A0A087YLV8_POEFO Loading...

Creatine kinase S-type, mitochondrial

Reversibly catalyzes the transfer of phosphate between ATP and various phosphogens (e.g. creatine phosphate). Creatine kinase isoenzymes play a central role in energy transduction in tissues with large, fluctuating energy demands, such as skeletal muscle, heart, brain and spermatozoa.

AlphaFold DB , UniProt , Accession A0A087YLV8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 417 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.5	Very low	30.6	Very low	233 Å²	233	155.1 Å²	155.1	100%	1.148	85%	0.847	S	S	*	*				0	102.5	0	-70.3	-162.3	-84.2	0	0	107.6
2	S	31.9	Very low	30.6	Very low	122 Å²	122	162.8 Å²	162.8	85%	0.853	85%	0.854	S	S	*	*				69.2	121.5	121.8	66.6	0	0	0	0	114.4
3	G	29.4	Very low	30.8	Very low	76 Å²	76	159.9 Å²	159.9	78%	0.784	86%	0.856	S	S	*	*			cis	177.3	163.6	6.7	0	0	0	0	0	110.5
4	S	31.5	Very low	30.8	Very low	115 Å²	115	157.9 Å²	157.9	80%	0.804	85%	0.852	S	S	*	*			trans	-27.4	144.8	177.2	-61	0	0	0	0	120.2
5	F	31.7	Very low	31	Very low	212 Å²	212	153.5 Å²	153.5	93%	0.93	85%	0.846	S	S	*	*				-149	119	124.5	-114.4	-83.9	0	0	0	111.1
6	R	30.6	Very low	31	Very low	233 Å²	233	151.5 Å²	151.5	88%	0.879	84%	0.839	S	S	*	*			trans	-83.8	142	165.5	-86.2	179.2	170.8	177.4	-3.1	108.9
7	R	29.5	Very low	30.9	Very low	236 Å²	236	152.1 Å²	152.1	89%	0.891	84%	0.839	S	S	*	*			trans	-145.3	118	149.4	-122.3	-179.9	-165.9	-174.5	4.1	110.9
8	L	30	Very low	31	Very low	159 Å²	159	152.2 Å²	152.2	83%	0.832	84%	0.838	S	S	*	*			trans	-73.8	131.2	162.3	-101.1	121.1	0	0	0	109.5
9	I	31.9	Very low	31.1	Very low	148 Å²	148	149.1 Å²	149.1	76%	0.759	83%	0.834	S	S	*	*			trans	-156.7	98.4	146.6	-57	-171.8	0	0	0	106.1
10	S	28.2	Very low	31.1	Very low	102 Å²	102	147.2 Å²	147.2	71%	0.713	83%	0.831	S	S	*	*				55.8	113.4	102	103.6	0	0	0	0	116.4
11	G	27.9	Very low	31.2	Very low	70 Å²	70	149.3 Å²	149.3	72%	0.722	84%	0.839	S	S	*	*			trans	69.6	113.4	135.8	0	0	0	0	0	119
12	R	31.6	Very low	31.1	Very low	248 Å²	248	141.5 Å²	141.5	94%	0.936	82%	0.819	S	S	*	*				-179.6	124.2	113.6	-99.6	169.6	169.9	-175.7	-3.7	110.7
13	S	32.8	Very low	31.3	Very low	125 Å²	125	140.9 Å²	140.9	87%	0.874	82%	0.821	S	S	*	*			trans	-59.6	130	164.8	-45.9	0	0	0	0	109.8
14	T	30.7	Very low	31.6	Very low	132 Å²	132	141 Å²	141	81%	0.81	82%	0.822	S	S	*	*			trans	-111.8	97.6	164.4	-1.5	0	0	0	0	107.5
15	A	33.7	Very low	31.7	Very low	92 Å²	92	141.9 Å²	141.9	76%	0.76	82%	0.823	S	S	*	*			trans	-71.7	120.8	162.4	0	0	0	0	0	107.8
16	V	30.6	Very low	31.8	Very low	121 Å²	121	140.4 Å²	140.4	73%	0.733	82%	0.821	S	S	*	*			trans	-93.4	103.7	168.6	175.3	0	0	0	0	106.9	L18	V16-L18 HydrophobicContact CG1-CD1 4.02Å
17	L	30.4	Very low	32	Very low	161 Å²	161	134.1 Å²	134.1	84%	0.843	82%	0.819	S	S	*	*			trans	-87.9	105.4	169.6	-135.3	102.4	0	0	0	107.5
18	L	31.2	Very low	32.4	Very low	155 Å²	155	128.5 Å²	128.5	81%	0.812	81%	0.811	S	S	*	*			trans	-93	103	165.8	-109.9	126.8	0	0	0	108	V16	V16-L18 HydrophobicContact CG1-CD1 4.02Å
19	A	34.2	Very low	32.6	Very low	93 Å²	93	124.1 Å²	124.1	77%	0.769	81%	0.805	S	S	*	*			trans	-85.6	115.4	169	0	0	0	0	0	109.1
20	S	31.1	Very low	32.9	Very low	111 Å²	111	122.8 Å²	122.8	78%	0.776	80%	0.803	S	S	*	*			trans	-136.7	122.2	158.2	59	0	0	0	0	109.3
21	L	33.6	Very low	33.1	Very low	191 Å²	191	126.1 Å²	126.1	100%	1	81%	0.812	S	S	*	*			trans	-58.6	128.6	-175.2	-73	141.2	0	0	0	113
22	G	30	Very low	33.5	Very low	70 Å²	70	130.1 Å²	130.1	72%	0.722	82%	0.816	S	S	*	*			trans	-175	125.3	166.9	0	0	0	0	0	108.8	G24	G22-G24 PolarHBondContact O-N 3.28Å
23	A	36.8	Very low	33.6	Very low	109 Å²	109	122.7 Å²	122.7	90%	0.901	80%	0.802	S	S	*	*	S	Bend	trans	-59.3	132.6	-164.6	0	0	0	0	0	114.6
24	G	35.4	Very low	34	Very low	77 Å²	77	125.7 Å²	125.7	79%	0.794	80%	0.802	S	S	*	*			trans	79.7	62.5	146.3	0	0	0	0	0	117.8	G22	G22-G24 PolarHBondContact O-N 3.28Å
25	T	34.3	Very low	34.5	Very low	134 Å²	134	127.5 Å²	127.5	82%	0.822	81%	0.807	S	S	*	*			trans	-147.3	100.7	154.8	11.8	0	0	0	0	108.6	A27	T25-A27 VanDerWaalsContact C-N 3.33Å; T25-A27 PolarHBondContact O-N 3.25Å; T25-A27 VanDerWaalsContact O-N 3.07Å
26	M	33.5	Very low	34.8	Very low	182 Å²	182	125.3 Å²	125.3	90%	0.897	79%	0.794	S	S	*	*			trans	-75.4	91.5	167.6	-71.6	-103.6	-69	0	0	107	T28	M26-T28 VanDerWaalsContact C-N 3.34Å; M26-T28 PolarHBondContact O-N 2.84Å
27	A	34.1	Very low	35.6	Very low	101 Å²	101	124.4 Å²	124.4	84%	0.835	79%	0.792	S	S	*	*			trans	-72.7	92.6	167.3	0	0	0	0	0	108.1	T25 G29	T25-A27 VanDerWaalsContact C-N 3.33Å; T25-A27 PolarHBondContact O-N 3.25Å; T25-A27 VanDerWaalsContact O-N 3.07Å; A27-G29 VanDerWaalsContact C-N 3.32Å; A27-G29 PolarHBondContact O-N 3.11Å
28	T	39.1	Very low	37	Very low	117 Å²	117	120.7 Å²	120.7	72%	0.718	77%	0.773	S	S	*	*			trans	-74.3	90.4	170	-46.2	0	0	0	0	108	M26 V30	M26-T28 VanDerWaalsContact C-N 3.34Å; M26-T28 PolarHBondContact O-N 2.84Å; T28-V30 PolarHBondContact O-N 2.74Å
29	G	33.3	Very low	38.4	Very low	68 Å²	68	114.7 Å²	114.7	70%	0.701	75%	0.746	S	S	*	*			trans	-67.8	108.7	169.3	0	0	0	0	0	109.7	A27 L31	A27-G29 VanDerWaalsContact C-N 3.32Å; A27-G29 PolarHBondContact O-N 3.11Å; G29-L31 PolarHBondContact O-N 3.43Å; G29-L31 VanDerWaalsContact O-N 3.14Å
30	V	37.8	Very low	40.1	Very low	119 Å²	119	111.9 Å²	111.9	72%	0.721	72%	0.722	S	S	*	*			trans	-74.8	99.6	170.6	178.9	0	0	0	0	107.8	T28 L32	T28-V30 PolarHBondContact O-N 2.74Å; V30-L32 HydrophobicContact CG1-CD2 4.45Å; V30-L32 HydrophobicContact CG1-CG 4.18Å; V30-L32 PolarHBondContact O-N 2.88Å; V30-L32 VanDerWaalsContact O-N 3.17Å
31	L	33.1	Very low	42	Very low	173 Å²	173	115.4 Å²	115.4	91%	0.906	73%	0.727	S	S	*	*			trans	-72.2	97.3	159.7	-85	160	0	0	0	107.3	G29 S33	G29-L31 PolarHBondContact O-N 3.43Å; G29-L31 VanDerWaalsContact O-N 3.14Å; L31-S33 PolarHBondContact O-N 3.32Å
32	L	36.3	Very low	43.8	Very low	154 Å²	154	109.5 Å²	109.5	81%	0.806	71%	0.705	S	S	*	*			trans	-62.2	103.9	165.7	-78.3	163.1	0	0	0	108	V30 E34	V30-L32 HydrophobicContact CG1-CD2 4.45Å; V30-L32 HydrophobicContact CG1-CG 4.18Å; V30-L32 PolarHBondContact O-N 2.88Å; V30-L32 VanDerWaalsContact O-N 3.17Å; L32-E34 PolarHBondContact O-N 3.42Å
33	S	34.6	Very low	45.9	Very low	92 Å²	92	113.7 Å²	113.7	64%	0.643	70%	0.704	S	S	*	*			trans	-74.2	113.6	162.9	74.3	0	0	0	0	108.1	L31 N35	L31-S33 PolarHBondContact O-N 3.32Å; S33-N35 VanDerWaalsContact C-N 3.35Å; S33-N35 PolarHBondContact O-N 3.43Å
34	E	40.3	Very low	48	Very low	187 Å²	187	117.3 Å²	117.3	87%	0.874	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	95.9	163.3	-67.2	-178.9	149.8	0	0	108.2	L32	L32-E34 PolarHBondContact O-N 3.42Å
35	N	41.5	Very low	50.4	Low	170 Å²	170	117.2 Å²	117.2	91%	0.909	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	126.5	49.1	172.9	-70.2	-28.2	0	0	0	115.3	S33	S33-N35 VanDerWaalsContact C-N 3.35Å; S33-N35 PolarHBondContact O-N 3.43Å
36	G	39.2	Very low	53.1	Low	47 Å²	47	118.1 Å²	118.1	49%	0.485	68%	0.676	S	S	.	*			trans	-113.8	127.1	169.3	0	0	0	0	0	111.7	L38	G36-L38 PolarHBondContact O-N 3Å
37	S	47.4	Very low	56	Low	101 Å²	101	116.5 Å²	116.5	71%	0.706	66%	0.661	S	S	*	*			trans	-49	122.1	164.7	157.3	0	0	0	0	110	A39	S37-A39 PolarHBondContact O-N 2.91Å; S37-A39 PolarHBondContact OG-N 2.73Å; S37-A39 PolarHBondContact OG-O 2.78Å
38	L	60	Low	58.9	Low	83 Å²	83	115.1 Å²	115.1	44%	0.435	64%	0.643	S	S	.	*	S	Bend	trans	-70.9	-4.3	175.9	-74.3	165	0	0	0	113.4	G36 P81 E116	G36-L38 PolarHBondContact O-N 3Å; L38-P81 VanDerWaalsContact O-CD 3.32Å; L38-P81 WeakPolarHBondContact O-CD 3.38Å; L38-P81 WeakPolarHBondContact O-CG 3.38Å; L38-E116 VanDerWaalsContact CD1-OE1 3.24Å; L38-E116 WeakPolarHBondContact CD1-OE1 3.37Å; L38-E116 WeakPolarHBondContact CD1-OE2 3.41Å
39	A	59.9	Low	61.6	Low	29 Å²	29	111.2 Å²	111.2	24%	0.24	62%	0.62	C	S	.	*	S	Bend	trans	-92	136.7	168.6	0	0	0	0	0	110.7	S37 L79 V117	S37-A39 PolarHBondContact O-N 2.91Å; S37-A39 PolarHBondContact OG-N 2.73Å; S37-A39 PolarHBondContact OG-O 2.78Å; A39-L79 WeakPolarHBondContact CA-O 3.38Å; A39-V117 HydrophobicContact CB-CG1 4.39Å; A39-V117 HydrophobicContact CB-CG2 4.27Å
40	A	71.3	Confident	64.6	Low	34 Å²	34	112.4 Å²	112.4	28%	0.281	62%	0.618	S	S	.	*	B	Isolated β-bridge	trans	-66.5	164.7	166.8	0	0	0	0	0	110.8	A42 L79 T80	A40-A42 PolarHBondContact O-N 2.74Å; A40-L79 HydrophobicContact CB-CB 4.12Å; A40-L79 PolarHBondContact N-O 3.28Å; A40-T80 WeakPolarHBondContact CB-O 3.27Å
41	E	71.3	Confident	67.5	Low	186 Å²	186	110.4 Å²	110.4	87%	0.869	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-57.5	123.9	-179.6	-165.1	172.2	-171.2	0	0	110.8	K43	E41-K43 PolarHBondContact O-N 3.24Å
42	A	71.4	Confident	70.6	Confident	66 Å²	66	105.2 Å²	105.2	55%	0.545	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-62.6	128.8	-173.2	0	0	0	0	0	111.2	A40 K44 D77	A40-A42 PolarHBondContact O-N 2.74Å; A42-K44 PolarHBondContact O-N 3.2Å; A42-D77 WeakPolarHBondContact CA-O 3.31Å; A42-D77 WeakPolarHBondContact CB-O 3.47Å
43	K	74.1	Confident	73.5	Confident	158 Å²	158	101 Å²	101	69%	0.687	56%	0.558	S	S	*	*			trans	-93.2	93.6	176.5	-168.6	177	-176.8	177.2	0	109.5	E41 K45 D77 L79	E41-K43 PolarHBondContact O-N 3.24Å; K43-K45 PolarHBondContact O-N 3.48Å; K43-K45 VanDerWaalsContact O-N 3.14Å; K43-D77 PolarHBondContact N-O 3.14Å; K43-L79 HydrophobicContact CB-CD1 4.02Å
44	K	79.4	Confident	76.5	Confident	186 Å²	186	97.5 Å²	97.5	81%	0.809	53%	0.532	S	S	*	.			trans	-58.1	118.3	177.6	-168.2	174.4	-176.7	178.7	0	110.3	A42	A42-K44 PolarHBondContact O-N 3.2Å
45	K	86.9	Confident	79.3	Confident	74 Å²	74	93.1 Å²	93.1	32%	0.322	52%	0.515	S	S	.	.			trans	-80.1	161.6	177.7	-59	-167.1	-164.9	173.4	0	111.2	K43 D52 D87	K43-K45 PolarHBondContact O-N 3.48Å; K43-K45 VanDerWaalsContact O-N 3.14Å; K45-D52 IonicContact NZ-OD2 3.67Å; K45-D87 IonicContact NZ-OD2 2.8Å; K45-D87 PolarHBondContact NZ-OD2 2.93Å
46	L	91.1	Very high	82	Confident	153 Å²	153	86.2 Å²	86.2	80%	0.801	48%	0.478	S	S	*	.	S	Bend	trans	-63.7	-45.7	-174.9	-179.8	63.6	0	0	0	113.3
47	Y	94.6	Very high	84.7	Confident	148 Å²	148	94.1 Å²	94.1	58%	0.58	49%	0.493	S	S	*	.	S	Bend	trans	-91.5	152.6	-176.6	-68.5	-74	0	0	0	111.9	R76	Y47-R76 PolarHBondContact O-NH1 3.17Å; Y47-R76 PolarHBondContact O-NH2 3.43Å
48	P	95.4	Very high	87.1	Confident	73 Å²	73	98.5 Å²	98.5	47%	0.474	50%	0.499	S	S	.	.			trans	-59.6	147.6	174.4	26.9	-34.5	0	0	0	110.2	S50 S51	P48-S50 PolarHBondContact O-N 3.43Å; P48-S50 VanDerWaalsContact O-N 3.08Å; P48-S51 WeakPolarHBondContact O-CB 3.49Å; P48-S51 PolarHBondContact O-N 3.28Å
49	P	95.9	Very high	88.8	Confident	35 Å²	35	96.5 Å²	96.5	23%	0.227	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-56.2	-31.6	-175.6	-27.8	34.4	0	0	0	114.8	S51 D52 F53 Y72 A73	P49-S51 PolarHBondContact O-N 2.97Å; P49-D52 PolarHBondContact O-N 3.01Å; P49-F53 PolarHBondContact O-N 3.14Å; P49-Y72 VanDerWaalsContact O-CE1 3.24Å; P49-Y72 WeakPolarHBondContact O-CE1 3.37Å; P49-A73 HydrophobicContact CB-CB 3.81Å; P49-A73 HydrophobicContact CG-CB 4.19Å
