	121	153.9	-140.8	169.7	-173	175.3	0	111
38	R	30.6	Very low	31.4	Very low	235 Å²	235	163.8 Å²	163.8	89%	0.887	85%	0.852	S	S	*	*			trans	-91.7	141.3	174.9	-81.5	173.9	157.7	176.5	-7.5	109.7
39	R	28.9	Very low	32.1	Very low	228 Å²	228	155.3 Å²	155.3	86%	0.86	83%	0.833	S	S	*	*				178.4	143.9	112.4	-100	175.7	177.1	-168.2	0.1	114.4
40	R	29.1	Very low	32.9	Very low	232 Å²	232	153.5 Å²	153.5	88%	0.875	81%	0.814	S	S	*	*			trans	35.7	101	147.5	-67.5	-176.3	169.6	-175	-4.7	119.2
41	G	36.8	Very low	34.1	Very low	87 Å²	87	153.2 Å²	153.2	90%	0.897	81%	0.807	S	S	*	*				50.9	109	102.1	0	0	0	0	0	119.5
42	G	26.8	Very low	34.9	Very low	77 Å²	77	154.7 Å²	154.7	79%	0.794	80%	0.796	S	S	*	*			trans	-135.3	128.4	154.5	0	0	0	0	0	109.7	A44	G42-A44 PolarHBondContact O-N 2.93Å
43	R	40.3	Very low	36	Very low	264 Å²	264	154.6 Å²	154.6	100%	0.996	78%	0.782	S	S	*	*			trans	-80.1	109.9	165.5	-86.2	-176.1	172.2	178.7	-2.4	107.5
44	A	30.7	Very low	37.4	Very low	97 Å²	97	152.8 Å²	152.8	80%	0.802	78%	0.775	S	S	*	*			trans	-113.6	126.7	166.1	0	0	0	0	0	108.6	G42 C46	G42-A44 PolarHBondContact O-N 2.93Å; A44-C46 PolarHBondContact O-N 3.16Å
45	S	42.7	Very low	38.8	Very low	125 Å²	125	148.9 Å²	148.9	87%	0.874	76%	0.762	S	S	*	*			trans	-79.4	99.3	179.3	50.2	0	0	0	0	110.5
46	C	31.3	Very low	40.7	Very low	133 Å²	133	143.4 Å²	143.4	90%	0.899	74%	0.739	S	S	*	*			trans	-76	133.1	167.3	-156.7	0	0	0	0	109.4	A44	A44-C46 PolarHBondContact O-N 3.16Å
47	G	35.1	Very low	42.4	Very low	48 Å²	48	139 Å²	139	50%	0.495	73%	0.727	S	S	.	*			trans	-71.8	151.1	-167.9	0	0	0	0	0	114.5	S49	G47-S49 PolarHBondContact O-N 2.99Å
48	R	42.2	Very low	44.3	Very low	249 Å²	249	131.9 Å²	131.9	94%	0.94	71%	0.707	S	S	*	*	S	Bend	trans	-67.7	-6	175.6	-100	-177.5	170.1	-175.2	-3.9	114.8
49	S	43.6	Very low	46.2	Very low	81 Å²	81	125 Å²	125	57%	0.566	69%	0.686	S	S	*	*	S	Bend	trans	-76.1	-56.1	-175	46.8	0	0	0	0	113.8	G47 V51 R52 E53	G47-S49 PolarHBondContact O-N 2.99Å; S49-V51 VanDerWaalsContact C-N 3.25Å; S49-V51 PolarHBondContact O-N 3.23Å; S49-V51 VanDerWaalsContact O-N 3.11Å; S49-R52 WeakPolarHBondContact O-CA 3.47Å; S49-R52 WeakPolarHBondContact O-CB 3.49Å; S49-R52 PolarHBondContact O-N 3.1Å; S49-E53 PolarHBondContact O-N 3.27Å
50	G	43.5	Very low	48.6	Very low	40 Å²	40	118.8 Å²	118.8	41%	0.412	67%	0.674	S	S	.	*	H	α-helix	trans	-63.7	-23.8	-167.6	0	0	0	0	0	115.5	S54	G50-S54 PolarHBondContact O-N 3.16Å
51	V	49.4	Very low	50.8	Low	117 Å²	117	111.3 Å²	111.3	71%	0.709	66%	0.657	S	S	*	*	H	α-helix	trans	-73.3	-30.1	173.5	-177.8	0	0	0	0	111.5	S49 L55	S49-V51 VanDerWaalsContact C-N 3.25Å; S49-V51 PolarHBondContact O-N 3.23Å; S49-V51 VanDerWaalsContact O-N 3.11Å; V51-L55 PolarHBondContact O-N 3.45Å
52	R	47.6	Very low	52.8	Low	177 Å²	177	112.7 Å²	112.7	67%	0.668	64%	0.639	S	S	*	*	H	α-helix	trans	-75.1	-47.8	177.5	-159.1	-175.6	178.4	173.8	1.6	110.8	S49 S54 L55 D56	S49-R52 WeakPolarHBondContact O-CA 3.47Å; S49-R52 WeakPolarHBondContact O-CB 3.49Å; S49-R52 PolarHBondContact O-N 3.1Å; R52-S54 PolarHBondContact O-N 2.9Å; R52-L55 PolarHBondContact O-N 3.18Å; R52-D56 IonicContact NE-OD2 2.67Å; R52-D56 PolarHBondContact O-N 3.26Å
53	E	51.3	Low	55.3	Low	118 Å²	118	113.6 Å²	113.6	55%	0.551	63%	0.625	S	S	*	*	H	α-helix	trans	-57.6	-32	175.9	-63.7	177.1	126.4	0	0	113.2	S49 K57	S49-E53 PolarHBondContact O-N 3.27Å; E53-K57 WeakPolarHBondContact O-CB 3.49Å; E53-K57 WeakPolarHBondContact O-CD 3.44Å; E53-K57 VanDerWaalsContact O-CG 3.23Å; E53-K57 WeakPolarHBondContact O-CG 3.43Å; E53-K57 PolarHBondContact O-N 3.47Å
54	S	58.8	Low	57.1	Low	80 Å²	80	104.2 Å²	104.2	56%	0.559	60%	0.6	S	S	*	*	H	α-helix	trans	-69.2	-44.2	174.1	-172.7	0	0	0	0	112.2	G50 R52 A58	G50-S54 PolarHBondContact O-N 3.16Å; R52-S54 PolarHBondContact O-N 2.9Å; S54-A58 PolarHBondContact O-N 2.94Å; S54-A58 VanDerWaalsContact O-N 3.12Å
55	L	57.2	Low	59.8	Low	106 Å²	106	107.2 Å²	107.2	56%	0.555	59%	0.591	S	S	*	*	H	α-helix	trans	-69.3	-42.7	178.9	-165.9	75.9	0	0	0	111.9	V51 R52 K57 A58 L59	V51-L55 PolarHBondContact O-N 3.45Å; R52-L55 PolarHBondContact O-N 3.18Å; L55-K57 VanDerWaalsContact C-N 3.31Å; L55-K57 PolarHBondContact O-N 2.95Å; L55-A58 PolarHBondContact O-N 2.88Å; L55-L59 PolarHBondContact O-N 3.28Å
56	D	66.8	Low	61.6	Low	70 Å²	70	104.7 Å²	104.7	37%	0.374	57%	0.565	S	S	.	*	H	α-helix	trans	-64.3	-37.9	179.7	-61.7	-23.4	0	0	0	110.4	R52 L59 V60	R52-D56 IonicContact NE-OD2 2.67Å; R52-D56 PolarHBondContact O-N 3.26Å; D56-L59 PolarHBondContact O-N 2.8Å; D56-V60 WeakPolarHBondContact O-CG2 3.35Å; D56-V60 PolarHBondContact O-N 3.4Å
57	K	69.8	Low	63.9	Low	148 Å²	148	103.6 Å²	103.6	64%	0.643	55%	0.547	S	S	*	.	H	α-helix	trans	-64.1	-43.8	171.5	-78.2	173.1	-178.2	175.7	0	112.9	E53 L55 L59 V60 S61	E53-K57 WeakPolarHBondContact O-CB 3.49Å; E53-K57 WeakPolarHBondContact O-CD 3.44Å; E53-K57 VanDerWaalsContact O-CG 3.23Å; E53-K57 WeakPolarHBondContact O-CG 3.43Å; E53-K57 PolarHBondContact O-N 3.47Å; L55-K57 VanDerWaalsContact C-N 3.31Å; L55-K57 PolarHBondContact O-N 2.95Å; K57-L59 VanDerWaalsContact C-N 3.33Å; K57-L59 PolarHBondContact O-N 3.36Å; K57-V60 PolarHBondContact O-N 3.33Å; K57-S61 PolarHBondContact O-N 2.93Å; K57-S61 PolarHBondContact O-OG 2.9Å
58	A	68.7	Low	66.2	Low	58 Å²	58	103.3 Å²	103.3	48%	0.479	54%	0.537	S	S	.	.	H	α-helix	trans	-63	-39.5	177.3	0	0	0	0	0	112.1	S54 L55 S61 F62	S54-A58 PolarHBondContact O-N 2.94Å; S54-A58 VanDerWaalsContact O-N 3.12Å; L55-A58 PolarHBondContact O-N 2.88Å; A58-S61 PolarHBondContact O-N 3.48Å; A58-F62 PolarHBondContact O-N 2.76Å
59	L	69.8	Low	68	Low	89 Å²	89	93 Å²	93	47%	0.466	51%	0.505	S	S	.	.	H	α-helix	trans	-63.4	-45.2	173.5	-95.9	158.6	0	0	0	112.4	L55 D56 K57 S61 F62 L63	L55-L59 PolarHBondContact O-N 3.28Å; D56-L59 PolarHBondContact O-N 2.8Å; K57-L59 VanDerWaalsContact C-N 3.33Å; K57-L59 PolarHBondContact O-N 3.36Å; L59-S61 VanDerWaalsContact C-N 3.35Å; L59-S61 PolarHBondContact O-N 2.9Å; L59-F62 PolarHBondContact O-N 2.89Å; L59-L63 WeakPolarHBondContact O-CB 3.45Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.47Å; L59-L63 PolarHBondContact O-N 3.27Å
60	V	80.2	Confident	69.8	Low	98 Å²	98	93.8 Å²	93.8	59%	0.594	50%	0.5	S	S	*	.	H	α-helix	trans	-62.1	-41.4	175.8	169	0	0	0	0	111.4	D56 K57 S64	D56-V60 WeakPolarHBondContact O-CG2 3.35Å; D56-V60 PolarHBondContact O-N 3.4Å; K57-V60 PolarHBondContact O-N 3.33Å; V60-S64 WeakPolarHBondContact O-CB 3.33Å; V60-S64 PolarHBondContact O-N 3.47Å; V60-S64 PolarHBondContact O-OG 2.72Å
61	S	74.9	Confident	71.9	Confident	76 Å²	76	96.7 Å²	96.7	53%	0.531	50%	0.503	S	S	.	.	H	α-helix	trans	-65	-38.1	175.1	-64.3	0	0	0	0	113.3	K57 A58 L59 S64 W65	K57-S61 PolarHBondContact O-N 2.93Å; K57-S61 PolarHBondContact O-OG 2.9Å; A58-S61 PolarHBondContact O-N 3.48Å; L59-S61 VanDerWaalsContact C-N 3.35Å; L59-S61 PolarHBondContact O-N 2.9Å; S61-S64 PolarHBondContact O-OG 2.94Å; S61-W65 WeakPolarHBondContact O-CB 3.42Å; S61-W65 PolarHBondContact O-N 2.84Å; S61-W65 VanDerWaalsContact O-N 3.12Å
62	F	79.3	Confident	73.5	Confident	115 Å²	115	97.2 Å²	97.2	50%	0.504	49%	0.492	S	S	.	.	H	α-helix	trans	-67.8	-46.6	175.8	178.6	-94.7	0	0	0	111.7	A58 L59 S64 W65 Q66	A58-F62 PolarHBondContact O-N 2.76Å; L59-F62 PolarHBondContact O-N 2.89Å; F62-S64 PolarHBondContact O-N 3.47Å; F62-W65 PolarHBondContact O-N 2.91Å; F62-Q66 PolarHBondContact O-N 3.48Å
63	L	78.9	Confident	75.1	Confident	96 Å²	96	93.9 Å²	93.9	50%	0.503	49%	0.487	S	S	.	.	H	α-helix	trans	-65.2	-38.7	179.9	-69.7	169.7	0	0	0	112.1	L59 Q66 Q67	L59-L63 WeakPolarHBondContact O-CB 3.45Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.47Å; L59-L63 PolarHBondContact O-N 3.27Å; L63-Q66 PolarHBondContact O-N 3.2Å; L63-Q67 WeakPolarHBondContact O-CB 3.46Å; L63-Q67 PolarHBondContact O-N 3.21Å
64	S	78.1	Confident	76.8	Confident	68 Å²	68	93.1 Å²	93.1	48%	0.476	49%	0.486	S	S	.	.	H	α-helix	trans	-69.6	-32.9	174.9	68.4	0	0	0	0	112.8	V60 S61 F62 S68	V60-S64 WeakPolarHBondContact O-CB 3.33Å; V60-S64 PolarHBondContact O-N 3.47Å; V60-S64 PolarHBondContact O-OG 2.72Å; S61-S64 PolarHBondContact O-OG 2.94Å; F62-S64 PolarHBondContact O-N 3.47Å; S64-S68 WeakPolarHBondContact O-CB 3.38Å; S64-S68 PolarHBondContact O-N 3.02Å
65	W	87.6	Confident	78.1	Confident	159 Å²	159	92.5 Å²	92.5	60%	0.602	48%	0.482	S	S	*	.	H	α-helix	trans	-66.8	-42.9	171.4	178.1	89.1	0	0	0	111.9	S61 F62 S68 A69	S61-W65 WeakPolarHBondContact O-CB 3.42Å; S61-W65 PolarHBondContact O-N 2.84Å; S61-W65 VanDerWaalsContact O-N 3.12Å; F62-W65 PolarHBondContact O-N 2.91Å; W65-S68 PolarHBondContact O-N 3.29Å; W65-A69 PolarHBondContact O-N 2.91Å
66	Q	79.5	Confident	79.4	Confident	72 Å²	72	93 Å²	93	34%	0.336	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-51.9	177	-178	-175.8	-24.7	0	0	111.1	F62 L63 S68 A69 E70	F62-Q66 PolarHBondContact O-N 3.48Å; L63-Q66 PolarHBondContact O-N 3.2Å; Q66-S68 VanDerWaalsContact C-N 3.27Å; Q66-S68 PolarHBondContact O-N 3.39Å; Q66-A69 WeakPolarHBondContact O-CA 3.36Å; Q66-A69 WeakPolarHBondContact O-CB 3.39Å; Q66-A69 PolarHBondContact O-N 3.44Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.41Å; Q66-E70 PolarHBondContact NE2-OE1 3.11Å; Q66-E70 PolarHBondContact O-N 2.78Å
67	Q	80.1	Confident	80.1	Confident	110 Å²	110	94.6 Å²	94.6	51%	0.514	49%	0.49	S	S	.	.	H	α-helix	trans	-55.4	-44.9	176.1	-177.2	-174.6	-23.3	0	0	110.9	L63 A69 E70 E71	L63-Q67 WeakPolarHBondContact O-CB 3.46Å; L63-Q67 PolarHBondContact O-N 3.21Å; Q67-A69 PolarHBondContact O-N 2.86Å; Q67-E70 PolarHBondContact O-N 2.92Å; Q67-E71 HydrophobicContact CG-CG 4.45Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.41Å; Q67-E71 PolarHBondContact NE2-OE1 2.94Å; Q67-E71 WeakPolarHBondContact O-CB 3.35Å; Q67-E71 WeakPolarHBondContact O-CG 3.47Å; Q67-E71 PolarHBondContact O-N 3.39Å
68	S	83.2	Confident	81	Confident	42 Å²	42	93.9 Å²	93.9	29%	0.294	49%	0.488	S	S	.	.	H	α-helix	trans	-65.8	-23.8	177.2	-169.6	0	0	0	0	113.3	S64 W65 Q66 R72	S64-S68 WeakPolarHBondContact O-CB 3.38Å; S64-S68 PolarHBondContact O-N 3.02Å; W65-S68 PolarHBondContact O-N 3.29Å; Q66-S68 VanDerWaalsContact C-N 3.27Å; Q66-S68 PolarHBondContact O-N 3.39Å; S68-R72 WeakPolarHBondContact O-CG 3.39Å; S68-R72 PolarHBondContact O-N 3.41Å; S68-R72 PolarHBondContact O-NE 2.99Å; S68-R72 PolarHBondContact O-NH1 2.9Å; S68-R72 VanDerWaalsContact O-NH1 3.07Å; S68-R72 PolarHBondContact O-NH2 3.34Å; S68-R72 PolarHBondContact OG-NH1 3.49Å
69	A	79.3	Confident	81.9	Confident	32 Å²	32	93 Å²	93	26%	0.264	48%	0.481	S	S	.	.	H	α-helix	trans	-79	-39.2	172.8	0	0	0	0	0	112.1	W65 Q66 Q67 R72 L73	W65-A69 PolarHBondContact O-N 2.91Å; Q66-A69 WeakPolarHBondContact O-CA 3.36Å; Q66-A69 WeakPolarHBondContact O-CB 3.39Å; Q66-A69 PolarHBondContact O-N 3.44Å; Q67-A69 PolarHBondContact O-N 2.86Å; A69-R72 PolarHBondContact O-N 2.89Å; A69-L73 PolarHBondContact O-N 2.92Å
70	E	82.4	Confident	83	Confident	98 Å²	98	95.3 Å²	95.3	46%	0.458	48%	0.484	S	S	.	.	H	α-helix	trans	-65.3	-44.5	174.6	-69.5	167.4	-171.4	0	0	111.1	Q66 Q67 R72 L73 L74	Q66-E70 WeakPolarHBondContact CG-OE1 3.41Å; Q66-E70 PolarHBondContact NE2-OE1 3.11Å; Q66-E70 PolarHBondContact O-N 2.78Å; Q67-E70 PolarHBondContact O-N 2.92Å; E70-R72 VanDerWaalsContact C-N 3.33Å; E70-R72 PolarHBondContact O-N 3.05Å; E70-L73 WeakPolarHBondContact O-CB 3.24Å; E70-L73 PolarHBondContact O-N 3.17Å; E70-L73 VanDerWaalsContact O-N 3.11Å; E70-L74 WeakPolarHBondContact O-CG 3.49Å; E70-L74 PolarHBondContact O-N 3.3Å
71	E	86.4	Confident	83.3	Confident	102 Å²	102	96 Å²	96	48%	0.477	48%	0.483	S	S	.	.	H	α-helix	trans	-59.2	-39.7	172.8	-72.7	168.9	-179.4	0	0	112.4	Q67 S75	Q67-E71 HydrophobicContact CG-CG 4.45Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.41Å; Q67-E71 PolarHBondContact NE2-OE1 2.94Å; Q67-E71 WeakPolarHBondContact O-CB 3.35Å; Q67-E71 WeakPolarHBondContact O-CG 3.47Å; Q67-E71 PolarHBondContact O-N 3.39Å; E71-S75 WeakPolarHBondContact O-CB 3.49Å; E71-S75 PolarHBondContact O-N 2.93Å
72	R	83.9	Confident	84	Confident	127 Å²	127	98.2 Å²	98.2	48%	0.479	49%	0.485	S	S	.	.	H	α-helix	trans	-66.9	-36.3	173.7	-82.3	-173.1	-64.3	-82.9	-4.2	112.8	S68 A69 E70 L76	S68-R72 WeakPolarHBondContact O-CG 3.39Å; S68-R72 PolarHBondContact O-N 3.41Å; S68-R72 PolarHBondContact O-NE 2.99Å; S68-R72 PolarHBondContact O-NH1 2.9Å; S68-R72 VanDerWaalsContact O-NH1 3.07Å; S68-R72 PolarHBondContact O-NH2 3.34Å; S68-R72 PolarHBondContact OG-NH1 3.49Å; A69-R72 PolarHBondContact O-N 2.89Å; E70-R72 VanDerWaalsContact C-N 3.33Å; E70-R72 PolarHBondContact O-N 3.05Å; R72-L76 VanDerWaalsContact O-CG 3.3Å; R72-L76 WeakPolarHBondContact O-CG 3.46Å; R72-L76 PolarHBondContact O-N 3.22Å
73	L	81.9	Confident	84.4	Confident	107 Å²	107	100.1 Å²	100.1	56%	0.56	49%	0.489	S	S	*	.	H	α-helix	trans	-68.4	-49.1	178.7	-171.2	70.5	0	0	0	110.5	A69 E70 S75 L76 E77	A69-L73 PolarHBondContact O-N 2.92Å; E70-L73 WeakPolarHBondContact O-CB 3.24Å; E70-L73 PolarHBondContact O-N 3.17Å; E70-L73 VanDerWaalsContact O-N 3.11Å; L73-S75 PolarHBondContact O-N 2.95Å; L73-L76 WeakPolarHBondContact O-CB 3.41Å; L73-L76 PolarHBondContact O-N 3.39Å; L73-L76 VanDerWaalsContact O-N 3.09Å; L73-E77 PolarHBondContact O-N 2.71Å
74	L	85	Confident	84.8	Confident	103 Å²	103	99.6 Å²	99.6	54%	0.539	48%	0.484	S	S	.	.	H	α-helix	trans	-56.7	-47.6	176.4	-71.9	166.1	0	0	0	111.5	E70 L76 E77 E78	E70-L74 WeakPolarHBondContact O-CG 3.49Å; E70-L74 PolarHBondContact O-N 3.3Å; L74-L76 VanDerWaalsContact C-N 3.26Å; L74-L76 PolarHBondContact O-N 2.87Å; L74-E77 PolarHBondContact O-N 2.93Å; L74-E78 WeakPolarHBondContact O-CG 3.48Å; L74-E78 PolarHBondContact O-N 2.68Å
75	S	86.4	Confident	85.2	Confident	67 Å²	67	103.3 Å²	103.3	47%	0.469	49%	0.492	S	S	.	.	H	α-helix	trans	-62	-31.1	177.6	-175.3	0	0	0	0	113.3	E71 L73 A79	E71-S75 WeakPolarHBondContact O-CB 3.49Å; E71-S75 PolarHBondContact O-N 2.93Å; L73-S75 PolarHBondContact O-N 2.95Å; S75-A79 WeakPolarHBondContact O-CB 3.44Å; S75-A79 PolarHBondContact O-N 3.31Å
76	L	84.7	Confident	85.3	Confident	116 Å²	116	99.5 Å²	99.5	61%	0.607	48%	0.481	S	S	*	.	H	α-helix	trans	-73.9	-31.8	173.7	-75.2	168.4	0	0	0	112.9	R72 L73 L74 R80	R72-L76 VanDerWaalsContact O-CG 3.3Å; R72-L76 WeakPolarHBondContact O-CG 3.46Å; R72-L76 PolarHBondContact O-N 3.22Å; L73-L76 WeakPolarHBondContact O-CB 3.41Å; L73-L76 PolarHBondContact O-N 3.39Å; L73-L76 VanDerWaalsContact O-N 3.09Å; L74-L76 VanDerWaalsContact C-N 3.26Å; L74-L76 PolarHBondContact O-N 2.87Å; L76-R80 WeakPolarHBondContact O-CB 3.42Å; L76-R80 PolarHBondContact O-N 2.72Å; L76-R80 VanDerWaalsContact O-N 3.1Å
77	E	82.9	Confident	85.7	Confident	104 Å²	104	98.3 Å²	98.3	49%	0.486	48%	0.484	S	S	.	.	H	α-helix	trans	-76	-43	174.7	-67.6	-165.3	140.9	0	0	112.1	L73 L74 A79 R80 L81	L73-E77 PolarHBondContact O-N 2.71Å; L74-E77 PolarHBondContact O-N 2.93Å; E77-A79 PolarHBondContact O-N 2.76Å; E77-R80 WeakPolarHBondContact O-CA 3.36Å; E77-R80 WeakPolarHBondContact O-CB 3.48Å; E77-R80 PolarHBondContact O-N 3.16Å; E77-L81 WeakPolarHBondContact O-CG 3.35Å; E77-L81 PolarHBondContact O-N 3.16Å
78	E	88.5	Confident	86	Confident	132 Å²	132	98.8 Å²	98.8	62%	0.617	49%	0.486	S	S	*	.	H	α-helix	trans	-55.7	-52.2	170	-71.2	177.3	153.5	0	0	110.7	L74 R80 L81 E82	L74-E78 WeakPolarHBondContact O-CG 3.48Å; L74-E78 PolarHBondContact O-N 2.68Å; E78-R80 PolarHBondContact O-N 3.03Å; E78-R80 VanDerWaalsContact O-N 3.11Å; E78-L81 PolarHBondContact O-N 3.28Å; E78-E82 PolarHBondContact O-N 3.18Å
79	A	87.7	Confident	86.3	Confident	39 Å²	39	101 Å²	101	32%	0.322	49%	0.491	S	S	.	.	H	α-helix	trans	-66.2	-12.4	176.8	0	0	0	0	0	113.2	S75 E77 R83	S75-A79 WeakPolarHBondContact O-CB 3.44Å; S75-A79 PolarHBondContact O-N 3.31Å; E77-A79 PolarHBondContact O-N 2.76Å; A79-R83 VanDerWaalsContact O-CZ 3.24Å; A79-R83 PolarHBondContact O-NE 3.16Å; A79-R83 PolarHBondContact O-NH2 3.21Å
80	R	91.9	Very high	86.9	Confident	138 Å²	138	105 Å²	105	52%	0.521	50%	0.5	S	S	.	.	H	α-helix	trans	-85.3	-50.3	169.5	176.3	-175	165.7	-144	-20.3	110.5	L76 E77 E78 E82 R83 E84	L76-R80 WeakPolarHBondContact O-CB 3.42Å; L76-R80 PolarHBondContact O-N 2.72Å; L76-R80 VanDerWaalsContact O-N 3.1Å; E77-R80 WeakPolarHBondContact O-CA 3.36Å; E77-R80 WeakPolarHBondContact O-CB 3.48Å; E77-R80 PolarHBondContact O-N 3.16Å; E78-R80 PolarHBondContact O-N 3.03Å; E78-R80 VanDerWaalsContact O-N 3.11Å; R80-E82 VanDerWaalsContact C-N 3.29Å; R80-E82 PolarHBondContact O-N 2.97Å; R80-R83 WeakPolarHBondContact O-CB 3.24Å; R80-R83 PolarHBondContact O-N 2.95Å; R80-E84 IonicContact CZ-OE1 3.73Å; R80-E84 IonicContact NE-OE1 3.61Å; R80-E84 PolarHBondContact NE-OE1 3.1Å; R80-E84 IonicContact NE-OE2 3.25Å; R80-E84 IonicContact NH2-OE1 2.61Å; R80-E84 PolarHBondContact NH2-OE1 2.99Å; R80-E84 IonicContact NH2-OE2 2.73Å; R80-E84 PolarHBondContact NH2-OE2 3.43Å; R80-E84 PolarHBondContact O-N 2.93Å
81	L	85.8	Confident	87.3	Confident	113 Å²	113	106.5 Å²	106.5	59%	0.592	50%	0.501	S	S	*	.	H	α-helix	trans	-57.4	-41.4	178.9	-71.4	168.6	0	0	0	111.6	E77 E78 R83 E84 F85	E77-L81 WeakPolarHBondContact O-CG 3.35Å; E77-L81 PolarHBondContact O-N 3.16Å; E78-L81 PolarHBondContact O-N 3.28Å; L81-R83 VanDerWaalsContact C-N 3.32Å; L81-R83 PolarHBondContact O-N 3.44Å; L81-E84 PolarHBondContact O-N 3.39Å; L81-F85 WeakPolarHBondContact O-CB 3.14Å; L81-F85 PolarHBondContact O-N 3.36Å
82	E	89.8	Confident	87.4	Confident	122 Å²	122	107.8 Å²	107.8	57%	0.57	51%	0.507	S	S	*	.	H	α-helix	trans	-65	-34.4	176.5	-167.9	178.1	-153.3	0	0	112.5	E78 R80 Q86	E78-E82 PolarHBondContact O-N 3.18Å; R80-E82 VanDerWaalsContact C-N 3.29Å; R80-E82 PolarHBondContact O-N 2.97Å; E82-Q86 WeakPolarHBondContact O-CB 3.34Å; E82-Q86 VanDerWaalsContact O-CG 3.25Å; E82-Q86 WeakPolarHBondContact O-CG 3.33Å; E82-Q86 PolarHBondContact O-N 3.44Å
83	R	89.3	Confident	87.7	Confident	155 Å²	155	105.3 Å²	105.3	59%	0.585	50%	0.501	S	S	*	.	H	α-helix	trans	-70.7	-35.1	173.6	-87.8	178.6	-73.9	161.1	1.3	112.7	A79 R80 L81 A87	A79-R83 VanDerWaalsContact O-CZ 3.24Å; A79-R83 PolarHBondContact O-NE 3.16Å; A79-R83 PolarHBondContact O-NH2 3.21Å; R80-R83 WeakPolarHBondContact O-CB 3.24Å; R80-R83 PolarHBondContact O-N 2.95Å; L81-R83 VanDerWaalsContact C-N 3.32Å; L81-R83 PolarHBondContact O-N 3.44Å; R83-A87 WeakPolarHBondContact O-CB 3.27Å; R83-A87 PolarHBondContact O-N 3.01Å; R83-A87 VanDerWaalsContact O-N 3.11Å
84	E	85.8	Confident	87.9	Confident	85 Å²	85	107.8 Å²	107.8	40%	0.397	50%	0.503	S	S	.	.	H	α-helix	trans	-70	-46.8	175.2	-71.4	175.8	-179.6	0	0	110.4	R80 L81 Q86 A87 E88	R80-E84 IonicContact CZ-OE1 3.73Å; R80-E84 IonicContact NE-OE1 3.61Å; R80-E84 PolarHBondContact NE-OE1 3.1Å; R80-E84 IonicContact NE-OE2 3.25Å; R80-E84 IonicContact NH2-OE1 2.61Å; R80-E84 PolarHBondContact NH2-OE1 2.99Å; R80-E84 IonicContact NH2-OE2 2.73Å; R80-E84 PolarHBondContact NH2-OE2 3.43Å; R80-E84 PolarHBondContact O-N 2.93Å; L81-E84 PolarHBondContact O-N 3.39Å; E84-Q86 PolarHBondContact O-N 2.9Å; E84-A87 WeakPolarHBondContact O-CA 3.48Å; E84-A87 WeakPolarHBondContact O-CB 3.36Å; E84-A87 PolarHBondContact O-N 2.94Å; E84-E88 PolarHBondContact O-N 3.21Å
85	F	87.8	Confident	88	Confident	146 Å²	146	107 Å²	107	64%	0.64	50%	0.496	S	S	*	.	H	α-helix	trans	-56.8	-49.6	173.6	-177.6	-101.6	0	0	0	112.5	L81 A87 E88 E89	L81-F85 WeakPolarHBondContact O-CB 3.14Å; L81-F85 PolarHBondContact O-N 3.36Å; F85-A87 PolarHBondContact O-N 2.93Å; F85-E88 PolarHBondContact O-N 2.66Å; F85-E88 VanDerWaalsContact O-N 3.13Å; F85-E89 PolarHBondContact O-N 3.12Å
86	Q	88.6	Confident	88.2	Confident	79 Å²	79	109.8 Å²	109.8	37%	0.369	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-27.5	174.3	-72.7	175.7	19.2	0	0	112.6	E82 E84 R90	E82-Q86 WeakPolarHBondContact O-CB 3.34Å; E82-Q86 VanDerWaalsContact O-CG 3.25Å; E82-Q86 WeakPolarHBondContact O-CG 3.33Å; E82-Q86 PolarHBondContact O-N 3.44Å; E84-Q86 PolarHBondContact O-N 2.9Å; Q86-R90 WeakPolarHBondContact O-CB 3.48Å; Q86-R90 VanDerWaalsContact O-CG 3.29Å; Q86-R90 WeakPolarHBondContact O-CG 3.23Å; Q86-R90 PolarHBondContact O-N 3.37Å; Q86-R90 PolarHBondContact O-NE 2.86Å; Q86-R90 PolarHBondContact O-NH2 3.35Å
87	A	87.6	Confident	88.5	Confident	48 Å²	48	111.6 Å²	111.6	40%	0.397	50%	0.501	S	S	.	.	H	α-helix	trans	-73.6	-37	174.8	0	0	0	0	0	112.1	R83 E84 F85 R91	R83-A87 WeakPolarHBondContact O-CB 3.27Å; R83-A87 PolarHBondContact O-N 3.01Å; R83-A87 VanDerWaalsContact O-N 3.11Å; E84-A87 WeakPolarHBondContact O-CA 3.48Å; E84-A87 WeakPolarHBondContact O-CB 3.36Å; E84-A87 PolarHBondContact O-N 2.94Å; F85-A87 PolarHBondContact O-N 2.93Å; A87-R91 PolarHBondContact O-N 3.12Å; A87-R91 VanDerWaalsContact O-N 3.11Å
88	E	87.1	Confident	88.8	Confident	119 Å²	119	114 Å²	114	56%	0.556	51%	0.505	S	S	*	.	H	α-helix	trans	-68.5	-47	176.1	-165.3	121.4	-108.3	0	0	112	E84 F85 R90 R91 E92	E84-E88 PolarHBondContact O-N 3.21Å; F85-E88 PolarHBondContact O-N 2.66Å; F85-E88 VanDerWaalsContact O-N 3.13Å; E88-R90 VanDerWaalsContact C-N 3.31Å; E88-R90 PolarHBondContact O-N 3.05Å; E88-R91 CarbonylContact O-C 3.57Å; E88-R91 WeakPolarHBondContact O-CA 3.49Å; E88-R91 VanDerWaalsContact O-CB 3.25Å; E88-R91 WeakPolarHBondContact O-CB 3.31Å; E88-R91 PolarHBondContact O-N 3.1Å; E88-E92 PolarHBondContact O-N 3.31Å
89	E	90.6	Very high	88.7	Confident	88 Å²	88	110 Å²	110	41%	0.411	50%	0.495	S	S	.	.	H	α-helix	trans	-57.4	-43.9	174.2	-169.7	-161.3	-178.1	0	0	111.3	F85 R91 E92 Q93	F85-E89 PolarHBondContact O-N 3.12Å; E89-R91 PolarHBondContact O-N 3.37Å; E89-E92 PolarHBondContact O-N 3.47Å; E89-Q93 WeakPolarHBondContact O-CB 3.45Å; E89-Q93 VanDerWaalsContact O-CG 3.28Å; E89-Q93 WeakPolarHBondContact O-CG 3.22Å; E89-Q93 PolarHBondContact O-N 2.98Å; E89-Q93 PolarHBondContact OE1-NE2 3.41Å
90	R	91.6	Very high	88.9	Confident	118 Å²	118	112 Å²	112	45%	0.445	50%	0.498	S	S	.	.	H	α-helix	trans	-70.4	-9.5	174	-72.1	177.1	-62.7	-166.7	-6.4	113.6	Q86 E88 R94	Q86-R90 WeakPolarHBondContact O-CB 3.48Å; Q86-R90 VanDerWaalsContact O-CG 3.29Å; Q86-R90 WeakPolarHBondContact O-CG 3.23Å; Q86-R90 PolarHBondContact O-N 3.37Å; Q86-R90 PolarHBondContact O-NE 2.86Å; Q86-R90 PolarHBondContact O-NH2 3.35Å; E88-R90 VanDerWaalsContact C-N 3.31Å; E88-R90 PolarHBondContact O-N 3.05Å; R90-R94 WeakPolarHBondContact O-CD 3.35Å; R90-R94 VanDerWaalsContact O-CG 3.22Å; R90-R94 WeakPolarHBondContact O-CG 3.14Å; R90-R94 PolarHBondContact O-NE 2.88Å; R90-R94 PolarHBondContact O-NH1 3.15Å
91	R	90.4	Very high	88.7	Confident	129 Å²	129	112.6 Å²	112.6	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-89.3	-48.9	170.8	179.4	-174.3	166.3	-143	-19.7	109.9	A87 E88 E89 Q93 R94 E95	A87-R91 PolarHBondContact O-N 3.12Å; A87-R91 VanDerWaalsContact O-N 3.11Å; E88-R91 CarbonylContact O-C 3.57Å; E88-R91 WeakPolarHBondContact O-CA 3.49Å; E88-R91 VanDerWaalsContact O-CB 3.25Å; E88-R91 WeakPolarHBondContact O-CB 3.31Å; E88-R91 PolarHBondContact O-N 3.1Å; E89-R91 PolarHBondContact O-N 3.37Å; R91-Q93 PolarHBondContact O-N 3.13Å; R91-R94 WeakPolarHBondContact O-CA 3.33Å; R91-R94 WeakPolarHBondContact O-CB 3.47Å; R91-R94 PolarHBondContact O-N 3.37Å; R91-E95 IonicContact CZ-OE1 2.73Å; R91-E95 VanDerWaalsContact CZ-OE1 3.27Å; R91-E95 IonicContact NE-OE1 2.7Å; R91-E95 PolarHBondContact NE-OE1 3.04Å; R91-E95 IonicContact NH2-OE1 3.61Å; R91-E95 PolarHBondContact NH2-OE1 3.44Å; R91-E95 IonicContact NH2-OE2 3.15Å; R91-E95 PolarHBondContact NH2-OE2 2.99Å; R91-E95 PolarHBondContact O-N 2.88Å
92	E	88.3	Confident	88.7	Confident	128 Å²	128	112.4 Å²	112.4	60%	0.598	50%	0.5	S	S	*	.	H	α-helix	trans	-54.8	-51.4	175.7	-172.7	168	-142.2	0	0	111.1	E88 E89 R94 E95 E96	E88-E92 PolarHBondContact O-N 3.31Å; E89-E92 PolarHBondContact O-N 3.47Å; E92-R94 PolarHBondContact O-N 2.77Å; E92-E95 PolarHBondContact O-N 2.79Å; E92-E96 PolarHBondContact O-N 3.19Å
93	Q	89.7	Confident	88.8	Confident	76 Å²	76	113.6 Å²	113.6	36%	0.355	50%	0.499	S	S	.	.	H	α-helix	trans	-59	-14.8	173.7	-69.1	176.5	13.6	0	0	114.4	E89 R91 R97	E89-Q93 WeakPolarHBondContact O-CB 3.45Å; E89-Q93 VanDerWaalsContact O-CG 3.28Å; E89-Q93 WeakPolarHBondContact O-CG 3.22Å; E89-Q93 PolarHBondContact O-N 2.98Å; E89-Q93 PolarHBondContact OE1-NE2 3.41Å; R91-Q93 PolarHBondContact O-N 3.13Å; Q93-R97 PolarHBondContact O-NE 3.43Å; Q93-R97 PolarHBondContact O-NH2 3.31Å
94	R	86.7	Confident	88.7	Confident	158 Å²	158	111.5 Å²	111.5	60%	0.596	50%	0.496	S	S	*	.	H	α-helix	trans	-93.5	-31.4	173	-71.3	171	-179.7	131.6	-13.5	111.9	R90 R91 E92 R98	R90-R94 WeakPolarHBondContact O-CD 3.35Å; R90-R94 VanDerWaalsContact O-CG 3.22Å; R90-R94 WeakPolarHBondContact O-CG 3.14Å; R90-R94 PolarHBondContact O-NE 2.88Å; R90-R94 PolarHBondContact O-NH1 3.15Å; R91-R94 WeakPolarHBondContact O-CA 3.33Å; R91-R94 WeakPolarHBondContact O-CB 3.47Å; R91-R94 PolarHBondContact O-N 3.37Å; E92-R94 PolarHBondContact O-N 2.77Å; R94-R98 PolarHBondContact O-N 3.16Å; R94-R98 VanDerWaalsContact O-N 3.16Å
95	E	87.2	Confident	88.8	Confident	86 Å²	86	113 Å²	113	40%	0.402	50%	0.503	S	S	.	.	H	α-helix	trans	-74.6	-40.8	176.9	-68.7	179.2	-170.2	0	0	110.2	R91 E92 R97 R98 A99	R91-E95 IonicContact CZ-OE1 2.73Å; R91-E95 VanDerWaalsContact CZ-OE1 3.27Å; R91-E95 IonicContact NE-OE1 2.7Å; R91-E95 PolarHBondContact NE-OE1 3.04Å; R91-E95 IonicContact NH2-OE1 3.61Å; R91-E95 PolarHBondContact NH2-OE1 3.44Å; R91-E95 IonicContact NH2-OE2 3.15Å; R91-E95 PolarHBondContact NH2-OE2 2.99Å; R91-E95 PolarHBondContact O-N 2.88Å; E92-E95 PolarHBondContact O-N 2.79Å; E95-R97 PolarHBondContact O-N 3.09Å; E95-R98 WeakPolarHBondContact O-CA 3.26Å; E95-R98 WeakPolarHBondContact O-CB 3.18Å; E95-R98 PolarHBondContact O-N 3.16Å; E95-A99 PolarHBondContact O-N 3.13Å
96	E	90.6	Very high	88.8	Confident	127 Å²	127	112.1 Å²	112.1	59%	0.593	50%	0.501	S	S	*	.	H	α-helix	trans	-55.4	-49.4	167.6	-70.2	-170.3	124.2	0	0	112.6	E92 R98 A99 E100	E92-E96 PolarHBondContact O-N 3.19Å; E96-R98 PolarHBondContact O-N 3.49Å; E96-R98 VanDerWaalsContact O-N 3.16Å; E96-A99 PolarHBondContact O-N 3.38Å; E96-E100 PolarHBondContact O-N 3.21Å
97	R	91	Very high	88.7	Confident	153 Å²	153	113.8 Å²	113.8	58%	0.577	51%	0.512	S	S	*	.	H	α-helix	trans	-68.3	-9.1	177.5	-82.8	-176.8	-67.9	-177.5	-9.9	113.9	Q93 E95 K101	Q93-R97 PolarHBondContact O-NE 3.43Å; Q93-R97 PolarHBondContact O-NH2 3.31Å; E95-R97 PolarHBondContact O-N 3.09Å; R97-K101 WeakPolarHBondContact O-CD 3.22Å; R97-K101 WeakPolarHBondContact O-CG 3.19Å
98	R	88.8	Confident	88.7	Confident	154 Å²	154	117 Å²	117	58%	0.581	52%	0.519	S	S	*	.	H	α-helix	trans	-87.5	-52	166.6	-172.1	-172.8	-62.2	169	2.5	109.9	R94 E95 E96 E100 K101 E102	R94-R98 PolarHBondContact O-N 3.16Å; R94-R98 VanDerWaalsContact O-N 3.16Å; E95-R98 WeakPolarHBondContact O-CA 3.26Å; E95-R98 WeakPolarHBondContact O-CB 3.18Å; E95-R98 PolarHBondContact O-N 3.16Å; E96-R98 PolarHBondContact O-N 3.49Å; E96-R98 VanDerWaalsContact O-N 3.16Å; R98-E100 VanDerWaalsContact C-N 3.32Å; R98-E100 PolarHBondContact O-N 3.12Å; R98-K101 WeakPolarHBondContact O-CA 3.34Å; R98-K101 WeakPolarHBondContact O-CB 3.18Å; R98-K101 PolarHBondContact O-N 3.02Å; R98-E102 WeakPolarHBondContact CD-OE1 3.42Å; R98-E102 HydrophobicContact CG-CG 4.48Å; R98-E102 VanDerWaalsContact CG-OE1 3.24Å; R98-E102 WeakPolarHBondContact CG-OE1 3.35Å; R98-E102 PolarHBondContact O-N 2.97Å
99	A	86.4	Confident	88.5	Confident	48 Å²	48	115.2 Å²	115.2	40%	0.397	51%	0.512	S	S	.	.	H	α-helix	trans	-56.8	-40.9	-179.7	0	0	0	0	0	113	E95 E96 E102 R103	E95-A99 PolarHBondContact O-N 3.13Å; E96-A99 PolarHBondContact O-N 3.38Å; A99-E102 PolarHBondContact O-N 3.07Å; A99-R103 WeakPolarHBondContact O-CB 3.43Å; A99-R103 WeakPolarHBondContact O-CG 3.25Å; A99-R103 PolarHBondContact O-N 3.48Å
100	E	91.5	Very high	88.3	Confident	81 Å²	81	117.7 Å²	117.7	38%	0.379	52%	0.522	S	S	.	.	H	α-helix	trans	-71.2	-29.7	176.5	178.6	53.5	-161.2	0	0	112.6	E96 R98 R103 Q104	E96-E100 PolarHBondContact O-N 3.21Å; R98-E100 VanDerWaalsContact C-N 3.32Å; R98-E100 PolarHBondContact O-N 3.12Å; E100-R103 IonicContact OE2-CZ 3.99Å; E100-R103 IonicContact OE2-NE 3.05Å; E100-R103 PolarHBondContact OE2-NE 3.46Å; E100-Q104 WeakPolarHBondContact O-CB 3.21Å; E100-Q104 VanDerWaalsContact O-CG 3.24Å; E100-Q104 WeakPolarHBondContact O-CG 3.47Å; E100-Q104 PolarHBondContact O-N 3.04Å; E100-Q104 WeakPolarHBondContact OE1-CG 3.46Å; E100-Q104 PolarHBondContact OE1-NE2 2.92Å
101	K	88.2	Confident	87.9	Confident	151 Å²	151	116.3 Å²	116.3	66%	0.657	53%	0.526	S	S	*	.	H	α-helix	trans	-70.6	-38.3	171	-75.8	-178.9	178.2	-175.3	0	112.1	R97 R98 Q104 H105	R97-K101 WeakPolarHBondContact O-CD 3.22Å; R97-K101 WeakPolarHBondContact O-CG 3.19Å; R98-K101 WeakPolarHBondContact O-CA 3.34Å; R98-K101 WeakPolarHBondContact O-CB 3.18Å; R98-K101 PolarHBondContact O-N 3.02Å; K101-Q104 PolarHBondContact O-N 3.03Å; K101-H105 WeakPolarHBondContact O-CB 3.32Å; K101-H105 PolarHBondContact O-N 2.9Å
102	E	86.7	Confident	87.4	Confident	109 Å²	109	115.7 Å²	115.7	51%	0.509	53%	0.53	S	S	.	.	H	α-helix	trans	-64.1	-47.1	175.1	-73.4	163.8	178.3	0	0	109.9	R98 A99 Q104 H105 E106	R98-E102 WeakPolarHBondContact CD-OE1 3.42Å; R98-E102 HydrophobicContact CG-CG 4.48Å; R98-E102 VanDerWaalsContact CG-OE1 3.24Å; R98-E102 WeakPolarHBondContact CG-OE1 3.35Å; R98-E102 PolarHBondContact O-N 2.97Å; A99-E102 PolarHBondContact O-N 3.07Å; E102-Q104 PolarHBondContact O-N 2.99Å; E102-H105 WeakPolarHBondContact O-CB 3.4Å; E102-H105 PolarHBondContact O-N 2.95Å; E102-H105 VanDerWaalsContact O-N 3.11Å; E102-E106 WeakPolarHBondContact O-CG 3.28Å; E102-E106 PolarHBondContact O-N 2.93Å
103	R	90.2	Very high	87	Confident	147 Å²	147	115 Å²	115	56%	0.555	53%	0.53	S	S	*	.	H	α-helix	trans	-56.7	-44.1	170.8	-80.2	176.7	42.2	65.4	7.1	113.9	A99 E100 H105 E106 L107	A99-R103 WeakPolarHBondContact O-CB 3.43Å; A99-R103 WeakPolarHBondContact O-CG 3.25Å; A99-R103 PolarHBondContact O-N 3.48Å; E100-R103 IonicContact OE2-CZ 3.99Å; E100-R103 IonicContact OE2-NE 3.05Å; E100-R103 PolarHBondContact OE2-NE 3.46Å; R103-H105 VanDerWaalsContact C-N 3.3Å; R103-H105 PolarHBondContact O-N 3.02Å; R103-E106 PolarHBondContact O-N 2.93Å; R103-L107 WeakPolarHBondContact O-CB 3.42Å; R103-L107 PolarHBondContact O-N 3.45Å
104	Q	88.3	Confident	86.5	Confident	112 Å²	112	114.4 Å²	114.4	52%	0.523	53%	0.532	S	S	.	.	H	α-helix	trans	-66	-34.5	176.9	-75.2	175.3	18.5	0	0	111.8	E100 K101 E102 H108	E100-Q104 WeakPolarHBondContact O-CB 3.21Å; E100-Q104 VanDerWaalsContact O-CG 3.24Å; E100-Q104 WeakPolarHBondContact O-CG 3.47Å; E100-Q104 PolarHBondContact O-N 3.04Å; E100-Q104 WeakPolarHBondContact OE1-CG 3.46Å; E100-Q104 PolarHBondContact OE1-NE2 2.92Å; K101-Q104 PolarHBondContact O-N 3.03Å; E102-Q104 PolarHBondContact O-N 2.99Å; Q104-H108 WeakPolarHBondContact O-CB 3.39Å; Q104-H108 PolarHBondContact O-N 2.96Å
105	H	88.6	Confident	85.9	Confident	116 Å²	116	108.8 Å²	108.8	54%	0.537	52%	0.523	S	S	.	.	H	α-helix	trans	-68.3	-45.7	174.1	-173.7	61.8	0	0	0	111.9	K101 E102 R103 L107 H108 L109	K101-H105 WeakPolarHBondContact O-CB 3.32Å; K101-H105 PolarHBondContact O-N 2.9Å; E102-H105 WeakPolarHBondContact O-CB 3.4Å; E102-H105 PolarHBondContact O-N 2.95Å; E102-H105 VanDerWaalsContact O-N 3.11Å; R103-H105 VanDerWaalsContact C-N 3.3Å; R103-H105 PolarHBondContact O-N 3.02Å; H105-L107 PolarHBondContact O-N 2.88Å; H105-H108 WeakPolarHBondContact O-CB 3.4Å; H105-H108 PolarHBondContact O-N 3.26Å; H105-L109 WeakPolarHBondContact O-CG 3.43Å; H105-L109 PolarHBondContact O-N 3.24Å
106	E	86.9	Confident	85.1	Confident	128 Å²	128	107.3 Å²	107.3	60%	0.598	53%	0.526	S	S	*	.	H	α-helix	trans	-58.1	-45.9	173	-72	-176.1	150	0	0	112	E102 R103 H108 L109 F110	E102-E106 WeakPolarHBondContact O-CG 3.28Å; E102-E106 PolarHBondContact O-N 2.93Å; R103-E106 PolarHBondContact O-N 2.93Å; E106-H108 VanDerWaalsContact C-N 3.28Å; E106-H108 PolarHBondContact O-N 2.89Å; E106-L109 PolarHBondContact O-N 3.38Å; E106-F110 WeakPolarHBondContact O-CB 2.78Å; E106-F110 PolarHBondContact O-N 3.39Å
107	L	87.6	Confident	84	Confident	114 Å²	114	106.9 Å²	106.9	60%	0.597	53%	0.527	S	S	*	.	H	α-helix	trans	-63	-36.9	178	-170.1	68.9	0	0	0	111.4	R103 H105 T111	R103-L107 WeakPolarHBondContact O-CB 3.42Å; R103-L107 PolarHBondContact O-N 3.45Å; H105-L107 PolarHBondContact O-N 2.88Å; L107-T111 WeakPolarHBondContact O-CB 3.28Å; L107-T111 PolarHBondContact O-N 2.89Å; L107-T111 PolarHBondContact O-OG1 2.94Å
108	H	86.1	Confident	82.9	Confident	116 Å²	116	106 Å²	106	54%	0.537	53%	0.528	S	S	.	.	H	α-helix	trans	-67	-46.6	175.2	-166.6	87.6	0	0	0	111.8	Q104 H105 E106 F110 T111 M112	Q104-H108 WeakPolarHBondContact O-CB 3.39Å; Q104-H108 PolarHBondContact O-N 2.96Å; H105-H108 WeakPolarHBondContact O-CB 3.4Å; H105-H108 PolarHBondContact O-N 3.26Å; E106-H108 VanDerWaalsContact C-N 3.28Å; E106-H108 PolarHBondContact O-N 2.89Å; H108-F110 PolarHBondContact O-N 2.98Å; H108-T111 WeakPolarHBondContact O-CB 3.37Å; H108-T111 PolarHBondContact O-N 3.45Å; H108-M112 WeakPolarHBondContact O-CG 3.41Å; H108-M112 PolarHBondContact O-N 3.19Å
109	L	83.4	Confident	81.8	Confident	80 Å²	80	101.7 Å²	101.7	42%	0.419	53%	0.525	S	S	.	.	H	α-helix	trans	-59.5	-43.8	174.7	-72.7	172.4	0	0	0	111.9	H105 E106 T111 M112 L113	H105-L109 WeakPolarHBondContact O-CG 3.43Å; H105-L109 PolarHBondContact O-N 3.24Å; E106-L109 PolarHBondContact O-N 3.38Å; L109-T111 VanDerWaalsContact C-N 3.32Å; L109-T111 PolarHBondContact O-N 2.89Å; L109-M112 PolarHBondContact O-N 2.94Å; L109-L113 WeakPolarHBondContact O-CB 3.45Å; L109-L113 PolarHBondContact O-N 3.21Å
110	F	85.8	Confident	80.5	Confident	141 Å²	141	104.6 Å²	104.6	62%	0.618	54%	0.538	S	S	*	.	H	α-helix	trans	-63.6	-38.2	176.1	-168.2	-90.8	0	0	0	112	E106 H108 T114	E106-F110 WeakPolarHBondContact O-CB 2.78Å; E106-F110 PolarHBondContact O-N 3.39Å; H108-F110 PolarHBondContact O-N 2.98Å; F110-T114 WeakPolarHBondContact O-CB 3.31Å; F110-T114 PolarHBondContact O-N 3.08Å; F110-T114 PolarHBondContact O-OG1 3.14Å
111	T	82.8	Confident	78.9	Confident	88 Å²	88	111 Å²	111	54%	0.54	56%	0.559	S	S	.	*	H	α-helix	trans	-65.5	-42.8	174.1	-57.3	0	0	0	0	111.4	L107 H108 L109 T114 G115	L107-T111 WeakPolarHBondContact O-CB 3.28Å; L107-T111 PolarHBondContact O-N 2.89Å; L107-T111 PolarHBondContact O-OG1 2.94Å; H108-T111 WeakPolarHBondContact O-CB 3.37Å; H108-T111 PolarHBondContact O-N 3.45Å; L109-T111 VanDerWaalsContact C-N 3.32Å; L109-T111 PolarHBondContact O-N 2.89Å; T111-T114 PolarHBondContact O-N 2.75Å; T111-G115 PolarHBondContact O-N 3.05Å
112	M	81.8	Confident	77.2	Confident	116 Å²	116	110.8 Å²	110.8	57%	0.571	56%	0.56	S	S	*	*	H	α-helix	trans	-62.5	-46	175.1	-71.2	-178.9	69.8	0	0	112.3	H108 L109 G115 A116	H108-M112 WeakPolarHBondContact O-CG 3.41Å; H108-M112 PolarHBondContact O-N 3.19Å; L109-M112 PolarHBondContact O-N 2.94Å; M112-G115 PolarHBondContact O-N 3.14Å; M112-A116 PolarHBondContact O-N 3Å
113	L	78.6	Confident	75.3	Confident	113 Å²	113	108.6 Å²	108.6	59%	0.592	57%	0.567	S	S	*	*	H	α-helix	trans	-60.4	-44.6	175.2	-89.5	158.9	0	0	0	111.8	L109 G115 A116 L117	L109-L113 WeakPolarHBondContact O-CB 3.45Å; L109-L113 PolarHBondContact O-N 3.21Å; L113-G115 VanDerWaalsContact C-N 3.34Å; L113-G115 PolarHBondContact O-N 2.9Å; L113-A116 PolarHBondContact O-N 3.38Å; L113-L117 WeakPolarHBondContact O-CB 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.34Å; L113-L117 PolarHBondContact O-N 2.87Å
114	T	79.2	Confident	73	Confident	64 Å²	64	105.8 Å²	105.8	39%	0.393	58%	0.575	S	S	.	*	H	α-helix	trans	-62.5	-41.5	176	-57.1	0	0	0	0	111.3	F110 T111 L117 F118	F110-T114 WeakPolarHBondContact O-CB 3.31Å; F110-T114 PolarHBondContact O-N 3.08Å; F110-T114 PolarHBondContact O-OG1 3.14Å; T111-T114 PolarHBondContact O-N 2.75Å; T114-L117 PolarHBondContact O-N 3.4Å; T114-F118 PolarHBondContact O-N 3.07Å
115	G	74.4	Confident	70.7	Confident	40 Å²	40	106.6 Å²	106.6	41%	0.412	59%	0.59	S	S	.	*	H	α-helix	trans	-62.2	-43.8	174.7	0	0	0	0	0	113.2	T111 M112 L113 F118 A119	T111-G115 PolarHBondContact O-N 3.05Å; M112-G115 PolarHBondContact O-N 3.14Å; L113-G115 VanDerWaalsContact C-N 3.34Å; L113-G115 PolarHBondContact O-N 2.9Å; G115-F118 PolarHBondContact O-N 3.39Å; G115-A119 WeakPolarHBondContact O-CB 3.46Å; G115-A119 PolarHBondContact O-N 3.02Å
116	A	70.1	Confident	68.2	Low	56 Å²	56	106 Å²	106	46%	0.463	61%	0.605	S	S	.	*	H	α-helix	trans	-64.4	-39.2	175.6	0	0	0	0	0	112.3	M112 L113 F118 A119 T120	M112-A116 PolarHBondContact O-N 3Å; L113-A116 PolarHBondContact O-N 3.38Å; A116-F118 VanDerWaalsContact C-N 3.3Å; A116-F118 PolarHBondContact O-N 3.42Å; A116-A119 PolarHBondContact O-N 3.12Å; A116-T120 WeakPolarHBondContact O-CB 3.43Å; A116-T120 WeakPolarHBondContact O-CG2 3.45Å; A116-T120 PolarHBondContact O-N 3.41Å; A116-T120 PolarHBondContact O-OG1 3.2Å
117	L	68.7	Low	65.7	Low	118 Å²	118	104.4 Å²	104.4	62%	0.618	61%	0.614	S	S	*	*	H	α-helix	trans	-66.8	-28.7	173.3	-74.5	167.2	0	0	0	112.7	L113 T114 T120 R121	L113-L117 WeakPolarHBondContact O-CB 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.34Å; L113-L117 PolarHBondContact O-N 2.87Å; T114-L117 PolarHBondContact O-N 3.4Å; L117-T120 WeakPolarHBondContact CA-OG1 3.4Å; L117-T120 PolarHBondContact O-OG1 3.42Å; L117-R121 WeakPolarHBondContact O-CB 3.49Å
118	F	67.8	Low	63	Low	133 Å²	133	105.7 Å²	105.7	58%	0.583	63%	0.627	S	S	*	*	H	α-helix	trans	-77.4	-43	174.2	-135.1	-95.7	0	0	0	111.8	T114 G115 A116 R121 Q122	T114-F118 PolarHBondContact O-N 3.07Å; G115-F118 PolarHBondContact O-N 3.39Å; A116-F118 VanDerWaalsContact C-N 3.3Å; A116-F118 PolarHBondContact O-N 3.42Å; F118-R121 PolarHBondContact O-N 2.86Å; F118-R121 VanDerWaalsContact O-N 3.16Å; F118-Q122 PolarHBondContact O-N 2.85Å
119	A	64	Low	61.4	Low	64 Å²	64	105.5 Å²	105.5	53%	0.529	64%	0.636	S	S	.	*	H	α-helix	trans	-63	-45.2	178.1	0	0	0	0	0	112.2	G115 A116 R121 Q122 G123	G115-A119 WeakPolarHBondContact O-CB 3.46Å; G115-A119 PolarHBondContact O-N 3.02Å; A116-A119 PolarHBondContact O-N 3.12Å; A119-R121 PolarHBondContact O-N 3.39Å; A119-Q122 PolarHBondContact O-N 2.97Å; A119-Q122 VanDerWaalsContact O-N 3.1Å; A119-G123 PolarHBondContact O-N 3Å; A119-G123 VanDerWaalsContact O-N 3.16Å
120	T	59	Low	58.8	Low	110 Å²	110	107 Å²	107	68%	0.675	65%	0.653	S	S	*	*	H	α-helix	trans	-62.9	-23.5	175.1	47.6	0	0	0	0	113.1	A116 L117	A116-T120 WeakPolarHBondContact O-CB 3.43Å; A116-T120 WeakPolarHBondContact O-CG2 3.45Å; A116-T120 PolarHBondContact O-N 3.41Å; A116-T120 PolarHBondContact O-OG1 3.2Å; L117-T120 WeakPolarHBondContact CA-OG1 3.4Å; L117-T120 PolarHBondContact O-OG1 3.42Å
121	R	57.8	Low	56.1	Low	215 Å²	215	107.4 Å²	107.4	81%	0.811	66%	0.662	S	S	*	*	H	α-helix	trans	-85.4	-12.7	176.1	-146.3	175.2	-166.7	-177.6	4.5	114.4	L117 F118 A119	L117-R121 WeakPolarHBondContact O-CB 3.49Å; F118-R121 PolarHBondContact O-N 2.86Å; F118-R121 VanDerWaalsContact O-N 3.16Å; A119-R121 PolarHBondContact O-N 3.39Å
122	Q	54.3	Low	53.6	Low	146 Å²	146	107.9 Å²	107.9	68%	0.682	67%	0.668	S	S	*	*	H	α-helix	trans	-102.1	-15.5	174.6	-66.4	-172.8	6.5	0	0	113.3	F118 A119 A124	F118-Q122 PolarHBondContact O-N 2.85Å; A119-Q122 PolarHBondContact O-N 2.97Å; A119-Q122 VanDerWaalsContact O-N 3.1Å; Q122-A124 PolarHBondContact O-N 3.37Å
123	G	46.4	Very low	52.2	Low	64 Å²	64	107.6 Å²	107.6	66%	0.66	68%	0.675	S	S	*	*			trans	-75.2	40	-177.6	0	0	0	0	0	116.4	A119	A119-G123 PolarHBondContact O-N 3Å; A119-G123 VanDerWaalsContact O-N 3.16Å
124	A	40.9	Very low	49.9	Very low	87 Å²	87	110.3 Å²	110.3	72%	0.719	69%	0.689	S	S	*	*			trans	-134.8	85.1	-173.6	0	0	0	0	0	114	Q122	Q122-A124 PolarHBondContact O-N 3.37Å
125	P	41	Very low	47.7	Very low	129 Å²	129	112.5 Å²	112.5	84%	0.838	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-81.7	164.8	164.7	34.4	-33.3	0	0	0	112.2
126	A	35.1	Very low	46.7	Very low	104 Å²	104	115.3 Å²	115.3	86%	0.86	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-88.4	168.6	-169.3	0	0	0	0	0	115.4
127	A	34.2	Very low	44.9	Very low	94 Å²	94	119.8 Å²	119.8	78%	0.777	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-70	159.8	-169.7	0	0	0	0	0	117
128	T	32.6	Very low	43.2	Very low	142 Å²	142	118 Å²	118	87%	0.871	74%	0.736	S	S	*	*			trans	-160.3	158.6	139.1	8	0	0	0	0	110
129	P	50.6	Low	41.5	Very low	112 Å²	112	119.1 Å²	119.1	73%	0.727	74%	0.742	S	S	*	*			trans	-112.7	-173.3	-161.7	42.9	-35.6	0	0	0	115.9
130	S	30.7	Very low	40	Very low	111 Å²	111	123.7 Å²	123.7	78%	0.776	76%	0.757	S	S	*	*			trans	72.6	145.7	176.2	76	0	0	0	0	116.6
131	D	28.7	Very low	38.6	Very low	150 Å²	150	123 Å²	123	80%	0.802	76%	0.757	S	S	*	*			cis	-143.2	-177.9	5.7	-138.3	-42.6	0	0	0	113.5
132	S	30.1	Very low	37.5	Very low	97 Å²	97	119.1 Å²	119.1	68%	0.678	76%	0.757	S	S	*	*			trans	-100.9	-170	-168	68.5	0	0	0	0	114.1
133	P	52.6	Low	38	Very low	110 Å²	110	117.2 Å²	117.2	71%	0.714	76%	0.757	S	S	*	*			cis	-135.7	176.7	-11.4	41.5	-25.2	0	0	0	115.6
134	I	30.4	Very low	38.4	Very low	171 Å²	171	119.8 Å²	119.8	88%	0.877	76%	0.762	S	S	*	*			trans	178.1	160	134	-92.9	159.1	0	0	0	110.1
135	S	32.4	Very low	38.1	Very low	110 Å²	110	123.2 Å²	123.2	77%	0.769	77%	0.768	S	S	*	*			trans	-154.1	-177.4	-165.8	-136.1	0	0	0	0	110.6
136	P	52.9	Low	37.7	Very low	99 Å²	99	121.1 Å²	121.1	64%	0.643	76%	0.762	S	S	*	*			cis	-142.4	-179.5	-3.5	42.3	-24	0	0	0	117.5
137	L	33.8	Very low	37.5	Very low	149 Å²	149	122.7 Å²	122.7	78%	0.78	76%	0.761	S	S	*	*			trans	69.7	148	149.3	-78.3	158.6	0	0	0	120
138	A	31.9	Very low	37.3	Very low	82 Å²	82	123.2 Å²	123.2	68%	0.678	77%	0.765	S	S	*	*			cis	-152.5	155.1	4.1	0	0	0	0	0	115.5
139	H	32.9	Very low	37	Very low	155 Å²	155	119.7 Å²	119.7	72%	0.718	76%	0.757	S	S	*	*			trans	1.1	155.7	147.1	-50	-74.5	0	0	0	121.5
140	L	31.6	Very low	37	Very low	160 Å²	160	120.3 Å²	120.3	84%	0.838	76%	0.761	S	S	*	*			cis	-148	-171.6	20.4	-86.2	98	0	0	0	110
141	S	29.8	Very low	37.1	Very low	97 Å²	97	119.5 Å²	119.5	68%	0.678	76%	0.761	S	S	*	*			cis	-174.1	162.9	-45.7	-74.6	0	0	0	0	110.4
142	T	34.1	Very low	37.1	Very low	133 Å²	133	119.5 Å²	119.5	82%	0.816	77%	0.766	S	S	*	*			trans	-149.9	-166.5	175.3	57.9	0	0	0	0	109
143	P	65.4	Low	37.2	Very low	106 Å²	106	120.3 Å²	120.3	69%	0.688	77%	0.771	S	S	*	*			cis	-109.2	-117.3	-22.4	40.6	-23	0	0	0	108.8
144	P	54	Low	36.1	Very low	117 Å²	117	120.9 Å²	120.9	76%	0.76	78%	0.778	S	S	*	*			cis	-101.9	173	-12.8	41.7	-32.4	0	0	0	113.3
145	L	35.2	Very low	36.1	Very low	159 Å²	159	118.6 Å²	118.6	83%	0.832	78%	0.777	S	S	*	*			cis	98.6	102.9	5.2	-159.2	156	0	0	0	118.1
146	A	32.8	Very low	36.1	Very low	86 Å²	86	121.3 Å²	121.3	71%	0.711	78%	0.782	S	S	*	*			trans	-173.5	168.5	170.4	0	0	0	0	0	108.4
147	T	30.6	Very low	35.1	Very low	137 Å²	137	122 Å²	122	84%	0.84	79%	0.79	S	S	*	*			cis	-174.4	150.4	-25.1	32.1	0	0	0	0	105.8
148	A	29.5	Very low	34.7	Very low	104 Å²	104	124.2 Å²	124.2	86%	0.86	80%	0.796	S	S	*	*			cis	-157.8	-143.3	-5.7	0	0	0	0	0	109.4
149	G	27	Very low	35.3	Very low	68 Å²	68	125.8 Å²	125.8	70%	0.701	80%	0.799	S	S	*	*			trans	-146.1	-148	175.3	0	0	0	0	0	111.9
150	P	51.2	Low	35.8	Very low	126 Å²	126	124 Å²	124	82%	0.818	80%	0.801	S	S	*	*			cis	-147.1	176.3	-4.8	44	-25.5	0	0	0	118
151	A	31.6	Very low	36.2	Very low	94 Å²	94	122.2 Å²	122.2	78%	0.777	80%	0.8	S	S	*	*			trans	65.2	145.8	143.7	0	0	0	0	0	125.1
152	V	30.2	Very low	36	Very low	150 Å²	150	127.1 Å²	127.1	91%	0.909	81%	0.812	S	S	*	*			trans	-179.4	169.1	136.5	149.5	0	0	0	0	110.6
153	S	31.3	Very low	35.7	Very low	113 Å²	113	125.2 Å²	125.2	79%	0.79	81%	0.809	S	S	*	*			trans	-117.8	170.6	-157	57.1	0	0	0	0	118.2
154	S	30.2	Very low	34.2	Very low	123 Å²	123	126.2 Å²	126.2	86%	0.86	82%	0.816	S	S	*	*			trans	-150.9	174.1	161.5	65.5	0	0	0	0	113.8
155	S	30.5	Very low	32.7	Very low	123 Å²	123	127.2 Å²	127.2	86%	0.86	82%	0.82	S	S	*	*			trans	-145.3	-179.2	-163.7	53.9	0	0	0	0	116.1
156	L	31.8	Very low	32.2	Very low	166 Å²	166	123.7 Å²	123.7	87%	0.869	81%	0.814	S	S	*	*			trans	-103.9	151.9	-161.3	-69.1	152.6	0	0	0	117.3
157	S	30.9	Very low	31.6	Very low	115 Å²	115	128.4 Å²	128.4	80%	0.804	82%	0.821	S	S	*	*				140.3	111.7	125.6	-58.5	0	0	0	0	120.1
158	Q	26.4	Very low	31.6	Very low	195 Å²	195	126.6 Å²	126.6	91%	0.911	81%	0.812	S	S	*	*			trans	49.1	150.7	143.3	-73.9	-172.1	-36.9	0	0	128.1
159	P	44.8	Very low	31.2	Very low	114 Å²	114	128.5 Å²	128.5	74%	0.74	81%	0.813	S	S	*	*			trans	-100.9	-171	177.2	47	-40.5	0	0	0	113.2
160	P	42.7	Very low	31	Very low	118 Å²	118	128.5 Å²	128.5	77%	0.766	81%	0.806	S	S	*	*			cis	-141	-145.6	47.1	39.2	-13	0	0	0	113.2
161	P	39.8	Very low	29.7	Very low	123 Å²	123	129 Å²	129	80%	0.799	81%	0.807	S	S	*	*			cis	-136.3	-121.3	-2.8	42.7	-18.4	0	0	0	117.3
162	E	26.2	Very low	29.3	Very low	199 Å²	199	133.4 Å²	133.4	93%	0.93	81%	0.811	S	S	*	*			trans	-124.4	-172.1	-157.4	-61	177.9	109.3	0	0	116.9
163	A	27.8	Very low	29	Very low	93 Å²	93	132.9 Å²	132.9	77%	0.769	80%	0.799	S	S	*	*			trans	-111.8	171.9	-169.5	0	0	0	0	0	116.5
164	P	33	Very low	28.5	Very low	128 Å²	128	134.7 Å²	134.7	83%	0.831	81%	0.806	S	S	*	*			trans	-140.7	-175.7	152.1	39.7	-23.8	0	0	0	116.1
165	T	23.5	Very low	28.2	Very low	137 Å²	137	136.1 Å²	136.1	84%	0.84	80%	0.796	S	S	*	*			trans	-121.4	166.9	-158.5	53.1	0	0	0	0	117.4
166	A	23.8	Very low	27.8	Very low	86 Å²	86	140.5 Å²	140.5	71%	0.711	80%	0.8	S	S	*	*			trans	100.8	118.7	138.5	0	0	0	0	0	122.6
167	Q	20.4	Very low	27.3	Very low	184 Å²	184	137 Å²	137	86%	0.86	79%	0.789	S	S	*	*				53.7	169.1	127.7	-83.4	-171.1	10.9	0	0	122.8
168	P	30.3	Very low	26.9	Very low	100 Å²	100	139.9 Å²	139.9	65%	0.649	79%	0.789	S	S	*	*			cis	-138.6	-179.7	-23.3	35.2	-15.5	0	0	0	116
169	V	22.6	Very low	27	Very low	144 Å²	144	136.6 Å²	136.6	87%	0.873	79%	0.785	S	S	*	*			trans	68.9	146.4	142.3	149.6	0	0	0	0	119.7
170	A	22.5	Very low	26.2	Very low	68 Å²	68	138.5 Å²	138.5	56%	0.562	79%	0.788	S	S	*	*			cis	-170.8	168.5	-21	0	0	0	0	0	113.1
171	T	23.1	Very low	25.2	Very low	135 Å²	135	138.4 Å²	138.4	83%	0.828	79%	0.79	S	S	*	*			trans	62.3	148.6	158.6	58.6	0	0	0	0	118.8
172	Q	23.8	Very low	24.8	Very low	188 Å²	188	138.7 Å²	138.7	88%	0.879	79%	0.789	S	S	*	*			cis	-143	171.2	35.8	-75.8	-175.7	-15.7	0	0	114.9
173	E	22.7	Very low	24.6	Very low	139 Å²	139	138.4 Å²	138.4	65%	0.65	79%	0.785	S	S	*	*			trans	-79.8	161	173.6	-48.6	-174.1	101.6	0	0	113.9	K175	E173-K175 VanDerWaalsContact CD-NZ 3.3Å; E173-K175 IonicContact OE1-NZ 3.73Å; E173-K175 PolarHBondContact OE1-NZ 2.9Å; E173-K175 IonicContact OE2-NZ 3.22Å; E173-K175 PolarHBondContact OE2-NZ 3.4Å
174	T	22.6	Very low	24.6	Very low	151 Å²	151	140.6 Å²	140.6	93%	0.926	79%	0.788	S	S	*	*				-154.8	146.3	122.6	-4.8	0	0	0	0	112.7
175	K	23	Very low	24.2	Very low	153 Å²	153	140.5 Å²	140.5	67%	0.665	79%	0.789	S	S	*	*			trans	-106.1	148.2	-174.4	-57	173.9	174.4	82.9	0	111.9	E173	E173-K175 VanDerWaalsContact CD-NZ 3.3Å; E173-K175 IonicContact OE1-NZ 3.73Å; E173-K175 PolarHBondContact OE1-NZ 2.9Å; E173-K175 IonicContact OE2-NZ 3.22Å; E173-K175 PolarHBondContact OE2-NZ 3.4Å
176	K	21.7	Very low	24.4	Very low	214 Å²	214	142.5 Å²	142.5	93%	0.93	79%	0.789	S	S	*	*			trans	-168.1	170.5	137.4	-105.3	154.9	-171.8	176.4	0	111.9
177	S	21.9	Very low	24.6	Very low	92 Å²	92	144.3 Å²	144.3	64%	0.643	79%	0.791	S	S	*	*			trans	-145.1	138.3	-139.7	54.7	0	0	0	0	116.3
178	H	22.9	Very low	25	Very low	176 Å²	176	139.6 Å²	139.6	82%	0.815	78%	0.779	S	S	*	*			trans	65.4	165.2	150.1	-67.9	-39.6	0	0	0	117.6
179	P	27.5	Very low	25	Very low	127 Å²	127	143.5 Å²	143.5	83%	0.825	79%	0.788	S	S	*	*			cis	-125.1	-174.1	12.3	43.2	-27.9	0	0	0	116.7
180	I	28.6	Very low	25.1	Very low	154 Å²	154	139 Å²	139	79%	0.79	77%	0.772	S	S	*	*			trans	-77	145.5	-174.5	-61.3	158.3	0	0	0	112.1
181	S	21.8	Very low	25.5	Very low	116 Å²	116	140 Å²	140	81%	0.811	77%	0.77	S	S	*	*			trans	-151	143.7	148.8	-168.3	0	0	0	0	111
182	V	30.4	Very low	25.6	Very low	129 Å²	129	140.3 Å²	140.3	78%	0.782	77%	0.766	S	S	*	*			trans	-88.7	132.8	-176.1	177.3	0	0	0	0	110.4
183	K	23.5	Very low	25.7	Very low	193 Å²	193	134.7 Å²	134.7	84%	0.839	75%	0.752	S	S	*	*			trans	-134.3	135	160.8	-82.4	-169.1	173.7	-177.4	0	111.1	C185	K183-C185 PolarHBondContact O-N 3.2Å
184	T	27.1	Very low	26	Very low	138 Å²	138	133.5 Å²	133.5	85%	0.847	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-56.6	122.4	164.4	27.9	0	0	0	0	109.6	Q186	T184-Q186 PolarHBondContact O-N 3Å
185	C	24.3	Very low	26.6	Very low	126 Å²	126	133 Å²	133	85%	0.851	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-79.6	116.8	175.7	-155.4	0	0	0	0	109	K183 V187	K183-C185 PolarHBondContact O-N 3.2Å; C185-V187 PolarHBondContact O-N 3.05Å
186	Q	27.4	Very low	27.1	Very low	180 Å²	180	136.8 Å²	136.8	84%	0.841	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-66.9	128.2	168.9	-67	172.9	-63.7	0	0	108.1	T184 S188	T184-Q186 PolarHBondContact O-N 3Å; Q186-S188 PolarHBondContact O-N 2.95Å; Q186-S188 VanDerWaalsContact O-N 3.09Å
187	V	28.8	Very low	27.9	Very low	124 Å²	124	129.4 Å²	129.4	75%	0.752	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-59.1	118.1	173.3	-179.9	0	0	0	0	108	C185 V191	C185-V187 PolarHBondContact O-N 3.05Å; V187-V191 HydrophobicContact CG1-CB 4.12Å; V187-V191 HydrophobicContact CG1-CG2 3.88Å
188	S	28.6	Very low	28.9	Very low	85 Å²	85	129.2 Å²	129.2	59%	0.594	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-69.5	147.4	-173.6	55.1	0	0	0	0	111.1	Q186 G190 V191	Q186-S188 PolarHBondContact O-N 2.95Å; Q186-S188 VanDerWaalsContact O-N 3.09Å; S188-G190 PolarHBondContact O-N 3.39Å; S188-V191 PolarHBondContact O-N 3.15Å; S188-V191 VanDerWaalsContact O-N 3.16Å
189	Q	30.9	Very low	30.5	Very low	181 Å²	181	129.6 Å²	129.6	85%	0.846	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-9.6	-172.9	-69.5	172.4	-51.6	0	0	114.3	V191 L192 A193	Q189-V191 VanDerWaalsContact C-N 3.31Å; Q189-V191 PolarHBondContact O-N 3.36Å; Q189-L192 PolarHBondContact O-N 3.4Å; Q189-A193 PolarHBondContact O-N 3.46Å
190	G	24.3	Very low	32.2	Very low	51 Å²	51	127 Å²	127	53%	0.526	73%	0.733	S	S	.	*	H	α-helix	trans	-60.2	-34.1	171.6	0	0	0	0	0	113.9	S188 L192 A193 T194	S188-G190 PolarHBondContact O-N 3.39Å; G190-L192 VanDerWaalsContact C-N 3.28Å; G190-L192 PolarHBondContact O-N 3.46Å; G190-A193 WeakPolarHBondContact O-CB 3.36Å; G190-A193 PolarHBondContact O-N 3.35Å; G190-T194 PolarHBondContact O-OG1 3.42Å