50	S	96.4	Very high	90.5	Very high	93 Å²	93	99.9 Å²	99.9	65%	0.65	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-61.5	-25.7	177.6	54.7	0	0	0	0	113.9	P48 D52 F53	P48-S50 PolarHBondContact O-N 3.43Å; P48-S50 VanDerWaalsContact O-N 3.08Å; S50-D52 VanDerWaalsContact C-N 3.31Å; S50-F53 PolarHBondContact O-N 3.03Å
51	S	97.4	Very high	91.7	Very high	77 Å²	77	98.2 Å²	98.2	54%	0.538	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-73.7	-23	179.2	-65.7	0	0	0	0	113.2	P48 P49	P48-S51 WeakPolarHBondContact O-CB 3.49Å; P48-S51 PolarHBondContact O-N 3.28Å; P49-S51 PolarHBondContact O-N 2.97Å
52	D	97.6	Very high	92.9	Very high	64 Å²	64	89.6 Å²	89.6	34%	0.342	45%	0.448	S	S	.	.	S	Bend	trans	-99.4	0.4	175.7	-69.7	-17.1	0	0	0	112.3	K45 P49 S50 Y72 R76	K45-D52 IonicContact NZ-OD2 3.67Å; P49-D52 PolarHBondContact O-N 3.01Å; S50-D52 VanDerWaalsContact C-N 3.31Å; D52-Y72 HydrophobicContact CB-CE1 4.03Å; D52-Y72 VanDerWaalsContact CB-OH 3.27Å; D52-Y72 WeakPolarHBondContact CB-OH 3.47Å; D52-Y72 PolarHBondContact O-OH 3.21Å; D52-R76 IonicContact OD2-CZ 4Å; D52-R76 IonicContact OD2-NE 2.79Å; D52-R76 PolarHBondContact OD2-NE 2.86Å; D52-R76 IonicContact OD2-NH2 3.62Å; D52-R76 PolarHBondContact OD2-NH2 3.26Å
53	F	98.3	Very high	94.2	Very high	66 Å²	66	86.4 Å²	86.4	29%	0.289	42%	0.422	S	S	.	.			trans	-63.9	127.3	-178.4	-170.7	-93.3	0	0	0	110.6	P49 S50 L67 P69 Y72	P49-F53 PolarHBondContact O-N 3.14Å; S50-F53 PolarHBondContact O-N 3.03Å; F53-L67 HydrophobicContact CE2-CD2 4.11Å; F53-L67 HydrophobicContact CE2-CG 4.07Å; F53-L67 HydrophobicContact CZ-CD2 4.38Å; F53-L67 HydrophobicContact CZ-CG 4.39Å; F53-P69 HydrophobicContact CE1-CG 4.45Å; F53-P69 HydrophobicContact CE2-CB 4.43Å; F53-P69 HydrophobicContact CE2-CG 4.19Å; F53-P69 HydrophobicContact CZ-CG 4.1Å; F53-Y72 HydrophobicContact CB-CD1 4.19Å; F53-Y72 HydrophobicContact CB-CE1 4.38Å; F53-Y72 AromaticContact CD2-CD1 3.73Å; F53-Y72 HydrophobicContact CD2-CD1 3.73Å; F53-Y72 HydrophobicContact CD2-CD2 4.38Å; F53-Y72 AromaticContact CD2-CG 3.63Å; F53-Y72 HydrophobicContact CD2-CG 3.63Å; F53-Y72 HydrophobicContact CE2-CG 4.17Å; F53-Y72 HydrophobicContact CG-CD1 4.46Å
54	P	98.3	Very high	95.3	Very high	18 Å²	18	79.9 Å²	79.9	12%	0.117	40%	0.397	C	S	.	.			trans	-71.6	146.4	-173.5	28.5	-35.6	0	0	0	112.6	L56 L67 I90 V94	P54-L56 HydrophobicContact CB-CD2 4.03Å; P54-L56 HydrophobicContact CB-CG 4.06Å; P54-L56 HydrophobicContact CG-CD1 3.9Å; P54-L56 HydrophobicContact CG-CD2 4.25Å; P54-L56 HydrophobicContact CG-CG 3.95Å; P54-L56 PolarHBondContact O-N 3.34Å; P54-L67 HydrophobicContact CG-CD2 3.81Å; P54-I90 HydrophobicContact CG-CD1 4.32Å; P54-V94 HydrophobicContact CB-CG1 4.21Å; P54-V94 HydrophobicContact CB-CG2 3.9Å; P54-V94 HydrophobicContact CG-CG2 4.26Å
55	D	98.3	Very high	96.2	Very high	94 Å²	94	75.4 Å²	75.4	50%	0.503	39%	0.386	S	S	.	.			trans	-79.1	103.1	168.4	-178.6	7.3	0	0	0	110.4	R57 H59	D55-R57 WeakPolarHBondContact OD1-CB 3.41Å; D55-R57 VanDerWaalsContact OD1-CG 3.25Å; D55-R57 WeakPolarHBondContact OD1-CG 3.14Å; D55-R57 IonicContact OD1-CZ 3.91Å; D55-R57 PolarHBondContact OD1-N 3.48Å; D55-R57 IonicContact OD1-NE 3.22Å; D55-R57 PolarHBondContact OD1-NE 2.91Å; D55-R57 IonicContact OD1-NH2 3.38Å; D55-R57 IonicContact OD2-CZ 3.38Å; D55-R57 IonicContact OD2-NE 3.04Å; D55-R57 PolarHBondContact OD2-NE 3.11Å; D55-R57 IonicContact OD2-NH2 2.61Å; D55-R57 PolarHBondContact OD2-NH2 3.47Å; D55-H59 PolarHBondContact O-CE1 2.84Å
56	L	97.9	Very high	96.7	Very high	26 Å²	26	72.7 Å²	72.7	14%	0.136	38%	0.377	C	S	.	.			trans	-108.5	16.5	-176.8	-58.6	179.6	0	0	0	113.4	P54 K58 H59 M63 A64 L67 V94	P54-L56 HydrophobicContact CB-CD2 4.03Å; P54-L56 HydrophobicContact CB-CG 4.06Å; P54-L56 HydrophobicContact CG-CD1 3.9Å; P54-L56 HydrophobicContact CG-CD2 4.25Å; P54-L56 HydrophobicContact CG-CG 3.95Å; P54-L56 PolarHBondContact O-N 3.34Å; L56-K58 PolarHBondContact O-N 3.16Å; L56-H59 HydrophobicContact CB-CB 4.28Å; L56-H59 HydrophobicContact CD2-CB 4.43Å; L56-H59 WeakPolarHBondContact O-CB 3.38Å; L56-H59 PolarHBondContact O-N 3Å; L56-H59 VanDerWaalsContact O-N 3.11Å; L56-M63 HydrophobicContact CD1-CE 4.39Å; L56-M63 HydrophobicContact CD1-SD 4.17Å; L56-M63 HydrophobicContact CD2-CE 4.45Å; L56-A64 HydrophobicContact CB-CB 4.22Å; L56-A64 HydrophobicContact CD1-CB 3.97Å; L56-A64 HydrophobicContact CG-CB 4.49Å; L56-L67 HydrophobicContact CD1-CD2 3.91Å; L56-V94 HydrophobicContact CD2-CG2 4.28Å
57	R	96.9	Very high	97.1	Very high	213 Å²	213	66 Å²	66	80%	0.804	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.4	-172.9	-71.4	176.2	-65.9	173.2	0.2	114.7	D55	D55-R57 WeakPolarHBondContact OD1-CB 3.41Å; D55-R57 VanDerWaalsContact OD1-CG 3.25Å; D55-R57 WeakPolarHBondContact OD1-CG 3.14Å; D55-R57 IonicContact OD1-CZ 3.91Å; D55-R57 PolarHBondContact OD1-N 3.48Å; D55-R57 IonicContact OD1-NE 3.22Å; D55-R57 PolarHBondContact OD1-NE 2.91Å; D55-R57 IonicContact OD1-NH2 3.38Å; D55-R57 IonicContact OD2-CZ 3.38Å; D55-R57 IonicContact OD2-NE 3.04Å; D55-R57 PolarHBondContact OD2-NE 3.11Å; D55-R57 IonicContact OD2-NH2 2.61Å; D55-R57 PolarHBondContact OD2-NH2 3.47Å
58	K	96.1	Very high	97.3	Very high	192 Å²	192	61.7 Å²	61.7	84%	0.835	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	14.6	-178.2	-62.4	-176.1	-178.8	178	0	112.7	L56	L56-K58 PolarHBondContact O-N 3.16Å
59	H	97	Very high	97.4	Very high	42 Å²	42	62.5 Å²	62.5	19%	0.194	34%	0.336	C	S	.	.			trans	-98.6	138.2	-172	-68.3	57.8	0	0	0	112	D55 L56 A64 G93 V94 P97	D55-H59 PolarHBondContact O-CE1 2.84Å; L56-H59 HydrophobicContact CB-CB 4.28Å; L56-H59 HydrophobicContact CD2-CB 4.43Å; L56-H59 WeakPolarHBondContact O-CB 3.38Å; L56-H59 PolarHBondContact O-N 3Å; L56-H59 VanDerWaalsContact O-N 3.11Å; H59-A64 HydrophobicContact CB-CB 3.71Å; H59-G93 PolarHBondContact CD2-O 3.25Å; H59-V94 PolarHBondContact NE2-O 3.18Å; H59-P97 CarbonylContact C-O 3.55Å; H59-P97 WeakPolarHBondContact CA-O 3.49Å; H59-P97 VanDerWaalsContact CD2-CA 3.45Å; H59-P97 WeakPolarHBondContact CD2-CA 3.4Å
60	N	95.1	Very high	97.5	Very high	99 Å²	99	64.3 Å²	64.3	53%	0.529	36%	0.355	S	S	.	.			trans	-129	72.5	176.5	-176.6	22.8	0	0	0	110.1	P97	N60-P97 PolarHBondContact N-O 2.96Å
61	N	96.4	Very high	97.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-139.7	163.7	171.3	62.1	57.9	0	0	0	110.2	M63 A64 T65 G93 N96 T104	N61-M63 VanDerWaalsContact C-N 3.34Å; N61-M63 PolarHBondContact O-N 3.32Å; N61-M63 PolarHBondContact OD1-N 3.21Å; N61-A64 PolarHBondContact O-N 2.92Å; N61-A64 WeakPolarHBondContact OD1-CB 3.48Å; N61-A64 PolarHBondContact OD1-N 3.5Å; N61-T65 PolarHBondContact O-N 3.18Å; N61-T65 PolarHBondContact O-OG1 3.48Å; N61-G93 PolarHBondContact ND2-O 2.95Å; N61-N96 PolarHBondContact ND2-O 3.38Å; N61-T104 WeakPolarHBondContact CA-O 3.49Å; N61-T104 WeakPolarHBondContact CB-O 3.42Å; N61-T104 WeakPolarHBondContact CB-OG1 3.39Å
62	C	96.9	Very high	97.7	Very high	4 Å²	4	57.8 Å²	57.8	3%	0.027	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-40.6	-174.1	-54.6	0	0	0	0	111.6	T65 A66 T104 V105 V125	C62-T65 WeakPolarHBondContact O-CB 3.41Å; C62-T65 PolarHBondContact O-N 3.34Å; C62-A66 PolarHBondContact O-N 3.26Å; C62-T104 PolarHBondContact N-O 3.31Å; C62-T104 PolarHBondContact SG-O 3.28Å; C62-V105 CarbonylContact C-O 3.57Å; C62-V105 WeakPolarHBondContact CB-O 3.32Å; C62-V105 PolarHBondContact N-O 2.85Å; C62-V105 VanDerWaalsContact N-O 3.16Å; C62-V125 HydrophobicContact CB-CG1 3.95Å
63	M	98.4	Very high	97.7	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-57.7	-49.4	176.6	179.9	-77.1	-67.7	0	0	111.3	L56 N61 T65 A66 L67 I90 V94 V105 G106 C107 L121	L56-M63 HydrophobicContact CD1-CE 4.39Å; L56-M63 HydrophobicContact CD1-SD 4.17Å; L56-M63 HydrophobicContact CD2-CE 4.45Å; N61-M63 VanDerWaalsContact C-N 3.34Å; N61-M63 PolarHBondContact O-N 3.32Å; N61-M63 PolarHBondContact OD1-N 3.21Å; M63-T65 PolarHBondContact O-N 2.92Å; M63-A66 PolarHBondContact O-N 3.09Å; M63-L67 WeakPolarHBondContact O-CB 3.48Å; M63-L67 PolarHBondContact O-N 2.95Å; M63-L67 HydrophobicContact SD-CB 4.12Å; M63-L67 HydrophobicContact SD-CD2 4.01Å; M63-I90 HydrophobicContact CE-CB 4Å; M63-I90 HydrophobicContact CG-CB 4.05Å; M63-I90 HydrophobicContact CG-CG2 3.71Å; M63-I90 HydrophobicContact SD-CB 3.94Å; M63-I90 HydrophobicContact SD-CG2 3.98Å; M63-V94 HydrophobicContact CE-CG2 4.15Å; M63-V105 WeakPolarHBondContact CB-O 3.32Å; M63-V105 PolarHBondContact N-O 3.43Å; M63-G106 WeakPolarHBondContact CB-O 3.37Å; M63-G106 WeakPolarHBondContact CG-O 3.23Å; M63-C107 HydrophobicContact CB-CB 4.24Å; M63-C107 HydrophobicContact CG-CB 4.1Å; M63-L121 HydrophobicContact CG-CD2 4.37Å
64	A	98	Very high	97.6	Very high	20 Å²	20	59.3 Å²	59.3	17%	0.165	32%	0.319	C	S	.	.	H	α-helix	trans	-64.2	-28.3	179.1	0	0	0	0	0	113.3	L56 H59 N61	L56-A64 HydrophobicContact CB-CB 4.22Å; L56-A64 HydrophobicContact CD1-CB 3.97Å; L56-A64 HydrophobicContact CG-CB 4.49Å; H59-A64 HydrophobicContact CB-CB 3.71Å; N61-A64 PolarHBondContact O-N 2.92Å; N61-A64 WeakPolarHBondContact OD1-CB 3.48Å; N61-A64 PolarHBondContact OD1-N 3.5Å
65	T	97.1	Very high	97.6	Very high	93 Å²	93	58.5 Å²	58.5	57%	0.571	31%	0.313	S	S	*	.	H	α-helix	trans	-72.8	-34.7	174	-51.2	0	0	0	0	111.7	N61 C62 M63	N61-T65 PolarHBondContact O-N 3.18Å; N61-T65 PolarHBondContact O-OG1 3.48Å; C62-T65 WeakPolarHBondContact O-CB 3.41Å; C62-T65 PolarHBondContact O-N 3.34Å; M63-T65 PolarHBondContact O-N 2.92Å
66	A	97.9	Very high	97.6	Very high	17 Å²	17	54.2 Å²	54.2	14%	0.14	29%	0.29	C	S	.	.	H	α-helix	trans	-90.7	-28.8	-174.3	0	0	0	0	0	114	C62 M63 I71 L121 P124 V125	C62-A66 PolarHBondContact O-N 3.26Å; M63-A66 PolarHBondContact O-N 3.09Å; A66-I71 WeakPolarHBondContact O-CD1 3.39Å; A66-L121 HydrophobicContact CB-CD1 4.07Å; A66-P124 HydrophobicContact CB-CB 4.09Å; A66-P124 HydrophobicContact CB-CG 4.07Å; A66-V125 HydrophobicContact CB-CG2 3.64Å
67	L	98.6	Very high	97.5	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.068	29%	0.292	C	S	.	.			trans	-71.6	131.6	-175.2	-170.1	68	0	0	0	111.2	F53 P54 L56 M63 I71 Y72 I90 L121	F53-L67 HydrophobicContact CE2-CD2 4.11Å; F53-L67 HydrophobicContact CE2-CG 4.07Å; F53-L67 HydrophobicContact CZ-CD2 4.38Å; F53-L67 HydrophobicContact CZ-CG 4.39Å; P54-L67 HydrophobicContact CG-CD2 3.81Å; L56-L67 HydrophobicContact CD1-CD2 3.91Å; M63-L67 WeakPolarHBondContact O-CB 3.48Å; M63-L67 PolarHBondContact O-N 2.95Å; M63-L67 HydrophobicContact SD-CB 4.12Å; M63-L67 HydrophobicContact SD-CD2 4.01Å; L67-I71 HydrophobicContact CD1-CG2 4.27Å; L67-Y72 HydrophobicContact CD1-CD2 4.29Å; L67-Y72 HydrophobicContact CD2-CD2 4.33Å; L67-I90 HydrophobicContact CD2-CD1 4.08Å; L67-L121 HydrophobicContact CB-CD1 4.15Å; L67-L121 HydrophobicContact CD1-CD1 3.98Å; L67-L121 HydrophobicContact CD1-CD2 4.28Å
68	T	98.6	Very high	97.5	Very high	56 Å²	56	47.6 Å²	47.6	34%	0.344	27%	0.268	S	S	.	.			trans	-128.2	157.9	174.9	65.4	0	0	0	0	110.3	A70 I71 Y72	T68-A70 PolarHBondContact O-N 2.92Å; T68-I71 HydrophobicContact CG2-CD1 4.35Å; T68-I71 PolarHBondContact O-N 2.66Å; T68-I71 VanDerWaalsContact O-N 3.16Å; T68-I71 VanDerWaalsContact OG1-CG1 3.3Å; T68-I71 WeakPolarHBondContact OG1-CG1 3.41Å; T68-I71 PolarHBondContact OG1-N 2.97Å; T68-Y72 WeakPolarHBondContact O-CB 3.34Å; T68-Y72 PolarHBondContact O-N 2.75Å
69	P	98.4	Very high	97.5	Very high	90 Å²	90	39.4 Å²	39.4	58%	0.584	23%	0.233	S	C	*	.	H	α-helix	trans	-53.9	-35.8	174.7	-28.8	36.3	0	0	0	113.3	F53 A73	F53-P69 HydrophobicContact CE1-CG 4.45Å; F53-P69 HydrophobicContact CE2-CB 4.43Å; F53-P69 HydrophobicContact CE2-CG 4.19Å; F53-P69 HydrophobicContact CZ-CG 4.1Å; P69-A73 VanDerWaalsContact O-CB 3.24Å; P69-A73 WeakPolarHBondContact O-CB 3.36Å; P69-A73 PolarHBondContact O-N 2.95Å
70	A	98.4	Very high	97.5	Very high	74 Å²	74	37.4 Å²	37.4	61%	0.612	22%	0.224	S	C	*	.	H	α-helix	trans	-68.5	-46.8	177.6	0	0	0	0	0	112.5	T68 K74	T68-A70 PolarHBondContact O-N 2.92Å; A70-K74 WeakPolarHBondContact O-CB 3.49Å; A70-K74 PolarHBondContact O-N 3.24Å; A70-K74 VanDerWaalsContact O-N 3.11Å
71	I	98.5	Very high	97.6	Very high	29 Å²	29	35.5 Å²	35.5	15%	0.149	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-47.2	176.2	-69.2	168.7	0	0	0	109.8	A66 L67 T68 K74 L75 L121	A66-I71 WeakPolarHBondContact O-CD1 3.39Å; L67-I71 HydrophobicContact CD1-CG2 4.27Å; T68-I71 HydrophobicContact CG2-CD1 4.35Å; T68-I71 PolarHBondContact O-N 2.66Å; T68-I71 VanDerWaalsContact O-N 3.16Å; T68-I71 VanDerWaalsContact OG1-CG1 3.3Å; T68-I71 WeakPolarHBondContact OG1-CG1 3.41Å; T68-I71 PolarHBondContact OG1-N 2.97Å; I71-K74 PolarHBondContact O-N 3.28Å; I71-L75 HydrophobicContact CG2-CD1 3.68Å; I71-L75 HydrophobicContact CG2-CG 4.33Å; I71-L75 WeakPolarHBondContact O-CB 3.23Å; I71-L75 WeakPolarHBondContact O-CG 3.21Å; I71-L75 PolarHBondContact O-N 3.11Å; I71-L121 HydrophobicContact CG2-CB 4.13Å
72	Y	98.6	Very high	97.6	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-48.9	180	-171.8	-100.3	0	0	0	111.7	P49 D52 F53 L67 T68 K74 L75 R76 L86 D87 I90	P49-Y72 VanDerWaalsContact O-CE1 3.24Å; P49-Y72 WeakPolarHBondContact O-CE1 3.37Å; D52-Y72 HydrophobicContact CB-CE1 4.03Å; D52-Y72 VanDerWaalsContact CB-OH 3.27Å; D52-Y72 WeakPolarHBondContact CB-OH 3.47Å; D52-Y72 PolarHBondContact O-OH 3.21Å; F53-Y72 HydrophobicContact CB-CD1 4.19Å; F53-Y72 HydrophobicContact CB-CE1 4.38Å; F53-Y72 AromaticContact CD2-CD1 3.73Å; F53-Y72 HydrophobicContact CD2-CD1 3.73Å; F53-Y72 HydrophobicContact CD2-CD2 4.38Å; F53-Y72 AromaticContact CD2-CG 3.63Å; F53-Y72 HydrophobicContact CD2-CG 3.63Å; F53-Y72 HydrophobicContact CE2-CG 4.17Å; F53-Y72 HydrophobicContact CG-CD1 4.46Å; L67-Y72 HydrophobicContact CD1-CD2 4.29Å; L67-Y72 HydrophobicContact CD2-CD2 4.33Å; T68-Y72 WeakPolarHBondContact O-CB 3.34Å; T68-Y72 PolarHBondContact O-N 2.75Å; Y72-K74 PolarHBondContact O-N 2.92Å; Y72-L75 PolarHBondContact O-N 2.66Å; Y72-R76 HydrophobicContact CD1-CB 4.45Å; Y72-R76 HydrophobicContact CE1-CB 4.19Å; Y72-R76 HydrophobicContact CE1-CG 4.15Å; Y72-R76 WeakPolarHBondContact O-CB 3.46Å; Y72-R76 PolarHBondContact O-N 3.41Å; Y72-L86 HydrophobicContact CD2-CD2 3.61Å; Y72-L86 HydrophobicContact CE2-CD2 3.95Å; Y72-L86 HydrophobicContact CG-CD2 4.42Å; Y72-D87 VanDerWaalsContact CE2-OD1 3.28Å; Y72-D87 WeakPolarHBondContact CE2-OD1 3.37Å; Y72-D87 PolarHBondContact OH-OD1 3.17Å; Y72-I90 HydrophobicContact CD2-CD1 4.48Å; Y72-I90 HydrophobicContact CE2-CD1 4.14Å
73	A	97.8	Very high	97.6	Very high	49 Å²	49	44.3 Å²	44.3	41%	0.405	26%	0.263	S	S	.	.	H	α-helix	trans	-60.1	-33.9	178.6	0	0	0	0	0	113.4	P49 P69	P49-A73 HydrophobicContact CB-CB 3.81Å; P49-A73 HydrophobicContact CG-CB 4.19Å; P69-A73 VanDerWaalsContact O-CB 3.24Å; P69-A73 WeakPolarHBondContact O-CB 3.36Å; P69-A73 PolarHBondContact O-N 2.95Å
74	K	97.4	Very high	97.5	Very high	114 Å²	114	44.8 Å²	44.8	50%	0.496	27%	0.265	S	S	.	.	H	α-helix	trans	-76	-32.3	178.7	-174.6	173.9	179.1	-173.4	0	113.6	A70 I71 Y72 E120	A70-K74 WeakPolarHBondContact O-CB 3.49Å; A70-K74 PolarHBondContact O-N 3.24Å; A70-K74 VanDerWaalsContact O-N 3.11Å; I71-K74 PolarHBondContact O-N 3.28Å; Y72-K74 PolarHBondContact O-N 2.92Å; K74-E120 WeakPolarHBondContact CD-OE1 3.46Å; K74-E120 WeakPolarHBondContact CD-OE2 3.3Å; K74-E120 WeakPolarHBondContact CE-OE1 3.46Å; K74-E120 WeakPolarHBondContact CE-OE2 3.49Å; K74-E120 IonicContact NZ-OE1 3.71Å; K74-E120 PolarHBondContact NZ-OE1 3.03Å; K74-E120 IonicContact NZ-OE2 3.37Å; K74-E120 PolarHBondContact NZ-OE2 3.08Å
75	L	97.6	Very high	97.6	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-104.1	-23.7	-170.5	-65.4	-174.9	0	0	0	114	I71 Y72 D77 K78 L86 F118 E120 L121	I71-L75 HydrophobicContact CG2-CD1 3.68Å; I71-L75 HydrophobicContact CG2-CG 4.33Å; I71-L75 WeakPolarHBondContact O-CB 3.23Å; I71-L75 WeakPolarHBondContact O-CG 3.21Å; I71-L75 PolarHBondContact O-N 3.11Å; Y72-L75 PolarHBondContact O-N 2.66Å; L75-D77 VanDerWaalsContact C-N 3.29Å; L75-D77 PolarHBondContact O-N 3.25Å; L75-K78 HydrophobicContact CD2-CD 3.94Å; L75-K78 WeakPolarHBondContact O-CB 3.21Å; L75-K78 PolarHBondContact O-N 3.33Å; L75-L86 HydrophobicContact CB-CD1 4.3Å; L75-L86 HydrophobicContact CB-CD2 3.66Å; L75-L86 HydrophobicContact CB-CG 4.41Å; L75-L86 HydrophobicContact CD1-CD1 4.27Å; L75-F118 HydrophobicContact CB-CD1 4.29Å; L75-F118 HydrophobicContact CD1-CB 4.38Å; L75-E120 HydrophobicContact CD1-CB 4.16Å; L75-L121 HydrophobicContact CD1-CB 4.09Å
76	R	97.1	Very high	97.6	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.011	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-42.2	-171.9	173.3	-174.2	165.2	-114	22.5	114.3	Y47 D52 Y72 K78	Y47-R76 PolarHBondContact O-NH1 3.17Å; Y47-R76 PolarHBondContact O-NH2 3.43Å; D52-R76 IonicContact OD2-CZ 4Å; D52-R76 IonicContact OD2-NE 2.79Å; D52-R76 PolarHBondContact OD2-NE 2.86Å; D52-R76 IonicContact OD2-NH2 3.62Å; D52-R76 PolarHBondContact OD2-NH2 3.26Å; Y72-R76 HydrophobicContact CD1-CB 4.45Å; Y72-R76 HydrophobicContact CE1-CB 4.19Å; Y72-R76 HydrophobicContact CE1-CG 4.15Å; Y72-R76 WeakPolarHBondContact O-CB 3.46Å; Y72-R76 PolarHBondContact O-N 3.41Å; R76-K78 VanDerWaalsContact C-N 3.35Å
77	D	96.1	Very high	97.7	Very high	33 Å²	33	41.4 Å²	41.4	18%	0.176	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	1.1	-174.4	-65.2	-3.1	0	0	0	112.3	A42 K43 L75	A42-D77 WeakPolarHBondContact CA-O 3.31Å; A42-D77 WeakPolarHBondContact CB-O 3.47Å; K43-D77 PolarHBondContact N-O 3.14Å; L75-D77 VanDerWaalsContact C-N 3.29Å; L75-D77 PolarHBondContact O-N 3.25Å
78	K	96.4	Very high	97.7	Very high	68 Å²	68	43.8 Å²	43.8	30%	0.296	25%	0.25	S	S	.	.			trans	-79.3	148.5	174.5	-64.8	-167.8	179	-174.9	0	111.2	L75 R76 V117 F118	L75-K78 HydrophobicContact CD2-CD 3.94Å; L75-K78 WeakPolarHBondContact O-CB 3.21Å; L75-K78 PolarHBondContact O-N 3.33Å; R76-K78 VanDerWaalsContact C-N 3.35Å; K78-V117 HydrophobicContact CB-CG1 3.94Å; K78-V117 HydrophobicContact CD-CG1 4.23Å; K78-F118 HydrophobicContact CB-CE1 4.07Å
79	L	97	Very high	97.7	Very high	20 Å²	20	41.1 Å²	41.1	11%	0.105	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-128.6	143.5	177.7	-65.3	172.8	0	0	0	109.9	A39 A40 K43 W84 T85	A39-L79 WeakPolarHBondContact CA-O 3.38Å; A40-L79 HydrophobicContact CB-CB 4.12Å; A40-L79 PolarHBondContact N-O 3.28Å; K43-L79 HydrophobicContact CB-CD1 4.02Å; L79-W84 WeakPolarHBondContact CA-O 3Å; L79-T85 HydrophobicContact CD2-CG2 3.4Å
80	T	97.9	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.			trans	-71.6	166.4	162.6	70.7	0	0	0	0	109.8	A40 N82 N83 W84 D111 V117 F118	A40-T80 WeakPolarHBondContact CB-O 3.27Å; T80-N82 PolarHBondContact O-N 3.09Å; T80-N82 VanDerWaalsContact O-N 3.11Å; T80-N82 PolarHBondContact OG1-N 2.83Å; T80-N83 PolarHBondContact O-N 2.62Å; T80-W84 HydrophobicContact CG2-CB 3.94Å; T80-W84 PolarHBondContact N-O 2.82Å; T80-W84 VanDerWaalsContact N-O 3.08Å; T80-W84 VanDerWaalsContact OG1-CB 3.24Å; T80-W84 WeakPolarHBondContact OG1-CB 3.32Å; T80-W84 PolarHBondContact OG1-N 3.36Å; T80-D111 WeakPolarHBondContact CB-OD2 3.45Å; T80-D111 WeakPolarHBondContact CG2-OD1 3.41Å; T80-D111 PolarHBondContact OG1-OD2 3.12Å; T80-V117 HydrophobicContact CG2-CB 4.33Å; T80-V117 HydrophobicContact CG2-CG2 4.31Å; T80-F118 HydrophobicContact CG2-CE2 3.65Å; T80-F118 HydrophobicContact CG2-CZ 4.22Å
81	P	97.3	Very high	97.7	Very high	58 Å²	58	36.5 Å²	36.5	38%	0.377	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.3	175.5	-28	38.5	0	0	0	113.6	L38 N83 E113	L38-P81 VanDerWaalsContact O-CD 3.32Å; L38-P81 WeakPolarHBondContact O-CD 3.38Å; L38-P81 WeakPolarHBondContact O-CG 3.38Å; P81-N83 VanDerWaalsContact C-N 3.35Å; P81-E113 HydrophobicContact CG-CB 4.47Å; P81-E113 HydrophobicContact CG-CG 3.98Å
82	N	95.4	Very high	97.7	Very high	84 Å²	84	35.4 Å²	35.4	45%	0.449	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	18.9	178.6	-61.8	-46.4	0	0	0	113.7	T80 W84	T80-N82 PolarHBondContact O-N 3.09Å; T80-N82 VanDerWaalsContact O-N 3.11Å; T80-N82 PolarHBondContact OG1-N 2.83Å; N82-W84 VanDerWaalsContact C-N 3.29Å; N82-W84 PolarHBondContact O-N 3.03Å
83	N	96.3	Very high	97.7	Very high	106 Å²	106	35.3 Å²	35.3	57%	0.567	19%	0.187	S	C	*	.			trans	63.2	26.7	178	-53.5	-72.4	0	0	0	115	T80 P81	T80-N83 PolarHBondContact O-N 2.62Å; P81-N83 VanDerWaalsContact C-N 3.35Å
84	W	98	Very high	97.7	Very high	10 Å²	10	34.9 Å²	34.9	4%	0.038	18%	0.179	C	C	.	.			trans	-77.5	140.1	169.6	-165.2	-112	0	0	0	110.5	L79 T80 N82 Q88 C89 P177 A178 F239	L79-W84 WeakPolarHBondContact CA-O 3Å; T80-W84 HydrophobicContact CG2-CB 3.94Å; T80-W84 PolarHBondContact N-O 2.82Å; T80-W84 VanDerWaalsContact N-O 3.08Å; T80-W84 VanDerWaalsContact OG1-CB 3.24Å; T80-W84 WeakPolarHBondContact OG1-CB 3.32Å; T80-W84 PolarHBondContact OG1-N 3.36Å; N82-W84 VanDerWaalsContact C-N 3.29Å; N82-W84 PolarHBondContact O-N 3.03Å; W84-Q88 HydrophobicContact CD2-CB 3.84Å; W84-Q88 HydrophobicContact CE3-CB 3.95Å; W84-Q88 VanDerWaalsContact CE3-CD 3.48Å; W84-Q88 HydrophobicContact CE3-CG 4.27Å; W84-Q88 HydrophobicContact CH2-CB 3.61Å; W84-Q88 HydrophobicContact CH2-CG 4.25Å; W84-Q88 HydrophobicContact CZ2-CB 3.45Å; W84-Q88 VanDerWaalsContact CZ2-CB 3.45Å; W84-Q88 HydrophobicContact CZ3-CB 3.84Å; W84-Q88 HydrophobicContact CZ3-CG 4.1Å; W84-C89 PolarHBondContact NE1-SG 2.98Å; W84-P177 HydrophobicContact CH2-CB 3.65Å; W84-P177 HydrophobicContact CZ2-CB 3.78Å; W84-A178 HydrophobicContact CD2-CB 4.05Å; W84-A178 HydrophobicContact CE3-CB 3.44Å; W84-A178 VanDerWaalsContact CE3-CB 3.44Å; W84-A178 HydrophobicContact CH2-CB 4.23Å; W84-A178 HydrophobicContact CZ3-CB 3.55Å; W84-F239 AromaticContact CH2-CD2 3.98Å; W84-F239 HydrophobicContact CH2-CD2 3.98Å; W84-F239 HydrophobicContact CH2-CE2 4.39Å
85	T	98.4	Very high	97.8	Very high	26 Å²	26	33 Å²	33	16%	0.16	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-114.2	161.8	-172.9	61.5	0	0	0	0	112.4	L79 D87 Q88 C89	L79-T85 HydrophobicContact CD2-CG2 3.4Å; T85-D87 VanDerWaalsContact C-N 3.31Å; T85-D87 PolarHBondContact O-N 3.46Å; T85-Q88 PolarHBondContact O-N 3.33Å; T85-Q88 WeakPolarHBondContact OG1-CB 3.42Å; T85-Q88 VanDerWaalsContact OG1-CD 3.32Å; T85-Q88 VanDerWaalsContact OG1-CG 3.22Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.41Å; T85-Q88 PolarHBondContact OG1-N 3.49Å; T85-Q88 PolarHBondContact OG1-OE1 2.94Å; T85-C89 PolarHBondContact O-N 3.07Å; T85-C89 VanDerWaalsContact O-N 3.09Å; T85-C89 PolarHBondContact O-SG 3.43Å; T85-C89 VanDerWaalsContact O-SG 3.38Å