191	V	30	Very low	34.4	Very low	88 Å²	88	121.2 Å²	121.2	53%	0.533	71%	0.705	S	S	.	*	H	α-helix	trans	-67.8	-30.7	178.4	-175.8	0	0	0	0	111.7	V187 S188 Q189 A193 T194	V187-V191 HydrophobicContact CG1-CB 4.12Å; V187-V191 HydrophobicContact CG1-CG2 3.88Å; S188-V191 PolarHBondContact O-N 3.15Å; S188-V191 VanDerWaalsContact O-N 3.16Å; Q189-V191 VanDerWaalsContact C-N 3.31Å; Q189-V191 PolarHBondContact O-N 3.36Å; V191-A193 VanDerWaalsContact C-N 3.34Å; V191-T194 PolarHBondContact O-OG1 2.89Å
192	L	26.9	Very low	37.3	Very low	141 Å²	141	118.4 Å²	118.4	74%	0.738	70%	0.695	S	S	*	*	H	α-helix	trans	-76.2	-22.6	178.4	-134	77.9	0	0	0	112.7	Q189 G190 M195	Q189-L192 PolarHBondContact O-N 3.4Å; G190-L192 VanDerWaalsContact C-N 3.28Å; G190-L192 PolarHBondContact O-N 3.46Å; L192-M195 PolarHBondContact O-N 2.88Å
193	A	25.2	Very low	40.2	Very low	71 Å²	71	120.8 Å²	120.8	59%	0.587	69%	0.69	S	S	*	*	H	α-helix	trans	-67.1	-37.2	177.5	0	0	0	0	0	111.8	Q189 G190 V191 M195 R196	Q189-A193 PolarHBondContact O-N 3.46Å; G190-A193 WeakPolarHBondContact O-CB 3.36Å; G190-A193 PolarHBondContact O-N 3.35Å; V191-A193 VanDerWaalsContact C-N 3.34Å; A193-M195 PolarHBondContact O-N 3.22Å; A193-M195 VanDerWaalsContact O-N 3.13Å; A193-R196 PolarHBondContact O-N 2.9Å
194	T	29.5	Very low	43.6	Very low	113 Å²	113	112.8 Å²	112.8	69%	0.693	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-14	177.6	-22.8	0	0	0	0	113.7	G190 V191 R196	G190-T194 PolarHBondContact O-OG1 3.42Å; V191-T194 PolarHBondContact O-OG1 2.89Å; T194-R196 VanDerWaalsContact C-N 3.33Å
195	M	34	Very low	46.9	Very low	141 Å²	141	112.4 Å²	112.4	70%	0.695	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-4.4	178.2	-64.1	-99.3	67.9	0	0	113.4	L192 A193 G197	L192-M195 PolarHBondContact O-N 2.88Å; A193-M195 PolarHBondContact O-N 3.22Å; A193-M195 VanDerWaalsContact O-N 3.13Å; M195-G197 VanDerWaalsContact C-N 3.26Å; M195-G197 PolarHBondContact O-N 2.76Å
196	R	32.8	Very low	50.3	Low	232 Å²	232	116.4 Å²	116.4	88%	0.875	65%	0.654	S	S	*	*	S	Bend	trans	-83.5	69.4	173.1	-170.2	-173	-70.1	-113.7	-0.4	110.7	A193 T194	A193-R196 PolarHBondContact O-N 2.9Å; T194-R196 VanDerWaalsContact C-N 3.33Å
197	G	38.6	Very low	53.6	Low	59 Å²	59	111.1 Å²	111.1	61%	0.608	63%	0.631	S	S	*	*			trans	52.3	100.3	166.7	0	0	0	0	0	115.7	M195 E199	M195-G197 VanDerWaalsContact C-N 3.26Å; M195-G197 PolarHBondContact O-N 2.76Å; G197-E199 PolarHBondContact O-N 3.02Å; G197-E199 VanDerWaalsContact O-N 3.13Å
198	A	44.3	Very low	56.7	Low	88 Å²	88	108.9 Å²	108.9	73%	0.727	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-53.3	121.4	173.5	0	0	0	0	0	110.8	A200	A198-A200 PolarHBondContact O-N 2.94Å
199	E	55	Low	59.7	Low	185 Å²	185	108.9 Å²	108.9	86%	0.864	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-59.9	135.1	-179	-65.8	-171	145.1	0	0	110.4	G197	G197-E199 PolarHBondContact O-N 3.02Å; G197-E199 VanDerWaalsContact O-N 3.13Å
200	A	63.3	Low	62.5	Low	71 Å²	71	107.6 Å²	107.6	59%	0.587	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-54.6	124.4	-176.4	0	0	0	0	0	110	A198 G202	A198-A200 PolarHBondContact O-N 2.94Å; A200-G202 PolarHBondContact O-N 3.03Å
201	P	75.1	Confident	65.8	Low	33 Å²	33	106 Å²	106	21%	0.214	59%	0.592	C	S	.	*	P	Polyproline II helix	trans	-55.2	117.8	-163	-30.1	35	0	0	0	113.5	R215 Q216	P201-R215 HydrophobicContact CB-CG 4.3Å; P201-R215 VanDerWaalsContact CB-CZ 3.46Å; P201-R215 PolarHBondContact O-NH1 2.89Å; P201-Q216 VanDerWaalsContact O-CG 3.29Å; P201-Q216 WeakPolarHBondContact O-CG 3.43Å; P201-Q216 PolarHBondContact O-NE2 2.94Å
202	G	83.9	Confident	68.7	Low	58 Å²	58	102 Å²	102	60%	0.598	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-50.5	142.5	-176.1	0	0	0	0	0	113	A200 S204 R215	A200-G202 PolarHBondContact O-N 3.03Å; G202-S204 PolarHBondContact O-N 3.45Å; G202-S204 VanDerWaalsContact O-N 3.15Å; G202-R215 PolarHBondContact O-NH1 2.94Å
203	R	91.5	Very high	71.7	Confident	178 Å²	178	98.1 Å²	98.1	67%	0.672	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-56.7	118.2	-171	-172.8	-173.3	178.4	-141.3	0.4	110.9	N212	R203-N212 HydrophobicContact CG-CB 4.26Å
204	S	94.3	Very high	74.7	Confident	25 Å²	25	98.3 Å²	98.3	18%	0.175	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-79	128.3	176.2	-179.9	0	0	0	0	110.7	G202 Y206 L207 N212	G202-S204 PolarHBondContact O-N 3.45Å; G202-S204 VanDerWaalsContact O-N 3.15Å; S204-Y206 PolarHBondContact O-N 2.73Å; S204-Y206 PolarHBondContact OG-N 2.78Å; S204-L207 PolarHBondContact O-N 3.11Å; S204-N212 PolarHBondContact N-OD1 2.88Å; S204-N212 PolarHBondContact O-ND2 2.82Å; S204-N212 PolarHBondContact O-OD1 3.37Å
205	V	96.1	Very high	77.5	Confident	130 Å²	130	98.1 Å²	98.1	79%	0.788	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.4	171	-64.3	0	0	0	0	112.8	L207	V205-L207 VanDerWaalsContact C-N 3.34Å
206	Y	96.6	Very high	79.9	Confident	211 Å²	211	95 Å²	95	83%	0.827	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-5.9	180	-52.1	-69.3	0	0	0	113.6	S204	S204-Y206 PolarHBondContact O-N 2.73Å; S204-Y206 PolarHBondContact OG-N 2.78Å
207	L	96.2	Very high	82.1	Confident	69 Å²	69	87.5 Å²	87.5	36%	0.361	49%	0.488	S	S	.	.	S	Bend	trans	-112	145.7	179.2	-62.8	179	0	0	0	110.8	S204 V205 N212 R215	S204-L207 PolarHBondContact O-N 3.11Å; V205-L207 VanDerWaalsContact C-N 3.34Å; L207-N212 PolarHBondContact O-ND2 2.83Å; L207-R215 HydrophobicContact CD1-CB 4.28Å
208	S	93.9	Very high	83.7	Confident	76 Å²	76	90 Å²	90	53%	0.531	48%	0.484	S	S	.	.			trans	-60.5	165.6	168.7	66.8	0	0	0	0	111.3	R210 G211 N212	S208-R210 PolarHBondContact O-N 3.31Å; S208-G211 PolarHBondContact O-N 3.02Å; S208-G211 VanDerWaalsContact O-N 3.12Å; S208-G211 PolarHBondContact OG-N 3.48Å; S208-N212 PolarHBondContact O-N 2.84Å; S208-N212 PolarHBondContact O-ND2 2.94Å; S208-N212 VanDerWaalsContact O-ND2 3.1Å
209	S	91.3	Very high	85.7	Confident	85 Å²	85	86.6 Å²	86.6	59%	0.594	46%	0.457	S	S	*	.	H	α-helix	trans	-58.4	-37.8	175.2	-58.1	0	0	0	0	112.1	S213	S209-S213 PolarHBondContact O-N 2.87Å
210	R	90.2	Very high	87.4	Confident	154 Å²	154	79.3 Å²	79.3	58%	0.581	42%	0.424	S	S	*	.	H	α-helix	trans	-63.9	-47.8	171.5	-177.9	169.5	67.3	171.6	-1.5	111.8	S208 N212 S213 I214 Y349	S208-R210 PolarHBondContact O-N 3.31Å; R210-N212 VanDerWaalsContact C-N 3.29Å; R210-N212 PolarHBondContact O-N 3.33Å; R210-S213 WeakPolarHBondContact O-CB 3.28Å; R210-S213 PolarHBondContact O-N 3.49Å; R210-S213 VanDerWaalsContact O-N 3.13Å; R210-I214 HydrophobicContact CG-CD1 3.81Å; R210-I214 HydrophobicContact CG-CG1 4.37Å; R210-I214 VanDerWaalsContact O-CG1 3.28Å; R210-I214 WeakPolarHBondContact O-CG1 3.42Å; R210-I214 PolarHBondContact O-N 3.41Å; R210-Y349 PolarHBondContact NH1-O 3.16Å
211	G	92.6	Very high	88.8	Confident	18 Å²	18	77.8 Å²	77.8	19%	0.186	41%	0.405	C	S	.	.	H	α-helix	trans	-61.3	-35.8	178.3	0	0	0	0	0	113.5	S208 R215	S208-G211 PolarHBondContact O-N 3.02Å; S208-G211 VanDerWaalsContact O-N 3.12Å; S208-G211 PolarHBondContact OG-N 3.48Å; G211-R215 WeakPolarHBondContact O-CB 3.46Å; G211-R215 PolarHBondContact O-N 3.36Å
212	N	91.9	Very high	89.6	Confident	3 Å²	3	80.5 Å²	80.5	2%	0.016	42%	0.415	C	S	.	.	H	α-helix	trans	-66.3	-47	170.9	-82.8	-66.8	0	0	0	112.1	R203 S204 L207 S208 R210 I214 R215 Q216	R203-N212 HydrophobicContact CG-CB 4.26Å; S204-N212 PolarHBondContact N-OD1 2.88Å; S204-N212 PolarHBondContact O-ND2 2.82Å; S204-N212 PolarHBondContact O-OD1 3.37Å; L207-N212 PolarHBondContact O-ND2 2.83Å; S208-N212 PolarHBondContact O-N 2.84Å; S208-N212 PolarHBondContact O-ND2 2.94Å; S208-N212 VanDerWaalsContact O-ND2 3.1Å; R210-N212 VanDerWaalsContact C-N 3.29Å; R210-N212 PolarHBondContact O-N 3.33Å; N212-I214 VanDerWaalsContact C-N 3.31Å; N212-I214 PolarHBondContact O-N 3.35Å; N212-R215 PolarHBondContact O-N 3.31Å; N212-R215 VanDerWaalsContact O-N 3.14Å; N212-Q216 WeakPolarHBondContact O-CB 3.29Å; N212-Q216 VanDerWaalsContact O-CG 3.31Å; N212-Q216 WeakPolarHBondContact O-CG 3.07Å; N212-Q216 PolarHBondContact O-N 3.45Å
213	S	88.6	Confident	90	Very high	60 Å²	60	80.4 Å²	80.4	42%	0.42	40%	0.399	S	S	.	.	H	α-helix	trans	-57.3	-44.3	176.8	-158.4	0	0	0	0	111.6	S209 R210 Q216 H217	S209-S213 PolarHBondContact O-N 2.87Å; R210-S213 WeakPolarHBondContact O-CB 3.28Å; R210-S213 PolarHBondContact O-N 3.49Å; R210-S213 VanDerWaalsContact O-N 3.13Å; S213-Q216 PolarHBondContact O-N 2.83Å; S213-H217 WeakPolarHBondContact O-CB 3.48Å; S213-H217 PolarHBondContact O-N 2.92Å
214	I	89.6	Confident	90.1	Very high	76 Å²	76	72 Å²	72	39%	0.39	37%	0.367	S	S	.	.	H	α-helix	trans	-61.6	-45.2	175.2	-63.3	162.3	0	0	0	111	R210 N212 Q216 H217 L348	R210-I214 HydrophobicContact CG-CD1 3.81Å; R210-I214 HydrophobicContact CG-CG1 4.37Å; R210-I214 VanDerWaalsContact O-CG1 3.28Å; R210-I214 WeakPolarHBondContact O-CG1 3.42Å; R210-I214 PolarHBondContact O-N 3.41Å; N212-I214 VanDerWaalsContact C-N 3.31Å; N212-I214 PolarHBondContact O-N 3.35Å; I214-Q216 VanDerWaalsContact C-N 3.32Å; I214-Q216 PolarHBondContact O-N 3.13Å; I214-H217 PolarHBondContact O-N 3.5Å; I214-L348 HydrophobicContact CG1-CD2 3.93Å
215	R	87.6	Confident	90.1	Very high	109 Å²	109	75.2 Å²	75.2	41%	0.411	38%	0.378	S	S	.	.	H	α-helix	trans	-70.1	-25.7	-179.9	176.6	172	169.3	-93.4	7.7	113.8	P201 G202 L207 G211 N212	P201-R215 HydrophobicContact CB-CG 4.3Å; P201-R215 VanDerWaalsContact CB-CZ 3.46Å; P201-R215 PolarHBondContact O-NH1 2.89Å; G202-R215 PolarHBondContact O-NH1 2.94Å; L207-R215 HydrophobicContact CD1-CB 4.28Å; G211-R215 WeakPolarHBondContact O-CB 3.46Å; G211-R215 PolarHBondContact O-N 3.36Å; N212-R215 PolarHBondContact O-N 3.31Å; N212-R215 VanDerWaalsContact O-N 3.14Å
216	Q	84.7	Confident	90	Very high	76 Å²	76	72.4 Å²	72.4	36%	0.355	36%	0.358	S	S	.	.	H	α-helix	trans	-90.9	-14.8	178.8	-71	177.3	-34	0	0	112.6	P201 N212 S213 I214 Q218	P201-Q216 VanDerWaalsContact O-CG 3.29Å; P201-Q216 WeakPolarHBondContact O-CG 3.43Å; P201-Q216 PolarHBondContact O-NE2 2.94Å; N212-Q216 WeakPolarHBondContact O-CB 3.29Å; N212-Q216 VanDerWaalsContact O-CG 3.31Å; N212-Q216 WeakPolarHBondContact O-CG 3.07Å; N212-Q216 PolarHBondContact O-N 3.45Å; S213-Q216 PolarHBondContact O-N 2.83Å; I214-Q216 VanDerWaalsContact C-N 3.32Å; I214-Q216 PolarHBondContact O-N 3.13Å; Q216-Q218 PolarHBondContact O-N 2.97Å
217	H	79.6	Confident	90	Very high	73 Å²	73	65.2 Å²	65.2	34%	0.338	33%	0.332	S	S	.	.			trans	-73.9	118	174.2	-169	82.3	0	0	0	110.9	S213 I214 E344	S213-H217 WeakPolarHBondContact O-CB 3.48Å; S213-H217 PolarHBondContact O-N 2.92Å; I214-H217 PolarHBondContact O-N 3.5Å; H217-E344 IonicContact CD2-OE1 2.99Å; H217-E344 IonicContact CE1-OE1 3.82Å; H217-E344 VanDerWaalsContact NE2-CD 3.3Å; H217-E344 VanDerWaalsContact NE2-CG 3.27Å; H217-E344 WeakPolarHBondContact NE2-CG 3.42Å; H217-E344 IonicContact NE2-OE1 3.37Å; H217-E344 PolarHBondContact NE2-OE1 3.37Å
218	Q	72.6	Confident	90	Very high	113 Å²	113	63.3 Å²	63.3	53%	0.528	32%	0.32	S	S	.	.			trans	-133.7	100.1	169.7	-68.6	-171.7	-3.2	0	0	108.8	Q216	Q216-Q218 PolarHBondContact O-N 2.97Å
219	G	85.4	Confident	90.1	Very high	15 Å²	15	62.6 Å²	62.6	16%	0.155	32%	0.319	C	S	.	.			trans	-74.9	150.9	176	0	0	0	0	0	112	L221 Q222 E223	G219-L221 PolarHBondContact O-N 2.89Å; G219-L221 VanDerWaalsContact O-N 3.16Å; G219-Q222 WeakPolarHBondContact O-CA 3.48Å; G219-Q222 VanDerWaalsContact O-CB 3.29Å; G219-Q222 WeakPolarHBondContact O-CB 3.43Å; G219-Q222 PolarHBondContact O-N 3.11Å; G219-E223 PolarHBondContact O-N 2.82Å
220	I	91.4	Very high	90.4	Very high	33 Å²	33	66.3 Å²	66.3	17%	0.169	33%	0.329	C	S	.	.	H	α-helix	trans	-54.7	-38	-179.7	-59.7	158.7	0	0	0	111.7	Q222 E223 G224 L573 W576 Q590 A591	I220-Q222 VanDerWaalsContact C-N 3.29Å; I220-Q222 PolarHBondContact O-N 3.33Å; I220-E223 PolarHBondContact O-N 2.97Å; I220-G224 PolarHBondContact O-N 2.64Å; I220-L573 HydrophobicContact CD1-CD2 3.93Å; I220-L573 HydrophobicContact CG1-CD2 4.21Å; I220-L573 HydrophobicContact CG2-CD2 4.3Å; I220-W576 HydrophobicContact CG2-CD2 4.11Å; I220-W576 HydrophobicContact CG2-CE3 4.14Å; I220-W576 HydrophobicContact CG2-CH2 3.8Å; I220-W576 HydrophobicContact CG2-CZ2 3.72Å; I220-W576 HydrophobicContact CG2-CZ3 4.01Å; I220-W576 WeakPolarHBondContact O-CZ2 3.43Å; I220-Q590 HydrophobicContact CD1-CB 3.95Å; I220-Q590 HydrophobicContact CD1-CG 3.95Å; I220-A591 HydrophobicContact CB-CB 3.91Å; I220-A591 HydrophobicContact CD1-CB 4.18Å; I220-A591 HydrophobicContact CG2-CB 4.12Å
221	L	92.5	Very high	90.7	Very high	38 Å²	38	60.7 Å²	60.7	20%	0.199	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-35.7	175.8	-57.3	-178.6	0	0	0	112.3	G219 F225 Y339 V341 A591 F592	G219-L221 PolarHBondContact O-N 2.89Å; G219-L221 VanDerWaalsContact O-N 3.16Å; L221-F225 VanDerWaalsContact O-CB 3.29Å; L221-F225 WeakPolarHBondContact O-CB 3.25Å; L221-F225 PolarHBondContact O-N 2.84Å; L221-Y339 HydrophobicContact CD1-CE2 4.3Å; L221-V341 HydrophobicContact CD1-CG2 3.84Å; L221-A591 HydrophobicContact CD2-CB 3.63Å; L221-A591 HydrophobicContact CG-CB 3.94Å; L221-F592 HydrophobicContact CD2-CE2 4.31Å; L221-F592 HydrophobicContact CD2-CZ 4.42Å
222	Q	91.3	Very high	90.9	Very high	91 Å²	91	65.6 Å²	65.6	43%	0.425	33%	0.327	S	S	.	.	H	α-helix	trans	-76.1	-42.9	178.8	-168.4	-175.3	12.3	0	0	111.2	G219 I220 G224 F225 I226	G219-Q222 WeakPolarHBondContact O-CA 3.48Å; G219-Q222 VanDerWaalsContact O-CB 3.29Å; G219-Q222 WeakPolarHBondContact O-CB 3.43Å; G219-Q222 PolarHBondContact O-N 3.11Å; I220-Q222 VanDerWaalsContact C-N 3.29Å; I220-Q222 PolarHBondContact O-N 3.33Å; Q222-G224 VanDerWaalsContact C-N 3.33Å; Q222-G224 PolarHBondContact O-N 3.33Å; Q222-F225 PolarHBondContact O-N 2.94Å; Q222-I226 HydrophobicContact CG-CD1 3.95Å; Q222-I226 WeakPolarHBondContact O-CB 3.32Å; Q222-I226 VanDerWaalsContact O-CG1 3.27Å; Q222-I226 WeakPolarHBondContact O-CG1 3.38Å; Q222-I226 PolarHBondContact O-N 3.48Å
223	E	91.7	Very high	91.2	Very high	56 Å²	56	66.6 Å²	66.6	26%	0.262	33%	0.332	S	S	.	.	H	α-helix	trans	-53.3	-51.8	172	-177	-167.6	158.3	0	0	110.2	G219 I220 I226 Q227 W576 R577	G219-E223 PolarHBondContact O-N 2.82Å; I220-E223 PolarHBondContact O-N 2.97Å; E223-I226 PolarHBondContact O-N 2.86Å; E223-Q227 WeakPolarHBondContact O-CG 3.15Å; E223-Q227 PolarHBondContact O-N 3.13Å; E223-Q227 VanDerWaalsContact O-N 3.12Å; E223-Q227 PolarHBondContact OE1-NE2 3.05Å; E223-W576 HydrophobicContact CB-CH2 4.12Å; E223-W576 HydrophobicContact CG-CH2 4.08Å; E223-W576 HydrophobicContact CG-CZ3 4.49Å; E223-R577 IonicContact OE1-NE 2.85Å; E223-R577 IonicContact OE1-NH2 2.75Å; E223-R577 IonicContact OE2-NH2 2.71Å
224	G	93.9	Very high	91.5	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.9	-41.5	179	0	0	0	0	0	113.8	I220 Q222 Q227 Y228	I220-G224 PolarHBondContact O-N 2.64Å; Q222-G224 VanDerWaalsContact C-N 3.33Å; Q222-G224 PolarHBondContact O-N 3.33Å; G224-Q227 PolarHBondContact O-N 3.23Å; G224-Y228 WeakPolarHBondContact O-CB 3.41Å; G224-Y228 PolarHBondContact O-N 3.3Å
225	F	94.4	Very high	91.5	Very high	93 Å²	93	70.1 Å²	70.1	41%	0.408	34%	0.339	S	S	.	.	H	α-helix	trans	-68.8	-36.5	179.1	-170.1	-92.4	0	0	0	112.6	L221 Q222 Y228 A229 T247	L221-F225 VanDerWaalsContact O-CB 3.29Å; L221-F225 WeakPolarHBondContact O-CB 3.25Å; L221-F225 PolarHBondContact O-N 2.84Å; Q222-F225 PolarHBondContact O-N 2.94Å; F225-Y228 HydrophobicContact CD2-CD1 4.17Å; F225-Y228 HydrophobicContact CE2-CD1 4.12Å; F225-Y228 HydrophobicContact CE2-CE1 4.31Å; F225-Y228 PolarHBondContact O-N 3.13Å; F225-A229 WeakPolarHBondContact O-CB 3.16Å; F225-A229 PolarHBondContact O-N 3.45Å; F225-T247 HydrophobicContact CD2-CG2 4.42Å; F225-T247 HydrophobicContact CE2-CG2 4.24Å
226	I	94.8	Very high	91.8	Very high	71 Å²	71	69.9 Å²	69.9	36%	0.364	35%	0.35	S	S	.	.	H	α-helix	trans	-64.5	-46.4	174.8	-70.9	168	0	0	0	110.4	Q222 E223 Y228 A229 M230	Q222-I226 HydrophobicContact CG-CD1 3.95Å; Q222-I226 WeakPolarHBondContact O-CB 3.32Å; Q222-I226 VanDerWaalsContact O-CG1 3.27Å; Q222-I226 WeakPolarHBondContact O-CG1 3.38Å; Q222-I226 PolarHBondContact O-N 3.48Å; E223-I226 PolarHBondContact O-N 2.86Å; I226-Y228 VanDerWaalsContact C-N 3.34Å; I226-Y228 PolarHBondContact O-N 2.82Å; I226-A229 PolarHBondContact O-N 2.74Å; I226-A229 VanDerWaalsContact O-N 3.16Å; I226-M230 HydrophobicContact CG2-CE 3.82Å; I226-M230 HydrophobicContact CG2-SD 4.12Å; I226-M230 WeakPolarHBondContact O-CG 3.39Å; I226-M230 PolarHBondContact O-N 2.94Å
227	Q	95.6	Very high	92.3	Very high	60 Å²	60	72.3 Å²	72.3	28%	0.28	37%	0.366	S	S	.	.	H	α-helix	trans	-60	-44.4	175.5	-70.1	-178.5	45.9	0	0	111.5	E223 G224 A229 M230 D231 I242	E223-Q227 WeakPolarHBondContact O-CG 3.15Å; E223-Q227 PolarHBondContact O-N 3.13Å; E223-Q227 VanDerWaalsContact O-N 3.12Å; E223-Q227 PolarHBondContact OE1-NE2 3.05Å; G224-Q227 PolarHBondContact O-N 3.23Å; Q227-A229 VanDerWaalsContact C-N 3.35Å; Q227-A229 PolarHBondContact O-N 3.41Å; Q227-M230 PolarHBondContact O-N 3.13Å; Q227-D231 PolarHBondContact O-N 3.17Å; Q227-D231 VanDerWaalsContact O-N 3.08Å; Q227-I242 HydrophobicContact CB-CD1 4.3Å
228	Y	96.6	Very high	93.1	Very high	29 Å²	29	71.2 Å²	71.2	11%	0.114	36%	0.362	C	S	.	.	H	α-helix	trans	-59.4	-40.8	173.1	163.1	-109	0	0	0	113.2	G224 F225 I226 D231 K232 I242 N244 L585	G224-Y228 WeakPolarHBondContact O-CB 3.41Å; G224-Y228 PolarHBondContact O-N 3.3Å; F225-Y228 HydrophobicContact CD2-CD1 4.17Å; F225-Y228 HydrophobicContact CE2-CD1 4.12Å; F225-Y228 HydrophobicContact CE2-CE1 4.31Å; F225-Y228 PolarHBondContact O-N 3.13Å; I226-Y228 VanDerWaalsContact C-N 3.34Å; I226-Y228 PolarHBondContact O-N 2.82Å; Y228-D231 CarbonylContact O-C 3.52Å; Y228-D231 VanDerWaalsContact O-C 3.3Å; Y228-D231 PolarHBondContact O-N 3.31Å; Y228-K232 HydrophobicContact CE2-CB 4.15Å; Y228-K232 HydrophobicContact CE2-CD 4.41Å; Y228-K232 HydrophobicContact CE2-CG 3.81Å; Y228-K232 WeakPolarHBondContact O-CA 3.12Å; Y228-K232 WeakPolarHBondContact O-CB 3.41Å; Y228-K232 PolarHBondContact O-N 3.41Å; Y228-K232 WeakPolarHBondContact OH-CE 3.41Å; Y228-I242 HydrophobicContact CD2-CB 4.23Å; Y228-I242 HydrophobicContact CD2-CG2 4.16Å; Y228-I242 WeakPolarHBondContact CD2-O 3.4Å; Y228-I242 WeakPolarHBondContact CE2-O 3.29Å; Y228-N244 HydrophobicContact CD1-CB 4.16Å; Y228-N244 WeakPolarHBondContact CD1-ND2 3.34Å; Y228-N244 HydrophobicContact CD2-CB 3.66Å; Y228-N244 HydrophobicContact CE1-CB 4.04Å; Y228-N244 WeakPolarHBondContact CE1-ND2 3.24Å; Y228-N244 HydrophobicContact CE2-CB 3.52Å; Y228-N244 HydrophobicContact CG-CB 3.98Å; Y228-L585 HydrophobicContact CG-CD2 4.42Å
229	A	96	Very high	94.2	Very high	62 Å²	62	68.7 Å²	68.7	51%	0.512	36%	0.356	S	S	.	.	H	α-helix	trans	-69	-35.3	-179.3	0	0	0	0	0	112.5	F225 I226 Q227	F225-A229 WeakPolarHBondContact O-CB 3.16Å; F225-A229 PolarHBondContact O-N 3.45Å; I226-A229 PolarHBondContact O-N 2.74Å; I226-A229 VanDerWaalsContact O-N 3.16Å; Q227-A229 VanDerWaalsContact C-N 3.35Å; Q227-A229 PolarHBondContact O-N 3.41Å
230	M	96.6	Very high	94.7	Very high	162 Å²	162	73.4 Å²	73.4	80%	0.798	38%	0.378	S	S	*	.	H	α-helix	trans	-73.3	-31.3	176.4	-70	177.7	172.7	0	0	113.2	I226 Q227	I226-M230 HydrophobicContact CG2-CE 3.82Å; I226-M230 HydrophobicContact CG2-SD 4.12Å; I226-M230 WeakPolarHBondContact O-CG 3.39Å; I226-M230 PolarHBondContact O-N 2.94Å; Q227-M230 PolarHBondContact O-N 3.13Å
231	D	97.4	Very high	95	Very high	36 Å²	36	71.9 Å²	71.9	19%	0.193	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	60	-177.8	-178.1	31.8	0	0	0	110.9	Q227 Y228 N238 G241 I242 K583	Q227-D231 PolarHBondContact O-N 3.17Å; Q227-D231 VanDerWaalsContact O-N 3.08Å; Y228-D231 CarbonylContact O-C 3.52Å; Y228-D231 VanDerWaalsContact O-C 3.3Å; Y228-D231 PolarHBondContact O-N 3.31Å; D231-N238 PolarHBondContact OD1-ND2 2.66Å; D231-G241 CarbonylContact O-C 2.99Å; D231-G241 VanDerWaalsContact OD1-CA 3.31Å; D231-G241 WeakPolarHBondContact OD1-CA 3.48Å; D231-I242 HydrophobicContact CB-CD1 4.29Å; D231-I242 HydrophobicContact CB-CG1 4.37Å; D231-I242 WeakPolarHBondContact O-CB 3.17Å; D231-I242 PolarHBondContact O-N 3.42Å; D231-K583 IonicContact OD2-NZ 2.78Å; D231-K583 PolarHBondContact OD2-NZ 3.42Å
232	K	97.1	Very high	95.3	Very high	121 Å²	121	70.4 Å²	70.4	53%	0.526	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-74.6	128.9	-177	173.3	169.6	174	178.4	0	111.2	Y228 H234 N238	Y228-K232 HydrophobicContact CE2-CB 4.15Å; Y228-K232 HydrophobicContact CE2-CD 4.41Å; Y228-K232 HydrophobicContact CE2-CG 3.81Å; Y228-K232 WeakPolarHBondContact O-CA 3.12Å; Y228-K232 WeakPolarHBondContact O-CB 3.41Å; Y228-K232 PolarHBondContact O-N 3.41Å; Y228-K232 WeakPolarHBondContact OH-CE 3.41Å; K232-H234 PolarHBondContact O-N 3.49Å; K232-N238 PolarHBondContact O-ND2 3.15Å
233	H	97.3	Very high	95.6	Very high	25 Å²	25	66.2 Å²	66.2	12%	0.116	34%	0.343	C	S	.	.			trans	-57.6	130.8	169.6	177.7	68.4	0	0	0	112	N238 P239 G241 I242 V243 L613	H233-N238 WeakPolarHBondContact CA-O 3.45Å; H233-N238 PolarHBondContact ND1-O 3.21Å; H233-P239 PolarHBondContact CE1-O 2.87Å; H233-P239 VanDerWaalsContact CE1-O 3.3Å; H233-P239 PolarHBondContact ND1-O 3.19Å; H233-G241 WeakPolarHBondContact CB-O 3.29Å; H233-I242 VanDerWaalsContact CB-O 3.25Å; H233-I242 WeakPolarHBondContact CB-O 3.41Å; H233-I242 PolarHBondContact N-O 3.42Å; H233-V243 HydrophobicContact CB-CG2 3.93Å; H233-L613 WeakPolarHBondContact CE1-CD2 3.37Å
234	H	94.6	Very high	95.9	Very high	90 Å²	90	63.8 Å²	63.8	42%	0.417	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-138.4	142.6	164.9	-167.6	-127.9	0	0	0	110.7	K232 T236 D237 N238 P239	K232-H234 PolarHBondContact O-N 3.49Å; H234-T236 VanDerWaalsContact C-N 3.29Å; H234-T236 PolarHBondContact CE1-OG1 2.8Å; H234-T236 PolarHBondContact ND1-OG1 3.38Å; H234-T236 PolarHBondContact O-N 2.83Å; H234-D237 IonicContact CE1-OD2 3.24Å; H234-D237 PolarHBondContact CE1-OD2 2.68Å; H234-D237 IonicContact CG-OD2 2.78Å; H234-D237 IonicContact ND1-OD2 2.63Å; H234-D237 PolarHBondContact ND1-OD2 3.16Å; H234-N238 PolarHBondContact N-O 2.83Å; H234-N238 CarbonylContact O-C 3.53Å; H234-N238 PolarHBondContact O-N 3.35Å; H234-N238 VanDerWaalsContact O-O 3.08Å; H234-P239 WeakPolarHBondContact O-CA 3.26Å; H234-P239 VanDerWaalsContact O-N 3.09Å
235	Q	91.1	Very high	96.1	Very high	119 Å²	119	63.8 Å²	63.8	56%	0.556	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-31.2	-168.8	-73	-176.4	-25	0	0	114
236	T	92.3	Very high	96.3	Very high	104 Å²	104	59.4 Å²	59.4	64%	0.638	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-49	178.4	50	0	0	0	0	112.4	H234	H234-T236 VanDerWaalsContact C-N 3.29Å; H234-T236 PolarHBondContact CE1-OG1 2.8Å; H234-T236 PolarHBondContact ND1-OG1 3.38Å; H234-T236 PolarHBondContact O-N 2.83Å
237	D	95.9	Very high	96.3	Very high	128 Å²	128	57.6 Å²	57.6	68%	0.684	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-21.8	-161.1	-38	-36.7	0	0	0	113.1	H234	H234-D237 IonicContact CE1-OD2 3.24Å; H234-D237 PolarHBondContact CE1-OD2 2.68Å; H234-D237 IonicContact CG-OD2 2.78Å; H234-D237 IonicContact ND1-OD2 2.63Å; H234-D237 PolarHBondContact ND1-OD2 3.16Å
238	N	96.8	Very high	96.3	Very high	49 Å²	49	55 Å²	55	26%	0.262	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-150.2	68.3	175	-171	12.8	0	0	0	111.3	D231 K232 H233 H234 D240 G241	D231-N238 PolarHBondContact OD1-ND2 2.66Å; K232-N238 PolarHBondContact O-ND2 3.15Å; H233-N238 WeakPolarHBondContact CA-O 3.45Å; H233-N238 PolarHBondContact ND1-O 3.21Å; H234-N238 PolarHBondContact N-O 2.83Å; H234-N238 CarbonylContact O-C 3.53Å; H234-N238 PolarHBondContact O-N 3.35Å; H234-N238 VanDerWaalsContact O-O 3.08Å; N238-D240 PolarHBondContact O-N 3.48Å; N238-G241 WeakPolarHBondContact ND2-CA 3.35Å; N238-G241 PolarHBondContact O-N 3.31Å; N238-G241 PolarHBondContact OD1-N 3.36Å
239	P	95.6	Very high	96.2	Very high	61 Å²	61	56.1 Å²	56.1	40%	0.396	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.7	-178.2	24.8	-34.1	0	0	0	112.2	H233 H234 G241 R617	H233-P239 PolarHBondContact CE1-O 2.87Å; H233-P239 VanDerWaalsContact CE1-O 3.3Å; H233-P239 PolarHBondContact ND1-O 3.19Å; H234-P239 WeakPolarHBondContact O-CA 3.26Å; H234-P239 VanDerWaalsContact O-N 3.09Å; P239-G241 VanDerWaalsContact C-N 3.35Å; P239-R617 PolarHBondContact O-NH2 2.78Å
240	D	96.3	Very high	96.3	Very high	114 Å²	114	53.3 Å²	53.3	61%	0.61	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-3.6	180	-64.1	-50.5	0	0	0	114.2	N238 K583	N238-D240 PolarHBondContact O-N 3.48Å; D240-K583 WeakPolarHBondContact O-CD 3.44Å; D240-K583 WeakPolarHBondContact O-CE 3.19Å; D240-K583 WeakPolarHBondContact O-CG 3.35Å
241	G	98.1	Very high	96.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-65.7	168.1	174.1	0	0	0	0	0	114	D231 H233 N238 P239 R617	D231-G241 CarbonylContact O-C 2.99Å; D231-G241 VanDerWaalsContact OD1-CA 3.31Å; D231-G241 WeakPolarHBondContact OD1-CA 3.48Å; H233-G241 WeakPolarHBondContact CB-O 3.29Å; N238-G241 WeakPolarHBondContact ND2-CA 3.35Å; N238-G241 PolarHBondContact O-N 3.31Å; N238-G241 PolarHBondContact OD1-N 3.36Å; P239-G241 VanDerWaalsContact C-N 3.35Å; G241-R617 PolarHBondContact O-NH1 3.19Å
242	I	98.5	Very high	96.3	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.036	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-69.8	125.6	-174.1	-58.3	174.1	0	0	0	111.7	Q227 Y228 D231 H233 L580 K583 L585	Q227-I242 HydrophobicContact CB-CD1 4.3Å; Y228-I242 HydrophobicContact CD2-CB 4.23Å; Y228-I242 HydrophobicContact CD2-CG2 4.16Å; Y228-I242 WeakPolarHBondContact CD2-O 3.4Å; Y228-I242 WeakPolarHBondContact CE2-O 3.29Å; D231-I242 HydrophobicContact CB-CD1 4.29Å; D231-I242 HydrophobicContact CB-CG1 4.37Å; D231-I242 WeakPolarHBondContact O-CB 3.17Å; D231-I242 PolarHBondContact O-N 3.42Å; H233-I242 VanDerWaalsContact CB-O 3.25Å; H233-I242 WeakPolarHBondContact CB-O 3.41Å; H233-I242 PolarHBondContact N-O 3.42Å; I242-L580 HydrophobicContact CD1-CD2 4.49Å; I242-K583 WeakPolarHBondContact CA-O 3.21Å; I242-K583 HydrophobicContact CG1-CD 4Å; I242-L585 HydrophobicContact CG2-CB 3.88Å
243	V	98.3	Very high	96.3	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.024	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	131	168	174	0	0	0	0	109.2	H233 L245 K583 V584 L585 L613	H233-V243 HydrophobicContact CB-CG2 3.93Å; V243-L245 HydrophobicContact CG1-CD2 4.2Å; V243-L245 HydrophobicContact CG1-CG 4.15Å; V243-K583 PolarHBondContact N-O 2.86Å; V243-V584 CarbonylContact O-C 3.4Å; V243-V584 WeakPolarHBondContact O-CA 3.25Å; V243-L585 PolarHBondContact O-N 2.72Å; V243-L613 HydrophobicContact CG2-CD2 3.83Å; V243-L613 HydrophobicContact CG2-CG 4.05Å
244	N	97.8	Very high	96.2	Very high	5 Å²	5	44 Å²	44	3%	0.027	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	98.3	-175.1	-177.7	-5.7	0	0	0	112	Y228 G246 T247	Y228-N244 HydrophobicContact CD1-CB 4.16Å; Y228-N244 WeakPolarHBondContact CD1-ND2 3.34Å; Y228-N244 HydrophobicContact CD2-CB 3.66Å; Y228-N244 HydrophobicContact CE1-CB 4.04Å; Y228-N244 WeakPolarHBondContact CE1-ND2 3.24Å; Y228-N244 HydrophobicContact CE2-CB 3.52Å; Y228-N244 HydrophobicContact CG-CB 3.98Å; N244-G246 PolarHBondContact OD1-N 3.26Å; N244-T247 VanDerWaalsContact CG-OG1 3.31Å; N244-T247 WeakPolarHBondContact ND2-CB 3.48Å; N244-T247 PolarHBondContact ND2-OG1 2.77Å; N244-T247 WeakPolarHBondContact OD1-CB 3.05Å; N244-T247 PolarHBondContact OD1-N 2.67Å; N244-T247 PolarHBondContact OD1-OG1 2.96Å
245	L	98.3	Very high	96.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.			trans	-108.9	17.3	170.1	-54.3	-175.8	0	0	0	111.7	V243 V584 L585 L586 I602 V603 L611 I618	V243-L245 HydrophobicContact CG1-CD2 4.2Å; V243-L245 HydrophobicContact CG1-CG 4.15Å; L245-V584 HydrophobicContact CD1-CG2 4.33Å; L245-V584 HydrophobicContact CG-CG2 4.38Å; L245-L585 CarbonylContact C-O 3.26Å; L245-L585 VanDerWaalsContact C-O 3.22Å; L245-L585 WeakPolarHBondContact CA-O 3.46Å; L245-L585 PolarHBondContact N-O 2.86Å; L245-L586 HydrophobicContact CB-CD2 3.9Å; L245-I602 HydrophobicContact CB-CG2 4.46Å; L245-I602 HydrophobicContact CD1-CG2 4.49Å; L245-V603 VanDerWaalsContact O-CB 3.32Å; L245-V603 WeakPolarHBondContact O-CB 3.24Å; L245-V603 WeakPolarHBondContact O-CG2 3.42Å; L245-V603 PolarHBondContact O-N 3.36Å; L245-L611 HydrophobicContact CD1-CD1 4.07Å; L245-L611 HydrophobicContact CD2-CD1 4.25Å; L245-I618 HydrophobicContact CD1-CD1 4.21Å
246	G	96.8	Very high	96.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	21%	0.206	C	C	.	.	S	Bend	trans	-102	-32.7	177.8	0	0	0	0	0	113	N244 L585 S587 R601	N244-G246 PolarHBondContact OD1-N 3.26Å; G246-L585 PolarHBondContact N-O 2.89Å; G246-S587 WeakPolarHBondContact CA-OG 3.33Å; G246-S587 PolarHBondContact O-OG 3.3Å; G246-R601 PolarHBondContact O-NH2 3.26Å
247	T	95.8	Very high	96.8	Very high	33 Å²	33	34.1 Å²	34.1	20%	0.202	18%	0.177	C	C	.	.	S	Bend	trans	-84.6	118.2	-177.2	-48.4	0	0	0	0	110.2	F225 N244 E249	F225-T247 HydrophobicContact CD2-CG2 4.42Å; F225-T247 HydrophobicContact CE2-CG2 4.24Å; N244-T247 VanDerWaalsContact CG-OG1 3.31Å; N244-T247 WeakPolarHBondContact ND2-CB 3.48Å; N244-T247 PolarHBondContact ND2-OG1 2.77Å; N244-T247 WeakPolarHBondContact OD1-CB 3.05Å; N244-T247 PolarHBondContact OD1-N 2.67Å; N244-T247 PolarHBondContact OD1-OG1 2.96Å; T247-E249 VanDerWaalsContact C-N 3.29Å; T247-E249 HydrophobicContact CG2-CG 4.03Å; T247-E249 PolarHBondContact O-N 3Å
248	S	95.8	Very high	96.8	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.042	17%	0.174	C	C	.	.			trans	-74.1	81.8	-178.9	-175.9	0	0	0	0	110.9	Y433 K467 Y555	S248-Y433 PolarHBondContact OG-OH 3.1Å; S248-K467 PolarHBondContact O-NZ 2.84Å; S248-Y555 WeakPolarHBondContact OG-CD1 3.33Å; S248-Y555 WeakPolarHBondContact OG-CE1 3.25Å
249	E	94.9	Very high	96.8	Very high	52 Å²	52	37.2 Å²	37.2	24%	0.243	18%	0.184	C	C	.	.			trans	-119.1	144.1	171.4	-70	174.4	161	0	0	108.5	T247 K251	T247-E249 VanDerWaalsContact C-N 3.29Å; T247-E249 HydrophobicContact CG2-CG 4.03Å; T247-E249 PolarHBondContact O-N 3Å; E249-K251 HydrophobicContact CB-CG 4.35Å; E249-K251 WeakPolarHBondContact OE2-CE 3.27Å; E249-K251 IonicContact OE2-NZ 2.86Å
250	N	97.4	Very high	96.7	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.011	17%	0.166	C	C	.	.			trans	-97.6	118.6	168.5	-177.8	-2.3	0	0	0	107.8	L252 Y254 A470 N525 L554 A605	N250-L252 WeakPolarHBondContact OD1-CB 3.25Å; N250-L252 PolarHBondContact OD1-N 2.96Å; N250-Y254 WeakPolarHBondContact O-CE1 3.49Å; N250-A470 HydrophobicContact CB-CB 3.78Å; N250-A470 WeakPolarHBondContact O-CB 3.25Å; N250-N525 PolarHBondContact ND2-OD1 3.25Å; N250-L554 HydrophobicContact CB-CD1 3.86Å; N250-L554 HydrophobicContact CB-CD2 3.79Å; N250-A605 HydrophobicContact CB-CB 4.34Å
251	K	96.4	Very high	96.6	Very high	21 Å²	21	31.5 Å²	31.5	9%	0.091	15%	0.149	C	C	.	.			trans	-115.8	5.7	180	-54.8	161.2	-166.8	171.2	0	111.6	E249 C253 Y254 A605 D606 Q607	E249-K251 HydrophobicContact CB-CG 4.35Å; E249-K251 WeakPolarHBondContact OE2-CE 3.27Å; E249-K251 IonicContact OE2-NZ 2.86Å; K251-C253 PolarHBondContact O-N 2.9Å; K251-Y254 HydrophobicContact CB-CD2 4.33Å; K251-Y254 HydrophobicContact CB-CE2 3.86Å; K251-Y254 HydrophobicContact CG-CE2 3.97Å; K251-A605 PolarHBondContact N-O 3.04Å; K251-D606 HydrophobicContact CD-CB 4.32Å; K251-D606 VanDerWaalsContact CD-CG 3.45Å; K251-D606 VanDerWaalsContact CD-OD2 3.25Å; K251-D606 WeakPolarHBondContact CD-OD2 3.32Å; K251-D606 IonicContact NZ-OD2 2.74Å; K251-D606 PolarHBondContact NZ-OD2 3.21Å; K251-Q607 PolarHBondContact O-NE2 2.85Å
252	L	97.4	Very high	96.4	Very high	11 Å²	11	35 Å²	35	6%	0.058	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-29	-171.2	-67.6	169.4	0	0	0	113.1	N250 R528 L529 A532 A605 D606 Q607	N250-L252 WeakPolarHBondContact OD1-CB 3.25Å; N250-L252 PolarHBondContact OD1-N 2.96Å; L252-R528 HydrophobicContact CB-CB 4.02Å; L252-R528 HydrophobicContact CD1-CB 4.01Å; L252-R528 HydrophobicContact CD2-CB 4.47Å; L252-R528 HydrophobicContact CG-CB 4.41Å; L252-R528 WeakPolarHBondContact O-CD 3.1Å; L252-R528 PolarHBondContact O-NH1 3.3Å; L252-L529 HydrophobicContact CD1-CB 4.48Å; L252-L529 HydrophobicContact CD1-CD2 3.62Å; L252-L529 HydrophobicContact CD1-CG 3.93Å; L252-A532 HydrophobicContact CD1-CB 4.48Å; L252-A532 HydrophobicContact CD2-CB 4.47Å; L252-A605 HydrophobicContact CD1-CB 4.08Å; L252-A605 HydrophobicContact CG-CB 4.39Å; L252-D606 VanDerWaalsContact CD2-O 3.26Å; L252-D606 WeakPolarHBondContact CD2-O 3.21Å; L252-Q607 PolarHBondContact O-NE2 2.91Å
253	C	96.8	Very high	96.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	23.9	-169.9	-66.5	0	0	0	0	114.7	K251 D255 L256 L257 F521 N525	K251-C253 PolarHBondContact O-N 2.9Å; C253-D255 VanDerWaalsContact C-OD1 3.24Å; C253-D255 WeakPolarHBondContact CA-OD1 3.28Å; C253-D255 PolarHBondContact O-N 2.9Å; C253-L256 HydrophobicContact CB-CD1 4.18Å; C253-L256 HydrophobicContact CB-CG 4.47Å; C253-L256 PolarHBondContact O-N 3.12Å; C253-L257 WeakPolarHBondContact O-CG 3.27Å; C253-L257 PolarHBondContact O-N 3.46Å; C253-F521 HydrophobicContact CB-CD2 4.46Å; C253-F521 HydrophobicContact CB-CE2 3.73Å; C253-F521 HydrophobicContact CB-CZ 4.45Å; C253-N525 VanDerWaalsContact SG-CA 3.57Å
254	Y	95.6	Very high	95.9	Very high	118 Å²	118	43.5 Å²	43.5	46%	0.463	22%	0.219	S	C	.	.	H	α-helix	trans	-62.8	-26.3	179.4	-73	-7.6	0	0	0	113.8	N250 K251 L257 H258 A470	N250-Y254 WeakPolarHBondContact O-CE1 3.49Å; K251-Y254 HydrophobicContact CB-CD2 4.33Å; K251-Y254 HydrophobicContact CB-CE2 3.86Å; K251-Y254 HydrophobicContact CG-CE2 3.97Å; Y254-L257 HydrophobicContact CD1-CD1 4.33Å; Y254-H258 WeakPolarHBondContact O-CB 3.14Å; Y254-H258 PolarHBondContact O-N 3.44Å; Y254-A470 HydrophobicContact CE1-CB 4.38Å
255	D	96.8	Very high	95.6	Very high	79 Å²	79	46 Å²	46	42%	0.422	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-49.1	169.4	59.5	-34.7	0	0	0	112.5	C253 H258 K259 R528	C253-D255 VanDerWaalsContact C-OD1 3.24Å; C253-D255 WeakPolarHBondContact CA-OD1 3.28Å; C253-D255 PolarHBondContact O-N 2.9Å; D255-H258 PolarHBondContact O-N 3.36Å; D255-K259 WeakPolarHBondContact O-CB 3.36Å; D255-K259 PolarHBondContact O-N 2.85Å; D255-R528 IonicContact OD1-CZ 3.88Å; D255-R528 IonicContact OD1-NH1 2.65Å; D255-R528 PolarHBondContact OD1-NH1 3.45Å; D255-R528 IonicContact OD1-NH2 2.93Å; D255-R528 IonicContact OD2-CZ 3.72Å; D255-R528 IonicContact OD2-NH1 3.14Å; D255-R528 PolarHBondContact OD2-NH1 2.97Å; D255-R528 IonicContact OD2-NH2 2.65Å; D255-R528 PolarHBondContact OD2-NH2 2.93Å
256	L	97.4	Very high	95.4	Very high	21 Å²	21	46 Å²	46	11%	0.11	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-43.5	179	-56.7	-177.1	0	0	0	110.8	C253 K259 R260 W516 F521 E524	C253-L256 HydrophobicContact CB-CD1 4.18Å; C253-L256 HydrophobicContact CB-CG 4.47Å; C253-L256 PolarHBondContact O-N 3.12Å; L256-K259 PolarHBondContact O-N 3.26Å; L256-R260 WeakPolarHBondContact O-CB 3.49Å; L256-R260 PolarHBondContact O-N 2.96Å; L256-W516 HydrophobicContact CB-CZ2 4.1Å; L256-F521 HydrophobicContact CB-CD2 4.28Å; L256-F521 HydrophobicContact CD1-CD2 4.07Å; L256-E524 HydrophobicContact CD1-CB 4Å; L256-E524 HydrophobicContact CD1-CG 3.76Å
257	L	96.1	Very high	94.8	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-66.8	-44	178.1	-70.7	163.2	0	0	0	111.2	C253 Y254 K259 R260 L261 F469 A470 M471 W516 F521	C253-L257 WeakPolarHBondContact O-CG 3.27Å; C253-L257 PolarHBondContact O-N 3.46Å; Y254-L257 HydrophobicContact CD1-CD1 4.33Å; L257-K259 PolarHBondContact O-N 3.39Å; L257-R260 PolarHBondContact O-N 3.2Å; L257-R260 VanDerWaalsContact O-N 3.08Å; L257-L261 HydrophobicContact CB-CD1 4.11Å; L257-L261 VanDerWaalsContact O-CB 3.23Å; L257-L261 WeakPolarHBondContact O-CB 3.36Å; L257-L261 WeakPolarHBondContact O-CG 3.47Å; L257-L261 PolarHBondContact O-N 2.9Å; L257-F469 VanDerWaalsContact CD1-O 3.29Å; L257-F469 WeakPolarHBondContact CD1-O 3.3Å; L257-A470 HydrophobicContact CD1-CB 3.76Å; L257-M471 HydrophobicContact CD1-CG 4.33Å; L257-M471 HydrophobicContact CD2-CG 4.29Å; L257-M471 HydrophobicContact CD2-SD 4.34Å; L257-W516 HydrophobicContact CD2-CH2 4.22Å; L257-F521 HydrophobicContact CD1-CE2 4.3Å; L257-F521 HydrophobicContact CD2-CE2 4.05Å; L257-F521 HydrophobicContact CG-CE2 3.98Å
258	H	95.9	Very high	94.4	Very high	132 Å²	132	53.6 Å²	53.6	61%	0.611	27%	0.267	S	S	*	.	H	α-helix	trans	-58.4	-46.8	174.5	-177.7	73.6	0	0	0	111.3	Y254 D255 R260 T262	Y254-H258 WeakPolarHBondContact O-CB 3.14Å; Y254-H258 PolarHBondContact O-N 3.44Å; D255-H258 PolarHBondContact O-N 3.36Å; H258-R260 VanDerWaalsContact C-N 3.29Å; H258-R260 PolarHBondContact O-N 3.21Å; H258-T262 WeakPolarHBondContact O-CB 3.46Å; H258-T262 VanDerWaalsContact O-CG2 3.28Å; H258-T262 WeakPolarHBondContact O-CG2 3.37Å; H258-T262 PolarHBondContact O-N 3.46Å; H258-T262 PolarHBondContact O-OG1 3.18Å
259	K	95.9	Very high	94.1	Very high	110 Å²	110	57.4 Å²	57.4	48%	0.478	29%	0.29	S	S	.	.	H	α-helix	trans	-58.2	-35.8	173.4	178.9	-165.8	168.3	-158.3	0	112.9	D255 L256 L257 E520	D255-K259 WeakPolarHBondContact O-CB 3.36Å; D255-K259 PolarHBondContact O-N 2.85Å; L256-K259 PolarHBondContact O-N 3.26Å; L257-K259 PolarHBondContact O-N 3.39Å; K259-E520 IonicContact NZ-OE1 3.66Å; K259-E520 IonicContact NZ-OE2 3.37Å; K259-E520 PolarHBondContact NZ-OE2 2.96Å
260	R	95.4	Very high	93.9	Very high	8 Å²	8	59.2 Å²	59.2	3%	0.03	30%	0.299	C	S	.	.	H	α-helix	trans	-85.8	-39.8	-176.9	-177.2	58.4	-171.2	96.9	-10.5	114.1	L256 L257 H258 T262 D265 M266 L510 D513 W516	L256-R260 WeakPolarHBondContact O-CB 3.49Å; L256-R260 PolarHBondContact O-N 2.96Å; L257-R260 PolarHBondContact O-N 3.2Å; L257-R260 VanDerWaalsContact O-N 3.08Å; H258-R260 VanDerWaalsContact C-N 3.29Å; H258-R260 PolarHBondContact O-N 3.21Å; R260-T262 VanDerWaalsContact C-N 3.35Å; R260-D265 IonicContact CZ-OD2 3.3Å; R260-D265 VanDerWaalsContact CZ-OD2 3.25Å; R260-D265 IonicContact NH1-OD1 2.81Å; R260-D265 PolarHBondContact NH1-OD1 2.98Å; R260-D265 IonicContact NH1-OD2 2.64Å; R260-D265 PolarHBondContact NH1-OD2 3.13Å; R260-D265 IonicContact NH2-OD2 2.69Å; R260-D265 PolarHBondContact NH2-OD2 3.32Å; R260-M266 PolarHBondContact NH1-SD 3.24Å; R260-M266 VanDerWaalsContact O-CG 3.3Å; R260-M266 WeakPolarHBondContact O-CG 3.44Å; R260-L510 HydrophobicContact CG-CD1 3.5Å; R260-L510 VanDerWaalsContact CG-CD1 3.5Å; R260-D513 IonicContact CZ-OD2 3.78Å; R260-D513 IonicContact NE-OD2 3.81Å; R260-D513 PolarHBondContact NE-OD2 3.34Å; R260-D513 IonicContact NH2-OD2 3.19Å; R260-D513 PolarHBondContact NH2-OD2 3.23Å; R260-W516 HydrophobicContact CB-CD2 4.43Å; R260-W516 HydrophobicContact CB-CH2 3.87Å; R260-W516 HydrophobicContact CB-CZ2 3.56Å; R260-W516 HydrophobicContact CB-CZ3 4.44Å; R260-W516 HydrophobicContact CG-CD2 4.01Å; R260-W516 HydrophobicContact CG-CE3 4.04Å; R260-W516 HydrophobicContact CG-CH2 4Å; R260-W516 HydrophobicContact CG-CZ2 3.97Å; R260-W516 HydrophobicContact CG-CZ3 4.05Å
261	L	93.7	Very high	93.7	Very high	47 Å²	47	64 Å²	64	25%	0.246	33%	0.33	C	S	.	.	H	α-helix	trans	-78.4	-16.9	-176.2	-64.5	171.5	0	0	0	113.1	L257 M266 M471	L257-L261 HydrophobicContact CB-CD1 4.11Å; L257-L261 VanDerWaalsContact O-CB 3.23Å; L257-L261 WeakPolarHBondContact O-CB 3.36Å; L257-L261 WeakPolarHBondContact O-CG 3.47Å; L257-L261 PolarHBondContact O-N 2.9Å; L261-M266 HydrophobicContact CD2-CE 3.78Å; L261-M266 WeakPolarHBondContact O-CB 3.42Å; L261-M471 HydrophobicContact CD1-SD 3.94Å; L261-M471 HydrophobicContact CD2-SD 4.17Å
262	T	93.7	Very high	93.5	Very high	74 Å²	74	65.5 Å²	65.5	45%	0.454	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-2.2	174.8	54	0	0	0	0	113.7	H258 R260	H258-T262 WeakPolarHBondContact O-CB 3.46Å; H258-T262 VanDerWaalsContact O-CG2 3.28Å; H258-T262 WeakPolarHBondContact O-CG2 3.37Å; H258-T262 PolarHBondContact O-N 3.46Å; H258-T262 PolarHBondContact O-OG1 3.18Å; R260-T262 VanDerWaalsContact C-N 3.35Å
263	K	93.8	Very high	93.4	Very high	75 Å²	75	65.5 Å²	65.5	33%	0.326	34%	0.343	S	S	.	.	S	Bend	trans	-65.8	147.8	173.3	-65.1	-167.9	-164.6	164.6	0	110.7	D265 M266 D513	K263-D265 VanDerWaalsContact C-N 3.27Å; K263-D265 WeakPolarHBondContact CB-OD1 3.44Å; K263-D265 PolarHBondContact O-N 3.07Å; K263-D265 VanDerWaalsContact O-N 3.15Å; K263-M266 HydrophobicContact CB-CG 4.43Å; K263-M266 WeakPolarHBondContact O-CB 3.46Å; K263-M266 PolarHBondContact O-N 2.72Å; K263-D513 IonicContact NZ-OD2 3.25Å
264	P	92.4	Very high	93.3	Very high	114 Å²	114	71.6 Å²	71.6	74%	0.74	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-57.7	-30.2	-176	-28.1	36.2	0	0	0	115.8	M266 L267	P264-M266 PolarHBondContact O-N 3.11Å; P264-L267 PolarHBondContact O-N 2.98Å
265	D	91.9	Very high	93.1	Very high	57 Å²	57	72.4 Å²	72.4	31%	0.305	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-63	-23.6	177.2	60.6	-54.5	0	0	0	113.3	R260 K263 H505	R260-D265 IonicContact CZ-OD2 3.3Å; R260-D265 VanDerWaalsContact CZ-OD2 3.25Å; R260-D265 IonicContact NH1-OD1 2.81Å; R260-D265 PolarHBondContact NH1-OD1 2.98Å; R260-D265 IonicContact NH1-OD2 2.64Å; R260-D265 PolarHBondContact NH1-OD2 3.13Å; R260-D265 IonicContact NH2-OD2 2.69Å; R260-D265 PolarHBondContact NH2-OD2 3.32Å; K263-D265 VanDerWaalsContact C-N 3.27Å; K263-D265 WeakPolarHBondContact CB-OD1 3.44Å; K263-D265 PolarHBondContact O-N 3.07Å; K263-D265 VanDerWaalsContact O-N 3.15Å; D265-H505 PolarHBondContact O-NE2 2.94Å
266	M	92.7	Very high	92.7	Very high	1 Å²	1	78.5 Å²	78.5	1%	0.005	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-89.4	-19.6	179.9	-49.9	-56.9	-93.9	0	0	113	R260 L261 K263 P264 Q506 Q509 L510	R260-M266 PolarHBondContact NH1-SD 3.24Å; R260-M266 VanDerWaalsContact O-CG 3.3Å; R260-M266 WeakPolarHBondContact O-CG 3.44Å; L261-M266 HydrophobicContact CD2-CE 3.78Å; L261-M266 WeakPolarHBondContact O-CB 3.42Å; K263-M266 HydrophobicContact CB-CG 4.43Å; K263-M266 WeakPolarHBondContact O-CB 3.46Å; K263-M266 PolarHBondContact O-N 2.72Å; P264-M266 PolarHBondContact O-N 3.11Å; M266-Q506 HydrophobicContact CB-CG 4.37Å; M266-Q506 WeakPolarHBondContact CE-O 3.37Å; M266-Q506 WeakPolarHBondContact O-CG 3.22Å; M266-Q506 PolarHBondContact O-NE2 2.99Å; M266-Q509 HydrophobicContact SD-CB 3.59Å; M266-Q509 VanDerWaalsContact SD-CB 3.59Å; M266-Q509 HydrophobicContact SD-CG 4.49Å; M266-L510 HydrophobicContact CE-CB 3.89Å; M266-L510 HydrophobicContact CE-CD1 4.05Å
267	L	85.5	Confident	92.1	Very high	108 Å²	108	78.6 Å²	78.6	57%	0.565	41%	0.405	S	S	*	.	S	Bend	trans	-103.5	25.1	-176	-57	-178.6	0	0	0	111.7	P264	P264-L267 PolarHBondContact O-N 2.98Å
268	H	87.1	Confident	91.9	Very high	84 Å²	84	81.8 Å²	81.8	39%	0.389	42%	0.422	S	S	.	.			trans	-85.4	133.3	-180	-169.1	53.9	0	0	0	111.3	E270 H505	H268-E270 IonicContact CD2-OE1 3.34Å; H268-E270 IonicContact CE1-OE1 2.63Å; H268-E270 WeakPolarHBondContact NE2-CG 3.13Å; H268-E270 IonicContact NE2-OE1 3.71Å; H268-E270 PolarHBondContact NE2-OE1 3.16Å; H268-H505 AromaticContact CD2-CE1 3.93Å
269	V	89.9	Confident	91.8	Very high	86 Å²	86	80.2 Å²	80.2	52%	0.521	41%	0.411	S	S	.	.			trans	-135.6	99.8	-178.8	-175.2	0	0	0	0	109.2	L274 T502	V269-L274 HydrophobicContact CG1-CD1 4.45Å; V269-L274 HydrophobicContact CG1-CD2 3.9Å; V269-L274 HydrophobicContact CG1-CG 4.28Å; V269-T502 HydrophobicContact CB-CG2 4.48Å; V269-T502 HydrophobicContact CG1-CG2 4.04Å; V269-T502 HydrophobicContact CG2-CG2 3.97Å
270	E	90.6	Very high	91.8	Very high	91 Å²	91	75.4 Å²	75.4	43%	0.425	39%	0.391	S	S	.	.			trans	-89	151.6	172	-60.6	-170.7	174	0	0	111.2	H268 S272 L273	H268-E270 IonicContact CD2-OE1 3.34Å; H268-E270 IonicContact CE1-OE1 2.63Å; H268-E270 WeakPolarHBondContact NE2-CG 3.13Å; H268-E270 IonicContact NE2-OE1 3.71Å; H268-E270 PolarHBondContact NE2-OE1 3.16Å; E270-S272 VanDerWaalsContact CB-OG 3.27Å; E270-S272 WeakPolarHBondContact CB-OG 3.44Å; E270-S272 PolarHBondContact O-N 2.91Å; E270-S272 PolarHBondContact OE2-OG 2.9Å; E270-L273 HydrophobicContact CB-CG 4.34Å; E270-L273 WeakPolarHBondContact O-CB 3.34Å; E270-L273 PolarHBondContact O-N 3.35Å
271	P	93.6	Very high	91.8	Very high	101 Å²	101	75.2 Å²	75.2	66%	0.656	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-57.1	-23.2	175.5	-26.2	35.4	0	0	0	114.5	L274	P271-L274 PolarHBondContact O-N 2.98Å
272	S	92.2	Very high	92	Very high	53 Å²	53	74.3 Å²	74.3	37%	0.371	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-67.3	-32.8	173.1	50.5	0	0	0	0	113.2	E270 L274 Q275	E270-S272 VanDerWaalsContact CB-OG 3.27Å; E270-S272 WeakPolarHBondContact CB-OG 3.44Å; E270-S272 PolarHBondContact O-N 2.91Å; E270-S272 PolarHBondContact OE2-OG 2.9Å; S272-L274 PolarHBondContact O-N 3.06Å; S272-Q275 PolarHBondContact O-N 2.99Å
273	L	94.4	Very high	92.1	Very high	12 Å²	12	73.1 Å²	73.1	6%	0.063	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-78.9	-6.4	178.9	-57.1	-178.3	0	0	0	113.2	E270 F284 T502 H505	E270-L273 HydrophobicContact CB-CG 4.34Å; E270-L273 WeakPolarHBondContact O-CB 3.34Å; E270-L273 PolarHBondContact O-N 3.35Å; L273-F284 HydrophobicContact CD2-CE1 3.8Å; L273-F284 HydrophobicContact CD2-CZ 3.81Å; L273-T502 HydrophobicContact CB-CG2 4.38Å; L273-H505 HydrophobicContact CD1-CB 3.72Å; L273-H505 HydrophobicContact CD2-CB 4.4Å
274	L	93.9	Very high	92.2	Very high	127 Å²	127	72.4 Å²	72.4	67%	0.665	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-98.4	1.6	175.8	-54.5	-179.1	0	0	0	112.6	V269 P271 S272	V269-L274 HydrophobicContact CG1-CD1 4.45Å; V269-L274 HydrophobicContact CG1-CD2 3.9Å; V269-L274 HydrophobicContact CG1-CG 4.28Å; P271-L274 PolarHBondContact O-N 2.98Å; S272-L274 PolarHBondContact O-N 3.06Å
275	Q	91.7	Very high	92.5	Very high	135 Å²	135	67 Å²	67	63%	0.631	35%	0.346	S	S	*	.	S	Bend	trans	-103.1	165.8	179	-63.6	175.7	15.5	0	0	110.6	S272 A277	S272-Q275 PolarHBondContact O-N 2.99Å; Q275-A277 PolarHBondContact O-N 3.03Å
276	Y	88	Confident	92.8	Very high	207 Å²	207	65.3 Å²	65.3	81%	0.812	34%	0.335	S	S	*	.			trans	-64.7	131.8	171.3	-69.9	-64.3	0	0	0	110.6	W279	Y276-W279 AromaticContact CD1-CH2 3.44Å; Y276-W279 HydrophobicContact CD1-CH2 3.44Å; Y276-W279 VanDerWaalsContact CD1-CH2 3.44Å; Y276-W279 HydrophobicContact CD1-CZ2 4.5Å; Y276-W279 AromaticContact CD1-CZ3 3.87Å; Y276-W279 HydrophobicContact CD1-CZ3 3.87Å; Y276-W279 HydrophobicContact CE1-CH2 4.03Å; Y276-W279 AromaticContact CG-CH2 3.85Å; Y276-W279 HydrophobicContact CG-CH2 3.85Å
277	A	84.9	Confident	93.1	Very high	23 Å²	23	69.3 Å²	69.3	19%	0.19	35%	0.354	C	S	.	.			trans	-83.1	174.2	176.7	0	0	0	0	0	111.6	Q275 W279	Q275-A277 PolarHBondContact O-N 3.03Å; A277-W279 PolarHBondContact O-N 2.83Å
278	D	91.9	Very high	93.7	Very high	72 Å²	72	64.8 Å²	64.8	39%	0.385	33%	0.33	S	S	.	.			trans	-51	130	151.1	177.6	-17.6	0	0	0	109.4	T280 G281 R286	D278-T280 PolarHBondContact O-N 2.67Å; D278-T280 WeakPolarHBondContact OD1-CB 3.35Å; D278-T280 PolarHBondContact OD1-N 2.69Å; D278-T280 PolarHBondContact OD1-OG1 2.81Å; D278-T280 PolarHBondContact OD2-OG1 2.98Å; D278-G281 CarbonylContact O-C 3.57Å; D278-G281 WeakPolarHBondContact O-CA 3.37Å; D278-G281 PolarHBondContact O-N 2.89Å; D278-R286 IonicContact OD2-CZ 2.6Å; D278-R286 IonicContact OD2-NE 3.69Å; D278-R286 IonicContact OD2-NH2 2.76Å; D278-R286 PolarHBondContact OD2-NH2 3.46Å
279	W	94.5	Very high	94.3	Very high	99 Å²	99	60.8 Å²	60.8	38%	0.375	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.2	-176.5	-56.7	125.9	0	0	0	114	Y276 A277 A491	Y276-W279 AromaticContact CD1-CH2 3.44Å; Y276-W279 HydrophobicContact CD1-CH2 3.44Å; Y276-W279 VanDerWaalsContact CD1-CH2 3.44Å; Y276-W279 HydrophobicContact CD1-CZ2 4.5Å; Y276-W279 AromaticContact CD1-CZ3 3.87Å; Y276-W279 HydrophobicContact CD1-CZ3 3.87Å; Y276-W279 HydrophobicContact CE1-CH2 4.03Å; Y276-W279 AromaticContact CG-CH2 3.85Å; Y276-W279 HydrophobicContact CG-CH2 3.85Å; A277-W279 PolarHBondContact O-N 2.83Å; W279-A491 WeakPolarHBondContact CB-O 3.32Å
280	T	96.3	Very high	94.7	Very high	10 Å²	10	56.9 Å²	56.9	6%	0.061	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3.8	165.6	65	0	0	0	0	113	D278 R286 V309 V310 V487 A491	D278-T280 PolarHBondContact O-N 2.67Å; D278-T280 WeakPolarHBondContact OD1-CB 3.35Å; D278-T280 PolarHBondContact OD1-N 2.69Å; D278-T280 PolarHBondContact OD1-OG1 2.81Å; D278-T280 PolarHBondContact OD2-OG1 2.98Å; T280-R286 WeakPolarHBondContact OG1-CD 3.5Å; T280-R286 PolarHBondContact OG1-NE 3.13Å; T280-V309 HydrophobicContact CG2-CG2 4.32Å; T280-V310 PolarHBondContact O-N 3.44Å; T280-V487 HydrophobicContact CG2-CG1 4.07Å; T280-A491 HydrophobicContact CG2-CB 3.75Å
281	G	95.9	Very high	95.1	Very high	4 Å²	4	56.8 Å²	56.8	4%	0.041	29%	0.286	C	S	.	.			trans	101.9	153.1	-170.3	0	0	0	0	0	112	D278 A283 R286	D278-G281 CarbonylContact O-C 3.57Å; D278-G281 WeakPolarHBondContact O-CA 3.37Å; D278-G281 PolarHBondContact O-N 2.89Å; G281-A283 PolarHBondContact O-N 3.19Å; G281-R286 PolarHBondContact O-NE 3.35Å
282	H	96.3	Very high	95.3	Very high	27 Å²	27	52 Å²	52	13%	0.125	26%	0.255	C	S	.	.			trans	-56.7	134.9	178.7	-76.5	-76.2	0	0	0	111	F284 L285 R286	H282-F284 HydrophobicContact CB-CD1 3.74Å; H282-F284 HydrophobicContact CB-CD2 4.48Å; H282-F284 HydrophobicContact CB-CE1 3.4Å; H282-F284 VanDerWaalsContact CB-CE1 3.4Å; H282-F284 HydrophobicContact CB-CE2 4.17Å; H282-F284 HydrophobicContact CB-CG 4.26Å; H282-F284 HydrophobicContact CB-CZ 3.63Å; H282-F284 AromaticContact CD2-CE1 3.86Å; H282-F284 AromaticContact CD2-CZ 3.73Å; H282-F284 AromaticContact CG-CE1 3.47Å; H282-F284 VanDerWaalsContact CG-CE1 3.47Å; H282-F284 AromaticContact CG-CZ 3.75Å; H282-F284 AromaticContact ND1-CE1 3.81Å; H282-F284 PolarHBondContact O-N 3.39Å; H282-F284 VanDerWaalsContact O-N 3.13Å; H282-L285 PolarHBondContact O-N 3.48Å; H282-R286 PolarHBondContact O-N 3.18Å
283	A	96.8	Very high	95.6	Very high	50 Å²	50	49.7 Å²	49.7	41%	0.413	24%	0.238	S	C	.	.	H	α-helix	trans	-51.6	-39.9	-179.6	0	0	0	0	0	113.2	G281 L285 R286 E287	G281-A283 PolarHBondContact O-N 3.19Å; A283-L285 VanDerWaalsContact C-N 3.27Å; A283-L285 PolarHBondContact O-N 2.94Å; A283-R286 PolarHBondContact O-N 2.87Å; A283-E287 WeakPolarHBondContact O-CB 3.1Å; A283-E287 PolarHBondContact O-N 3.48Å
284	F	96.6	Very high	95.8	Very high	59 Å²	59	50.2 Å²	50.2	26%	0.259	24%	0.243	S	C	.	.	H	α-helix	trans	-61.3	-32.8	177.5	67.9	-109.7	0	0	0	113	L273 H282 E288 Q504 H505 A508	L273-F284 HydrophobicContact CD2-CE1 3.8Å; L273-F284 HydrophobicContact CD2-CZ 3.81Å; H282-F284 HydrophobicContact CB-CD1 3.74Å; H282-F284 HydrophobicContact CB-CD2 4.48Å; H282-F284 HydrophobicContact CB-CE1 3.4Å; H282-F284 VanDerWaalsContact CB-CE1 3.4Å; H282-F284 HydrophobicContact CB-CE2 4.17Å; H282-F284 HydrophobicContact CB-CG 4.26Å; H282-F284 HydrophobicContact CB-CZ 3.63Å; H282-F284 AromaticContact CD2-CE1 3.86Å; H282-F284 AromaticContact CD2-CZ 3.73Å; H282-F284 AromaticContact CG-CE1 3.47Å; H282-F284 VanDerWaalsContact CG-CE1 3.47Å; H282-F284 AromaticContact CG-CZ 3.75Å; H282-F284 AromaticContact ND1-CE1 3.81Å; H282-F284 PolarHBondContact O-N 3.39Å; H282-F284 VanDerWaalsContact O-N 3.13Å; F284-E288 WeakPolarHBondContact O-CG 3.45Å; F284-E288 PolarHBondContact O-N 3.21Å; F284-Q504 HydrophobicContact CE2-CB 4.35Å; F284-Q504 HydrophobicContact CZ-CB 4.35Å; F284-H505 HydrophobicContact CE2-CB 4.26Å; F284-H505 HydrophobicContact CZ-CB 4.24Å; F284-A508 HydrophobicContact CD2-CB 3.56Å; F284-A508 HydrophobicContact CE2-CB 3.81Å
285	L	97.9	Very high	96	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-79.2	-43.7	176.2	175	61.7	0	0	0	110.3	H282 A283 E287 E288 V289 V310 I476 Q504 V507 A508 L511	H282-L285 PolarHBondContact O-N 3.48Å; A283-L285 VanDerWaalsContact C-N 3.27Å; A283-L285 PolarHBondContact O-N 2.94Å; L285-E287 PolarHBondContact O-N 3.19Å; L285-E288 PolarHBondContact O-N 2.69Å; L285-E288 VanDerWaalsContact O-N 3.17Å; L285-V289 HydrophobicContact CD1-CG2 3.91Å; L285-V289 HydrophobicContact CG-CG2 4.23Å; L285-V289 WeakPolarHBondContact O-CB 3.23Å; L285-V289 VanDerWaalsContact O-CG2 3.3Å; L285-V289 WeakPolarHBondContact O-CG2 3.43Å; L285-V289 PolarHBondContact O-N 3.05Å; L285-V310 HydrophobicContact CD2-CG1 3.9Å; L285-V310 HydrophobicContact CD2-CG2 4.3Å; L285-V310 HydrophobicContact CG-CG2 4.48Å; L285-I476 HydrophobicContact CD2-CD1 3.88Å; L285-Q504 HydrophobicContact CD2-CB 3.76Å; L285-Q504 HydrophobicContact CD2-CG 3.77Å; L285-V507 HydrophobicContact CD1-CB 4.21Å; L285-V507 HydrophobicContact CD1-CG1 3.82Å; L285-A508 HydrophobicContact CB-CB 4.37Å; L285-A508 HydrophobicContact CD1-CB 4.1Å; L285-L511 HydrophobicContact CD1-CD1 4.47Å
286	R	98.5	Very high	96.2	Very high	23 Å²	23	45 Å²	45	9%	0.087	22%	0.215	C	C	.	.	H	α-helix	trans	-56.3	-38.7	175.1	-67.3	-164	-76.6	115	-15.4	111.8	D278 T280 G281 H282 A283 A290 A305 V308 V310	D278-R286 IonicContact OD2-CZ 2.6Å; D278-R286 IonicContact OD2-NE 3.69Å; D278-R286 IonicContact OD2-NH2 2.76Å; D278-R286 PolarHBondContact OD2-NH2 3.46Å; T280-R286 WeakPolarHBondContact OG1-CD 3.5Å; T280-R286 PolarHBondContact OG1-NE 3.13Å; G281-R286 PolarHBondContact O-NE 3.35Å; H282-R286 PolarHBondContact O-N 3.18Å; A283-R286 PolarHBondContact O-N 2.87Å; R286-A290 VanDerWaalsContact O-CB 3.29Å; R286-A290 WeakPolarHBondContact O-CB 3.49Å; R286-A290 PolarHBondContact O-N 3.09Å; R286-A305 HydrophobicContact CB-CB 4.12Å; R286-A305 VanDerWaalsContact NH1-C 3.31Å; R286-A305 PolarHBondContact NH1-O 3.42Å; R286-V308 HydrophobicContact CB-CB 4.16Å; R286-V308 HydrophobicContact CB-CG1 4.32Å; R286-V308 WeakPolarHBondContact CD-O 3.44Å; R286-V308 HydrophobicContact CG-CB 4.26Å; R286-V308 HydrophobicContact CG-CG1 4.16Å; R286-V310 HydrophobicContact CG-CG2 4.03Å
287	E	98.7	Very high	96.7	Very high	85 Å²	85	35.4 Å²	35.4	40%	0.397	18%	0.178	S	C	.	.	H	α-helix	trans	-60.9	-55	170.8	-88.1	-170.8	-125.1	0	0	113.7	A283 L285 V289 A290 K291 A305	A283-E287 WeakPolarHBondContact O-CB 3.1Å; A283-E287 PolarHBondContact O-N 3.48Å; L285-E287 PolarHBondContact O-N 3.19Å; E287-V289 VanDerWaalsContact C-N 3.29Å; E287-V289 PolarHBondContact O-N 3.25Å; E287-A290 PolarHBondContact O-N 3.39Å; E287-K291 WeakPolarHBondContact O-CB 3.24Å; E287-K291 WeakPolarHBondContact O-CD 3.29Å; E287-K291 WeakPolarHBondContact O-CG 3.31Å; E287-K291 PolarHBondContact O-N 2.82Å; E287-K291 WeakPolarHBondContact OE2-CE 3.34Å; E287-K291 IonicContact OE2-NZ 2.71Å; E287-K291 PolarHBondContact OE2-NZ 3.39Å; E287-A305 HydrophobicContact CG-CB 4.02Å
288	E	98.7	Very high	97.2	Very high	12 Å²	12	39 Å²	39	6%	0.056	20%	0.201	C	C	.	.	H	α-helix	trans	-67.8	-30.9	-177.4	-61.2	-55.1	155.8	0	0	111.9	F284 L285 K291 F292 A508 L511 R512	F284-E288 WeakPolarHBondContact O-CG 3.45Å; F284-E288 PolarHBondContact O-N 3.21Å; L285-E288 PolarHBondContact O-N 2.69Å; L285-E288 VanDerWaalsContact O-N 3.17Å; E288-K291 IonicContact OE1-NZ 3.8Å; E288-K291 PolarHBondContact OE1-NZ 3.01Å; E288-K291 WeakPolarHBondContact OE2-CD 3.34Å; E288-K291 IonicContact OE2-NZ 2.89Å; E288-F292 WeakPolarHBondContact O-CB 3.43Å; E288-F292 PolarHBondContact O-N 3.19Å; E288-A508 HydrophobicContact CG-CB 4.35Å; E288-L511 HydrophobicContact CB-CB 4.1Å; E288-R512 IonicContact OE1-CZ 3.98Å; E288-R512 IonicContact OE1-NE 3.39Å; E288-R512 PolarHBondContact OE1-NE 3.04Å; E288-R512 IonicContact OE1-NH2 2.67Å; E288-R512 PolarHBondContact OE1-NH2 2.98Å
289	V	98.7	Very high	97.5	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-48.5	169	170.3	0	0	0	0	111.1	L285 E287 K291 F292 L293 V308 T478 L511	L285-V289 HydrophobicContact CD1-CG2 3.91Å; L285-V289 HydrophobicContact CG-CG2 4.23Å; L285-V289 WeakPolarHBondContact O-CB 3.23Å; L285-V289 VanDerWaalsContact O-CG2 3.3Å; L285-V289 WeakPolarHBondContact O-CG2 3.43Å; L285-V289 PolarHBondContact O-N 3.05Å; E287-V289 VanDerWaalsContact C-N 3.29Å; E287-V289 PolarHBondContact O-N 3.25Å; V289-K291 PolarHBondContact O-N 3.04Å; V289-F292 WeakPolarHBondContact O-CB 3.39Å; V289-F292 PolarHBondContact O-N 3.3Å; V289-F292 VanDerWaalsContact O-N 3.17Å; V289-L293 HydrophobicContact CG1-CD1 3.84Å; V289-L293 HydrophobicContact CG1-CG 4.29Å; V289-L293 WeakPolarHBondContact O-CG 3.49Å; V289-L293 PolarHBondContact O-N 3.47Å; V289-V308 HydrophobicContact CB-CG1 4.19Å; V289-V308 HydrophobicContact CG1-CG1 3.74Å; V289-V308 HydrophobicContact CG1-CG2 4.19Å; V289-T478 HydrophobicContact CG1-CG2 3.9Å; V289-T478 HydrophobicContact CG2-CG2 3.95Å; V289-L511 HydrophobicContact CG2-CD1 3.75Å
290	A	98.7	Very high	97.6	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.033	20%	0.195	C	C	.	.	H	α-helix	trans	-61.7	-42.8	178.2	0	0	0	0	0	111.8	R286 E287 S294 L303 V308	R286-A290 VanDerWaalsContact O-CB 3.29Å; R286-A290 WeakPolarHBondContact O-CB 3.49Å; R286-A290 PolarHBondContact O-N 3.09Å; E287-A290 PolarHBondContact O-N 3.39Å; A290-S294 VanDerWaalsContact O-CB 3.31Å; A290-S294 WeakPolarHBondContact O-CB 3.47Å; A290-S294 PolarHBondContact O-N 3.4Å; A290-S294 PolarHBondContact O-OG 2.89Å; A290-L303 HydrophobicContact CB-CB 4.35Å; A290-V308 HydrophobicContact CB-CG2 4.11Å
291	K	98.6	Very high	97.5	Very high	88 Å²	88	41.3 Å²	41.3	38%	0.383	22%	0.22	S	C	.	.	H	α-helix	trans	-63.5	-38.4	173.5	-65.2	162.5	-158.4	169.5	0	111.9	E287 E288 V289 H295	E287-K291 WeakPolarHBondContact O-CB 3.24Å; E287-K291 WeakPolarHBondContact O-CD 3.29Å; E287-K291 WeakPolarHBondContact O-CG 3.31Å; E287-K291 PolarHBondContact O-N 2.82Å; E287-K291 WeakPolarHBondContact OE2-CE 3.34Å; E287-K291 IonicContact OE2-NZ 2.71Å; E287-K291 PolarHBondContact OE2-NZ 3.39Å; E288-K291 IonicContact OE1-NZ 3.8Å; E288-K291 PolarHBondContact OE1-NZ 3.01Å; E288-K291 WeakPolarHBondContact OE2-CD 3.34Å; E288-K291 IonicContact OE2-NZ 2.89Å; V289-K291 PolarHBondContact O-N 3.04Å; K291-H295 PolarHBondContact O-N 2.8Å
292	F	98.6	Very high	97.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.1	-55.4	178	179.8	-104.2	0	0	0	111.7	E288 V289 S294 H295 H296 M434 L435 W463 F469 L511 R514 I517	E288-F292 WeakPolarHBondContact O-CB 3.43Å; E288-F292 PolarHBondContact O-N 3.19Å; V289-F292 WeakPolarHBondContact O-CB 3.39Å; V289-F292 PolarHBondContact O-N 3.3Å; V289-F292 VanDerWaalsContact O-N 3.17Å; F292-S294 VanDerWaalsContact C-N 3.31Å; F292-S294 PolarHBondContact O-N 3.06Å; F292-H295 PolarHBondContact O-N 2.82Å; F292-H295 VanDerWaalsContact O-N 3.16Å; F292-H296 AromaticContact CD2-CD2 3.23Å; F292-H296 WeakPolarHBondContact CD2-CD2 3.34Å; F292-H296 AromaticContact CD2-NE2 3.59Å; F292-H296 AromaticContact CE2-CD2 3.19Å; F292-H296 WeakPolarHBondContact CE2-CD2 3.44Å; F292-H296 AromaticContact CE2-CE1 3.96Å; F292-H296 AromaticContact CE2-CG 3.82Å; F292-H296 AromaticContact CE2-NE2 3.32Å; F292-H296 VanDerWaalsContact CE2-NE2 3.32Å; F292-H296 WeakPolarHBondContact CE2-NE2 3.21Å; F292-H296 AromaticContact CG-CD2 3.92Å; F292-H296 HydrophobicContact CZ-CB 4.49Å; F292-H296 AromaticContact CZ-CD2 3.85Å; F292-H296 WeakPolarHBondContact O-CB 3.42Å; F292-H296 PolarHBondContact O-CD2 2.94Å; F292-H296 PolarHBondContact O-N 3.32Å; F292-M434 HydrophobicContact CD1-CE 4.32Å; F292-M434 HydrophobicContact CE1-CE 3.6Å; F292-M434 HydrophobicContact CZ-CE 4.37Å; F292-L435 HydrophobicContact CE1-CD1 4.17Å; F292-L435 HydrophobicContact CE2-CD1 4.38Å; F292-L435 HydrophobicContact CZ-CD1 3.48Å; F292-L435 VanDerWaalsContact CZ-CD1 3.48Å; F292-W463 HydrophobicContact CD1-CE3 4.43Å; F292-W463 AromaticContact CD1-CH2 3.7Å; F292-W463 HydrophobicContact CD1-CH2 3.7Å; F292-W463 HydrophobicContact CD1-CZ2 4.11Å; F292-W463 AromaticContact CD1-CZ3 3.88Å; F292-W463 HydrophobicContact CD1-CZ3 3.88Å; F292-W463 HydrophobicContact CE1-CD2 4.44Å; F292-W463 AromaticContact CE1-CE2 3.87Å; F292-W463 HydrophobicContact CE1-CE3 4.45Å; F292-W463 AromaticContact CE1-CH2 3.34Å; F292-W463 HydrophobicContact CE1-CH2 3.34Å; F292-W463 AromaticContact CE1-CZ2 3.32Å; F292-W463 HydrophobicContact CE1-CZ2 3.32Å; F292-W463 AromaticContact CE1-CZ3 3.94Å; F292-W463 HydrophobicContact CE1-CZ3 3.94Å; F292-W463 HydrophobicContact CZ-CH2 4.13Å; F292-W463 AromaticContact CZ-CZ2 3.99Å; F292-W463 HydrophobicContact CZ-CZ2 3.99Å; F292-F469 HydrophobicContact CE1-CE2 4.15Å; F292-F469 HydrophobicContact CE2-CE2 4.01Å; F292-F469 AromaticContact CE2-CZ 3.82Å; F292-F469 HydrophobicContact CE2-CZ 3.82Å; F292-F469 AromaticContact CZ-CE2 3.46Å; F292-F469 HydrophobicContact CZ-CE2 3.46Å; F292-F469 VanDerWaalsContact CZ-CE2 3.46Å; F292-F469 AromaticContact CZ-CZ 3.71Å; F292-F469 HydrophobicContact CZ-CZ 3.71Å; F292-L511 HydrophobicContact CB-CD2 4.49Å; F292-L511 HydrophobicContact CD1-CD2 4.21Å; F292-L511 HydrophobicContact CD2-CD2 3.74Å; F292-L511 HydrophobicContact CE1-CD2 4.34Å; F292-L511 HydrophobicContact CE2-CD2 3.88Å; F292-L511 HydrophobicContact CG-CD2 3.9Å; F292-L511 HydrophobicContact CZ-CD2 4.17Å; F292-R514 VanDerWaalsContact CA-NH2 3.33Å; F292-I517 HydrophobicContact CE2-CD1 4.22Å; F292-I517 HydrophobicContact CE2-CG2 4.45Å
293	L	98.4	Very high	97.7	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-37.9	179.3	-64.5	176.8	0	0	0	111.2	V289 H295 C297 L303 M434 L448 W463	V289-L293 HydrophobicContact CG1-CD1 3.84Å; V289-L293 HydrophobicContact CG1-CG 4.29Å; V289-L293 WeakPolarHBondContact O-CG 3.49Å; V289-L293 PolarHBondContact O-N 3.47Å; L293-H295 VanDerWaalsContact C-N 3.27Å; L293-H295 PolarHBondContact O-N 2.89Å; L293-C297 WeakPolarHBondContact O-CA 3.27Å; L293-C297 WeakPolarHBondContact O-CB 3.34Å; L293-C297 PolarHBondContact O-N 3.37Å; L293-C297 PolarHBondContact O-SG 3.41Å; L293-C297 VanDerWaalsContact O-SG 3.41Å; L293-L303 HydrophobicContact CB-CD1 3.55Å; L293-M434 HydrophobicContact CD2-CE 3.66Å; L293-L448 HydrophobicContact CB-CD1 4.3Å; L293-L448 HydrophobicContact CD1-CD1 4.39Å; L293-W463 HydrophobicContact CD2-CB 4.29Å; L293-W463 HydrophobicContact CD2-CD2 3.97Å; L293-W463 HydrophobicContact CD2-CE3 3.97Å; L293-W463 HydrophobicContact CD2-CG 4.06Å
294	S	98.3	Very high	97.7	Very high	24 Å²	24	51.4 Å²	51.4	17%	0.168	26%	0.262	C	S	.	.	H	α-helix	trans	-54.5	-43.4	174.3	-60.3	0	0	0	0	112.5	A290 F292 S299 L303	A290-S294 VanDerWaalsContact O-CB 3.31Å; A290-S294 WeakPolarHBondContact O-CB 3.47Å; A290-S294 PolarHBondContact O-N 3.4Å; A290-S294 PolarHBondContact O-OG 2.89Å; F292-S294 VanDerWaalsContact C-N 3.31Å; F292-S294 PolarHBondContact O-N 3.06Å; S294-S299 PolarHBondContact O-N 3.28Å; S294-L303 WeakPolarHBondContact OG-CB 3.47Å; S294-L303 WeakPolarHBondContact OG-CG 3.45Å; S294-L303 PolarHBondContact OG-N 3.47Å
295	H	97.8	Very high	97.8	Very high	126 Å²	126	49.5 Å²	49.5	58%	0.583	26%	0.257	S	S	*	.	H	α-helix	trans	-78.9	-53.1	-178.9	-176.7	71.7	0	0	0	112.4	K291 F292 L293 C298 N518	K291-H295 PolarHBondContact O-N 2.8Å; F292-H295 PolarHBondContact O-N 2.82Å; F292-H295 VanDerWaalsContact O-N 3.16Å; L293-H295 VanDerWaalsContact C-N 3.27Å; L293-H295 PolarHBondContact O-N 2.89Å; H295-C298 PolarHBondContact O-N 2.91Å; H295-N518 PolarHBondContact NE2-ND2 2.8Å
296	H	97	Very high	97.8	Very high	26 Å²	26	53.4 Å²	53.4	12%	0.12	28%	0.278	C	S	.	.	H	α-helix	trans	-78.3	-27.5	-171.1	-74.9	-86.3	0	0	0	114	F292 C298 M434 L435 N518	F292-H296 AromaticContact CD2-CD2 3.23Å; F292-H296 WeakPolarHBondContact CD2-CD2 3.34Å; F292-H296 AromaticContact CD2-NE2 3.59Å; F292-H296 AromaticContact CE2-CD2 3.19Å; F292-H296 WeakPolarHBondContact CE2-CD2 3.44Å; F292-H296 AromaticContact CE2-CE1 3.96Å; F292-H296 AromaticContact CE2-CG 3.82Å; F292-H296 AromaticContact CE2-NE2 3.32Å; F292-H296 VanDerWaalsContact CE2-NE2 3.32Å; F292-H296 WeakPolarHBondContact CE2-NE2 3.21Å; F292-H296 AromaticContact CG-CD2 3.92Å; F292-H296 HydrophobicContact CZ-CB 4.49Å; F292-H296 AromaticContact CZ-CD2 3.85Å; F292-H296 WeakPolarHBondContact O-CB 3.42Å; F292-H296 PolarHBondContact O-CD2 2.94Å; F292-H296 PolarHBondContact O-N 3.32Å; H296-C298 VanDerWaalsContact C-N 3.27Å; H296-M434 HydrophobicContact CB-CE 4.35Å; H296-L435 HydrophobicContact CB-CD2 4.25Å; H296-N518 PolarHBondContact CE1-OD1 2.96Å
297	C	97.2	Very high	97.8	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.034	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	4.4	171.1	-52.6	0	0	0	0	112.4	L293 S299 M434 S446 L448 S449	L293-C297 WeakPolarHBondContact O-CA 3.27Å; L293-C297 WeakPolarHBondContact O-CB 3.34Å; L293-C297 PolarHBondContact O-N 3.37Å; L293-C297 PolarHBondContact O-SG 3.41Å; L293-C297 VanDerWaalsContact O-SG 3.41Å; C297-S299 VanDerWaalsContact C-N 3.3Å; C297-S299 PolarHBondContact O-N 3.39Å; C297-M434 VanDerWaalsContact SG-SD 3.69Å; C297-S446 WeakPolarHBondContact CB-OG 3.43Å; C297-L448 HydrophobicContact CB-CB 3.87Å; C297-L448 HydrophobicContact CB-CD1 4.45Å; C297-S449 WeakPolarHBondContact O-CB 3.5Å
298	C	96.8	Very high	97.8	Very high	100 Å²	100	49.3 Å²	49.3	68%	0.676	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	46.5	-175.9	-62.6	0	0	0	0	113	H295 H296	H295-C298 PolarHBondContact O-N 2.91Å; H296-C298 VanDerWaalsContact C-N 3.27Å
299	S	97.3	Very high	97.8	Very high	24 Å²	24	48.7 Å²	48.7	17%	0.168	26%	0.258	C	S	.	.			trans	-73.1	131.4	-173.1	-161.2	0	0	0	0	111.5	S294 C297 K301 L303 L448	S294-S299 PolarHBondContact O-N 3.28Å; C297-S299 VanDerWaalsContact C-N 3.3Å; C297-S299 PolarHBondContact O-N 3.39Å; S299-K301 PolarHBondContact O-N 3.14Å; S299-K301 VanDerWaalsContact O-N 3.11Å; S299-K301 PolarHBondContact OG-O 3.02Å; S299-L303 WeakPolarHBondContact OG-CD2 3.39Å; S299-L448 VanDerWaalsContact CA-O 3.32Å; S299-L448 WeakPolarHBondContact CA-O 3.25Å; S299-L448 VanDerWaalsContact CB-O 3.26Å; S299-L448 WeakPolarHBondContact CB-O 3.41Å; S299-L448 PolarHBondContact OG-O 2.95Å
300	P	96.1	Very high	97.8	Very high	70 Å²	70	48.8 Å²	48.8	46%	0.455	26%	0.258	S	S	.	.	S	Bend	trans	-70.1	-9.6	-173.5	24.4	-31.7	0	0	0	114.1	E451	P300-E451 HydrophobicContact CG-CB 4.16Å; P300-E451 HydrophobicContact CG-CG 4.48Å
301	K	94.7	Very high	97.7	Very high	135 Å²	135	48.6 Å²	48.6	59%	0.587	26%	0.256	S	S	*	.	S	Bend	trans	-138.8	143.4	174.3	-67.2	168.3	-172.8	151.4	0	108.7	S299 L303	S299-K301 PolarHBondContact O-N 3.14Å; S299-K301 VanDerWaalsContact O-N 3.11Å; S299-K301 PolarHBondContact OG-O 3.02Å; K301-L303 PolarHBondContact O-N 3.47Å
302	P	97.1	Very high	97.6	Very high	120 Å²	120	46.8 Å²	46.8	78%	0.779	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-55.7	126.7	174.1	-26	34.9	0	0	0	111.9
303	L	98.3	Very high	97.6	Very high	22 Å²	22	46.8 Å²	46.8	12%	0.115	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-71.9	148.6	177.9	-57.4	177	0	0	0	110.2	A290 L293 S294 S299 K301 L448 Y480	A290-L303 HydrophobicContact CB-CB 4.35Å; L293-L303 HydrophobicContact CB-CD1 3.55Å; S294-L303 WeakPolarHBondContact OG-CB 3.47Å; S294-L303 WeakPolarHBondContact OG-CG 3.45Å; S294-L303 PolarHBondContact OG-N 3.47Å; S299-L303 WeakPolarHBondContact OG-CD2 3.39Å; K301-L303 PolarHBondContact O-N 3.47Å; L303-L448 HydrophobicContact CD1-CD1 3.94Å; L303-Y480 HydrophobicContact CB-CD2 4.38Å; L303-Y480 HydrophobicContact CB-CE2 3.7Å; L303-Y480 HydrophobicContact CD1-CD2 4.49Å; L303-Y480 HydrophobicContact CD1-CE2 4.45Å; L303-Y480 HydrophobicContact CD2-CE1 3.93Å; L303-Y480 HydrophobicContact CD2-CE2 4.08Å; L303-Y480 HydrophobicContact CG-CE2 4.29Å
304	R	98.3	Very high	97.5	Very high	150 Å²	150	47.3 Å²	47.3	57%	0.566	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-88.9	141.8	-179.7	-62.7	-178.4	65.4	121.4	0.8	111.9	D306 N307	R304-D306 VanDerWaalsContact C-N 3.3Å; R304-D306 IonicContact CZ-OD2 3.69Å; R304-D306 VanDerWaalsContact CZ-OD2 3.29Å; R304-D306 IonicContact NE-OD2 3.87Å; R304-D306 PolarHBondContact NE-OD2 2.79Å; R304-D306 IonicContact NH2-OD2 3.92Å; R304-D306 PolarHBondContact NH2-OD2 3.43Å; R304-D306 PolarHBondContact O-N 2.85Å; R304-N307 HydrophobicContact CB-CB 4.17Å; R304-N307 PolarHBondContact O-N 3Å
305	A	98.4	Very high	97.4	Very high	19 Å²	19	46.9 Å²	46.9	16%	0.157	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-65.8	-31.3	171.6	0	0	0	0	0	112.7	R286 E287 N307 V308	R286-A305 HydrophobicContact CB-CB 4.12Å; R286-A305 VanDerWaalsContact NH1-C 3.31Å; R286-A305 PolarHBondContact NH1-O 3.42Å; E287-A305 HydrophobicContact CG-CB 4.02Å; A305-N307 PolarHBondContact O-N 2.91Å; A305-V308 PolarHBondContact O-N 2.79Å
306	D	98	Very high	97.4	Very high	82 Å²	82	41.4 Å²	41.4	44%	0.439	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-65.6	-23.9	178	-38.6	-50.2	0	0	0	112.8	R304 V308	R304-D306 VanDerWaalsContact C-N 3.3Å; R304-D306 IonicContact CZ-OD2 3.69Å; R304-D306 VanDerWaalsContact CZ-OD2 3.29Å; R304-D306 IonicContact NE-OD2 3.87Å; R304-D306 PolarHBondContact NE-OD2 2.79Å; R304-D306 IonicContact NH2-OD2 3.92Å; R304-D306 PolarHBondContact NH2-OD2 3.43Å; R304-D306 PolarHBondContact O-N 2.85Å; D306-V308 VanDerWaalsContact C-N 3.31Å
307	N	98.4	Very high	97.4	Very high	21 Å²	21	40.1 Å²	40.1	11%	0.112	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-89.9	2.9	-179.3	-67.4	16.2	0	0	0	112.2	R304 A305 Y480 T481	R304-N307 HydrophobicContact CB-CB 4.17Å; R304-N307 PolarHBondContact O-N 3Å; A305-N307 PolarHBondContact O-N 2.91Å; N307-Y480 HydrophobicContact CB-CD2 3.94Å; N307-Y480 HydrophobicContact CB-CE2 3.33Å; N307-Y480 PolarHBondContact ND2-OH 2.91Å; N307-Y480 VanDerWaalsContact ND2-OH 3.09Å; N307-Y480 WeakPolarHBondContact O-CA 3.39Å; N307-T481 WeakPolarHBondContact CA-O 3.4Å; N307-T481 WeakPolarHBondContact CB-O 3.46Å; N307-T481 PolarHBondContact O-N 3.45Å
308	V	98.7	Very high	97.5	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129	178.6	177.2	0	0	0	0	109.5	R286 V289 A290 A305 D306 V310 L479 Y480	R286-V308 HydrophobicContact CB-CB 4.16Å; R286-V308 HydrophobicContact CB-CG1 4.32Å; R286-V308 WeakPolarHBondContact CD-O 3.44Å; R286-V308 HydrophobicContact CG-CB 4.26Å; R286-V308 HydrophobicContact CG-CG1 4.16Å; V289-V308 HydrophobicContact CB-CG1 4.19Å; V289-V308 HydrophobicContact CG1-CG1 3.74Å; V289-V308 HydrophobicContact CG1-CG2 4.19Å; A290-V308 HydrophobicContact CB-CG2 4.11Å; A305-V308 PolarHBondContact O-N 2.79Å; D306-V308 VanDerWaalsContact C-N 3.31Å; V308-V310 HydrophobicContact CG1-CG2 4.01Å; V308-L479 CarbonylContact C-O 3.51Å; V308-L479 WeakPolarHBondContact CA-O 3.3Å; V308-Y480 HydrophobicContact CG2-CD2 4.02Å
309	V	98.7	Very high	97.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.5	168.4	178.2	0	0	0	0	108.9	T280 M311 T478 L479 V487 L490	T280-V309 HydrophobicContact CG2-CG2 4.32Å; V309-M311 HydrophobicContact CG1-CE 3.97Å; V309-M311 HydrophobicContact CG1-CG 4.27Å; V309-T478 CarbonylContact O-C 3.58Å; V309-T478 VanDerWaalsContact O-CA 3.29Å; V309-T478 WeakPolarHBondContact O-CA 3.29Å; V309-L479 HydrophobicContact CB-CB 4.37Å; V309-L479 PolarHBondContact N-O 2.87Å; V309-L479 PolarHBondContact O-N 3.33Å; V309-V487 HydrophobicContact CG2-CB 4.29Å; V309-V487 HydrophobicContact CG2-CG1 3.94Å; V309-V487 HydrophobicContact CG2-CG2 4Å; V309-L490 HydrophobicContact CG1-CB 4.2Å; V309-L490 HydrophobicContact CG1-CD1 4.49Å; V309-L490 HydrophobicContact CG2-CD1 4.43Å
310	V	98.3	Very high	97.6	Very high	2 Å²	2	35 Å²	35	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128	-177.8	-164.8	0	0	0	0	109.9	T280 L285 R286 V308 I476 G477 T478 L499	T280-V310 PolarHBondContact O-N 3.44Å; L285-V310 HydrophobicContact CD2-CG1 3.9Å; L285-V310 HydrophobicContact CD2-CG2 4.3Å; L285-V310 HydrophobicContact CG-CG2 4.48Å; R286-V310 HydrophobicContact CG-CG2 4.03Å; V308-V310 HydrophobicContact CG1-CG2 4.01Å; V310-I476 HydrophobicContact CG1-CG2 3.71Å; V310-G477 WeakPolarHBondContact CA-O 3.38Å; V310-T478 HydrophobicContact CG1-CG2 4.28Å; V310-T478 HydrophobicContact CG2-CG2 4.35Å; V310-L499 HydrophobicContact CG1-CD1 3.71Å
311	M	97.6	Very high	97.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	170.5	-179.3	-69.6	-171.6	175.7	0	0	112	V309 G313 L317 C320 G477 L490 L493 H497	V309-M311 HydrophobicContact CG1-CE 3.97Å; V309-M311 HydrophobicContact CG1-CG 4.27Å; M311-G313 PolarHBondContact O-N 2.62Å; M311-L317 HydrophobicContact CB-CD2 3.88Å; M311-L317 HydrophobicContact CB-CG 4.23Å; M311-L317 HydrophobicContact CG-CD2 3.89Å; M311-L317 HydrophobicContact SD-CD2 3.75Å; M311-C320 HydrophobicContact CE-CB 4.21Å; M311-C320 HydrophobicContact SD-CB 3.92Å; M311-C320 VanDerWaalsContact SD-SG 3.69Å; M311-G477 PolarHBondContact N-O 3.23Å; M311-G477 PolarHBondContact O-N 3.32Å; M311-L490 HydrophobicContact CE-CB 3.93Å; M311-L490 HydrophobicContact CE-CD2 4.11Å; M311-L490 WeakPolarHBondContact CE-O 3.46Å; M311-L493 HydrophobicContact CE-CB 4.47Å; M311-H497 CarbonylContact C-O 3.53Å; M311-H497 WeakPolarHBondContact CA-O 3.34Å; M311-H497 HydrophobicContact CB-CB 4.18Å; M311-H497 HydrophobicContact CG-CB 4.05Å; M311-H497 HydrophobicContact SD-CB 3.89Å
312	N	96.5	Very high	97.9	Very high	50 Å²	50	25.3 Å²	25.3	27%	0.267	14%	0.14	S	C	.	.	S	Bend	trans	-70.9	29.3	-174.5	67.3	17.5	0	0	0	116.6	S316 R475 H497 L499	N312-S316 WeakPolarHBondContact OD1-CB 3.41Å; N312-S316 PolarHBondContact OD1-OG 3.19Å; N312-R475 CarbonylContact C-O 3.57Å; N312-R475 VanDerWaalsContact CA-O 3.23Å; N312-R475 WeakPolarHBondContact CA-O 3.29Å; N312-R475 HydrophobicContact CB-CB 4.48Å; N312-R475 PolarHBondContact O-NE 3.41Å; N312-R475 VanDerWaalsContact O-NE 3.09Å; N312-R475 PolarHBondContact O-NH2 2.86Å; N312-H497 WeakPolarHBondContact CB-O 3.32Å; N312-H497 PolarHBondContact N-O 2.93Å; N312-H497 PolarHBondContact OD1-ND1 2.88Å; N312-L499 HydrophobicContact CB-CD2 4.14Å; N312-L499 HydrophobicContact CB-CG 4.36Å
313	G	97	Very high	97.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.			trans	137	166	159.3	0	0	0	0	0	112.5	M311 G315 S316 L317 R475	M311-G313 PolarHBondContact O-N 2.62Å; G313-G315 PolarHBondContact O-N 3.26Å; G313-S316 WeakPolarHBondContact O-CA 3.45Å; G313-S316 WeakPolarHBondContact O-CB 3.02Å; G313-S316 PolarHBondContact O-N 2.95Å; G313-L317 PolarHBondContact O-N 2.81Å; G313-L317 VanDerWaalsContact O-N 3.07Å; G313-R475 VanDerWaalsContact CA-O 3.28Å; G313-R475 WeakPolarHBondContact CA-O 3.44Å; G313-R475 PolarHBondContact N-O 2.96Å
314	C	97.4	Very high	97.9	Very high	16 Å²	16	22.8 Å²	22.8	11%	0.108	13%	0.127	C	C	.	.	H	α-helix	trans	-57.8	-33.6	-179.9	-54.6	0	0	0	0	113.3	L317 F318 M462	C314-L317 WeakPolarHBondContact O-CB 3.33Å; C314-L317 PolarHBondContact O-N 3.35Å; C314-F318 VanDerWaalsContact O-CD2 3.31Å; C314-F318 WeakPolarHBondContact O-CD2 3.39Å; C314-F318 PolarHBondContact O-N 2.78Å; C314-M462 HydrophobicContact CB-CE 3.82Å; C314-M462 VanDerWaalsContact O-CE 3.24Å; C314-M462 WeakPolarHBondContact O-CE 3.33Å
315	G	96.6	Very high	97.9	Very high	16 Å²	16	16.2 Å²	16.2	17%	0.165	10%	0.103	C	C	.	.	H	α-helix	trans	-62.6	-40.1	173.1	0	0	0	0	0	113.4	G313 L317 F318 S319 D345	G313-G315 PolarHBondContact O-N 3.26Å; G315-L317 VanDerWaalsContact C-N 3.32Å; G315-L317 PolarHBondContact O-N 2.74Å; G315-F318 WeakPolarHBondContact O-CB 3.43Å; G315-F318 PolarHBondContact O-N 2.84Å; G315-S319 PolarHBondContact O-N 3.21Å; G315-S319 PolarHBondContact O-OG 3.02Å; G315-S319 VanDerWaalsContact O-OG 3.13Å; G315-D345 VanDerWaalsContact CA-CG 3.42Å; G315-D345 VanDerWaalsContact CA-OD2 3.27Å; G315-D345 WeakPolarHBondContact CA-OD2 3.13Å
316	S	96.9	Very high	97.9	Very high	10 Å²	10	15.8 Å²	15.8	7%	0.07	10%	0.099	C	C	.	.	H	α-helix	trans	-64.7	-36.6	172.4	146.5	0	0	0	0	112	N312 G313 S319 C320 H497	N312-S316 WeakPolarHBondContact OD1-CB 3.41Å; N312-S316 PolarHBondContact OD1-OG 3.19Å; G313-S316 WeakPolarHBondContact O-CA 3.45Å; G313-S316 WeakPolarHBondContact O-CB 3.02Å; G313-S316 PolarHBondContact O-N 2.95Å; S316-S319 PolarHBondContact O-N 3.09Å; S316-C320 WeakPolarHBondContact O-CB 3.48Å; S316-C320 PolarHBondContact O-N 2.96Å; S316-C320 PolarHBondContact O-SG 3.43Å; S316-H497 WeakPolarHBondContact CB-ND1 3.16Å; S316-H497 WeakPolarHBondContact OG-CB 3.4Å; S316-H497 PolarHBondContact OG-ND1 3.07Å
317	L	98.2	Very high	97.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.8	-43.4	172.6	-69.7	172.7	0	0	0	111.3	M311 G313 C314 G315 S319 C320 I321 M462 L479	M311-L317 HydrophobicContact CB-CD2 3.88Å; M311-L317 HydrophobicContact CB-CG 4.23Å; M311-L317 HydrophobicContact CG-CD2 3.89Å; M311-L317 HydrophobicContact SD-CD2 3.75Å; G313-L317 PolarHBondContact O-N 2.81Å; G313-L317 VanDerWaalsContact O-N 3.07Å; C314-L317 WeakPolarHBondContact O-CB 3.33Å; C314-L317 PolarHBondContact O-N 3.35Å; G315-L317 VanDerWaalsContact C-N 3.32Å; G315-L317 PolarHBondContact O-N 2.74Å; L317-S319 PolarHBondContact O-N 3.06Å; L317-C320 PolarHBondContact O-N 3.24Å; L317-I321 HydrophobicContact CB-CD1 4.22Å; L317-I321 VanDerWaalsContact O-CB 3.26Å; L317-I321 WeakPolarHBondContact O-CB 3.48Å; L317-I321 WeakPolarHBondContact O-CD1 3.36Å; L317-I321 WeakPolarHBondContact O-CG1 3.46Å; L317-I321 PolarHBondContact O-N 3.47Å; L317-M462 HydrophobicContact CB-CE 3.83Å; L317-M462 HydrophobicContact CB-SD 4.14Å; L317-M462 HydrophobicContact CD1-CG 4.43Å; L317-L479 HydrophobicContact CD1-CB 4.28Å; L317-L479 HydrophobicContact CD2-CB 4.07Å
318	F	98.4	Very high	97.8	Very high	5 Å²	5	19.4 Å²	19.4	2%	0.022	12%	0.123	C	C	.	.	H	α-helix	trans	-57.2	-46.8	172.1	-75.9	-57.5	0	0	0	111.6	C314 G315 C320 A322 I342 D345 V346 I396 I428 D430 M462	C314-F318 VanDerWaalsContact O-CD2 3.31Å; C314-F318 WeakPolarHBondContact O-CD2 3.39Å; C314-F318 PolarHBondContact O-N 2.78Å; G315-F318 WeakPolarHBondContact O-CB 3.43Å; G315-F318 PolarHBondContact O-N 2.84Å; F318-C320 PolarHBondContact O-N 2.86Å; F318-A322 WeakPolarHBondContact O-CB 3.34Å; F318-A322 PolarHBondContact O-N 3.05Å; F318-I342 HydrophobicContact CD1-CG2 4.4Å; F318-I342 HydrophobicContact CD2-CG1 4.15Å; F318-I342 HydrophobicContact CE1-CG2 4.46Å; F318-I342 HydrophobicContact CE2-CD1 3.91Å; F318-I342 HydrophobicContact CE2-CG1 3.82Å; F318-I342 HydrophobicContact CG-CG2 4.47Å; F318-I342 HydrophobicContact CZ-CD1 3.88Å; F318-I342 HydrophobicContact CZ-CG1 4.22Å; F318-D345 HydrophobicContact CB-CB 3.83Å; F318-V346 HydrophobicContact CB-CG1 4.3Å; F318-I396 HydrophobicContact CD1-CD1 4.25Å; F318-I396 HydrophobicContact CE1-CD1 4.09Å; F318-I396 HydrophobicContact CE1-CG1 4.3Å; F318-I396 HydrophobicContact CE1-CG2 4.3Å; F318-I428 HydrophobicContact CD1-CG2 4.33Å; F318-I428 HydrophobicContact CE1-CG2 3.92Å; F318-D430 HydrophobicContact CZ-CB 4.09Å; F318-M462 HydrophobicContact CD1-CE 3.93Å; F318-M462 HydrophobicContact CD1-SD 4.02Å; F318-M462 HydrophobicContact CD2-CE 3.73Å; F318-M462 HydrophobicContact CE1-CE 3.81Å; F318-M462 HydrophobicContact CE1-SD 3.89Å; F318-M462 HydrophobicContact CE2-CE 3.6Å; F318-M462 HydrophobicContact CG-CE 3.88Å; F318-M462 HydrophobicContact CG-SD 4.49Å; F318-M462 HydrophobicContact CZ-CE 3.64Å; F318-M462 HydrophobicContact CZ-SD 4.26Å
319	S	97.8	Very high	97.5	Very high	16 Å²	16	26.2 Å²	26.2	11%	0.112	15%	0.152	C	C	.	.	H	α-helix	trans	-58.3	-48.3	175.4	-54.1	0	0	0	0	112.9	G315 S316 L317 A323 D345	G315-S319 PolarHBondContact O-N 3.21Å; G315-S319 PolarHBondContact O-OG 3.02Å; G315-S319 VanDerWaalsContact O-OG 3.13Å; S316-S319 PolarHBondContact O-N 3.09Å; L317-S319 PolarHBondContact O-N 3.06Å; S319-A323 VanDerWaalsContact O-CB 3.25Å; S319-A323 WeakPolarHBondContact O-CB 3.21Å; S319-A323 PolarHBondContact O-N 2.94Å; S319-D345 WeakPolarHBondContact CA-O 3.35Å; S319-D345 VanDerWaalsContact CB-O 3.29Å; S319-D345 WeakPolarHBondContact CB-O 3.29Å; S319-D345 PolarHBondContact OG-O 3.47Å
320	C	98.2	Very high	97.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-74.6	-40.6	-173.8	-64	0	0	0	0	112.2	M311 S316 L317 F318 A323 V324 L490 L493 H497	M311-C320 HydrophobicContact CE-CB 4.21Å; M311-C320 HydrophobicContact SD-CB 3.92Å; M311-C320 VanDerWaalsContact SD-SG 3.69Å; S316-C320 WeakPolarHBondContact O-CB 3.48Å; S316-C320 PolarHBondContact O-N 2.96Å; S316-C320 PolarHBondContact O-SG 3.43Å; L317-C320 PolarHBondContact O-N 3.24Å; F318-C320 PolarHBondContact O-N 2.86Å; C320-A323 PolarHBondContact O-N 2.76Å; C320-V324 WeakPolarHBondContact O-CG2 3.18Å; C320-V324 PolarHBondContact O-N 3.36Å; C320-V324 VanDerWaalsContact O-N 3.13Å; C320-L490 HydrophobicContact CB-CD2 3.48Å; C320-L490 VanDerWaalsContact CB-CD2 3.48Å; C320-L493 HydrophobicContact CB-CB 4.45Å; C320-L493 HydrophobicContact CB-CD1 3.79Å; C320-H497 PolarHBondContact SG-CD2 3.01Å
321	I	98.4	Very high	97.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-48.1	175.5	-65.2	163	0	0	0	109.4	L317 A323 V324 I325 I428 M462 L479 L490	L317-I321 HydrophobicContact CB-CD1 4.22Å; L317-I321 VanDerWaalsContact O-CB 3.26Å; L317-I321 WeakPolarHBondContact O-CB 3.48Å; L317-I321 WeakPolarHBondContact O-CD1 3.36Å; L317-I321 WeakPolarHBondContact O-CG1 3.46Å; L317-I321 PolarHBondContact O-N 3.47Å; I321-A323 VanDerWaalsContact C-N 3.3Å; I321-A323 PolarHBondContact O-N 3.41Å; I321-V324 PolarHBondContact O-N 3.45Å; I321-V324 VanDerWaalsContact O-N 3.12Å; I321-I325 HydrophobicContact CG2-CD1 3.8Å; I321-I325 HydrophobicContact CG2-CG1 4.43Å; I321-I325 HydrophobicContact CG2-CG2 4.41Å; I321-I325 WeakPolarHBondContact O-CG1 3.34Å; I321-I325 PolarHBondContact O-N 2.98Å; I321-I428 HydrophobicContact CG2-CD1 3.63Å; I321-I428 HydrophobicContact CG2-CG1 4.12Å; I321-M462 HydrophobicContact CD1-CG 4.29Å; I321-M462 HydrophobicContact CD1-SD 3.71Å; I321-L479 HydrophobicContact CD1-CD1 3.66Å; I321-L479 HydrophobicContact CD1-CD2 3.83Å; I321-L479 HydrophobicContact CD1-CG 4.32Å; I321-L479 HydrophobicContact CG1-CD2 4.02Å; I321-L490 HydrophobicContact CG1-CD1 4.36Å; I321-L490 HydrophobicContact CG1-CD2 4.34Å
322	A	98.4	Very high	97.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-39.8	176.7	0	0	0	0	0	112.2	F318 V324 C326 I332 V346 V352	F318-A322 WeakPolarHBondContact O-CB 3.34Å; F318-A322 PolarHBondContact O-N 3.05Å; A322-V324 VanDerWaalsContact C-N 3.28Å; A322-V324 PolarHBondContact O-N 3.21Å; A322-C326 VanDerWaalsContact O-CB 3.26Å; A322-C326 WeakPolarHBondContact O-CB 3.47Å; A322-C326 PolarHBondContact O-N 3.18Å; A322-I332 HydrophobicContact CB-CD1 4.13Å; A322-V346 HydrophobicContact CB-CB 3.92Å; A322-V346 HydrophobicContact CB-CG1 3.9Å; A322-V352 HydrophobicContact CB-CB 4.49Å; A322-V352 HydrophobicContact CB-CG1 4.44Å; A322-V352 HydrophobicContact CB-CG2 4.37Å
323	A	98	Very high	97.7	Very high	36 Å²	36	24.4 Å²	24.4	30%	0.298	14%	0.143	S	C	.	.	H	α-helix	trans	-71.1	-15.4	177.7	0	0	0	0	0	115.2	S319 C320 I321 Y349 L493	S319-A323 VanDerWaalsContact O-CB 3.25Å; S319-A323 WeakPolarHBondContact O-CB 3.21Å; S319-A323 PolarHBondContact O-N 2.94Å; C320-A323 PolarHBondContact O-N 2.76Å; I321-A323 VanDerWaalsContact C-N 3.3Å; I321-A323 PolarHBondContact O-N 3.41Å; A323-Y349 HydrophobicContact CB-CD1 3.83Å; A323-Y349 HydrophobicContact CB-CE1 4.03Å; A323-L493 HydrophobicContact CB-CD1 4.33Å
324	V	98.3	Very high	97.8	Very high	54 Å²	54	24.4 Å²	24.4	33%	0.327	14%	0.143	S	C	.	.	H	α-helix	trans	-98.8	-40.3	176.9	173	0	0	0	0	112.1	C320 I321 A322 L486 A489 L490 L493	C320-V324 WeakPolarHBondContact O-CG2 3.18Å; C320-V324 PolarHBondContact O-N 3.36Å; C320-V324 VanDerWaalsContact O-N 3.13Å; I321-V324 PolarHBondContact O-N 3.45Å; I321-V324 VanDerWaalsContact O-N 3.12Å; A322-V324 VanDerWaalsContact C-N 3.28Å; A322-V324 PolarHBondContact O-N 3.21Å; V324-L486 HydrophobicContact CB-CD1 3.97Å; V324-L486 HydrophobicContact CG1-CD1 3.57Å; V324-A489 HydrophobicContact CB-CB 4.48Å; V324-A489 HydrophobicContact CG1-CB 3.61Å; V324-A489 HydrophobicContact CG2-CB 3.94Å; V324-L490 HydrophobicContact CG2-CD2 4.29Å; V324-L493 HydrophobicContact CG2-CD1 3.88Å
325	I	98.3	Very high	97.8	Very high	11 Å²	11	23.7 Å²	23.7	6%	0.056	14%	0.138	C	C	.	.	H	α-helix	trans	-94.5	-12.5	-172.3	78	-177.2	0	0	0	114.4	I321 R393 A394 H426 I428 L486	I321-I325 HydrophobicContact CG2-CD1 3.8Å; I321-I325 HydrophobicContact CG2-CG1 4.43Å; I321-I325 HydrophobicContact CG2-CG2 4.41Å; I321-I325 WeakPolarHBondContact O-CG1 3.34Å; I321-I325 PolarHBondContact O-N 2.98Å; I325-R393 PolarHBondContact O-NE 2.86Å; I325-R393 PolarHBondContact O-NH2 3.22Å; I325-A394 HydrophobicContact CD1-CB 3.86Å; I325-H426 HydrophobicContact CD1-CB 3.76Å; I325-I428 HydrophobicContact CD1-CD1 4.11Å; I325-L486 HydrophobicContact CG2-CD1 4.01Å
326	C	98.4	Very high	97.9	Very high	10 Å²	10	23 Å²	23	7%	0.068	13%	0.131	C	C	.	.			trans	-124.1	146.2	-176.9	-56.4	0	0	0	0	111.8	A322 D330 V352 R393	A322-C326 VanDerWaalsContact O-CB 3.26Å; A322-C326 WeakPolarHBondContact O-CB 3.47Å; A322-C326 PolarHBondContact O-N 3.18Å; C326-D330 HydrophobicContact CB-CB 3.96Å; C326-V352 HydrophobicContact CB-CG1 4.36Å; C326-V352 HydrophobicContact CB-CG2 3.56Å; C326-R393 HydrophobicContact CB-CG 4.31Å; C326-R393 VanDerWaalsContact SG-CB 3.59Å
327	D	97.9	Very high	97.9	Very high	91 Å²	91	22.6 Å²	22.6	49%	0.487	13%	0.127	S	C	.	.			trans	-85.5	158.8	167.7	-69.3	-84.8	0	0	0	110.8	K329 D330 R393	D327-K329 PolarHBondContact O-N 3.2Å; D327-D330 PolarHBondContact N-OD2 2.89Å; D327-D330 VanDerWaalsContact O-CB 3.23Å; D327-D330 WeakPolarHBondContact O-CB 3.4Å; D327-D330 PolarHBondContact O-N 3.2Å; D327-R393 IonicContact OD2-CZ 3.34Å; D327-R393 IonicContact OD2-NH1 3.04Å; D327-R393 PolarHBondContact OD2-NH1 3.03Å; D327-R393 IonicContact OD2-NH2 3.52Å
328	P	95.5	Very high	97.9	Very high	89 Å²	89	22.6 Å²	22.6	58%	0.578	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	128.6	178.6	-26.6	35.8	0	0	0	112.6	D330 D351	P328-D330 VanDerWaalsContact C-N 3.33Å; P328-D351 HydrophobicContact CB-CB 4.41Å
329	K	93.3	Very high	97.7	Very high	143 Å²	143	25.8 Å²	25.8	62%	0.622	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	0.6	-172.2	-46.5	164.4	-172.4	167.5	0	116.6	D327 D351	D327-K329 PolarHBondContact O-N 3.2Å; K329-D351 PolarHBondContact N-O 3.23Å
330	D	98.4	Very high	97.3	Very high	14 Å²	14	25.4 Å²	25.4	8%	0.075	14%	0.138	C	C	.	.			trans	-59.7	161.5	158.7	-75.5	-10.6	0	0	0	109.9	C326 D327 P328 V352 K353 N391 R393	C326-D330 HydrophobicContact CB-CB 3.96Å; D327-D330 PolarHBondContact N-OD2 2.89Å; D327-D330 VanDerWaalsContact O-CB 3.23Å; D327-D330 WeakPolarHBondContact O-CB 3.4Å; D327-D330 PolarHBondContact O-N 3.2Å; P328-D330 VanDerWaalsContact C-N 3.33Å; D330-V352 WeakPolarHBondContact O-CA 3.45Å; D330-K353 PolarHBondContact O-N 3.42Å; D330-N391 VanDerWaalsContact CG-ND2 3.28Å; D330-N391 WeakPolarHBondContact OD1-CB 3.39Å; D330-N391 PolarHBondContact OD1-ND2 2.99Å; D330-N391 PolarHBondContact OD2-ND2 3.5Å; D330-R393 HydrophobicContact CB-CG 3.77Å; D330-R393 VanDerWaalsContact OD2-CD 3.27Å; D330-R393 WeakPolarHBondContact OD2-CD 3.42Å; D330-R393 WeakPolarHBondContact OD2-CG 3.42Å; D330-R393 IonicContact OD2-CZ 3.55Å; D330-R393 IonicContact OD2-NE 2.79Å; D330-R393 IonicContact OD2-NH1 2.71Å; D330-R393 PolarHBondContact OD2-NH1 3.07Å
331	A	98.5	Very high	97.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	154.8	178.9	0	0	0	0	0	113.8	K353 F355 W390 N391 I392 R393	A331-K353 CarbonylContact C-O 3.57Å; A331-K353 WeakPolarHBondContact CA-O 3.05Å; A331-K353 HydrophobicContact CB-CB 4.13Å; A331-F355 HydrophobicContact CB-CB 4.37Å; A331-W390 HydrophobicContact CB-CD2 4.41Å; A331-W390 HydrophobicContact CB-CE3 3.79Å; A331-W390 HydrophobicContact CB-CZ3 4.32Å; A331-N391 PolarHBondContact N-O 3.35Å; A331-I392 HydrophobicContact CB-CD1 3.69Å; A331-I392 WeakPolarHBondContact O-CA 3.27Å; A331-R393 PolarHBondContact O-N 3.1Å; A331-R393 VanDerWaalsContact O-N 3.07Å
332	I	98.8	Very high	97.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.7	177.5	-61.3	179.7	0	0	0	108.3	A322 V346 V352 K353 L354 F355 A394 I396	A322-I332 HydrophobicContact CB-CD1 4.13Å; I332-V346 HydrophobicContact CD1-CG1 4.45Å; I332-V352 HydrophobicContact CD1-CG1 3.92Å; I332-V352 HydrophobicContact CG1-CG1 3.92Å; I332-K353 PolarHBondContact N-O 2.85Å; I332-L354 HydrophobicContact CB-CD2 4.08Å; I332-L354 HydrophobicContact CG2-CD2 4.44Å; I332-L354 CarbonylContact O-C 3.55Å; I332-L354 WeakPolarHBondContact O-CA 3.23Å; I332-F355 PolarHBondContact O-N 3.03Å; I332-A394 HydrophobicContact CB-CB 4.49Å; I332-A394 HydrophobicContact CD1-CB 4.42Å; I332-A394 HydrophobicContact CG1-CB 4.09Å; I332-A394 HydrophobicContact CG2-CB 3.94Å; I332-I396 HydrophobicContact CG2-CB 4.47Å; I332-I396 HydrophobicContact CG2-CD1 3.62Å; I332-I396 HydrophobicContact CG2-CG1 3.67Å
333	L	98.6	Very high	96.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.1	178.7	-161.9	66.7	0	0	0	109.6	F355 V357 L378 L382 I392 A394 L395 I396 F419	L333-F355 HydrophobicContact CD1-CB 4.3Å; L333-F355 HydrophobicContact CD1-CD1 3.79Å; L333-F355 HydrophobicContact CD1-CG 4.46Å; L333-V357 HydrophobicContact CD1-CG2 3.39Å; L333-V357 HydrophobicContact CD2-CG2 4.25Å; L333-V357 HydrophobicContact CG-CG2 3.65Å; L333-L378 HydrophobicContact CD2-CD2 4.02Å; L333-L382 HydrophobicContact CD2-CB 4.34Å; L333-I392 HydrophobicContact CB-CG2 4.06Å; L333-A394 WeakPolarHBondContact CB-O 3.3Å; L333-A394 PolarHBondContact N-O 2.85Å; L333-L395 HydrophobicContact CB-CD1 4.18Å; L333-L395 HydrophobicContact CD2-CD1 4.32Å; L333-L395 HydrophobicContact CG-CD1 4.32Å; L333-L395 CarbonylContact O-C 3.54Å; L333-L395 WeakPolarHBondContact O-CA 3.42Å; L333-I396 PolarHBondContact O-N 3.08Å; L333-F419 HydrophobicContact CD2-CE1 4.01Å; L333-F419 HydrophobicContact CD2-CZ 4.05Å
334	I	98.7	Very high	96.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	134.4	178	-163.7	165.9	0	0	0	111.4	F338 I342 L354 F355 V357 I396	I334-F338 HydrophobicContact CD1-CB 3.94Å; I334-F338 HydrophobicContact CD1-CD1 4.16Å; I334-F338 HydrophobicContact CD1-CD2 3.57Å; I334-F338 HydrophobicContact CD1-CE2 4.1Å; I334-F338 HydrophobicContact CD1-CG 3.62Å; I334-F338 HydrophobicContact CG1-CB 4.21Å; I334-F338 HydrophobicContact CG1-CD1 4.28Å; I334-F338 HydrophobicContact CG1-CG 4.09Å; I334-F338 HydrophobicContact CG2-CD1 4.03Å; I334-F338 HydrophobicContact CG2-CE1 3.9Å; I334-F338 HydrophobicContact CG2-CZ 4.35Å; I334-I342 HydrophobicContact CD1-CD1 4.49Å; I334-I342 HydrophobicContact CD1-CG2 4.21Å; I334-L354 HydrophobicContact CD1-CD1 4.37Å; I334-L354 HydrophobicContact CG2-CB 3.96Å; I334-L354 HydrophobicContact CG2-CD1 4.24Å; I334-L354 HydrophobicContact CG2-CD2 4.4Å; I334-L354 HydrophobicContact CG2-CG 4.43Å; I334-F355 PolarHBondContact N-O 3.16Å; I334-V357 PolarHBondContact O-N 3.43Å; I334-I396 HydrophobicContact CB-CB 4.49Å; I334-I396 HydrophobicContact CD1-CB 3.98Å; I334-I396 HydrophobicContact CD1-CD1 4.27Å; I334-I396 HydrophobicContact CD1-CG2 3.76Å; I334-I396 HydrophobicContact CG1-CB 4.04Å; I334-I396 HydrophobicContact CG1-CG2 4.12Å
335	P	98.2	Very high	96.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	149.6	169.2	-18.7	31.4	0	0	0	111.7	F338 V357 L359 L373 I396	P335-F338 WeakPolarHBondContact O-CB 3.46Å; P335-F338 WeakPolarHBondContact O-CD1 3.33Å; P335-V357 CarbonylContact C-O 3.53Å; P335-V357 WeakPolarHBondContact CA-O 3.28Å; P335-L359 HydrophobicContact CB-CD1 3.94Å; P335-L359 HydrophobicContact CB-CD2 4.24Å; P335-L359 HydrophobicContact CB-CG 4.16Å; P335-L373 HydrophobicContact CB-CD1 4.19Å; P335-L373 HydrophobicContact CG-CD1 3.89Å; P335-L373 HydrophobicContact CG-CD2 3.75Å; P335-L373 HydrophobicContact CG-CG 4.41Å; P335-I396 VanDerWaalsContact CD-O 3.29Å; P335-I396 WeakPolarHBondContact CD-O 3.46Å
336	T	97.7	Very high	96.5	Very high	3 Å²	3	28 Å²	28	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.4	171.4	93.8	0	0	0	0	112.5	F338 H356 V357 L359 S593	T336-F338 HydrophobicContact CG2-CD1 3.8Å; T336-F338 HydrophobicContact CG2-CE1 3.92Å; T336-H356 HydrophobicContact CG2-CB 3.49Å; T336-H356 VanDerWaalsContact CG2-CB 3.49Å; T336-V357 PolarHBondContact N-O 3Å; T336-L359 WeakPolarHBondContact O-CB 3.47Å; T336-L359 WeakPolarHBondContact O-CG 3.41Å; T336-L359 PolarHBondContact O-N 2.82Å; T336-S593 WeakPolarHBondContact CB-O 2.95Å; T336-S593 PolarHBondContact OG1-O 2.89Å
337	P	97.8	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	S	Bend	cis	-74.5	147.3	7.5	30.8	-36.5	0	0	0	114.4	F371 H401 P403 L404 W557 F592 C594	P337-F371 HydrophobicContact CG-CD1 4.08Å; P337-F371 HydrophobicContact CG-CE1 4.12Å; P337-H401 PolarHBondContact O-CE1 3.02Å; P337-H401 VanDerWaalsContact O-CE1 3.24Å; P337-P403 HydrophobicContact CB-CG 4.07Å; P337-P403 HydrophobicContact CG-CG 4.15Å; P337-L404 HydrophobicContact CG-CD2 3.8Å; P337-L404 HydrophobicContact CG-CG 4.36Å; P337-W557 HydrophobicContact CB-CH2 4.36Å; P337-W557 HydrophobicContact CB-CZ2 3.97Å; P337-W557 HydrophobicContact CG-CZ2 3.82Å; P337-F592 CarbonylContact C-O 3.56Å; P337-F592 WeakPolarHBondContact CA-O 3.41Å; P337-F592 HydrophobicContact CB-CB 3.87Å; P337-F592 WeakPolarHBondContact CB-O 3.3Å; P337-C594 HydrophobicContact CB-CB 3.97Å
338	F	97.3	Very high	96	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.			trans	-137.6	168.3	176.2	67.6	-86.5	0	0	0	111.7	I334 P335 T336 G340 I342 T343 L354 H356 M398 N402 F592	I334-F338 HydrophobicContact CD1-CB 3.94Å; I334-F338 HydrophobicContact CD1-CD1 4.16Å; I334-F338 HydrophobicContact CD1-CD2 3.57Å; I334-F338 HydrophobicContact CD1-CE2 4.1Å; I334-F338 HydrophobicContact CD1-CG 3.62Å; I334-F338 HydrophobicContact CG1-CB 4.21Å; I334-F338 HydrophobicContact CG1-CD1 4.28Å; I334-F338 HydrophobicContact CG1-CG 4.09Å; I334-F338 HydrophobicContact CG2-CD1 4.03Å; I334-F338 HydrophobicContact CG2-CE1 3.9Å; I334-F338 HydrophobicContact CG2-CZ 4.35Å; P335-F338 WeakPolarHBondContact O-CB 3.46Å; P335-F338 WeakPolarHBondContact O-CD1 3.33Å; T336-F338 HydrophobicContact CG2-CD1 3.8Å; T336-F338 HydrophobicContact CG2-CE1 3.92Å; F338-G340 PolarHBondContact O-N 3.3Å; F338-I342 HydrophobicContact CD2-CB 4.25Å; F338-I342 HydrophobicContact CD2-CD1 4.49Å; F338-I342 HydrophobicContact CE2-CB 4.22Å; F338-T343 WeakPolarHBondContact CZ-OG1 3.49Å; F338-L354 HydrophobicContact CE1-CD1 4.48Å; F338-L354 HydrophobicContact CE2-CD1 3.53Å; F338-L354 HydrophobicContact CZ-CD1 3.51Å; F338-H356 AromaticContact CE1-CD2 3.8Å; F338-H356 AromaticContact CE1-NE2 3.45Å; F338-H356 WeakPolarHBondContact CE1-NE2 3.37Å; F338-H356 AromaticContact CZ-NE2 3.65Å; F338-M398 HydrophobicContact CB-CE 3.55Å; F338-N402 CarbonylContact C-O 3.53Å; F338-N402 WeakPolarHBondContact CA-O 3.33Å; F338-F592 PolarHBondContact N-O 3.22Å; F338-F592 CarbonylContact O-C 3.59Å; F338-F592 WeakPolarHBondContact O-CA 3.41Å; F338-F592 WeakPolarHBondContact O-CB 3.44Å; F338-F592 WeakPolarHBondContact O-CD1 3.42Å
339	Y	94.8	Very high	95.8	Very high	73 Å²	73	28.2 Å²	28.2	29%	0.286	14%	0.135	S	C	.	.			trans	-61	100.4	175.7	178.6	-139.2	0	0	0	111.8	L221 V341 I342 N402 F592	L221-Y339 HydrophobicContact CD1-CE2 4.3Å; Y339-V341 HydrophobicContact CD2-CG2 4.38Å; Y339-V341 HydrophobicContact CE1-CB 3.95Å; Y339-V341 HydrophobicContact CE1-CG2 4.43Å; Y339-V341 HydrophobicContact CE2-CB 3.95Å; Y339-V341 HydrophobicContact CE2-CG2 3.57Å; Y339-V341 PolarHBondContact O-N 2.99Å; Y339-I342 HydrophobicContact CD1-CD1 4.39Å; Y339-I342 HydrophobicContact CD1-CG1 4.06Å; Y339-I342 WeakPolarHBondContact O-CB 3.33Å; Y339-I342 WeakPolarHBondContact O-CG1 3.34Å; Y339-I342 PolarHBondContact O-N 2.73Å; Y339-N402 WeakPolarHBondContact CB-ND2 3.18Å; Y339-N402 PolarHBondContact N-O 2.72Å; Y339-F592 HydrophobicContact CD2-CE1 4.39Å
340	G	90.4	Very high	95.8	Very high	7 Å²	7	22.3 Å²	22.3	7%	0.072	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-36.3	-165.6	0	0	0	0	0	115.6	F338 I342 T343 E344	F338-G340 PolarHBondContact O-N 3.3Å; G340-I342 PolarHBondContact O-N 3.33Å; G340-T343 VanDerWaalsContact O-CB 3.25Å; G340-T343 WeakPolarHBondContact O-CB 3.22Å; G340-T343 PolarHBondContact O-N 3.06Å; G340-T343 PolarHBondContact O-OG1 2.82Å; G340-E344 VanDerWaalsContact O-OE2 3.08Å
341	V	94.2	Very high	95.6	Very high	38 Å²	38	24.4 Å²	24.4	23%	0.23	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.9	-179.2	-173.4	0	0	0	0	113.7	L221 Y339 T343 E344 D345	L221-V341 HydrophobicContact CD1-CG2 3.84Å; Y339-V341 HydrophobicContact CD2-CG2 4.38Å; Y339-V341 HydrophobicContact CE1-CB 3.95Å; Y339-V341 HydrophobicContact CE1-CG2 4.43Å; Y339-V341 HydrophobicContact CE2-CB 3.95Å; Y339-V341 HydrophobicContact CE2-CG2 3.57Å; Y339-V341 PolarHBondContact O-N 2.99Å; V341-T343 PolarHBondContact O-N 3.45Å; V341-T343 VanDerWaalsContact O-N 3.16Å; V341-E344 VanDerWaalsContact CA-OE2 3.3Å; V341-E344 WeakPolarHBondContact CA-OE2 3.13Å; V341-E344 WeakPolarHBondContact O-CB 3.18Å; V341-E344 PolarHBondContact O-N 2.9Å; V341-D345 PolarHBondContact O-N 3.44Å
342	I	96.8	Very high	95.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.1	-28.3	172.3	-62.5	173.6	0	0	0	110.9	F318 I334 F338 Y339 G340 D345 V346 L354 I396 M398	F318-I342 HydrophobicContact CD1-CG2 4.4Å; F318-I342 HydrophobicContact CD2-CG1 4.15Å; F318-I342 HydrophobicContact CE1-CG2 4.46Å; F318-I342 HydrophobicContact CE2-CD1 3.91Å; F318-I342 HydrophobicContact CE2-CG1 3.82Å; F318-I342 HydrophobicContact CG-CG2 4.47Å; F318-I342 HydrophobicContact CZ-CD1 3.88Å; F318-I342 HydrophobicContact CZ-CG1 4.22Å; I334-I342 HydrophobicContact CD1-CD1 4.49Å; I334-I342 HydrophobicContact CD1-CG2 4.21Å; F338-I342 HydrophobicContact CD2-CB 4.25Å; F338-I342 HydrophobicContact CD2-CD1 4.49Å; F338-I342 HydrophobicContact CE2-CB 4.22Å; Y339-I342 HydrophobicContact CD1-CD1 4.39Å; Y339-I342 HydrophobicContact CD1-CG1 4.06Å; Y339-I342 WeakPolarHBondContact O-CB 3.33Å; Y339-I342 WeakPolarHBondContact O-CG1 3.34Å; Y339-I342 PolarHBondContact O-N 2.73Å; G340-I342 PolarHBondContact O-N 3.33Å; I342-D345 PolarHBondContact O-N 3.05Å; I342-V346 WeakPolarHBondContact O-CG2 3.44Å; I342-V346 PolarHBondContact O-N 3.12Å; I342-V346 VanDerWaalsContact O-N 3.13Å; I342-L354 HydrophobicContact CG2-CD1 4.2Å; I342-I396 HydrophobicContact CG2-CD1 3.86Å; I342-M398 HydrophobicContact CD1-SD 4.08Å
343	T	95.6	Very high	95.5	Very high	47 Å²	47	27 Å²	27	29%	0.288	13%	0.134	S	C	.	.	H	α-helix	trans	-61.4	-49.3	174.1	-39.7	0	0	0	0	110.8	F338 G340 V341 H347 L354	F338-T343 WeakPolarHBondContact CZ-OG1 3.49Å; G340-T343 VanDerWaalsContact O-CB 3.25Å; G340-T343 WeakPolarHBondContact O-CB 3.22Å; G340-T343 PolarHBondContact O-N 3.06Å; G340-T343 PolarHBondContact O-OG1 2.82Å; V341-T343 PolarHBondContact O-N 3.45Å; V341-T343 VanDerWaalsContact O-N 3.16Å; T343-H347 WeakPolarHBondContact O-CB 3.34Å; T343-H347 PolarHBondContact O-N 2.76Å; T343-L354 HydrophobicContact CG2-CD1 4.28Å
344	E	93.4	Very high	95.5	Very high	37 Å²	37	28 Å²	28	17%	0.173	14%	0.14	C	C	.	.	H	α-helix	trans	-66.5	-44.4	175.7	-69	92	145.6	0	0	112.1	H217 G340 V341 V346 H347 L348	H217-E344 IonicContact CD2-OE1 2.99Å; H217-E344 IonicContact CE1-OE1 3.82Å; H217-E344 VanDerWaalsContact NE2-CD 3.3Å; H217-E344 VanDerWaalsContact NE2-CG 3.27Å; H217-E344 WeakPolarHBondContact NE2-CG 3.42Å; H217-E344 IonicContact NE2-OE1 3.37Å; H217-E344 PolarHBondContact NE2-OE1 3.37Å; G340-E344 VanDerWaalsContact O-OE2 3.08Å; V341-E344 VanDerWaalsContact CA-OE2 3.3Å; V341-E344 WeakPolarHBondContact CA-OE2 3.13Å; V341-E344 WeakPolarHBondContact O-CB 3.18Å; V341-E344 PolarHBondContact O-N 2.9Å; E344-V346 VanDerWaalsContact C-N 3.29Å; E344-V346 PolarHBondContact O-N 3.29Å; E344-H347 PolarHBondContact O-N 3.12Å; E344-L348 HydrophobicContact CB-CD1 3.82Å; E344-L348 HydrophobicContact CB-CG 4.13Å; E344-L348 HydrophobicContact CG-CD1 4.36Å; E344-L348 WeakPolarHBondContact O-CB 3.11Å; E344-L348 VanDerWaalsContact O-CG 3.24Å; E344-L348 WeakPolarHBondContact O-CG 3.13Å; E344-L348 PolarHBondContact O-N 3.1Å
345	D	95.6	Very high	95.4	Very high	34 Å²	34	28.8 Å²	28.8	18%	0.182	14%	0.143	C	C	.	.	H	α-helix	trans	-56.4	-42.1	-179.5	-71.9	-33.5	0	0	0	111.4	G315 F318 S319 V341 I342	G315-D345 VanDerWaalsContact CA-CG 3.42Å; G315-D345 VanDerWaalsContact CA-OD2 3.27Å; G315-D345 WeakPolarHBondContact CA-OD2 3.13Å; F318-D345 HydrophobicContact CB-CB 3.83Å; S319-D345 WeakPolarHBondContact CA-O 3.35Å; S319-D345 VanDerWaalsContact CB-O 3.29Å; S319-D345 WeakPolarHBondContact CB-O 3.29Å; S319-D345 PolarHBondContact OG-O 3.47Å; V341-D345 PolarHBondContact O-N 3.44Å; I342-D345 PolarHBondContact O-N 3.05Å
346	V	96.8	Very high	95.5	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-84.4	-32.4	175.6	-52	0	0	0	0	113.5	F318 A322 I332 I342 E344 S350 V352 L354	F318-V346 HydrophobicContact CB-CG1 4.3Å; A322-V346 HydrophobicContact CB-CB 3.92Å; A322-V346 HydrophobicContact CB-CG1 3.9Å; I332-V346 HydrophobicContact CD1-CG1 4.45Å; I342-V346 WeakPolarHBondContact O-CG2 3.44Å; I342-V346 PolarHBondContact O-N 3.12Å; I342-V346 VanDerWaalsContact O-N 3.13Å; E344-V346 VanDerWaalsContact C-N 3.29Å; E344-V346 PolarHBondContact O-N 3.29Å; V346-S350 PolarHBondContact O-OG 2.88Å; V346-V352 HydrophobicContact CB-CB 4.39Å; V346-V352 HydrophobicContact CB-CG1 4.3Å; V346-V352 HydrophobicContact CG2-CG1 4.29Å; V346-L354 HydrophobicContact CG2-CD2 3.87Å; V346-L354 HydrophobicContact CG2-CG 4.03Å