86	L	98.6	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.7	-43	171.2	-178	68.5	0	0	0	112.4	Y72 L75 Q88 C89 I90 F118 L121	Y72-L86 HydrophobicContact CD2-CD2 3.61Å; Y72-L86 HydrophobicContact CE2-CD2 3.95Å; Y72-L86 HydrophobicContact CG-CD2 4.42Å; L75-L86 HydrophobicContact CB-CD1 4.3Å; L75-L86 HydrophobicContact CB-CD2 3.66Å; L75-L86 HydrophobicContact CB-CG 4.41Å; L75-L86 HydrophobicContact CD1-CD1 4.27Å; L86-Q88 VanDerWaalsContact C-N 3.29Å; L86-Q88 PolarHBondContact O-N 3.23Å; L86-C89 VanDerWaalsContact O-CB 3.29Å; L86-C89 WeakPolarHBondContact O-CB 3.3Å; L86-C89 PolarHBondContact O-N 2.93Å; L86-C89 VanDerWaalsContact O-N 3.1Å; L86-I90 HydrophobicContact CD1-CG2 4.36Å; L86-I90 PolarHBondContact O-N 3.36Å; L86-I90 VanDerWaalsContact O-N 3.09Å; L86-F118 HydrophobicContact CB-CD1 4.09Å; L86-F118 HydrophobicContact CB-CE1 3.89Å; L86-F118 HydrophobicContact CD1-CB 4.43Å; L86-F118 HydrophobicContact CD1-CD1 4.03Å; L86-F118 HydrophobicContact CD1-CG 4.33Å; L86-L121 HydrophobicContact CD1-CD2 3.69Å
87	D	98.6	Very high	97.6	Very high	33 Å²	33	36.6 Å²	36.6	18%	0.176	20%	0.197	C	C	.	.	H	α-helix	trans	-61.9	-40.9	-178.1	-66.9	-36.1	0	0	0	110.9	K45 Y72 T85 C89 I90 Q91	K45-D87 IonicContact NZ-OD2 2.8Å; K45-D87 PolarHBondContact NZ-OD2 2.93Å; Y72-D87 VanDerWaalsContact CE2-OD1 3.28Å; Y72-D87 WeakPolarHBondContact CE2-OD1 3.37Å; Y72-D87 PolarHBondContact OH-OD1 3.17Å; T85-D87 VanDerWaalsContact C-N 3.31Å; T85-D87 PolarHBondContact O-N 3.46Å; D87-C89 PolarHBondContact O-N 3.23Å; D87-I90 PolarHBondContact O-N 3.03Å; D87-Q91 WeakPolarHBondContact O-CB 3.13Å; D87-Q91 PolarHBondContact O-N 3.28Å
88	Q	98.7	Very high	97	Very high	63 Å²	63	36.7 Å²	36.7	29%	0.294	21%	0.205	S	C	.	.	H	α-helix	trans	-65.8	-36.2	174.6	-69.8	166.8	-58.1	0	0	112.5	W84 T85 L86 I90	W84-Q88 HydrophobicContact CD2-CB 3.84Å; W84-Q88 HydrophobicContact CE3-CB 3.95Å; W84-Q88 VanDerWaalsContact CE3-CD 3.48Å; W84-Q88 HydrophobicContact CE3-CG 4.27Å; W84-Q88 HydrophobicContact CH2-CB 3.61Å; W84-Q88 HydrophobicContact CH2-CG 4.25Å; W84-Q88 HydrophobicContact CZ2-CB 3.45Å; W84-Q88 VanDerWaalsContact CZ2-CB 3.45Å; W84-Q88 HydrophobicContact CZ3-CB 3.84Å; W84-Q88 HydrophobicContact CZ3-CG 4.1Å; T85-Q88 PolarHBondContact O-N 3.33Å; T85-Q88 WeakPolarHBondContact OG1-CB 3.42Å; T85-Q88 VanDerWaalsContact OG1-CD 3.32Å; T85-Q88 VanDerWaalsContact OG1-CG 3.22Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.41Å; T85-Q88 PolarHBondContact OG1-N 3.49Å; T85-Q88 PolarHBondContact OG1-OE1 2.94Å; L86-Q88 VanDerWaalsContact C-N 3.29Å; L86-Q88 PolarHBondContact O-N 3.23Å; Q88-I90 VanDerWaalsContact C-N 3.32Å; Q88-I90 PolarHBondContact O-N 3.47Å
89	C	98.8	Very high	96.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-43.1	173	-68.2	0	0	0	0	112	W84 T85 L86 D87 C107 V108 F122	W84-C89 PolarHBondContact NE1-SG 2.98Å; T85-C89 PolarHBondContact O-N 3.07Å; T85-C89 VanDerWaalsContact O-N 3.09Å; T85-C89 PolarHBondContact O-SG 3.43Å; T85-C89 VanDerWaalsContact O-SG 3.38Å; L86-C89 VanDerWaalsContact O-CB 3.29Å; L86-C89 WeakPolarHBondContact O-CB 3.3Å; L86-C89 PolarHBondContact O-N 2.93Å; L86-C89 VanDerWaalsContact O-N 3.1Å; D87-C89 PolarHBondContact O-N 3.23Å; C89-C107 CarbonylContact O-C 3.52Å; C89-C107 WeakPolarHBondContact O-CA 3.31Å; C89-C107 VanDerWaalsContact O-CB 3.26Å; C89-C107 WeakPolarHBondContact O-CB 3.32Å; C89-V108 WeakPolarHBondContact CA-O 3.26Å; C89-V108 WeakPolarHBondContact CB-O 3.35Å; C89-V108 PolarHBondContact O-N 3.27Å; C89-F122 HydrophobicContact CB-CZ 4.31Å
90	I	98.8	Very high	95.1	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-94.7	-11.2	-170.5	70	175.9	0	0	0	114.2	P54 M63 L67 Y72 L86 D87 Q88 T92 G93 V94 C107 L121	P54-I90 HydrophobicContact CG-CD1 4.32Å; M63-I90 HydrophobicContact CE-CB 4Å; M63-I90 HydrophobicContact CG-CB 4.05Å; M63-I90 HydrophobicContact CG-CG2 3.71Å; M63-I90 HydrophobicContact SD-CB 3.94Å; M63-I90 HydrophobicContact SD-CG2 3.98Å; L67-I90 HydrophobicContact CD2-CD1 4.08Å; Y72-I90 HydrophobicContact CD2-CD1 4.48Å; Y72-I90 HydrophobicContact CE2-CD1 4.14Å; L86-I90 HydrophobicContact CD1-CG2 4.36Å; L86-I90 PolarHBondContact O-N 3.36Å; L86-I90 VanDerWaalsContact O-N 3.09Å; D87-I90 PolarHBondContact O-N 3.03Å; Q88-I90 VanDerWaalsContact C-N 3.32Å; Q88-I90 PolarHBondContact O-N 3.47Å; I90-T92 VanDerWaalsContact C-N 3.31Å; I90-T92 PolarHBondContact O-N 3.32Å; I90-G93 WeakPolarHBondContact O-CA 3.38Å; I90-G93 PolarHBondContact O-N 3.01Å; I90-V94 HydrophobicContact CD1-CG2 4.22Å; I90-V94 HydrophobicContact CG1-CG2 4.1Å; I90-V94 PolarHBondContact O-N 3.3Å; I90-C107 HydrophobicContact CG2-CB 4.42Å; I90-L121 HydrophobicContact CG2-CD2 3.53Å
91	Q	98.8	Very high	93.7	Very high	62 Å²	62	46.2 Å²	46.2	29%	0.29	26%	0.258	S	S	.	.	H	α-helix	trans	-50	-48.4	-171.9	-171.3	64.8	56.5	0	0	112.7	D87 G93 V94 D95 F239	D87-Q91 WeakPolarHBondContact O-CB 3.13Å; D87-Q91 PolarHBondContact O-N 3.28Å; Q91-G93 VanDerWaalsContact C-N 3.26Å; Q91-G93 PolarHBondContact O-N 3.49Å; Q91-V94 PolarHBondContact O-N 3.07Å; Q91-D95 VanDerWaalsContact NE2-CG 3.32Å; Q91-D95 PolarHBondContact NE2-OD1 2.93Å; Q91-D95 PolarHBondContact NE2-OD2 2.96Å; Q91-D95 PolarHBondContact O-N 2.96Å; Q91-F239 HydrophobicContact CB-CE2 4.19Å; Q91-F239 HydrophobicContact CB-CZ 4.29Å; Q91-F239 HydrophobicContact CG-CE2 4.35Å; Q91-F239 HydrophobicContact CG-CZ 3.97Å
92	T	98.3	Very high	92.7	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.043	26%	0.259	C	S	.	.	H	α-helix	trans	-59.2	-36	178.4	-172.5	0	0	0	0	112.8	I90 N96 V108 L234 A238	I90-T92 VanDerWaalsContact C-N 3.31Å; I90-T92 PolarHBondContact O-N 3.32Å; T92-N96 VanDerWaalsContact O-CB 3.23Å; T92-N96 WeakPolarHBondContact O-CB 3.27Å; T92-N96 PolarHBondContact O-N 3.49Å; T92-N96 VanDerWaalsContact O-N 3.08Å; T92-N96 PolarHBondContact O-ND2 3.4Å; T92-V108 HydrophobicContact CG2-CG1 4.25Å; T92-L234 PolarHBondContact OG1-O 2.99Å; T92-A238 HydrophobicContact CG2-CB 4.24Å
93	G	98.3	Very high	92.2	Very high	1 Å²	1	47 Å²	47	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-76.7	-27.3	176.1	0	0	0	0	0	113.8	H59 N61 I90 Q91 G106	H59-G93 PolarHBondContact CD2-O 3.25Å; N61-G93 PolarHBondContact ND2-O 2.95Å; I90-G93 WeakPolarHBondContact O-CA 3.38Å; I90-G93 PolarHBondContact O-N 3.01Å; Q91-G93 VanDerWaalsContact C-N 3.26Å; Q91-G93 PolarHBondContact O-N 3.49Å; G93-G106 WeakPolarHBondContact CA-O 3.26Å; G93-G106 PolarHBondContact N-O 3.2Å
94	V	98.5	Very high	92	Very high	39 Å²	39	42.5 Å²	42.5	24%	0.236	23%	0.231	C	C	.	.	H	α-helix	trans	-70.9	-44	172.7	176.9	0	0	0	0	110.1	P54 L56 H59 M63 I90 Q91 N96	P54-V94 HydrophobicContact CB-CG1 4.21Å; P54-V94 HydrophobicContact CB-CG2 3.9Å; P54-V94 HydrophobicContact CG-CG2 4.26Å; L56-V94 HydrophobicContact CD2-CG2 4.28Å; H59-V94 PolarHBondContact NE2-O 3.18Å; M63-V94 HydrophobicContact CE-CG2 4.15Å; I90-V94 HydrophobicContact CD1-CG2 4.22Å; I90-V94 HydrophobicContact CG1-CG2 4.1Å; I90-V94 PolarHBondContact O-N 3.3Å; Q91-V94 PolarHBondContact O-N 3.07Å; V94-N96 VanDerWaalsContact C-N 3.33Å; V94-N96 PolarHBondContact O-N 3.08Å
95	D	98.3	Very high	91.9	Very high	76 Å²	76	42.4 Å²	42.4	41%	0.406	23%	0.232	S	C	.	.	H	α-helix	trans	-74.5	-24.5	-177.9	-64.7	-16.3	0	0	0	112.9	Q91 P97 C237	Q91-D95 VanDerWaalsContact NE2-CG 3.32Å; Q91-D95 PolarHBondContact NE2-OD1 2.93Å; Q91-D95 PolarHBondContact NE2-OD2 2.96Å; Q91-D95 PolarHBondContact O-N 2.96Å; D95-P97 WeakPolarHBondContact O-CD 3.38Å; D95-C237 HydrophobicContact CB-CB 4.02Å
96	N	96.8	Very high	91.9	Very high	15 Å²	15	41.5 Å²	41.5	8%	0.08	23%	0.227	C	C	.	.			trans	-115.8	94	-177.3	-62.4	-85.6	0	0	0	111.1	N61 T92 V94 G98 P233 L234	N61-N96 PolarHBondContact ND2-O 3.38Å; T92-N96 VanDerWaalsContact O-CB 3.23Å; T92-N96 WeakPolarHBondContact O-CB 3.27Å; T92-N96 PolarHBondContact O-N 3.49Å; T92-N96 VanDerWaalsContact O-N 3.08Å; T92-N96 PolarHBondContact O-ND2 3.4Å; V94-N96 VanDerWaalsContact C-N 3.33Å; V94-N96 PolarHBondContact O-N 3.08Å; N96-G98 PolarHBondContact O-N 3.41Å; N96-G98 VanDerWaalsContact O-N 3.13Å; N96-P233 PolarHBondContact ND2-O 3.41Å; N96-P233 VanDerWaalsContact OD1-CB 3.31Å; N96-P233 WeakPolarHBondContact OD1-CB 3.46Å; N96-P233 WeakPolarHBondContact OD1-CG 3.35Å; N96-L234 HydrophobicContact CB-CD2 3.77Å
97	P	93.7	Very high	91.9	Very high	64 Å²	64	41.6 Å²	41.6	42%	0.416	23%	0.228	S	C	.	.			trans	-66.8	-15.4	-177	26.7	-34.7	0	0	0	113.9	H59 N60 D95	H59-P97 CarbonylContact C-O 3.55Å; H59-P97 WeakPolarHBondContact CA-O 3.49Å; H59-P97 VanDerWaalsContact CD2-CA 3.45Å; H59-P97 WeakPolarHBondContact CD2-CA 3.4Å; N60-P97 PolarHBondContact N-O 2.96Å; D95-P97 WeakPolarHBondContact O-CD 3.38Å
98	G	85.2	Confident	91.9	Very high	34 Å²	34	40.5 Å²	40.5	35%	0.351	22%	0.222	S	C	.	.			trans	-177.6	-175.5	175.2	0	0	0	0	0	110.6	N96	N96-G98 PolarHBondContact O-N 3.41Å; N96-G98 VanDerWaalsContact O-N 3.13Å
99	H	79.8	Confident	91.9	Very high	40 Å²	40	37.5 Å²	37.5	19%	0.185	21%	0.208	C	C	.	.			trans	-135.2	141.7	173.4	-173.4	-97.3	0	0	0	109.4	F101 I102 T104 D359	H99-F101 AromaticContact CE1-CD2 3.68Å; H99-F101 PolarHBondContact ND1-N 3.27Å; H99-F101 PolarHBondContact O-N 2.81Å; H99-I102 HydrophobicContact CB-CG1 4.34Å; H99-I102 WeakPolarHBondContact CB-O 3.45Å; H99-T104 HydrophobicContact CB-CG2 3.52Å; H99-D359 IonicContact CE1-OD1 3.91Å; H99-D359 IonicContact NE2-OD1 2.77Å; H99-D359 PolarHBondContact NE2-OD1 2.95Å
100	P	72.4	Confident	91.9	Very high	112 Å²	112	37.5 Å²	37.5	73%	0.727	21%	0.208	S	C	*	.	S	Bend	trans	-58	-27.1	-173.5	-27.2	35.4	0	0	0	114.7
101	F	69.2	Low	91.9	Very high	137 Å²	137	37.4 Å²	37.4	60%	0.601	21%	0.208	S	C	*	.	S	Bend	trans	-113.4	-21.1	-169.8	-55.7	-64.8	0	0	0	115.2	H99	H99-F101 AromaticContact CE1-CD2 3.68Å; H99-F101 PolarHBondContact ND1-N 3.27Å; H99-F101 PolarHBondContact O-N 2.81Å
102	I	75.3	Confident	91.9	Very high	76 Å²	76	36 Å²	36	39%	0.39	20%	0.201	S	C	.	.	S	Bend	trans	-150.3	152.1	-170.4	57.3	168	0	0	0	112	H99 T104 V358	H99-I102 HydrophobicContact CB-CG1 4.34Å; H99-I102 WeakPolarHBondContact CB-O 3.45Å; I102-T104 HydrophobicContact CG1-CG2 4.39Å; I102-T104 PolarHBondContact O-N 2.9Å; I102-V358 HydrophobicContact CD1-CG2 4.15Å
103	K	85.4	Confident	91.9	Very high	82 Å²	82	38.1 Å²	38.1	36%	0.357	21%	0.211	S	C	.	.			trans	-71.9	120.2	163	-169.5	-175.2	-175.8	-166.8	0	108.7	D128	K103-D128 IonicContact NZ-OD1 3.82Å; K103-D128 IonicContact NZ-OD2 3.22Å; K103-D128 PolarHBondContact NZ-OD2 3.32Å
104	T	92.1	Very high	91.9	Very high	11 Å²	11	38.1 Å²	38.1	7%	0.067	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-86.9	166.7	-179.4	57.1	0	0	0	0	111.8	N61 C62 H99 I102 L234	N61-T104 WeakPolarHBondContact CA-O 3.49Å; N61-T104 WeakPolarHBondContact CB-O 3.42Å; N61-T104 WeakPolarHBondContact CB-OG1 3.39Å; C62-T104 PolarHBondContact N-O 3.31Å; C62-T104 PolarHBondContact SG-O 3.28Å; H99-T104 HydrophobicContact CB-CG2 3.52Å; I102-T104 HydrophobicContact CG1-CG2 4.39Å; I102-T104 PolarHBondContact O-N 2.9Å; T104-L234 HydrophobicContact CG2-CD1 3.84Å; T104-L234 HydrophobicContact CG2-CD2 4.14Å