347	H	94.6	Very high	95.5	Very high	52 Å²	52	32.3 Å²	32.3	24%	0.241	16%	0.159	C	C	.	.	H	α-helix	trans	-77.7	-49.4	-174.6	177.5	16.7	0	0	0	113.2	T343 E344 Y349 D351 V352 K353	T343-H347 WeakPolarHBondContact O-CB 3.34Å; T343-H347 PolarHBondContact O-N 2.76Å; E344-H347 PolarHBondContact O-N 3.12Å; H347-Y349 PolarHBondContact O-N 3.35Å; H347-D351 IonicContact CE1-OD1 3.73Å; H347-D351 PolarHBondContact CE1-OD1 2.88Å; H347-D351 IonicContact ND1-OD1 2.85Å; H347-D351 PolarHBondContact ND1-OD1 3.33Å; H347-D351 WeakPolarHBondContact O-CA 3.29Å; H347-D351 PolarHBondContact O-N 3.02Å; H347-V352 WeakPolarHBondContact CA-O 3.49Å; H347-K353 PolarHBondContact CE1-NZ 3.26Å; H347-K353 PolarHBondContact ND1-NZ 3.49Å; H347-K353 VanDerWaalsContact ND1-NZ 3.14Å
348	L	91.8	Very high	95.4	Very high	58 Å²	58	35.5 Å²	35.5	30%	0.304	18%	0.18	S	C	.	.	H	α-helix	trans	-65.6	-29.5	-163.5	-59.4	174.6	0	0	0	112.5	I214 E344	I214-L348 HydrophobicContact CG1-CD2 3.93Å; E344-L348 HydrophobicContact CB-CD1 3.82Å; E344-L348 HydrophobicContact CB-CG 4.13Å; E344-L348 HydrophobicContact CG-CD1 4.36Å; E344-L348 WeakPolarHBondContact O-CB 3.11Å; E344-L348 VanDerWaalsContact O-CG 3.24Å; E344-L348 WeakPolarHBondContact O-CG 3.13Å; E344-L348 PolarHBondContact O-N 3.1Å
349	Y	89.6	Confident	95.3	Very high	84 Å²	84	35.6 Å²	35.6	33%	0.329	18%	0.181	S	C	.	.	H	α-helix	trans	-86.7	-52.5	-179.1	-160.3	-105.1	0	0	0	112.5	R210 A323 H347	R210-Y349 PolarHBondContact NH1-O 3.16Å; A323-Y349 HydrophobicContact CB-CD1 3.83Å; A323-Y349 HydrophobicContact CB-CE1 4.03Å; H347-Y349 PolarHBondContact O-N 3.35Å
350	S	94	Very high	95.2	Very high	20 Å²	20	35.7 Å²	35.7	14%	0.14	19%	0.186	C	C	.	.	H	α-helix	trans	-114.7	1.8	-168.2	48.8	0	0	0	0	116.5	V346 V352	V346-S350 PolarHBondContact O-OG 2.88Å; S350-V352 PolarHBondContact O-N 3.39Å; S350-V352 WeakPolarHBondContact OG-CG2 3.28Å
351	D	94.7	Very high	95.1	Very high	58 Å²	58	35.8 Å²	35.8	31%	0.31	19%	0.186	S	C	.	.			trans	60.7	16.3	-174.7	-158.9	35.8	0	0	0	115	P328 K329 H347 K353	P328-D351 HydrophobicContact CB-CB 4.41Å; K329-D351 PolarHBondContact N-O 3.23Å; H347-D351 IonicContact CE1-OD1 3.73Å; H347-D351 PolarHBondContact CE1-OD1 2.88Å; H347-D351 IonicContact ND1-OD1 2.85Å; H347-D351 PolarHBondContact ND1-OD1 3.33Å; H347-D351 WeakPolarHBondContact O-CA 3.29Å; H347-D351 PolarHBondContact O-N 3.02Å; D351-K353 WeakPolarHBondContact O-CE 3.37Å; D351-K353 PolarHBondContact O-NZ 3.45Å; D351-K353 IonicContact OD1-NZ 3.74Å; D351-K353 PolarHBondContact OD1-NZ 3.45Å
352	V	97.6	Very high	94.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.			trans	-67.7	149.9	171.8	173.7	0	0	0	0	110.2	A322 C326 D330 I332 V346 H347 S350	A322-V352 HydrophobicContact CB-CB 4.49Å; A322-V352 HydrophobicContact CB-CG1 4.44Å; A322-V352 HydrophobicContact CB-CG2 4.37Å; C326-V352 HydrophobicContact CB-CG1 4.36Å; C326-V352 HydrophobicContact CB-CG2 3.56Å; D330-V352 WeakPolarHBondContact O-CA 3.45Å; I332-V352 HydrophobicContact CD1-CG1 3.92Å; I332-V352 HydrophobicContact CG1-CG1 3.92Å; V346-V352 HydrophobicContact CB-CB 4.39Å; V346-V352 HydrophobicContact CB-CG1 4.3Å; V346-V352 HydrophobicContact CG2-CG1 4.29Å; H347-V352 WeakPolarHBondContact CA-O 3.49Å; S350-V352 PolarHBondContact O-N 3.39Å; S350-V352 WeakPolarHBondContact OG-CG2 3.28Å
353	K	97.2	Very high	93.6	Very high	53 Å²	53	39.9 Å²	39.9	23%	0.23	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	163.9	178.9	-50	-58.1	165.5	-163.8	0	112	D330 A331 I332 H347 D351 W390	D330-K353 PolarHBondContact O-N 3.42Å; A331-K353 CarbonylContact C-O 3.57Å; A331-K353 WeakPolarHBondContact CA-O 3.05Å; A331-K353 HydrophobicContact CB-CB 4.13Å; I332-K353 PolarHBondContact N-O 2.85Å; H347-K353 PolarHBondContact CE1-NZ 3.26Å; H347-K353 PolarHBondContact ND1-NZ 3.49Å; H347-K353 VanDerWaalsContact ND1-NZ 3.14Å; D351-K353 WeakPolarHBondContact O-CE 3.37Å; D351-K353 PolarHBondContact O-NZ 3.45Å; D351-K353 IonicContact OD1-NZ 3.74Å; D351-K353 PolarHBondContact OD1-NZ 3.45Å; K353-W390 HydrophobicContact CB-CH2 4.28Å; K353-W390 HydrophobicContact CB-CZ3 3.95Å; K353-W390 HydrophobicContact CG-CH2 4.08Å; K353-W390 HydrophobicContact CG-CZ3 3.77Å
354	L	98.1	Very high	92	Very high	23 Å²	23	44 Å²	44	12%	0.12	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132	168.1	-63.5	-179	0	0	0	109.5	I332 I334 F338 I342 T343 V346 I396	I332-L354 HydrophobicContact CB-CD2 4.08Å; I332-L354 HydrophobicContact CG2-CD2 4.44Å; I332-L354 CarbonylContact O-C 3.55Å; I332-L354 WeakPolarHBondContact O-CA 3.23Å; I334-L354 HydrophobicContact CD1-CD1 4.37Å; I334-L354 HydrophobicContact CG2-CB 3.96Å; I334-L354 HydrophobicContact CG2-CD1 4.24Å; I334-L354 HydrophobicContact CG2-CD2 4.4Å; I334-L354 HydrophobicContact CG2-CG 4.43Å; F338-L354 HydrophobicContact CE1-CD1 4.48Å; F338-L354 HydrophobicContact CE2-CD1 3.53Å; F338-L354 HydrophobicContact CZ-CD1 3.51Å; I342-L354 HydrophobicContact CG2-CD1 4.2Å; T343-L354 HydrophobicContact CG2-CD1 4.28Å; V346-L354 HydrophobicContact CG2-CD2 3.87Å; V346-L354 HydrophobicContact CG2-CG 4.03Å; L354-I396 HydrophobicContact CD2-CD1 4.25Å
355	F	98.4	Very high	90.4	Very high	15 Å²	15	44.6 Å²	44.6	7%	0.066	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115.5	170.2	-165.4	-82.1	0	0	0	109.5	A331 I332 L333 I334 G381 K384 A385 E388 W390 I392	A331-F355 HydrophobicContact CB-CB 4.37Å; I332-F355 PolarHBondContact O-N 3.03Å; L333-F355 HydrophobicContact CD1-CB 4.3Å; L333-F355 HydrophobicContact CD1-CD1 3.79Å; L333-F355 HydrophobicContact CD1-CG 4.46Å; I334-F355 PolarHBondContact N-O 3.16Å; F355-G381 VanDerWaalsContact CE1-O 3.32Å; F355-G381 WeakPolarHBondContact CE1-O 3.42Å; F355-K384 HydrophobicContact CE1-CB 4.49Å; F355-K384 HydrophobicContact CZ-CB 4.23Å; F355-K384 HydrophobicContact CZ-CD 4.07Å; F355-K384 HydrophobicContact CZ-CG 4.01Å; F355-A385 HydrophobicContact CD1-CB 3.86Å; F355-A385 HydrophobicContact CD2-CB 3.76Å; F355-A385 HydrophobicContact CE1-CB 3.85Å; F355-A385 HydrophobicContact CE2-CB 3.75Å; F355-A385 HydrophobicContact CG-CB 3.82Å; F355-A385 HydrophobicContact CZ-CB 3.79Å; F355-E388 WeakPolarHBondContact CE2-OE2 3.42Å; F355-W390 AromaticContact CD2-CD1 3.56Å; F355-W390 HydrophobicContact CD2-CD2 4.39Å; F355-W390 AromaticContact CD2-CG 3.97Å; F355-W390 HydrophobicContact CD2-CG 3.97Å; F355-W390 AromaticContact CD2-NE1 3.73Å; F355-W390 AromaticContact CE2-CD1 3.47Å; F355-W390 VanDerWaalsContact CE2-CD1 3.47Å; F355-W390 HydrophobicContact CE2-CG 4.31Å; F355-W390 AromaticContact CE2-NE1 3.61Å; F355-I392 HydrophobicContact CB-CD1 3.88Å; F355-I392 HydrophobicContact CG-CD1 4.35Å
356	H	98.3	Very high	88.4	Confident	75 Å²	75	52.9 Å²	52.9	35%	0.347	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.4	-170.2	-67.8	177.4	0	0	0	112.6	T336 F338 P358 S593	T336-H356 HydrophobicContact CG2-CB 3.49Å; T336-H356 VanDerWaalsContact CG2-CB 3.49Å; F338-H356 AromaticContact CE1-CD2 3.8Å; F338-H356 AromaticContact CE1-NE2 3.45Å; F338-H356 WeakPolarHBondContact CE1-NE2 3.37Å; F338-H356 AromaticContact CZ-NE2 3.65Å; H356-P358 WeakPolarHBondContact O-CD 3.27Å; H356-S593 PolarHBondContact CE1-OG 2.9Å; H356-S593 VanDerWaalsContact CE1-OG 3.31Å
357	V	98.1	Very high	86.5	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	93.6	169	-176.2	0	0	0	0	108.3	L333 I334 P335 T336 L359 K377	L333-V357 HydrophobicContact CD1-CG2 3.39Å; L333-V357 HydrophobicContact CD2-CG2 4.25Å; L333-V357 HydrophobicContact CG-CG2 3.65Å; I334-V357 PolarHBondContact O-N 3.43Å; P335-V357 CarbonylContact C-O 3.53Å; P335-V357 WeakPolarHBondContact CA-O 3.28Å; T336-V357 PolarHBondContact N-O 3Å; V357-L359 PolarHBondContact O-N 3.31Å; V357-K377 HydrophobicContact CG1-CB 4.01Å; V357-K377 WeakPolarHBondContact CG1-O 3.43Å
358	P	96.8	Very high	85.1	Confident	68 Å²	68	62 Å²	62	44%	0.442	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	128.2	-176.3	26.7	-34.1	0	0	0	111.3	H356 K377	H356-P358 WeakPolarHBondContact O-CD 3.27Å; P358-K377 PolarHBondContact O-NZ 2.84Å
359	L	95.6	Very high	84.6	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-91.2	147.7	170.2	-48	-173.2	0	0	0	108.9	P335 T336 V357 F371 L373 K377 S595	P335-L359 HydrophobicContact CB-CD1 3.94Å; P335-L359 HydrophobicContact CB-CD2 4.24Å; P335-L359 HydrophobicContact CB-CG 4.16Å; T336-L359 WeakPolarHBondContact O-CB 3.47Å; T336-L359 WeakPolarHBondContact O-CG 3.41Å; T336-L359 PolarHBondContact O-N 2.82Å; V357-L359 PolarHBondContact O-N 3.31Å; L359-F371 HydrophobicContact CB-CB 4.12Å; L359-F371 HydrophobicContact CB-CD1 4.33Å; L359-F371 WeakPolarHBondContact CD1-O 3.23Å; L359-L373 HydrophobicContact CD1-CB 4.13Å; L359-L373 HydrophobicContact CD2-CB 4.28Å; L359-L373 HydrophobicContact CD2-CD1 3.83Å; L359-K377 HydrophobicContact CD2-CD 3.71Å; L359-S595 PolarHBondContact O-OG 2.91Å
360	D	92.3	Very high	84.7	Confident	75 Å²	75	61.5 Å²	61.5	40%	0.401	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-84.1	133.6	-173.1	-45.3	-45	0	0	0	109.1	E362 F371 K377	D360-E362 VanDerWaalsContact C-N 3.28Å; D360-E362 PolarHBondContact O-N 2.84Å; D360-F371 VanDerWaalsContact O-CA 3.22Å; D360-F371 WeakPolarHBondContact O-CA 3.32Å; D360-F371 PolarHBondContact O-N 3.46Å; D360-K377 IonicContact OD1-NZ 2.89Å; D360-K377 PolarHBondContact OD1-NZ 3.29Å; D360-K377 WeakPolarHBondContact OD2-CE 3.34Å; D360-K377 IonicContact OD2-NZ 3.27Å; D360-K377 PolarHBondContact OD2-NZ 3.28Å
361	C	88.4	Confident	84.7	Confident	10 Å²	10	60.8 Å²	60.8	7%	0.068	32%	0.322	C	S	.	.	S	Bend	trans	-75.4	-17.9	-175.8	70.1	0	0	0	0	114	H370 F371 T596 W599	C361-H370 PolarHBondContact O-CD2 3.26Å; C361-F371 HydrophobicContact CB-CD1 4.38Å; C361-F371 HydrophobicContact CB-CE1 3.59Å; C361-F371 HydrophobicContact CB-CE2 3.95Å; C361-F371 HydrophobicContact CB-CZ 3.34Å; C361-T596 PolarHBondContact SG-OG1 3.42Å; C361-W599 HydrophobicContact CB-CZ2 4.32Å
362	E	84.4	Confident	84.6	Confident	88 Å²	88	60.1 Å²	60.1	41%	0.411	32%	0.318	S	S	.	.	S	Bend	trans	-96.8	162.9	177.6	-57.4	-53.5	131.3	0	0	111.1	D360 R561	D360-E362 VanDerWaalsContact C-N 3.28Å; D360-E362 PolarHBondContact O-N 2.84Å; E362-R561 IonicContact OE1-CZ 2.74Å; E362-R561 IonicContact OE1-NH1 3.6Å; E362-R561 PolarHBondContact OE1-NH1 3.15Å; E362-R561 IonicContact OE1-NH2 3.75Å; E362-R561 PolarHBondContact OE1-NH2 2.73Å
363	A	75.1	Confident	84.6	Confident	35 Å²	35	60.2 Å²	60.2	29%	0.289	32%	0.318	S	S	.	.			trans	-96.8	110.4	167.6	0	0	0	0	0	110.2	G365 S368	A363-G365 VanDerWaalsContact C-N 3.26Å; A363-G365 PolarHBondContact O-N 3.16Å; A363-S368 VanDerWaalsContact CB-O 3.26Å; A363-S368 WeakPolarHBondContact CB-O 3.28Å
364	D	60.8	Low	84.6	Confident	133 Å²	133	59.5 Å²	59.5	71%	0.711	32%	0.318	S	S	*	.	S	Bend	trans	-70.1	78.6	171.4	-76.2	-17.7	0	0	0	111.3	S368	D364-S368 PolarHBondContact N-OG 3.42Å; D364-S368 WeakPolarHBondContact O-CB 3.5Å
365	G	60.7	Low	84.6	Confident	51 Å²	51	59.4 Å²	59.4	53%	0.526	32%	0.319	S	S	.	.	S	Bend	trans	91.8	173.9	178.8	0	0	0	0	0	114.8	A363 E367 S368	A363-G365 VanDerWaalsContact C-N 3.26Å; A363-G365 PolarHBondContact O-N 3.16Å; G365-E367 VanDerWaalsContact C-N 3.27Å; G365-E367 PolarHBondContact O-N 2.92Å; G365-S368 PolarHBondContact O-N 3.36Å; G365-S368 VanDerWaalsContact O-N 3.12Å
366	E	54.2	Low	84.5	Confident	208 Å²	208	64.9 Å²	64.9	97%	0.972	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-24	-169.1	-61.8	-170.6	151.9	0	0	114.8
367	E	55.1	Low	84.5	Confident	199 Å²	199	63.3 Å²	63.3	93%	0.93	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-11	178.2	-61.5	-168.6	155.6	0	0	113.6	G365	G365-E367 VanDerWaalsContact C-N 3.27Å; G365-E367 PolarHBondContact O-N 2.92Å
368	S	66	Low	84.5	Confident	44 Å²	44	63.1 Å²	63.1	31%	0.308	34%	0.335	S	S	.	.			trans	-84.7	147	-174.1	-170	0	0	0	0	112.5	A363 D364 G365	A363-S368 VanDerWaalsContact CB-O 3.26Å; A363-S368 WeakPolarHBondContact CB-O 3.28Å; D364-S368 PolarHBondContact N-OG 3.42Å; D364-S368 WeakPolarHBondContact O-CB 3.5Å; G365-S368 PolarHBondContact O-N 3.36Å; G365-S368 VanDerWaalsContact O-N 3.12Å
369	K	82.3	Confident	84.6	Confident	61 Å²	61	64 Å²	64	27%	0.265	33%	0.334	S	S	.	.			trans	-105.6	143.7	175.3	-52.5	171.7	-179.6	175	0	109.8	F371 H372 E406 E412	K369-F371 PolarHBondContact O-N 3.11Å; K369-H372 HydrophobicContact CB-CB 4.05Å; K369-H372 WeakPolarHBondContact O-CB 3.49Å; K369-H372 PolarHBondContact O-N 3.25Å; K369-E406 WeakPolarHBondContact CD-OE1 3.38Å; K369-E406 IonicContact NZ-OE1 3.8Å; K369-E406 PolarHBondContact NZ-OE1 3.34Å; K369-E412 IonicContact NZ-OE1 2.91Å; K369-E412 PolarHBondContact NZ-OE1 3.28Å
370	H	89.9	Confident	84.7	Confident	72 Å²	72	66.8 Å²	66.8	33%	0.333	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	134.5	170.1	-64.2	35.8	0	0	0	109.9	C361 H372 L548	C361-H370 PolarHBondContact O-CD2 3.26Å; H370-H372 VanDerWaalsContact C-N 3.3Å; H370-H372 PolarHBondContact O-N 2.92Å; H370-L548 HydrophobicContact CB-CD2 3.83Å
371	F	94.4	Very high	85	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.018	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	42.2	-177.2	-55	-83.3	0	0	0	113.7	P337 L359 D360 C361 K369 L404 L548 W557 W599	P337-F371 HydrophobicContact CG-CD1 4.08Å; P337-F371 HydrophobicContact CG-CE1 4.12Å; L359-F371 HydrophobicContact CB-CB 4.12Å; L359-F371 HydrophobicContact CB-CD1 4.33Å; L359-F371 WeakPolarHBondContact CD1-O 3.23Å; D360-F371 VanDerWaalsContact O-CA 3.22Å; D360-F371 WeakPolarHBondContact O-CA 3.32Å; D360-F371 PolarHBondContact O-N 3.46Å; C361-F371 HydrophobicContact CB-CD1 4.38Å; C361-F371 HydrophobicContact CB-CE1 3.59Å; C361-F371 HydrophobicContact CB-CE2 3.95Å; C361-F371 HydrophobicContact CB-CZ 3.34Å; K369-F371 PolarHBondContact O-N 3.11Å; F371-L404 HydrophobicContact CB-CD1 3.51Å; F371-L404 HydrophobicContact CB-CD2 3.81Å; F371-L404 HydrophobicContact CB-CG 4.33Å; F371-L404 HydrophobicContact CD1-CD2 4.46Å; F371-L404 HydrophobicContact CD2-CD2 3.72Å; F371-L404 HydrophobicContact CE2-CD2 4.36Å; F371-L404 HydrophobicContact CG-CD1 4.35Å; F371-L404 HydrophobicContact CG-CD2 3.76Å; F371-L548 HydrophobicContact CD2-CD1 4.18Å; F371-W557 AromaticContact CE2-CD1 3.71Å; F371-W557 AromaticContact CE2-NE1 3.36Å; F371-W557 AromaticContact CZ-NE1 3.53Å; F371-W599 AromaticContact CE2-CD2 3.93Å; F371-W599 HydrophobicContact CE2-CD2 3.93Å; F371-W599 AromaticContact CE2-CE2 3.71Å; F371-W599 HydrophobicContact CE2-CE3 4.15Å; F371-W599 AromaticContact CE2-CH2 3.96Å; F371-W599 HydrophobicContact CE2-CH2 3.96Å; F371-W599 AromaticContact CE2-CZ2 3.73Å; F371-W599 HydrophobicContact CE2-CZ2 3.73Å; F371-W599 HydrophobicContact CE2-CZ3 4.16Å; F371-W599 AromaticContact CZ-CD2 3.92Å; F371-W599 HydrophobicContact CZ-CD2 3.92Å; F371-W599 AromaticContact CZ-CE2 3.69Å; F371-W599 HydrophobicContact CZ-CG 4.12Å; F371-W599 HydrophobicContact CZ-CZ2 4.13Å; F371-W599 AromaticContact CZ-NE1 3.74Å
372	H	94	Very high	85.5	Confident	45 Å²	45	63.3 Å²	63.3	21%	0.208	34%	0.339	C	S	.	.			trans	-75.4	133.3	177.2	-161	30.4	0	0	0	112.5	K369 H370 E412	K369-H372 HydrophobicContact CB-CB 4.05Å; K369-H372 WeakPolarHBondContact O-CB 3.49Å; K369-H372 PolarHBondContact O-N 3.25Å; H370-H372 VanDerWaalsContact C-N 3.3Å; H370-H372 PolarHBondContact O-N 2.92Å; H372-E412 IonicContact CE1-OE1 3.19Å; H372-E412 PolarHBondContact CE1-OE1 3.04Å; H372-E412 IonicContact NE2-OE1 3.6Å
373	L	96.4	Very high	86.2	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	35%	0.348	C	S	.	.			trans	-89.8	130.5	168.5	179.9	65.3	0	0	0	109.8	P335 L359 L378 L397 Y408 F416	P335-L373 HydrophobicContact CB-CD1 4.19Å; P335-L373 HydrophobicContact CG-CD1 3.89Å; P335-L373 HydrophobicContact CG-CD2 3.75Å; P335-L373 HydrophobicContact CG-CG 4.41Å; L359-L373 HydrophobicContact CD1-CB 4.13Å; L359-L373 HydrophobicContact CD2-CB 4.28Å; L359-L373 HydrophobicContact CD2-CD1 3.83Å; L373-L378 HydrophobicContact CD1-CD1 4.45Å; L373-L378 HydrophobicContact CD1-CD2 3.86Å; L373-L378 HydrophobicContact CD1-CG 3.89Å; L373-L397 HydrophobicContact CD2-CD2 3.71Å; L373-Y408 HydrophobicContact CB-CE1 4.12Å; L373-Y408 HydrophobicContact CD2-CE1 4.27Å; L373-F416 HydrophobicContact CB-CZ 4.07Å; L373-F416 HydrophobicContact CD2-CD1 4.37Å; L373-F416 HydrophobicContact CD2-CD2 4.09Å; L373-F416 HydrophobicContact CD2-CE1 4.06Å; L373-F416 HydrophobicContact CD2-CE2 3.76Å; L373-F416 HydrophobicContact CD2-CG 4.4Å; L373-F416 HydrophobicContact CD2-CZ 3.75Å; L373-F416 HydrophobicContact CG-CE1 3.87Å; L373-F416 HydrophobicContact CG-CE2 4.26Å; L373-F416 HydrophobicContact CG-CZ 3.72Å; L373-F416 WeakPolarHBondContact O-CZ 3.4Å
374	T	96.6	Very high	87.3	Confident	38 Å²	38	69.2 Å²	69.2	23%	0.233	36%	0.357	C	S	.	.			trans	-128.7	164.5	173.5	85.5	0	0	0	0	110.7	E376 K377 L378	T374-E376 VanDerWaalsContact C-N 3.28Å; T374-E376 WeakPolarHBondContact CB-OE2 3.42Å; T374-E376 PolarHBondContact O-N 3.5Å; T374-E376 PolarHBondContact OG1-N 3.13Å; T374-E376 PolarHBondContact OG1-OE2 3.44Å; T374-K377 PolarHBondContact O-N 3.26Å; T374-K377 PolarHBondContact OG1-N 2.69Å; T374-L378 PolarHBondContact O-N 3.25Å
375	V	98.3	Very high	89.1	Confident	21 Å²	21	62.9 Å²	62.9	13%	0.127	32%	0.323	C	S	.	.	H	α-helix	trans	-66	-34.5	177.9	174	0	0	0	0	111	K377 L378 E379 A415 F416 F419	V375-K377 VanDerWaalsContact C-N 3.32Å; V375-K377 PolarHBondContact O-N 3.31Å; V375-L378 WeakPolarHBondContact O-CB 3.41Å; V375-L378 PolarHBondContact O-N 3.29Å; V375-L378 VanDerWaalsContact O-N 3.12Å; V375-E379 HydrophobicContact CG1-CG 4.22Å; V375-E379 WeakPolarHBondContact O-CG 3.47Å; V375-E379 PolarHBondContact O-N 3.17Å; V375-A415 HydrophobicContact CG2-CB 3.8Å; V375-F416 HydrophobicContact CG2-CD1 4.04Å; V375-F416 HydrophobicContact CG2-CE1 4.34Å; V375-F419 HydrophobicContact CG1-CB 4.22Å; V375-F419 HydrophobicContact CG1-CD2 4.41Å
376	E	97.6	Very high	90.8	Very high	130 Å²	130	66.2 Å²	66.2	61%	0.607	32%	0.323	S	S	*	.	H	α-helix	trans	-65	-37.6	179	-55.2	68.5	-147.2	0	0	110.9	T374 E379 A380	T374-E376 VanDerWaalsContact C-N 3.28Å; T374-E376 WeakPolarHBondContact CB-OE2 3.42Å; T374-E376 PolarHBondContact O-N 3.5Å; T374-E376 PolarHBondContact OG1-N 3.13Å; T374-E376 PolarHBondContact OG1-OE2 3.44Å; E376-E379 PolarHBondContact O-N 3.22Å; E376-A380 VanDerWaalsContact O-CB 3.23Å; E376-A380 WeakPolarHBondContact O-CB 3.3Å; E376-A380 PolarHBondContact O-N 3.19Å
377	K	97.4	Very high	92.9	Very high	41 Å²	41	63.2 Å²	63.2	18%	0.178	31%	0.309	C	S	.	.	H	α-helix	trans	-64.1	-41.6	171.3	-79.7	-175.2	168.6	-70.6	0	112.1	V357 P358 L359 D360 T374 V375 G381	V357-K377 HydrophobicContact CG1-CB 4.01Å; V357-K377 WeakPolarHBondContact CG1-O 3.43Å; P358-K377 PolarHBondContact O-NZ 2.84Å; L359-K377 HydrophobicContact CD2-CD 3.71Å; D360-K377 IonicContact OD1-NZ 2.89Å; D360-K377 PolarHBondContact OD1-NZ 3.29Å; D360-K377 WeakPolarHBondContact OD2-CE 3.34Å; D360-K377 IonicContact OD2-NZ 3.27Å; D360-K377 PolarHBondContact OD2-NZ 3.28Å; T374-K377 PolarHBondContact O-N 3.26Å; T374-K377 PolarHBondContact OG1-N 2.69Å; V375-K377 VanDerWaalsContact C-N 3.32Å; V375-K377 PolarHBondContact O-N 3.31Å; K377-G381 PolarHBondContact O-N 3.01Å
378	L	98.6	Very high	95	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.5	-43.2	175.8	-67.9	173.8	0	0	0	112.1	L333 L373 T374 V375 G381 L382 L395 F416 F419	L333-L378 HydrophobicContact CD2-CD2 4.02Å; L373-L378 HydrophobicContact CD1-CD1 4.45Å; L373-L378 HydrophobicContact CD1-CD2 3.86Å; L373-L378 HydrophobicContact CD1-CG 3.89Å; T374-L378 PolarHBondContact O-N 3.25Å; V375-L378 WeakPolarHBondContact O-CB 3.41Å; V375-L378 PolarHBondContact O-N 3.29Å; V375-L378 VanDerWaalsContact O-N 3.12Å; L378-G381 PolarHBondContact O-N 2.93Å; L378-L382 WeakPolarHBondContact O-CB 3.35Å; L378-L382 PolarHBondContact O-N 3.22Å; L378-L395 HydrophobicContact CD1-CD2 4.02Å; L378-L395 HydrophobicContact CD2-CD1 3.74Å; L378-L395 HydrophobicContact CD2-CD2 4.28Å; L378-F416 HydrophobicContact CD1-CB 4.26Å; L378-F416 HydrophobicContact CD1-CD1 3.65Å; L378-F416 HydrophobicContact CD1-CE1 4.38Å; L378-F416 HydrophobicContact CD1-CG 4.18Å; L378-F419 HydrophobicContact CB-CD1 3.93Å; L378-F419 HydrophobicContact CB-CD2 4.2Å; L378-F419 HydrophobicContact CB-CE1 3.69Å; L378-F419 HydrophobicContact CB-CE2 3.96Å; L378-F419 HydrophobicContact CB-CG 4.19Å; L378-F419 HydrophobicContact CB-CZ 3.69Å; L378-F419 HydrophobicContact CD1-CD1 3.76Å; L378-F419 HydrophobicContact CD1-CE1 4.15Å; L378-F419 HydrophobicContact CD1-CG 4.25Å; L378-F419 HydrophobicContact CD2-CE1 4.5Å; L378-F419 HydrophobicContact CG-CD1 4.39Å; L378-F419 HydrophobicContact CG-CE1 4.34Å
379	E	98.6	Very high	96.5	Very high	86 Å²	86	59.9 Å²	59.9	40%	0.402	31%	0.307	S	S	.	.	H	α-helix	trans	-66.8	-40.7	177.3	-73.2	-175.8	178	0	0	111.9	V375 E376 K383 F419 R422	V375-E379 HydrophobicContact CG1-CG 4.22Å; V375-E379 WeakPolarHBondContact O-CG 3.47Å; V375-E379 PolarHBondContact O-N 3.17Å; E376-E379 PolarHBondContact O-N 3.22Å; E379-K383 WeakPolarHBondContact O-CB 3.31Å; E379-K383 PolarHBondContact O-N 3.06Å; E379-F419 HydrophobicContact CB-CE2 4.35Å; E379-F419 HydrophobicContact CG-CD2 3.54Å; E379-F419 HydrophobicContact CG-CE2 3.52Å; E379-R422 IonicContact OE1-CZ 3.39Å; E379-R422 IonicContact OE1-NE 3.12Å; E379-R422 IonicContact OE1-NH2 2.69Å; E379-R422 PolarHBondContact OE1-NH2 2.99Å
380	A	98.4	Very high	97.2	Very high	59 Å²	59	61.3 Å²	61.3	49%	0.488	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-43.2	172.3	0	0	0	0	0	112.2	E376 K383 K384	E376-A380 VanDerWaalsContact O-CB 3.23Å; E376-A380 WeakPolarHBondContact O-CB 3.3Å; E376-A380 PolarHBondContact O-N 3.19Å; A380-K383 PolarHBondContact O-N 2.87Å; A380-K384 WeakPolarHBondContact O-CB 3.24Å; A380-K384 PolarHBondContact O-N 2.53Å
381	G	98.4	Very high	97.6	Very high	8 Å²	8	61.8 Å²	61.8	8%	0.082	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-50.3	176.3	0	0	0	0	0	112.6	F355 K377 L378 K383 K384 A385	F355-G381 VanDerWaalsContact CE1-O 3.32Å; F355-G381 WeakPolarHBondContact CE1-O 3.42Å; K377-G381 PolarHBondContact O-N 3.01Å; L378-G381 PolarHBondContact O-N 2.93Å; G381-K383 VanDerWaalsContact C-N 3.35Å; G381-K383 PolarHBondContact O-N 2.86Å; G381-K384 PolarHBondContact O-N 3.01Å; G381-A385 WeakPolarHBondContact O-CB 3.48Å; G381-A385 PolarHBondContact O-N 2.91Å
382	L	98.7	Very high	97.8	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-36.5	177.8	-178.1	60.4	0	0	0	112.6	L333 L378 A385 K386 I392 F419 N423 L425	L333-L382 HydrophobicContact CD2-CB 4.34Å; L378-L382 WeakPolarHBondContact O-CB 3.35Å; L378-L382 PolarHBondContact O-N 3.22Å; L382-A385 PolarHBondContact O-N 2.93Å; L382-K386 HydrophobicContact CD1-CD 4.37Å; L382-K386 HydrophobicContact CG-CD 4.24Å; L382-K386 WeakPolarHBondContact O-CB 3.39Å; L382-K386 WeakPolarHBondContact O-CG 3.43Å; L382-K386 PolarHBondContact O-N 3.37Å; L382-I392 HydrophobicContact CD1-CB 3.65Å; L382-I392 HydrophobicContact CD1-CG1 3.73Å; L382-I392 HydrophobicContact CD1-CG2 3.88Å; L382-F419 HydrophobicContact CB-CZ 4.07Å; L382-F419 HydrophobicContact CD2-CE2 4.04Å; L382-F419 HydrophobicContact CD2-CZ 3.71Å; L382-N423 HydrophobicContact CD2-CB 3.7Å; L382-N423 WeakPolarHBondContact CD2-OD1 3.44Å; L382-L425 HydrophobicContact CD2-CD1 4.25Å
383	K	98.5	Very high	98	Very high	137 Å²	137	63.5 Å²	63.5	60%	0.596	32%	0.321	S	S	*	.	H	α-helix	trans	-62.7	-46.6	172.9	179.4	-179.7	177.4	-177.9	0	111.2	E379 A380 G381 K386 Q387	E379-K383 WeakPolarHBondContact O-CB 3.31Å; E379-K383 PolarHBondContact O-N 3.06Å; A380-K383 PolarHBondContact O-N 2.87Å; G381-K383 VanDerWaalsContact C-N 3.35Å; G381-K383 PolarHBondContact O-N 2.86Å; K383-K386 PolarHBondContact O-N 3.39Å; K383-Q387 VanDerWaalsContact O-CG 3.31Å; K383-Q387 WeakPolarHBondContact O-CG 3.26Å; K383-Q387 PolarHBondContact O-N 3.31Å
384	K	98.6	Very high	98.2	Very high	110 Å²	110	63.4 Å²	63.4	48%	0.478	32%	0.321	S	S	.	.	H	α-helix	trans	-61.4	-44.7	176.3	-175.3	-174	164.5	-176.8	0	111.2	F355 A380 G381 K386 Q387 E388	F355-K384 HydrophobicContact CE1-CB 4.49Å; F355-K384 HydrophobicContact CZ-CB 4.23Å; F355-K384 HydrophobicContact CZ-CD 4.07Å; F355-K384 HydrophobicContact CZ-CG 4.01Å; A380-K384 WeakPolarHBondContact O-CB 3.24Å; A380-K384 PolarHBondContact O-N 2.53Å; G381-K384 PolarHBondContact O-N 3.01Å; K384-K386 PolarHBondContact O-N 2.98Å; K384-Q387 WeakPolarHBondContact O-CB 3.29Å; K384-Q387 PolarHBondContact O-N 3.21Å; K384-Q387 VanDerWaalsContact O-N 3.1Å; K384-E388 WeakPolarHBondContact CE-OE1 3.41Å; K384-E388 IonicContact NZ-OE1 3.85Å; K384-E388 PolarHBondContact O-N 2.66Å
385	A	98.3	Very high	98.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-56.6	-48.3	176.1	0	0	0	0	0	112.2	F355 G381 L382 Q387 E388 G389 W390 I392	F355-A385 HydrophobicContact CD1-CB 3.86Å; F355-A385 HydrophobicContact CD2-CB 3.76Å; F355-A385 HydrophobicContact CE1-CB 3.85Å; F355-A385 HydrophobicContact CE2-CB 3.75Å; F355-A385 HydrophobicContact CG-CB 3.82Å; F355-A385 HydrophobicContact CZ-CB 3.79Å; G381-A385 WeakPolarHBondContact O-CB 3.48Å; G381-A385 PolarHBondContact O-N 2.91Å; L382-A385 PolarHBondContact O-N 2.93Å; A385-Q387 VanDerWaalsContact C-N 3.3Å; A385-Q387 PolarHBondContact O-N 3.11Å; A385-E388 PolarHBondContact O-N 3.2Å; A385-G389 PolarHBondContact O-N 2.86Å; A385-G389 VanDerWaalsContact O-N 3.16Å; A385-W390 HydrophobicContact CB-CB 4.18Å; A385-W390 WeakPolarHBondContact O-CB 3.18Å; A385-W390 PolarHBondContact O-N 2.9Å; A385-I392 HydrophobicContact CB-CD1 3.84Å; A385-I392 HydrophobicContact CB-CG1 3.64Å
386	K	97.4	Very high	98.3	Very high	121 Å²	121	60.7 Å²	60.7	53%	0.526	30%	0.304	S	S	.	.	H	α-helix	trans	-63.3	-32.4	175.9	-71.8	170.8	177.9	174.6	0	112.7	L382 K383 K384 G389 N423	L382-K386 HydrophobicContact CD1-CD 4.37Å; L382-K386 HydrophobicContact CG-CD 4.24Å; L382-K386 WeakPolarHBondContact O-CB 3.39Å; L382-K386 WeakPolarHBondContact O-CG 3.43Å; L382-K386 PolarHBondContact O-N 3.37Å; K383-K386 PolarHBondContact O-N 3.39Å; K384-K386 PolarHBondContact O-N 2.98Å; K386-G389 PolarHBondContact O-N 3.35Å; K386-N423 PolarHBondContact NZ-OD1 2.65Å
387	Q	98.2	Very high	98.4	Very high	146 Å²	146	54.5 Å²	54.5	68%	0.682	28%	0.275	S	S	*	.	H	α-helix	trans	-72.7	-32.8	174.6	-73.3	174.3	-43.7	0	0	113.3	K383 K384 A385 G389	K383-Q387 VanDerWaalsContact O-CG 3.31Å; K383-Q387 WeakPolarHBondContact O-CG 3.26Å; K383-Q387 PolarHBondContact O-N 3.31Å; K384-Q387 WeakPolarHBondContact O-CB 3.29Å; K384-Q387 PolarHBondContact O-N 3.21Å; K384-Q387 VanDerWaalsContact O-N 3.1Å; A385-Q387 VanDerWaalsContact C-N 3.3Å; A385-Q387 PolarHBondContact O-N 3.11Å; Q387-G389 VanDerWaalsContact C-N 3.26Å
388	E	97.9	Very high	98.4	Very high	106 Å²	106	52.7 Å²	52.7	50%	0.495	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.5	174	-73.6	176.9	-166.3	0	0	113.3	F355 K384 A385 W390	F355-E388 WeakPolarHBondContact CE2-OE2 3.42Å; K384-E388 WeakPolarHBondContact CE-OE1 3.41Å; K384-E388 IonicContact NZ-OE1 3.85Å; K384-E388 PolarHBondContact O-N 2.66Å; A385-E388 PolarHBondContact O-N 3.2Å; E388-W390 PolarHBondContact OE2-NE1 3.45Å
389	G	97.6	Very high	98.3	Very high	67 Å²	67	52.7 Å²	52.7	69%	0.691	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	12.6	176.7	0	0	0	0	0	115.3	A385 K386 Q387	A385-G389 PolarHBondContact O-N 2.86Å; A385-G389 VanDerWaalsContact O-N 3.16Å; K386-G389 PolarHBondContact O-N 3.35Å; Q387-G389 VanDerWaalsContact C-N 3.26Å
390	W	98.2	Very high	98.3	Very high	90 Å²	90	48.7 Å²	48.7	34%	0.341	25%	0.248	S	C	.	.			trans	-75.7	134.7	177.5	-64.1	98.4	0	0	0	112.4	A331 K353 F355 A385 E388 I392	A331-W390 HydrophobicContact CB-CD2 4.41Å; A331-W390 HydrophobicContact CB-CE3 3.79Å; A331-W390 HydrophobicContact CB-CZ3 4.32Å; K353-W390 HydrophobicContact CB-CH2 4.28Å; K353-W390 HydrophobicContact CB-CZ3 3.95Å; K353-W390 HydrophobicContact CG-CH2 4.08Å; K353-W390 HydrophobicContact CG-CZ3 3.77Å; F355-W390 AromaticContact CD2-CD1 3.56Å; F355-W390 HydrophobicContact CD2-CD2 4.39Å; F355-W390 AromaticContact CD2-CG 3.97Å; F355-W390 HydrophobicContact CD2-CG 3.97Å; F355-W390 AromaticContact CD2-NE1 3.73Å; F355-W390 AromaticContact CE2-CD1 3.47Å; F355-W390 VanDerWaalsContact CE2-CD1 3.47Å; F355-W390 HydrophobicContact CE2-CG 4.31Å; F355-W390 AromaticContact CE2-NE1 3.61Å; A385-W390 HydrophobicContact CB-CB 4.18Å; A385-W390 WeakPolarHBondContact O-CB 3.18Å; A385-W390 PolarHBondContact O-N 2.9Å; E388-W390 PolarHBondContact OE2-NE1 3.45Å; W390-I392 HydrophobicContact CB-CD1 3.95Å; W390-I392 HydrophobicContact CB-CG1 4.5Å
391	N	98.1	Very high	98.2	Very high	83 Å²	83	45.9 Å²	45.9	44%	0.444	23%	0.225	S	C	.	.			trans	-84.4	112.7	164	-171.8	28	0	0	0	109	D330 A331	D330-N391 VanDerWaalsContact CG-ND2 3.28Å; D330-N391 WeakPolarHBondContact OD1-CB 3.39Å; D330-N391 PolarHBondContact OD1-ND2 2.99Å; D330-N391 PolarHBondContact OD2-ND2 3.5Å; A331-N391 PolarHBondContact N-O 3.35Å
392	I	98.6	Very high	98.2	Very high	15 Å²	15	45.7 Å²	45.7	8%	0.077	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.9	179.9	-56.7	-55.6	0	0	0	109.6	A331 L333 F355 L382 A385 W390 L425	A331-I392 HydrophobicContact CB-CD1 3.69Å; A331-I392 WeakPolarHBondContact O-CA 3.27Å; L333-I392 HydrophobicContact CB-CG2 4.06Å; F355-I392 HydrophobicContact CB-CD1 3.88Å; F355-I392 HydrophobicContact CG-CD1 4.35Å; L382-I392 HydrophobicContact CD1-CB 3.65Å; L382-I392 HydrophobicContact CD1-CG1 3.73Å; L382-I392 HydrophobicContact CD1-CG2 3.88Å; A385-I392 HydrophobicContact CB-CD1 3.84Å; A385-I392 HydrophobicContact CB-CG1 3.64Å; W390-I392 HydrophobicContact CB-CD1 3.95Å; W390-I392 HydrophobicContact CB-CG1 4.5Å; I392-L425 HydrophobicContact CB-CD2 4.4Å; I392-L425 HydrophobicContact CG2-CD1 4.19Å; I392-L425 HydrophobicContact CG2-CD2 3.92Å; I392-L425 WeakPolarHBondContact O-CD2 3.36Å
393	R	98.6	Very high	98.1	Very high	70 Å²	70	45.5 Å²	45.5	26%	0.264	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-27.1	-174.1	-59.6	-70.2	-76.6	-107.2	0.7	114	I325 C326 D327 D330 A331 H426	I325-R393 PolarHBondContact O-NE 2.86Å; I325-R393 PolarHBondContact O-NH2 3.22Å; C326-R393 HydrophobicContact CB-CG 4.31Å; C326-R393 VanDerWaalsContact SG-CB 3.59Å; D327-R393 IonicContact OD2-CZ 3.34Å; D327-R393 IonicContact OD2-NH1 3.04Å; D327-R393 PolarHBondContact OD2-NH1 3.03Å; D327-R393 IonicContact OD2-NH2 3.52Å; D330-R393 HydrophobicContact CB-CG 3.77Å; D330-R393 VanDerWaalsContact OD2-CD 3.27Å; D330-R393 WeakPolarHBondContact OD2-CD 3.42Å; D330-R393 WeakPolarHBondContact OD2-CG 3.42Å; D330-R393 IonicContact OD2-CZ 3.55Å; D330-R393 IonicContact OD2-NE 2.79Å; D330-R393 IonicContact OD2-NH1 2.71Å; D330-R393 PolarHBondContact OD2-NH1 3.07Å; A331-R393 PolarHBondContact O-N 3.1Å; A331-R393 VanDerWaalsContact O-N 3.07Å; R393-H426 PolarHBondContact O-N 3.16Å
394	A	98.8	Very high	98.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	169	-174.4	0	0	0	0	0	112.7	I325 I332 L333 H426 I428	I325-A394 HydrophobicContact CD1-CB 3.86Å; I332-A394 HydrophobicContact CB-CB 4.49Å; I332-A394 HydrophobicContact CD1-CB 4.42Å; I332-A394 HydrophobicContact CG1-CB 4.09Å; I332-A394 HydrophobicContact CG2-CB 3.94Å; L333-A394 WeakPolarHBondContact CB-O 3.3Å; L333-A394 PolarHBondContact N-O 2.85Å; A394-H426 CarbonylContact C-O 3.4Å; A394-H426 WeakPolarHBondContact CA-O 3.41Å; A394-H426 HydrophobicContact CB-CB 3.85Å; A394-H426 WeakPolarHBondContact CB-O 3.4Å; A394-I428 HydrophobicContact CB-CD1 4.36Å
395	L	98.9	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.8	169.3	168.1	61.1	0	0	0	108.5	L333 L378 L397 F419 H426 I428	L333-L395 HydrophobicContact CB-CD1 4.18Å; L333-L395 HydrophobicContact CD2-CD1 4.32Å; L333-L395 HydrophobicContact CG-CD1 4.32Å; L333-L395 CarbonylContact O-C 3.54Å; L333-L395 WeakPolarHBondContact O-CA 3.42Å; L378-L395 HydrophobicContact CD1-CD2 4.02Å; L378-L395 HydrophobicContact CD2-CD1 3.74Å; L378-L395 HydrophobicContact CD2-CD2 4.28Å; L395-L397 HydrophobicContact CD1-CD2 4.22Å; L395-L397 HydrophobicContact CD2-CD1 4.44Å; L395-L397 HydrophobicContact CD2-CD2 4.21Å; L395-L397 HydrophobicContact CD2-CG 4.31Å; L395-L397 HydrophobicContact CG-CD2 4.19Å; L395-L397 HydrophobicContact CG-CG 4.15Å; L395-F419 HydrophobicContact CD2-CD1 4.04Å; L395-F419 HydrophobicContact CD2-CE1 4.17Å; L395-H426 PolarHBondContact N-O 3.45Å; L395-I428 PolarHBondContact O-N 2.86Å
396	I	98.9	Very high	97.9	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.2	169.5	-71.4	164.3	0	0	0	109.9	F318 I332 L333 I334 P335 I342 L354 I428	F318-I396 HydrophobicContact CD1-CD1 4.25Å; F318-I396 HydrophobicContact CE1-CD1 4.09Å; F318-I396 HydrophobicContact CE1-CG1 4.3Å; F318-I396 HydrophobicContact CE1-CG2 4.3Å; I332-I396 HydrophobicContact CG2-CB 4.47Å; I332-I396 HydrophobicContact CG2-CD1 3.62Å; I332-I396 HydrophobicContact CG2-CG1 3.67Å; L333-I396 PolarHBondContact O-N 3.08Å; I334-I396 HydrophobicContact CB-CB 4.49Å; I334-I396 HydrophobicContact CD1-CB 3.98Å; I334-I396 HydrophobicContact CD1-CD1 4.27Å; I334-I396 HydrophobicContact CD1-CG2 3.76Å; I334-I396 HydrophobicContact CG1-CB 4.04Å; I334-I396 HydrophobicContact CG1-CG2 4.12Å; P335-I396 VanDerWaalsContact CD-O 3.29Å; P335-I396 WeakPolarHBondContact CD-O 3.46Å; I342-I396 HydrophobicContact CG2-CD1 3.86Å; L354-I396 HydrophobicContact CD2-CD1 4.25Å; I396-I428 WeakPolarHBondContact CA-O 3.4Å; I396-I428 HydrophobicContact CG1-CB 4.07Å; I396-I428 HydrophobicContact CG1-CD1 4.2Å; I396-I428 HydrophobicContact CG1-CG2 4.5Å
397	L	98.7	Very high	97.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	148.3	171.1	-61.2	173.7	0	0	0	109.2	L373 L395 Y408 M413 F416 I428 V429 D430	L373-L397 HydrophobicContact CD2-CD2 3.71Å; L395-L397 HydrophobicContact CD1-CD2 4.22Å; L395-L397 HydrophobicContact CD2-CD1 4.44Å; L395-L397 HydrophobicContact CD2-CD2 4.21Å; L395-L397 HydrophobicContact CD2-CG 4.31Å; L395-L397 HydrophobicContact CG-CD2 4.19Å; L395-L397 HydrophobicContact CG-CG 4.15Å; L397-Y408 HydrophobicContact CB-CE2 4.48Å; L397-Y408 HydrophobicContact CD2-CE2 4.45Å; L397-M413 HydrophobicContact CD1-SD 3.83Å; L397-F416 HydrophobicContact CD1-CB 3.89Å; L397-F416 HydrophobicContact CD1-CD2 4.2Å; L397-F416 HydrophobicContact CD1-CG 4.49Å; L397-F416 HydrophobicContact CD2-CD2 4.26Å; L397-I428 PolarHBondContact N-O 3.04Å; L397-V429 HydrophobicContact CB-CG1 4.25Å; L397-V429 HydrophobicContact CB-CG2 4.34Å; L397-V429 HydrophobicContact CD1-CG2 4.39Å; L397-V429 WeakPolarHBondContact O-CA 3.36Å; L397-D430 PolarHBondContact O-N 3.47Å
398	M	98	Very high	97.7	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.015	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.3	174.4	-61.7	169.9	-73.4	0	0	109.7	F338 I342 H401 N402 Y408 D430	F338-M398 HydrophobicContact CB-CE 3.55Å; I342-M398 HydrophobicContact CD1-SD 4.08Å; M398-H401 WeakPolarHBondContact CE-NE2 3.49Å; M398-H401 WeakPolarHBondContact O-CA 3.37Å; M398-H401 PolarHBondContact O-CD2 2.89Å; M398-N402 WeakPolarHBondContact CE-O 3.34Å; M398-N402 HydrophobicContact SD-CB 3.97Å; M398-Y408 WeakPolarHBondContact O-CE2 3.4Å; M398-D430 CarbonylContact C-O 3.59Å; M398-D430 WeakPolarHBondContact CA-O 3.42Å; M398-D430 HydrophobicContact CG-CB 4.2Å
399	N	97.4	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-150.9	100.5	-171.9	-176.1	44.4	0	0	0	110.9	Y408 M413 D430 E431 F444 H445	N399-Y408 HydrophobicContact CB-CD2 4.03Å; N399-Y408 PolarHBondContact OD1-N 3.09Å; N399-M413 HydrophobicContact CB-CE 3.94Å; N399-D430 PolarHBondContact N-O 3.41Å; N399-E431 PolarHBondContact ND2-OE1 2.88Å; N399-E431 WeakPolarHBondContact O-CA 3.21Å; N399-E431 WeakPolarHBondContact O-CB 3.45Å; N399-E431 WeakPolarHBondContact O-CG 3.45Å; N399-F444 WeakPolarHBondContact ND2-CE2 3.21Å; N399-F444 WeakPolarHBondContact O-CE2 3.43Å; N399-F444 WeakPolarHBondContact O-CZ 3.44Å; N399-H445 PolarHBondContact ND2-O 3.13Å; N399-H445 VanDerWaalsContact ND2-O 3.14Å
400	P	97.6	Very high	97.5	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.105	C	C	.	.	S	Bend	cis	-61.1	147.1	-0.5	-22.4	31	0	0	0	115.3	L407 V437 F444 A552	P400-L407 HydrophobicContact CB-CD2 3.55Å; P400-L407 HydrophobicContact CG-CD2 3.53Å; P400-V437 HydrophobicContact CG-CG2 4.11Å; P400-F444 HydrophobicContact CG-CD2 4.39Å; P400-F444 HydrophobicContact CG-CE2 4.34Å; P400-A552 HydrophobicContact CB-CB 4.12Å; P400-A552 HydrophobicContact CG-CB 4.33Å
401	H	97.8	Very high	97.4	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.125	C	C	.	.			trans	-79.3	147.8	-170.5	-162.1	-92.3	0	0	0	114.6	P337 M398 L404 A405 E406 Y408 Y555	P337-H401 PolarHBondContact O-CE1 3.02Å; P337-H401 VanDerWaalsContact O-CE1 3.24Å; M398-H401 WeakPolarHBondContact CE-NE2 3.49Å; M398-H401 WeakPolarHBondContact O-CA 3.37Å; M398-H401 PolarHBondContact O-CD2 2.89Å; H401-L404 HydrophobicContact CB-CB 4.35Å; H401-L404 WeakPolarHBondContact ND1-CD1 3.47Å; H401-L404 WeakPolarHBondContact ND1-CG 3.33Å; H401-A405 WeakPolarHBondContact O-CA 3.35Å; H401-A405 PolarHBondContact O-N 2.89Å; H401-E406 HydrophobicContact CB-CB 4.23Å; H401-E406 WeakPolarHBondContact CB-O 3.41Å; H401-E406 PolarHBondContact N-O 2.92Å; H401-Y408 PolarHBondContact CD2-OH 2.94Å; H401-Y555 PolarHBondContact O-OH 3.24Å
402	N	97.5	Very high	97.4	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	107.8	-178.9	-175	3.2	0	0	0	109.7	F338 Y339 M398 Y433 Y555 R601	F338-N402 CarbonylContact C-O 3.53Å; F338-N402 WeakPolarHBondContact CA-O 3.33Å; Y339-N402 WeakPolarHBondContact CB-ND2 3.18Å; Y339-N402 PolarHBondContact N-O 2.72Å; M398-N402 WeakPolarHBondContact CE-O 3.34Å; M398-N402 HydrophobicContact SD-CB 3.97Å; N402-Y433 HydrophobicContact CB-CE2 4.07Å; N402-Y433 PolarHBondContact ND2-OH 2.91Å; N402-Y555 VanDerWaalsContact CA-OH 3.25Å; N402-Y555 WeakPolarHBondContact CA-OH 3.34Å; N402-Y555 WeakPolarHBondContact CB-OH 3.43Å; N402-R601 PolarHBondContact OD1-NH1 3.19Å
403	P	97.6	Very high	97.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	cis	-103.1	0.1	26.6	38.7	-37	0	0	0	116.1	P337 A405 Y555 W557 F592 R601	P337-P403 HydrophobicContact CB-CG 4.07Å; P337-P403 HydrophobicContact CG-CG 4.15Å; P403-A405 PolarHBondContact O-N 3.34Å; P403-Y555 VanDerWaalsContact O-CD2 3.27Å; P403-Y555 WeakPolarHBondContact O-CD2 3.46Å; P403-Y555 WeakPolarHBondContact O-CE2 3.46Å; P403-W557 HydrophobicContact CB-CD2 4.18Å; P403-W557 HydrophobicContact CB-CE3 3.52Å; P403-W557 HydrophobicContact CB-CH2 4.27Å; P403-W557 HydrophobicContact CB-CZ3 3.59Å; P403-W557 HydrophobicContact CG-CD2 3.89Å; P403-W557 HydrophobicContact CG-CE3 3.58Å; P403-W557 HydrophobicContact CG-CH2 3.6Å; P403-W557 HydrophobicContact CG-CZ2 3.94Å; P403-W557 HydrophobicContact CG-CZ3 3.44Å; P403-W557 VanDerWaalsContact CG-CZ3 3.44Å; P403-F592 HydrophobicContact CB-CD1 3.77Å; P403-F592 HydrophobicContact CB-CE1 3.87Å; P403-F592 HydrophobicContact CB-CG 4.3Å; P403-F592 HydrophobicContact CB-CZ 4.46Å; P403-F592 HydrophobicContact CG-CB 4.21Å; P403-F592 HydrophobicContact CG-CD1 3.74Å; P403-F592 HydrophobicContact CG-CE1 4.36Å; P403-F592 HydrophobicContact CG-CG 3.97Å; P403-R601 HydrophobicContact CB-CB 4.36Å; P403-R601 HydrophobicContact CB-CG 4.25Å
404	L	97.5	Very high	97.4	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-22.7	-166	-56.4	175.5	0	0	0	115.8	P337 F371 H401 E406 L548 W557	P337-L404 HydrophobicContact CG-CD2 3.8Å; P337-L404 HydrophobicContact CG-CG 4.36Å; F371-L404 HydrophobicContact CB-CD1 3.51Å; F371-L404 HydrophobicContact CB-CD2 3.81Å; F371-L404 HydrophobicContact CB-CG 4.33Å; F371-L404 HydrophobicContact CD1-CD2 4.46Å; F371-L404 HydrophobicContact CD2-CD2 3.72Å; F371-L404 HydrophobicContact CE2-CD2 4.36Å; F371-L404 HydrophobicContact CG-CD1 4.35Å; F371-L404 HydrophobicContact CG-CD2 3.76Å; H401-L404 HydrophobicContact CB-CB 4.35Å; H401-L404 WeakPolarHBondContact ND1-CD1 3.47Å; H401-L404 WeakPolarHBondContact ND1-CG 3.33Å; L404-E406 HydrophobicContact CB-CB 4.32Å; L404-E406 PolarHBondContact O-N 2.95Å; L404-E406 VanDerWaalsContact O-N 3.12Å; L404-L548 HydrophobicContact CB-CD1 4.16Å; L404-L548 HydrophobicContact CD2-CD1 3.73Å; L404-W557 HydrophobicContact CD2-CG 4.12Å
405	A	97	Very high	97.4	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.017	13%	0.129	C	C	.	.			trans	57.3	13.1	-168.3	0	0	0	0	0	115.5	H401 P403 R550 A552 A553 Y555	H401-A405 WeakPolarHBondContact O-CA 3.35Å; H401-A405 PolarHBondContact O-N 2.89Å; P403-A405 PolarHBondContact O-N 3.34Å; A405-R550 HydrophobicContact CB-CB 3.82Å; A405-R550 WeakPolarHBondContact O-CB 3.44Å; A405-A552 HydrophobicContact CB-CB 4.48Å; A405-A553 HydrophobicContact CB-CB 4.29Å; A405-Y555 HydrophobicContact CB-CE2 4.14Å
406	E	94.9	Very high	97.4	Very high	17 Å²	17	24.5 Å²	24.5	8%	0.079	13%	0.129	C	C	.	.			trans	-60.9	148.4	168.8	-170	69.2	-167.3	0	0	110.8	K369 H401 L404 R550	K369-E406 WeakPolarHBondContact CD-OE1 3.38Å; K369-E406 IonicContact NZ-OE1 3.8Å; K369-E406 PolarHBondContact NZ-OE1 3.34Å; H401-E406 HydrophobicContact CB-CB 4.23Å; H401-E406 WeakPolarHBondContact CB-O 3.41Å; H401-E406 PolarHBondContact N-O 2.92Å; L404-E406 HydrophobicContact CB-CB 4.32Å; L404-E406 PolarHBondContact O-N 2.95Å; L404-E406 VanDerWaalsContact O-N 3.12Å; E406-R550 IonicContact OE1-NH2 3.04Å; E406-R550 IonicContact OE2-CZ 3.29Å; E406-R550 IonicContact OE2-NE 3.2Å; E406-R550 PolarHBondContact OE2-NE 3.14Å; E406-R550 IonicContact OE2-NH2 2.69Å; E406-R550 PolarHBondContact OE2-NH2 2.99Å
407	L	95.8	Very high	97.4	Very high	30 Å²	30	24.6 Å²	24.6	16%	0.157	13%	0.13	C	C	.	.			trans	-112.7	134.4	169.9	-54	-176.4	0	0	0	108.6	P400 V437 V442 F444 A552	P400-L407 HydrophobicContact CB-CD2 3.55Å; P400-L407 HydrophobicContact CG-CD2 3.53Å; L407-V437 HydrophobicContact CD1-CG1 4.44Å; L407-V437 HydrophobicContact CD1-CG2 4.13Å; L407-V437 HydrophobicContact CD2-CG2 4.1Å; L407-V442 HydrophobicContact CD1-CG1 3.43Å; L407-V442 VanDerWaalsContact CD1-CG1 3.43Å; L407-F444 HydrophobicContact CD2-CD2 4.34Å; L407-A552 HydrophobicContact CD2-CB 3.94Å
408	Y	96.2	Very high	97.4	Very high	11 Å²	11	27.6 Å²	27.6	4%	0.043	14%	0.144	C	C	.	.			trans	-81.7	132.7	170.2	-59.5	-51.6	0	0	0	110.1	L373 L397 M398 N399 H401 M413 F416	L373-Y408 HydrophobicContact CB-CE1 4.12Å; L373-Y408 HydrophobicContact CD2-CE1 4.27Å; L397-Y408 HydrophobicContact CB-CE2 4.48Å; L397-Y408 HydrophobicContact CD2-CE2 4.45Å; M398-Y408 WeakPolarHBondContact O-CE2 3.4Å; N399-Y408 HydrophobicContact CB-CD2 4.03Å; N399-Y408 PolarHBondContact OD1-N 3.09Å; H401-Y408 PolarHBondContact CD2-OH 2.94Å; Y408-M413 HydrophobicContact CD2-CE 3.79Å; Y408-M413 HydrophobicContact CG-CE 4.49Å; Y408-F416 AromaticContact CD1-CE2 3.72Å; Y408-F416 HydrophobicContact CD1-CE2 3.72Å; Y408-F416 HydrophobicContact CD1-CZ 4.41Å; Y408-F416 HydrophobicContact CD2-CE2 4.34Å; Y408-F416 AromaticContact CE1-CE2 3.89Å; Y408-F416 HydrophobicContact CE1-CE2 3.89Å; Y408-F416 HydrophobicContact CE1-CZ 4.43Å; Y408-F416 HydrophobicContact CE2-CE2 4.48Å; Y408-F416 AromaticContact CG-CE2 3.96Å; Y408-F416 HydrophobicContact CG-CE2 3.96Å
409	T	95.7	Very high	97.4	Very high	61 Å²	61	27.4 Å²	27.4	37%	0.374	14%	0.143	S	C	.	.			trans	-67	157.4	168.6	65.4	0	0	0	0	110.5	K411 E412 M413	T409-K411 PolarHBondContact O-N 3.37Å; T409-K411 VanDerWaalsContact O-N 3.11Å; T409-E412 WeakPolarHBondContact CA-OE2 3.42Å; T409-E412 VanDerWaalsContact CB-OE2 3.25Å; T409-E412 WeakPolarHBondContact CB-OE2 3.33Å; T409-E412 VanDerWaalsContact CG2-OE2 3.3Å; T409-E412 WeakPolarHBondContact CG2-OE2 3.39Å; T409-E412 PolarHBondContact N-OE2 3.07Å; T409-E412 PolarHBondContact O-N 2.92Å; T409-E412 WeakPolarHBondContact OG1-CG 3.44Å; T409-E412 PolarHBondContact OG1-N 2.71Å; T409-E412 PolarHBondContact OG1-OE2 2.91Å; T409-M413 PolarHBondContact O-N 2.73Å
410	P	95.9	Very high	97.5	Very high	50 Å²	50	27.5 Å²	27.5	33%	0.325	14%	0.144	S	C	.	.	H	α-helix	trans	-54.2	-32.2	174.7	-28.4	35.6	0	0	0	113.9	I414 H445	P410-I414 WeakPolarHBondContact O-CB 3.45Å; P410-I414 WeakPolarHBondContact O-CD1 3.4Å; P410-I414 WeakPolarHBondContact O-CG1 3.44Å; P410-I414 PolarHBondContact O-N 3.43Å; P410-H445 HydrophobicContact CG-CB 3.81Å
411	K	96.6	Very high	97.5	Very high	178 Å²	178	31.3 Å²	31.3	77%	0.774	16%	0.16	S	C	*	.	H	α-helix	trans	-70.4	-48.7	178.9	-67.8	-176.9	179	179.5	0	112.1	T409 A415	T409-K411 PolarHBondContact O-N 3.37Å; T409-K411 VanDerWaalsContact O-N 3.11Å; K411-A415 WeakPolarHBondContact O-CB 3.37Å; K411-A415 PolarHBondContact O-N 2.88Å
412	E	97.4	Very high	97.6	Very high	36 Å²	36	37.4 Å²	37.4	17%	0.168	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-47.9	176.7	-68.4	153.2	154.2	0	0	109.9	K369 H372 T409 I414 A415 F416	K369-E412 IonicContact NZ-OE1 2.91Å; K369-E412 PolarHBondContact NZ-OE1 3.28Å; H372-E412 IonicContact CE1-OE1 3.19Å; H372-E412 PolarHBondContact CE1-OE1 3.04Å; H372-E412 IonicContact NE2-OE1 3.6Å; T409-E412 WeakPolarHBondContact CA-OE2 3.42Å; T409-E412 VanDerWaalsContact CB-OE2 3.25Å; T409-E412 WeakPolarHBondContact CB-OE2 3.33Å; T409-E412 VanDerWaalsContact CG2-OE2 3.3Å; T409-E412 WeakPolarHBondContact CG2-OE2 3.39Å; T409-E412 PolarHBondContact N-OE2 3.07Å; T409-E412 PolarHBondContact O-N 2.92Å; T409-E412 WeakPolarHBondContact OG1-CG 3.44Å; T409-E412 PolarHBondContact OG1-N 2.71Å; T409-E412 PolarHBondContact OG1-OE2 2.91Å; E412-I414 PolarHBondContact O-N 2.98Å; E412-A415 WeakPolarHBondContact O-CB 3.2Å; E412-A415 PolarHBondContact O-N 3.37Å; E412-A415 VanDerWaalsContact O-N 3.14Å; E412-F416 HydrophobicContact CB-CE2 3.88Å; E412-F416 HydrophobicContact CB-CZ 3.88Å; E412-F416 WeakPolarHBondContact O-CD2 3.18Å; E412-F416 WeakPolarHBondContact O-CG 3.24Å; E412-F416 PolarHBondContact O-N 3.32Å
413	M	98.3	Very high	97.6	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-60	-47.5	179	-176.1	59.2	78.9	0	0	112.9	L397 N399 Y408 T409 A415 F416 L417 V429 V447 I450	L397-M413 HydrophobicContact CD1-SD 3.83Å; N399-M413 HydrophobicContact CB-CE 3.94Å; Y408-M413 HydrophobicContact CD2-CE 3.79Å; Y408-M413 HydrophobicContact CG-CE 4.49Å; T409-M413 PolarHBondContact O-N 2.73Å; M413-A415 VanDerWaalsContact C-N 3.29Å; M413-A415 PolarHBondContact O-N 3.34Å; M413-F416 PolarHBondContact O-N 2.92Å; M413-L417 HydrophobicContact CG-CD1 4.18Å; M413-L417 WeakPolarHBondContact O-CG 3.33Å; M413-L417 PolarHBondContact O-N 2.87Å; M413-L417 HydrophobicContact SD-CD1 4.38Å; M413-L417 HydrophobicContact SD-CG 4.36Å; M413-V429 HydrophobicContact CE-CG1 3.97Å; M413-V447 HydrophobicContact CE-CG2 3.75Å; M413-V447 HydrophobicContact CG-CG2 3.65Å; M413-V447 HydrophobicContact SD-CG2 3.54Å; M413-V447 VanDerWaalsContact SD-CG2 3.54Å; M413-I450 HydrophobicContact CG-CD1 4.25Å
414	I	98.5	Very high	97.7	Very high	70 Å²	70	44.6 Å²	44.6	36%	0.359	22%	0.222	S	C	.	.	H	α-helix	trans	-61.3	-38.8	175.6	-71.2	167.2	0	0	0	111	P410 E412 L417 E418 I450	P410-I414 WeakPolarHBondContact O-CB 3.45Å; P410-I414 WeakPolarHBondContact O-CD1 3.4Å; P410-I414 WeakPolarHBondContact O-CG1 3.44Å; P410-I414 PolarHBondContact O-N 3.43Å; E412-I414 PolarHBondContact O-N 2.98Å; I414-L417 PolarHBondContact O-N 2.83Å; I414-E418 WeakPolarHBondContact O-CB 3.41Å; I414-E418 PolarHBondContact O-N 3.01Å; I414-I450 HydrophobicContact CD1-CG2 4.24Å; I414-I450 HydrophobicContact CG1-CD1 3.91Å; I414-I450 HydrophobicContact CG1-CG2 4.29Å
415	A	98.6	Very high	97.7	Very high	37 Å²	37	44.7 Å²	44.7	31%	0.306	22%	0.222	S	C	.	.	H	α-helix	trans	-66.3	-37.3	178.2	0	0	0	0	0	112.8	V375 K411 E412 M413 F419	V375-A415 HydrophobicContact CG2-CB 3.8Å; K411-A415 WeakPolarHBondContact O-CB 3.37Å; K411-A415 PolarHBondContact O-N 2.88Å; E412-A415 WeakPolarHBondContact O-CB 3.2Å; E412-A415 PolarHBondContact O-N 3.37Å; E412-A415 VanDerWaalsContact O-N 3.14Å; M413-A415 VanDerWaalsContact C-N 3.29Å; M413-A415 PolarHBondContact O-N 3.34Å; A415-F419 WeakPolarHBondContact O-CB 3.16Å; A415-F419 PolarHBondContact O-N 3.1Å
416	F	98.8	Very high	97.8	Very high	3 Å²	3	45.7 Å²	45.7	1%	0.013	23%	0.226	C	C	.	.	H	α-helix	trans	-69	-39.5	173.9	-52.7	-33.9	0	0	0	112.3	L373 V375 L378 L397 Y408 E412 M413 F419 A420	L373-F416 HydrophobicContact CB-CZ 4.07Å; L373-F416 HydrophobicContact CD2-CD1 4.37Å; L373-F416 HydrophobicContact CD2-CD2 4.09Å; L373-F416 HydrophobicContact CD2-CE1 4.06Å; L373-F416 HydrophobicContact CD2-CE2 3.76Å; L373-F416 HydrophobicContact CD2-CG 4.4Å; L373-F416 HydrophobicContact CD2-CZ 3.75Å; L373-F416 HydrophobicContact CG-CE1 3.87Å; L373-F416 HydrophobicContact CG-CE2 4.26Å; L373-F416 HydrophobicContact CG-CZ 3.72Å; L373-F416 WeakPolarHBondContact O-CZ 3.4Å; V375-F416 HydrophobicContact CG2-CD1 4.04Å; V375-F416 HydrophobicContact CG2-CE1 4.34Å; L378-F416 HydrophobicContact CD1-CB 4.26Å; L378-F416 HydrophobicContact CD1-CD1 3.65Å; L378-F416 HydrophobicContact CD1-CE1 4.38Å; L378-F416 HydrophobicContact CD1-CG 4.18Å; L397-F416 HydrophobicContact CD1-CB 3.89Å; L397-F416 HydrophobicContact CD1-CD2 4.2Å; L397-F416 HydrophobicContact CD1-CG 4.49Å; L397-F416 HydrophobicContact CD2-CD2 4.26Å; Y408-F416 AromaticContact CD1-CE2 3.72Å; Y408-F416 HydrophobicContact CD1-CE2 3.72Å; Y408-F416 HydrophobicContact CD1-CZ 4.41Å; Y408-F416 HydrophobicContact CD2-CE2 4.34Å; Y408-F416 AromaticContact CE1-CE2 3.89Å; Y408-F416 HydrophobicContact CE1-CE2 3.89Å; Y408-F416 HydrophobicContact CE1-CZ 4.43Å; Y408-F416 HydrophobicContact CE2-CE2 4.48Å; Y408-F416 AromaticContact CG-CE2 3.96Å; Y408-F416 HydrophobicContact CG-CE2 3.96Å; E412-F416 HydrophobicContact CB-CE2 3.88Å; E412-F416 HydrophobicContact CB-CZ 3.88Å; E412-F416 WeakPolarHBondContact O-CD2 3.18Å; E412-F416 WeakPolarHBondContact O-CG 3.24Å; E412-F416 PolarHBondContact O-N 3.32Å; M413-F416 PolarHBondContact O-N 2.92Å; F416-F419 WeakPolarHBondContact O-CB 3.25Å; F416-F419 PolarHBondContact O-N 3.41Å; F416-A420 PolarHBondContact O-N 3.04Å
417	L	98.8	Very high	98	Very high	3 Å²	3	45 Å²	45	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-68.7	-39.3	176.4	-68.2	174.4	0	0	0	112.1	M413 I414 F419 A420 K421 A427 V447 I450 L453 P454 T459	M413-L417 HydrophobicContact CG-CD1 4.18Å; M413-L417 WeakPolarHBondContact O-CG 3.33Å; M413-L417 PolarHBondContact O-N 2.87Å; M413-L417 HydrophobicContact SD-CD1 4.38Å; M413-L417 HydrophobicContact SD-CG 4.36Å; I414-L417 PolarHBondContact O-N 2.83Å; L417-F419 VanDerWaalsContact C-N 3.33Å; L417-A420 PolarHBondContact O-N 3.11Å; L417-K421 WeakPolarHBondContact O-CB 3.4Å; L417-K421 PolarHBondContact O-N 2.74Å; L417-A427 HydrophobicContact CD2-CB 3.44Å; L417-A427 VanDerWaalsContact CD2-CB 3.44Å; L417-V447 HydrophobicContact CD1-CG1 4.18Å; L417-V447 HydrophobicContact CD1-CG2 4.47Å; L417-I450 HydrophobicContact CD1-CD1 4.22Å; L417-L453 HydrophobicContact CD1-CD2 4.01Å; L417-P454 HydrophobicContact CB-CB 4.17Å; L417-P454 HydrophobicContact CB-CG 3.66Å; L417-T459 HydrophobicContact CD2-CG2 4.13Å
418	E	98.8	Very high	98.1	Very high	63 Å²	63	43.6 Å²	43.6	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-65.2	-34.4	169.6	-82.4	-65.2	153.4	0	0	111.8	I414 K421 R422 P454	I414-E418 WeakPolarHBondContact O-CB 3.41Å; I414-E418 PolarHBondContact O-N 3.01Å; E418-K421 IonicContact OE1-NZ 3.83Å; E418-K421 PolarHBondContact OE1-NZ 2.92Å; E418-K421 WeakPolarHBondContact OE2-CD 3.36Å; E418-K421 IonicContact OE2-NZ 3.8Å; E418-R422 WeakPolarHBondContact O-CB 3.45Å; E418-R422 VanDerWaalsContact O-CG 3.29Å; E418-R422 WeakPolarHBondContact O-CG 3.27Å; E418-R422 PolarHBondContact O-N 2.86Å; E418-R422 PolarHBondContact O-NH1 3.47Å; E418-P454 HydrophobicContact CG-CB 3.92Å; E418-P454 HydrophobicContact CG-CG 3.72Å; E418-P454 VanDerWaalsContact OE1-CB 3.27Å; E418-P454 WeakPolarHBondContact OE1-CB 3.42Å
419	F	98.9	Very high	98.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-44.6	172.1	159.1	-91.1	0	0	0	112.3	L333 V375 L378 E379 L382 L395 A415 F416 L417 R422 N423 L425	L333-F419 HydrophobicContact CD2-CE1 4.01Å; L333-F419 HydrophobicContact CD2-CZ 4.05Å; V375-F419 HydrophobicContact CG1-CB 4.22Å; V375-F419 HydrophobicContact CG1-CD2 4.41Å; L378-F419 HydrophobicContact CB-CD1 3.93Å; L378-F419 HydrophobicContact CB-CD2 4.2Å; L378-F419 HydrophobicContact CB-CE1 3.69Å; L378-F419 HydrophobicContact CB-CE2 3.96Å; L378-F419 HydrophobicContact CB-CG 4.19Å; L378-F419 HydrophobicContact CB-CZ 3.69Å; L378-F419 HydrophobicContact CD1-CD1 3.76Å; L378-F419 HydrophobicContact CD1-CE1 4.15Å; L378-F419 HydrophobicContact CD1-CG 4.25Å; L378-F419 HydrophobicContact CD2-CE1 4.5Å; L378-F419 HydrophobicContact CG-CD1 4.39Å; L378-F419 HydrophobicContact CG-CE1 4.34Å; E379-F419 HydrophobicContact CB-CE2 4.35Å; E379-F419 HydrophobicContact CG-CD2 3.54Å; E379-F419 HydrophobicContact CG-CE2 3.52Å; L382-F419 HydrophobicContact CB-CZ 4.07Å; L382-F419 HydrophobicContact CD2-CE2 4.04Å; L382-F419 HydrophobicContact CD2-CZ 3.71Å; L395-F419 HydrophobicContact CD2-CD1 4.04Å; L395-F419 HydrophobicContact CD2-CE1 4.17Å; A415-F419 WeakPolarHBondContact O-CB 3.16Å; A415-F419 PolarHBondContact O-N 3.1Å; F416-F419 WeakPolarHBondContact O-CB 3.25Å; F416-F419 PolarHBondContact O-N 3.41Å; L417-F419 VanDerWaalsContact C-N 3.33Å; F419-R422 PolarHBondContact O-N 3.19Å; F419-N423 PolarHBondContact O-N 2.88Å; F419-N423 PolarHBondContact O-ND2 2.87Å; F419-L425 HydrophobicContact CE1-CD1 4.13Å; F419-L425 HydrophobicContact CZ-CD1 4.44Å
420	A	98.9	Very high	98.4	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.017	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-50.1	178.3	0	0	0	0	0	110.8	F416 L417 R422 N423 D424 L425 A427	F416-A420 PolarHBondContact O-N 3.04Å; L417-A420 PolarHBondContact O-N 3.11Å; A420-R422 PolarHBondContact O-N 2.82Å; A420-N423 CarbonylContact O-C 3.59Å; A420-N423 PolarHBondContact O-N 3.5Å; A420-D424 PolarHBondContact O-N 2.93Å; A420-D424 VanDerWaalsContact O-N 3.16Å; A420-L425 HydrophobicContact CB-CB 4.12Å; A420-L425 PolarHBondContact O-N 3.06Å; A420-A427 HydrophobicContact CB-CB 4.34Å
421	K	98.7	Very high	98.5	Very high	81 Å²	81	38.4 Å²	38.4	35%	0.352	18%	0.184	S	C	.	.	H	α-helix	trans	-55.5	-46.5	174.1	172.2	-175.3	176	179.9	0	113.8	L417 E418 N423 D424 P454 D455	L417-K421 WeakPolarHBondContact O-CB 3.4Å; L417-K421 PolarHBondContact O-N 2.74Å; E418-K421 IonicContact OE1-NZ 3.83Å; E418-K421 PolarHBondContact OE1-NZ 2.92Å; E418-K421 WeakPolarHBondContact OE2-CD 3.36Å; E418-K421 IonicContact OE2-NZ 3.8Å; K421-N423 PolarHBondContact O-N 3.18Å; K421-D424 PolarHBondContact O-N 2.85Å; K421-P454 HydrophobicContact CB-CB 4.47Å; K421-P454 HydrophobicContact CD-CB 3.73Å; K421-P454 VanDerWaalsContact CD-O 3.28Å; K421-P454 WeakPolarHBondContact CD-O 3.47Å; K421-P454 WeakPolarHBondContact CE-O 3.31Å; K421-P454 PolarHBondContact NZ-O 3.47Å; K421-D455 HydrophobicContact CB-CB 4.19Å; K421-D455 HydrophobicContact CD-CB 4.34Å; K421-D455 HydrophobicContact CG-CB 4.21Å
422	R	98.6	Very high	98.6	Very high	129 Å²	129	30.1 Å²	30.1	49%	0.487	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.3	176.3	-77.4	-165.2	-47	-80.3	10.5	113.9	E379 E418 F419 A420	E379-R422 IonicContact OE1-CZ 3.39Å; E379-R422 IonicContact OE1-NE 3.12Å; E379-R422 IonicContact OE1-NH2 2.69Å; E379-R422 PolarHBondContact OE1-NH2 2.99Å; E418-R422 WeakPolarHBondContact O-CB 3.45Å; E418-R422 VanDerWaalsContact O-CG 3.29Å; E418-R422 WeakPolarHBondContact O-CG 3.27Å; E418-R422 PolarHBondContact O-N 2.86Å; E418-R422 PolarHBondContact O-NH1 3.47Å; F419-R422 PolarHBondContact O-N 3.19Å; A420-R422 PolarHBondContact O-N 2.82Å
423	N	98.6	Very high	98.6	Very high	45 Å²	45	28.7 Å²	28.7	24%	0.241	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	15.5	-176.7	-70.8	-86.2	0	0	0	113.1	L382 K386 F419 A420 K421 L425	L382-N423 HydrophobicContact CD2-CB 3.7Å; L382-N423 WeakPolarHBondContact CD2-OD1 3.44Å; K386-N423 PolarHBondContact NZ-OD1 2.65Å; F419-N423 PolarHBondContact O-N 2.88Å; F419-N423 PolarHBondContact O-ND2 2.87Å; A420-N423 CarbonylContact O-C 3.59Å; A420-N423 PolarHBondContact O-N 3.5Å; K421-N423 PolarHBondContact O-N 3.18Å; N423-L425 HydrophobicContact CB-CD1 4.22Å; N423-L425 HydrophobicContact CB-CG 3.89Å; N423-L425 PolarHBondContact O-N 2.76Å; N423-L425 VanDerWaalsContact O-N 3.16Å
424	D	98.3	Very high	98.6	Very high	110 Å²	110	28.6 Å²	28.6	59%	0.588	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	22.3	-178.3	-79.6	-73.1	0	0	0	115.1	A420 K421 R458	A420-D424 PolarHBondContact O-N 2.93Å; A420-D424 VanDerWaalsContact O-N 3.16Å; K421-D424 PolarHBondContact O-N 2.85Å; D424-R458 PolarHBondContact O-NE 3.39Å; D424-R458 PolarHBondContact O-NH1 3.07Å; D424-R458 PolarHBondContact O-NH2 3.2Å; D424-R458 IonicContact OD1-CZ 3.36Å; D424-R458 IonicContact OD1-NE 2.66Å; D424-R458 IonicContact OD1-NH2 2.68Å; D424-R458 PolarHBondContact OD1-NH2 3.23Å
425	L	98.9	Very high	98.5	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.026	13%	0.126	C	C	.	.			trans	-85.5	143	-177.7	-55.4	-175.4	0	0	0	111.8	L382 I392 F419 A420 N423 R458	L382-L425 HydrophobicContact CD2-CD1 4.25Å; I392-L425 HydrophobicContact CB-CD2 4.4Å; I392-L425 HydrophobicContact CG2-CD1 4.19Å; I392-L425 HydrophobicContact CG2-CD2 3.92Å; I392-L425 WeakPolarHBondContact O-CD2 3.36Å; F419-L425 HydrophobicContact CE1-CD1 4.13Å; F419-L425 HydrophobicContact CZ-CD1 4.44Å; A420-L425 HydrophobicContact CB-CB 4.12Å; A420-L425 PolarHBondContact O-N 3.06Å; N423-L425 HydrophobicContact CB-CD1 4.22Å; N423-L425 HydrophobicContact CB-CG 3.89Å; N423-L425 PolarHBondContact O-N 2.76Å; N423-L425 VanDerWaalsContact O-N 3.16Å; L425-R458 WeakPolarHBondContact O-CD 3.2Å
426	H	98.9	Very high	98.5	Very high	23 Å²	23	23.9 Å²	23.9	11%	0.106	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	142.4	162.3	-67.3	-101.1	0	0	0	110.9	I325 R393 A394 L395 R458 H460	I325-H426 HydrophobicContact CD1-CB 3.76Å; R393-H426 PolarHBondContact O-N 3.16Å; A394-H426 CarbonylContact C-O 3.4Å; A394-H426 WeakPolarHBondContact CA-O 3.41Å; A394-H426 HydrophobicContact CB-CB 3.85Å; A394-H426 WeakPolarHBondContact CB-O 3.4Å; L395-H426 PolarHBondContact N-O 3.45Å; H426-R458 CarbonylContact C-O 3.3Å; H426-R458 WeakPolarHBondContact CA-O 3.48Å; H426-R458 PolarHBondContact NE2-NH1 3.18Å; H426-H460 AromaticContact CE1-NE2 3.91Å; H426-H460 AromaticContact CG-NE2 3.75Å; H426-H460 AromaticContact ND1-CD2 3.94Å; H426-H460 AromaticContact ND1-CE1 3.74Å; H426-H460 AromaticContact ND1-NE2 2.88Å; H426-H460 PolarHBondContact ND1-NE2 2.93Å
427	A	98.9	Very high	98.4	Very high	2 Å²	2	24.2 Å²	24.2	2%	0.017	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	112.8	172.1	0	0	0	0	0	109.5	L417 A420 R458 H460	L417-A427 HydrophobicContact CD2-CB 3.44Å; L417-A427 VanDerWaalsContact CD2-CB 3.44Å; A420-A427 HydrophobicContact CB-CB 4.34Å; A427-R458 PolarHBondContact N-O 3.48Å; A427-H460 PolarHBondContact O-N 3.21Å
428	I	98.9	Very high	98.3	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.6	175.2	-54.5	171	0	0	0	107	F318 I321 I325 A394 L395 I396 L397 M462	F318-I428 HydrophobicContact CD1-CG2 4.33Å; F318-I428 HydrophobicContact CE1-CG2 3.92Å; I321-I428 HydrophobicContact CG2-CD1 3.63Å; I321-I428 HydrophobicContact CG2-CG1 4.12Å; I325-I428 HydrophobicContact CD1-CD1 4.11Å; A394-I428 HydrophobicContact CB-CD1 4.36Å; L395-I428 PolarHBondContact O-N 2.86Å; I396-I428 WeakPolarHBondContact CA-O 3.4Å; I396-I428 HydrophobicContact CG1-CB 4.07Å; I396-I428 HydrophobicContact CG1-CD1 4.2Å; I396-I428 HydrophobicContact CG1-CG2 4.5Å; L397-I428 PolarHBondContact N-O 3.04Å; I428-M462 HydrophobicContact CG2-CG 4.48Å; I428-M462 HydrophobicContact CG2-SD 3.56Å; I428-M462 VanDerWaalsContact CG2-SD 3.56Å
429	V	98.8	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	110.2	-175.5	-168.4	0	0	0	0	110.1	L397 M413 E431 V447 H460 V461 M462	L397-V429 HydrophobicContact CB-CG1 4.25Å; L397-V429 HydrophobicContact CB-CG2 4.34Å; L397-V429 HydrophobicContact CD1-CG2 4.39Å; L397-V429 WeakPolarHBondContact O-CA 3.36Å; M413-V429 HydrophobicContact CE-CG1 3.97Å; V429-E431 HydrophobicContact CG1-CG 3.91Å; V429-V447 HydrophobicContact CB-CG2 4.27Å; V429-V447 HydrophobicContact CG1-CG2 3.86Å; V429-V447 HydrophobicContact CG2-CG2 4.16Å; V429-H460 PolarHBondContact N-O 3.09Å; V429-V461 WeakPolarHBondContact O-CA 3.37Å; V429-M462 PolarHBondContact O-N 2.74Å
430	D	98.7	Very high	97.4	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.053	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	109.4	176	-177.2	16.3	0	0	0	110.9	F318 L397 M398 N399 V432	F318-D430 HydrophobicContact CZ-CB 4.09Å; L397-D430 PolarHBondContact O-N 3.47Å; M398-D430 CarbonylContact C-O 3.59Å; M398-D430 WeakPolarHBondContact CA-O 3.42Å; M398-D430 HydrophobicContact CG-CB 4.2Å; N399-D430 PolarHBondContact N-O 3.41Å; D430-V432 WeakPolarHBondContact OD1-CB 3.25Å; D430-V432 VanDerWaalsContact OD1-CG1 3.24Å; D430-V432 WeakPolarHBondContact OD1-CG1 3.39Å; D430-V432 PolarHBondContact OD1-N 3.39Å; D430-V432 VanDerWaalsContact OD1-N 3.08Å
431	E	98.6	Very high	97.1	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.009	19%	0.187	C	C	.	.			trans	-110.6	24.2	177.8	-53.7	-162.4	147.2	0	0	111.9	N399 V429 Y433 M434 F444 S446 V447 V461 M462	N399-E431 PolarHBondContact ND2-OE1 2.88Å; N399-E431 WeakPolarHBondContact O-CA 3.21Å; N399-E431 WeakPolarHBondContact O-CB 3.45Å; N399-E431 WeakPolarHBondContact O-CG 3.45Å; V429-E431 HydrophobicContact CG1-CG 3.91Å; E431-Y433 PolarHBondContact O-N 2.98Å; E431-M434 HydrophobicContact CB-CB 4.42Å; E431-M434 WeakPolarHBondContact O-CB 3.45Å; E431-M434 WeakPolarHBondContact O-CG 3.32Å; E431-M434 PolarHBondContact O-N 3.48Å; E431-F444 HydrophobicContact CB-CZ 4.39Å; E431-F444 HydrophobicContact CG-CZ 4.42Å; E431-S446 WeakPolarHBondContact OE1-CA 3.11Å; E431-S446 WeakPolarHBondContact OE2-CA 3.28Å; E431-S446 WeakPolarHBondContact OE2-CB 3.38Å; E431-S446 PolarHBondContact OE2-OG 2.81Å; E431-V447 PolarHBondContact OE1-N 3.17Å; E431-V461 HydrophobicContact CG-CG1 4.1Å; E431-M462 PolarHBondContact N-O 2.64Å
432	V	98.1	Very high	96.8	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.03	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-10.7	-178.6	73.4	0	0	0	0	115.7	D430 K467	D430-V432 WeakPolarHBondContact OD1-CB 3.25Å; D430-V432 VanDerWaalsContact OD1-CG1 3.24Å; D430-V432 WeakPolarHBondContact OD1-CG1 3.39Å; D430-V432 PolarHBondContact OD1-N 3.39Å; D430-V432 VanDerWaalsContact OD1-N 3.08Å; V432-K467 HydrophobicContact CG1-CG 4.18Å; V432-K467 HydrophobicContact CG2-CG 3.97Å; V432-K467 WeakPolarHBondContact O-CB 3.25Å
433	Y	98.3	Very high	96.4	Very high	5 Å²	5	34.4 Å²	34.4	2%	0.02	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	6.1	176.4	-68	-78.9	0	0	0	113.9	S248 N402 E431 L435 T436 K467 D468 A553 L554 Y555	S248-Y433 PolarHBondContact OG-OH 3.1Å; N402-Y433 HydrophobicContact CB-CE2 4.07Å; N402-Y433 PolarHBondContact ND2-OH 2.91Å; E431-Y433 PolarHBondContact O-N 2.98Å; Y433-L435 PolarHBondContact O-N 3.07Å; Y433-T436 WeakPolarHBondContact CB-OG1 3.45Å; Y433-T436 PolarHBondContact O-N 2.82Å; Y433-T436 PolarHBondContact O-OG1 3.48Å; Y433-K467 HydrophobicContact CD1-CB 3.6Å; Y433-K467 HydrophobicContact CD1-CG 3.84Å; Y433-K467 HydrophobicContact CE1-CB 3.62Å; Y433-K467 HydrophobicContact CE1-CD 3.71Å; Y433-K467 HydrophobicContact CE1-CG 3.45Å; Y433-K467 VanDerWaalsContact CE1-CG 3.45Å; Y433-K467 HydrophobicContact CE2-CG 4.35Å; Y433-K467 HydrophobicContact CG-CB 4.38Å; Y433-K467 HydrophobicContact CG-CG 4.44Å; Y433-D468 WeakPolarHBondContact CA-OD1 3.29Å; Y433-A553 HydrophobicContact CD1-CB 3.82Å; Y433-A553 HydrophobicContact CE1-CB 4.17Å; Y433-A553 HydrophobicContact CG-CB 4.14Å; Y433-L554 HydrophobicContact CD1-CG 4.34Å; Y433-L554 HydrophobicContact CE1-CD1 4.01Å; Y433-L554 HydrophobicContact CE1-CG 3.98Å; Y433-Y555 HydrophobicContact CE1-CE1 4Å; Y433-Y555 AromaticContact CZ-CE1 3.8Å
434	M	97.1	Very high	96.3	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.02	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-28.8	-167.8	58.3	142	179.9	0	0	115.9	F292 L293 H296 C297 E431 F444 W463 D468	F292-M434 HydrophobicContact CD1-CE 4.32Å; F292-M434 HydrophobicContact CE1-CE 3.6Å; F292-M434 HydrophobicContact CZ-CE 4.37Å; L293-M434 HydrophobicContact CD2-CE 3.66Å; H296-M434 HydrophobicContact CB-CE 4.35Å; C297-M434 VanDerWaalsContact SG-SD 3.69Å; E431-M434 HydrophobicContact CB-CB 4.42Å; E431-M434 WeakPolarHBondContact O-CB 3.45Å; E431-M434 WeakPolarHBondContact O-CG 3.32Å; E431-M434 PolarHBondContact O-N 3.48Å; M434-F444 HydrophobicContact CB-CD1 3.82Å; M434-F444 HydrophobicContact CB-CE1 3.29Å; M434-F444 HydrophobicContact CB-CE2 4.48Å; M434-F444 HydrophobicContact CB-CZ 3.69Å; M434-W463 HydrophobicContact CE-CD2 4.1Å; M434-W463 HydrophobicContact CE-CG 4.07Å; M434-W463 HydrophobicContact CE-CZ2 4.41Å; M434-D468 WeakPolarHBondContact CG-OD2 3.11Å; M434-D468 PolarHBondContact N-OD1 3.01Å
435	L	97.2	Very high	96.2	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.042	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-7.7	179.8	-60.6	173.1	0	0	0	113.6	F292 H296 Y433 V437 D468 L522 R526	F292-L435 HydrophobicContact CE1-CD1 4.17Å; F292-L435 HydrophobicContact CE2-CD1 4.38Å; F292-L435 HydrophobicContact CZ-CD1 3.48Å; F292-L435 VanDerWaalsContact CZ-CD1 3.48Å; H296-L435 HydrophobicContact CB-CD2 4.25Å; Y433-L435 PolarHBondContact O-N 3.07Å; L435-V437 VanDerWaalsContact C-N 3.26Å; L435-V437 PolarHBondContact O-N 3.38Å; L435-D468 WeakPolarHBondContact CA-OD1 3.37Å; L435-D468 HydrophobicContact CB-CB 4.05Å; L435-D468 HydrophobicContact CD1-CB 4.46Å; L435-D468 PolarHBondContact N-OD1 3.08Å; L435-D468 PolarHBondContact N-OD2 2.89Å; L435-L522 HydrophobicContact CB-CD2 3.96Å; L435-L522 HydrophobicContact CD1-CD1 4.12Å; L435-L522 HydrophobicContact CD1-CD2 4.17Å; L435-L522 HydrophobicContact CD2-CD1 4.29Å; L435-R526 PolarHBondContact O-NE 3.18Å
436	T	97.4	Very high	96.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.			trans	-80.5	8.6	173.1	64.6	0	0	0	0	114.7	Y433 F438 D468 L529 A553 L554	Y433-T436 WeakPolarHBondContact CB-OG1 3.45Å; Y433-T436 PolarHBondContact O-N 2.82Å; Y433-T436 PolarHBondContact O-OG1 3.48Å; T436-F438 VanDerWaalsContact O-CD1 3.27Å; T436-F438 WeakPolarHBondContact O-CD1 3.46Å; T436-F438 PolarHBondContact O-N 3.38Å; T436-D468 PolarHBondContact N-OD1 3.17Å; T436-L529 HydrophobicContact CG2-CD1 4.36Å; T436-A553 PolarHBondContact O-N 3.07Å; T436-A553 VanDerWaalsContact OG1-CA 3.24Å; T436-A553 WeakPolarHBondContact OG1-CA 3.33Å; T436-A553 PolarHBondContact OG1-N 3.48Å; T436-L554 HydrophobicContact CG2-CD2 3.98Å
437	V	97.4	Very high	96.1	Very high	9 Å²	9	31 Å²	31	6%	0.055	17%	0.169	C	C	.	.			trans	-70.8	123.3	163.3	-176.3	0	0	0	0	108.7	P400 L407 L435 V442 F444 R526 P551 A552	P400-V437 HydrophobicContact CG-CG2 4.11Å; L407-V437 HydrophobicContact CD1-CG1 4.44Å; L407-V437 HydrophobicContact CD1-CG2 4.13Å; L407-V437 HydrophobicContact CD2-CG2 4.1Å; L435-V437 VanDerWaalsContact C-N 3.26Å; L435-V437 PolarHBondContact O-N 3.38Å; V437-V442 HydrophobicContact CG1-CB 4.34Å; V437-V442 HydrophobicContact CG1-CG1 4.21Å; V437-F444 HydrophobicContact CG2-CB 4.04Å; V437-F444 HydrophobicContact CG2-CD2 4.48Å; V437-R526 WeakPolarHBondContact O-CD 3.23Å; V437-R526 WeakPolarHBondContact O-CG 3.46Å; V437-R526 PolarHBondContact O-NE 3.23Å; V437-P551 WeakPolarHBondContact CA-O 3.44Å; V437-A552 HydrophobicContact CG2-CB 3.97Å
438	F	96.6	Very high	96.1	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.035	17%	0.17	C	C	.	.			trans	-123.4	5.3	-166.8	59.2	-105	0	0	0	115.2	T436 R526 L529 K530 H533 P551 F604	T436-F438 VanDerWaalsContact O-CD1 3.27Å; T436-F438 WeakPolarHBondContact O-CD1 3.46Å; T436-F438 PolarHBondContact O-N 3.38Å; F438-R526 HydrophobicContact CB-CB 4.03Å; F438-R526 HydrophobicContact CB-CG 4.19Å; F438-L529 HydrophobicContact CB-CB 4.07Å; F438-L529 HydrophobicContact CD1-CB 3.73Å; F438-L529 HydrophobicContact CD1-CD1 4.41Å; F438-L529 HydrophobicContact CE1-CB 4.42Å; F438-L529 HydrophobicContact CG-CB 3.97Å; F438-K530 HydrophobicContact CB-CB 4.46Å; F438-K530 HydrophobicContact CD2-CB 3.7Å; F438-K530 HydrophobicContact CD2-CG 4.1Å; F438-K530 HydrophobicContact CE2-CB 4.39Å; F438-K530 HydrophobicContact CG-CB 4.37Å; F438-K530 WeakPolarHBondContact O-CD 3.43Å; F438-H533 HydrophobicContact CE2-CB 3.83Å; F438-H533 AromaticContact CE2-CG 3.78Å; F438-H533 AromaticContact CE2-ND1 3.73Å; F438-H533 HydrophobicContact CZ-CB 3.63Å; F438-H533 AromaticContact CZ-CD2 3.88Å; F438-H533 AromaticContact CZ-CG 3.5Å; F438-H533 VanDerWaalsContact CZ-CG 3.5Å; F438-H533 AromaticContact CZ-ND1 3.81Å; F438-P551 HydrophobicContact CD2-CB 4.1Å; F438-P551 HydrophobicContact CE2-CB 3.82Å; F438-P551 VanDerWaalsContact CZ-C 3.46Å; F438-P551 VanDerWaalsContact CZ-CA 3.41Å; F438-P551 HydrophobicContact CZ-CB 4.23Å; F438-P551 PolarHBondContact N-O 3.44Å; F438-F604 HydrophobicContact CE1-CE2 4.32Å; F438-F604 AromaticContact CE1-CZ 3.68Å; F438-F604 HydrophobicContact CE1-CZ 3.68Å; F438-F604 AromaticContact CZ-CZ 3.98Å; F438-F604 HydrophobicContact CZ-CZ 3.98Å
439	D	92.2	Very high	96	Very high	43 Å²	43	32.9 Å²	32.9	23%	0.23	18%	0.181	C	C	.	.			trans	-107.5	124.6	164.7	-158.6	-66.8	0	0	0	111.1	S441 V442 K530 P551	D439-S441 PolarHBondContact O-N 3.23Å; D439-S441 WeakPolarHBondContact OD1-CB 3.45Å; D439-S441 PolarHBondContact OD1-N 3.37Å; D439-S441 PolarHBondContact OD1-OG 3.07Å; D439-V442 HydrophobicContact CB-CG2 4.48Å; D439-V442 PolarHBondContact O-N 3Å; D439-K530 IonicContact OD1-NZ 2.84Å; D439-K530 WeakPolarHBondContact OD2-CE 3.47Å; D439-K530 IonicContact OD2-NZ 2.87Å; D439-K530 PolarHBondContact OD2-NZ 2.92Å; D439-P551 HydrophobicContact CB-CB 3.45Å; D439-P551 VanDerWaalsContact CB-CB 3.45Å; D439-P551 HydrophobicContact CB-CG 3.79Å
440	E	87.4	Confident	95.9	Very high	193 Å²	193	34.1 Å²	34.1	90%	0.902	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.7	-176.7	-64.6	166.9	-176.7	0	0	113.1	V442	E440-V442 VanDerWaalsContact C-N 3.29Å
441	S	91.3	Very high	95.5	Very high	100 Å²	100	40.9 Å²	40.9	70%	0.699	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-9.9	171.6	65.3	0	0	0	0	113.9	D439	D439-S441 PolarHBondContact O-N 3.23Å; D439-S441 WeakPolarHBondContact OD1-CB 3.45Å; D439-S441 PolarHBondContact OD1-N 3.37Å; D439-S441 PolarHBondContact OD1-OG 3.07Å
442	V	92.2	Very high	95.2	Very high	51 Å²	51	45.7 Å²	45.7	31%	0.309	25%	0.253	S	S	.	.	S	Bend	trans	-114.9	108.6	-175.4	179.6	0	0	0	0	110.6	L407 V437 D439 E440 P551	L407-V442 HydrophobicContact CD1-CG1 3.43Å; L407-V442 VanDerWaalsContact CD1-CG1 3.43Å; V437-V442 HydrophobicContact CG1-CB 4.34Å; V437-V442 HydrophobicContact CG1-CG1 4.21Å; D439-V442 HydrophobicContact CB-CG2 4.48Å; D439-V442 PolarHBondContact O-N 3Å; E440-V442 VanDerWaalsContact C-N 3.29Å; V442-P551 HydrophobicContact CB-CG 4.16Å; V442-P551 HydrophobicContact CG1-CG 4.42Å; V442-P551 HydrophobicContact CG2-CG 3.74Å
443	T	90.6	Very high	95.1	Very high	98 Å²	98	47 Å²	47	60%	0.601	26%	0.26	S	S	*	.			trans	-81.5	123.5	176.9	-54.9	0	0	0	0	111
444	F	96.1	Very high	95.1	Very high	34 Å²	34	47.5 Å²	47.5	15%	0.149	26%	0.263	C	S	.	.			trans	-76.3	139.7	165.4	177.8	-108.6	0	0	0	110.8	N399 P400 L407 E431 M434 V437	N399-F444 WeakPolarHBondContact ND2-CE2 3.21Å; N399-F444 WeakPolarHBondContact O-CE2 3.43Å; N399-F444 WeakPolarHBondContact O-CZ 3.44Å; P400-F444 HydrophobicContact CG-CD2 4.39Å; P400-F444 HydrophobicContact CG-CE2 4.34Å; L407-F444 HydrophobicContact CD2-CD2 4.34Å; E431-F444 HydrophobicContact CB-CZ 4.39Å; E431-F444 HydrophobicContact CG-CZ 4.42Å; M434-F444 HydrophobicContact CB-CD1 3.82Å; M434-F444 HydrophobicContact CB-CE1 3.29Å; M434-F444 HydrophobicContact CB-CE2 4.48Å; M434-F444 HydrophobicContact CB-CZ 3.69Å; V437-F444 HydrophobicContact CG2-CB 4.04Å; V437-F444 HydrophobicContact CG2-CD2 4.48Å
445	H	96.8	Very high	95.1	Very high	73 Å²	73	49.1 Å²	49.1	34%	0.338	27%	0.272	S	S	.	.			trans	-123.9	111	173.6	-67	-80.8	0	0	0	109.7	N399 P410	N399-H445 PolarHBondContact ND2-O 3.13Å; N399-H445 VanDerWaalsContact ND2-O 3.14Å; P410-H445 HydrophobicContact CG-CB 3.81Å
446	S	98.3	Very high	95.2	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.028	29%	0.288	C	S	.	.			trans	-72.7	148.1	172.9	176.6	0	0	0	0	110.8	C297 E431 L448 S449	C297-S446 WeakPolarHBondContact CB-OG 3.43Å; E431-S446 WeakPolarHBondContact OE1-CA 3.11Å; E431-S446 WeakPolarHBondContact OE2-CA 3.28Å; E431-S446 WeakPolarHBondContact OE2-CB 3.38Å; E431-S446 PolarHBondContact OE2-OG 2.81Å; S446-L448 PolarHBondContact O-N 3.06Å; S446-L448 PolarHBondContact OG-N 3.27Å; S446-S449 WeakPolarHBondContact O-CB 3.45Å; S446-S449 PolarHBondContact O-N 3.14Å; S446-S449 PolarHBondContact O-OG 2.96Å
447	V	97.6	Very high	95.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-52.7	-34	164.5	170.1	0	0	0	0	112	M413 L417 V429 E431 S449 I450 L453 T459 V461	M413-V447 HydrophobicContact CE-CG2 3.75Å; M413-V447 HydrophobicContact CG-CG2 3.65Å; M413-V447 HydrophobicContact SD-CG2 3.54Å; M413-V447 VanDerWaalsContact SD-CG2 3.54Å; L417-V447 HydrophobicContact CD1-CG1 4.18Å; L417-V447 HydrophobicContact CD1-CG2 4.47Å; V429-V447 HydrophobicContact CB-CG2 4.27Å; V429-V447 HydrophobicContact CG1-CG2 3.86Å; V429-V447 HydrophobicContact CG2-CG2 4.16Å; E431-V447 PolarHBondContact OE1-N 3.17Å; V447-S449 PolarHBondContact O-N 2.96Å; V447-I450 WeakPolarHBondContact O-CB 3.2Å; V447-I450 WeakPolarHBondContact O-CG1 3.32Å; V447-I450 PolarHBondContact O-N 2.99Å; V447-I450 VanDerWaalsContact O-N 3.17Å; V447-L453 HydrophobicContact CG1-CD2 3.55Å; V447-T459 HydrophobicContact CG1-CG2 3.81Å; V447-V461 HydrophobicContact CB-CG2 3.91Å; V447-V461 HydrophobicContact CG1-CG2 3.71Å
448	L	97.9	Very high	95.3	Very high	9 Å²	9	58.3 Å²	58.3	5%	0.047	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-72.3	-7.7	179.5	-56.5	176.5	0	0	0	113.6	L293 C297 S299 L303 S446 I450 V461 Y480	L293-L448 HydrophobicContact CB-CD1 4.3Å; L293-L448 HydrophobicContact CD1-CD1 4.39Å; C297-L448 HydrophobicContact CB-CB 3.87Å; C297-L448 HydrophobicContact CB-CD1 4.45Å; S299-L448 VanDerWaalsContact CA-O 3.32Å; S299-L448 WeakPolarHBondContact CA-O 3.25Å; S299-L448 VanDerWaalsContact CB-O 3.26Å; S299-L448 WeakPolarHBondContact CB-O 3.41Å; S299-L448 PolarHBondContact OG-O 2.95Å; L303-L448 HydrophobicContact CD1-CD1 3.94Å; S446-L448 PolarHBondContact O-N 3.06Å; S446-L448 PolarHBondContact OG-N 3.27Å; L448-I450 VanDerWaalsContact C-N 3.34Å; L448-V461 HydrophobicContact CD1-CB 4.35Å; L448-V461 HydrophobicContact CD1-CG1 4.15Å; L448-V461 HydrophobicContact CD2-CB 4.09Å; L448-V461 HydrophobicContact CD2-CG2 3.7Å; L448-V461 HydrophobicContact CG-CB 4.2Å; L448-V461 HydrophobicContact CG-CG1 4.14Å; L448-V461 HydrophobicContact CG-CG2 4.02Å; L448-Y480 HydrophobicContact CD2-CD1 3.56Å; L448-Y480 HydrophobicContact CD2-CE1 4.08Å; L448-Y480 HydrophobicContact CD2-CG 4.35Å
449	S	97.6	Very high	95.4	Very high	34 Å²	34	58.4 Å²	58.4	24%	0.238	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-82.4	-10.2	171.6	89.2	0	0	0	0	113.3	C297 S446 V447 E451	C297-S449 WeakPolarHBondContact O-CB 3.5Å; S446-S449 WeakPolarHBondContact O-CB 3.45Å; S446-S449 PolarHBondContact O-N 3.14Å; S446-S449 PolarHBondContact O-OG 2.96Å; V447-S449 PolarHBondContact O-N 2.96Å; S449-E451 PolarHBondContact O-N 3.15Å
450	I	96.2	Very high	95.7	Very high	26 Å²	26	56.3 Å²	56.3	13%	0.133	31%	0.306	C	S	.	.			trans	-80.6	119.2	-174.8	-58.1	170.1	0	0	0	109.5	M413 I414 L417 V447 L448 S452 L453	M413-I450 HydrophobicContact CG-CD1 4.25Å; I414-I450 HydrophobicContact CD1-CG2 4.24Å; I414-I450 HydrophobicContact CG1-CD1 3.91Å; I414-I450 HydrophobicContact CG1-CG2 4.29Å; L417-I450 HydrophobicContact CD1-CD1 4.22Å; V447-I450 WeakPolarHBondContact O-CB 3.2Å; V447-I450 WeakPolarHBondContact O-CG1 3.32Å; V447-I450 PolarHBondContact O-N 2.99Å; V447-I450 VanDerWaalsContact O-N 3.17Å; L448-I450 VanDerWaalsContact C-N 3.34Å; I450-S452 VanDerWaalsContact C-N 3.31Å; I450-S452 PolarHBondContact O-N 3.34Å; I450-L453 HydrophobicContact CB-CD2 3.88Å; I450-L453 HydrophobicContact CD1-CD2 4.01Å; I450-L453 HydrophobicContact CG1-CD2 4.48Å; I450-L453 HydrophobicContact CG2-CD2 4.17Å
451	E	91.1	Very high	96.2	Very high	152 Å²	152	47.5 Å²	47.5	71%	0.71	27%	0.266	S	S	*	.	S	Bend	trans	-62.3	-34	-174.8	-174.8	177.8	-171.1	0	0	114.3	P300 S449	P300-E451 HydrophobicContact CG-CB 4.16Å; P300-E451 HydrophobicContact CG-CG 4.48Å; S449-E451 PolarHBondContact O-N 3.15Å
452	S	92.9	Very high	96.6	Very high	103 Å²	103	42.7 Å²	42.7	72%	0.72	23%	0.232	S	C	*	.	S	Bend	trans	-136.3	95.9	176	-177.8	0	0	0	0	109.5	I450	I450-S452 VanDerWaalsContact C-N 3.31Å; I450-S452 PolarHBondContact O-N 3.34Å
453	L	95.8	Very high	96.9	Very high	34 Å²	34	40.5 Å²	40.5	18%	0.178	22%	0.218	C	C	.	.			trans	-61.5	142.1	171.5	-67.4	171.6	0	0	0	110.4	L417 V447 I450 D455 P456 T459	L417-L453 HydrophobicContact CD1-CD2 4.01Å; V447-L453 HydrophobicContact CG1-CD2 3.55Å; I450-L453 HydrophobicContact CB-CD2 3.88Å; I450-L453 HydrophobicContact CD1-CD2 4.01Å; I450-L453 HydrophobicContact CG1-CD2 4.48Å; I450-L453 HydrophobicContact CG2-CD2 4.17Å; L453-D455 PolarHBondContact O-N 2.65Å; L453-P456 HydrophobicContact CB-CG 4.25Å; L453-T459 HydrophobicContact CD1-CG2 4.11Å; L453-T459 HydrophobicContact CD2-CG2 4.47Å
454	P	97.5	Very high	97.2	Very high	15 Å²	15	35.8 Å²	35.8	10%	0.097	19%	0.19	C	C	.	.	S	Bend	trans	-49.9	-51.9	176.8	-37.8	43.9	0	0	0	114.3	L417 E418 K421	L417-P454 HydrophobicContact CB-CB 4.17Å; L417-P454 HydrophobicContact CB-CG 3.66Å; E418-P454 HydrophobicContact CG-CB 3.92Å; E418-P454 HydrophobicContact CG-CG 3.72Å; E418-P454 VanDerWaalsContact OE1-CB 3.27Å; E418-P454 WeakPolarHBondContact OE1-CB 3.42Å; K421-P454 HydrophobicContact CB-CB 4.47Å; K421-P454 HydrophobicContact CD-CB 3.73Å; K421-P454 VanDerWaalsContact CD-O 3.28Å; K421-P454 WeakPolarHBondContact CD-O 3.47Å; K421-P454 WeakPolarHBondContact CE-O 3.31Å; K421-P454 PolarHBondContact NZ-O 3.47Å
455	D	98.3	Very high	97.3	Very high	37 Å²	37	34.2 Å²	34.2	20%	0.198	18%	0.182	C	C	.	.			trans	-137	100.5	172.5	-177.9	-19.4	0	0	0	108.5	K421 L453 Q457 R458 T459	K421-D455 HydrophobicContact CB-CB 4.19Å; K421-D455 HydrophobicContact CD-CB 4.34Å; K421-D455 HydrophobicContact CG-CB 4.21Å; L453-D455 PolarHBondContact O-N 2.65Å; D455-Q457 VanDerWaalsContact C-N 3.34Å; D455-Q457 PolarHBondContact O-N 3.08Å; D455-Q457 WeakPolarHBondContact OD1-CA 3.07Å; D455-Q457 PolarHBondContact OD1-N 2.98Å; D455-R458 HydrophobicContact CB-CB 4.27Å; D455-R458 PolarHBondContact OD1-N 2.72Å; D455-R458 WeakPolarHBondContact OD2-CB 3.46Å; D455-R458 WeakPolarHBondContact OD2-CD 3.4Å; D455-R458 VanDerWaalsContact OD2-CG 3.28Å; D455-R458 WeakPolarHBondContact OD2-CG 3.48Å; D455-R458 IonicContact OD2-NE 3.58Å; D455-T459 WeakPolarHBondContact O-CB 3.19Å; D455-T459 PolarHBondContact O-N 3.04Å; D455-T459 VanDerWaalsContact O-N 3.15Å; D455-T459 PolarHBondContact O-OG1 3.27Å
456	P	97.5	Very high	97.3	Very high	57 Å²	57	31.2 Å²	31.2	37%	0.37	17%	0.17	S	C	.	.	S	Bend	trans	-62.8	-36	177	-23	33.8	0	0	0	113.6	L453 R458 T459 V482	L453-P456 HydrophobicContact CB-CG 4.25Å; P456-R458 VanDerWaalsContact C-N 3.28Å; P456-R458 PolarHBondContact O-N 3.49Å; P456-T459 PolarHBondContact O-N 3.41Å; P456-V482 VanDerWaalsContact C-CG2 3.43Å; P456-V482 HydrophobicContact CB-CG2 3.58Å; P456-V482 WeakPolarHBondContact O-CG2 3.48Å
457	Q	98.3	Very high	97.3	Very high	89 Å²	89	32.7 Å²	32.7	42%	0.416	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-25	-175.9	-65.6	-62.1	98.6	0	0	112.3	D455 H460 V482 N483	D455-Q457 VanDerWaalsContact C-N 3.34Å; D455-Q457 PolarHBondContact O-N 3.08Å; D455-Q457 WeakPolarHBondContact OD1-CA 3.07Å; D455-Q457 PolarHBondContact OD1-N 2.98Å; Q457-H460 PolarHBondContact O-CE1 3.3Å; Q457-V482 PolarHBondContact OE1-O 2.94Å; Q457-N483 WeakPolarHBondContact O-CB 3.42Å; Q457-N483 PolarHBondContact O-ND2 3.33Å
458	R	98.7	Very high	97.3	Very high	65 Å²	65	32.7 Å²	32.7	25%	0.245	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	1.5	174.8	-68.2	-168.5	-169.4	-89.6	19.4	114.3	D424 L425 H426 A427 D455 P456 H460	D424-R458 PolarHBondContact O-NE 3.39Å; D424-R458 PolarHBondContact O-NH1 3.07Å; D424-R458 PolarHBondContact O-NH2 3.2Å; D424-R458 IonicContact OD1-CZ 3.36Å; D424-R458 IonicContact OD1-NE 2.66Å; D424-R458 IonicContact OD1-NH2 2.68Å; D424-R458 PolarHBondContact OD1-NH2 3.23Å; L425-R458 WeakPolarHBondContact O-CD 3.2Å; H426-R458 CarbonylContact C-O 3.3Å; H426-R458 WeakPolarHBondContact CA-O 3.48Å; H426-R458 PolarHBondContact NE2-NH1 3.18Å; A427-R458 PolarHBondContact N-O 3.48Å; D455-R458 HydrophobicContact CB-CB 4.27Å; D455-R458 PolarHBondContact OD1-N 2.72Å; D455-R458 WeakPolarHBondContact OD2-CB 3.46Å; D455-R458 WeakPolarHBondContact OD2-CD 3.4Å; D455-R458 VanDerWaalsContact OD2-CG 3.28Å; D455-R458 WeakPolarHBondContact OD2-CG 3.48Å; D455-R458 IonicContact OD2-NE 3.58Å; P456-R458 VanDerWaalsContact C-N 3.28Å; P456-R458 PolarHBondContact O-N 3.49Å; R458-H460 PolarHBondContact O-CD2 3.45Å; R458-H460 PolarHBondContact O-NE2 2.6Å
459	T	98.8	Very high	97.2	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.055	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.6	177	-56.3	0	0	0	0	111	L417 V447 L453 D455 P456 T481	L417-T459 HydrophobicContact CD2-CG2 4.13Å; V447-T459 HydrophobicContact CG1-CG2 3.81Å; L453-T459 HydrophobicContact CD1-CG2 4.11Å; L453-T459 HydrophobicContact CD2-CG2 4.47Å; D455-T459 WeakPolarHBondContact O-CB 3.19Å; D455-T459 PolarHBondContact O-N 3.04Å; D455-T459 VanDerWaalsContact O-N 3.15Å; D455-T459 PolarHBondContact O-OG1 3.27Å; P456-T459 PolarHBondContact O-N 3.41Å; T459-T481 PolarHBondContact O-OG1 3.14Å
460	H	98.8	Very high	97.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	122.1	-176.5	-37.2	-75.9	0	0	0	109.5	H426 A427 V429 Q457 R458 L479 T481 L486	H426-H460 AromaticContact CE1-NE2 3.91Å; H426-H460 AromaticContact CG-NE2 3.75Å; H426-H460 AromaticContact ND1-CD2 3.94Å; H426-H460 AromaticContact ND1-CE1 3.74Å; H426-H460 AromaticContact ND1-NE2 2.88Å; H426-H460 PolarHBondContact ND1-NE2 2.93Å; A427-H460 PolarHBondContact O-N 3.21Å; V429-H460 PolarHBondContact N-O 3.09Å; Q457-H460 PolarHBondContact O-CE1 3.3Å; R458-H460 PolarHBondContact O-CD2 3.45Å; R458-H460 PolarHBondContact O-NE2 2.6Å; H460-L479 HydrophobicContact CB-CD1 3.83Å; H460-T481 WeakPolarHBondContact ND1-CB 3.28Å; H460-T481 PolarHBondContact ND1-OG1 2.88Å; H460-L486 WeakPolarHBondContact CE1-CD2 3.14Å; H460-L486 VanDerWaalsContact ND1-CD2 3.32Å; H460-L486 WeakPolarHBondContact ND1-CD2 3.26Å
461	V	98.8	Very high	97.2	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.042	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.1	-174.4	-177.1	0	0	0	0	110.1	V429 E431 V447 L448 L479 Y480	V429-V461 WeakPolarHBondContact O-CA 3.37Å; E431-V461 HydrophobicContact CG-CG1 4.1Å; V447-V461 HydrophobicContact CB-CG2 3.91Å; V447-V461 HydrophobicContact CG1-CG2 3.71Å; L448-V461 HydrophobicContact CD1-CB 4.35Å; L448-V461 HydrophobicContact CD1-CG1 4.15Å; L448-V461 HydrophobicContact CD2-CB 4.09Å; L448-V461 HydrophobicContact CD2-CG2 3.7Å; L448-V461 HydrophobicContact CG-CB 4.2Å; L448-V461 HydrophobicContact CG-CG1 4.14Å; L448-V461 HydrophobicContact CG-CG2 4.02Å; V461-L479 CarbonylContact O-C 3.22Å; V461-L479 WeakPolarHBondContact O-CA 3.04Å; V461-Y480 PolarHBondContact N-O 2.87Å; V461-Y480 PolarHBondContact O-N 3.31Å
462	M	98.6	Very high	97.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	139.4	179.3	-74.3	172.9	48.4	0	0	111	C314 L317 F318 I321 I428 V429 E431 T478 L479	C314-M462 HydrophobicContact CB-CE 3.82Å; C314-M462 VanDerWaalsContact O-CE 3.24Å; C314-M462 WeakPolarHBondContact O-CE 3.33Å; L317-M462 HydrophobicContact CB-CE 3.83Å; L317-M462 HydrophobicContact CB-SD 4.14Å; L317-M462 HydrophobicContact CD1-CG 4.43Å; F318-M462 HydrophobicContact CD1-CE 3.93Å; F318-M462 HydrophobicContact CD1-SD 4.02Å; F318-M462 HydrophobicContact CD2-CE 3.73Å; F318-M462 HydrophobicContact CE1-CE 3.81Å; F318-M462 HydrophobicContact CE1-SD 3.89Å; F318-M462 HydrophobicContact CE2-CE 3.6Å; F318-M462 HydrophobicContact CG-CE 3.88Å; F318-M462 HydrophobicContact CG-SD 4.49Å; F318-M462 HydrophobicContact CZ-CE 3.64Å; F318-M462 HydrophobicContact CZ-SD 4.26Å; I321-M462 HydrophobicContact CD1-CG 4.29Å; I321-M462 HydrophobicContact CD1-SD 3.71Å; I428-M462 HydrophobicContact CG2-CG 4.48Å; I428-M462 HydrophobicContact CG2-SD 3.56Å; I428-M462 VanDerWaalsContact CG2-SD 3.56Å; V429-M462 PolarHBondContact O-N 2.74Å; E431-M462 PolarHBondContact N-O 2.64Å; M462-T478 WeakPolarHBondContact CA-O 3.42Å; M462-L479 HydrophobicContact CG-CD1 3.53Å
463	W	98.6	Very high	97.5	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.015	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	170	175.3	176.5	69.5	0	0	0	110.1	F292 L293 M434 M465 D468 F469 T478 L511	F292-W463 HydrophobicContact CD1-CE3 4.43Å; F292-W463 AromaticContact CD1-CH2 3.7Å; F292-W463 HydrophobicContact CD1-CH2 3.7Å; F292-W463 HydrophobicContact CD1-CZ2 4.11Å; F292-W463 AromaticContact CD1-CZ3 3.88Å; F292-W463 HydrophobicContact CD1-CZ3 3.88Å; F292-W463 HydrophobicContact CE1-CD2 4.44Å; F292-W463 AromaticContact CE1-CE2 3.87Å; F292-W463 HydrophobicContact CE1-CE3 4.45Å; F292-W463 AromaticContact CE1-CH2 3.34Å; F292-W463 HydrophobicContact CE1-CH2 3.34Å; F292-W463 AromaticContact CE1-CZ2 3.32Å; F292-W463 HydrophobicContact CE1-CZ2 3.32Å; F292-W463 AromaticContact CE1-CZ3 3.94Å; F292-W463 HydrophobicContact CE1-CZ3 3.94Å; F292-W463 HydrophobicContact CZ-CH2 4.13Å; F292-W463 AromaticContact CZ-CZ2 3.99Å; F292-W463 HydrophobicContact CZ-CZ2 3.99Å; L293-W463 HydrophobicContact CD2-CB 4.29Å; L293-W463 HydrophobicContact CD2-CD2 3.97Å; L293-W463 HydrophobicContact CD2-CE3 3.97Å; L293-W463 HydrophobicContact CD2-CG 4.06Å; M434-W463 HydrophobicContact CE-CD2 4.1Å; M434-W463 HydrophobicContact CE-CG 4.07Å; M434-W463 HydrophobicContact CE-CZ2 4.41Å; W463-M465 HydrophobicContact CH2-SD 3.38Å; W463-M465 WeakPolarHBondContact CH2-SD 3.36Å; W463-M465 HydrophobicContact CZ2-SD 4.08Å; W463-M465 HydrophobicContact CZ3-SD 4.07Å; W463-D468 PolarHBondContact NE1-OD2 3.45Å; W463-F469 HydrophobicContact CH2-CD2 4.22Å; W463-F469 AromaticContact CH2-CE2 3.97Å; W463-F469 HydrophobicContact CH2-CE2 3.97Å; W463-F469 AromaticContact CZ2-CD2 3.88Å; W463-F469 HydrophobicContact CZ2-CD2 3.88Å; W463-F469 AromaticContact CZ2-CE2 3.78Å; W463-F469 HydrophobicContact CZ2-CE2 3.78Å; W463-T478 HydrophobicContact CE3-CG2 4.43Å; W463-T478 PolarHBondContact N-O 2.79Å; W463-T478 PolarHBondContact O-N 3.03Å; W463-T478 PolarHBondContact O-OG1 3.06Å; W463-L511 HydrophobicContact CH2-CD1 4.34Å; W463-L511 HydrophobicContact CH2-CD2 4.09Å; W463-L511 HydrophobicContact CZ3-CD1 4.29Å
464	G	97.6	Very high	97.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.7	163.9	172.6	0	0	0	0	0	115.4	S466	G464-S466 PolarHBondContact O-N 3.11Å
465	M	97.7	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-5.2	-172.9	-53.5	-56.4	-69.9	0	0	114.7	W463 K467 F469 M471 I474 I476 V507 L510 L511	W463-M465 HydrophobicContact CH2-SD 3.38Å; W463-M465 WeakPolarHBondContact CH2-SD 3.36Å; W463-M465 HydrophobicContact CZ2-SD 4.08Å; W463-M465 HydrophobicContact CZ3-SD 4.07Å; M465-K467 PolarHBondContact O-N 2.76Å; M465-F469 HydrophobicContact CE-CB 3.83Å; M465-F469 HydrophobicContact CE-CD1 4.27Å; M465-F469 HydrophobicContact CE-CD2 3.31Å; M465-F469 HydrophobicContact CE-CE2 3.85Å; M465-F469 HydrophobicContact CE-CG 3.54Å; M465-F469 HydrophobicContact SD-CD2 3.78Å; M465-F469 HydrophobicContact SD-CE2 4.26Å; M465-M471 HydrophobicContact CB-CB 4.36Å; M465-M471 HydrophobicContact CB-CE 4.25Å; M465-M471 HydrophobicContact CE-CE 3.43Å; M465-M471 VanDerWaalsContact CE-CE 3.43Å; M465-M471 PolarHBondContact O-N 3.02Å; M465-M471 VanDerWaalsContact O-N 3.12Å; M465-I474 HydrophobicContact CB-CG2 3.66Å; M465-I474 HydrophobicContact CG-CG2 4.07Å; M465-I476 HydrophobicContact CG-CB 3.92Å; M465-I476 HydrophobicContact CG-CG2 4.23Å; M465-I476 PolarHBondContact N-O 3.35Å; M465-I476 VanDerWaalsContact N-O 3.09Å; M465-V507 HydrophobicContact CE-CG1 3.86Å; M465-V507 HydrophobicContact CE-CG2 4.42Å; M465-V507 HydrophobicContact CG-CG1 3.92Å; M465-V507 HydrophobicContact CG-CG2 4.19Å; M465-V507 HydrophobicContact SD-CG1 3.66Å; M465-L510 HydrophobicContact CE-CD2 3.8Å; M465-L511 HydrophobicContact CE-CD2 4.14Å; M465-L511 HydrophobicContact CE-CG 4.45Å; M465-L511 HydrophobicContact SD-CD1 4.33Å; M465-L511 HydrophobicContact SD-CD2 4.25Å; M465-L511 HydrophobicContact SD-CG 4.48Å
466	S	97.6	Very high	97.4	Very high	10 Å²	10	25.8 Å²	25.8	7%	0.07	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-27.4	-163.5	-70.3	0	0	0	0	115.2	G464	G464-S466 PolarHBondContact O-N 3.11Å
467	K	97.4	Very high	97.5	Very high	36 Å²	36	23 Å²	23	16%	0.157	13%	0.126	C	C	.	.	S	Bend	trans	-120.3	-60.2	-173.4	-44.8	-63.5	176.1	-161.8	0	111.2	S248 V432 Y433 M465 F469 A470 L554	S248-K467 PolarHBondContact O-NZ 2.84Å; V432-K467 HydrophobicContact CG1-CG 4.18Å; V432-K467 HydrophobicContact CG2-CG 3.97Å; V432-K467 WeakPolarHBondContact O-CB 3.25Å; Y433-K467 HydrophobicContact CD1-CB 3.6Å; Y433-K467 HydrophobicContact CD1-CG 3.84Å; Y433-K467 HydrophobicContact CE1-CB 3.62Å; Y433-K467 HydrophobicContact CE1-CD 3.71Å; Y433-K467 HydrophobicContact CE1-CG 3.45Å; Y433-K467 VanDerWaalsContact CE1-CG 3.45Å; Y433-K467 HydrophobicContact CE2-CG 4.35Å; Y433-K467 HydrophobicContact CG-CB 4.38Å; Y433-K467 HydrophobicContact CG-CG 4.44Å; M465-K467 PolarHBondContact O-N 2.76Å; K467-F469 VanDerWaalsContact C-N 3.29Å; K467-F469 PolarHBondContact O-N 3.04Å; K467-A470 PolarHBondContact O-N 3.17Å; K467-A470 VanDerWaalsContact O-N 3.14Å; K467-L554 HydrophobicContact CB-CD1 4.23Å; K467-L554 HydrophobicContact CD-CD1 4.12Å
468	D	96.9	Very high	97.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-47.4	176.1	-73.7	-16.9	0	0	0	112.8	Y433 M434 L435 T436 W463 F521 N525	Y433-D468 WeakPolarHBondContact CA-OD1 3.29Å; M434-D468 WeakPolarHBondContact CG-OD2 3.11Å; M434-D468 PolarHBondContact N-OD1 3.01Å; L435-D468 WeakPolarHBondContact CA-OD1 3.37Å; L435-D468 HydrophobicContact CB-CB 4.05Å; L435-D468 HydrophobicContact CD1-CB 4.46Å; L435-D468 PolarHBondContact N-OD1 3.08Å; L435-D468 PolarHBondContact N-OD2 2.89Å; T436-D468 PolarHBondContact N-OD1 3.17Å; W463-D468 PolarHBondContact NE1-OD2 3.45Å; D468-F521 WeakPolarHBondContact O-CE1 3.43Å; D468-N525 PolarHBondContact O-ND2 3.3Å; D468-N525 VanDerWaalsContact O-ND2 3.13Å
469	F	97.3	Very high	97.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	8.2	-178	-77.1	-72.8	0	0	0	114.7	L257 F292 W463 M465 K467 M471 L510 L511 I517 F521	L257-F469 VanDerWaalsContact CD1-O 3.29Å; L257-F469 WeakPolarHBondContact CD1-O 3.3Å; F292-F469 HydrophobicContact CE1-CE2 4.15Å; F292-F469 HydrophobicContact CE2-CE2 4.01Å; F292-F469 AromaticContact CE2-CZ 3.82Å; F292-F469 HydrophobicContact CE2-CZ 3.82Å; F292-F469 AromaticContact CZ-CE2 3.46Å; F292-F469 HydrophobicContact CZ-CE2 3.46Å; F292-F469 VanDerWaalsContact CZ-CE2 3.46Å; F292-F469 AromaticContact CZ-CZ 3.71Å; F292-F469 HydrophobicContact CZ-CZ 3.71Å; W463-F469 HydrophobicContact CH2-CD2 4.22Å; W463-F469 AromaticContact CH2-CE2 3.97Å; W463-F469 HydrophobicContact CH2-CE2 3.97Å; W463-F469 AromaticContact CZ2-CD2 3.88Å; W463-F469 HydrophobicContact CZ2-CD2 3.88Å; W463-F469 AromaticContact CZ2-CE2 3.78Å; W463-F469 HydrophobicContact CZ2-CE2 3.78Å; M465-F469 HydrophobicContact CE-CB 3.83Å; M465-F469 HydrophobicContact CE-CD1 4.27Å; M465-F469 HydrophobicContact CE-CD2 3.31Å; M465-F469 HydrophobicContact CE-CE2 3.85Å; M465-F469 HydrophobicContact CE-CG 3.54Å; M465-F469 HydrophobicContact SD-CD2 3.78Å; M465-F469 HydrophobicContact SD-CE2 4.26Å; K467-F469 VanDerWaalsContact C-N 3.29Å; K467-F469 PolarHBondContact O-N 3.04Å; F469-M471 HydrophobicContact CB-CE 4.23Å; F469-M471 WeakPolarHBondContact O-CG 3.49Å; F469-M471 PolarHBondContact O-N 3.42Å; F469-M471 VanDerWaalsContact O-N 3.07Å; F469-L510 HydrophobicContact CD1-CD2 4.17Å; F469-L510 HydrophobicContact CE1-CD2 4.49Å; F469-L511 HydrophobicContact CE2-CD2 3.76Å; F469-L511 HydrophobicContact CZ-CD2 3.94Å; F469-I517 HydrophobicContact CE1-CD1 4.17Å; F469-I517 HydrophobicContact CE1-CG1 4.03Å; F469-I517 HydrophobicContact CZ-CD1 3.9Å; F469-I517 HydrophobicContact CZ-CG1 4.2Å; F469-I517 HydrophobicContact CZ-CG2 4.41Å; F469-F521 AromaticContact CD1-CD1 3.92Å; F469-F521 HydrophobicContact CD1-CD1 3.92Å; F469-F521 AromaticContact CD1-CE1 3.48Å; F469-F521 HydrophobicContact CD1-CE1 3.48Å; F469-F521 VanDerWaalsContact CD1-CE1 3.48Å; F469-F521 HydrophobicContact CD1-CZ 4.06Å; F469-F521 AromaticContact CE1-CD1 3.92Å; F469-F521 HydrophobicContact CE1-CD1 3.92Å; F469-F521 AromaticContact CE1-CE1 3.92Å; F469-F521 HydrophobicContact CE1-CE1 3.92Å; F469-F521 HydrophobicContact CG-CE1 4.31Å
470	A	97.1	Very high	97.5	Very high	5 Å²	5	16.5 Å²	16.5	4%	0.041	10%	0.097	C	C	.	.	S	Bend	trans	55.6	23.1	-179.6	0	0	0	0	0	115.1	N250 Y254 L257 K467	N250-A470 HydrophobicContact CB-CB 3.78Å; N250-A470 WeakPolarHBondContact O-CB 3.25Å; Y254-A470 HydrophobicContact CE1-CB 4.38Å; L257-A470 HydrophobicContact CD1-CB 3.76Å; K467-A470 PolarHBondContact O-N 3.17Å; K467-A470 VanDerWaalsContact O-N 3.14Å
471	M	96.4	Very high	97.5	Very high	17 Å²	17	16.6 Å²	16.6	8%	0.084	10%	0.097	C	C	.	.			trans	-113.1	53.2	-176.2	-68.8	-163.4	-63.2	0	0	113	L257 L261 M465 F469 G473 I474 V507 L510	L257-M471 HydrophobicContact CD1-CG 4.33Å; L257-M471 HydrophobicContact CD2-CG 4.29Å; L257-M471 HydrophobicContact CD2-SD 4.34Å; L261-M471 HydrophobicContact CD1-SD 3.94Å; L261-M471 HydrophobicContact CD2-SD 4.17Å; M465-M471 HydrophobicContact CB-CB 4.36Å; M465-M471 HydrophobicContact CB-CE 4.25Å; M465-M471 HydrophobicContact CE-CE 3.43Å; M465-M471 VanDerWaalsContact CE-CE 3.43Å; M465-M471 PolarHBondContact O-N 3.02Å; M465-M471 VanDerWaalsContact O-N 3.12Å; F469-M471 HydrophobicContact CB-CE 4.23Å; F469-M471 WeakPolarHBondContact O-CG 3.49Å; F469-M471 PolarHBondContact O-N 3.42Å; F469-M471 VanDerWaalsContact O-N 3.07Å; M471-G473 PolarHBondContact O-N 3.26Å; M471-G473 VanDerWaalsContact O-N 3.07Å; M471-I474 HydrophobicContact CB-CB 4.08Å; M471-I474 HydrophobicContact CB-CG2 3.76Å; M471-I474 HydrophobicContact CE-CG2 4.33Å; M471-I474 VanDerWaalsContact O-CG2 3.28Å; M471-I474 WeakPolarHBondContact O-CG2 3.42Å; M471-I474 PolarHBondContact O-N 3.16Å; M471-V507 HydrophobicContact CE-CG2 4.4Å; M471-L510 HydrophobicContact CE-CD2 3.37Å; M471-L510 HydrophobicContact SD-CD2 4.41Å
472	A	94.7	Very high	97.4	Very high	24 Å²	24	18.5 Å²	18.5	20%	0.198	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-55.3	-28.5	178.2	0	0	0	0	0	114.1	R475	A472-R475 PolarHBondContact O-NH1 2.92Å
473	G	95.1	Very high	97.4	Very high	70 Å²	70	19.5 Å²	19.5	72%	0.722	11%	0.114	S	C	*	.	G	3₁₀ helix	trans	-78.8	-17	177	0	0	0	0	0	116.1	M471 R475	M471-G473 PolarHBondContact O-N 3.26Å; M471-G473 VanDerWaalsContact O-N 3.07Å; G473-R475 PolarHBondContact O-N 3.4Å
474	I	95.6	Very high	97.4	Very high	33 Å²	33	23 Å²	23	17%	0.169	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-75.3	-8.9	178.3	-153.7	62.8	0	0	0	112.6	M465 M471 I476 V507	M465-I474 HydrophobicContact CB-CG2 3.66Å; M465-I474 HydrophobicContact CG-CG2 4.07Å; M471-I474 HydrophobicContact CB-CB 4.08Å; M471-I474 HydrophobicContact CB-CG2 3.76Å; M471-I474 HydrophobicContact CE-CG2 4.33Å; M471-I474 VanDerWaalsContact O-CG2 3.28Å; M471-I474 WeakPolarHBondContact O-CG2 3.42Å; M471-I474 PolarHBondContact O-N 3.16Å; I474-I476 HydrophobicContact CG1-CG1 4.48Å; I474-I476 HydrophobicContact CG2-CB 4.29Å; I474-I476 HydrophobicContact CG2-CG1 4.24Å; I474-I476 WeakPolarHBondContact O-CG1 3.22Å; I474-I476 PolarHBondContact O-N 3.36Å; I474-V507 HydrophobicContact CG1-CG2 3.86Å; I474-V507 HydrophobicContact CG2-CG2 4.36Å
475	R	96.5	Very high	97.5	Very high	114 Å²	114	28.4 Å²	28.4	43%	0.43	17%	0.165	S	C	.	.			trans	59.1	3	176.9	-58.1	-47.9	-50	152.5	-3.4	116.9	N312 G313 A472 G473 G477 L499	N312-R475 CarbonylContact C-O 3.57Å; N312-R475 VanDerWaalsContact CA-O 3.23Å; N312-R475 WeakPolarHBondContact CA-O 3.29Å; N312-R475 HydrophobicContact CB-CB 4.48Å; N312-R475 PolarHBondContact O-NE 3.41Å; N312-R475 VanDerWaalsContact O-NE 3.09Å; N312-R475 PolarHBondContact O-NH2 2.86Å; G313-R475 VanDerWaalsContact CA-O 3.28Å; G313-R475 WeakPolarHBondContact CA-O 3.44Å; G313-R475 PolarHBondContact N-O 2.96Å; A472-R475 PolarHBondContact O-NH1 2.92Å; G473-R475 PolarHBondContact O-N 3.4Å; R475-G477 PolarHBondContact O-N 2.96Å; R475-L499 HydrophobicContact CB-CD2 3.95Å
476	I	97.9	Very high	97.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	17%	0.167	C	C	.	.			trans	-76.2	115	-179.6	-55.2	-147.2	0	0	0	111.7	L285 V310 M465 I474 T478 L499 Q504 V507	L285-I476 HydrophobicContact CD2-CD1 3.88Å; V310-I476 HydrophobicContact CG1-CG2 3.71Å; M465-I476 HydrophobicContact CG-CB 3.92Å; M465-I476 HydrophobicContact CG-CG2 4.23Å; M465-I476 PolarHBondContact N-O 3.35Å; M465-I476 VanDerWaalsContact N-O 3.09Å; I474-I476 HydrophobicContact CG1-CG1 4.48Å; I474-I476 HydrophobicContact CG2-CB 4.29Å; I474-I476 HydrophobicContact CG2-CG1 4.24Å; I474-I476 WeakPolarHBondContact O-CG1 3.22Å; I474-I476 PolarHBondContact O-N 3.36Å; I476-T478 HydrophobicContact CG2-CG2 4.32Å; I476-L499 HydrophobicContact CB-CD1 4.31Å; I476-L499 HydrophobicContact CD1-CD1 4.02Å; I476-L499 HydrophobicContact CG1-CD1 3.78Å; I476-L499 HydrophobicContact CG1-CD2 4.15Å; I476-L499 HydrophobicContact CG2-CD1 4.41Å; I476-Q504 HydrophobicContact CD1-CG 4.34Å; I476-V507 HydrophobicContact CD1-CB 3.85Å; I476-V507 HydrophobicContact CD1-CG1 4.25Å; I476-V507 HydrophobicContact CD1-CG2 3.7Å; I476-V507 HydrophobicContact CG1-CG2 4.13Å
477	G	98.3	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	152.7	161.5	0	0	0	0	0	110.7	V310 M311 R475	V310-G477 WeakPolarHBondContact CA-O 3.38Å; M311-G477 PolarHBondContact N-O 3.23Å; M311-G477 PolarHBondContact O-N 3.32Å; R475-G477 PolarHBondContact O-N 2.96Å
478	T	98.6	Very high	97.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.9	-175.6	61.4	0	0	0	0	111.1	V289 V309 V310 M462 W463 I476	V289-T478 HydrophobicContact CG1-CG2 3.9Å; V289-T478 HydrophobicContact CG2-CG2 3.95Å; V309-T478 CarbonylContact O-C 3.58Å; V309-T478 VanDerWaalsContact O-CA 3.29Å; V309-T478 WeakPolarHBondContact O-CA 3.29Å; V310-T478 HydrophobicContact CG1-CG2 4.28Å; V310-T478 HydrophobicContact CG2-CG2 4.35Å; M462-T478 WeakPolarHBondContact CA-O 3.42Å; W463-T478 HydrophobicContact CE3-CG2 4.43Å; W463-T478 PolarHBondContact N-O 2.79Å; W463-T478 PolarHBondContact O-N 3.03Å; W463-T478 PolarHBondContact O-OG1 3.06Å; I476-T478 HydrophobicContact CG2-CG2 4.32Å
479	L	98.8	Very high	97.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.3	166.4	-175.1	69.1	0	0	0	109.1	V308 V309 L317 I321 H460 V461 M462 T481 L486 L490	V308-L479 CarbonylContact C-O 3.51Å; V308-L479 WeakPolarHBondContact CA-O 3.3Å; V309-L479 HydrophobicContact CB-CB 4.37Å; V309-L479 PolarHBondContact N-O 2.87Å; V309-L479 PolarHBondContact O-N 3.33Å; L317-L479 HydrophobicContact CD1-CB 4.28Å; L317-L479 HydrophobicContact CD2-CB 4.07Å; I321-L479 HydrophobicContact CD1-CD1 3.66Å; I321-L479 HydrophobicContact CD1-CD2 3.83Å; I321-L479 HydrophobicContact CD1-CG 4.32Å; I321-L479 HydrophobicContact CG1-CD2 4.02Å; H460-L479 HydrophobicContact CB-CD1 3.83Å; V461-L479 CarbonylContact O-C 3.22Å; V461-L479 WeakPolarHBondContact O-CA 3.04Å; M462-L479 HydrophobicContact CG-CD1 3.53Å; L479-T481 HydrophobicContact CD2-CG2 4.23Å; L479-L486 HydrophobicContact CD2-CD2 4.46Å; L479-L490 HydrophobicContact CD2-CD1 3.46Å; L479-L490 VanDerWaalsContact CD2-CD1 3.46Å
480	Y	98.8	Very high	97.7	Very high	24 Å²	24	35.3 Å²	35.3	9%	0.094	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.8	162.1	-175.6	-92	0	0	0	110.4	L303 N307 V308 L448 V461 V482	L303-Y480 HydrophobicContact CB-CD2 4.38Å; L303-Y480 HydrophobicContact CB-CE2 3.7Å; L303-Y480 HydrophobicContact CD1-CD2 4.49Å; L303-Y480 HydrophobicContact CD1-CE2 4.45Å; L303-Y480 HydrophobicContact CD2-CE1 3.93Å; L303-Y480 HydrophobicContact CD2-CE2 4.08Å; L303-Y480 HydrophobicContact CG-CE2 4.29Å; N307-Y480 HydrophobicContact CB-CD2 3.94Å; N307-Y480 HydrophobicContact CB-CE2 3.33Å; N307-Y480 PolarHBondContact ND2-OH 2.91Å; N307-Y480 VanDerWaalsContact ND2-OH 3.09Å; N307-Y480 WeakPolarHBondContact O-CA 3.39Å; V308-Y480 HydrophobicContact CG2-CD2 4.02Å; L448-Y480 HydrophobicContact CD2-CD1 3.56Å; L448-Y480 HydrophobicContact CD2-CE1 4.08Å; L448-Y480 HydrophobicContact CD2-CG 4.35Å; V461-Y480 PolarHBondContact N-O 2.87Å; V461-Y480 PolarHBondContact O-N 3.31Å; Y480-V482 HydrophobicContact CE1-CG1 4.46Å