105	V	96.5	Very high	92	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.055	20%	0.199	C	C	.	.			trans	-73	-50.7	175.3	-177.9	0	0	0	0	110.8	C62 M63 V125 R129 P317	C62-V105 CarbonylContact C-O 3.57Å; C62-V105 WeakPolarHBondContact CB-O 3.32Å; C62-V105 PolarHBondContact N-O 2.85Å; C62-V105 VanDerWaalsContact N-O 3.16Å; M63-V105 WeakPolarHBondContact CB-O 3.32Å; M63-V105 PolarHBondContact N-O 3.43Å; V105-V125 HydrophobicContact CG1-CG1 3.54Å; V105-R129 HydrophobicContact CG2-CG 4.08Å; V105-P317 HydrophobicContact CG1-CB 3.96Å; V105-P317 HydrophobicContact CG1-CG 3.83Å
106	G	97.4	Very high	92	Very high	6 Å²	6	37.9 Å²	37.9	6%	0.062	20%	0.204	C	C	.	.			trans	82.5	10.4	179.6	0	0	0	0	0	115.1	M63 G93	M63-G106 WeakPolarHBondContact CB-O 3.37Å; M63-G106 WeakPolarHBondContact CG-O 3.23Å; G93-G106 WeakPolarHBondContact CA-O 3.26Å; G93-G106 PolarHBondContact N-O 3.2Å
107	C	98.5	Very high	92	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.014	20%	0.203	C	C	.	.			trans	-149.3	159.9	167.6	61	0	0	0	0	112	M63 C89 I90 F122 P317	M63-C107 HydrophobicContact CB-CB 4.24Å; M63-C107 HydrophobicContact CG-CB 4.1Å; C89-C107 CarbonylContact O-C 3.52Å; C89-C107 WeakPolarHBondContact O-CA 3.31Å; C89-C107 VanDerWaalsContact O-CB 3.26Å; C89-C107 WeakPolarHBondContact O-CB 3.32Å; I90-C107 HydrophobicContact CG2-CB 4.42Å; C107-F122 HydrophobicContact CB-CE1 4.42Å; C107-P317 VanDerWaalsContact O-CD 3.27Å; C107-P317 WeakPolarHBondContact O-CD 3.39Å
108	V	98.8	Very high	92.3	Very high	10 Å²	10	34.6 Å²	34.6	6%	0.061	18%	0.184	C	C	.	.			trans	-135.4	153.7	177.9	-65.6	0	0	0	0	110.7	C89 T92 P177 A238 T315	C89-V108 WeakPolarHBondContact CA-O 3.26Å; C89-V108 WeakPolarHBondContact CB-O 3.35Å; C89-V108 PolarHBondContact O-N 3.27Å; T92-V108 HydrophobicContact CG2-CG1 4.25Å; V108-P177 HydrophobicContact CB-CG 4.18Å; V108-P177 HydrophobicContact CG2-CB 4.2Å; V108-P177 HydrophobicContact CG2-CG 3.91Å; V108-A238 HydrophobicContact CG1-CB 4.12Å; V108-A238 HydrophobicContact CG2-CB 4.15Å; V108-T315 WeakPolarHBondContact CA-O 3.36Å; V108-T315 HydrophobicContact CB-CG2 4.14Å; V108-T315 HydrophobicContact CG1-CG2 4.34Å
109	A	98.9	Very high	92.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.			trans	-89.7	139.1	169	0	0	0	0	0	110.5	Y115 F122 L175 T315	A109-Y115 HydrophobicContact CB-CD2 3.87Å; A109-Y115 HydrophobicContact CB-CE2 3.32Å; A109-F122 HydrophobicContact CB-CZ 4.44Å; A109-L175 HydrophobicContact CB-CD1 3.75Å; A109-T315 PolarHBondContact N-O 3.25Å
110	G	98.8	Very high	93.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-89.4	-25.1	174.1	0	0	0	0	0	113	S114 L175 A178	G110-S114 PolarHBondContact N-OG 3.32Å; G110-L175 WeakPolarHBondContact O-CB 3.47Å; G110-L175 PolarHBondContact O-N 2.96Å; G110-A178 WeakPolarHBondContact O-CB 3.29Å
111	D	98.9	Very high	95.1	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.011	15%	0.149	C	C	.	.	S	Bend	trans	-156.3	176.5	-176.9	49.1	31.5	0	0	0	109.9	T80 E113 S114	T80-D111 WeakPolarHBondContact CB-OD2 3.45Å; T80-D111 WeakPolarHBondContact CG2-OD1 3.41Å; T80-D111 PolarHBondContact OG1-OD2 3.12Å; D111-E113 VanDerWaalsContact C-N 3.31Å; D111-E113 PolarHBondContact O-N 3.07Å; D111-S114 PolarHBondContact N-OG 3.4Å; D111-S114 WeakPolarHBondContact O-CB 3.27Å; D111-S114 PolarHBondContact O-N 3.19Å; D111-S114 PolarHBondContact O-OG 2.85Å; D111-S114 WeakPolarHBondContact OD1-CB 3.33Å; D111-S114 PolarHBondContact OD1-N 3.49Å; D111-S114 PolarHBondContact OD1-OG 3.41Å
112	E	98.8	Very high	96.5	Very high	32 Å²	32	24 Å²	24	15%	0.15	12%	0.121	C	C	.	.	S	Bend	trans	-62.9	-40.7	-178.5	-175.6	160.8	-158.4	0	0	111.1	S114 Y115 R171 M305 I313	E112-S114 VanDerWaalsContact C-N 3.28Å; E112-S114 PolarHBondContact O-N 3.32Å; E112-Y115 PolarHBondContact O-N 2.99Å; E112-R171 IonicContact OE1-CZ 2.81Å; E112-R171 IonicContact OE1-NE 3.4Å; E112-R171 PolarHBondContact OE1-NE 3.47Å; E112-R171 IonicContact OE1-NH2 3.32Å; E112-R171 PolarHBondContact OE1-NH2 3.33Å; E112-R171 WeakPolarHBondContact OE2-CG 3.45Å; E112-R171 IonicContact OE2-CZ 2.67Å; E112-R171 IonicContact OE2-NE 3.26Å; E112-R171 PolarHBondContact OE2-NE 2.95Å; E112-R171 IonicContact OE2-NH2 3.78Å; E112-M305 HydrophobicContact CB-CE 4.14Å; E112-M305 HydrophobicContact CB-CG 4.33Å; E112-M305 HydrophobicContact CB-SD 3.86Å; E112-M305 HydrophobicContact CG-CB 4.41Å; E112-M305 HydrophobicContact CG-CG 4.39Å; E112-M305 HydrophobicContact CG-SD 4.41Å; E112-I313 HydrophobicContact CG-CD1 3.64Å
113	E	98.8	Very high	97.6	Very high	53 Å²	53	21 Å²	21	25%	0.248	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.1	-176.2	-62.1	83	178.1	0	0	113	P81 D111 Y115 E116 V117	P81-E113 HydrophobicContact CG-CB 4.47Å; P81-E113 HydrophobicContact CG-CG 3.98Å; D111-E113 VanDerWaalsContact C-N 3.31Å; D111-E113 PolarHBondContact O-N 3.07Å; E113-Y115 PolarHBondContact O-N 3.06Å; E113-Y115 VanDerWaalsContact O-N 3.14Å; E113-E116 PolarHBondContact O-N 2.83Å; E113-V117 HydrophobicContact CB-CG2 4.42Å; E113-V117 WeakPolarHBondContact O-CG2 3.28Å; E113-V117 PolarHBondContact O-N 3.41Å
114	S	98.8	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-49.3	-40.2	174.7	-69.2	0	0	0	0	112.2	G110 D111 E112 E116 F118 F122	G110-S114 PolarHBondContact N-OG 3.32Å; D111-S114 PolarHBondContact N-OG 3.4Å; D111-S114 WeakPolarHBondContact O-CB 3.27Å; D111-S114 PolarHBondContact O-N 3.19Å; D111-S114 PolarHBondContact O-OG 2.85Å; D111-S114 WeakPolarHBondContact OD1-CB 3.33Å; D111-S114 PolarHBondContact OD1-N 3.49Å; D111-S114 PolarHBondContact OD1-OG 3.41Å; E112-S114 VanDerWaalsContact C-N 3.28Å; E112-S114 PolarHBondContact O-N 3.32Å; S114-E116 PolarHBondContact O-N 3.31Å; S114-F118 WeakPolarHBondContact O-CB 3.45Å; S114-F118 WeakPolarHBondContact O-CD2 3.38Å; S114-F118 PolarHBondContact O-N 2.96Å; S114-F118 VanDerWaalsContact O-N 3.15Å; S114-F122 WeakPolarHBondContact O-CD2 3.29Å; S114-F122 WeakPolarHBondContact O-CE2 3.48Å
115	Y	98.8	Very high	98.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-71.2	-13.5	-179.9	-76.9	-72	0	0	0	114.2	A109 E112 E113 F122 I126 R309 L310 I313 L314 P317 L320	A109-Y115 HydrophobicContact CB-CD2 3.87Å; A109-Y115 HydrophobicContact CB-CE2 3.32Å; E112-Y115 PolarHBondContact O-N 2.99Å; E113-Y115 PolarHBondContact O-N 3.06Å; E113-Y115 VanDerWaalsContact O-N 3.14Å; Y115-F122 HydrophobicContact CD1-CB 4.2Å; Y115-F122 AromaticContact CD1-CD1 3.96Å; Y115-F122 HydrophobicContact CD1-CD1 3.96Å; Y115-F122 HydrophobicContact CD1-CD2 4.32Å; Y115-F122 HydrophobicContact CD1-CE1 4.42Å; Y115-F122 AromaticContact CD1-CG 3.91Å; Y115-F122 HydrophobicContact CD1-CG 3.91Å; Y115-F122 AromaticContact CE1-CD1 3.77Å; Y115-F122 HydrophobicContact CE1-CD1 3.77Å; Y115-F122 HydrophobicContact CE1-CE1 4.02Å; Y115-F122 HydrophobicContact CE1-CG 4.22Å; Y115-I126 HydrophobicContact CD1-CD1 4.24Å; Y115-I126 HydrophobicContact CE1-CD1 4.35Å; Y115-R309 PolarHBondContact O-NH2 2.75Å; Y115-L310 HydrophobicContact CD1-CD1 3.84Å; Y115-L310 HydrophobicContact CD2-CD1 4.46Å; Y115-L310 HydrophobicContact CG-CD1 3.77Å; Y115-I313 HydrophobicContact CD2-CG2 3.63Å; Y115-I313 HydrophobicContact CE2-CG2 3.52Å; Y115-L314 WeakPolarHBondContact CE2-O 3.01Å; Y115-L314 PolarHBondContact OH-O 3.04Å; Y115-P317 HydrophobicContact CE1-CB 4.41Å; Y115-P317 HydrophobicContact CE1-CG 4.13Å; Y115-L320 HydrophobicContact CD1-CD1 4.31Å; Y115-L320 HydrophobicContact CE1-CD1 3.71Å; Y115-L320 HydrophobicContact CE1-CD2 4.1Å; Y115-L320 HydrophobicContact CE1-CG 4.3Å; Y115-L320 HydrophobicContact CE2-CD2 4.07Å
116	E	98.4	Very high	98.6	Very high	110 Å²	110	18 Å²	18	51%	0.514	10%	0.095	S	C	.	.	H	α-helix	trans	-103.6	-51.4	175.8	-178.4	166.8	175.1	0	0	111.5	L38 E113 S114 F118 A119	L38-E116 VanDerWaalsContact CD1-OE1 3.24Å; L38-E116 WeakPolarHBondContact CD1-OE1 3.37Å; L38-E116 WeakPolarHBondContact CD1-OE2 3.41Å; E113-E116 PolarHBondContact O-N 2.83Å; S114-E116 PolarHBondContact O-N 3.31Å; E116-F118 PolarHBondContact O-N 3.32Å; E116-A119 VanDerWaalsContact O-CB 3.28Å; E116-A119 WeakPolarHBondContact O-CB 3.15Å; E116-A119 PolarHBondContact O-N 3.46Å; E116-A119 VanDerWaalsContact O-N 3.11Å
117	V	98.5	Very high	98.5	Very high	11 Å²	11	21.4 Å²	21.4	7%	0.067	11%	0.108	C	C	.	.	H	α-helix	trans	-57.4	-38.5	-179.4	175.3	0	0	0	0	111.3	A39 K78 T80 E113	A39-V117 HydrophobicContact CB-CG1 4.39Å; A39-V117 HydrophobicContact CB-CG2 4.27Å; K78-V117 HydrophobicContact CB-CG1 3.94Å; K78-V117 HydrophobicContact CD-CG1 4.23Å; T80-V117 HydrophobicContact CG2-CB 4.33Å; T80-V117 HydrophobicContact CG2-CG2 4.31Å; E113-V117 HydrophobicContact CB-CG2 4.42Å; E113-V117 WeakPolarHBondContact O-CG2 3.28Å; E113-V117 PolarHBondContact O-N 3.41Å
118	F	98.7	Very high	98.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	24.1	-179.9	-47.1	-65.2	0	0	0	113.1	L75 K78 T80 L86 S114 E116 E120 L121 F122	L75-F118 HydrophobicContact CB-CD1 4.29Å; L75-F118 HydrophobicContact CD1-CB 4.38Å; K78-F118 HydrophobicContact CB-CE1 4.07Å; T80-F118 HydrophobicContact CG2-CE2 3.65Å; T80-F118 HydrophobicContact CG2-CZ 4.22Å; L86-F118 HydrophobicContact CB-CD1 4.09Å; L86-F118 HydrophobicContact CB-CE1 3.89Å; L86-F118 HydrophobicContact CD1-CB 4.43Å; L86-F118 HydrophobicContact CD1-CD1 4.03Å; L86-F118 HydrophobicContact CD1-CG 4.33Å; S114-F118 WeakPolarHBondContact O-CB 3.45Å; S114-F118 WeakPolarHBondContact O-CD2 3.38Å; S114-F118 PolarHBondContact O-N 2.96Å; S114-F118 VanDerWaalsContact O-N 3.15Å; E116-F118 PolarHBondContact O-N 3.32Å; F118-E120 PolarHBondContact O-N 3.4Å; F118-E120 VanDerWaalsContact O-N 3.14Å; F118-L121 PolarHBondContact O-N 3.17Å; F118-F122 HydrophobicContact CB-CD2 3.77Å; F118-F122 HydrophobicContact CB-CE2 3.85Å; F118-F122 HydrophobicContact CD2-CE2 4.28Å; F118-F122 PolarHBondContact O-N 3.38Å
119	A	98.6	Very high	98	Very high	21 Å²	21	26.5 Å²	26.5	17%	0.174	13%	0.131	C	C	.	.	H	α-helix	trans	-54.2	-34.2	-177.7	0	0	0	0	0	113.5	E116 L121 F122 D123	E116-A119 VanDerWaalsContact O-CB 3.28Å; E116-A119 WeakPolarHBondContact O-CB 3.15Å; E116-A119 PolarHBondContact O-N 3.46Å; E116-A119 VanDerWaalsContact O-N 3.11Å; A119-L121 PolarHBondContact O-N 2.91Å; A119-L121 VanDerWaalsContact O-N 3.14Å; A119-F122 PolarHBondContact O-N 2.9Å; A119-D123 VanDerWaalsContact O-CB 3.25Å; A119-D123 WeakPolarHBondContact O-CB 3.19Å; A119-D123 VanDerWaalsContact O-CG 3.22Å; A119-D123 PolarHBondContact O-N 3.18Å
120	E	98.5	Very high	97.7	Very high	78 Å²	78	26.6 Å²	26.6	36%	0.364	13%	0.132	S	C	.	.	H	α-helix	trans	-62.2	-22	177.9	-74.6	179.1	-113.8	0	0	114.1	K74 L75 F118 P124	K74-E120 WeakPolarHBondContact CD-OE1 3.46Å; K74-E120 WeakPolarHBondContact CD-OE2 3.3Å; K74-E120 WeakPolarHBondContact CE-OE1 3.46Å; K74-E120 WeakPolarHBondContact CE-OE2 3.49Å; K74-E120 IonicContact NZ-OE1 3.71Å; K74-E120 PolarHBondContact NZ-OE1 3.03Å; K74-E120 IonicContact NZ-OE2 3.37Å; K74-E120 PolarHBondContact NZ-OE2 3.08Å; L75-E120 HydrophobicContact CD1-CB 4.16Å; F118-E120 PolarHBondContact O-N 3.4Å; F118-E120 VanDerWaalsContact O-N 3.14Å; E120-P124 WeakPolarHBondContact O-CD 3.49Å; E120-P124 WeakPolarHBondContact O-CG 3.26Å
121	L	98.8	Very high	97.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-95.6	-45.3	167.6	178.3	64.2	0	0	0	111.8	M63 A66 L67 I71 L75 L86 I90 F118 A119 P124 V125	M63-L121 HydrophobicContact CG-CD2 4.37Å; A66-L121 HydrophobicContact CB-CD1 4.07Å; L67-L121 HydrophobicContact CB-CD1 4.15Å; L67-L121 HydrophobicContact CD1-CD1 3.98Å; L67-L121 HydrophobicContact CD1-CD2 4.28Å; I71-L121 HydrophobicContact CG2-CB 4.13Å; L75-L121 HydrophobicContact CD1-CB 4.09Å; L86-L121 HydrophobicContact CD1-CD2 3.69Å; I90-L121 HydrophobicContact CG2-CD2 3.53Å; F118-L121 PolarHBondContact O-N 3.17Å; A119-L121 PolarHBondContact O-N 2.91Å; A119-L121 VanDerWaalsContact O-N 3.14Å; L121-P124 VanDerWaalsContact O-CD 3.26Å; L121-P124 WeakPolarHBondContact O-CD 3.35Å; L121-P124 VanDerWaalsContact O-CG 3.27Å; L121-P124 WeakPolarHBondContact O-CG 3.28Å; L121-V125 HydrophobicContact CD1-CG2 4.27Å; L121-V125 VanDerWaalsContact O-CG2 3.3Å; L121-V125 WeakPolarHBondContact O-CG2 3.47Å; L121-V125 PolarHBondContact O-N 2.94Å
122	F	98.8	Very high	96.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.3	-41.6	-174.9	-82.3	-68.1	0	0	0	112.9	C89 C107 A109 S114 Y115 F118 A119 V125 I126 P317	C89-F122 HydrophobicContact CB-CZ 4.31Å; C107-F122 HydrophobicContact CB-CE1 4.42Å; A109-F122 HydrophobicContact CB-CZ 4.44Å; S114-F122 WeakPolarHBondContact O-CD2 3.29Å; S114-F122 WeakPolarHBondContact O-CE2 3.48Å; Y115-F122 HydrophobicContact CD1-CB 4.2Å; Y115-F122 AromaticContact CD1-CD1 3.96Å; Y115-F122 HydrophobicContact CD1-CD1 3.96Å; Y115-F122 HydrophobicContact CD1-CD2 4.32Å; Y115-F122 HydrophobicContact CD1-CE1 4.42Å; Y115-F122 AromaticContact CD1-CG 3.91Å; Y115-F122 HydrophobicContact CD1-CG 3.91Å; Y115-F122 AromaticContact CE1-CD1 3.77Å; Y115-F122 HydrophobicContact CE1-CD1 3.77Å; Y115-F122 HydrophobicContact CE1-CE1 4.02Å; Y115-F122 HydrophobicContact CE1-CG 4.22Å; F118-F122 HydrophobicContact CB-CD2 3.77Å; F118-F122 HydrophobicContact CB-CE2 3.85Å; F118-F122 HydrophobicContact CD2-CE2 4.28Å; F118-F122 PolarHBondContact O-N 3.38Å; A119-F122 PolarHBondContact O-N 2.9Å; F122-V125 WeakPolarHBondContact O-CB 3.32Å; F122-V125 PolarHBondContact O-N 2.85Å; F122-I126 HydrophobicContact CB-CD1 4.19Å; F122-I126 WeakPolarHBondContact O-CB 3.41Å; F122-I126 WeakPolarHBondContact O-CD1 3.32Å; F122-I126 WeakPolarHBondContact O-CG1 3.2Å; F122-I126 PolarHBondContact O-N 2.82Å; F122-P317 HydrophobicContact CD1-CG 3.75Å; F122-P317 HydrophobicContact CE1-CG 3.64Å
123	D	98.6	Very high	96.8	Very high	15 Å²	15	29.9 Å²	29.9	8%	0.08	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-49.2	-177.7	-67.5	-13.9	0	0	0	113.4	A119 V125 I126 K127 P135 R136 R309	A119-D123 VanDerWaalsContact O-CB 3.25Å; A119-D123 WeakPolarHBondContact O-CB 3.19Å; A119-D123 VanDerWaalsContact O-CG 3.22Å; A119-D123 PolarHBondContact O-N 3.18Å; D123-V125 VanDerWaalsContact C-N 3.33Å; D123-V125 PolarHBondContact O-N 2.88Å; D123-I126 PolarHBondContact O-N 3.09Å; D123-K127 WeakPolarHBondContact O-CB 3.08Å; D123-K127 PolarHBondContact O-N 3.27Å; D123-P135 HydrophobicContact CB-CG 3.91Å; D123-P135 WeakPolarHBondContact OD1-CG 3.39Å; D123-R136 HydrophobicContact CB-CG 4.21Å; D123-R136 WeakPolarHBondContact OD2-CD 3.39Å; D123-R136 WeakPolarHBondContact OD2-CG 3.37Å; D123-R309 IonicContact OD1-NH1 2.8Å; D123-R309 PolarHBondContact OD1-NH1 3.29Å
124	P	98.3	Very high	96.7	Very high	38 Å²	38	27.6 Å²	27.6	25%	0.247	15%	0.146	C	C	.	.	H	α-helix	trans	-65.3	-34.4	174.5	22.6	-31.4	0	0	0	113	A66 E120 L121 K127 D128	A66-P124 HydrophobicContact CB-CB 4.09Å; A66-P124 HydrophobicContact CB-CG 4.07Å; E120-P124 WeakPolarHBondContact O-CD 3.49Å; E120-P124 WeakPolarHBondContact O-CG 3.26Å; L121-P124 VanDerWaalsContact O-CD 3.26Å; L121-P124 WeakPolarHBondContact O-CD 3.35Å; L121-P124 VanDerWaalsContact O-CG 3.27Å; L121-P124 WeakPolarHBondContact O-CG 3.28Å; P124-K127 PolarHBondContact O-N 3Å; P124-D128 PolarHBondContact O-N 3.07Å
125	V	98.4	Very high	96.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.2	-45.2	174.6	168.7	0	0	0	0	111.5	C62 A66 V105 L121 F122 D123 K127 D128 R129 P317	C62-V125 HydrophobicContact CB-CG1 3.95Å; A66-V125 HydrophobicContact CB-CG2 3.64Å; V105-V125 HydrophobicContact CG1-CG1 3.54Å; L121-V125 HydrophobicContact CD1-CG2 4.27Å; L121-V125 VanDerWaalsContact O-CG2 3.3Å; L121-V125 WeakPolarHBondContact O-CG2 3.47Å; L121-V125 PolarHBondContact O-N 2.94Å; F122-V125 WeakPolarHBondContact O-CB 3.32Å; F122-V125 PolarHBondContact O-N 2.85Å; D123-V125 VanDerWaalsContact C-N 3.33Å; D123-V125 PolarHBondContact O-N 2.88Å; V125-K127 VanDerWaalsContact C-N 3.31Å; V125-K127 PolarHBondContact O-N 3.23Å; V125-D128 PolarHBondContact O-N 3.45Å; V125-R129 VanDerWaalsContact O-CB 3.31Å; V125-R129 WeakPolarHBondContact O-CB 3.48Å; V125-R129 PolarHBondContact O-N 3.22Å; V125-P317 HydrophobicContact CG1-CB 4.5Å
126	I	98.1	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-44.8	176.8	-71	165.3	0	0	0	109.4	Y115 F122 D123 R129 H130 Y133 P135 L310 P317 L320 L375	Y115-I126 HydrophobicContact CD1-CD1 4.24Å; Y115-I126 HydrophobicContact CE1-CD1 4.35Å; F122-I126 HydrophobicContact CB-CD1 4.19Å; F122-I126 WeakPolarHBondContact O-CB 3.41Å; F122-I126 WeakPolarHBondContact O-CD1 3.32Å; F122-I126 WeakPolarHBondContact O-CG1 3.2Å; F122-I126 PolarHBondContact O-N 2.82Å; D123-I126 PolarHBondContact O-N 3.09Å; I126-R129 PolarHBondContact O-N 2.8Å; I126-H130 WeakPolarHBondContact O-CB 3.43Å; I126-H130 PolarHBondContact O-CD2 2.88Å; I126-H130 PolarHBondContact O-N 3.33Å; I126-Y133 HydrophobicContact CG2-CD1 4.3Å; I126-P135 HydrophobicContact CB-CG 4.33Å; I126-P135 HydrophobicContact CD1-CG 4.41Å; I126-P135 HydrophobicContact CG2-CG 4.03Å; I126-L310 HydrophobicContact CD1-CD2 3.98Å; I126-P317 HydrophobicContact CG1-CB 4.18Å; I126-L320 HydrophobicContact CD1-CD1 3.49Å; I126-L320 VanDerWaalsContact CD1-CD1 3.49Å; I126-L320 HydrophobicContact CG1-CD1 3.74Å; I126-L375 HydrophobicContact CG2-CD2 3.57Å
127	K	96.3	Very high	96.4	Very high	77 Å²	77	38.1 Å²	38.1	34%	0.335	19%	0.187	S	C	.	.	H	α-helix	trans	-62.2	-44.3	178.9	-172.6	175.6	-174.1	166.8	0	113.3	D123 P124 V125 N131 G132 Y133 D134	D123-K127 WeakPolarHBondContact O-CB 3.08Å; D123-K127 PolarHBondContact O-N 3.27Å; P124-K127 PolarHBondContact O-N 3Å; V125-K127 VanDerWaalsContact C-N 3.31Å; V125-K127 PolarHBondContact O-N 3.23Å; K127-N131 PolarHBondContact O-N 2.83Å; K127-G132 PolarHBondContact O-N 3.33Å; K127-Y133 WeakPolarHBondContact CA-O 3.4Å; K127-D134 HydrophobicContact CD-CB 4.22Å; K127-D134 IonicContact NZ-OD2 3.86Å; K127-D134 PolarHBondContact NZ-OD2 3.22Å
128	D	93.5	Very high	96.3	Very high	73 Å²	73	40.5 Å²	40.5	39%	0.39	20%	0.198	S	C	.	.	H	α-helix	trans	-62.6	-50.7	174.3	-174.4	33.5	0	0	0	110.2	K103 P124 V125 H130 N131	K103-D128 IonicContact NZ-OD1 3.82Å; K103-D128 IonicContact NZ-OD2 3.22Å; K103-D128 PolarHBondContact NZ-OD2 3.32Å; P124-D128 PolarHBondContact O-N 3.07Å; V125-D128 PolarHBondContact O-N 3.45Å; D128-H130 VanDerWaalsContact C-N 3.34Å; D128-H130 PolarHBondContact O-N 2.88Å; D128-N131 PolarHBondContact O-N 2.89Å
129	R	93	Very high	96.2	Very high	46 Å²	46	44.5 Å²	44.5	17%	0.174	22%	0.222	C	C	.	.	H	α-helix	trans	-66.4	-33.6	-174.2	-177.7	58.1	-171.6	89.1	-8.7	113.7	V105 V125 I126	V105-R129 HydrophobicContact CG2-CG 4.08Å; V125-R129 VanDerWaalsContact O-CB 3.31Å; V125-R129 WeakPolarHBondContact O-CB 3.48Å; V125-R129 PolarHBondContact O-N 3.22Å; I126-R129 PolarHBondContact O-N 2.8Å
130	H	92.9	Very high	96.2	Very high	2 Å²	2	44 Å²	44	1%	0.009	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	32.2	-178.1	-61.7	-80.3	0	0	0	112.4	I126 D128 G132 Y133 P317 S318 L375	I126-H130 WeakPolarHBondContact O-CB 3.43Å; I126-H130 PolarHBondContact O-CD2 2.88Å; I126-H130 PolarHBondContact O-N 3.33Å; D128-H130 VanDerWaalsContact C-N 3.34Å; D128-H130 PolarHBondContact O-N 2.88Å; H130-G132 VanDerWaalsContact C-N 3.31Å; H130-G132 PolarHBondContact O-N 3.42Å; H130-Y133 PolarHBondContact O-N 3.33Å; H130-P317 PolarHBondContact NE2-O 3.49Å; H130-S318 PolarHBondContact CE1-O 3.03Å; H130-L375 HydrophobicContact CB-CB 4.2Å
131	N	88.3	Confident	96.2	Very high	74 Å²	74	42.9 Å²	42.9	40%	0.396	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	42.2	165.2	-161.7	26.1	0	0	0	114.6	K127 D128 R349 M414 F415	K127-N131 PolarHBondContact O-N 2.83Å; D128-N131 PolarHBondContact O-N 2.89Å; N131-R349 PolarHBondContact ND2-NH1 3.17Å; N131-R349 PolarHBondContact ND2-NH2 3.36Å; N131-M414 HydrophobicContact CB-CE 3.98Å; N131-M414 VanDerWaalsContact ND2-CG 3.31Å; N131-M414 WeakPolarHBondContact ND2-CG 3.35Å; N131-F415 WeakPolarHBondContact O-CE2 3.09Å
132	G	92.6	Very high	96.1	Very high	28 Å²	28	45.5 Å²	45.5	29%	0.289	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.2	-4	175.5	0	0	0	0	0	115.7	K127 H130 D134	K127-G132 PolarHBondContact O-N 3.33Å; H130-G132 VanDerWaalsContact C-N 3.31Å; H130-G132 PolarHBondContact O-N 3.42Å; G132-D134 PolarHBondContact O-N 3Å; G132-D134 VanDerWaalsContact O-N 3.09Å
133	Y	95.8	Very high	96.1	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.008	24%	0.242	C	C	.	.			trans	-59.3	114.5	171.3	-175	-91.3	0	0	0	109.9	I126 K127 H130 P135 M138 T139 H140 R309 L375 G376 F415	I126-Y133 HydrophobicContact CG2-CD1 4.3Å; K127-Y133 WeakPolarHBondContact CA-O 3.4Å; H130-Y133 PolarHBondContact O-N 3.33Å; Y133-P135 HydrophobicContact CE1-CB 4.08Å; Y133-P135 WeakPolarHBondContact O-CD 3.21Å; Y133-M138 HydrophobicContact CD2-CB 4.12Å; Y133-M138 HydrophobicContact CD2-SD 3.83Å; Y133-M138 HydrophobicContact CE2-CB 3.63Å; Y133-M138 HydrophobicContact CE2-SD 4.29Å; Y133-M138 HydrophobicContact CG-SD 4.3Å; Y133-M138 PolarHBondContact OH-O 3.33Å; Y133-T139 WeakPolarHBondContact OH-CA 3.36Å; Y133-T139 PolarHBondContact OH-O 3.16Å; Y133-H140 PolarHBondContact OH-N 2.96Å; Y133-R309 WeakPolarHBondContact CE1-O 3.36Å; Y133-R309 PolarHBondContact OH-O 3Å; Y133-L375 HydrophobicContact CD1-CD1 4.49Å; Y133-L375 HydrophobicContact CD1-CD2 3.25Å; Y133-L375 HydrophobicContact CD1-CG 3.55Å; Y133-L375 HydrophobicContact CD2-CG 4.25Å; Y133-L375 HydrophobicContact CE1-CD1 4.04Å; Y133-L375 HydrophobicContact CE1-CD2 3.45Å; Y133-L375 VanDerWaalsContact CE1-CD2 3.45Å; Y133-L375 HydrophobicContact CE1-CG 3.58Å; Y133-L375 HydrophobicContact CE2-CG 4.28Å; Y133-L375 HydrophobicContact CG-CD2 3.98Å; Y133-L375 HydrophobicContact CG-CG 3.88Å; Y133-G376 VanDerWaalsContact CD2-CA 3.48Å; Y133-F415 AromaticContact CD2-CE1 3.99Å; Y133-F415 HydrophobicContact CD2-CE1 3.99Å; Y133-F415 HydrophobicContact CD2-CZ 4.19Å; Y133-F415 HydrophobicContact CG-CZ 4.45Å; Y133-F415 VanDerWaalsContact N-CE2 3.31Å