481	T	98.8	Very high	97.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	21%	0.208	C	C	.	.			trans	-155.3	148.1	170.6	-169.9	0	0	0	0	112.1	N307 T459 H460 L479 N483 L486 V487	N307-T481 WeakPolarHBondContact CA-O 3.4Å; N307-T481 WeakPolarHBondContact CB-O 3.46Å; N307-T481 PolarHBondContact O-N 3.45Å; T459-T481 PolarHBondContact O-OG1 3.14Å; H460-T481 WeakPolarHBondContact ND1-CB 3.28Å; H460-T481 PolarHBondContact ND1-OG1 2.88Å; L479-T481 HydrophobicContact CD2-CG2 4.23Å; T481-N483 VanDerWaalsContact C-N 3.31Å; T481-N483 HydrophobicContact CG2-CB 4.39Å; T481-N483 PolarHBondContact OG1-N 3.39Å; T481-L486 HydrophobicContact CG2-CD2 4.2Å; T481-V487 HydrophobicContact CG2-CG2 3.94Å
482	V	98.2	Very high	97.7	Very high	48 Å²	48	41.4 Å²	41.4	29%	0.291	23%	0.234	S	C	.	.	S	Bend	trans	-84.1	-6.4	173.6	-65.3	0	0	0	0	113	P456 Q457 Y480 T484	P456-V482 VanDerWaalsContact C-CG2 3.43Å; P456-V482 HydrophobicContact CB-CG2 3.58Å; P456-V482 WeakPolarHBondContact O-CG2 3.48Å; Q457-V482 PolarHBondContact OE1-O 2.94Å; Y480-V482 HydrophobicContact CE1-CG1 4.46Å; V482-T484 PolarHBondContact O-N 3.12Å
483	N	98.6	Very high	97.7	Very high	20 Å²	20	41.7 Å²	41.7	11%	0.107	23%	0.232	C	C	.	.			trans	-77.2	100	-179.3	-172.4	-40.4	0	0	0	110.8	Q457 T481 D485 L486 V487	Q457-N483 WeakPolarHBondContact O-CB 3.42Å; Q457-N483 PolarHBondContact O-ND2 3.33Å; T481-N483 VanDerWaalsContact C-N 3.31Å; T481-N483 HydrophobicContact CG2-CB 4.39Å; T481-N483 PolarHBondContact OG1-N 3.39Å; N483-D485 VanDerWaalsContact C-N 3.32Å; N483-D485 PolarHBondContact O-N 2.78Å; N483-D485 PolarHBondContact OD1-N 3.44Å; N483-L486 HydrophobicContact CB-CB 4.07Å; N483-L486 PolarHBondContact O-N 3.02Å; N483-L486 PolarHBondContact OD1-N 3.38Å; N483-V487 WeakPolarHBondContact O-CG2 3.24Å; N483-V487 PolarHBondContact O-N 2.85Å; N483-V487 VanDerWaalsContact O-N 3.12Å
484	T	98.3	Very high	97.6	Very high	77 Å²	77	38.4 Å²	38.4	47%	0.472	20%	0.198	S	C	.	.	H	α-helix	trans	-55.3	-44.2	178.4	39.3	0	0	0	0	112.9	V482 L486 V487 E488	V482-T484 PolarHBondContact O-N 3.12Å; T484-L486 VanDerWaalsContact C-N 3.3Å; T484-L486 PolarHBondContact O-N 2.98Å; T484-V487 WeakPolarHBondContact O-CA 3.41Å; T484-V487 WeakPolarHBondContact O-CB 3.44Å; T484-V487 PolarHBondContact O-N 2.9Å; T484-E488 PolarHBondContact O-N 3.12Å
485	D	98.6	Very high	97.4	Very high	114 Å²	114	39.3 Å²	39.3	61%	0.61	21%	0.207	S	C	*	.	H	α-helix	trans	-67	-37.7	-172.4	-44.1	3.4	0	0	0	110	N483 A489	N483-D485 VanDerWaalsContact C-N 3.32Å; N483-D485 PolarHBondContact O-N 2.78Å; N483-D485 PolarHBondContact OD1-N 3.44Å; D485-A489 WeakPolarHBondContact O-CB 3.32Å; D485-A489 PolarHBondContact O-N 2.87Å
486	L	98.7	Very high	97.3	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-67.7	-39.3	170.8	179.4	59.5	0	0	0	112.1	V324 I325 H460 L479 T481 N483 T484 L490	V324-L486 HydrophobicContact CB-CD1 3.97Å; V324-L486 HydrophobicContact CG1-CD1 3.57Å; I325-L486 HydrophobicContact CG2-CD1 4.01Å; H460-L486 WeakPolarHBondContact CE1-CD2 3.14Å; H460-L486 VanDerWaalsContact ND1-CD2 3.32Å; H460-L486 WeakPolarHBondContact ND1-CD2 3.26Å; L479-L486 HydrophobicContact CD2-CD2 4.46Å; T481-L486 HydrophobicContact CG2-CD2 4.2Å; N483-L486 HydrophobicContact CB-CB 4.07Å; N483-L486 PolarHBondContact O-N 3.02Å; N483-L486 PolarHBondContact OD1-N 3.38Å; T484-L486 VanDerWaalsContact C-N 3.3Å; T484-L486 PolarHBondContact O-N 2.98Å; L486-L490 HydrophobicContact CD1-CD1 3.85Å; L486-L490 HydrophobicContact CD1-CD2 4.45Å; L486-L490 HydrophobicContact CD1-CG 3.86Å; L486-L490 HydrophobicContact CG-CD1 3.83Å; L486-L490 HydrophobicContact CG-CG 4.28Å; L486-L490 VanDerWaalsContact O-CB 3.25Å; L486-L490 WeakPolarHBondContact O-CB 3.3Å; L486-L490 WeakPolarHBondContact O-CG 3.09Å; L486-L490 PolarHBondContact O-N 3.43Å
487	V	98.6	Very high	97.1	Very high	18 Å²	18	42 Å²	42	11%	0.109	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-45.5	175.3	172.6	0	0	0	0	111.1	T280 V309 T481 N483 T484 L490 A491	T280-V487 HydrophobicContact CG2-CG1 4.07Å; V309-V487 HydrophobicContact CG2-CB 4.29Å; V309-V487 HydrophobicContact CG2-CG1 3.94Å; V309-V487 HydrophobicContact CG2-CG2 4Å; T481-V487 HydrophobicContact CG2-CG2 3.94Å; N483-V487 WeakPolarHBondContact O-CG2 3.24Å; N483-V487 PolarHBondContact O-N 2.85Å; N483-V487 VanDerWaalsContact O-N 3.12Å; T484-V487 WeakPolarHBondContact O-CA 3.41Å; T484-V487 WeakPolarHBondContact O-CB 3.44Å; T484-V487 PolarHBondContact O-N 2.9Å; V487-L490 PolarHBondContact O-N 3.14Å; V487-A491 WeakPolarHBondContact O-CB 3.4Å; V487-A491 PolarHBondContact O-N 3.29Å
488	E	97.9	Very high	96.8	Very high	135 Å²	135	43.7 Å²	43.7	63%	0.631	24%	0.24	S	C	*	.	H	α-helix	trans	-64.7	-40.1	178.7	-71.7	-177	-167.7	0	0	112.7	T484 A491 Q492	T484-E488 PolarHBondContact O-N 3.12Å; E488-A491 WeakPolarHBondContact O-CB 3.37Å; E488-A491 PolarHBondContact O-N 3.27Å; E488-Q492 PolarHBondContact O-NE2 2.73Å
489	A	98.3	Very high	96.6	Very high	32 Å²	32	44.7 Å²	44.7	26%	0.264	25%	0.245	S	C	.	.	H	α-helix	trans	-68.9	-43.5	175.2	0	0	0	0	0	112.4	V324 D485 A491 Q492	V324-A489 HydrophobicContact CB-CB 4.48Å; V324-A489 HydrophobicContact CG1-CB 3.61Å; V324-A489 HydrophobicContact CG2-CB 3.94Å; D485-A489 WeakPolarHBondContact O-CB 3.32Å; D485-A489 PolarHBondContact O-N 2.87Å; A489-A491 VanDerWaalsContact C-N 3.27Å; A489-A491 PolarHBondContact O-N 2.67Å; A489-Q492 WeakPolarHBondContact O-CB 3.45Å; A489-Q492 PolarHBondContact O-N 2.94Å; A489-Q492 VanDerWaalsContact O-N 3.15Å
490	L	97.9	Very high	96.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-32.5	174.6	-72.9	173.2	0	0	0	112	V309 M311 C320 I321 V324 L479 L486 V487 Q492 L493 G494	V309-L490 HydrophobicContact CG1-CB 4.2Å; V309-L490 HydrophobicContact CG1-CD1 4.49Å; V309-L490 HydrophobicContact CG2-CD1 4.43Å; M311-L490 HydrophobicContact CE-CB 3.93Å; M311-L490 HydrophobicContact CE-CD2 4.11Å; M311-L490 WeakPolarHBondContact CE-O 3.46Å; C320-L490 HydrophobicContact CB-CD2 3.48Å; C320-L490 VanDerWaalsContact CB-CD2 3.48Å; I321-L490 HydrophobicContact CG1-CD1 4.36Å; I321-L490 HydrophobicContact CG1-CD2 4.34Å; V324-L490 HydrophobicContact CG2-CD2 4.29Å; L479-L490 HydrophobicContact CD2-CD1 3.46Å; L479-L490 VanDerWaalsContact CD2-CD1 3.46Å; L486-L490 HydrophobicContact CD1-CD1 3.85Å; L486-L490 HydrophobicContact CD1-CD2 4.45Å; L486-L490 HydrophobicContact CD1-CG 3.86Å; L486-L490 HydrophobicContact CG-CD1 3.83Å; L486-L490 HydrophobicContact CG-CG 4.28Å; L486-L490 VanDerWaalsContact O-CB 3.25Å; L486-L490 WeakPolarHBondContact O-CB 3.3Å; L486-L490 WeakPolarHBondContact O-CG 3.09Å; L486-L490 PolarHBondContact O-N 3.43Å; V487-L490 PolarHBondContact O-N 3.14Å; L490-Q492 VanDerWaalsContact C-N 3.26Å; L490-Q492 PolarHBondContact O-N 3.12Å; L490-L493 CarbonylContact O-C 3.43Å; L490-L493 PolarHBondContact O-N 2.7Å; L490-L493 VanDerWaalsContact O-N 3.16Å; L490-G494 PolarHBondContact O-N 3.19Å
491	A	96.5	Very high	96.2	Very high	15 Å²	15	47.5 Å²	47.5	12%	0.124	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-32.8	174	0	0	0	0	0	112.5	W279 T280 V487 E488 A489 G494	W279-A491 WeakPolarHBondContact CB-O 3.32Å; T280-A491 HydrophobicContact CG2-CB 3.75Å; V487-A491 WeakPolarHBondContact O-CB 3.4Å; V487-A491 PolarHBondContact O-N 3.29Å; E488-A491 WeakPolarHBondContact O-CB 3.37Å; E488-A491 PolarHBondContact O-N 3.27Å; A489-A491 VanDerWaalsContact C-N 3.27Å; A489-A491 PolarHBondContact O-N 2.67Å; A491-G494 PolarHBondContact O-N 3.25Å
492	Q	96.4	Very high	96	Very high	135 Å²	135	49.4 Å²	49.4	63%	0.631	28%	0.279	S	S	*	.	H	α-helix	trans	-66.3	-42	174.4	-51.4	-48.8	-54.1	0	0	111.4	E488 A489 L490 G494 S495	E488-Q492 PolarHBondContact O-NE2 2.73Å; A489-Q492 WeakPolarHBondContact O-CB 3.45Å; A489-Q492 PolarHBondContact O-N 2.94Å; A489-Q492 VanDerWaalsContact O-N 3.15Å; L490-Q492 VanDerWaalsContact C-N 3.26Å; L490-Q492 PolarHBondContact O-N 3.12Å; Q492-G494 VanDerWaalsContact C-N 3.33Å; Q492-S495 PolarHBondContact O-OG 2.87Å
493	L	95.8	Very high	95.9	Very high	31 Å²	31	48.2 Å²	48.2	16%	0.162	27%	0.273	C	S	.	.	H	α-helix	trans	-72.2	-25.3	176.4	-60.2	-177.9	0	0	0	112.9	M311 C320 A323 V324 L490 S495 F496 H497	M311-L493 HydrophobicContact CE-CB 4.47Å; C320-L493 HydrophobicContact CB-CB 4.45Å; C320-L493 HydrophobicContact CB-CD1 3.79Å; A323-L493 HydrophobicContact CB-CD1 4.33Å; V324-L493 HydrophobicContact CG2-CD1 3.88Å; L490-L493 CarbonylContact O-C 3.43Å; L490-L493 PolarHBondContact O-N 2.7Å; L490-L493 VanDerWaalsContact O-N 3.16Å; L493-S495 PolarHBondContact O-N 3.05Å; L493-S495 VanDerWaalsContact O-N 3.11Å; L493-F496 PolarHBondContact O-N 3.12Å; L493-H497 PolarHBondContact O-CD2 3.45Å; L493-H497 PolarHBondContact O-N 3.21Å
494	G	93.6	Very high	95.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.7	-22.5	176.5	0	0	0	0	0	114.2	L490 A491 Q492 F496 H497 G498	L490-G494 PolarHBondContact O-N 3.19Å; A491-G494 PolarHBondContact O-N 3.25Å; Q492-G494 VanDerWaalsContact C-N 3.33Å; G494-F496 PolarHBondContact O-N 3.27Å; G494-H497 CarbonylContact O-C 3.39Å; G494-H497 PolarHBondContact O-N 3.09Å; G494-G498 WeakPolarHBondContact O-CA 3.46Å; G494-G498 PolarHBondContact O-N 3.03Å
495	S	90.8	Very high	95.7	Very high	52 Å²	52	44.8 Å²	44.8	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-60.1	-28.7	170.5	63.3	0	0	0	0	114.1	Q492 L493	Q492-S495 PolarHBondContact O-OG 2.87Å; L493-S495 PolarHBondContact O-N 3.05Å; L493-S495 VanDerWaalsContact O-N 3.11Å
496	F	93	Very high	95.6	Very high	146 Å²	146	41.6 Å²	41.6	64%	0.64	23%	0.233	S	C	*	.	H	α-helix	trans	-97.4	-19.2	175.1	-50.1	-70	0	0	0	113.1	L493 G494	L493-F496 PolarHBondContact O-N 3.12Å; G494-F496 PolarHBondContact O-N 3.27Å
497	H	95.1	Very high	95.5	Very high	25 Å²	25	41.3 Å²	41.3	12%	0.116	23%	0.231	C	C	.	.	H	α-helix	trans	-115.1	8.9	-171	-71.7	-75.4	0	0	0	114.7	M311 N312 S316 C320 L493 G494	M311-H497 CarbonylContact C-O 3.53Å; M311-H497 WeakPolarHBondContact CA-O 3.34Å; M311-H497 HydrophobicContact CB-CB 4.18Å; M311-H497 HydrophobicContact CG-CB 4.05Å; M311-H497 HydrophobicContact SD-CB 3.89Å; N312-H497 WeakPolarHBondContact CB-O 3.32Å; N312-H497 PolarHBondContact N-O 2.93Å; N312-H497 PolarHBondContact OD1-ND1 2.88Å; S316-H497 WeakPolarHBondContact CB-ND1 3.16Å; S316-H497 WeakPolarHBondContact OG-CB 3.4Å; S316-H497 PolarHBondContact OG-ND1 3.07Å; C320-H497 PolarHBondContact SG-CD2 3.01Å; L493-H497 PolarHBondContact O-CD2 3.45Å; L493-H497 PolarHBondContact O-N 3.21Å; G494-H497 CarbonylContact O-C 3.39Å; G494-H497 PolarHBondContact O-N 3.09Å
498	G	91.7	Very high	95.5	Very high	37 Å²	37	40.5 Å²	40.5	38%	0.381	23%	0.226	S	C	.	.			trans	-65.2	173.9	179.7	0	0	0	0	0	115.1	G494	G494-G498 WeakPolarHBondContact O-CA 3.46Å; G494-G498 PolarHBondContact O-N 3.03Å
499	L	94.6	Very high	95.4	Very high	21 Å²	21	35.8 Å²	35.8	11%	0.11	20%	0.204	C	C	.	.			trans	-131.5	146.1	-172.7	-77.3	156.3	0	0	0	111.3	V310 N312 R475 I476 G501 Q504	V310-L499 HydrophobicContact CG1-CD1 3.71Å; N312-L499 HydrophobicContact CB-CD2 4.14Å; N312-L499 HydrophobicContact CB-CG 4.36Å; R475-L499 HydrophobicContact CB-CD2 3.95Å; I476-L499 HydrophobicContact CB-CD1 4.31Å; I476-L499 HydrophobicContact CD1-CD1 4.02Å; I476-L499 HydrophobicContact CG1-CD1 3.78Å; I476-L499 HydrophobicContact CG1-CD2 4.15Å; I476-L499 HydrophobicContact CG2-CD1 4.41Å; L499-G501 PolarHBondContact O-N 2.94Å; L499-Q504 HydrophobicContact CB-CG 3.87Å; L499-Q504 PolarHBondContact O-NE2 2.84Å
500	P	94.4	Very high	95.4	Very high	78 Å²	78	34.2 Å²	34.2	51%	0.506	19%	0.191	S	C	.	.			trans	-56.3	134.1	175.4	-24.1	33.9	0	0	0	112.3	T502 S503 Q504	P500-T502 PolarHBondContact O-N 2.69Å; P500-S503 PolarHBondContact O-N 3.42Å; P500-Q504 PolarHBondContact O-N 2.93Å
501	G	94.9	Very high	95.4	Very high	6 Å²	6	34.2 Å²	34.2	6%	0.062	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-32.8	-178.5	0	0	0	0	0	113.3	L499 Q504 H505	L499-G501 PolarHBondContact O-N 2.94Å; G501-Q504 PolarHBondContact O-N 2.82Å; G501-H505 WeakPolarHBondContact O-CB 3.35Å; G501-H505 PolarHBondContact O-N 2.86Å
502	T	94.7	Very high	95.4	Very high	41 Å²	41	39.1 Å²	39.1	25%	0.252	21%	0.207	S	C	.	.	H	α-helix	trans	-64.8	-44	174	51.4	0	0	0	0	113	V269 L273 P500 Q504 H505 Q506	V269-T502 HydrophobicContact CB-CG2 4.48Å; V269-T502 HydrophobicContact CG1-CG2 4.04Å; V269-T502 HydrophobicContact CG2-CG2 3.97Å; L273-T502 HydrophobicContact CB-CG2 4.38Å; P500-T502 PolarHBondContact O-N 2.69Å; T502-Q504 VanDerWaalsContact C-N 3.34Å; T502-H505 PolarHBondContact O-N 3.03Å; T502-Q506 WeakPolarHBondContact O-CG 3.18Å; T502-Q506 PolarHBondContact O-N 2.73Å
503	S	94.9	Very high	95.5	Very high	24 Å²	24	34.3 Å²	34.3	17%	0.168	19%	0.185	C	C	.	.	H	α-helix	trans	-67	-35.6	174	-55.6	0	0	0	0	111.9	P500 Q506 V507	P500-S503 PolarHBondContact O-N 3.42Å; S503-Q506 PolarHBondContact O-N 2.9Å; S503-V507 PolarHBondContact O-N 3.18Å; S503-V507 VanDerWaalsContact O-N 3.1Å
504	Q	96.6	Very high	95.5	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.023	19%	0.187	C	C	.	.	H	α-helix	trans	-65	-43.3	173.2	-67.1	-170.6	59.2	0	0	111.7	F284 L285 I476 L499 P500 G501 T502 V507 A508	F284-Q504 HydrophobicContact CE2-CB 4.35Å; F284-Q504 HydrophobicContact CZ-CB 4.35Å; L285-Q504 HydrophobicContact CD2-CB 3.76Å; L285-Q504 HydrophobicContact CD2-CG 3.77Å; I476-Q504 HydrophobicContact CD1-CG 4.34Å; L499-Q504 HydrophobicContact CB-CG 3.87Å; L499-Q504 PolarHBondContact O-NE2 2.84Å; P500-Q504 PolarHBondContact O-N 2.93Å; G501-Q504 PolarHBondContact O-N 2.82Å; T502-Q504 VanDerWaalsContact C-N 3.34Å; Q504-V507 PolarHBondContact O-N 2.98Å; Q504-A508 WeakPolarHBondContact O-CB 3.45Å; Q504-A508 PolarHBondContact O-N 2.84Å
505	H	96.2	Very high	95.7	Very high	19 Å²	19	41 Å²	41	9%	0.088	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-46.5	173.8	172.2	84.9	0	0	0	112	D265 H268 L273 F284 G501 T502 V507 A508 Q509	D265-H505 PolarHBondContact O-NE2 2.94Å; H268-H505 AromaticContact CD2-CE1 3.93Å; L273-H505 HydrophobicContact CD1-CB 3.72Å; L273-H505 HydrophobicContact CD2-CB 4.4Å; F284-H505 HydrophobicContact CE2-CB 4.26Å; F284-H505 HydrophobicContact CZ-CB 4.24Å; G501-H505 WeakPolarHBondContact O-CB 3.35Å; G501-H505 PolarHBondContact O-N 2.86Å; T502-H505 PolarHBondContact O-N 3.03Å; H505-V507 VanDerWaalsContact C-N 3.34Å; H505-V507 PolarHBondContact O-N 2.84Å; H505-A508 PolarHBondContact O-N 3.02Å; H505-A508 VanDerWaalsContact O-N 3.12Å; H505-Q509 PolarHBondContact CE1-NE2 3.41Å; H505-Q509 PolarHBondContact ND1-NE2 2.82Å; H505-Q509 WeakPolarHBondContact NE2-CG 3.38Å; H505-Q509 WeakPolarHBondContact O-CG 3.14Å; H505-Q509 PolarHBondContact O-N 3.5Å
506	Q	96.3	Very high	96	Very high	47 Å²	47	38.9 Å²	38.9	22%	0.22	20%	0.202	C	C	.	.	H	α-helix	trans	-55.9	-46.6	176.9	-80.6	176	-12.2	0	0	112.6	M266 T502 S503 L510	M266-Q506 HydrophobicContact CB-CG 4.37Å; M266-Q506 WeakPolarHBondContact CE-O 3.37Å; M266-Q506 WeakPolarHBondContact O-CG 3.22Å; M266-Q506 PolarHBondContact O-NE2 2.99Å; T502-Q506 WeakPolarHBondContact O-CG 3.18Å; T502-Q506 PolarHBondContact O-N 2.73Å; S503-Q506 PolarHBondContact O-N 2.9Å; Q506-L510 WeakPolarHBondContact O-CB 3.25Å; Q506-L510 PolarHBondContact O-N 3.35Å
507	V	97.4	Very high	96.2	Very high	1 Å²	1	32 Å²	32	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-70	-35.5	177	173	0	0	0	0	111.3	L285 M465 M471 I474 I476 S503 Q504 H505 L510 L511	L285-V507 HydrophobicContact CD1-CB 4.21Å; L285-V507 HydrophobicContact CD1-CG1 3.82Å; M465-V507 HydrophobicContact CE-CG1 3.86Å; M465-V507 HydrophobicContact CE-CG2 4.42Å; M465-V507 HydrophobicContact CG-CG1 3.92Å; M465-V507 HydrophobicContact CG-CG2 4.19Å; M465-V507 HydrophobicContact SD-CG1 3.66Å; M471-V507 HydrophobicContact CE-CG2 4.4Å; I474-V507 HydrophobicContact CG1-CG2 3.86Å; I474-V507 HydrophobicContact CG2-CG2 4.36Å; I476-V507 HydrophobicContact CD1-CB 3.85Å; I476-V507 HydrophobicContact CD1-CG1 4.25Å; I476-V507 HydrophobicContact CD1-CG2 3.7Å; I476-V507 HydrophobicContact CG1-CG2 4.13Å; S503-V507 PolarHBondContact O-N 3.18Å; S503-V507 VanDerWaalsContact O-N 3.1Å; Q504-V507 PolarHBondContact O-N 2.98Å; H505-V507 VanDerWaalsContact C-N 3.34Å; H505-V507 PolarHBondContact O-N 2.84Å; V507-L510 PolarHBondContact O-N 2.92Å; V507-L511 HydrophobicContact CG1-CD1 3.75Å; V507-L511 HydrophobicContact CG1-CG 4Å; V507-L511 VanDerWaalsContact O-CB 3.29Å; V507-L511 WeakPolarHBondContact O-CB 3.38Å; V507-L511 VanDerWaalsContact O-CG 3.25Å; V507-L511 WeakPolarHBondContact O-CG 3.25Å; V507-L511 PolarHBondContact O-N 2.6Å
508	A	97.6	Very high	96.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.2	-41.9	174.8	0	0	0	0	0	112.7	F284 L285 E288 Q504 H505 L511 R512	F284-A508 HydrophobicContact CD2-CB 3.56Å; F284-A508 HydrophobicContact CE2-CB 3.81Å; L285-A508 HydrophobicContact CB-CB 4.37Å; L285-A508 HydrophobicContact CD1-CB 4.1Å; E288-A508 HydrophobicContact CG-CB 4.35Å; Q504-A508 WeakPolarHBondContact O-CB 3.45Å; Q504-A508 PolarHBondContact O-N 2.84Å; H505-A508 PolarHBondContact O-N 3.02Å; H505-A508 VanDerWaalsContact O-N 3.12Å; A508-L511 CarbonylContact O-C 3.57Å; A508-L511 PolarHBondContact O-N 3.12Å; A508-R512 WeakPolarHBondContact O-CB 3.13Å; A508-R512 PolarHBondContact O-N 3.14Å
509	Q	97.4	Very high	96.6	Very high	36 Å²	36	37 Å²	37	17%	0.168	19%	0.19	C	C	.	.	H	α-helix	trans	-68.5	-38	174	-59	-44	-40.5	0	0	111.9	M266 H505 R512 D513	M266-Q509 HydrophobicContact SD-CB 3.59Å; M266-Q509 VanDerWaalsContact SD-CB 3.59Å; M266-Q509 HydrophobicContact SD-CG 4.49Å; H505-Q509 PolarHBondContact CE1-NE2 3.41Å; H505-Q509 PolarHBondContact ND1-NE2 2.82Å; H505-Q509 WeakPolarHBondContact NE2-CG 3.38Å; H505-Q509 WeakPolarHBondContact O-CG 3.14Å; H505-Q509 PolarHBondContact O-N 3.5Å; Q509-R512 PolarHBondContact O-N 3.27Å; Q509-D513 PolarHBondContact O-N 2.76Å
510	L	97.4	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60	-49	173.2	-164.6	67.4	0	0	0	110.8	R260 M266 M465 F469 M471 Q506 V507 R512 D513 W516 I517	R260-L510 HydrophobicContact CG-CD1 3.5Å; R260-L510 VanDerWaalsContact CG-CD1 3.5Å; M266-L510 HydrophobicContact CE-CB 3.89Å; M266-L510 HydrophobicContact CE-CD1 4.05Å; M465-L510 HydrophobicContact CE-CD2 3.8Å; F469-L510 HydrophobicContact CD1-CD2 4.17Å; F469-L510 HydrophobicContact CE1-CD2 4.49Å; M471-L510 HydrophobicContact CE-CD2 3.37Å; M471-L510 HydrophobicContact SD-CD2 4.41Å; Q506-L510 WeakPolarHBondContact O-CB 3.25Å; Q506-L510 PolarHBondContact O-N 3.35Å; V507-L510 PolarHBondContact O-N 2.92Å; L510-R512 PolarHBondContact O-N 2.97Å; L510-D513 PolarHBondContact O-N 3.35Å; L510-W516 HydrophobicContact CD1-CE3 4.03Å; L510-W516 HydrophobicContact CD1-CH2 4.28Å; L510-W516 HydrophobicContact CD1-CZ3 3.58Å; L510-W516 HydrophobicContact CG-CZ3 4.44Å; L510-I517 WeakPolarHBondContact O-CD1 3.4Å
511	L	98.1	Very high	97	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-73.1	-6.6	178.2	-65.2	-177.2	0	0	0	113.6	L285 E288 V289 F292 W463 M465 F469 V507 A508 R514 I517	L285-L511 HydrophobicContact CD1-CD1 4.47Å; E288-L511 HydrophobicContact CB-CB 4.1Å; V289-L511 HydrophobicContact CG2-CD1 3.75Å; F292-L511 HydrophobicContact CB-CD2 4.49Å; F292-L511 HydrophobicContact CD1-CD2 4.21Å; F292-L511 HydrophobicContact CD2-CD2 3.74Å; F292-L511 HydrophobicContact CE1-CD2 4.34Å; F292-L511 HydrophobicContact CE2-CD2 3.88Å; F292-L511 HydrophobicContact CG-CD2 3.9Å; F292-L511 HydrophobicContact CZ-CD2 4.17Å; W463-L511 HydrophobicContact CH2-CD1 4.34Å; W463-L511 HydrophobicContact CH2-CD2 4.09Å; W463-L511 HydrophobicContact CZ3-CD1 4.29Å; M465-L511 HydrophobicContact CE-CD2 4.14Å; M465-L511 HydrophobicContact CE-CG 4.45Å; M465-L511 HydrophobicContact SD-CD1 4.33Å; M465-L511 HydrophobicContact SD-CD2 4.25Å; M465-L511 HydrophobicContact SD-CG 4.48Å; F469-L511 HydrophobicContact CE2-CD2 3.76Å; F469-L511 HydrophobicContact CZ-CD2 3.94Å; V507-L511 HydrophobicContact CG1-CD1 3.75Å; V507-L511 HydrophobicContact CG1-CG 4Å; V507-L511 VanDerWaalsContact O-CB 3.29Å; V507-L511 WeakPolarHBondContact O-CB 3.38Å; V507-L511 VanDerWaalsContact O-CG 3.25Å; V507-L511 WeakPolarHBondContact O-CG 3.25Å; V507-L511 PolarHBondContact O-N 2.6Å; A508-L511 CarbonylContact O-C 3.57Å; A508-L511 PolarHBondContact O-N 3.12Å; L511-R514 PolarHBondContact O-NH1 3.3Å; L511-R514 PolarHBondContact O-NH2 3.01Å; L511-I517 HydrophobicContact CD2-CD1 4.47Å
512	R	97.4	Very high	97.1	Very high	117 Å²	117	36.1 Å²	36.1	44%	0.442	18%	0.177	S	C	.	.	H	α-helix	trans	-87.2	-28.8	167.8	-175.2	171	-70.3	160.4	-4.6	112.4	E288 A508 Q509 L510 R514	E288-R512 IonicContact OE1-CZ 3.98Å; E288-R512 IonicContact OE1-NE 3.39Å; E288-R512 PolarHBondContact OE1-NE 3.04Å; E288-R512 IonicContact OE1-NH2 2.67Å; E288-R512 PolarHBondContact OE1-NH2 2.98Å; A508-R512 WeakPolarHBondContact O-CB 3.13Å; A508-R512 PolarHBondContact O-N 3.14Å; Q509-R512 PolarHBondContact O-N 3.27Å; L510-R512 PolarHBondContact O-N 2.97Å; R512-R514 PolarHBondContact O-N 3.41Å
513	D	97.3	Very high	97.2	Very high	35 Å²	35	37.1 Å²	37.1	19%	0.187	18%	0.184	C	C	.	.			trans	-77.1	62.9	-176.5	-159.4	-15.6	0	0	0	112.4	R260 K263 Q509 L510 D515 W516 I517	R260-D513 IonicContact CZ-OD2 3.78Å; R260-D513 IonicContact NE-OD2 3.81Å; R260-D513 PolarHBondContact NE-OD2 3.34Å; R260-D513 IonicContact NH2-OD2 3.19Å; R260-D513 PolarHBondContact NH2-OD2 3.23Å; K263-D513 IonicContact NZ-OD2 3.25Å; Q509-D513 PolarHBondContact O-N 2.76Å; L510-D513 PolarHBondContact O-N 3.35Å; D513-D515 VanDerWaalsContact C-N 3.25Å; D513-D515 PolarHBondContact O-N 3.43Å; D513-W516 HydrophobicContact CB-CB 4.26Å; D513-W516 PolarHBondContact O-N 2.73Å; D513-W516 WeakPolarHBondContact OD1-CB 3.38Å; D513-W516 PolarHBondContact OD1-N 3.07Å; D513-I517 WeakPolarHBondContact O-CG1 3.35Å; D513-I517 PolarHBondContact O-N 3.14Å
514	R	96.1	Very high	97.4	Very high	51 Å²	51	38 Å²	38	19%	0.192	19%	0.186	C	C	.	.	H	α-helix	trans	-53.6	-40.5	179.8	-76.2	-77.6	161.7	-67.5	-21.4	112.4	F292 L511 R512 I517 N518	F292-R514 VanDerWaalsContact CA-NH2 3.33Å; L511-R514 PolarHBondContact O-NH1 3.3Å; L511-R514 PolarHBondContact O-NH2 3.01Å; R512-R514 PolarHBondContact O-N 3.41Å; R514-I517 PolarHBondContact O-N 3.36Å; R514-N518 VanDerWaalsContact O-CB 3.29Å; R514-N518 WeakPolarHBondContact O-CB 3.38Å; R514-N518 PolarHBondContact O-N 3.38Å; R514-N518 PolarHBondContact O-ND2 3.22Å
515	D	97.1	Very high	97.5	Very high	120 Å²	120	37.8 Å²	37.8	64%	0.642	19%	0.185	S	C	*	.	H	α-helix	trans	-69.5	-42	-176.5	-68.2	-36.8	0	0	0	111.5	D513 N519	D513-D515 VanDerWaalsContact C-N 3.25Å; D513-D515 PolarHBondContact O-N 3.43Å; D515-N519 VanDerWaalsContact O-CB 3.27Å; D515-N519 WeakPolarHBondContact O-CB 3.47Å; D515-N519 PolarHBondContact O-N 3.44Å; D515-N519 PolarHBondContact O-ND2 3.5Å
516	W	97.6	Very high	97.5	Very high	8 Å²	8	41 Å²	41	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-65.9	-42.3	172.5	-177	78.8	0	0	0	112.1	L256 L257 R260 L510 D513 E520 F521	L256-W516 HydrophobicContact CB-CZ2 4.1Å; L257-W516 HydrophobicContact CD2-CH2 4.22Å; R260-W516 HydrophobicContact CB-CD2 4.43Å; R260-W516 HydrophobicContact CB-CH2 3.87Å; R260-W516 HydrophobicContact CB-CZ2 3.56Å; R260-W516 HydrophobicContact CB-CZ3 4.44Å; R260-W516 HydrophobicContact CG-CD2 4.01Å; R260-W516 HydrophobicContact CG-CE3 4.04Å; R260-W516 HydrophobicContact CG-CH2 4Å; R260-W516 HydrophobicContact CG-CZ2 3.97Å; R260-W516 HydrophobicContact CG-CZ3 4.05Å; L510-W516 HydrophobicContact CD1-CE3 4.03Å; L510-W516 HydrophobicContact CD1-CH2 4.28Å; L510-W516 HydrophobicContact CD1-CZ3 3.58Å; L510-W516 HydrophobicContact CG-CZ3 4.44Å; D513-W516 HydrophobicContact CB-CB 4.26Å; D513-W516 PolarHBondContact O-N 2.73Å; D513-W516 WeakPolarHBondContact OD1-CB 3.38Å; D513-W516 PolarHBondContact OD1-N 3.07Å; W516-E520 HydrophobicContact CG-CB 4.34Å; W516-E520 PolarHBondContact NE1-OE2 3.42Å; W516-E520 WeakPolarHBondContact O-CA 3.42Å; W516-E520 WeakPolarHBondContact O-CB 3.31Å; W516-E520 PolarHBondContact O-N 3.02Å; W516-F521 HydrophobicContact CD2-CB 4.23Å; W516-F521 HydrophobicContact CE3-CB 3.94Å; W516-F521 HydrophobicContact CH2-CB 3.66Å; W516-F521 AromaticContact CH2-CD2 3.38Å; W516-F521 HydrophobicContact CH2-CD2 3.38Å; W516-F521 HydrophobicContact CH2-CE2 4.21Å; W516-F521 AromaticContact CH2-CG 3.64Å; W516-F521 HydrophobicContact CH2-CG 3.64Å; W516-F521 HydrophobicContact CZ2-CB 3.95Å; W516-F521 AromaticContact CZ2-CD2 3.94Å; W516-F521 HydrophobicContact CZ2-CD2 3.94Å; W516-F521 HydrophobicContact CZ2-CG 4.28Å; W516-F521 HydrophobicContact CZ3-CB 3.63Å; W516-F521 HydrophobicContact CZ3-CD1 4.47Å; W516-F521 HydrophobicContact CZ3-CD2 4Å; W516-F521 AromaticContact CZ3-CG 3.78Å; W516-F521 HydrophobicContact CZ3-CG 3.78Å; W516-F521 PolarHBondContact O-N 2.94Å
517	I	98.1	Very high	97.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.209	C	C	.	.	I	π-helix	trans	-58.9	-51.8	177.4	-71.7	171.9	0	0	0	111	F292 F469 L510 L511 D513 R514 L522	F292-I517 HydrophobicContact CE2-CD1 4.22Å; F292-I517 HydrophobicContact CE2-CG2 4.45Å; F469-I517 HydrophobicContact CE1-CD1 4.17Å; F469-I517 HydrophobicContact CE1-CG1 4.03Å; F469-I517 HydrophobicContact CZ-CD1 3.9Å; F469-I517 HydrophobicContact CZ-CG1 4.2Å; F469-I517 HydrophobicContact CZ-CG2 4.41Å; L510-I517 WeakPolarHBondContact O-CD1 3.4Å; L511-I517 HydrophobicContact CD2-CD1 4.47Å; D513-I517 WeakPolarHBondContact O-CG1 3.35Å; D513-I517 PolarHBondContact O-N 3.14Å; R514-I517 PolarHBondContact O-N 3.36Å; I517-L522 HydrophobicContact CG2-CD1 3.61Å; I517-L522 HydrophobicContact CG2-CG 3.93Å; I517-L522 WeakPolarHBondContact O-CB 3.37Å; I517-L522 WeakPolarHBondContact O-CG 3.22Å; I517-L522 PolarHBondContact O-N 3.29Å
518	N	97.2	Very high	97.7	Very high	49 Å²	49	47 Å²	47	26%	0.262	22%	0.217	S	C	.	.	I	π-helix	trans	-79.7	-33.5	-171	-70.2	-22.6	0	0	0	113.4	H295 H296 R514 P523	H295-N518 PolarHBondContact NE2-ND2 2.8Å; H296-N518 PolarHBondContact CE1-OD1 2.96Å; R514-N518 VanDerWaalsContact O-CB 3.29Å; R514-N518 WeakPolarHBondContact O-CB 3.38Å; R514-N518 PolarHBondContact O-N 3.38Å; R514-N518 PolarHBondContact O-ND2 3.22Å; N518-P523 VanDerWaalsContact O-CD 3.32Å; N518-P523 WeakPolarHBondContact O-CD 3.47Å; N518-P523 WeakPolarHBondContact O-CG 3.37Å
519	N	97.8	Very high	97.7	Very high	118 Å²	118	47 Å²	47	63%	0.631	22%	0.217	S	C	*	.	I	π-helix	trans	-107.3	-26.1	-171.7	-52	-73.7	0	0	0	114.3	D515	D515-N519 VanDerWaalsContact O-CB 3.27Å; D515-N519 WeakPolarHBondContact O-CB 3.47Å; D515-N519 PolarHBondContact O-N 3.44Å; D515-N519 PolarHBondContact O-ND2 3.5Å
520	E	97.8	Very high	97.7	Very high	83 Å²	83	49.1 Å²	49.1	39%	0.388	23%	0.226	S	C	.	.	I	π-helix	trans	-103.2	-61.3	173.4	-75.8	-172.2	-133.6	0	0	111.7	K259 W516 E524	K259-E520 IonicContact NZ-OE1 3.66Å; K259-E520 IonicContact NZ-OE2 3.37Å; K259-E520 PolarHBondContact NZ-OE2 2.96Å; W516-E520 HydrophobicContact CG-CB 4.34Å; W516-E520 PolarHBondContact NE1-OE2 3.42Å; W516-E520 WeakPolarHBondContact O-CA 3.42Å; W516-E520 WeakPolarHBondContact O-CB 3.31Å; W516-E520 PolarHBondContact O-N 3.02Å; E520-E524 VanDerWaalsContact O-CB 3.3Å; E520-E524 WeakPolarHBondContact O-CB 3.15Å; E520-E524 PolarHBondContact O-N 2.93Å
521	F	98.4	Very high	97.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.248	C	C	.	.	I	π-helix	trans	-75.2	-56.5	-162.1	-179	-100.4	0	0	0	114.3	C253 L256 L257 D468 F469 W516 E524 N525	C253-F521 HydrophobicContact CB-CD2 4.46Å; C253-F521 HydrophobicContact CB-CE2 3.73Å; C253-F521 HydrophobicContact CB-CZ 4.45Å; L256-F521 HydrophobicContact CB-CD2 4.28Å; L256-F521 HydrophobicContact CD1-CD2 4.07Å; L257-F521 HydrophobicContact CD1-CE2 4.3Å; L257-F521 HydrophobicContact CD2-CE2 4.05Å; L257-F521 HydrophobicContact CG-CE2 3.98Å; D468-F521 WeakPolarHBondContact O-CE1 3.43Å; F469-F521 AromaticContact CD1-CD1 3.92Å; F469-F521 HydrophobicContact CD1-CD1 3.92Å; F469-F521 AromaticContact CD1-CE1 3.48Å; F469-F521 HydrophobicContact CD1-CE1 3.48Å; F469-F521 VanDerWaalsContact CD1-CE1 3.48Å; F469-F521 HydrophobicContact CD1-CZ 4.06Å; F469-F521 AromaticContact CE1-CD1 3.92Å; F469-F521 HydrophobicContact CE1-CD1 3.92Å; F469-F521 AromaticContact CE1-CE1 3.92Å; F469-F521 HydrophobicContact CE1-CE1 3.92Å; F469-F521 HydrophobicContact CG-CE1 4.31Å; W516-F521 HydrophobicContact CD2-CB 4.23Å; W516-F521 HydrophobicContact CE3-CB 3.94Å; W516-F521 HydrophobicContact CH2-CB 3.66Å; W516-F521 AromaticContact CH2-CD2 3.38Å; W516-F521 HydrophobicContact CH2-CD2 3.38Å; W516-F521 HydrophobicContact CH2-CE2 4.21Å; W516-F521 AromaticContact CH2-CG 3.64Å; W516-F521 HydrophobicContact CH2-CG 3.64Å; W516-F521 HydrophobicContact CZ2-CB 3.95Å; W516-F521 AromaticContact CZ2-CD2 3.94Å; W516-F521 HydrophobicContact CZ2-CD2 3.94Å; W516-F521 HydrophobicContact CZ2-CG 4.28Å; W516-F521 HydrophobicContact CZ3-CB 3.63Å; W516-F521 HydrophobicContact CZ3-CD1 4.47Å; W516-F521 HydrophobicContact CZ3-CD2 4Å; W516-F521 AromaticContact CZ3-CG 3.78Å; W516-F521 HydrophobicContact CZ3-CG 3.78Å; W516-F521 PolarHBondContact O-N 2.94Å; F521-E524 PolarHBondContact O-N 3.44Å; F521-N525 WeakPolarHBondContact O-CB 3.46Å; F521-N525 PolarHBondContact O-N 3.2Å
522	L	97.6	Very high	97.8	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-41.4	-175.6	-67.3	178.5	0	0	0	113.6	L435 I517 R526	L435-L522 HydrophobicContact CB-CD2 3.96Å; L435-L522 HydrophobicContact CD1-CD1 4.12Å; L435-L522 HydrophobicContact CD1-CD2 4.17Å; L435-L522 HydrophobicContact CD2-CD1 4.29Å; I517-L522 HydrophobicContact CG2-CD1 3.61Å; I517-L522 HydrophobicContact CG2-CG 3.93Å; I517-L522 WeakPolarHBondContact O-CB 3.37Å; I517-L522 WeakPolarHBondContact O-CG 3.22Å; I517-L522 PolarHBondContact O-N 3.29Å; L522-R526 WeakPolarHBondContact O-CB 3.46Å; L522-R526 VanDerWaalsContact O-CG 3.28Å; L522-R526 WeakPolarHBondContact O-CG 3.21Å; L522-R526 PolarHBondContact O-N 3.19Å
523	P	97.6	Very high	97.8	Very high	62 Å²	62	48.8 Å²	48.8	40%	0.403	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-45.3	175.5	-23.6	34.8	0	0	0	112.3	N518 R526 R527	N518-P523 VanDerWaalsContact O-CD 3.32Å; N518-P523 WeakPolarHBondContact O-CD 3.47Å; N518-P523 WeakPolarHBondContact O-CG 3.37Å; P523-R526 PolarHBondContact O-N 2.81Å; P523-R527 WeakPolarHBondContact O-CB 3.32Å; P523-R527 PolarHBondContact O-N 3.02Å
524	E	98.2	Very high	97.8	Very high	44 Å²	44	50.1 Å²	50.1	21%	0.206	25%	0.245	C	C	.	.	H	α-helix	trans	-72.3	-36.5	-178.5	-179.5	61.2	-179.8	0	0	112.2	L256 E520 F521 R527 R528	L256-E524 HydrophobicContact CD1-CB 4Å; L256-E524 HydrophobicContact CD1-CG 3.76Å; E520-E524 VanDerWaalsContact O-CB 3.3Å; E520-E524 WeakPolarHBondContact O-CB 3.15Å; E520-E524 PolarHBondContact O-N 2.93Å; F521-E524 PolarHBondContact O-N 3.44Å; E524-R527 VanDerWaalsContact CD-NH2 3.28Å; E524-R527 PolarHBondContact O-N 3.29Å; E524-R527 IonicContact OE1-CZ 2.6Å; E524-R527 IonicContact OE1-NE 3.98Å; E524-R527 IonicContact OE1-NH2 2.86Å; E524-R527 PolarHBondContact OE1-NH2 3.42Å; E524-R527 IonicContact OE2-CZ 2.73Å; E524-R527 VanDerWaalsContact OE2-CZ 3.3Å; E524-R527 IonicContact OE2-NE 2.73Å; E524-R527 PolarHBondContact OE2-NE 2.78Å; E524-R527 IonicContact OE2-NH2 3.19Å; E524-R527 PolarHBondContact OE2-NH2 3.17Å; E524-R527 VanDerWaalsContact OE2-NH2 3.07Å; E524-R528 WeakPolarHBondContact O-CB 3.43Å; E524-R528 VanDerWaalsContact O-CG 3.29Å; E524-R528 WeakPolarHBondContact O-CG 3.43Å; E524-R528 PolarHBondContact O-N 3.35Å; E524-R528 IonicContact OE1-CZ 2.6Å; E524-R528 IonicContact OE1-NE 2.74Å; E524-R528 PolarHBondContact OE1-NE 3.13Å; E524-R528 IonicContact OE1-NH2 3.06Å; E524-R528 PolarHBondContact OE1-NH2 3.43Å
525	N	98.1	Very high	97.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-50.3	172.2	-173.7	25.2	0	0	0	111	N250 C253 D468 F521 R527 R528 L529	N250-N525 PolarHBondContact ND2-OD1 3.25Å; C253-N525 VanDerWaalsContact SG-CA 3.57Å; D468-N525 PolarHBondContact O-ND2 3.3Å; D468-N525 VanDerWaalsContact O-ND2 3.13Å; F521-N525 WeakPolarHBondContact O-CB 3.46Å; F521-N525 PolarHBondContact O-N 3.2Å; N525-R527 PolarHBondContact O-N 3.14Å; N525-R528 PolarHBondContact O-N 2.84Å; N525-L529 WeakPolarHBondContact O-CB 3.3Å; N525-L529 VanDerWaalsContact O-CG 3.3Å; N525-L529 WeakPolarHBondContact O-CG 3.34Å; N525-L529 PolarHBondContact O-N 3.05Å
526	R	97.9	Very high	98	Very high	87 Å²	87	42.8 Å²	42.8	33%	0.328	21%	0.21	S	C	.	.	H	α-helix	trans	-59.2	-44.5	175.1	-72.2	174.4	177	150.6	1.6	111.9	L435 V437 F438 L522 P523 R528 L529 K530	L435-R526 PolarHBondContact O-NE 3.18Å; V437-R526 WeakPolarHBondContact O-CD 3.23Å; V437-R526 WeakPolarHBondContact O-CG 3.46Å; V437-R526 PolarHBondContact O-NE 3.23Å; F438-R526 HydrophobicContact CB-CB 4.03Å; F438-R526 HydrophobicContact CB-CG 4.19Å; L522-R526 WeakPolarHBondContact O-CB 3.46Å; L522-R526 VanDerWaalsContact O-CG 3.28Å; L522-R526 WeakPolarHBondContact O-CG 3.21Å; L522-R526 PolarHBondContact O-N 3.19Å; P523-R526 PolarHBondContact O-N 2.81Å; R526-R528 VanDerWaalsContact C-N 3.35Å; R526-R528 PolarHBondContact O-N 2.68Å; R526-L529 PolarHBondContact O-N 3.2Å; R526-K530 WeakPolarHBondContact O-CB 3.48Å; R526-K530 PolarHBondContact O-N 3.21Å
527	R	98	Very high	98	Very high	127 Å²	127	42.6 Å²	42.6	48%	0.479	21%	0.209	S	C	.	.	H	α-helix	trans	-59.8	-43.1	176.2	-166.3	-168.8	67.1	79.5	3.7	111.7	P523 E524 N525 N531	P523-R527 WeakPolarHBondContact O-CB 3.32Å; P523-R527 PolarHBondContact O-N 3.02Å; E524-R527 VanDerWaalsContact CD-NH2 3.28Å; E524-R527 PolarHBondContact O-N 3.29Å; E524-R527 IonicContact OE1-CZ 2.6Å; E524-R527 IonicContact OE1-NE 3.98Å; E524-R527 IonicContact OE1-NH2 2.86Å; E524-R527 PolarHBondContact OE1-NH2 3.42Å; E524-R527 IonicContact OE2-CZ 2.73Å; E524-R527 VanDerWaalsContact OE2-CZ 3.3Å; E524-R527 IonicContact OE2-NE 2.73Å; E524-R527 PolarHBondContact OE2-NE 2.78Å; E524-R527 IonicContact OE2-NH2 3.19Å; E524-R527 PolarHBondContact OE2-NH2 3.17Å; E524-R527 VanDerWaalsContact OE2-NH2 3.07Å; N525-R527 PolarHBondContact O-N 3.14Å; R527-N531 PolarHBondContact NH1-ND2 3.4Å; R527-N531 PolarHBondContact O-N 3.47Å; R527-N531 VanDerWaalsContact O-N 3.13Å; R527-N531 PolarHBondContact O-ND2 3.32Å
528	R	98.3	Very high	98	Very high	47 Å²	47	49.4 Å²	49.4	18%	0.177	24%	0.235	C	C	.	.	H	α-helix	trans	-69.1	-44.2	177.8	-70.1	177.8	-169.3	-171	9.7	111.9	L252 D255 E524 N525 R526 N531 A532	L252-R528 HydrophobicContact CB-CB 4.02Å; L252-R528 HydrophobicContact CD1-CB 4.01Å; L252-R528 HydrophobicContact CD2-CB 4.47Å; L252-R528 HydrophobicContact CG-CB 4.41Å; L252-R528 WeakPolarHBondContact O-CD 3.1Å; L252-R528 PolarHBondContact O-NH1 3.3Å; D255-R528 IonicContact OD1-CZ 3.88Å; D255-R528 IonicContact OD1-NH1 2.65Å; D255-R528 PolarHBondContact OD1-NH1 3.45Å; D255-R528 IonicContact OD1-NH2 2.93Å; D255-R528 IonicContact OD2-CZ 3.72Å; D255-R528 IonicContact OD2-NH1 3.14Å; D255-R528 PolarHBondContact OD2-NH1 2.97Å; D255-R528 IonicContact OD2-NH2 2.65Å; D255-R528 PolarHBondContact OD2-NH2 2.93Å; E524-R528 WeakPolarHBondContact O-CB 3.43Å; E524-R528 VanDerWaalsContact O-CG 3.29Å; E524-R528 WeakPolarHBondContact O-CG 3.43Å; E524-R528 PolarHBondContact O-N 3.35Å; E524-R528 IonicContact OE1-CZ 2.6Å; E524-R528 IonicContact OE1-NE 2.74Å; E524-R528 PolarHBondContact OE1-NE 3.13Å; E524-R528 IonicContact OE1-NH2 3.06Å; E524-R528 PolarHBondContact OE1-NH2 3.43Å; N525-R528 PolarHBondContact O-N 2.84Å; R526-R528 VanDerWaalsContact C-N 3.35Å; R526-R528 PolarHBondContact O-N 2.68Å; R528-N531 PolarHBondContact O-N 3.39Å; R528-A532 WeakPolarHBondContact O-CB 3.19Å; R528-A532 PolarHBondContact O-N 3.07Å
529	L	98.4	Very high	98	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.6	-49.6	174.9	-72.7	167.6	0	0	0	111.2	L252 T436 F438 N525 R526 N531 A532 H533 L554 F604 A605	L252-L529 HydrophobicContact CD1-CB 4.48Å; L252-L529 HydrophobicContact CD1-CD2 3.62Å; L252-L529 HydrophobicContact CD1-CG 3.93Å; T436-L529 HydrophobicContact CG2-CD1 4.36Å; F438-L529 HydrophobicContact CB-CB 4.07Å; F438-L529 HydrophobicContact CD1-CB 3.73Å; F438-L529 HydrophobicContact CD1-CD1 4.41Å; F438-L529 HydrophobicContact CE1-CB 4.42Å; F438-L529 HydrophobicContact CG-CB 3.97Å; N525-L529 WeakPolarHBondContact O-CB 3.3Å; N525-L529 VanDerWaalsContact O-CG 3.3Å; N525-L529 WeakPolarHBondContact O-CG 3.34Å; N525-L529 PolarHBondContact O-N 3.05Å; R526-L529 PolarHBondContact O-N 3.2Å; L529-N531 VanDerWaalsContact C-N 3.35Å; L529-N531 PolarHBondContact O-N 2.86Å; L529-A532 PolarHBondContact O-N 3.24Å; L529-H533 VanDerWaalsContact O-CB 3.29Å; L529-H533 WeakPolarHBondContact O-CB 3.23Å; L529-H533 PolarHBondContact O-N 3.22Å; L529-L554 HydrophobicContact CD1-CD2 4.48Å; L529-L554 HydrophobicContact CD2-CD2 3.52Å; L529-F604 HydrophobicContact CB-CE2 4.26Å; L529-F604 HydrophobicContact CD2-CE2 3.72Å; L529-F604 WeakPolarHBondContact O-CE2 3.28Å; L529-A605 HydrophobicContact CD2-CB 3.91Å
530	K	97.9	Very high	98	Very high	80 Å²	80	43.3 Å²	43.3	35%	0.348	20%	0.201	S	C	.	.	H	α-helix	trans	-58.3	-43.6	177.6	-171.7	161.8	-179.1	161.4	0	112.3	F438 D439 R526 S534	F438-K530 HydrophobicContact CB-CB 4.46Å; F438-K530 HydrophobicContact CD2-CB 3.7Å; F438-K530 HydrophobicContact CD2-CG 4.1Å; F438-K530 HydrophobicContact CE2-CB 4.39Å; F438-K530 HydrophobicContact CG-CB 4.37Å; F438-K530 WeakPolarHBondContact O-CD 3.43Å; D439-K530 IonicContact OD1-NZ 2.84Å; D439-K530 WeakPolarHBondContact OD2-CE 3.47Å; D439-K530 IonicContact OD2-NZ 2.87Å; D439-K530 PolarHBondContact OD2-NZ 2.92Å; R526-K530 WeakPolarHBondContact O-CB 3.48Å; R526-K530 PolarHBondContact O-N 3.21Å; K530-S534 WeakPolarHBondContact O-CB 3.4Å; K530-S534 PolarHBondContact O-N 2.85Å; K530-S534 PolarHBondContact O-OG 2.83Å; K530-S534 VanDerWaalsContact O-OG 3.08Å
531	N	97.9	Very high	98	Very high	89 Å²	89	46.5 Å²	46.5	48%	0.476	21%	0.21	S	C	.	.	H	α-helix	trans	-65.4	-43.3	176.9	-76.8	-52.1	0	0	0	113	R527 R528 L529 S534 L535	R527-N531 PolarHBondContact NH1-ND2 3.4Å; R527-N531 PolarHBondContact O-N 3.47Å; R527-N531 VanDerWaalsContact O-N 3.13Å; R527-N531 PolarHBondContact O-ND2 3.32Å; R528-N531 PolarHBondContact O-N 3.39Å; L529-N531 VanDerWaalsContact C-N 3.35Å; L529-N531 PolarHBondContact O-N 2.86Å; N531-S534 PolarHBondContact O-N 2.88Å; N531-L535 PolarHBondContact O-N 2.89Å
532	A	98.3	Very high	97.9	Very high	10 Å²	10	50.3 Å²	50.3	8%	0.083	24%	0.237	C	C	.	.	H	α-helix	trans	-68.6	-39.7	178.6	0	0	0	0	0	112.1	L252 R528 L529 L535 L536 F604 L611	L252-A532 HydrophobicContact CD1-CB 4.48Å; L252-A532 HydrophobicContact CD2-CB 4.47Å; R528-A532 WeakPolarHBondContact O-CB 3.19Å; R528-A532 PolarHBondContact O-N 3.07Å; L529-A532 PolarHBondContact O-N 3.24Å; A532-L535 PolarHBondContact O-N 3.36Å; A532-L536 PolarHBondContact O-N 3.11Å; A532-F604 HydrophobicContact CB-CB 4.36Å; A532-F604 HydrophobicContact CB-CD2 3.79Å; A532-F604 WeakPolarHBondContact CB-O 3.33Å; A532-L611 HydrophobicContact CB-CD2 4.14Å
533	H	98.3	Very high	97.8	Very high	11 Å²	11	52.3 Å²	52.3	5%	0.051	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-48.9	170.3	-179.6	-106.2	0	0	0	111.5	F438 L529 L535 L536 T537 D549 F604	F438-H533 HydrophobicContact CE2-CB 3.83Å; F438-H533 AromaticContact CE2-CG 3.78Å; F438-H533 AromaticContact CE2-ND1 3.73Å; F438-H533 HydrophobicContact CZ-CB 3.63Å; F438-H533 AromaticContact CZ-CD2 3.88Å; F438-H533 AromaticContact CZ-CG 3.5Å; F438-H533 VanDerWaalsContact CZ-CG 3.5Å; F438-H533 AromaticContact CZ-ND1 3.81Å; L529-H533 VanDerWaalsContact O-CB 3.29Å; L529-H533 WeakPolarHBondContact O-CB 3.23Å; L529-H533 PolarHBondContact O-N 3.22Å; H533-L535 VanDerWaalsContact C-N 3.27Å; H533-L535 PolarHBondContact O-N 2.98Å; H533-L536 PolarHBondContact O-N 2.94Å; H533-T537 WeakPolarHBondContact NE2-CG2 3.18Å; H533-T537 WeakPolarHBondContact O-CB 3.48Å; H533-T537 WeakPolarHBondContact O-CG2 3.48Å; H533-T537 PolarHBondContact O-N 3.2Å; H533-T537 PolarHBondContact O-OG1 3.25Å; H533-D549 IonicContact CE1-OD1 3.34Å; H533-D549 PolarHBondContact CE1-OD1 2.77Å; H533-F604 HydrophobicContact CB-CD1 4.33Å; H533-F604 HydrophobicContact CB-CD2 4.25Å; H533-F604 HydrophobicContact CB-CE1 4.06Å; H533-F604 HydrophobicContact CB-CE2 3.99Å; H533-F604 HydrophobicContact CB-CG 4.42Å; H533-F604 HydrophobicContact CB-CZ 3.91Å; H533-F604 AromaticContact CD2-CE1 3.62Å
534	S	97.6	Very high	97.8	Very high	62 Å²	62	51.7 Å²	51.7	43%	0.434	25%	0.252	S	S	.	.	H	α-helix	trans	-62	-30.9	176.3	-68.9	0	0	0	0	113.5	K530 N531 T537 R538	K530-S534 WeakPolarHBondContact O-CB 3.4Å; K530-S534 PolarHBondContact O-N 2.85Å; K530-S534 PolarHBondContact O-OG 2.83Å; K530-S534 VanDerWaalsContact O-OG 3.08Å; N531-S534 PolarHBondContact O-N 2.88Å; S534-T537 WeakPolarHBondContact CA-OG1 3.43Å; S534-T537 PolarHBondContact O-OG1 3.3Å; S534-R538 WeakPolarHBondContact O-CB 3.29Å; S534-R538 PolarHBondContact O-N 3.49Å
535	L	97.9	Very high	97.8	Very high	17 Å²	17	49.8 Å²	49.8	9%	0.089	24%	0.243	C	C	.	.	H	α-helix	trans	-68.4	-53.8	172.5	178.2	57	0	0	0	111.2	N531 A532 H533 R538 E539 Q608 L611 Q612 L615	N531-L535 PolarHBondContact O-N 2.89Å; A532-L535 PolarHBondContact O-N 3.36Å; H533-L535 VanDerWaalsContact C-N 3.27Å; H533-L535 PolarHBondContact O-N 2.98Å; L535-R538 PolarHBondContact O-N 2.87Å; L535-E539 PolarHBondContact O-N 3.36Å; L535-Q608 HydrophobicContact CD2-CG 3.98Å; L535-L611 HydrophobicContact CD2-CD2 4.08Å; L535-L611 HydrophobicContact CD2-CG 4.41Å; L535-L611 HydrophobicContact CG-CD2 4.43Å; L535-Q612 HydrophobicContact CD2-CG 4.06Å; L535-L615 HydrophobicContact CG-CD1 4.31Å
536	L	98.3	Very high	97.7	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.6	-52.5	179.1	172.3	55.9	0	0	0	111.7	A532 H533 R538 E539 L540 V556 I602 F604 L615	A532-L536 PolarHBondContact O-N 3.11Å; H533-L536 PolarHBondContact O-N 2.94Å; L536-R538 VanDerWaalsContact C-N 3.31Å; L536-R538 PolarHBondContact O-N 2.7Å; L536-E539 PolarHBondContact O-N 2.94Å; L536-E539 VanDerWaalsContact O-N 3.11Å; L536-L540 HydrophobicContact CD1-CD1 3.94Å; L536-L540 HydrophobicContact CD1-CD2 4.23Å; L536-L540 HydrophobicContact CD1-CG 3.84Å; L536-L540 HydrophobicContact CG-CD1 4.1Å; L536-L540 HydrophobicContact CG-CG 4.37Å; L536-L540 WeakPolarHBondContact O-CG 3.35Å; L536-L540 PolarHBondContact O-N 3.24Å; L536-V556 HydrophobicContact CD2-CG1 4.28Å; L536-V556 HydrophobicContact CD2-CG2 3.69Å; L536-V556 HydrophobicContact CG-CG2 4.25Å; L536-I602 HydrophobicContact CD1-CG2 3.94Å; L536-I602 HydrophobicContact CD2-CB 4.12Å; L536-I602 HydrophobicContact CD2-CG2 3.8Å; L536-F604 HydrophobicContact CB-CB 4.16Å; L536-F604 HydrophobicContact CD2-CB 3.79Å; L536-F604 HydrophobicContact CD2-CD1 4.15Å; L536-F604 HydrophobicContact CD2-CG 4.47Å; L536-L615 HydrophobicContact CD1-CD2 3.64Å
537	T	98	Very high	97.7	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-34.5	-177.4	53	0	0	0	0	113	H533 S534 L540 R541 F547 V556	H533-T537 WeakPolarHBondContact NE2-CG2 3.18Å; H533-T537 WeakPolarHBondContact O-CB 3.48Å; H533-T537 WeakPolarHBondContact O-CG2 3.48Å; H533-T537 PolarHBondContact O-N 3.2Å; H533-T537 PolarHBondContact O-OG1 3.25Å; S534-T537 WeakPolarHBondContact CA-OG1 3.43Å; S534-T537 PolarHBondContact O-OG1 3.3Å; T537-L540 PolarHBondContact O-N 2.9Å; T537-R541 WeakPolarHBondContact O-CB 3.44Å; T537-R541 VanDerWaalsContact O-CG 3.24Å; T537-R541 WeakPolarHBondContact O-CG 3.38Å; T537-R541 PolarHBondContact O-N 3.3Å; T537-F547 HydrophobicContact CG2-CD2 4.05Å; T537-F547 HydrophobicContact CG2-CE2 3.31Å; T537-F547 HydrophobicContact CG2-CZ 3.63Å; T537-V556 HydrophobicContact CG2-CG1 4.16Å
538	R	97.9	Very high	97.6	Very high	143 Å²	143	45.1 Å²	45.1	54%	0.54	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-43	172.8	-173	-174	69.8	-154.9	-1.2	111.9	S534 L535 L536 R541 S542	S534-R538 WeakPolarHBondContact O-CB 3.29Å; S534-R538 PolarHBondContact O-N 3.49Å; L535-R538 PolarHBondContact O-N 2.87Å; L536-R538 VanDerWaalsContact C-N 3.31Å; L536-R538 PolarHBondContact O-N 2.7Å; R538-R541 PolarHBondContact O-N 2.99Å; R538-S542 PolarHBondContact O-N 2.71Å
539	E	97.4	Very high	97.4	Very high	39 Å²	39	46.1 Å²	46.1	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-74.4	-30.5	178.6	-56	-41	140.2	0	0	112.9	L535 L536 S542 L543 L615	L535-E539 PolarHBondContact O-N 3.36Å; L536-E539 PolarHBondContact O-N 2.94Å; L536-E539 VanDerWaalsContact O-N 3.11Å; E539-S542 WeakPolarHBondContact CA-OG 3.27Å; E539-S542 PolarHBondContact O-N 3.19Å; E539-S542 PolarHBondContact O-OG 3.31Å; E539-S542 PolarHBondContact OE2-OG 3.29Å; E539-L543 WeakPolarHBondContact O-CD1 3.35Å; E539-L543 VanDerWaalsContact O-CG 3.22Å; E539-L543 WeakPolarHBondContact O-CG 3.11Å; E539-L543 PolarHBondContact O-N 3.47Å; E539-L543 VanDerWaalsContact O-N 3.13Å; E539-L615 HydrophobicContact CB-CD1 4.4Å; E539-L615 HydrophobicContact CB-CD2 4.06Å; E539-L615 HydrophobicContact CG-CD1 4.1Å
540	L	98.1	Very high	97.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-42.9	169.3	-66	-178.6	0	0	0	111.3	L536 T537 S542 L543 G544 I545 F547 V556 A558 I602	L536-L540 HydrophobicContact CD1-CD1 3.94Å; L536-L540 HydrophobicContact CD1-CD2 4.23Å; L536-L540 HydrophobicContact CD1-CG 3.84Å; L536-L540 HydrophobicContact CG-CD1 4.1Å; L536-L540 HydrophobicContact CG-CG 4.37Å; L536-L540 WeakPolarHBondContact O-CG 3.35Å; L536-L540 PolarHBondContact O-N 3.24Å; T537-L540 PolarHBondContact O-N 2.9Å; L540-S542 PolarHBondContact O-N 2.71Å; L540-L543 CarbonylContact O-C 3.54Å; L540-L543 PolarHBondContact O-N 2.89Å; L540-G544 PolarHBondContact O-N 3.3Å; L540-G544 VanDerWaalsContact O-N 3.12Å; L540-I545 HydrophobicContact CB-CB 4.24Å; L540-I545 HydrophobicContact CD2-CB 4.23Å; L540-I545 HydrophobicContact CD2-CD1 3.91Å; L540-I545 HydrophobicContact CD2-CG2 4.06Å; L540-I545 PolarHBondContact O-N 3.47Å; L540-F547 HydrophobicContact CB-CD1 3.59Å; L540-F547 HydrophobicContact CB-CE1 3.59Å; L540-F547 HydrophobicContact CD1-CB 4.2Å; L540-F547 HydrophobicContact CD1-CD1 3.65Å; L540-F547 HydrophobicContact CD1-CE1 4.25Å; L540-F547 HydrophobicContact CD1-CG 3.96Å; L540-F547 HydrophobicContact CG-CD1 4.28Å; L540-V556 HydrophobicContact CD1-CG2 3.71Å; L540-A558 HydrophobicContact CD1-CB 4.28Å; L540-I602 HydrophobicContact CD2-CD1 4.11Å
541	R	98	Very high	97.1	Very high	150 Å²	150	47.5 Å²	47.5	57%	0.566	25%	0.252	S	S	*	.	H	α-helix	trans	-62.6	-39.3	173.3	-70	173.4	-166.8	161.2	3.9	112.3	T537 R538 L543 G544 F547 D549	T537-R541 WeakPolarHBondContact O-CB 3.44Å; T537-R541 VanDerWaalsContact O-CG 3.24Å; T537-R541 WeakPolarHBondContact O-CG 3.38Å; T537-R541 PolarHBondContact O-N 3.3Å; R538-R541 PolarHBondContact O-N 2.99Å; R541-L543 VanDerWaalsContact C-N 3.26Å; R541-L543 PolarHBondContact O-N 3.41Å; R541-G544 WeakPolarHBondContact O-CA 3.5Å; R541-G544 PolarHBondContact O-N 3.06Å; R541-F547 HydrophobicContact CG-CE1 3.92Å; R541-F547 HydrophobicContact CG-CZ 4.05Å; R541-D549 IonicContact CZ-OD2 3Å; R541-D549 IonicContact NH2-OD2 2.69Å; R541-D549 PolarHBondContact NH2-OD2 2.98Å
542	S	96.9	Very high	97	Very high	81 Å²	81	43.3 Å²	43.3	57%	0.566	23%	0.23	S	C	*	.	H	α-helix	trans	-66.3	-27.6	177.4	76.1	0	0	0	0	112.9	R538 E539 L540 G544	R538-S542 PolarHBondContact O-N 2.71Å; E539-S542 WeakPolarHBondContact CA-OG 3.27Å; E539-S542 PolarHBondContact O-N 3.19Å; E539-S542 PolarHBondContact O-OG 3.31Å; E539-S542 PolarHBondContact OE2-OG 3.29Å; L540-S542 PolarHBondContact O-N 2.71Å; S542-G544 VanDerWaalsContact C-N 3.33Å
543	L	95.8	Very high	97	Very high	46 Å²	46	42.9 Å²	42.9	24%	0.241	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	0.6	171.3	-60.4	166.9	0	0	0	113.6	E539 L540 R541 I545 K562 Q619	E539-L543 WeakPolarHBondContact O-CD1 3.35Å; E539-L543 VanDerWaalsContact O-CG 3.22Å; E539-L543 WeakPolarHBondContact O-CG 3.11Å; E539-L543 PolarHBondContact O-N 3.47Å; E539-L543 VanDerWaalsContact O-N 3.13Å; L540-L543 CarbonylContact O-C 3.54Å; L540-L543 PolarHBondContact O-N 2.89Å; R541-L543 VanDerWaalsContact C-N 3.26Å; R541-L543 PolarHBondContact O-N 3.41Å; L543-I545 HydrophobicContact CB-CD1 3.61Å; L543-I545 HydrophobicContact CB-CG1 3.81Å; L543-I545 HydrophobicContact CD1-CD1 3.78Å; L543-I545 HydrophobicContact CG-CD1 4.36Å; L543-I545 PolarHBondContact O-N 2.98Å; L543-K562 PolarHBondContact O-NZ 3.47Å; L543-Q619 HydrophobicContact CD1-CG 3.7Å; L543-Q619 HydrophobicContact CD2-CG 3.88Å; L543-Q619 HydrophobicContact CG-CG 4.32Å
544	G	96.9	Very high	97	Very high	48 Å²	48	42.3 Å²	42.3	50%	0.495	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	29.3	-174.8	0	0	0	0	0	113.6	L540 R541 S542 K562	L540-G544 PolarHBondContact O-N 3.3Å; L540-G544 VanDerWaalsContact O-N 3.12Å; R541-G544 WeakPolarHBondContact O-CA 3.5Å; R541-G544 PolarHBondContact O-N 3.06Å; S542-G544 VanDerWaalsContact C-N 3.33Å; G544-K562 PolarHBondContact O-NZ 3.22Å
545	I	97.7	Very high	97	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	20%	0.203	C	C	.	.			trans	-85.9	120.8	-179.8	-66.3	168.8	0	0	0	108.1	L540 L543 F547 A558 L560 Y563 L622	L540-I545 HydrophobicContact CB-CB 4.24Å; L540-I545 HydrophobicContact CD2-CB 4.23Å; L540-I545 HydrophobicContact CD2-CD1 3.91Å; L540-I545 HydrophobicContact CD2-CG2 4.06Å; L540-I545 PolarHBondContact O-N 3.47Å; L543-I545 HydrophobicContact CB-CD1 3.61Å; L543-I545 HydrophobicContact CB-CG1 3.81Å; L543-I545 HydrophobicContact CD1-CD1 3.78Å; L543-I545 HydrophobicContact CG-CD1 4.36Å; L543-I545 PolarHBondContact O-N 2.98Å; I545-F547 WeakPolarHBondContact O-CD1 3.49Å; I545-A558 HydrophobicContact CG2-CB 4.21Å; I545-L560 HydrophobicContact CD1-CD2 3.95Å; I545-L560 HydrophobicContact CG1-CD2 4.21Å; I545-L560 HydrophobicContact CG2-CD2 3.78Å; I545-Y563 HydrophobicContact CD1-CE2 4.41Å; I545-Y563 HydrophobicContact CG1-CE2 4.21Å; I545-L622 HydrophobicContact CD1-CD1 3.69Å
546	P	97	Very high	97	Very high	68 Å²	68	38.6 Å²	38.6	44%	0.442	20%	0.199	S	C	.	.			trans	-68.2	151.6	170.9	-13.2	28	0	0	0	111.2	D559	P546-D559 HydrophobicContact CB-CB 4.02Å; P546-D559 HydrophobicContact CG-CB 4.22Å; P546-D559 PolarHBondContact O-N 2.95Å
547	F	97.3	Very high	97.1	Very high	30 Å²	30	38.6 Å²	38.6	13%	0.132	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-158.8	161.6	174	54.9	-89.3	0	0	0	110.1	T537 L540 R541 I545 D549 W557 A558	T537-F547 HydrophobicContact CG2-CD2 4.05Å; T537-F547 HydrophobicContact CG2-CE2 3.31Å; T537-F547 HydrophobicContact CG2-CZ 3.63Å; L540-F547 HydrophobicContact CB-CD1 3.59Å; L540-F547 HydrophobicContact CB-CE1 3.59Å; L540-F547 HydrophobicContact CD1-CB 4.2Å; L540-F547 HydrophobicContact CD1-CD1 3.65Å; L540-F547 HydrophobicContact CD1-CE1 4.25Å; L540-F547 HydrophobicContact CD1-CG 3.96Å; L540-F547 HydrophobicContact CG-CD1 4.28Å; R541-F547 HydrophobicContact CG-CE1 3.92Å; R541-F547 HydrophobicContact CG-CZ 4.05Å; I545-F547 WeakPolarHBondContact O-CD1 3.49Å; F547-D549 HydrophobicContact CD2-CB 4.19Å; F547-D549 HydrophobicContact CE2-CB 3.78Å; F547-D549 PolarHBondContact O-N 3.44Å; F547-W557 CarbonylContact C-O 2.89Å; F547-W557 WeakPolarHBondContact CA-O 3.27Å; F547-W557 WeakPolarHBondContact CB-O 3.5Å; F547-A558 HydrophobicContact CB-CB 4.12Å
548	L	96.3	Very high	97.1	Very high	19 Å²	19	38.4 Å²	38.4	10%	0.099	20%	0.198	C	C	.	.			trans	-75.7	105	171	-54.7	-172.9	0	0	0	109.5	H370 F371 L404 R550 W557 W599	H370-L548 HydrophobicContact CB-CD2 3.83Å; F371-L548 HydrophobicContact CD2-CD1 4.18Å; L404-L548 HydrophobicContact CB-CD1 4.16Å; L404-L548 HydrophobicContact CD2-CD1 3.73Å; L548-R550 HydrophobicContact CB-CG 4.41Å; L548-R550 PolarHBondContact O-N 3.03Å; L548-W557 HydrophobicContact CB-CB 4.38Å; L548-W557 HydrophobicContact CD1-CB 4.06Å; L548-W557 HydrophobicContact CD1-CG 4.29Å; L548-W557 HydrophobicContact CG-CB 4.14Å; L548-W557 PolarHBondContact N-O 2.61Å; L548-W599 HydrophobicContact CD2-CH2 4.49Å; L548-W599 HydrophobicContact CD2-CZ3 4.5Å; L548-W599 HydrophobicContact CG-CZ3 4.43Å
549	D	94.5	Very high	97.1	Very high	68 Å²	68	32.4 Å²	32.4	36%	0.364	18%	0.176	S	C	.	.			trans	-81	96	179.3	-152.3	-27.6	0	0	0	109.4	H533 R541 F547	H533-D549 IonicContact CE1-OD1 3.34Å; H533-D549 PolarHBondContact CE1-OD1 2.77Å; R541-D549 IonicContact CZ-OD2 3Å; R541-D549 IonicContact NH2-OD2 2.69Å; R541-D549 PolarHBondContact NH2-OD2 2.98Å; F547-D549 HydrophobicContact CD2-CB 4.19Å; F547-D549 HydrophobicContact CE2-CB 3.78Å; F547-D549 PolarHBondContact O-N 3.44Å
550	R	94.3	Very high	97.1	Very high	80 Å²	80	30.7 Å²	30.7	30%	0.302	17%	0.168	S	C	.	.			trans	-137	125.5	-172.4	-67.2	-60.4	-169.8	-122.1	9.6	110.9	A405 E406 L548 A552	A405-R550 HydrophobicContact CB-CB 3.82Å; A405-R550 WeakPolarHBondContact O-CB 3.44Å; E406-R550 IonicContact OE1-NH2 3.04Å; E406-R550 IonicContact OE2-CZ 3.29Å; E406-R550 IonicContact OE2-NE 3.2Å; E406-R550 PolarHBondContact OE2-NE 3.14Å; E406-R550 IonicContact OE2-NH2 2.69Å; E406-R550 PolarHBondContact OE2-NH2 2.99Å; L548-R550 HydrophobicContact CB-CG 4.41Å; L548-R550 PolarHBondContact O-N 3.03Å; R550-A552 PolarHBondContact O-N 3Å
551	P	94.6	Very high	97	Very high	29 Å²	29	33.8 Å²	33.8	19%	0.188	18%	0.18	C	C	.	.	S	Bend	trans	-85.6	48.5	-171.9	35.1	-36.4	0	0	0	113.7	V437 F438 D439 V442	V437-P551 WeakPolarHBondContact CA-O 3.44Å; F438-P551 HydrophobicContact CD2-CB 4.1Å; F438-P551 HydrophobicContact CE2-CB 3.82Å; F438-P551 VanDerWaalsContact CZ-C 3.46Å; F438-P551 VanDerWaalsContact CZ-CA 3.41Å; F438-P551 HydrophobicContact CZ-CB 4.23Å; F438-P551 PolarHBondContact N-O 3.44Å; D439-P551 HydrophobicContact CB-CB 3.45Å; D439-P551 VanDerWaalsContact CB-CB 3.45Å; D439-P551 HydrophobicContact CB-CG 3.79Å; V442-P551 HydrophobicContact CB-CG 4.16Å; V442-P551 HydrophobicContact CG1-CG 4.42Å; V442-P551 HydrophobicContact CG2-CG 3.74Å
552	A	96.6	Very high	96.9	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.008	17%	0.174	C	C	.	.	S	Bend	trans	-142.5	167.8	-174.6	0	0	0	0	0	112.5	P400 A405 L407 V437 R550	P400-A552 HydrophobicContact CB-CB 4.12Å; P400-A552 HydrophobicContact CG-CB 4.33Å; A405-A552 HydrophobicContact CB-CB 4.48Å; L407-A552 HydrophobicContact CD2-CB 3.94Å; V437-A552 HydrophobicContact CG2-CB 3.97Å; R550-A552 PolarHBondContact O-N 3Å
553	A	97.3	Very high	96.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	56.7	-150.5	-180	0	0	0	0	0	113.1	A405 Y433 T436 Y555	A405-A553 HydrophobicContact CB-CB 4.29Å; Y433-A553 HydrophobicContact CD1-CB 3.82Å; Y433-A553 HydrophobicContact CE1-CB 4.17Å; Y433-A553 HydrophobicContact CG-CB 4.14Å; T436-A553 PolarHBondContact O-N 3.07Å; T436-A553 VanDerWaalsContact OG1-CA 3.24Å; T436-A553 WeakPolarHBondContact OG1-CA 3.33Å; T436-A553 PolarHBondContact OG1-N 3.48Å; A553-Y555 HydrophobicContact CB-CD1 4.46Å; A553-Y555 HydrophobicContact CB-CD2 4.4Å; A553-Y555 HydrophobicContact CB-CE1 3.83Å; A553-Y555 HydrophobicContact CB-CE2 3.74Å; A553-Y555 VanDerWaalsContact CB-CZ 3.4Å; A553-Y555 WeakPolarHBondContact CB-OH 3.33Å
554	L	98.3	Very high	96.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-124.9	6.4	-167.9	-55.3	179.4	0	0	0	113	N250 Y433 T436 K467 L529 V603 F604 A605	N250-L554 HydrophobicContact CB-CD1 3.86Å; N250-L554 HydrophobicContact CB-CD2 3.79Å; Y433-L554 HydrophobicContact CD1-CG 4.34Å; Y433-L554 HydrophobicContact CE1-CD1 4.01Å; Y433-L554 HydrophobicContact CE1-CG 3.98Å; T436-L554 HydrophobicContact CG2-CD2 3.98Å; K467-L554 HydrophobicContact CB-CD1 4.23Å; K467-L554 HydrophobicContact CD-CD1 4.12Å; L529-L554 HydrophobicContact CD1-CD2 4.48Å; L529-L554 HydrophobicContact CD2-CD2 3.52Å; L554-V603 WeakPolarHBondContact O-CA 3.43Å; L554-V603 WeakPolarHBondContact O-CG1 3.44Å; L554-F604 PolarHBondContact O-N 2.85Å; L554-A605 HydrophobicContact CB-CB 3.89Å; L554-A605 HydrophobicContact CD2-CB 3.83Å; L554-A605 HydrophobicContact CG-CB 4.32Å
555	Y	98.5	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	165	-166	44.3	-104.2	0	0	0	112.1	S248 H401 N402 P403 A405 Y433 A553 R601 I602	S248-Y555 WeakPolarHBondContact OG-CD1 3.33Å; S248-Y555 WeakPolarHBondContact OG-CE1 3.25Å; H401-Y555 PolarHBondContact O-OH 3.24Å; N402-Y555 VanDerWaalsContact CA-OH 3.25Å; N402-Y555 WeakPolarHBondContact CA-OH 3.34Å; N402-Y555 WeakPolarHBondContact CB-OH 3.43Å; P403-Y555 VanDerWaalsContact O-CD2 3.27Å; P403-Y555 WeakPolarHBondContact O-CD2 3.46Å; P403-Y555 WeakPolarHBondContact O-CE2 3.46Å; A405-Y555 HydrophobicContact CB-CE2 4.14Å; Y433-Y555 HydrophobicContact CE1-CE1 4Å; Y433-Y555 AromaticContact CZ-CE1 3.8Å; A553-Y555 HydrophobicContact CB-CD1 4.46Å; A553-Y555 HydrophobicContact CB-CD2 4.4Å; A553-Y555 HydrophobicContact CB-CE1 3.83Å; A553-Y555 HydrophobicContact CB-CE2 3.74Å; A553-Y555 VanDerWaalsContact CB-CZ 3.4Å; A553-Y555 WeakPolarHBondContact CB-OH 3.33Å; Y555-R601 HydrophobicContact CD1-CG 4.36Å; Y555-R601 HydrophobicContact CD2-CG 4.04Å; Y555-R601 HydrophobicContact CG-CG 3.73Å; Y555-I602 CarbonylContact C-O 3.58Å; Y555-I602 WeakPolarHBondContact CA-O 3.36Å; Y555-I602 VanDerWaalsContact CB-O 3.32Å; Y555-I602 WeakPolarHBondContact CB-O 3.45Å
556	V	98.3	Very high	96.4	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	155.9	163.8	-54.6	0	0	0	0	110.4	L536 T537 L540 R601 I602 F604	L536-V556 HydrophobicContact CD2-CG1 4.28Å; L536-V556 HydrophobicContact CD2-CG2 3.69Å; L536-V556 HydrophobicContact CG-CG2 4.25Å; T537-V556 HydrophobicContact CG2-CG1 4.16Å; L540-V556 HydrophobicContact CD1-CG2 3.71Å; V556-R601 WeakPolarHBondContact O-CA 3.46Å; V556-I602 HydrophobicContact CG2-CB 4.29Å; V556-I602 PolarHBondContact N-O 3.5Å; V556-I602 PolarHBondContact O-N 3.02Å; V556-F604 HydrophobicContact CG1-CD1 4.35Å; V556-F604 HydrophobicContact CG1-CE1 4.42Å
557	W	98.4	Very high	96.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	108.9	171.8	-168.2	-121.2	0	0	0	108.6	P337 F371 P403 L404 F547 L548 F592 C594 W599 R601	P337-W557 HydrophobicContact CB-CH2 4.36Å; P337-W557 HydrophobicContact CB-CZ2 3.97Å; P337-W557 HydrophobicContact CG-CZ2 3.82Å; F371-W557 AromaticContact CE2-CD1 3.71Å; F371-W557 AromaticContact CE2-NE1 3.36Å; F371-W557 AromaticContact CZ-NE1 3.53Å; P403-W557 HydrophobicContact CB-CD2 4.18Å; P403-W557 HydrophobicContact CB-CE3 3.52Å; P403-W557 HydrophobicContact CB-CH2 4.27Å; P403-W557 HydrophobicContact CB-CZ3 3.59Å; P403-W557 HydrophobicContact CG-CD2 3.89Å; P403-W557 HydrophobicContact CG-CE3 3.58Å; P403-W557 HydrophobicContact CG-CH2 3.6Å; P403-W557 HydrophobicContact CG-CZ2 3.94Å; P403-W557 HydrophobicContact CG-CZ3 3.44Å; P403-W557 VanDerWaalsContact CG-CZ3 3.44Å; L404-W557 HydrophobicContact CD2-CG 4.12Å; F547-W557 CarbonylContact C-O 2.89Å; F547-W557 WeakPolarHBondContact CA-O 3.27Å; F547-W557 WeakPolarHBondContact CB-O 3.5Å; L548-W557 HydrophobicContact CB-CB 4.38Å; L548-W557 HydrophobicContact CD1-CB 4.06Å; L548-W557 HydrophobicContact CD1-CG 4.29Å; L548-W557 HydrophobicContact CG-CB 4.14Å; L548-W557 PolarHBondContact N-O 2.61Å; W557-F592 HydrophobicContact CH2-CB 4.09Å; W557-F592 AromaticContact CH2-CD2 3.9Å; W557-F592 HydrophobicContact CH2-CD2 3.9Å; W557-F592 HydrophobicContact CH2-CG 4.1Å; W557-F592 AromaticContact CZ3-CD2 3.89Å; W557-F592 HydrophobicContact CZ3-CD2 3.89Å; W557-F592 HydrophobicContact CZ3-CE2 4.23Å; W557-F592 HydrophobicContact CZ3-CG 4.25Å; W557-C594 HydrophobicContact CZ2-CB 4.23Å; W557-W599 AromaticContact CD1-CD2 3.99Å; W557-W599 AromaticContact CD1-CE3 3.26Å; W557-W599 AromaticContact CD1-CZ3 3.66Å; W557-W599 HydrophobicContact CD2-CB 4.4Å; W557-W599 HydrophobicContact CD2-CE3 4.44Å; W557-W599 AromaticContact CG-CE3 3.96Å; W557-W599 HydrophobicContact CG-CE3 3.96Å; W557-W599 HydrophobicContact CG-CZ3 4.45Å; W557-W599 HydrophobicContact CH2-CB 4.27Å; W557-W599 HydrophobicContact CZ2-CB 3.59Å; W557-W599 HydrophobicContact CZ2-CG 4.41Å; W557-W599 AromaticContact NE1-CD2 3.64Å; W557-W599 AromaticContact NE1-CE3 3.41Å; W557-W599 AromaticContact NE1-CG 3.84Å; W557-R601 HydrophobicContact CE3-CB 3.86Å; W557-R601 HydrophobicContact CZ3-CB 3.87Å
558	A	98.3	Very high	96.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	142.3	-169.7	0	0	0	0	0	112.5	L540 I545 F547 W599 F600 I602	L540-A558 HydrophobicContact CD1-CB 4.28Å; I545-A558 HydrophobicContact CG2-CB 4.21Å; F547-A558 HydrophobicContact CB-CB 4.12Å; A558-W599 CarbonylContact O-C 3.08Å; A558-W599 WeakPolarHBondContact O-CA 3.18Å; A558-F600 PolarHBondContact N-O 3.12Å; A558-F600 PolarHBondContact O-N 3.4Å; A558-I602 HydrophobicContact CB-CD1 4.02Å
559	D	97.9	Very high	96.3	Very high	17 Å²	17	39.4 Å²	39.4	9%	0.091	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	107.6	178.3	-173.8	-10.2	0	0	0	110.7	P546 R561 W599	P546-D559 HydrophobicContact CB-CB 4.02Å; P546-D559 HydrophobicContact CG-CB 4.22Å; P546-D559 PolarHBondContact O-N 2.95Å; D559-R561 VanDerWaalsContact CG-NE 3.3Å; D559-R561 WeakPolarHBondContact OD1-CB 3.43Å; D559-R561 WeakPolarHBondContact OD1-CG 3.37Å; D559-R561 PolarHBondContact OD1-N 3.21Å; D559-R561 IonicContact OD1-NE 3.58Å; D559-R561 PolarHBondContact OD1-NE 2.88Å; D559-R561 IonicContact OD2-CZ 2.73Å; D559-R561 VanDerWaalsContact OD2-CZ 3.24Å; D559-R561 IonicContact OD2-NE 2.8Å; D559-R561 PolarHBondContact OD2-NE 2.97Å; D559-R561 IonicContact OD2-NH2 3.63Å; D559-R561 PolarHBondContact OD2-NH2 2.85Å; D559-W599 HydrophobicContact CB-CD2 4.41Å; D559-W599 HydrophobicContact CB-CE3 4.14Å; D559-W599 HydrophobicContact CB-CH2 3.93Å; D559-W599 HydrophobicContact CB-CZ2 4.19Å; D559-W599 HydrophobicContact CB-CZ3 3.9Å
560	L	98	Very high	96.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	21%	0.213	C	C	.	.			trans	-106.7	14.4	174.4	-57.2	-174.6	0	0	0	112.7	I545 K562 Y563 L575 F579 G598 F600 L622	I545-L560 HydrophobicContact CD1-CD2 3.95Å; I545-L560 HydrophobicContact CG1-CD2 4.21Å; I545-L560 HydrophobicContact CG2-CD2 3.78Å; L560-K562 PolarHBondContact O-N 3.31Å; L560-K562 VanDerWaalsContact O-N 3.1Å; L560-Y563 HydrophobicContact CB-CD2 4.1Å; L560-Y563 HydrophobicContact CD2-CD2 4.06Å; L560-Y563 HydrophobicContact CD2-CE2 3.97Å; L560-Y563 WeakPolarHBondContact O-CB 3.4Å; L560-Y563 PolarHBondContact O-N 3.29Å; L560-L575 HydrophobicContact CB-CD2 3.99Å; L560-L575 HydrophobicContact CD1-CD2 4.22Å; L560-F579 HydrophobicContact CD1-CE2 3.74Å; L560-F579 HydrophobicContact CD1-CZ 3.67Å; L560-G598 CarbonylContact C-O 3.51Å; L560-G598 WeakPolarHBondContact CA-O 3.39Å; L560-G598 WeakPolarHBondContact CB-O 3.42Å; L560-G598 PolarHBondContact N-O 3.43Å; L560-F600 HydrophobicContact CB-CD2 3.98Å; L560-F600 HydrophobicContact CB-CE2 4.26Å; L560-F600 HydrophobicContact CD1-CB 4.18Å; L560-F600 HydrophobicContact CD1-CD1 4.47Å; L560-F600 HydrophobicContact CD1-CD2 3.62Å; L560-F600 HydrophobicContact CD1-CE2 4.1Å; L560-F600 HydrophobicContact CD1-CG 3.85Å; L560-F600 HydrophobicContact CG-CD2 3.99Å; L560-F600 HydrophobicContact CG-CG 4.5Å; L560-L622 HydrophobicContact CD2-CD1 4.46Å
561	R	96.2	Very high	96.5	Very high	66 Å²	66	41.8 Å²	41.8	25%	0.249	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-52.9	-36.1	179.6	-69.8	179.7	-66.6	176.4	-2.4	112.7	E362 D559 Y563 L564 P597 G598	E362-R561 IonicContact OE1-CZ 2.74Å; E362-R561 IonicContact OE1-NH1 3.6Å; E362-R561 PolarHBondContact OE1-NH1 3.15Å; E362-R561 IonicContact OE1-NH2 3.75Å; E362-R561 PolarHBondContact OE1-NH2 2.73Å; D559-R561 VanDerWaalsContact CG-NE 3.3Å; D559-R561 WeakPolarHBondContact OD1-CB 3.43Å; D559-R561 WeakPolarHBondContact OD1-CG 3.37Å; D559-R561 PolarHBondContact OD1-N 3.21Å; D559-R561 IonicContact OD1-NE 3.58Å; D559-R561 PolarHBondContact OD1-NE 2.88Å; D559-R561 IonicContact OD2-CZ 2.73Å; D559-R561 VanDerWaalsContact OD2-CZ 3.24Å; D559-R561 IonicContact OD2-NE 2.8Å; D559-R561 PolarHBondContact OD2-NE 2.97Å; D559-R561 IonicContact OD2-NH2 3.63Å; D559-R561 PolarHBondContact OD2-NH2 2.85Å; R561-Y563 PolarHBondContact O-N 3.4Å; R561-L564 PolarHBondContact O-N 3.4Å; R561-P597 VanDerWaalsContact CG-O 3.28Å; R561-P597 WeakPolarHBondContact CG-O 3.42Å; R561-G598 PolarHBondContact N-O 2.95Å
562	K	95.4	Very high	96.7	Very high	101 Å²	101	40.4 Å²	40.4	44%	0.439	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-62.4	-4.5	175.6	74	178	-172.1	175.4	0	115.8	L543 G544 L560	L543-K562 PolarHBondContact O-NZ 3.47Å; G544-K562 PolarHBondContact O-NZ 3.22Å; L560-K562 PolarHBondContact O-N 3.31Å; L560-K562 VanDerWaalsContact O-N 3.1Å
563	Y	95.9	Very high	96.7	Very high	5 Å²	5	41.9 Å²	41.9	2%	0.02	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-108.5	-10.5	175.9	-64.5	-85.6	0	0	0	113.4	I545 L560 R561 L622 T625 K626 N629	I545-Y563 HydrophobicContact CD1-CE2 4.41Å; I545-Y563 HydrophobicContact CG1-CE2 4.21Å; L560-Y563 HydrophobicContact CB-CD2 4.1Å; L560-Y563 HydrophobicContact CD2-CD2 4.06Å; L560-Y563 HydrophobicContact CD2-CE2 3.97Å; L560-Y563 WeakPolarHBondContact O-CB 3.4Å; L560-Y563 PolarHBondContact O-N 3.29Å; R561-Y563 PolarHBondContact O-N 3.4Å; Y563-L622 HydrophobicContact CD1-CB 4.28Å; Y563-L622 HydrophobicContact CD1-CD2 3.68Å; Y563-L622 HydrophobicContact CD2-CD2 3.76Å; Y563-L622 HydrophobicContact CE1-CB 3.67Å; Y563-L622 HydrophobicContact CE1-CD1 4.39Å; Y563-L622 HydrophobicContact CE1-CD2 3.72Å; Y563-L622 HydrophobicContact CE1-CG 4.12Å; Y563-L622 HydrophobicContact CE2-CD1 4.1Å; Y563-L622 HydrophobicContact CE2-CD2 3.81Å; Y563-L622 HydrophobicContact CE2-CG 4.45Å; Y563-L622 HydrophobicContact CG-CD2 3.69Å; Y563-T625 VanDerWaalsContact O-CG2 3.25Å; Y563-T625 WeakPolarHBondContact O-CG2 3.23Å; Y563-K626 HydrophobicContact CD1-CG 4.08Å; Y563-K626 HydrophobicContact CE1-CD 3.99Å; Y563-K626 HydrophobicContact CE1-CG 3.92Å; Y563-N629 PolarHBondContact O-ND2 2.91Å; Y563-N629 VanDerWaalsContact O-ND2 3.13Å
564	L	95.5	Very high	96.7	Very high	19 Å²	19	44.7 Å²	44.7	10%	0.099	23%	0.227	C	C	.	.			trans	-81.8	142	173.8	-48.5	-170.4	0	0	0	109.6	R561 K566 E571 L575 P597	R561-L564 PolarHBondContact O-N 3.4Å; L564-K566 VanDerWaalsContact C-N 3.32Å; L564-K566 VanDerWaalsContact CB-O 3.31Å; L564-K566 WeakPolarHBondContact CB-O 3.46Å; L564-E571 HydrophobicContact CB-CB 3.96Å; L564-E571 HydrophobicContact CD1-CB 4.3Å; L564-E571 HydrophobicContact CD2-CB 4.09Å; L564-E571 HydrophobicContact CG-CB 4.33Å; L564-L575 HydrophobicContact CD2-CB 4.12Å; L564-L575 HydrophobicContact CD2-CD2 3.77Å; L564-P597 HydrophobicContact CD1-CB 4.41Å
565	N	91.5	Very high	96.7	Very high	86 Å²	86	45 Å²	45	46%	0.46	23%	0.228	S	C	.	.	S	Bend	trans	-76.8	-24.8	173.3	-62.7	-84.3	0	0	0	111.9	E571 N629	N565-E571 VanDerWaalsContact CB-OE2 3.24Å; N565-E571 WeakPolarHBondContact CB-OE2 3.49Å; N565-E571 PolarHBondContact N-OE2 2.71Å; N565-E571 PolarHBondContact ND2-OE2 3.24Å; N565-N629 PolarHBondContact ND2-OD1 2.92Å; N565-N629 WeakPolarHBondContact OD1-CB 3.29Å; N565-N629 PolarHBondContact OD1-ND2 2.89Å; N565-N629 PolarHBondContact OD1-OD1 2.92Å
566	K	93.4	Very high	96.7	Very high	155 Å²	155	45.1 Å²	45.1	67%	0.674	23%	0.228	S	C	*	.	S	Bend	trans	-141.6	148.9	177.5	-61.7	176	-175.7	170.2	0	108.5	L564 S568 E571	L564-K566 VanDerWaalsContact C-N 3.32Å; L564-K566 VanDerWaalsContact CB-O 3.31Å; L564-K566 WeakPolarHBondContact CB-O 3.46Å; K566-S568 VanDerWaalsContact C-N 3.26Å; K566-S568 PolarHBondContact O-N 2.87Å; K566-E571 HydrophobicContact CB-CG 4.26Å
567	S	94.8	Very high	96.6	Very high	95 Å²	95	50.7 Å²	50.7	66%	0.664	25%	0.25	S	C	*	.	S	Bend	trans	-74.4	80.9	172	-165.2	0	0	0	0	109.8	P597	S567-P597 WeakPolarHBondContact OG-CG 3.34Å
568	S	97.3	Very high	96.6	Very high	33 Å²	33	50.8 Å²	50.8	23%	0.231	25%	0.25	C	C	.	.	S	Bend	trans	-143	152.5	178.3	78.4	0	0	0	0	112	K566 E570 E571 E572 P597	K566-S568 VanDerWaalsContact C-N 3.26Å; K566-S568 PolarHBondContact O-N 2.87Å; S568-E570 PolarHBondContact O-N 3.03Å; S568-E571 PolarHBondContact O-N 2.93Å; S568-E571 PolarHBondContact OG-N 3.05Å; S568-E572 PolarHBondContact O-N 2.99Å; S568-E572 VanDerWaalsContact O-N 3.1Å; S568-P597 WeakPolarHBondContact O-CB 3.44Å
569	F	97.1	Very high	96.6	Very high	69 Å²	69	50.8 Å²	50.8	30%	0.303	25%	0.25	S	C	.	.	H	α-helix	trans	-67.9	-22.6	173.9	-63.6	-66.8	0	0	0	112.9	E572 L573 Q590 C594 P597	F569-E572 PolarHBondContact O-N 2.59Å; F569-L573 WeakPolarHBondContact O-CB 3.33Å; F569-L573 WeakPolarHBondContact O-CG 3.12Å; F569-L573 PolarHBondContact O-N 3.25Å; F569-Q590 HydrophobicContact CB-CG 4.47Å; F569-Q590 HydrophobicContact CD1-CB 3.7Å; F569-Q590 HydrophobicContact CD1-CG 3.94Å; F569-Q590 HydrophobicContact CE1-CB 4.19Å; F569-Q590 HydrophobicContact CE1-CG 4.46Å; F569-Q590 HydrophobicContact CG-CB 4.43Å; F569-Q590 HydrophobicContact CG-CG 4.24Å; F569-C594 VanDerWaalsContact CZ-O 3.29Å; F569-C594 WeakPolarHBondContact CZ-O 3.26Å; F569-P597 HydrophobicContact CD1-CB 3.66Å; F569-P597 HydrophobicContact CE1-CB 3.8Å; F569-P597 HydrophobicContact CG-CB 4.19Å; F569-P597 HydrophobicContact CZ-CB 4.42Å
570	E	96.9	Very high	96.6	Very high	155 Å²	155	50.6 Å²	50.6	72%	0.724	25%	0.249	S	C	*	.	H	α-helix	trans	-65.7	-45	172.8	-175.8	177.7	-160.4	0	0	111.5	S568 L573 S574	S568-E570 PolarHBondContact O-N 3.03Å; E570-L573 PolarHBondContact O-N 3.34Å; E570-S574 WeakPolarHBondContact O-CB 3.19Å; E570-S574 PolarHBondContact O-N 2.87Å
571	E	96.9	Very high	96.5	Very high	44 Å²	44	56.6 Å²	56.6	21%	0.206	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-38.5	173.1	-73.8	-74.3	113.3	0	0	111.2	L564 N565 K566 S568 S574 L575	L564-E571 HydrophobicContact CB-CB 3.96Å; L564-E571 HydrophobicContact CD1-CB 4.3Å; L564-E571 HydrophobicContact CD2-CB 4.09Å; L564-E571 HydrophobicContact CG-CB 4.33Å; N565-E571 VanDerWaalsContact CB-OE2 3.24Å; N565-E571 WeakPolarHBondContact CB-OE2 3.49Å; N565-E571 PolarHBondContact N-OE2 2.71Å; N565-E571 PolarHBondContact ND2-OE2 3.24Å; K566-E571 HydrophobicContact CB-CG 4.26Å; S568-E571 PolarHBondContact O-N 2.93Å; S568-E571 PolarHBondContact OG-N 3.05Å; E571-S574 WeakPolarHBondContact O-CB 3.34Å; E571-S574 PolarHBondContact O-N 3.43Å; E571-L575 WeakPolarHBondContact O-CB 3.41Å; E571-L575 PolarHBondContact O-N 2.94Å
572	E	98.2	Very high	96.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.3	-46.9	174.7	-168.6	-168.7	92	0	0	111.9	S568 F569 S574 L575 W576 C588 G589 Q590 P597 G598 F600	S568-E572 PolarHBondContact O-N 2.99Å; S568-E572 VanDerWaalsContact O-N 3.1Å; F569-E572 PolarHBondContact O-N 2.59Å; E572-S574 VanDerWaalsContact C-N 3.33Å; E572-S574 PolarHBondContact O-N 3.42Å; E572-L575 PolarHBondContact O-N 2.78Å; E572-W576 WeakPolarHBondContact O-CB 3.49Å; E572-W576 PolarHBondContact O-N 3.08Å; E572-C588 HydrophobicContact CG-CB 3.84Å; E572-C588 VanDerWaalsContact OE1-CB 3.23Å; E572-C588 WeakPolarHBondContact OE1-CB 3.4Å; E572-C588 PolarHBondContact OE1-SG 2.63Å; E572-G589 PolarHBondContact OE1-N 2.81Å; E572-G589 WeakPolarHBondContact OE2-CA 3.47Å; E572-G589 PolarHBondContact OE2-N 3.29Å; E572-Q590 WeakPolarHBondContact OE1-CB 3.4Å; E572-Q590 PolarHBondContact OE1-N 3.38Å; E572-P597 HydrophobicContact CB-CB 4.34Å; E572-P597 VanDerWaalsContact OE2-CA 3.32Å; E572-P597 WeakPolarHBondContact OE2-CA 3.44Å; E572-G598 PolarHBondContact OE2-N 2.94Å; E572-F600 HydrophobicContact CG-CE2 3.79Å; E572-F600 HydrophobicContact CG-CZ 3.84Å
573	L	97.1	Very high	96.8	Very high	31 Å²	31	54.2 Å²	54.2	16%	0.162	26%	0.263	C	S	.	.	H	α-helix	trans	-66.4	-33.7	175.4	-73	176.2	0	0	0	112.4	I220 F569 E570 W576 R577	I220-L573 HydrophobicContact CD1-CD2 3.93Å; I220-L573 HydrophobicContact CG1-CD2 4.21Å; I220-L573 HydrophobicContact CG2-CD2 4.3Å; F569-L573 WeakPolarHBondContact O-CB 3.33Å; F569-L573 WeakPolarHBondContact O-CG 3.12Å; F569-L573 PolarHBondContact O-N 3.25Å; E570-L573 PolarHBondContact O-N 3.34Å; L573-W576 HydrophobicContact CD2-CE3 4.29Å; L573-W576 PolarHBondContact O-N 3.43Å; L573-R577 WeakPolarHBondContact O-CB 3.37Å; L573-R577 VanDerWaalsContact O-CG 3.3Å; L573-R577 WeakPolarHBondContact O-CG 3.47Å; L573-R577 PolarHBondContact O-N 3.43Å
574	S	97	Very high	96.9	Very high	60 Å²	60	54 Å²	54	42%	0.42	26%	0.263	S	S	.	.	H	α-helix	trans	-63.7	-42.9	173.7	-171	0	0	0	0	111.5	E570 E571 E572 C578	E570-S574 WeakPolarHBondContact O-CB 3.19Å; E570-S574 PolarHBondContact O-N 2.87Å; E571-S574 WeakPolarHBondContact O-CB 3.34Å; E571-S574 PolarHBondContact O-N 3.43Å; E572-S574 VanDerWaalsContact C-N 3.33Å; E572-S574 PolarHBondContact O-N 3.42Å; S574-C578 PolarHBondContact O-N 2.99Å
575	L	97.9	Very high	97	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-68.4	-41.7	173.8	177.9	58.9	0	0	0	112.1	L560 L564 E571 E572 R577 C578 F579 F600 L622 T625	L560-L575 HydrophobicContact CB-CD2 3.99Å; L560-L575 HydrophobicContact CD1-CD2 4.22Å; L564-L575 HydrophobicContact CD2-CB 4.12Å; L564-L575 HydrophobicContact CD2-CD2 3.77Å; E571-L575 WeakPolarHBondContact O-CB 3.41Å; E571-L575 PolarHBondContact O-N 2.94Å; E572-L575 PolarHBondContact O-N 2.78Å; L575-R577 PolarHBondContact O-N 2.65Å; L575-C578 HydrophobicContact CD1-CB 4.46Å; L575-C578 WeakPolarHBondContact O-CA 3.29Å; L575-C578 WeakPolarHBondContact O-CB 3.32Å; L575-C578 PolarHBondContact O-N 3.37Å; L575-F579 HydrophobicContact CD1-CD2 4.47Å; L575-F579 HydrophobicContact CD1-CE2 3.87Å; L575-F579 HydrophobicContact CD1-CZ 4.06Å; L575-F579 HydrophobicContact CD2-CE2 4.35Å; L575-F579 HydrophobicContact CG-CD2 4.35Å; L575-F579 HydrophobicContact CG-CE2 3.75Å; L575-F579 HydrophobicContact CG-CZ 4.38Å; L575-F579 VanDerWaalsContact O-CD2 3.28Å; L575-F579 WeakPolarHBondContact O-CD2 2.98Å; L575-F579 PolarHBondContact O-N 2.86Å; L575-F579 VanDerWaalsContact O-N 3.07Å; L575-F600 HydrophobicContact CB-CZ 4.34Å; L575-F600 HydrophobicContact CD2-CE2 3.9Å; L575-F600 HydrophobicContact CD2-CZ 4.06Å; L575-F600 HydrophobicContact CG-CE2 4.42Å; L575-F600 HydrophobicContact CG-CZ 4.05Å; L575-L622 HydrophobicContact CD1-CD2 4.16Å; L575-T625 HydrophobicContact CD1-CG2 4.48Å
576	W	98.2	Very high	97.4	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-60.4	-44.4	174.5	179.5	73.8	0	0	0	112.1	I220 E223 E572 L573 C578 F579 L580 L585 L586 C588 F600	I220-W576 HydrophobicContact CG2-CD2 4.11Å; I220-W576 HydrophobicContact CG2-CE3 4.14Å; I220-W576 HydrophobicContact CG2-CH2 3.8Å; I220-W576 HydrophobicContact CG2-CZ2 3.72Å; I220-W576 HydrophobicContact CG2-CZ3 4.01Å; I220-W576 WeakPolarHBondContact O-CZ2 3.43Å; E223-W576 HydrophobicContact CB-CH2 4.12Å; E223-W576 HydrophobicContact CG-CH2 4.08Å; E223-W576 HydrophobicContact CG-CZ3 4.49Å; E572-W576 WeakPolarHBondContact O-CB 3.49Å; E572-W576 PolarHBondContact O-N 3.08Å; L573-W576 HydrophobicContact CD2-CE3 4.29Å; L573-W576 PolarHBondContact O-N 3.43Å; W576-C578 PolarHBondContact O-N 2.97Å; W576-F579 PolarHBondContact O-N 3.49Å; W576-L580 HydrophobicContact CD2-CD1 4.2Å; W576-L580 HydrophobicContact CE3-CD1 4.12Å; W576-L580 HydrophobicContact CH2-CD1 3.65Å; W576-L580 HydrophobicContact CZ2-CD1 3.75Å; W576-L580 HydrophobicContact CZ3-CD1 3.84Å; W576-L580 PolarHBondContact O-N 3.17Å; W576-L585 HydrophobicContact CZ2-CD1 4.25Å; W576-L586 PolarHBondContact NE1-O 3.48Å; W576-C588 HydrophobicContact CB-CB 4.21Å; W576-C588 HydrophobicContact CG-CB 4.28Å; W576-F600 HydrophobicContact CB-CE1 3.94Å; W576-F600 HydrophobicContact CB-CZ 4.26Å; W576-F600 HydrophobicContact CG-CE1 4.46Å
577	R	97.3	Very high	97.6	Very high	119 Å²	119	42.1 Å²	42.1	45%	0.449	21%	0.207	S	C	.	.	H	α-helix	trans	-65.8	-25.5	171.3	-72.3	171.9	176.4	148.3	3.1	112.7	E223 L573 L575 R581	E223-R577 IonicContact OE1-NE 2.85Å; E223-R577 IonicContact OE1-NH2 2.75Å; E223-R577 IonicContact OE2-NH2 2.71Å; L573-R577 WeakPolarHBondContact O-CB 3.37Å; L573-R577 VanDerWaalsContact O-CG 3.3Å; L573-R577 WeakPolarHBondContact O-CG 3.47Å; L573-R577 PolarHBondContact O-N 3.43Å; L575-R577 PolarHBondContact O-N 2.65Å; R577-R581 WeakPolarHBondContact O-CG 3.37Å; R577-R581 PolarHBondContact O-N 3.43Å
578	C	97.8	Very high	97.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-47.8	170.9	-159.8	0	0	0	0	111.2	S574 L575 W576 L580 R581 H582	S574-C578 PolarHBondContact O-N 2.99Å; L575-C578 HydrophobicContact CD1-CB 4.46Å; L575-C578 WeakPolarHBondContact O-CA 3.29Å; L575-C578 WeakPolarHBondContact O-CB 3.32Å; L575-C578 PolarHBondContact O-N 3.37Å; W576-C578 PolarHBondContact O-N 2.97Å; C578-L580 VanDerWaalsContact C-N 3.32Å; C578-L580 PolarHBondContact O-N 3.3Å; C578-R581 PolarHBondContact O-N 2.71Å; C578-R581 PolarHBondContact SG-NH2 2.85Å; C578-H582 PolarHBondContact O-CD2 3.38Å; C578-H582 PolarHBondContact O-N 2.96Å
579	F	98.5	Very high	97.7	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.3	-42.2	175.2	-68.1	-57.5	0	0	0	112.6	L560 L575 W576 R581 H582 K583 V584 L586 F600 I618 A621 L622	L560-F579 HydrophobicContact CD1-CE2 3.74Å; L560-F579 HydrophobicContact CD1-CZ 3.67Å; L575-F579 HydrophobicContact CD1-CD2 4.47Å; L575-F579 HydrophobicContact CD1-CE2 3.87Å; L575-F579 HydrophobicContact CD1-CZ 4.06Å; L575-F579 HydrophobicContact CD2-CE2 4.35Å; L575-F579 HydrophobicContact CG-CD2 4.35Å; L575-F579 HydrophobicContact CG-CE2 3.75Å; L575-F579 HydrophobicContact CG-CZ 4.38Å; L575-F579 VanDerWaalsContact O-CD2 3.28Å; L575-F579 WeakPolarHBondContact O-CD2 2.98Å; L575-F579 PolarHBondContact O-N 2.86Å; L575-F579 VanDerWaalsContact O-N 3.07Å; W576-F579 PolarHBondContact O-N 3.49Å; F579-R581 PolarHBondContact O-N 3.47Å; F579-H582 CarbonylContact O-C 3.48Å; F579-H582 VanDerWaalsContact O-C 3.26Å; F579-H582 WeakPolarHBondContact O-CA 3.37Å; F579-H582 PolarHBondContact O-N 2.85Å; F579-H582 VanDerWaalsContact O-N 3.14Å; F579-K583 PolarHBondContact O-N 3.03Å; F579-K583 VanDerWaalsContact O-N 3.12Å; F579-V584 CarbonylContact C-O 3.45Å; F579-V584 HydrophobicContact CB-CG1 4.06Å; F579-V584 WeakPolarHBondContact CB-O 3.28Å; F579-V584 HydrophobicContact CD1-CG1 4.12Å; F579-V584 PolarHBondContact O-N 3.3Å; F579-L586 HydrophobicContact CD1-CD1 4.2Å; F579-L586 HydrophobicContact CD2-CD1 3.8Å; F579-L586 HydrophobicContact CD2-CG 4.45Å; F579-L586 HydrophobicContact CE1-CD1 4.21Å; F579-L586 HydrophobicContact CE2-CD1 3.78Å; F579-L586 HydrophobicContact CG-CD1 4.01Å; F579-L586 HydrophobicContact CG-CG 4.44Å; F579-L586 HydrophobicContact CZ-CD1 3.99Å; F579-F600 HydrophobicContact CD2-CE1 4.1Å; F579-F600 HydrophobicContact CE2-CD1 4.32Å; F579-F600 HydrophobicContact CE2-CE1 4.01Å; F579-F600 HydrophobicContact CE2-CZ 4.36Å; F579-I618 HydrophobicContact CD1-CG1 4.28Å; F579-I618 HydrophobicContact CE1-CB 4.22Å; F579-I618 HydrophobicContact CE1-CG1 4.19Å; F579-I618 HydrophobicContact CE1-CG2 3.93Å; F579-A621 HydrophobicContact CD1-CB 3.57Å; F579-A621 HydrophobicContact CE1-CB 3.8Å; F579-L622 HydrophobicContact CE1-CD2 4.13Å; F579-L622 HydrophobicContact CE1-CG 4.02Å; F579-L622 HydrophobicContact CZ-CD2 3.71Å; F579-L622 HydrophobicContact CZ-CG 4.06Å
580	L	97.6	Very high	97.7	Very high	13 Å²	13	36.3 Å²	36.3	7%	0.068	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-41.5	175	-71.8	173.6	0	0	0	113	I242 W576 C578 H582 K583 V584 L585	I242-L580 HydrophobicContact CD1-CD2 4.49Å; W576-L580 HydrophobicContact CD2-CD1 4.2Å; W576-L580 HydrophobicContact CE3-CD1 4.12Å; W576-L580 HydrophobicContact CH2-CD1 3.65Å; W576-L580 HydrophobicContact CZ2-CD1 3.75Å; W576-L580 HydrophobicContact CZ3-CD1 3.84Å; W576-L580 PolarHBondContact O-N 3.17Å; C578-L580 VanDerWaalsContact C-N 3.32Å; C578-L580 PolarHBondContact O-N 3.3Å; L580-H582 VanDerWaalsContact C-N 3.28Å; L580-H582 PolarHBondContact O-N 3.21Å; L580-K583 PolarHBondContact O-N 3.24Å; L580-V584 PolarHBondContact N-O 3.49Å; L580-L585 HydrophobicContact CD2-CB 4.1Å; L580-L585 HydrophobicContact CD2-CD1 3.9Å
581	R	97.2	Very high	97.7	Very high	129 Å²	129	29.5 Å²	29.5	49%	0.487	14%	0.137	S	C	.	.	H	α-helix	trans	-60.4	-38.3	172	-71	-171.2	-51.9	-92.2	5.6	112.2	R577 C578 F579 K583 E624	R577-R581 WeakPolarHBondContact O-CG 3.37Å; R577-R581 PolarHBondContact O-N 3.43Å; C578-R581 PolarHBondContact O-N 2.71Å; C578-R581 PolarHBondContact SG-NH2 2.85Å; F579-R581 PolarHBondContact O-N 3.47Å; R581-K583 PolarHBondContact O-N 3.39Å; R581-E624 IonicContact NH2-OE1 2.68Å; R581-E624 PolarHBondContact NH2-OE1 3.31Å; R581-E624 VanDerWaalsContact NH2-OE1 3.14Å
582	H	98.3	Very high	97.7	Very high	43 Å²	43	27.4 Å²	27.4	20%	0.199	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	14.3	172.8	-78.7	-92.6	0	0	0	113.7	C578 F579 L580 V584 R617 A621 E624	C578-H582 PolarHBondContact O-CD2 3.38Å; C578-H582 PolarHBondContact O-N 2.96Å; F579-H582 CarbonylContact O-C 3.48Å; F579-H582 VanDerWaalsContact O-C 3.26Å; F579-H582 WeakPolarHBondContact O-CA 3.37Å; F579-H582 PolarHBondContact O-N 2.85Å; F579-H582 VanDerWaalsContact O-N 3.14Å; L580-H582 VanDerWaalsContact C-N 3.28Å; L580-H582 PolarHBondContact O-N 3.21Å; H582-V584 VanDerWaalsContact C-N 3.33Å; H582-V584 PolarHBondContact O-N 3.01Å; H582-R617 WeakPolarHBondContact O-CB 3.32Å; H582-R617 VanDerWaalsContact O-CD 3.23Å; H582-R617 WeakPolarHBondContact O-CD 3.29Å; H582-R617 VanDerWaalsContact O-CG 3.29Å; H582-R617 WeakPolarHBondContact O-CG 3.16Å; H582-A621 HydrophobicContact CB-CB 3.86Å; H582-E624 IonicContact CD2-OE2 3.45Å; H582-E624 IonicContact CE1-OE2 3.93Å; H582-E624 IonicContact NE2-OE2 3.91Å; H582-E624 PolarHBondContact NE2-OE2 2.83Å
583	K	98.3	Very high	97.6	Very high	74 Å²	74	29 Å²	29	32%	0.322	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	39	172.4	-53.3	-71.3	-163.4	173.6	0	113.4	D231 D240 I242 V243 F579 L580 R581 R617	D231-K583 IonicContact OD2-NZ 2.78Å; D231-K583 PolarHBondContact OD2-NZ 3.42Å; D240-K583 WeakPolarHBondContact O-CD 3.44Å; D240-K583 WeakPolarHBondContact O-CE 3.19Å; D240-K583 WeakPolarHBondContact O-CG 3.35Å; I242-K583 WeakPolarHBondContact CA-O 3.21Å; I242-K583 HydrophobicContact CG1-CD 4Å; V243-K583 PolarHBondContact N-O 2.86Å; F579-K583 PolarHBondContact O-N 3.03Å; F579-K583 VanDerWaalsContact O-N 3.12Å; L580-K583 PolarHBondContact O-N 3.24Å; R581-K583 PolarHBondContact O-N 3.39Å; K583-R617 WeakPolarHBondContact O-CD 3.41Å; K583-R617 PolarHBondContact O-NH1 2.88Å
584	V	98.4	Very high	97.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	121.4	169.2	59.4	0	0	0	0	110.7	V243 L245 F579 L580 H582 R617 I618	V243-V584 CarbonylContact O-C 3.4Å; V243-V584 WeakPolarHBondContact O-CA 3.25Å; L245-V584 HydrophobicContact CD1-CG2 4.33Å; L245-V584 HydrophobicContact CG-CG2 4.38Å; F579-V584 CarbonylContact C-O 3.45Å; F579-V584 HydrophobicContact CB-CG1 4.06Å; F579-V584 WeakPolarHBondContact CB-O 3.28Å; F579-V584 HydrophobicContact CD1-CG1 4.12Å; F579-V584 PolarHBondContact O-N 3.3Å; L580-V584 PolarHBondContact N-O 3.49Å; H582-V584 VanDerWaalsContact C-N 3.33Å; H582-V584 PolarHBondContact O-N 3.01Å; V584-R617 HydrophobicContact CB-CB 4.06Å; V584-R617 HydrophobicContact CG1-CB 3.84Å; V584-I618 HydrophobicContact CG1-CG1 4.01Å; V584-I618 HydrophobicContact CG2-CD1 4.41Å; V584-I618 HydrophobicContact CG2-CG1 4.18Å
585	L	98.5	Very high	97.5	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.026	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.2	174	170.2	65.7	0	0	0	109.2	Y228 I242 V243 L245 G246 W576 L580	Y228-L585 HydrophobicContact CG-CD2 4.42Å; I242-L585 HydrophobicContact CG2-CB 3.88Å; V243-L585 PolarHBondContact O-N 2.72Å; L245-L585 CarbonylContact C-O 3.26Å; L245-L585 VanDerWaalsContact C-O 3.22Å; L245-L585 WeakPolarHBondContact CA-O 3.46Å; L245-L585 PolarHBondContact N-O 2.86Å; G246-L585 PolarHBondContact N-O 2.89Å; W576-L585 HydrophobicContact CZ2-CD1 4.25Å; L580-L585 HydrophobicContact CD2-CB 4.1Å; L580-L585 HydrophobicContact CD2-CD1 3.9Å
586	L	98.1	Very high	97.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.138	C	C	.	.			trans	-114.8	-178.1	165.2	-64.8	-173	0	0	0	110	L245 W576 F579 F600 I602 I618	L245-L586 HydrophobicContact CB-CD2 3.9Å; W576-L586 PolarHBondContact NE1-O 3.48Å; F579-L586 HydrophobicContact CD1-CD1 4.2Å; F579-L586 HydrophobicContact CD2-CD1 3.8Å; F579-L586 HydrophobicContact CD2-CG 4.45Å; F579-L586 HydrophobicContact CE1-CD1 4.21Å; F579-L586 HydrophobicContact CE2-CD1 3.78Å; F579-L586 HydrophobicContact CG-CD1 4.01Å; F579-L586 HydrophobicContact CG-CG 4.44Å; F579-L586 HydrophobicContact CZ-CD1 3.99Å; L586-F600 HydrophobicContact CB-CD1 4.2Å; L586-F600 HydrophobicContact CD1-CD1 4.42Å; L586-I602 HydrophobicContact CD1-CD1 4.44Å; L586-I602 HydrophobicContact CD1-CG1 4.2Å; L586-I602 HydrophobicContact CD2-CB 4.32Å; L586-I602 HydrophobicContact CD2-CG1 4.03Å; L586-I602 HydrophobicContact CD2-CG2 3.98Å; L586-I618 HydrophobicContact CD1-CD1 4.19Å; L586-I618 HydrophobicContact CD1-CG1 4.23Å; L586-I618 HydrophobicContact CD2-CD1 4.07Å
587	S	97.9	Very high	97.4	Very high	5 Å²	5	29.1 Å²	29.1	4%	0.035	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124.9	172.8	-51.9	0	0	0	0	110.5	G246 F600 R601	G246-S587 WeakPolarHBondContact CA-OG 3.33Å; G246-S587 PolarHBondContact O-OG 3.3Å; S587-F600 CarbonylContact O-C 3.54Å; S587-F600 WeakPolarHBondContact O-CA 3.49Å; S587-R601 PolarHBondContact N-O 2.86Å; S587-R601 PolarHBondContact O-N 3.32Å
588	C	97.7	Very high	97.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	164.3	-170.9	72.6	0	0	0	0	113.5	E572 W576 Q590 A591 F592 W599 F600	E572-C588 HydrophobicContact CG-CB 3.84Å; E572-C588 VanDerWaalsContact OE1-CB 3.23Å; E572-C588 WeakPolarHBondContact OE1-CB 3.4Å; E572-C588 PolarHBondContact OE1-SG 2.63Å; W576-C588 HydrophobicContact CB-CB 4.21Å; W576-C588 HydrophobicContact CG-CB 4.28Å; C588-Q590 VanDerWaalsContact C-N 3.34Å; C588-Q590 PolarHBondContact O-N 2.97Å; C588-A591 VanDerWaalsContact O-CB 3.28Å; C588-A591 WeakPolarHBondContact O-CB 3.12Å; C588-A591 PolarHBondContact O-N 2.93Å; C588-F592 WeakPolarHBondContact O-CD2 3.46Å; C588-W599 CarbonylContact C-O 3.57Å; C588-F600 HydrophobicContact CB-CD1 3.83Å; C588-F600 HydrophobicContact CB-CE1 3.43Å; C588-F600 VanDerWaalsContact CB-CE1 3.43Å; C588-F600 HydrophobicContact CB-CE2 4.34Å; C588-F600 HydrophobicContact CB-CG 4.45Å; C588-F600 HydrophobicContact CB-CZ 3.71Å
589	G	97.6	Very high	97.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-53.6	-43.7	-173.6	0	0	0	0	0	114.5	E572 A591 F592 S593 C594 W599	E572-G589 PolarHBondContact OE1-N 2.81Å; E572-G589 WeakPolarHBondContact OE2-CA 3.47Å; E572-G589 PolarHBondContact OE2-N 3.29Å; G589-A591 PolarHBondContact O-N 3.4Å; G589-F592 PolarHBondContact O-N 3.02Å; G589-S593 PolarHBondContact O-N 2.98Å; G589-C594 WeakPolarHBondContact O-CB 3.29Å; G589-C594 PolarHBondContact O-N 3.11Å; G589-W599 WeakPolarHBondContact CA-O 3.28Å; G589-W599 PolarHBondContact N-O 3.07Å
590	Q	96.6	Very high	97.4	Very high	74 Å²	74	23.6 Å²	23.6	35%	0.346	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-57.3	-34.3	177.3	-163.9	178.7	11.5	0	0	112.3	I220 F569 E572 C588 F592 S593	I220-Q590 HydrophobicContact CD1-CB 3.95Å; I220-Q590 HydrophobicContact CD1-CG 3.95Å; F569-Q590 HydrophobicContact CB-CG 4.47Å; F569-Q590 HydrophobicContact CD1-CB 3.7Å; F569-Q590 HydrophobicContact CD1-CG 3.94Å; F569-Q590 HydrophobicContact CE1-CB 4.19Å; F569-Q590 HydrophobicContact CE1-CG 4.46Å; F569-Q590 HydrophobicContact CG-CB 4.43Å; F569-Q590 HydrophobicContact CG-CG 4.24Å; E572-Q590 WeakPolarHBondContact OE1-CB 3.4Å; E572-Q590 PolarHBondContact OE1-N 3.38Å; C588-Q590 VanDerWaalsContact C-N 3.34Å; C588-Q590 PolarHBondContact O-N 2.97Å; Q590-F592 PolarHBondContact O-N 3.27Å; Q590-S593 PolarHBondContact O-N 3.42Å
591	A	96.4	Very high	97.5	Very high	12 Å²	12	23.4 Å²	23.4	10%	0.099	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-74.1	-1.4	179.4	0	0	0	0	0	114.2	I220 L221 C588 G589	I220-A591 HydrophobicContact CB-CB 3.91Å; I220-A591 HydrophobicContact CD1-CB 4.18Å; I220-A591 HydrophobicContact CG2-CB 4.12Å; L221-A591 HydrophobicContact CD2-CB 3.63Å; L221-A591 HydrophobicContact CG-CB 3.94Å; C588-A591 VanDerWaalsContact O-CB 3.28Å; C588-A591 WeakPolarHBondContact O-CB 3.12Å; C588-A591 PolarHBondContact O-N 2.93Å; G589-A591 PolarHBondContact O-N 3.4Å
592	F	97.4	Very high	97.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-122.6	16.1	173.1	-63.4	-97	0	0	0	112	L221 P337 F338 Y339 P403 W557 C588 G589 Q590 C594 R601	L221-F592 HydrophobicContact CD2-CE2 4.31Å; L221-F592 HydrophobicContact CD2-CZ 4.42Å; P337-F592 CarbonylContact C-O 3.56Å; P337-F592 WeakPolarHBondContact CA-O 3.41Å; P337-F592 HydrophobicContact CB-CB 3.87Å; P337-F592 WeakPolarHBondContact CB-O 3.3Å; F338-F592 PolarHBondContact N-O 3.22Å; F338-F592 CarbonylContact O-C 3.59Å; F338-F592 WeakPolarHBondContact O-CA 3.41Å; F338-F592 WeakPolarHBondContact O-CB 3.44Å; F338-F592 WeakPolarHBondContact O-CD1 3.42Å; Y339-F592 HydrophobicContact CD2-CE1 4.39Å; P403-F592 HydrophobicContact CB-CD1 3.77Å; P403-F592 HydrophobicContact CB-CE1 3.87Å; P403-F592 HydrophobicContact CB-CG 4.3Å; P403-F592 HydrophobicContact CB-CZ 4.46Å; P403-F592 HydrophobicContact CG-CB 4.21Å; P403-F592 HydrophobicContact CG-CD1 3.74Å; P403-F592 HydrophobicContact CG-CE1 4.36Å; P403-F592 HydrophobicContact CG-CG 3.97Å; W557-F592 HydrophobicContact CH2-CB 4.09Å; W557-F592 AromaticContact CH2-CD2 3.9Å; W557-F592 HydrophobicContact CH2-CD2 3.9Å; W557-F592 HydrophobicContact CH2-CG 4.1Å; W557-F592 AromaticContact CZ3-CD2 3.89Å; W557-F592 HydrophobicContact CZ3-CD2 3.89Å; W557-F592 HydrophobicContact CZ3-CE2 4.23Å; W557-F592 HydrophobicContact CZ3-CG 4.25Å; C588-F592 WeakPolarHBondContact O-CD2 3.46Å; G589-F592 PolarHBondContact O-N 3.02Å; Q590-F592 PolarHBondContact O-N 3.27Å; F592-C594 PolarHBondContact O-N 3.23Å; F592-R601 HydrophobicContact CE2-CB 4.16Å; F592-R601 HydrophobicContact CZ-CB 4.09Å; F592-R601 VanDerWaalsContact CZ-CZ 3.48Å
593	S	96.7	Very high	97.6	Very high	35 Å²	35	15.4 Å²	15.4	25%	0.245	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	31.3	-173.2	-58.9	0	0	0	0	113.8	T336 H356 G589 Q590 S595	T336-S593 WeakPolarHBondContact CB-O 2.95Å; T336-S593 PolarHBondContact OG1-O 2.89Å; H356-S593 PolarHBondContact CE1-OG 2.9Å; H356-S593 VanDerWaalsContact CE1-OG 3.31Å; G589-S593 PolarHBondContact O-N 2.98Å; Q590-S593 PolarHBondContact O-N 3.42Å; S593-S595 PolarHBondContact O-N 3.48Å
594	C	97.2	Very high	97.6	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.034	7%	0.072	C	C	.	.			trans	-62.6	131.8	174	-166.8	0	0	0	0	110.1	P337 W557 F569 G589 F592 T596	P337-C594 HydrophobicContact CB-CB 3.97Å; W557-C594 HydrophobicContact CZ2-CB 4.23Å; F569-C594 VanDerWaalsContact CZ-O 3.29Å; F569-C594 WeakPolarHBondContact CZ-O 3.26Å; G589-C594 WeakPolarHBondContact O-CB 3.29Å; G589-C594 PolarHBondContact O-N 3.11Å; F592-C594 PolarHBondContact O-N 3.23Å; C594-T596 VanDerWaalsContact C-N 3.31Å; C594-T596 PolarHBondContact SG-O 3.34Å
595	S	94.8	Very high	97.5	Very high	57 Å²	57	12 Å²	12	40%	0.399	7%	0.072	S	C	.	.	S	Bend	trans	-66.9	-31.9	177.2	47.1	0	0	0	0	112.8	L359 S593	L359-S595 PolarHBondContact O-OG 2.91Å; S593-S595 PolarHBondContact O-N 3.48Å
596	T	95.7	Very high	97.4	Very high	28 Å²	28	12.6 Å²	12.6	17%	0.172	8%	0.076	C	C	.	.	S	Bend	trans	-107.9	125.1	-178.3	-53.3	0	0	0	0	110.9	C361 C594	C361-T596 PolarHBondContact SG-OG1 3.42Å; C594-T596 VanDerWaalsContact C-N 3.31Å; C594-T596 PolarHBondContact SG-O 3.34Å
597	P	97.4	Very high	97.2	Very high	11 Å²	11	16.5 Å²	16.5	7%	0.071	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	156.7	176	29.3	-34.5	0	0	0	112.1	R561 L564 S567 S568 F569 E572	R561-P597 VanDerWaalsContact CG-O 3.28Å; R561-P597 WeakPolarHBondContact CG-O 3.42Å; L564-P597 HydrophobicContact CD1-CB 4.41Å; S567-P597 WeakPolarHBondContact OG-CG 3.34Å; S568-P597 WeakPolarHBondContact O-CB 3.44Å; F569-P597 HydrophobicContact CD1-CB 3.66Å; F569-P597 HydrophobicContact CE1-CB 3.8Å; F569-P597 HydrophobicContact CG-CB 4.19Å; F569-P597 HydrophobicContact CZ-CB 4.42Å; E572-P597 HydrophobicContact CB-CB 4.34Å; E572-P597 VanDerWaalsContact OE2-CA 3.32Å; E572-P597 WeakPolarHBondContact OE2-CA 3.44Å
598	G	97.2	Very high	97	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.3	1.1	174.1	0	0	0	0	0	115.1	L560 R561 E572	L560-G598 CarbonylContact C-O 3.51Å; L560-G598 WeakPolarHBondContact CA-O 3.39Å; L560-G598 WeakPolarHBondContact CB-O 3.42Å; L560-G598 PolarHBondContact N-O 3.43Å; R561-G598 PolarHBondContact N-O 2.95Å; E572-G598 PolarHBondContact OE2-N 2.94Å
599	W	98.3	Very high	96.8	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.015	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	146.4	171.7	-71.9	89.3	0	0	0	111.2	C361 F371 L548 W557 A558 D559 C588 G589	C361-W599 HydrophobicContact CB-CZ2 4.32Å; F371-W599 AromaticContact CE2-CD2 3.93Å; F371-W599 HydrophobicContact CE2-CD2 3.93Å; F371-W599 AromaticContact CE2-CE2 3.71Å; F371-W599 HydrophobicContact CE2-CE3 4.15Å; F371-W599 AromaticContact CE2-CH2 3.96Å; F371-W599 HydrophobicContact CE2-CH2 3.96Å; F371-W599 AromaticContact CE2-CZ2 3.73Å; F371-W599 HydrophobicContact CE2-CZ2 3.73Å; F371-W599 HydrophobicContact CE2-CZ3 4.16Å; F371-W599 AromaticContact CZ-CD2 3.92Å; F371-W599 HydrophobicContact CZ-CD2 3.92Å; F371-W599 AromaticContact CZ-CE2 3.69Å; F371-W599 HydrophobicContact CZ-CG 4.12Å; F371-W599 HydrophobicContact CZ-CZ2 4.13Å; F371-W599 AromaticContact CZ-NE1 3.74Å; L548-W599 HydrophobicContact CD2-CH2 4.49Å; L548-W599 HydrophobicContact CD2-CZ3 4.5Å; L548-W599 HydrophobicContact CG-CZ3 4.43Å; W557-W599 AromaticContact CD1-CD2 3.99Å; W557-W599 AromaticContact CD1-CE3 3.26Å; W557-W599 AromaticContact CD1-CZ3 3.66Å; W557-W599 HydrophobicContact CD2-CB 4.4Å; W557-W599 HydrophobicContact CD2-CE3 4.44Å; W557-W599 AromaticContact CG-CE3 3.96Å; W557-W599 HydrophobicContact CG-CE3 3.96Å; W557-W599 HydrophobicContact CG-CZ3 4.45Å; W557-W599 HydrophobicContact CH2-CB 4.27Å; W557-W599 HydrophobicContact CZ2-CB 3.59Å; W557-W599 HydrophobicContact CZ2-CG 4.41Å; W557-W599 AromaticContact NE1-CD2 3.64Å; W557-W599 AromaticContact NE1-CE3 3.41Å; W557-W599 AromaticContact NE1-CG 3.84Å; A558-W599 CarbonylContact O-C 3.08Å; A558-W599 WeakPolarHBondContact O-CA 3.18Å; D559-W599 HydrophobicContact CB-CD2 4.41Å; D559-W599 HydrophobicContact CB-CE3 4.14Å; D559-W599 HydrophobicContact CB-CH2 3.93Å; D559-W599 HydrophobicContact CB-CZ2 4.19Å; D559-W599 HydrophobicContact CB-CZ3 3.9Å; C588-W599 CarbonylContact C-O 3.57Å; G589-W599 WeakPolarHBondContact CA-O 3.28Å; G589-W599 PolarHBondContact N-O 3.07Å
600	F	98.6	Very high	96.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	138	-178	-77.5	-105.8	0	0	0	112	A558 L560 E572 L575 W576 F579 L586 S587 C588	A558-F600 PolarHBondContact N-O 3.12Å; A558-F600 PolarHBondContact O-N 3.4Å; L560-F600 HydrophobicContact CB-CD2 3.98Å; L560-F600 HydrophobicContact CB-CE2 4.26Å; L560-F600 HydrophobicContact CD1-CB 4.18Å; L560-F600 HydrophobicContact CD1-CD1 4.47Å; L560-F600 HydrophobicContact CD1-CD2 3.62Å; L560-F600 HydrophobicContact CD1-CE2 4.1Å; L560-F600 HydrophobicContact CD1-CG 3.85Å; L560-F600 HydrophobicContact CG-CD2 3.99Å; L560-F600 HydrophobicContact CG-CG 4.5Å; E572-F600 HydrophobicContact CG-CE2 3.79Å; E572-F600 HydrophobicContact CG-CZ 3.84Å; L575-F600 HydrophobicContact CB-CZ 4.34Å; L575-F600 HydrophobicContact CD2-CE2 3.9Å; L575-F600 HydrophobicContact CD2-CZ 4.06Å; L575-F600 HydrophobicContact CG-CE2 4.42Å; L575-F600 HydrophobicContact CG-CZ 4.05Å; W576-F600 HydrophobicContact CB-CE1 3.94Å; W576-F600 HydrophobicContact CB-CZ 4.26Å; W576-F600 HydrophobicContact CG-CE1 4.46Å; F579-F600 HydrophobicContact CD2-CE1 4.1Å; F579-F600 HydrophobicContact CE2-CD1 4.32Å; F579-F600 HydrophobicContact CE2-CE1 4.01Å; F579-F600 HydrophobicContact CE2-CZ 4.36Å; L586-F600 HydrophobicContact CB-CD1 4.2Å; L586-F600 HydrophobicContact CD1-CD1 4.42Å; S587-F600 CarbonylContact O-C 3.54Å; S587-F600 WeakPolarHBondContact O-CA 3.49Å; C588-F600 HydrophobicContact CB-CD1 3.83Å; C588-F600 HydrophobicContact CB-CE1 3.43Å; C588-F600 VanDerWaalsContact CB-CE1 3.43Å; C588-F600 HydrophobicContact CB-CE2 4.34Å; C588-F600 HydrophobicContact CB-CG 4.45Å; C588-F600 HydrophobicContact CB-CZ 3.71Å
601	R	98.6	Very high	96.8	Very high	8 Å²	8	23.4 Å²	23.4	3%	0.03	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.5	167.5	-166.8	178.7	73.9	-172.4	-7.5	109.7	G246 N402 P403 Y555 V556 W557 S587 F592	G246-R601 PolarHBondContact O-NH2 3.26Å; N402-R601 PolarHBondContact OD1-NH1 3.19Å; P403-R601 HydrophobicContact CB-CB 4.36Å; P403-R601 HydrophobicContact CB-CG 4.25Å; Y555-R601 HydrophobicContact CD1-CG 4.36Å; Y555-R601 HydrophobicContact CD2-CG 4.04Å; Y555-R601 HydrophobicContact CG-CG 3.73Å; V556-R601 WeakPolarHBondContact O-CA 3.46Å; W557-R601 HydrophobicContact CE3-CB 3.86Å; W557-R601 HydrophobicContact CZ3-CB 3.87Å; S587-R601 PolarHBondContact N-O 2.86Å; S587-R601 PolarHBondContact O-N 3.32Å; F592-R601 HydrophobicContact CE2-CB 4.16Å; F592-R601 HydrophobicContact CZ-CB 4.09Å; F592-R601 VanDerWaalsContact CZ-CZ 3.48Å
602	I	98.6	Very high	96.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	114.2	174.5	-49.9	177.9	0	0	0	108.3	L245 L536 L540 Y555 V556 A558 L586 I618	L245-I602 HydrophobicContact CB-CG2 4.46Å; L245-I602 HydrophobicContact CD1-CG2 4.49Å; L536-I602 HydrophobicContact CD1-CG2 3.94Å; L536-I602 HydrophobicContact CD2-CB 4.12Å; L536-I602 HydrophobicContact CD2-CG2 3.8Å; L540-I602 HydrophobicContact CD2-CD1 4.11Å; Y555-I602 CarbonylContact C-O 3.58Å; Y555-I602 WeakPolarHBondContact CA-O 3.36Å; Y555-I602 VanDerWaalsContact CB-O 3.32Å; Y555-I602 WeakPolarHBondContact CB-O 3.45Å; V556-I602 HydrophobicContact CG2-CB 4.29Å; V556-I602 PolarHBondContact N-O 3.5Å; V556-I602 PolarHBondContact O-N 3.02Å; A558-I602 HydrophobicContact CB-CD1 4.02Å; L586-I602 HydrophobicContact CD1-CD1 4.44Å; L586-I602 HydrophobicContact CD1-CG1 4.2Å; L586-I602 HydrophobicContact CD2-CB 4.32Å; L586-I602 HydrophobicContact CD2-CG1 4.03Å; L586-I602 HydrophobicContact CD2-CG2 3.98Å; I602-I618 HydrophobicContact CG2-CD1 4.39Å
603	V	98.6	Very high	96.9	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.024	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.6	178.2	179.7	0	0	0	0	109.3	L245 L554	L245-V603 VanDerWaalsContact O-CB 3.32Å; L245-V603 WeakPolarHBondContact O-CB 3.24Å; L245-V603 WeakPolarHBondContact O-CG2 3.42Å; L245-V603 PolarHBondContact O-N 3.36Å; L554-V603 WeakPolarHBondContact O-CA 3.43Å; L554-V603 WeakPolarHBondContact O-CG1 3.44Å
604	F	98.3	Very high	96.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.			trans	-104.9	-11.6	177.5	58.4	-103.1	0	0	0	113.7	F438 L529 A532 H533 L536 L554 V556 D606 L611	F438-F604 HydrophobicContact CE1-CE2 4.32Å; F438-F604 AromaticContact CE1-CZ 3.68Å; F438-F604 HydrophobicContact CE1-CZ 3.68Å; F438-F604 AromaticContact CZ-CZ 3.98Å; F438-F604 HydrophobicContact CZ-CZ 3.98Å; L529-F604 HydrophobicContact CB-CE2 4.26Å; L529-F604 HydrophobicContact CD2-CE2 3.72Å; L529-F604 WeakPolarHBondContact O-CE2 3.28Å; A532-F604 HydrophobicContact CB-CB 4.36Å; A532-F604 HydrophobicContact CB-CD2 3.79Å; A532-F604 WeakPolarHBondContact CB-O 3.33Å; H533-F604 HydrophobicContact CB-CD1 4.33Å; H533-F604 HydrophobicContact CB-CD2 4.25Å; H533-F604 HydrophobicContact CB-CE1 4.06Å; H533-F604 HydrophobicContact CB-CE2 3.99Å; H533-F604 HydrophobicContact CB-CG 4.42Å; H533-F604 HydrophobicContact CB-CZ 3.91Å; H533-F604 AromaticContact CD2-CE1 3.62Å; L536-F604 HydrophobicContact CB-CB 4.16Å; L536-F604 HydrophobicContact CD2-CB 3.79Å; L536-F604 HydrophobicContact CD2-CD1 4.15Å; L536-F604 HydrophobicContact CD2-CG 4.47Å; L554-F604 PolarHBondContact O-N 2.85Å; V556-F604 HydrophobicContact CG1-CD1 4.35Å; V556-F604 HydrophobicContact CG1-CE1 4.42Å; F604-D606 PolarHBondContact O-N 3.31Å; F604-L611 HydrophobicContact CB-CD2 4.2Å
605	A	97.8	Very high	97	Very high	1 Å²	1	28 Å²	28	1%	0.008	15%	0.148	C	C	.	.			trans	-77.9	43.9	-171.5	0	0	0	0	0	114.8	N250 K251 L252 L529 L554	N250-A605 HydrophobicContact CB-CB 4.34Å; K251-A605 PolarHBondContact N-O 3.04Å; L252-A605 HydrophobicContact CD1-CB 4.08Å; L252-A605 HydrophobicContact CG-CB 4.39Å; L529-A605 HydrophobicContact CD2-CB 3.91Å; L554-A605 HydrophobicContact CB-CB 3.89Å; L554-A605 HydrophobicContact CD2-CB 3.83Å; L554-A605 HydrophobicContact CG-CB 4.32Å
606	D	95.7	Very high	97.1	Very high	19 Å²	19	30.2 Å²	30.2	10%	0.102	15%	0.15	C	C	.	.	S	Bend	trans	-118.1	167.2	173.8	-147.5	-34.1	0	0	0	110.7	K251 L252 F604	K251-D606 HydrophobicContact CD-CB 4.32Å; K251-D606 VanDerWaalsContact CD-CG 3.45Å; K251-D606 VanDerWaalsContact CD-OD2 3.25Å; K251-D606 WeakPolarHBondContact CD-OD2 3.32Å; K251-D606 IonicContact NZ-OD2 2.74Å; K251-D606 PolarHBondContact NZ-OD2 3.21Å; L252-D606 VanDerWaalsContact CD2-O 3.26Å; L252-D606 WeakPolarHBondContact CD2-O 3.21Å; F604-D606 PolarHBondContact O-N 3.31Å