134	D	96.7	Very high	96.1	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	24%	0.242	C	C	.	.			trans	-104.4	101.4	-177.4	-161.8	-32.6	0	0	0	109.4	K127 G132 R136 K137 M138	K127-D134 HydrophobicContact CD-CB 4.22Å; K127-D134 IonicContact NZ-OD2 3.86Å; K127-D134 PolarHBondContact NZ-OD2 3.22Å; G132-D134 PolarHBondContact O-N 3Å; G132-D134 VanDerWaalsContact O-N 3.09Å; D134-R136 PolarHBondContact O-N 2.7Å; D134-R136 WeakPolarHBondContact OD1-CB 3.35Å; D134-R136 IonicContact OD1-CZ 3.54Å; D134-R136 PolarHBondContact OD1-N 2.86Å; D134-R136 IonicContact OD1-NE 3.78Å; D134-R136 PolarHBondContact OD1-NE 3.11Å; D134-R136 IonicContact OD1-NH2 3.55Å; D134-R136 PolarHBondContact OD1-NH2 2.8Å; D134-R136 IonicContact OD2-CZ 2.83Å; D134-R136 IonicContact OD2-NE 2.93Å; D134-R136 IonicContact OD2-NH2 3.71Å; D134-R136 PolarHBondContact OD2-NH2 3.49Å; D134-K137 HydrophobicContact CB-CB 4.47Å; D134-K137 PolarHBondContact O-N 2.63Å; D134-M138 PolarHBondContact N-SD 3.18Å; D134-M138 WeakPolarHBondContact O-CB 3.39Å; D134-M138 PolarHBondContact O-N 3.33Å
135	P	96.9	Very high	96.1	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.032	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-7.6	-174.6	28.7	-37.1	0	0	0	113.7	D123 I126 Y133 L310	D123-P135 HydrophobicContact CB-CG 3.91Å; D123-P135 WeakPolarHBondContact OD1-CG 3.39Å; I126-P135 HydrophobicContact CB-CG 4.33Å; I126-P135 HydrophobicContact CD1-CG 4.41Å; I126-P135 HydrophobicContact CG2-CG 4.03Å; Y133-P135 HydrophobicContact CE1-CB 4.08Å; Y133-P135 WeakPolarHBondContact O-CD 3.21Å; P135-L310 HydrophobicContact CB-CD2 3.6Å; P135-L310 HydrophobicContact CG-CD2 4.44Å
136	R	97	Very high	96.1	Very high	149 Å²	149	48.8 Å²	48.8	56%	0.562	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-15.7	174.5	-58.5	168	-64.6	-169.8	-1.1	113	D123 D134	D123-R136 HydrophobicContact CB-CG 4.21Å; D123-R136 WeakPolarHBondContact OD2-CD 3.39Å; D123-R136 WeakPolarHBondContact OD2-CG 3.37Å; D134-R136 PolarHBondContact O-N 2.7Å; D134-R136 WeakPolarHBondContact OD1-CB 3.35Å; D134-R136 IonicContact OD1-CZ 3.54Å; D134-R136 PolarHBondContact OD1-N 2.86Å; D134-R136 IonicContact OD1-NE 3.78Å; D134-R136 PolarHBondContact OD1-NE 3.11Å; D134-R136 IonicContact OD1-NH2 3.55Å; D134-R136 PolarHBondContact OD1-NH2 2.8Å; D134-R136 IonicContact OD2-CZ 2.83Å; D134-R136 IonicContact OD2-NE 2.93Å; D134-R136 IonicContact OD2-NH2 3.71Å; D134-R136 PolarHBondContact OD2-NH2 3.49Å
137	K	96.7	Very high	96.1	Very high	177 Å²	177	52.9 Å²	52.9	77%	0.77	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.3	-12	-171	-60.4	-174.7	179.6	-174.3	0	113.7	D134	D134-K137 HydrophobicContact CB-CB 4.47Å; D134-K137 PolarHBondContact O-N 2.63Å
138	M	96.6	Very high	96.2	Very high	62 Å²	62	53.8 Å²	53.8	31%	0.305	28%	0.282	S	S	.	.			trans	-123.6	153.8	-173.7	-59.1	-176.4	-179.1	0	0	110.2	Y133 D134 F415	Y133-M138 HydrophobicContact CD2-CB 4.12Å; Y133-M138 HydrophobicContact CD2-SD 3.83Å; Y133-M138 HydrophobicContact CE2-CB 3.63Å; Y133-M138 HydrophobicContact CE2-SD 4.29Å; Y133-M138 HydrophobicContact CG-SD 4.3Å; Y133-M138 PolarHBondContact OH-O 3.33Å; D134-M138 PolarHBondContact N-SD 3.18Å; D134-M138 WeakPolarHBondContact O-CB 3.39Å; D134-M138 PolarHBondContact O-N 3.33Å; M138-F415 HydrophobicContact CE-CG 4.44Å; M138-F415 HydrophobicContact SD-CD1 4.42Å
139	T	97	Very high	96.4	Very high	84 Å²	84	50.5 Å²	50.5	52%	0.515	26%	0.264	S	S	.	.			trans	-115.7	154.7	172.3	57.5	0	0	0	0	109.8	Y133 E308	Y133-T139 WeakPolarHBondContact OH-CA 3.36Å; Y133-T139 PolarHBondContact OH-O 3.16Å; T139-E308 HydrophobicContact CG2-CG 3.73Å
140	H	97.7	Very high	96.5	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.042	29%	0.286	C	S	.	.			trans	-100.4	124.3	-175.7	179.9	55.8	0	0	0	111.3	Y133 E308 G311 G321 T322 L375 G376 K377	Y133-H140 PolarHBondContact OH-N 2.96Å; H140-E308 PolarHBondContact N-O 2.76Å; H140-G311 VanDerWaalsContact CD2-CA 3.48Å; H140-G311 WeakPolarHBondContact CD2-CA 3.4Å; H140-G321 VanDerWaalsContact NE2-CA 3.31Å; H140-G321 WeakPolarHBondContact NE2-CA 3.37Å; H140-T322 PolarHBondContact NE2-N 2.86Å; H140-L375 HydrophobicContact CB-CD1 4.06Å; H140-G376 PolarHBondContact ND1-N 2.81Å; H140-G376 VanDerWaalsContact ND1-N 3.16Å; H140-K377 PolarHBondContact CE1-O 2.83Å; H140-K377 VanDerWaalsContact CE1-O 3.32Å
141	P	97.4	Very high	96.2	Very high	56 Å²	56	62.5 Å²	62.5	36%	0.364	32%	0.319	S	S	.	.			trans	-80.2	130.3	172.6	31.5	-33.4	0	0	0	111.3	S378	P141-S378 WeakPolarHBondContact O-CA 3.3Å
142	T	98.1	Very high	96.4	Very high	55 Å²	55	59.1 Å²	59.1	34%	0.337	30%	0.302	S	S	.	.			trans	-107	129.8	167.8	-64.9	0	0	0	0	109.2	Y312 E379	T142-Y312 HydrophobicContact CG2-CE2 4.07Å; T142-E379 WeakPolarHBondContact CA-OE2 3.44Å
143	D	98.4	Very high	96.7	Very high	37 Å²	37	63.1 Å²	63.1	20%	0.198	31%	0.314	C	S	.	.			trans	-148.7	99.7	179.7	-168.6	-2.8	0	0	0	110.7	D145 K148 E379 V380	D143-D145 VanDerWaalsContact OD1-CB 3.32Å; D143-D145 WeakPolarHBondContact OD1-CB 3.48Å; D143-D145 PolarHBondContact OD1-N 2.81Å; D143-K148 IonicContact OD1-NZ 3.28Å; D143-K148 PolarHBondContact OD1-NZ 2.79Å; D143-K148 WeakPolarHBondContact OD2-CD 3.26Å; D143-K148 IonicContact OD2-NZ 3.2Å; D143-K148 PolarHBondContact OD2-NZ 3.1Å; D143-E379 PolarHBondContact N-OE2 3.08Å; D143-E379 WeakPolarHBondContact O-CB 3.11Å; D143-V380 HydrophobicContact CB-CG2 4.41Å; D143-V380 VanDerWaalsContact O-CG2 3.3Å; D143-V380 WeakPolarHBondContact O-CG2 3.21Å; D143-V380 PolarHBondContact O-N 2.77Å
144	L	98.2	Very high	96.8	Very high	16 Å²	16	63.3 Å²	63.3	8%	0.084	32%	0.315	C	S	.	.			trans	-101.3	30.8	176.9	-66.9	169.4	0	0	0	111.9	A146 F286 C287 L290 K291 E379	L144-A146 PolarHBondContact O-N 2.72Å; L144-F286 HydrophobicContact CD2-CE1 4.09Å; L144-C287 HydrophobicContact CB-CB 4.45Å; L144-L290 HydrophobicContact CD1-CD2 3.92Å; L144-L290 HydrophobicContact CD2-CD2 4.16Å; L144-K291 VanDerWaalsContact O-CE 3.29Å; L144-K291 WeakPolarHBondContact O-CE 3.31Å; L144-K291 PolarHBondContact O-NZ 2.91Å; L144-E379 HydrophobicContact CD2-CB 3.93Å; L144-E379 HydrophobicContact CD2-CG 3.68Å; L144-E379 HydrophobicContact CG-CG 4.48Å
145	D	98.4	Very high	96.9	Very high	58 Å²	58	65 Å²	65	31%	0.31	33%	0.325	S	S	.	.			trans	-88.3	89.4	172.3	-176.3	3.7	0	0	0	111.3	D143 S147 K148 V380	D143-D145 VanDerWaalsContact OD1-CB 3.32Å; D143-D145 WeakPolarHBondContact OD1-CB 3.48Å; D143-D145 PolarHBondContact OD1-N 2.81Å; D145-S147 VanDerWaalsContact CG-OG 3.28Å; D145-S147 PolarHBondContact O-N 3.27Å; D145-S147 VanDerWaalsContact O-N 3.08Å; D145-S147 VanDerWaalsContact OD1-CB 3.32Å; D145-S147 WeakPolarHBondContact OD1-CB 3.33Å; D145-S147 PolarHBondContact OD1-N 2.75Å; D145-S147 VanDerWaalsContact OD1-N 3.12Å; D145-S147 PolarHBondContact OD1-OG 2.97Å; D145-S147 PolarHBondContact OD2-OG 3.03Å; D145-K148 HydrophobicContact CB-CD 3.94Å; D145-K148 HydrophobicContact CB-CG 4.21Å; D145-K148 WeakPolarHBondContact O-CB 3.31Å; D145-K148 PolarHBondContact O-N 3.42Å; D145-K148 VanDerWaalsContact O-N 3.14Å; D145-K148 WeakPolarHBondContact OD2-CE 3.36Å; D145-K148 IonicContact OD2-NZ 2.74Å; D145-V380 WeakPolarHBondContact O-CG2 3.29Å
146	A	98.1	Very high	96.9	Very high	11 Å²	11	70.1 Å²	70.1	9%	0.091	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-59.2	-21	-179.6	0	0	0	0	0	114.1	L144 K148 L149 F283 E284 C287	L144-A146 PolarHBondContact O-N 2.72Å; A146-K148 PolarHBondContact O-N 2.93Å; A146-L149 WeakPolarHBondContact O-CB 3.09Å; A146-L149 PolarHBondContact O-N 3.21Å; A146-F283 HydrophobicContact CB-CD1 3.89Å; A146-F283 HydrophobicContact CB-CE1 4.16Å; A146-E284 HydrophobicContact CB-CB 4.32Å; A146-E284 HydrophobicContact CB-CG 3.79Å; A146-C287 HydrophobicContact CB-CB 4.17Å
147	S	97.9	Very high	96.9	Very high	86 Å²	86	69.1 Å²	69.1	60%	0.601	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-65.6	-23.7	179	76.2	0	0	0	0	112.9	D145 L149	D145-S147 VanDerWaalsContact CG-OG 3.28Å; D145-S147 PolarHBondContact O-N 3.27Å; D145-S147 VanDerWaalsContact O-N 3.08Å; D145-S147 VanDerWaalsContact OD1-CB 3.32Å; D145-S147 WeakPolarHBondContact OD1-CB 3.33Å; D145-S147 PolarHBondContact OD1-N 2.75Å; D145-S147 VanDerWaalsContact OD1-N 3.12Å; D145-S147 PolarHBondContact OD1-OG 2.97Å; D145-S147 PolarHBondContact OD2-OG 3.03Å; S147-L149 VanDerWaalsContact C-N 3.27Å; S147-L149 PolarHBondContact O-N 2.92Å
148	K	98.3	Very high	97	Very high	96 Å²	96	61.8 Å²	61.8	42%	0.417	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-74	-15.7	178	-65.1	175	-176.5	158	0	113.4	D143 D145 A146 K150 V380	D143-K148 IonicContact OD1-NZ 3.28Å; D143-K148 PolarHBondContact OD1-NZ 2.79Å; D143-K148 WeakPolarHBondContact OD2-CD 3.26Å; D143-K148 IonicContact OD2-NZ 3.2Å; D143-K148 PolarHBondContact OD2-NZ 3.1Å; D145-K148 HydrophobicContact CB-CD 3.94Å; D145-K148 HydrophobicContact CB-CG 4.21Å; D145-K148 WeakPolarHBondContact O-CB 3.31Å; D145-K148 PolarHBondContact O-N 3.42Å; D145-K148 VanDerWaalsContact O-N 3.14Å; D145-K148 WeakPolarHBondContact OD2-CE 3.36Å; D145-K148 IonicContact OD2-NZ 2.74Å; A146-K148 PolarHBondContact O-N 2.93Å; K148-K150 PolarHBondContact O-N 3.07Å; K148-V380 HydrophobicContact CB-CG1 3.73Å; K148-V380 HydrophobicContact CB-CG2 4.36Å
149	L	97.6	Very high	97	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.016	31%	0.307	C	S	.	.			trans	-68.9	118.9	178.8	-173.4	67.9	0	0	0	110	A146 S147 K280 F283 V383 Q384 V387	A146-L149 WeakPolarHBondContact O-CB 3.09Å; A146-L149 PolarHBondContact O-N 3.21Å; S147-L149 VanDerWaalsContact C-N 3.27Å; S147-L149 PolarHBondContact O-N 2.92Å; L149-K280 HydrophobicContact CD2-CB 4.14Å; L149-K280 HydrophobicContact CD2-CG 4.34Å; L149-F283 HydrophobicContact CB-CD1 4.29Å; L149-F283 HydrophobicContact CD2-CB 4.19Å; L149-F283 HydrophobicContact CD2-CD1 3.95Å; L149-F283 HydrophobicContact CD2-CG 4.44Å; L149-V383 HydrophobicContact CD1-CB 4.17Å; L149-V383 HydrophobicContact CD1-CG1 3.72Å; L149-V383 HydrophobicContact CD2-CG1 3.79Å; L149-V383 HydrophobicContact CG-CG1 4.43Å; L149-Q384 HydrophobicContact CD1-CB 4.13Å; L149-V387 HydrophobicContact CD1-CG2 4.29Å
150	K	95.2	Very high	97	Very high	147 Å²	147	58.6 Å²	58.6	64%	0.639	30%	0.302	S	S	*	.			trans	-99.3	128.4	-179.2	-59.3	-176.1	-176.3	179.5	0	109.7	K148 Q384	K148-K150 PolarHBondContact O-N 3.07Å; K150-Q384 PolarHBondContact O-NE2 2.77Å; K150-Q384 PolarHBondContact O-OE1 3.18Å
151	H	88.1	Confident	96.9	Very high	153 Å²	153	59.3 Å²	59.3	71%	0.708	31%	0.308	S	S	*	.			trans	56.9	178.5	-170.5	-43.3	-73.7	0	0	0	109.9	V387	H151-V387 HydrophobicContact CB-CG1 4.5Å
152	G	92.8	Very high	96.9	Very high	3 Å²	3	56.7 Å²	56.7	3%	0.031	29%	0.291	C	S	.	.			trans	143.2	14	-174.3	0	0	0	0	0	114.2	N278 M279 K280	G152-N278 CarbonylContact O-C 3.53Å; G152-M279 PolarHBondContact O-N 2.96Å; G152-K280 PolarHBondContact O-N 3.02Å; G152-K280 VanDerWaalsContact O-N 3.09Å
153	M	98.1	Very high	96.9	Very high	112 Å²	112	56.4 Å²	56.4	55%	0.552	28%	0.284	S	S	*	.	B	Isolated β-bridge	trans	-100.7	117.9	159	-174.6	65.6	87.1	0	0	107.5	N278	M153-N278 HydrophobicContact CE-CB 3.87Å; M153-N278 HydrophobicContact SD-CB 3.77Å