607	Q	94.1	Very high	97.2	Very high	82 Å²	82	29.9 Å²	29.9	38%	0.383	15%	0.146	S	C	.	.			trans	-62	145.2	-178.7	-66	-63	-29.2	0	0	111.8	K251 L252 P609 Q610 L611	K251-Q607 PolarHBondContact O-NE2 2.85Å; L252-Q607 PolarHBondContact O-NE2 2.91Å; Q607-P609 VanDerWaalsContact C-CD 3.49Å; Q607-Q610 WeakPolarHBondContact O-CB 3.42Å; Q607-Q610 PolarHBondContact O-N 2.9Å; Q607-L611 PolarHBondContact O-N 2.77Å
608	Q	93.6	Very high	97.3	Very high	119 Å²	119	29.5 Å²	29.5	56%	0.556	14%	0.143	S	C	*	.	H	α-helix	trans	-53.8	-43.1	-168.7	-172.9	176.8	13.4	0	0	114.6	L535 Q610 L611 Q612	L535-Q608 HydrophobicContact CD2-CG 3.98Å; Q608-Q610 PolarHBondContact O-N 3.39Å; Q608-L611 PolarHBondContact O-N 3.47Å; Q608-Q612 HydrophobicContact CG-CG 4.42Å; Q608-Q612 WeakPolarHBondContact O-CB 3.42Å; Q608-Q612 VanDerWaalsContact O-CG 3.27Å; Q608-Q612 WeakPolarHBondContact O-CG 3.22Å; Q608-Q612 PolarHBondContact O-N 3.34Å
609	P	94.8	Very high	97.3	Very high	69 Å²	69	32.8 Å²	32.8	45%	0.448	16%	0.159	S	C	.	.	H	α-helix	trans	-64.7	-37.6	178.1	-20.8	34.1	0	0	0	112.9	Q607 Q612 L613	Q607-P609 VanDerWaalsContact C-CD 3.49Å; P609-Q612 PolarHBondContact O-N 3.34Å; P609-L613 WeakPolarHBondContact O-CB 3.48Å; P609-L613 PolarHBondContact O-N 3.49Å
610	Q	95.5	Very high	97.3	Very high	36 Å²	36	36.3 Å²	36.3	17%	0.168	18%	0.175	C	C	.	.	H	α-helix	trans	-68.1	-43.8	177.5	-79.2	68.7	15.1	0	0	111.1	Q607 Q608 Q612 L613 G614	Q607-Q610 WeakPolarHBondContact O-CB 3.42Å; Q607-Q610 PolarHBondContact O-N 2.9Å; Q608-Q610 PolarHBondContact O-N 3.39Å; Q610-Q612 VanDerWaalsContact C-N 3.35Å; Q610-Q612 PolarHBondContact O-N 2.9Å; Q610-L613 PolarHBondContact O-N 3.42Å; Q610-G614 PolarHBondContact O-N 2.98Å
611	L	97.2	Very high	97.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-41.8	173.6	179.8	56.7	0	0	0	111.4	L245 A532 L535 F604 Q607 Q608 G614 L615	L245-L611 HydrophobicContact CD1-CD1 4.07Å; L245-L611 HydrophobicContact CD2-CD1 4.25Å; A532-L611 HydrophobicContact CB-CD2 4.14Å; L535-L611 HydrophobicContact CD2-CD2 4.08Å; L535-L611 HydrophobicContact CD2-CG 4.41Å; L535-L611 HydrophobicContact CG-CD2 4.43Å; F604-L611 HydrophobicContact CB-CD2 4.2Å; Q607-L611 PolarHBondContact O-N 2.77Å; Q608-L611 PolarHBondContact O-N 3.47Å; L611-G614 PolarHBondContact O-N 3.13Å; L611-L615 HydrophobicContact CD1-CD1 4.16Å; L611-L615 HydrophobicContact CD1-CG 4.31Å; L611-L615 HydrophobicContact CG-CD1 4.03Å; L611-L615 VanDerWaalsContact O-CB 3.32Å; L611-L615 WeakPolarHBondContact O-CB 3.4Å; L611-L615 VanDerWaalsContact O-CG 3.28Å; L611-L615 WeakPolarHBondContact O-CG 3.39Å; L611-L615 PolarHBondContact O-N 2.92Å
612	Q	97.4	Very high	97.1	Very high	95 Å²	95	36.1 Å²	36.1	44%	0.444	18%	0.175	S	C	.	.	H	α-helix	trans	-64	-41.9	175.3	-74.4	174.7	-39.9	0	0	112.9	L535 Q608 P609 Q610 L615 K616	L535-Q612 HydrophobicContact CD2-CG 4.06Å; Q608-Q612 HydrophobicContact CG-CG 4.42Å; Q608-Q612 WeakPolarHBondContact O-CB 3.42Å; Q608-Q612 VanDerWaalsContact O-CG 3.27Å; Q608-Q612 WeakPolarHBondContact O-CG 3.22Å; Q608-Q612 PolarHBondContact O-N 3.34Å; P609-Q612 PolarHBondContact O-N 3.34Å; Q610-Q612 VanDerWaalsContact C-N 3.35Å; Q610-Q612 PolarHBondContact O-N 2.9Å; Q612-L615 PolarHBondContact O-N 2.96Å; Q612-K616 PolarHBondContact O-N 3.43Å
613	L	97.9	Very high	97	Very high	46 Å²	46	41.7 Å²	41.7	24%	0.241	20%	0.199	C	C	.	.	H	α-helix	trans	-65.9	-42.9	176.4	179.7	59.5	0	0	0	111.9	H233 V243 P609 Q610 K616 R617	H233-L613 WeakPolarHBondContact CE1-CD2 3.37Å; V243-L613 HydrophobicContact CG2-CD2 3.83Å; V243-L613 HydrophobicContact CG2-CG 4.05Å; P609-L613 WeakPolarHBondContact O-CB 3.48Å; P609-L613 PolarHBondContact O-N 3.49Å; Q610-L613 PolarHBondContact O-N 3.42Å; L613-K616 PolarHBondContact O-N 2.89Å; L613-R617 WeakPolarHBondContact O-CG 3.4Å; L613-R617 PolarHBondContact O-N 2.63Å
614	G	98.1	Very high	96.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.3	-43.7	174.2	0	0	0	0	0	112.2	Q610 L611 K616 R617 I618	Q610-G614 PolarHBondContact O-N 2.98Å; L611-G614 PolarHBondContact O-N 3.13Å; G614-K616 PolarHBondContact O-N 3.39Å; G614-R617 PolarHBondContact O-N 2.98Å; G614-I618 VanDerWaalsContact O-CG1 3.27Å; G614-I618 WeakPolarHBondContact O-CG1 3.3Å; G614-I618 PolarHBondContact O-N 3.37Å
615	L	98.1	Very high	96.4	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-44.5	174.5	-81.5	166.9	0	0	0	112.7	L535 L536 E539 L611 Q612 R617 I618 Q619	L535-L615 HydrophobicContact CG-CD1 4.31Å; L536-L615 HydrophobicContact CD1-CD2 3.64Å; E539-L615 HydrophobicContact CB-CD1 4.4Å; E539-L615 HydrophobicContact CB-CD2 4.06Å; E539-L615 HydrophobicContact CG-CD1 4.1Å; L611-L615 HydrophobicContact CD1-CD1 4.16Å; L611-L615 HydrophobicContact CD1-CG 4.31Å; L611-L615 HydrophobicContact CG-CD1 4.03Å; L611-L615 VanDerWaalsContact O-CB 3.32Å; L611-L615 WeakPolarHBondContact O-CB 3.4Å; L611-L615 VanDerWaalsContact O-CG 3.28Å; L611-L615 WeakPolarHBondContact O-CG 3.39Å; L611-L615 PolarHBondContact O-N 2.92Å; Q612-L615 PolarHBondContact O-N 2.96Å; L615-R617 PolarHBondContact O-N 2.66Å; L615-I618 WeakPolarHBondContact O-CB 3.46Å; L615-I618 PolarHBondContact O-N 3.07Å; L615-Q619 WeakPolarHBondContact O-CG 3.36Å; L615-Q619 PolarHBondContact O-N 3.4Å
616	K	98.1	Very high	95.9	Very high	104 Å²	104	49.5 Å²	49.5	45%	0.452	24%	0.235	S	C	.	.	H	α-helix	trans	-58.6	-46.2	174.6	-177.9	-177.8	172.2	-74	0	111.5	Q612 L613 G614 I618 Q619 E620	Q612-K616 PolarHBondContact O-N 3.43Å; L613-K616 PolarHBondContact O-N 2.89Å; G614-K616 PolarHBondContact O-N 3.39Å; K616-I618 PolarHBondContact O-N 2.69Å; K616-Q619 WeakPolarHBondContact O-CB 3.41Å; K616-Q619 PolarHBondContact O-N 3.46Å; K616-Q619 VanDerWaalsContact O-N 3.14Å; K616-E620 IonicContact NZ-OE1 2.76Å; K616-E620 PolarHBondContact NZ-OE1 3.39Å; K616-E620 IonicContact NZ-OE2 3.22Å; K616-E620 PolarHBondContact NZ-OE2 2.86Å; K616-E620 WeakPolarHBondContact O-CG 3.27Å; K616-E620 PolarHBondContact O-N 3.43Å
617	R	98.3	Very high	95.6	Very high	22 Å²	22	53.7 Å²	53.7	8%	0.083	25%	0.253	C	S	.	.	H	α-helix	trans	-66.2	-34.3	178.6	-75.1	170.7	174.2	-177.7	5	113.1	P239 G241 H582 K583 V584 L613 G614 L615 E620 A621	P239-R617 PolarHBondContact O-NH2 2.78Å; G241-R617 PolarHBondContact O-NH1 3.19Å; H582-R617 WeakPolarHBondContact O-CB 3.32Å; H582-R617 VanDerWaalsContact O-CD 3.23Å; H582-R617 WeakPolarHBondContact O-CD 3.29Å; H582-R617 VanDerWaalsContact O-CG 3.29Å; H582-R617 WeakPolarHBondContact O-CG 3.16Å; K583-R617 WeakPolarHBondContact O-CD 3.41Å; K583-R617 PolarHBondContact O-NH1 2.88Å; V584-R617 HydrophobicContact CB-CB 4.06Å; V584-R617 HydrophobicContact CG1-CB 3.84Å; L613-R617 WeakPolarHBondContact O-CG 3.4Å; L613-R617 PolarHBondContact O-N 2.63Å; G614-R617 PolarHBondContact O-N 2.98Å; L615-R617 PolarHBondContact O-N 2.66Å; R617-E620 PolarHBondContact O-N 2.87Å; R617-A621 WeakPolarHBondContact O-CB 3.48Å; R617-A621 PolarHBondContact O-N 2.98Å
618	I	98.4	Very high	95	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-45.5	169.8	-70	164.9	0	0	0	110.3	L245 F579 V584 L586 I602 G614 L615 K616 E620 A621 L622	L245-I618 HydrophobicContact CD1-CD1 4.21Å; F579-I618 HydrophobicContact CD1-CG1 4.28Å; F579-I618 HydrophobicContact CE1-CB 4.22Å; F579-I618 HydrophobicContact CE1-CG1 4.19Å; F579-I618 HydrophobicContact CE1-CG2 3.93Å; V584-I618 HydrophobicContact CG1-CG1 4.01Å; V584-I618 HydrophobicContact CG2-CD1 4.41Å; V584-I618 HydrophobicContact CG2-CG1 4.18Å; L586-I618 HydrophobicContact CD1-CD1 4.19Å; L586-I618 HydrophobicContact CD1-CG1 4.23Å; L586-I618 HydrophobicContact CD2-CD1 4.07Å; I602-I618 HydrophobicContact CG2-CD1 4.39Å; G614-I618 VanDerWaalsContact O-CG1 3.27Å; G614-I618 WeakPolarHBondContact O-CG1 3.3Å; G614-I618 PolarHBondContact O-N 3.37Å; L615-I618 WeakPolarHBondContact O-CB 3.46Å; L615-I618 PolarHBondContact O-N 3.07Å; K616-I618 PolarHBondContact O-N 2.69Å; I618-E620 VanDerWaalsContact C-N 3.33Å; I618-E620 PolarHBondContact O-N 2.64Å; I618-A621 PolarHBondContact O-N 2.9Å; I618-L622 HydrophobicContact CG2-CD1 3.74Å; I618-L622 HydrophobicContact CG2-CG 4.31Å; I618-L622 WeakPolarHBondContact O-CB 3.36Å; I618-L622 WeakPolarHBondContact O-CG 3.21Å; I618-L622 PolarHBondContact O-N 3Å
619	Q	97.6	Very high	94.2	Very high	69 Å²	69	50.6 Å²	50.6	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-61.1	-40.7	176.9	-69.4	175.3	-9.5	0	0	112.3	L543 L615 K616 K623	L543-Q619 HydrophobicContact CD1-CG 3.7Å; L543-Q619 HydrophobicContact CD2-CG 3.88Å; L543-Q619 HydrophobicContact CG-CG 4.32Å; L615-Q619 WeakPolarHBondContact O-CG 3.36Å; L615-Q619 PolarHBondContact O-N 3.4Å; K616-Q619 WeakPolarHBondContact O-CB 3.41Å; K616-Q619 PolarHBondContact O-N 3.46Å; K616-Q619 VanDerWaalsContact O-N 3.14Å; Q619-K623 WeakPolarHBondContact O-CB 3.35Å; Q619-K623 PolarHBondContact O-N 2.9Å
620	E	97.5	Very high	93.2	Very high	78 Å²	78	51.8 Å²	51.8	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-66.8	-45.5	178.6	-69.5	170.5	140.1	0	0	111.7	K616 R617 I618 K623 E624	K616-E620 IonicContact NZ-OE1 2.76Å; K616-E620 PolarHBondContact NZ-OE1 3.39Å; K616-E620 IonicContact NZ-OE2 3.22Å; K616-E620 PolarHBondContact NZ-OE2 2.86Å; K616-E620 WeakPolarHBondContact O-CG 3.27Å; K616-E620 PolarHBondContact O-N 3.43Å; R617-E620 PolarHBondContact O-N 2.87Å; I618-E620 VanDerWaalsContact C-N 3.33Å; I618-E620 PolarHBondContact O-N 2.64Å; E620-K623 WeakPolarHBondContact O-CB 3.4Å; E620-K623 PolarHBondContact O-N 2.69Å; E620-E624 PolarHBondContact O-N 2.73Å; E620-E624 VanDerWaalsContact O-N 3.07Å
621	A	97.6	Very high	91.5	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-43.9	174.3	0	0	0	0	0	112.9	F579 H582 R617 I618 K623 E624 T625	F579-A621 HydrophobicContact CD1-CB 3.57Å; F579-A621 HydrophobicContact CE1-CB 3.8Å; H582-A621 HydrophobicContact CB-CB 3.86Å; R617-A621 WeakPolarHBondContact O-CB 3.48Å; R617-A621 PolarHBondContact O-N 2.98Å; I618-A621 PolarHBondContact O-N 2.9Å; A621-K623 VanDerWaalsContact C-N 3.26Å; A621-K623 PolarHBondContact O-N 2.81Å; A621-E624 PolarHBondContact O-N 2.84Å; A621-T625 PolarHBondContact O-N 2.77Å; A621-T625 VanDerWaalsContact O-N 3.07Å; A621-T625 PolarHBondContact O-OG1 2.97Å; A621-T625 VanDerWaalsContact O-OG1 3.14Å
622	L	96.8	Very high	89.4	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-69.2	-23.3	178.7	-69.4	179	0	0	0	112.9	I545 L560 Y563 L575 F579 I618 K626	I545-L622 HydrophobicContact CD1-CD1 3.69Å; L560-L622 HydrophobicContact CD2-CD1 4.46Å; Y563-L622 HydrophobicContact CD1-CB 4.28Å; Y563-L622 HydrophobicContact CD1-CD2 3.68Å; Y563-L622 HydrophobicContact CD2-CD2 3.76Å; Y563-L622 HydrophobicContact CE1-CB 3.67Å; Y563-L622 HydrophobicContact CE1-CD1 4.39Å; Y563-L622 HydrophobicContact CE1-CD2 3.72Å; Y563-L622 HydrophobicContact CE1-CG 4.12Å; Y563-L622 HydrophobicContact CE2-CD1 4.1Å; Y563-L622 HydrophobicContact CE2-CD2 3.81Å; Y563-L622 HydrophobicContact CE2-CG 4.45Å; Y563-L622 HydrophobicContact CG-CD2 3.69Å; L575-L622 HydrophobicContact CD1-CD2 4.16Å; F579-L622 HydrophobicContact CE1-CD2 4.13Å; F579-L622 HydrophobicContact CE1-CG 4.02Å; F579-L622 HydrophobicContact CZ-CD2 3.71Å; F579-L622 HydrophobicContact CZ-CG 4.06Å; I618-L622 HydrophobicContact CG2-CD1 3.74Å; I618-L622 HydrophobicContact CG2-CG 4.31Å; I618-L622 WeakPolarHBondContact O-CB 3.36Å; I618-L622 WeakPolarHBondContact O-CG 3.21Å; I618-L622 PolarHBondContact O-N 3Å; L622-K626 WeakPolarHBondContact O-CG 3.43Å; L622-K626 PolarHBondContact O-N 3.21Å
623	K	95	Very high	87.3	Confident	118 Å²	118	56.1 Å²	56.1	51%	0.513	29%	0.285	S	S	.	.	H	α-helix	trans	-74.7	-48	171.4	-174.8	176.3	178	-68	0	111.3	Q619 E620 A621 T625 K626 E627	Q619-K623 WeakPolarHBondContact O-CB 3.35Å; Q619-K623 PolarHBondContact O-N 2.9Å; E620-K623 WeakPolarHBondContact O-CB 3.4Å; E620-K623 PolarHBondContact O-N 2.69Å; A621-K623 VanDerWaalsContact C-N 3.26Å; A621-K623 PolarHBondContact O-N 2.81Å; K623-T625 VanDerWaalsContact C-N 3.28Å; K623-T625 PolarHBondContact O-N 3.44Å; K623-K626 PolarHBondContact O-N 2.83Å; K623-E627 WeakPolarHBondContact CE-OE1 3.31Å; K623-E627 IonicContact NZ-OE1 3.07Å; K623-E627 PolarHBondContact NZ-OE1 3.12Å; K623-E627 IonicContact NZ-OE2 3.7Å; K623-E627 WeakPolarHBondContact O-CG 3.41Å; K623-E627 PolarHBondContact O-N 2.73Å
624	E	93.5	Very high	84.8	Confident	45 Å²	45	57.7 Å²	57.7	21%	0.21	30%	0.296	C	S	.	.	H	α-helix	trans	-52.9	-47.3	173.6	179.1	-169.9	129.6	0	0	111.1	R581 H582 E620 A621 E627 K628	R581-E624 IonicContact NH2-OE1 2.68Å; R581-E624 PolarHBondContact NH2-OE1 3.31Å; R581-E624 VanDerWaalsContact NH2-OE1 3.14Å; H582-E624 IonicContact CD2-OE2 3.45Å; H582-E624 IonicContact CE1-OE2 3.93Å; H582-E624 IonicContact NE2-OE2 3.91Å; H582-E624 PolarHBondContact NE2-OE2 2.83Å; E620-E624 PolarHBondContact O-N 2.73Å; E620-E624 VanDerWaalsContact O-N 3.07Å; A621-E624 PolarHBondContact O-N 2.84Å; E624-E627 PolarHBondContact O-N 2.86Å; E624-K628 HydrophobicContact CG-CD 4.08Å; E624-K628 WeakPolarHBondContact O-CG 3.44Å; E624-K628 PolarHBondContact O-N 3.25Å; E624-K628 WeakPolarHBondContact OE1-CE 3.47Å; E624-K628 IonicContact OE1-NZ 3.75Å; E624-K628 PolarHBondContact OE1-NZ 3.49Å
625	T	91.2	Very high	82	Confident	15 Å²	15	61.6 Å²	61.6	9%	0.092	32%	0.323	C	S	.	.	H	α-helix	trans	-63	-43.7	-179.4	-58.6	0	0	0	0	112.1	Y563 L575 A621 K623 E627 K628 N629	Y563-T625 VanDerWaalsContact O-CG2 3.25Å; Y563-T625 WeakPolarHBondContact O-CG2 3.23Å; L575-T625 HydrophobicContact CD1-CG2 4.48Å; A621-T625 PolarHBondContact O-N 2.77Å; A621-T625 VanDerWaalsContact O-N 3.07Å; A621-T625 PolarHBondContact O-OG1 2.97Å; A621-T625 VanDerWaalsContact O-OG1 3.14Å; K623-T625 VanDerWaalsContact C-N 3.28Å; K623-T625 PolarHBondContact O-N 3.44Å; T625-E627 PolarHBondContact O-N 3.13Å; T625-K628 PolarHBondContact O-N 2.88Å; T625-N629 PolarHBondContact O-N 3.08Å; T625-N629 PolarHBondContact O-OD1 3.2Å
626	K	88.4	Confident	79.2	Confident	110 Å²	110	64.6 Å²	64.6	48%	0.478	34%	0.344	S	S	.	.	H	α-helix	trans	-61	-42.1	174.8	-81.7	178.7	167.6	-177.9	0	112.7	Y563 L622 K623 N629 T630	Y563-K626 HydrophobicContact CD1-CG 4.08Å; Y563-K626 HydrophobicContact CE1-CD 3.99Å; Y563-K626 HydrophobicContact CE1-CG 3.92Å; L622-K626 WeakPolarHBondContact O-CG 3.43Å; L622-K626 PolarHBondContact O-N 3.21Å; K623-K626 PolarHBondContact O-N 2.83Å; K626-N629 PolarHBondContact O-N 3.4Å; K626-T630 WeakPolarHBondContact O-CB 3.27Å; K626-T630 PolarHBondContact O-N 3.04Å; K626-T630 PolarHBondContact O-OG1 3.48Å
627	E	88.3	Confident	76.7	Confident	106 Å²	106	64.8 Å²	64.8	50%	0.495	35%	0.349	S	S	.	.	H	α-helix	trans	-66.3	-42.2	-179.3	-73.1	170.3	176	0	0	111.3	K623 E624 T625 T630 S631	K623-E627 WeakPolarHBondContact CE-OE1 3.31Å; K623-E627 IonicContact NZ-OE1 3.07Å; K623-E627 PolarHBondContact NZ-OE1 3.12Å; K623-E627 IonicContact NZ-OE2 3.7Å; K623-E627 WeakPolarHBondContact O-CG 3.41Å; K623-E627 PolarHBondContact O-N 2.73Å; E624-E627 PolarHBondContact O-N 2.86Å; T625-E627 PolarHBondContact O-N 3.13Å; E627-T630 PolarHBondContact O-N 2.93Å; E627-S631 WeakPolarHBondContact O-CB 3.44Å; E627-S631 PolarHBondContact O-N 3.46Å; E627-S631 PolarHBondContact O-OG 2.91Å
628	K	82.4	Confident	73.8	Confident	102 Å²	102	72 Å²	72	44%	0.443	38%	0.381	S	S	.	.	H	α-helix	trans	-59.3	-53.1	172.6	-76.9	177.2	173.4	176.9	0	112.2	E624 T625 T630 S631 C632	E624-K628 HydrophobicContact CG-CD 4.08Å; E624-K628 WeakPolarHBondContact O-CG 3.44Å; E624-K628 PolarHBondContact O-N 3.25Å; E624-K628 WeakPolarHBondContact OE1-CE 3.47Å; E624-K628 IonicContact OE1-NZ 3.75Å; E624-K628 PolarHBondContact OE1-NZ 3.49Å; T625-K628 PolarHBondContact O-N 2.88Å; K628-T630 VanDerWaalsContact C-N 3.27Å; K628-T630 PolarHBondContact O-N 3.2Å; K628-S631 PolarHBondContact O-N 3.18Å; K628-S631 VanDerWaalsContact O-N 3.08Å; K628-S631 PolarHBondContact O-OG 2.97Å; K628-C632 PolarHBondContact O-N 2.91Å
629	N	77.1	Confident	70.8	Confident	34 Å²	34	80.1 Å²	80.1	18%	0.182	42%	0.419	C	S	.	.	H	α-helix	trans	-59.4	-40.2	-178.6	-60.5	5.7	0	0	0	110.9	Y563 N565 T625 K626 C632 V633	Y563-N629 PolarHBondContact O-ND2 2.91Å; Y563-N629 VanDerWaalsContact O-ND2 3.13Å; N565-N629 PolarHBondContact ND2-OD1 2.92Å; N565-N629 WeakPolarHBondContact OD1-CB 3.29Å; N565-N629 PolarHBondContact OD1-ND2 2.89Å; N565-N629 PolarHBondContact OD1-OD1 2.92Å; T625-N629 PolarHBondContact O-N 3.08Å; T625-N629 PolarHBondContact O-OD1 3.2Å; K626-N629 PolarHBondContact O-N 3.4Å; N629-C632 PolarHBondContact O-N 3.49Å; N629-V633 PolarHBondContact O-N 3.37Å
630	T	72.2	Confident	67.9	Low	94 Å²	94	82.5 Å²	82.5	58%	0.577	44%	0.438	S	S	*	.	H	α-helix	trans	-65.1	-41.9	175.3	-51	0	0	0	0	112.3	K626 E627 K628 V633 T634	K626-T630 WeakPolarHBondContact O-CB 3.27Å; K626-T630 PolarHBondContact O-N 3.04Å; K626-T630 PolarHBondContact O-OG1 3.48Å; E627-T630 PolarHBondContact O-N 2.93Å; K628-T630 VanDerWaalsContact C-N 3.27Å; K628-T630 PolarHBondContact O-N 3.2Å; T630-V633 PolarHBondContact O-N 3.08Å; T630-T634 PolarHBondContact O-N 2.76Å; T630-T634 PolarHBondContact O-OG1 3.26Å
631	S	60.2	Low	64.9	Low	62 Å²	62	85.7 Å²	85.7	43%	0.434	46%	0.458	S	S	.	.	H	α-helix	trans	-66.4	-36.4	178.8	70.4	0	0	0	0	112.8	E627 K628 V633 T634 C635	E627-S631 WeakPolarHBondContact O-CB 3.44Å; E627-S631 PolarHBondContact O-N 3.46Å; E627-S631 PolarHBondContact O-OG 2.91Å; K628-S631 PolarHBondContact O-N 3.18Å; K628-S631 VanDerWaalsContact O-N 3.08Å; K628-S631 PolarHBondContact O-OG 2.97Å; S631-V633 PolarHBondContact O-N 3.44Å; S631-T634 WeakPolarHBondContact CA-OG1 3.35Å; S631-T634 PolarHBondContact O-N 3.22Å; S631-T634 PolarHBondContact O-OG1 3.29Å; S631-C635 PolarHBondContact O-N 3.23Å
632	C	53.5	Low	62	Low	73 Å²	73	93.7 Å²	93.7	49%	0.493	50%	0.5	S	S	.	.	H	α-helix	trans	-62.1	-45.4	178.1	-169.1	0	0	0	0	111.5	K628 N629 T634 C635 S636	K628-C632 PolarHBondContact O-N 2.91Å; N629-C632 PolarHBondContact O-N 3.49Å; C632-T634 VanDerWaalsContact C-N 3.31Å; C632-T634 PolarHBondContact O-N 3.39Å; C632-C635 PolarHBondContact O-N 2.93Å; C632-S636 PolarHBondContact O-N 3.33Å; C632-S636 PolarHBondContact O-OG 3.37Å
633	V	53.2	Low	58.8	Low	89 Å²	89	97.1 Å²	97.1	54%	0.539	54%	0.537	S	S	.	.	H	α-helix	trans	-61.2	-38	176.4	175.1	0	0	0	0	111.7	N629 T630 S631 I637	N629-V633 PolarHBondContact O-N 3.37Å; T630-V633 PolarHBondContact O-N 3.08Å; S631-V633 PolarHBondContact O-N 3.44Å; V633-I637 HydrophobicContact CG1-CD1 3.96Å; V633-I637 WeakPolarHBondContact O-CD1 3.37Å; V633-I637 WeakPolarHBondContact O-CG1 3.39Å; V633-I637 PolarHBondContact O-N 3.34Å
634	T	45.3	Very low	55.7	Low	79 Å²	79	95.2 Å²	95.2	49%	0.485	55%	0.55	S	S	.	*	H	α-helix	trans	-76.8	-17.1	177.6	26.1	0	0	0	0	114.5	T630 S631 C632	T630-T634 PolarHBondContact O-N 2.76Å; T630-T634 PolarHBondContact O-OG1 3.26Å; S631-T634 WeakPolarHBondContact CA-OG1 3.35Å; S631-T634 PolarHBondContact O-N 3.22Å; S631-T634 PolarHBondContact O-OG1 3.29Å; C632-T634 VanDerWaalsContact C-N 3.31Å; C632-T634 PolarHBondContact O-N 3.39Å
635	C	38.9	Very low	52.7	Low	82 Å²	82	103.3 Å²	103.3	55%	0.554	59%	0.585	S	S	*	*	H	α-helix	trans	-76.6	-50	166.5	-75.6	0	0	0	0	111.4	S631 C632 I637 K638	S631-C635 PolarHBondContact O-N 3.23Å; C632-C635 PolarHBondContact O-N 2.93Å; C635-I637 VanDerWaalsContact C-N 3.26Å; C635-I637 PolarHBondContact O-N 3.31Å; C635-K638 PolarHBondContact O-N 3.11Å
636	S	39.3	Very low	49.7	Very low	68 Å²	68	111.8 Å²	111.8	48%	0.476	62%	0.62	S	S	.	*	H	α-helix	trans	-61.2	-30.7	-177.7	-58.6	0	0	0	0	113.9	C632 K638	C632-S636 PolarHBondContact O-N 3.33Å; C632-S636 PolarHBondContact O-OG 3.37Å; S636-K638 VanDerWaalsContact C-N 3.26Å; S636-K638 PolarHBondContact O-N 2.92Å
637	I	45.5	Very low	46.9	Very low	108 Å²	108	112.9 Å²	112.9	55%	0.554	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-23.4	174.9	-68.8	167	0	0	0	112.4	V633 C635 T640	V633-I637 HydrophobicContact CG1-CD1 3.96Å; V633-I637 WeakPolarHBondContact O-CD1 3.37Å; V633-I637 WeakPolarHBondContact O-CG1 3.39Å; V633-I637 PolarHBondContact O-N 3.34Å; C635-I637 VanDerWaalsContact C-N 3.26Å; C635-I637 PolarHBondContact O-N 3.31Å; I637-T640 PolarHBondContact O-OG1 3.48Å
638	K	37.9	Very low	44	Very low	174 Å²	174	117.1 Å²	117.1	76%	0.757	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-12.6	-179.1	-72.1	-176.6	175.9	-176	0	114.5	C635 S636	C635-K638 PolarHBondContact O-N 3.11Å; S636-K638 VanDerWaalsContact C-N 3.26Å; S636-K638 PolarHBondContact O-N 2.92Å
639	E	35.4	Very low	41.4	Very low	173 Å²	173	122.1 Å²	122.1	81%	0.808	68%	0.678	S	S	*	*	S	Bend	trans	-92.6	1.5	177.2	-65.1	-174.6	147.9	0	0	112.7
640	T	36.1	Very low	39.1	Very low	119 Å²	119	129.2 Å²	129.2	73%	0.73	71%	0.71	S	S	*	*	S	Bend	trans	-114.6	6.9	178.5	54.8	0	0	0	0	114.7	I637	I637-T640 PolarHBondContact O-OG1 3.48Å
641	D	36.1	Very low	37	Very low	146 Å²	146	134.2 Å²	134.2	78%	0.781	73%	0.727	S	S	*	*			trans	-127.6	54.6	-177.3	-164.3	25.9	0	0	0	112.9
642	D	36.2	Very low	35.4	Very low	167 Å²	167	134.7 Å²	134.7	89%	0.893	74%	0.742	S	S	*	*	S	Bend	trans	-143.3	121.3	153.3	-167.9	9.2	0	0	0	111
643	G	30.1	Very low	34.2	Very low	76 Å²	76	138.8 Å²	138.8	78%	0.784	76%	0.759	S	S	*	*	S	Bend	trans	113.9	83.2	170.6	0	0	0	0	0	116.7
644	G	28.4	Very low	32.9	Very low	77 Å²	77	142.5 Å²	142.5	79%	0.794	77%	0.77	S	S	*	*			trans	179.1	22.2	173.8	0	0	0	0	0	121.9	K646	G644-K646 PolarHBondContact O-N 3.28Å; G644-K646 VanDerWaalsContact O-N 3.11Å
645	K	30.3	Very low	32.2	Very low	216 Å²	216	143.6 Å²	143.6	94%	0.939	78%	0.781	S	S	*	*			trans	-63.5	114.1	176.3	-91.1	-173.6	176.5	176.8	0	112.5
646	K	29.9	Very low	31.7	Very low	192 Å²	192	146 Å²	146	84%	0.835	79%	0.788	S	S	*	*			trans	-160.1	107.7	152.3	-115.4	167	-173	176.6	0	114.3	G644	G644-K646 PolarHBondContact O-N 3.28Å; G644-K646 VanDerWaalsContact O-N 3.11Å
647	T	28.6	Very low	31.2	Very low	134 Å²	134	148.5 Å²	148.5	82%	0.822	80%	0.796	S	S	*	*			trans	37.5	102	147.1	51.7	0	0	0	0	118.6
648	E	27.2	Very low	30.3	Very low	195 Å²	195	148.8 Å²	148.8	91%	0.911	80%	0.804	S	S	*	*			trans	-64	151	154.1	-63.6	166.8	136.5	0	0	111
649	K	28.4	Very low	29.7	Very low	207 Å²	207	145.3 Å²	145.3	90%	0.9	80%	0.801	S	S	*	*			trans	-147.4	141.2	154.8	-122.6	-166	174.5	-153	0	108.3
650	E	28.4	Very low	29.3	Very low	182 Å²	182	144.2 Å²	144.2	85%	0.85	80%	0.799	S	S	*	*			trans	-76.8	148.7	-171.8	-60.5	150.1	121.8	0	0	112.5
651	E	28.6	Very low	28.9	Very low	199 Å²	199	144.2 Å²	144.2	93%	0.93	80%	0.799	S	S	*	*				155.4	155.3	126.5	-85.7	-178.5	170	0	0	112.4
652	G	25.9	Very low	28.4	Very low	72 Å²	72	144.1 Å²	144.1	74%	0.742	80%	0.798	S	S	*	*			trans	101.5	79.1	144.9	0	0	0	0	0	120.1
653	D	27.9	Very low	27.9	Very low	159 Å²	159	140.1 Å²	140.1	85%	0.85	78%	0.784	S	S	*	*			trans	33	152.2	130.4	-80.1	-40.9	0	0	0	126.5
654	E	27.5	Very low	27.7	Very low	168 Å²	168	144.2 Å²	144.2	79%	0.785	79%	0.786	S	S	*	*			trans	51.1	111.8	143.4	-68.2	-161.7	134.2	0	0	124
655	S	29.1	Very low	27.5	Very low	101 Å²	101	146.1 Å²	146.1	71%	0.706	79%	0.787	S	S	*	*				94.3	148.4	116.3	78.6	0	0	0	0	123
656	D	28.4	Very low	27.4	Very low	132 Å²	132	141.1 Å²	141.1	71%	0.706	78%	0.779	S	S	*	*			trans	62.5	107.8	140.3	-88.6	42.5	0	0	0	125
657	N	28.8	Very low	27.7	Very low	121 Å²	121	137.3 Å²	137.3	65%	0.647	77%	0.774	S	S	*	*				71.9	112.3	115.5	-82	-37.5	0	0	0	122.7
658	T	26.3	Very low	27.5	Very low	115 Å²	115	139.7 Å²	139.7	71%	0.706	78%	0.776	S	S	*	*			trans	71.8	108.6	131.2	58.6	0	0	0	0	122
659	S	26.7	Very low	27.4	Very low	101 Å²	101	134.1 Å²	134.1	71%	0.706	76%	0.759	S	S	*	*				89.8	171.6	116.5	80.1	0	0	0	0	121.5
660	I	26.9	Very low	27.2	Very low	149 Å²	149	133.8 Å²	133.8	76%	0.764	76%	0.757	S	S	*	*			trans	93.4	98.7	160.1	-71	166.3	0	0	0	119.3
661	V	26.5	Very low	27.1	Very low	120 Å²	120	130.8 Å²	130.8	73%	0.727	76%	0.756	S	S	*	*				75.1	95.7	127.6	-179	0	0	0	0	120.7
662	N	25.7	Very low	27	Very low	144 Å²	144	125.6 Å²	125.6	77%	0.77	74%	0.742	S	S	*	*				67.5	146.5	105.8	-150.9	19.1	0	0	0	122.2
663	S	27	Very low	27	Very low	83 Å²	83	128.2 Å²	128.2	58%	0.58	74%	0.739	S	S	*	*			trans	110.3	103.7	148.7	-42.8	0	0	0	0	119.9
664	I	25	Very low	26.9	Very low	162 Å²	162	128.1 Å²	128.1	83%	0.831	73%	0.733	S	S	*	*				49.4	116.2	124.7	-55.4	161.3	0	0	0	119
665	S	25.2	Very low	26.8	Very low	116 Å²	116	128 Å²	128	81%	0.811	74%	0.737	S	S	*	*				-170.7	143.8	117.2	34.3	0	0	0	0	113.5
666	S	28.1	Very low	26.6	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	75%	0.747	S	S	*	*			trans	-106.2	161	154.6	62.3	0	0	0	0	108.1
667	P	34.7	Very low	26.4	Very low	111 Å²	111	135.6 Å²	135.6	72%	0.721	75%	0.754	S	S	*	*				-156	165.8	101.1	41.6	-23.9	0	0	0	116.8
668	Q	25.7	Very low	26.1	Very low	184 Å²	184	139.9 Å²	139.9	86%	0.86	76%	0.761	S	S	*	*			trans	35.3	148.7	132.8	-63.1	-177	3.6	0	0	122.1
669	S	24.7	Very low	26	Very low	79 Å²	79	140.2 Å²	140.2	55%	0.552	76%	0.758	S	S	*	*			cis	-177.8	170.1	-6.5	56.6	0	0	0	0	112.2
670	K	25.1	Very low	25.8	Very low	200 Å²	200	140.5 Å²	140.5	87%	0.87	76%	0.761	S	S	*	*			trans	70.3	162	162	-63.6	160.1	-176.2	172.3	0	115.2
671	S	25.6	Very low	26	Very low	118 Å²	118	139.6 Å²	139.6	83%	0.825	76%	0.764	S	S	*	*			cis	-139.4	-173.4	12.9	65.6	0	0	0	0	114.6
672	S	26.4	Very low	26	Very low	90 Å²	90	140.1 Å²	140.1	63%	0.629	77%	0.767	S	S	*	*			trans	-88.5	155.5	172.1	163.1	0	0	0	0	111.7
673	D	26.6	Very low	26.4	Very low	127 Å²	127	138.5 Å²	138.5	68%	0.679	77%	0.765	S	S	*	*				-176.9	133.9	115	-96.8	8.5	0	0	0	119.6
674	Q	25.4	Very low	26.3	Very low	158 Å²	158	141.1 Å²	141.1	74%	0.738	77%	0.772	S	S	*	*			trans	49.7	113.6	136.8	-60.1	-177.4	63.2	0	0	124.3
675	L	26	Very low	26.3	Very low	165 Å²	165	139.5 Å²	139.5	86%	0.864	77%	0.77	S	S	*	*			trans	1.9	138.5	133.2	-67.2	162.4	0	0	0	120.8
676	K	24.3	Very low	26.1	Very low	209 Å²	209	137.5 Å²	137.5	91%	0.909	77%	0.768	S	S	*	*				-164.4	162.3	123.8	-113	166.3	-174.3	171.9	0	114.8
677	E	23.8	Very low	25.9	Very low	184 Å²	184	139.3 Å²	139.3	86%	0.86	77%	0.768	S	S	*	*			trans	-98.2	-177	-175.2	-53.7	166.3	101.1	0	0	113.8
678	R	23.3	Very low	25.4	Very low	210 Å²	210	142.1 Å²	142.1	79%	0.792	78%	0.776	S	S	*	*			trans	105.4	142.9	164.4	-68.1	-175.2	164.5	-93.8	-4.7	116.1
679	D	23.1	Very low	25.3	Very low	122 Å²	122	136.6 Å²	136.6	65%	0.652	77%	0.769	S	S	*	*			cis	-147.9	167.2	-3.4	-105.4	-37.2	0	0	0	110.1
680	S	22.4	Very low	25.3	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	78%	0.784	S	S	*	*			trans	-91.3	166.8	173.5	-47.4	0	0	0	0	112.5
681	P	32.2	Very low	25.3	Very low	129 Å²	129	137.8 Å²	137.8	84%	0.838	79%	0.787	S	S	*	*				-148.7	174.4	88.7	38.7	-20.4	0	0	0	117.2
682	V	25.5	Very low	25.3	Very low	131 Å²	131	140 Å²	140	79%	0.794	79%	0.785	S	S	*	*			trans	-111.9	143.2	177.4	166.6	0	0	0	0	106.9
683	P	34.6	Very low	25	Very low	111 Å²	111	143.1 Å²	143.1	72%	0.721	79%	0.787	S	S	*	*				-158	-173.1	82.4	46.9	-25.5	0	0	0	115.3
684	D	23.9	Very low	24.8	Very low	137 Å²	137	146.8 Å²	146.8	73%	0.733	80%	0.797	S	S	*	*			cis	-149.1	179.9	-8.8	-138.4	-58.2	0	0	0	111.9
685	T	25	Very low	24.7	Very low	128 Å²	128	146.4 Å²	146.4	79%	0.785	80%	0.799	S	S	*	*			trans	-50.1	155.8	180	42.8	0	0	0	0	119.9
686	G	22.6	Very low	24.6	Very low	75 Å²	75	146.8 Å²	146.8	77%	0.773	80%	0.801	S	S	*	*			trans	-159	151.8	166.6	0	0	0	0	0	111
687	L	23.7	Very low	24.5	Very low	150 Å²	150	143.9 Å²	143.9	79%	0.785	80%	0.796	S	S	*	*			trans	-117.3	146.4	-160.5	-120.1	75.7	0	0	0	115.5
688	L	23.3	Very low	24.6	Very low	169 Å²	169	140.4 Å²	140.4	89%	0.885	79%	0.791	S	S	*	*			trans	63	161.5	158.7	-58.5	170.6	0	0	0	116.5
689	G	23.9	Very low	24.6	Very low	68 Å²	68	139.7 Å²	139.7	70%	0.701	80%	0.796	S	S	*	*			cis	-163	172.8	-3.8	0	0	0	0	0	110.2
690	A	25.4	Very low	24.7	Very low	107 Å²	107	143 Å²	143	88%	0.884	81%	0.808	S	S	*	*			trans	-87.4	140.8	-178.5	0	0	0	0	0	112.5
691	E	25.4	Very low	25	Very low	197 Å²	197	143 Å²	143	92%	0.921	81%	0.808	S	S	*	*			trans	-125	131.7	163.8	-69.2	-170.4	154.9	0	0	109.1
692	E	23.7	Very low	24.8	Very low	166 Å²	166	146.5 Å²	146.5	78%	0.776	81%	0.81	S	S	*	*			trans	-144.6	149.7	170.7	-153	-171	-160.6	0	0	108.8
693	F	22.2	Very low	25.4	Very low	155 Å²	155	146.2 Å²	146.2	68%	0.68	81%	0.81	S	S	*	*			trans	55.3	120.4	174.9	-73.9	-78.2	0	0	0	119.4
694	F	22.2	Very low	25.4	Very low	203 Å²	203	145.6 Å²	145.6	89%	0.89	82%	0.815	S	S	*	*			trans	-134.2	128.8	131.4	-108.8	-81.7	0	0	0	110.3
695	L	22.3	Very low	26.2	Very low	150 Å²	150	145.5 Å²	145.5	79%	0.785	81%	0.81	S	S	*	*			trans	-74.8	142.8	161.7	-74.7	120.7	0	0	0	108.8
696	L	24.1	Very low	27.5	Very low	173 Å²	173	141.8 Å²	141.8	91%	0.906	80%	0.797	S	S	*	*			trans	-91.8	128.6	160.5	-96.5	78.5	0	0	0	108.9
697	D	22.6	Very low	28.4	Very low	148 Å²	148	144.3 Å²	144.3	79%	0.791	79%	0.792	S	S	*	*			trans	-104.2	174.7	170.3	-150.2	-19.2	0	0	0	110.5
698	C	24.5	Very low	29.5	Very low	112 Å²	112	143.9 Å²	143.9	76%	0.757	79%	0.791	S	S	*	*			trans	-61	150.2	-165.2	-59	0	0	0	0	115.6
699	Q	23.3	Very low	30.8	Very low	194 Å²	194	138.4 Å²	138.4	91%	0.907	77%	0.766	S	S	*	*			trans	-126.3	136.1	151.5	-84	-162.8	-17	0	0	110.8
700	E	25.4	Very low	31.9	Very low	193 Å²	193	139.9 Å²	139.9	90%	0.902	76%	0.758	S	S	*	*			trans	-80.8	150.8	-174.9	-70.9	-169.7	118.9	0	0	114.7
701	S	30.2	Very low	33.5	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	73%	0.729	S	S	*	*			trans	-50.7	155.6	176.8	65.4	0	0	0	0	118.1
702	K	26.1	Very low	34.9	Very low	203 Å²	203	129.7 Å²	129.7	88%	0.883	70%	0.703	S	S	*	*			trans	-169.8	153	138.9	-105.2	151.2	-171.6	161.1	0	110.9
703	P	38.2	Very low	36.4	Very low	124 Å²	124	125 Å²	125	81%	0.805	69%	0.686	S	S	*	*			cis	-114.9	-177.9	-13.9	40.3	-27.4	0	0	0	112.5
704	A	35.5	Very low	37.4	Very low	99 Å²	99	121.6 Å²	121.6	82%	0.818	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-58.9	141	-173.1	0	0	0	0	0	115.8
705	E	41.2	Very low	38.9	Very low	135 Å²	135	120 Å²	120	63%	0.631	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-65.4	143.2	156.2	-69.3	-167.5	-160.3	0	0	110.8	S709	E705-S709 WeakPolarHBondContact OE2-CB 3.28Å; E705-S709 PolarHBondContact OE2-OG 2.88Å
706	G	51.3	Low	40.1	Very low	50 Å²	50	119.1 Å²	119.1	52%	0.515	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-69.6	151.6	177.4	0	0	0	0	0	112.8	D708 S709 L710	G706-D708 PolarHBondContact O-N 2.84Å; G706-D708 VanDerWaalsContact O-N 3.11Å; G706-S709 WeakPolarHBondContact O-CA 3.19Å; G706-S709 WeakPolarHBondContact O-CB 3.43Å; G706-S709 PolarHBondContact O-N 2.6Å; G706-L710 PolarHBondContact O-N 2.98Å
707	L	42.8	Very low	41.2	Very low	128 Å²	128	116 Å²	116	67%	0.67	64%	0.635	S	S	*	*	H	α-helix	trans	-53.1	-35	-179.3	-177	62.7	0	0	0	113.4	S709 L710 I711	L707-S709 VanDerWaalsContact C-N 3.34Å; L707-S709 PolarHBondContact O-N 2.96Å; L707-L710 PolarHBondContact O-N 3.44Å; L707-I711 HydrophobicContact CD1-CD1 4.25Å; L707-I711 HydrophobicContact CD1-CG1 4.45Å; L707-I711 HydrophobicContact CD2-CD1 4.46Å; L707-I711 HydrophobicContact CG-CD1 3.85Å; L707-I711 HydrophobicContact CG-CG1 4.46Å; L707-I711 WeakPolarHBondContact O-CB 3.33Å; L707-I711 VanDerWaalsContact O-CG1 3.28Å; L707-I711 WeakPolarHBondContact O-CG1 3.43Å; L707-I711 PolarHBondContact O-N 3Å
708	D	46.8	Very low	42.6	Very low	140 Å²	140	113.7 Å²	113.7	75%	0.749	62%	0.622	S	S	*	*	H	α-helix	trans	-67.6	-28.3	175.4	-69.9	-59.3	0	0	0	113.7	G706 G712	G706-D708 PolarHBondContact O-N 2.84Å; G706-D708 VanDerWaalsContact O-N 3.11Å; D708-G712 PolarHBondContact O-N 2.91Å
709	S	50.1	Low	43.7	Very low	54 Å²	54	118.6 Å²	118.6	38%	0.378	62%	0.624	S	S	.	*	H	α-helix	trans	-65.9	-51.2	170.5	-169.2	0	0	0	0	109.9	E705 G706 L707 I711 G712 T713	E705-S709 WeakPolarHBondContact OE2-CB 3.28Å; E705-S709 PolarHBondContact OE2-OG 2.88Å; G706-S709 WeakPolarHBondContact O-CA 3.19Å; G706-S709 WeakPolarHBondContact O-CB 3.43Å; G706-S709 PolarHBondContact O-N 2.6Å; L707-S709 VanDerWaalsContact C-N 3.34Å; L707-S709 PolarHBondContact O-N 2.96Å; S709-I711 VanDerWaalsContact C-N 3.34Å; S709-I711 PolarHBondContact O-N 3.26Å; S709-G712 CarbonylContact O-C 3.57Å; S709-G712 WeakPolarHBondContact O-CA 3.04Å; S709-G712 PolarHBondContact O-N 3.21Å; S709-T713 PolarHBondContact O-N 2.96Å; S709-T713 PolarHBondContact O-OG1 3.42Å
710	L	47.1	Very low	44.7	Very low	99 Å²	99	113.1 Å²	113.1	52%	0.518	61%	0.607	S	S	.	*	H	α-helix	trans	-60.4	-42.5	-180	-153.7	77.6	0	0	0	111.8	G706 L707 G712 T713 L714	G706-L710 PolarHBondContact O-N 2.98Å; L707-L710 PolarHBondContact O-N 3.44Å; L710-G712 VanDerWaalsContact C-N 3.32Å; L710-G712 PolarHBondContact O-N 3.39Å; L710-T713 PolarHBondContact O-N 2.99Å; L710-L714 HydrophobicContact CG-CD1 4.44Å; L710-L714 WeakPolarHBondContact O-CB 3.31Å; L710-L714 WeakPolarHBondContact O-CG 3.34Å; L710-L714 PolarHBondContact O-N 2.94Å
711	I	57.8	Low	45.5	Very low	53 Å²	53	106.7 Å²	106.7	27%	0.272	58%	0.584	S	S	.	*	H	α-helix	trans	-64.9	-34.8	173.3	-70.9	170.1	0	0	0	111.5	L707 S709 R715	L707-I711 HydrophobicContact CD1-CD1 4.25Å; L707-I711 HydrophobicContact CD1-CG1 4.45Å; L707-I711 HydrophobicContact CD2-CD1 4.46Å; L707-I711 HydrophobicContact CG-CD1 3.85Å; L707-I711 HydrophobicContact CG-CG1 4.46Å; L707-I711 WeakPolarHBondContact O-CB 3.33Å; L707-I711 VanDerWaalsContact O-CG1 3.28Å; L707-I711 WeakPolarHBondContact O-CG1 3.43Å; L707-I711 PolarHBondContact O-N 3Å; S709-I711 VanDerWaalsContact C-N 3.34Å; S709-I711 PolarHBondContact O-N 3.26Å; I711-R715 VanDerWaalsContact CG2-CZ 3.47Å; I711-R715 VanDerWaalsContact O-CB 3.3Å; I711-R715 WeakPolarHBondContact O-CB 3.45Å; I711-R715 WeakPolarHBondContact O-CD 3.49Å; I711-R715 WeakPolarHBondContact O-CG 3.37Å; I711-R715 PolarHBondContact O-N 3.31Å
712	G	55.9	Low	46.3	Very low	38 Å²	38	106.4 Å²	106.4	39%	0.392	57%	0.574	S	S	.	*	H	α-helix	trans	-62.3	-52.2	172.1	0	0	0	0	0	112.2	D708 S709 L710 R715 H716	D708-G712 PolarHBondContact O-N 2.91Å; S709-G712 CarbonylContact O-C 3.57Å; S709-G712 WeakPolarHBondContact O-CA 3.04Å; S709-G712 PolarHBondContact O-N 3.21Å; L710-G712 VanDerWaalsContact C-N 3.32Å; L710-G712 PolarHBondContact O-N 3.39Å; G712-R715 PolarHBondContact O-N 2.99Å; G712-H716 PolarHBondContact O-N 3.47Å
713	T	53.8	Low	47.2	Very low	67 Å²	67	104.6 Å²	104.6	41%	0.411	56%	0.562	S	S	.	*	H	α-helix	trans	-62.3	-45.8	179.7	-59.2	0	0	0	0	112	S709 L710 R715 H716 Q717	S709-T713 PolarHBondContact O-N 2.96Å; S709-T713 PolarHBondContact O-OG1 3.42Å; L710-T713 PolarHBondContact O-N 2.99Å; T713-R715 PolarHBondContact O-N 3.29Å; T713-H716 WeakPolarHBondContact O-CB 3.42Å; T713-H716 PolarHBondContact O-N 3.19Å; T713-H716 VanDerWaalsContact O-N 3.08Å; T713-Q717 PolarHBondContact O-N 3.46Å
714	L	44.7	Very low	47.4	Very low	84 Å²	84	101.6 Å²	101.6	44%	0.44	54%	0.539	S	S	.	.	H	α-helix	trans	-60.4	-42.5	174.6	-78.1	164	0	0	0	112	L710 H716 Q717 I718	L710-L714 HydrophobicContact CG-CD1 4.44Å; L710-L714 WeakPolarHBondContact O-CB 3.31Å; L710-L714 WeakPolarHBondContact O-CG 3.34Å; L710-L714 PolarHBondContact O-N 2.94Å; L714-H716 VanDerWaalsContact C-N 3.26Å; L714-H716 PolarHBondContact O-N 3.48Å; L714-Q717 PolarHBondContact O-N 2.94Å; L714-I718 WeakPolarHBondContact O-CB 3.18Å; L714-I718 WeakPolarHBondContact O-CD1 3.43Å; L714-I718 VanDerWaalsContact O-CG1 3.23Å; L714-I718 WeakPolarHBondContact O-CG1 3.3Å; L714-I718 PolarHBondContact O-N 2.95Å
715	R	52.3	Low	48.1	Very low	168 Å²	168	102.5 Å²	102.5	63%	0.634	53%	0.526	S	S	*	.	H	α-helix	trans	-66	-26.9	174.8	-76.6	171.9	178.5	166.8	4.3	113.3	I711 G712 T713 R719	I711-R715 VanDerWaalsContact CG2-CZ 3.47Å; I711-R715 VanDerWaalsContact O-CB 3.3Å; I711-R715 WeakPolarHBondContact O-CB 3.45Å; I711-R715 WeakPolarHBondContact O-CD 3.49Å; I711-R715 WeakPolarHBondContact O-CG 3.37Å; I711-R715 PolarHBondContact O-N 3.31Å; G712-R715 PolarHBondContact O-N 2.99Å; T713-R715 PolarHBondContact O-N 3.29Å; R715-R719 WeakPolarHBondContact O-CD 3.23Å; R715-R719 WeakPolarHBondContact O-CG 3.46Å
716	H	48.6	Very low	48.3	Very low	132 Å²	132	103.5 Å²	103.5	61%	0.611	53%	0.528	S	S	*	.	H	α-helix	trans	-71.9	-51.4	171.9	-165.1	-72.3	0	0	0	110.5	G712 T713 L714 I718 R719 S720	G712-H716 PolarHBondContact O-N 3.47Å; T713-H716 WeakPolarHBondContact O-CB 3.42Å; T713-H716 PolarHBondContact O-N 3.19Å; T713-H716 VanDerWaalsContact O-N 3.08Å; L714-H716 VanDerWaalsContact C-N 3.26Å; L714-H716 PolarHBondContact O-N 3.48Å; H716-I718 PolarHBondContact O-N 3.07Å; H716-R719 CarbonylContact O-C 3.56Å; H716-R719 WeakPolarHBondContact O-CA 3.37Å; H716-R719 PolarHBondContact O-N 3.27Å; H716-S720 WeakPolarHBondContact O-CB 3.23Å; H716-S720 PolarHBondContact O-N 3.37Å; H716-S720 PolarHBondContact O-OG 2.98Å
717	Q	47.9	Very low	48.1	Very low	108 Å²	108	105 Å²	105	51%	0.505	52%	0.524	S	S	.	.	H	α-helix	trans	-60.9	-40.6	-179.9	-72.3	176.9	-39.9	0	0	113.3	T713 L714 R719 S720 S721	T713-Q717 PolarHBondContact O-N 3.46Å; L714-Q717 PolarHBondContact O-N 2.94Å; Q717-R719 PolarHBondContact O-N 3.01Å; Q717-S720 PolarHBondContact O-N 3.41Å; Q717-S721 PolarHBondContact O-N 2.93Å; Q717-S721 PolarHBondContact O-OG 2.98Å
718	I	50.1	Low	48.4	Very low	100 Å²	100	102.8 Å²	102.8	51%	0.513	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.9	175.3	-70.4	166	0	0	0	112	L714 H716 L724	L714-I718 WeakPolarHBondContact O-CB 3.18Å; L714-I718 WeakPolarHBondContact O-CD1 3.43Å; L714-I718 VanDerWaalsContact O-CG1 3.23Å; L714-I718 WeakPolarHBondContact O-CG1 3.3Å; L714-I718 PolarHBondContact O-N 2.95Å; H716-I718 PolarHBondContact O-N 3.07Å; I718-L724 HydrophobicContact CG2-CD1 4.1Å
719	R	48.8	Very low	48.1	Very low	214 Å²	214	100.9 Å²	100.9	81%	0.808	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-18.9	176.3	-74.4	176.3	166	-174.8	-7.2	114	R715 H716 Q717	R715-R719 WeakPolarHBondContact O-CD 3.23Å; R715-R719 WeakPolarHBondContact O-CG 3.46Å; H716-R719 CarbonylContact O-C 3.56Å; H716-R719 WeakPolarHBondContact O-CA 3.37Å; H716-R719 PolarHBondContact O-N 3.27Å; Q717-R719 PolarHBondContact O-N 3.01Å
720	S	43.7	Very low	47.7	Very low	79 Å²	79	104.3 Å²	104.3	55%	0.552	53%	0.53	S	S	*	.	S	Bend	trans	-109.9	17.5	-174.9	74.4	0	0	0	0	113.8	H716 Q717	H716-S720 WeakPolarHBondContact O-CB 3.23Å; H716-S720 PolarHBondContact O-N 3.37Å; H716-S720 PolarHBondContact O-OG 2.98Å; Q717-S720 PolarHBondContact O-N 3.41Å
721	S	43.1	Very low	47.3	Very low	59 Å²	59	107 Å²	107	41%	0.413	54%	0.544	S	S	.	.			trans	-139	133.4	179	61.3	0	0	0	0	112.6	Q717 W723	Q717-S721 PolarHBondContact O-N 2.93Å; Q717-S721 PolarHBondContact O-OG 2.98Å; S721-W723 PolarHBondContact O-N 3.17Å
722	D	46.6	Very low	46.2	Very low	101 Å²	101	107.5 Å²	107.5	54%	0.54	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.6	8.7	173.2	-42.8	-35.7	0	0	0	113.3	L724 E725 K726	D722-L724 VanDerWaalsContact C-N 3.25Å; D722-L724 PolarHBondContact O-N 3.18Å; D722-E725 PolarHBondContact O-N 3.48Å; D722-K726 HydrophobicContact CB-CD 4.07Å; D722-K726 PolarHBondContact O-N 2.96Å; D722-K726 IonicContact OD2-NZ 2.76Å; D722-K726 PolarHBondContact OD2-NZ 3.42Å
723	W	44.7	Very low	45.4	Very low	164 Å²	164	114.7 Å²	114.7	62%	0.621	58%	0.575	S	S	*	*	H	α-helix	trans	-60.1	-36.2	-170.3	-171.9	94.4	0	0	0	111.8	S721 E725 N727	S721-W723 PolarHBondContact O-N 3.17Å; W723-E725 VanDerWaalsContact C-N 3.34Å; W723-E725 PolarHBondContact O-N 3.45Å; W723-N727 VanDerWaalsContact CE2-ND2 3.35Å; W723-N727 PolarHBondContact NE1-ND2 2.6Å; W723-N727 WeakPolarHBondContact O-CB 3.4Å; W723-N727 PolarHBondContact O-N 2.95Å; W723-N727 PolarHBondContact O-ND2 3.3Å
724	L	43.3	Very low	45.3	Very low	62 Å²	62	115.1 Å²	115.1	33%	0.325	59%	0.594	S	S	.	*	H	α-helix	trans	-72.1	-20.5	175.9	-81.9	170.5	0	0	0	114.5	I718 D722 L747	I718-L724 HydrophobicContact CG2-CD1 4.1Å; D722-L724 VanDerWaalsContact C-N 3.25Å; D722-L724 PolarHBondContact O-N 3.18Å; L724-L747 HydrophobicContact CD2-CD1 4.47Å
725	E	49.3	Very low	45.4	Very low	118 Å²	118	117.8 Å²	117.8	55%	0.551	60%	0.603	S	S	*	*	H	α-helix	trans	-87.8	-40.9	172.9	-58.6	-151.9	135.5	0	0	110.8	D722 W723 N727 T728 K751	D722-E725 PolarHBondContact O-N 3.48Å; W723-E725 VanDerWaalsContact C-N 3.34Å; W723-E725 PolarHBondContact O-N 3.45Å; E725-N727 VanDerWaalsContact C-N 3.31Å; E725-N727 PolarHBondContact O-N 3.39Å; E725-T728 PolarHBondContact O-N 3.12Å; E725-T728 PolarHBondContact O-OG1 3.21Å; E725-K751 WeakPolarHBondContact OE1-CE 3.38Å; E725-K751 IonicContact OE1-NZ 3.88Å; E725-K751 PolarHBondContact OE1-NZ 3.46Å
726	K	45.8	Very low	45.3	Very low	155 Å²	155	114 Å²	114	67%	0.674	60%	0.596	S	S	*	*	H	α-helix	trans	-66.3	-26.4	178.1	-74.2	167.6	176.5	152.3	0	113.7	D722	D722-K726 HydrophobicContact CB-CD 4.07Å; D722-K726 PolarHBondContact O-N 2.96Å; D722-K726 IonicContact OD2-NZ 2.76Å; D722-K726 PolarHBondContact OD2-NZ 3.42Å
727	N	47.3	Very low	45.5	Very low	81 Å²	81	112.4 Å²	112.4	43%	0.433	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104	39.5	177.5	-64.7	-82.5	0	0	0	113	W723 E725 P729	W723-N727 VanDerWaalsContact CE2-ND2 3.35Å; W723-N727 PolarHBondContact NE1-ND2 2.6Å; W723-N727 WeakPolarHBondContact O-CB 3.4Å; W723-N727 PolarHBondContact O-N 2.95Å; W723-N727 PolarHBondContact O-ND2 3.3Å; E725-N727 VanDerWaalsContact C-N 3.31Å; E725-N727 PolarHBondContact O-N 3.39Å; N727-P729 VanDerWaalsContact O-CD 3.31Å; N727-P729 WeakPolarHBondContact O-CD 3.34Å
728	T	48.5	Very low	45.7	Very low	83 Å²	83	114.5 Å²	114.5	51%	0.509	61%	0.607	S	S	.	*			trans	-77.3	115.1	167	-55.5	0	0	0	0	109	E725 V730	E725-T728 PolarHBondContact O-N 3.12Å; E725-T728 PolarHBondContact O-OG1 3.21Å; T728-V730 PolarHBondContact O-N 3.2Å
729	P	40.1	Very low	45.8	Very low	99 Å²	99	115.1 Å²	115.1	64%	0.643	61%	0.61	S	S	*	*			trans	-68.6	119.5	-176.1	-19.9	33.9	0	0	0	111.5	N727	N727-P729 VanDerWaalsContact O-CD 3.31Å; N727-P729 WeakPolarHBondContact O-CD 3.34Å
730	V	42.1	Very low	45.9	Very low	127 Å²	127	109.7 Å²	109.7	77%	0.77	60%	0.597	S	S	*	*			trans	-106.8	120.8	168.6	172.3	0	0	0	0	107.3	T728	T728-V730 PolarHBondContact O-N 3.2Å
731	L	38.1	Very low	46.5	Very low	154 Å²	154	110.6 Å²	110.6	81%	0.806	60%	0.596	S	S	*	*			trans	76	77.5	-179.1	-56.6	166	0	0	0	117
732	S	35.9	Very low	47.2	Very low	64 Å²	64	112 Å²	112	45%	0.448	60%	0.602	S	S	.	*			trans	-107.4	94.2	140.4	54.7	0	0	0	0	109.8	G734 E735	S732-G734 PolarHBondContact O-N 3.45Å; S732-E735 WeakPolarHBondContact CB-OE2 3.35Å; S732-E735 PolarHBondContact OG-OE2 2.86Å
733	H	39	Very low	47.4	Very low	189 Å²	189	112.1 Å²	112.1	88%	0.875	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	63	-176.2	-153.7	-58.6	0	0	0	111.4
734	G	51.1	Low	48	Very low	77 Å²	77	109.4 Å²	109.4	79%	0.794	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	164.4	7.7	180	0	0	0	0	0	117.6	S732	S732-G734 PolarHBondContact O-N 3.45Å
735	E	46.8	Very low	48.6	Very low	139 Å²	139	109.4 Å²	109.4	65%	0.65	60%	0.595	S	S	*	*			trans	-92.2	160	-179.1	-71	-175.6	137.8	0	0	113.9	S732	S732-E735 WeakPolarHBondContact CB-OE2 3.35Å; S732-E735 PolarHBondContact OG-OE2 2.86Å
736	D	49.7	Very low	48.6	Very low	88 Å²	88	108.6 Å²	108.6	47%	0.471	59%	0.594	S	S	.	*			trans	-65.7	126.5	-172.7	-167.5	-46.5	0	0	0	112.3	E738 I739	D736-E738 PolarHBondContact O-N 3.31Å; D736-E738 PolarHBondContact OD1-N 2.67Å; D736-I739 HydrophobicContact CB-CD1 4.08Å; D736-I739 HydrophobicContact CB-CG1 4.23Å; D736-I739 PolarHBondContact O-N 2.91Å; D736-I739 VanDerWaalsContact O-N 3.17Å
737	P	53.9	Low	48.9	Very low	99 Å²	99	103.7 Å²	103.7	64%	0.643	58%	0.575	S	S	*	*	H	α-helix	trans	-61.6	-23.1	-178.8	25.4	-35.2	0	0	0	114.5	D741	P737-D741 PolarHBondContact O-N 3.35Å
738	E	52.8	Low	49.1	Very low	153 Å²	153	107 Å²	107	72%	0.715	59%	0.588	S	S	*	*	H	α-helix	trans	-66.6	-37.8	176.2	-66.1	-158.6	161	0	0	111.9	D736 L740 D741 V742	D736-E738 PolarHBondContact O-N 3.31Å; D736-E738 PolarHBondContact OD1-N 2.67Å; E738-L740 VanDerWaalsContact C-N 3.34Å; E738-L740 PolarHBondContact O-N 3.21Å; E738-D741 PolarHBondContact O-N 3.03Å; E738-V742 WeakPolarHBondContact O-CG2 3.44Å; E738-V742 PolarHBondContact O-N 3.4Å
739	I	51.3	Low	49.2	Very low	112 Å²	112	112.1 Å²	112.1	57%	0.574	60%	0.598	S	S	*	*	H	α-helix	trans	-63.9	-42.4	179.8	-61	176.1	0	0	0	110.3	D736 D741 V742 F743	D736-I739 HydrophobicContact CB-CD1 4.08Å; D736-I739 HydrophobicContact CB-CG1 4.23Å; D736-I739 PolarHBondContact O-N 2.91Å; D736-I739 VanDerWaalsContact O-N 3.17Å; I739-D741 PolarHBondContact O-N 3.43Å; I739-V742 PolarHBondContact O-N 3.05Å; I739-F743 PolarHBondContact O-N 2.98Å
740	L	50.3	Low	49.5	Very low	100 Å²	100	110.5 Å²	110.5	52%	0.524	59%	0.593	S	S	.	*	H	α-helix	trans	-63.6	-40.7	-179.6	179.6	62	0	0	0	112.4	E738 F743 K744	E738-L740 VanDerWaalsContact C-N 3.34Å; E738-L740 PolarHBondContact O-N 3.21Å; L740-F743 PolarHBondContact O-N 2.96Å; L740-K744 WeakPolarHBondContact O-CG 3.36Å; L740-K744 PolarHBondContact O-N 2.9Å
741	D	56.4	Low	49.7	Very low	99 Å²	99	111 Å²	111	53%	0.529	59%	0.585	S	S	.	*	H	α-helix	trans	-77.5	-30.7	178.5	-96.7	25.7	0	0	0	112.9	P737 E738 I739 F743 K744 S745	P737-D741 PolarHBondContact O-N 3.35Å; E738-D741 PolarHBondContact O-N 3.03Å; I739-D741 PolarHBondContact O-N 3.43Å; D741-F743 VanDerWaalsContact C-N 3.35Å; D741-K744 WeakPolarHBondContact OD1-CD 3.49Å; D741-K744 IonicContact OD1-NZ 3.02Å; D741-K744 PolarHBondContact OD1-NZ 3.2Å; D741-S745 VanDerWaalsContact O-CB 3.32Å; D741-S745 WeakPolarHBondContact O-CB 3.42Å; D741-S745 PolarHBondContact O-N 3.31Å
742	V	58.6	Low	49.8	Very low	89 Å²	89	114.4 Å²	114.4	54%	0.539	59%	0.593	S	S	.	*	H	α-helix	trans	-59.6	-46.1	166.3	168.9	0	0	0	0	110.5	E738 I739 S745 L746	E738-V742 WeakPolarHBondContact O-CG2 3.44Å; E738-V742 PolarHBondContact O-N 3.4Å; I739-V742 PolarHBondContact O-N 3.05Å; V742-S745 WeakPolarHBondContact O-CB 3.37Å; V742-S745 PolarHBondContact O-N 2.87Å; V742-L746 HydrophobicContact CG1-CD1 4.1Å; V742-L746 WeakPolarHBondContact O-CG 3.32Å; V742-L746 PolarHBondContact O-N 3.02Å
743	F	49.7	Very low	50.5	Low	102 Å²	102	117 Å²	117	45%	0.447	60%	0.6	S	S	.	*	H	α-helix	trans	-63.2	-44.8	179.7	-156.4	-93.4	0	0	0	112.2	I739 L740 D741 S745 L746 L747	I739-F743 PolarHBondContact O-N 2.98Å; L740-F743 PolarHBondContact O-N 2.96Å; D741-F743 VanDerWaalsContact C-N 3.35Å; F743-S745 VanDerWaalsContact C-N 3.33Å; F743-S745 PolarHBondContact O-N 3.26Å; F743-L746 PolarHBondContact O-N 3.07Å; F743-L747 PolarHBondContact O-N 3.19Å
744	K	57.6	Low	51.1	Low	107 Å²	107	113.2 Å²	113.2	47%	0.465	59%	0.586	S	S	.	*	H	α-helix	trans	-58.9	-41.9	172.5	-69.5	170.5	-159.2	150.8	0	112.4	L740 D741 L746 L747 Q748	L740-K744 WeakPolarHBondContact O-CG 3.36Å; L740-K744 PolarHBondContact O-N 2.9Å; D741-K744 WeakPolarHBondContact OD1-CD 3.49Å; D741-K744 IonicContact OD1-NZ 3.02Å; D741-K744 PolarHBondContact OD1-NZ 3.2Å; K744-L746 VanDerWaalsContact C-N 3.34Å; K744-L747 PolarHBondContact O-N 3.36Å; K744-Q748 WeakPolarHBondContact O-CB 3.44Å; K744-Q748 PolarHBondContact O-N 3.38Å
745	S	56.3	Low	51.1	Low	63 Å²	63	115.2 Å²	115.2	44%	0.441	57%	0.574	S	S	.	*	H	α-helix	trans	-65.7	-36.5	179.9	-164.4	0	0	0	0	112.4	D741 V742 F743 R749	D741-S745 VanDerWaalsContact O-CB 3.32Å; D741-S745 WeakPolarHBondContact O-CB 3.42Å; D741-S745 PolarHBondContact O-N 3.31Å; V742-S745 WeakPolarHBondContact O-CB 3.37Å; V742-S745 PolarHBondContact O-N 2.87Å; F743-S745 VanDerWaalsContact C-N 3.33Å; F743-S745 PolarHBondContact O-N 3.26Å; S745-R749 WeakPolarHBondContact O-CB 3.45Å; S745-R749 WeakPolarHBondContact O-CG 3.48Å; S745-R749 PolarHBondContact O-N 3.18Å
746	L	49.8	Very low	51.3	Low	101 Å²	101	113.8 Å²	113.8	53%	0.529	57%	0.57	S	S	.	*	H	α-helix	trans	-66.5	-47.7	171.4	-70.2	168.3	0	0	0	111.4	V742 F743 K744 Q748 R749 A750	V742-L746 HydrophobicContact CG1-CD1 4.1Å; V742-L746 WeakPolarHBondContact O-CG 3.32Å; V742-L746 PolarHBondContact O-N 3.02Å; F743-L746 PolarHBondContact O-N 3.07Å; K744-L746 VanDerWaalsContact C-N 3.34Å; L746-Q748 VanDerWaalsContact C-N 3.33Å; L746-Q748 PolarHBondContact O-N 3.33Å; L746-R749 CarbonylContact O-C 3.57Å; L746-R749 PolarHBondContact O-N 3.29Å; L746-R749 VanDerWaalsContact O-N 3.07Å; L746-A750 PolarHBondContact O-N 2.87Å
747	L	50.9	Low	51.4	Low	51 Å²	51	115.4 Å²	115.4	27%	0.267	58%	0.576	S	S	.	*	H	α-helix	trans	-59.6	-42.8	178.6	-150.7	86.9	0	0	0	112	L724 F743 K744 R749 A750 K751	L724-L747 HydrophobicContact CD2-CD1 4.47Å; F743-L747 PolarHBondContact O-N 3.19Å; K744-L747 PolarHBondContact O-N 3.36Å; L747-R749 PolarHBondContact O-N 3.43Å; L747-A750 PolarHBondContact O-N 3.11Å; L747-K751 PolarHBondContact O-N 3.24Å
748	Q	52.9	Low	51.2	Low	152 Å²	152	116.5 Å²	116.5	71%	0.71	57%	0.572	S	S	*	*	H	α-helix	trans	-72.3	-17	178.7	-156	-177.4	69.3	0	0	113.2	K744 L746	K744-Q748 WeakPolarHBondContact O-CB 3.44Å; K744-Q748 PolarHBondContact O-N 3.38Å; L746-Q748 VanDerWaalsContact C-N 3.33Å; L746-Q748 PolarHBondContact O-N 3.33Å
749	R	49.8	Very low	51.1	Low	189 Å²	189	113.9 Å²	113.9	71%	0.713	56%	0.561	S	S	*	*	H	α-helix	trans	-88.9	-29.6	169.5	-83.2	176.7	156.6	179.1	-4.2	113.5	S745 L746 L747 K751 K752	S745-R749 WeakPolarHBondContact O-CB 3.45Å; S745-R749 WeakPolarHBondContact O-CG 3.48Å; S745-R749 PolarHBondContact O-N 3.18Å; L746-R749 CarbonylContact O-C 3.57Å; L746-R749 PolarHBondContact O-N 3.29Å; L746-R749 VanDerWaalsContact O-N 3.07Å; L747-R749 PolarHBondContact O-N 3.43Å; R749-K751 VanDerWaalsContact C-N 3.29Å; R749-K752 PolarHBondContact O-N 3.22Å
750	A	46.6	Very low	51.1	Low	65 Å²	65	114 Å²	114	54%	0.537	56%	0.56	S	S	.	*	H	α-helix	trans	-70.6	-26.6	174.2	0	0	0	0	0	112.5	L746 L747 K752	L746-A750 PolarHBondContact O-N 2.87Å; L747-A750 PolarHBondContact O-N 3.11Å; A750-K752 PolarHBondContact O-N 3.18Å
751	K	45.3	Very low	51.2	Low	138 Å²	138	115.2 Å²	115.2	60%	0.6	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	24	172.8	-66.2	-171	173.7	-169.9	0	114.2	E725 L747 R749	E725-K751 WeakPolarHBondContact OE1-CE 3.38Å; E725-K751 IonicContact OE1-NZ 3.88Å; E725-K751 PolarHBondContact OE1-NZ 3.46Å; L747-K751 PolarHBondContact O-N 3.24Å; R749-K751 VanDerWaalsContact C-N 3.29Å
752	K	40.2	Very low	50.7	Low	226 Å²	226	116.6 Å²	116.6	98%	0.983	57%	0.567	S	S	*	*			trans	-140.4	0	177.3	-80.8	-171.6	174.2	178.1	0	112.6	R749 A750	R749-K752 PolarHBondContact O-N 3.22Å; A750-K752 PolarHBondContact O-N 3.18Å

Retrieved 752 of 752 residues in 4758.3 ms (Link to these results)

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