154	F	98.3	Very high	96.9	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.026	28%	0.275	C	S	.	.			trans	-87.4	164.4	173	-59.2	-57.9	0	0	0	111.7	E156 V159 G277 M279 V328 V387 V390 N391 I394	F154-E156 PolarHBondContact O-N 2.91Å; F154-V159 HydrophobicContact CB-CB 3.95Å; F154-V159 HydrophobicContact CB-CG1 4.37Å; F154-V159 HydrophobicContact CB-CG2 3.64Å; F154-V159 HydrophobicContact CD2-CG1 4.19Å; F154-V159 HydrophobicContact CD2-CG2 4.22Å; F154-V159 HydrophobicContact CG-CG2 4.04Å; F154-G277 WeakPolarHBondContact CD2-O 3.1Å; F154-G277 PolarHBondContact N-O 3.21Å; F154-M279 HydrophobicContact CD2-CB 4.24Å; F154-M279 HydrophobicContact CE2-CB 3.55Å; F154-M279 HydrophobicContact CE2-CE 4.08Å; F154-M279 HydrophobicContact CE2-CG 4.19Å; F154-M279 HydrophobicContact CZ-CB 4.12Å; F154-M279 HydrophobicContact CZ-CG 4.46Å; F154-V328 HydrophobicContact CD2-CG1 3.82Å; F154-V328 HydrophobicContact CE2-CG1 3.46Å; F154-V328 VanDerWaalsContact CE2-CG1 3.46Å; F154-V328 HydrophobicContact CZ-CG1 4.33Å; F154-V387 HydrophobicContact CE1-CB 4.31Å; F154-V387 HydrophobicContact CE1-CG1 4.26Å; F154-V387 HydrophobicContact CE1-CG2 4.33Å; F154-V387 HydrophobicContact CZ-CB 4.32Å; F154-V387 HydrophobicContact CZ-CG2 3.93Å; F154-V390 HydrophobicContact CD1-CB 4.3Å; F154-V390 HydrophobicContact CD1-CG1 3.78Å; F154-V390 HydrophobicContact CE1-CB 3.72Å; F154-V390 HydrophobicContact CE1-CG1 3.7Å; F154-V390 HydrophobicContact CE2-CG1 4.44Å; F154-V390 HydrophobicContact CG-CG1 4.22Å; F154-V390 HydrophobicContact CZ-CB 3.98Å; F154-V390 HydrophobicContact CZ-CG1 4.04Å; F154-V390 HydrophobicContact CZ-CG2 4.43Å; F154-N391 WeakPolarHBondContact CD1-OD1 3.48Å; F154-I394 HydrophobicContact CB-CD1 4.46Å
155	D	98.1	Very high	96.9	Very high	41 Å²	41	55.6 Å²	55.6	22%	0.219	28%	0.277	C	S	.	.			trans	-71.9	111	170.7	-169.8	-25.3	0	0	0	110.4	N157 Y158 V159 I394 K398	D155-N157 PolarHBondContact O-N 2.84Å; D155-N157 VanDerWaalsContact OD1-CB 3.28Å; D155-N157 WeakPolarHBondContact OD1-CB 3.13Å; D155-N157 PolarHBondContact OD1-N 2.9Å; D155-N157 PolarHBondContact OD1-ND2 2.93Å; D155-Y158 HydrophobicContact CB-CD2 4Å; D155-Y158 PolarHBondContact O-N 2.81Å; D155-V159 PolarHBondContact O-N 2.88Å; D155-I394 HydrophobicContact CB-CD1 4.45Å; D155-I394 HydrophobicContact CB-CG2 4.26Å; D155-K398 VanDerWaalsContact OD2-CE 3.23Å; D155-K398 WeakPolarHBondContact OD2-CE 3.42Å; D155-K398 IonicContact OD2-NZ 2.91Å; D155-K398 PolarHBondContact OD2-NZ 3.2Å
156	E	97.5	Very high	96.9	Very high	111 Å²	111	52.9 Å²	52.9	52%	0.519	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.9	-176.4	-57.4	-163.5	147.7	0	0	113.8	F154 Y158 G276 G277	F154-E156 PolarHBondContact O-N 2.91Å; E156-Y158 PolarHBondContact O-N 3.01Å; E156-G276 WeakPolarHBondContact OE1-CA 3.45Å; E156-G277 PolarHBondContact OE1-N 3.25Å
157	N	97.2	Very high	96.9	Very high	129 Å²	129	52.4 Å²	52.4	69%	0.69	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-23.5	166.9	-61.8	-60.2	0	0	0	111.9	D155	D155-N157 PolarHBondContact O-N 2.84Å; D155-N157 VanDerWaalsContact OD1-CB 3.28Å; D155-N157 WeakPolarHBondContact OD1-CB 3.13Å; D155-N157 PolarHBondContact OD1-N 2.9Å; D155-N157 PolarHBondContact OD1-ND2 2.93Å
158	Y	97.8	Very high	96.9	Very high	23 Å²	23	48.4 Å²	48.4	9%	0.09	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-44.7	-178.7	-59.8	-90.6	0	0	0	111.9	D155 E156 V330 R331 I394 E397 K398 E401	D155-Y158 HydrophobicContact CB-CD2 4Å; D155-Y158 PolarHBondContact O-N 2.81Å; E156-Y158 PolarHBondContact O-N 3.01Å; Y158-V330 WeakPolarHBondContact O-CA 3.4Å; Y158-R331 PolarHBondContact O-N 3.42Å; Y158-I394 HydrophobicContact CD2-CG2 3.73Å; Y158-I394 HydrophobicContact CE2-CG2 4.07Å; Y158-I394 HydrophobicContact CG-CG1 4.35Å; Y158-I394 HydrophobicContact CG-CG2 4.07Å; Y158-E397 HydrophobicContact CD1-CB 4.47Å; Y158-E397 HydrophobicContact CD1-CG 3.93Å; Y158-E397 HydrophobicContact CE1-CB 4.18Å; Y158-E397 HydrophobicContact CE1-CG 3.54Å; Y158-K398 HydrophobicContact CE2-CD 4.35Å; Y158-K398 HydrophobicContact CE2-CG 4.07Å; Y158-K398 WeakPolarHBondContact OH-CG 3.48Å; Y158-E401 VanDerWaalsContact CE1-OE1 3.28Å; Y158-E401 WeakPolarHBondContact CE1-OE1 3.48Å; Y158-E401 VanDerWaalsContact OH-CD 3.26Å; Y158-E401 PolarHBondContact OH-OE1 2.81Å; Y158-E401 VanDerWaalsContact OH-OE1 3.06Å; Y158-E401 PolarHBondContact OH-OE2 2.87Å
159	V	97.8	Very high	96.9	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	118.2	-177.7	174.9	0	0	0	0	111	F154 D155 V328 H329 V330 V390 I394	F154-V159 HydrophobicContact CB-CB 3.95Å; F154-V159 HydrophobicContact CB-CG1 4.37Å; F154-V159 HydrophobicContact CB-CG2 3.64Å; F154-V159 HydrophobicContact CD2-CG1 4.19Å; F154-V159 HydrophobicContact CD2-CG2 4.22Å; F154-V159 HydrophobicContact CG-CG2 4.04Å; D155-V159 PolarHBondContact O-N 2.88Å; V159-V328 HydrophobicContact CG1-CB 3.94Å; V159-V328 HydrophobicContact CG1-CG1 3.9Å; V159-V328 HydrophobicContact CG2-CB 4.44Å; V159-V328 HydrophobicContact CG2-CG2 4.45Å; V159-H329 CarbonylContact C-O 3.55Å; V159-H329 WeakPolarHBondContact CA-O 3.28Å; V159-V330 HydrophobicContact CG2-CB 4.29Å; V159-V330 HydrophobicContact CG2-CG2 4.06Å; V159-V390 HydrophobicContact CG2-CG1 4.11Å; V159-I394 HydrophobicContact CG2-CD1 3.97Å
160	L	95.4	Very high	97	Very high	78 Å²	78	43.7 Å²	43.7	41%	0.408	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-34.5	-177.4	-53.2	-179.8	0	0	0	112.6	G276 H329 R331 T366	L160-G276 PolarHBondContact O-N 3.16Å; L160-H329 HydrophobicContact CB-CB 4.19Å; L160-H329 PolarHBondContact N-O 3.02Å; L160-R331 HydrophobicContact CD1-CG 4.05Å; L160-R331 HydrophobicContact CD2-CG 4.26Å; L160-R331 HydrophobicContact CG-CG 4.23Å; L160-T366 HydrophobicContact CD1-CG2 3.84Å
161	S	95.6	Very high	97.2	Very high	24 Å²	24	40.6 Å²	40.6	17%	0.168	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	155.5	179.3	62.8	0	0	0	0	111.4	E274 G276 V328 H329	S161-E274 WeakPolarHBondContact CA-O 3.36Å; S161-E274 WeakPolarHBondContact CB-O 3.28Å; S161-G276 CarbonylContact C-O 3.44Å; S161-G276 WeakPolarHBondContact CA-O 3.38Å; S161-V328 WeakPolarHBondContact O-CA 3.15Å; S161-V328 WeakPolarHBondContact O-CB 3.36Å; S161-H329 PolarHBondContact O-N 2.96Å; S161-H329 WeakPolarHBondContact OG-CB 3.24Å
162	S	97.8	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.1	179.3	-63.2	0	0	0	0	109.7	M273 E274 G276	S162-M273 VanDerWaalsContact O-CA 3.31Å; S162-M273 WeakPolarHBondContact O-CA 3.42Å; S162-E274 PolarHBondContact N-O 2.91Å; S162-E274 PolarHBondContact O-N 3.25Å; S162-G276 PolarHBondContact N-O 3.26Å; S162-G276 PolarHBondContact OG-O 2.91Å
163	R	97.8	Very high	98	Very high	50 Å²	50	36.9 Å²	36.9	19%	0.189	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	136.8	-176.9	175.8	168.2	178.8	-108.6	8.8	112	I271 S272 M273 A326 G327	R163-I271 HydrophobicContact CG-CG2 4.1Å; R163-I271 VanDerWaalsContact NH2-CD1 3.28Å; R163-S272 CarbonylContact C-O 3.59Å; R163-S272 WeakPolarHBondContact CA-O 3.32Å; R163-M273 HydrophobicContact CB-CB 3.9Å; R163-M273 HydrophobicContact CG-CB 3.95Å; R163-A326 CarbonylContact O-C 3.51Å; R163-A326 WeakPolarHBondContact O-CA 3.44Å; R163-G327 PolarHBondContact N-O 3.21Å; R163-G327 PolarHBondContact O-N 3.47Å
164	V	98.5	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.9	169.1	-176.8	0	0	0	0	108.3	I271 S272 M279 V282 F283 F286 L324 A326	V164-I271 WeakPolarHBondContact O-CA 2.93Å; V164-S272 PolarHBondContact N-O 3.44Å; V164-S272 PolarHBondContact O-N 3.07Å; V164-S272 VanDerWaalsContact O-O 3.13Å; V164-M279 HydrophobicContact CG2-SD 3.58Å; V164-M279 VanDerWaalsContact CG2-SD 3.58Å; V164-V282 HydrophobicContact CB-CG1 4.18Å; V164-V282 HydrophobicContact CG2-CG1 3.79Å; V164-F283 HydrophobicContact CG1-CD2 4.33Å; V164-F283 HydrophobicContact CG2-CD2 4.45Å; V164-F286 HydrophobicContact CB-CB 4.44Å; V164-F286 HydrophobicContact CB-CD2 4.16Å; V164-F286 HydrophobicContact CB-CG 4.19Å; V164-F286 HydrophobicContact CG1-CB 4.44Å; V164-F286 HydrophobicContact CG1-CD1 3.87Å; V164-F286 HydrophobicContact CG1-CD2 3.79Å; V164-F286 HydrophobicContact CG1-CE1 4Å; V164-F286 HydrophobicContact CG1-CE2 3.91Å; V164-F286 HydrophobicContact CG1-CG 3.76Å; V164-F286 HydrophobicContact CG1-CZ 4.01Å; V164-L324 HydrophobicContact CG1-CD1 3.91Å; V164-L324 HydrophobicContact CG1-CG 4.1Å; V164-A326 HydrophobicContact CG1-CB 4.46Å; V164-A326 HydrophobicContact CG2-CB 3.95Å
165	R	97.8	Very high	98	Very high	35 Å²	35	31.4 Å²	31.4	13%	0.132	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154.7	173.6	68.6	165.1	-171.1	-177.7	8.6	112.3	V270 I271 L324 R325	R165-V270 CarbonylContact C-O 3.53Å; R165-V270 WeakPolarHBondContact CA-O 3.37Å; R165-I271 HydrophobicContact CB-CG1 3.87Å; R165-L324 CarbonylContact O-C 3.54Å; R165-L324 VanDerWaalsContact O-CA 3.28Å; R165-L324 WeakPolarHBondContact O-CA 3.19Å; R165-R325 HydrophobicContact CG-CB 3.77Å; R165-R325 PolarHBondContact N-O 2.8Å; R165-R325 PolarHBondContact O-N 2.63Å
166	T	98.6	Very high	98.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	178.4	164.3	-167.7	0	0	0	0	110.5	R168 R269 V270 F286 L290 T322 G323	T166-R168 PolarHBondContact OG1-NH1 2.88Å; T166-R269 CarbonylContact O-C 3.6Å; T166-R269 VanDerWaalsContact O-CA 3.29Å; T166-R269 WeakPolarHBondContact O-CA 3.31Å; T166-R269 WeakPolarHBondContact O-CD 3.28Å; T166-V270 HydrophobicContact CG2-CB 4.25Å; T166-V270 PolarHBondContact N-O 3.41Å; T166-V270 PolarHBondContact O-N 3.17Å; T166-F286 HydrophobicContact CG2-CE2 3.81Å; T166-F286 HydrophobicContact CG2-CZ 3.47Å; T166-F286 VanDerWaalsContact CG2-CZ 3.47Å; T166-L290 HydrophobicContact CG2-CD1 4.17Å; T166-L290 HydrophobicContact CG2-CD2 4.02Å; T166-T322 PolarHBondContact OG1-O 3.22Å; T166-G323 WeakPolarHBondContact CA-O 3.44Å
167	G	98.4	Very high	98.1	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	157.2	164.6	0	0	0	0	0	111.9	T268 L314	G167-T268 WeakPolarHBondContact CA-O 3.47Å; G167-L314 VanDerWaalsContact C-CD2 3.49Å
168	R	98.8	Very high	98.2	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.2	167.3	-63.4	-69.5	-179.8	-100.1	13.1	110.3	T166 T268 L290 F304 Y312	T166-R168 PolarHBondContact OG1-NH1 2.88Å; R168-T268 WeakPolarHBondContact CB-OG1 3.38Å; R168-T268 PolarHBondContact N-O 3.4Å; R168-T268 VanDerWaalsContact N-O 3.12Å; R168-T268 PolarHBondContact N-OG1 2.9Å; R168-T268 PolarHBondContact O-N 2.93Å; R168-T268 VanDerWaalsContact O-N 3.08Å; R168-T268 PolarHBondContact O-OG1 3.3Å; R168-L290 HydrophobicContact CG-CD1 4.1Å; R168-F304 HydrophobicContact CB-CD1 3.7Å; R168-F304 HydrophobicContact CB-CD2 4.38Å; R168-F304 HydrophobicContact CB-CE1 3.51Å; R168-F304 HydrophobicContact CB-CE2 4.2Å; R168-F304 HydrophobicContact CB-CG 4.14Å; R168-F304 HydrophobicContact CB-CZ 3.78Å; R168-F304 HydrophobicContact CG-CD1 4.34Å; R168-F304 HydrophobicContact CG-CD2 4.14Å; R168-F304 HydrophobicContact CG-CE1 4.09Å; R168-F304 HydrophobicContact CG-CE2 3.85Å; R168-F304 HydrophobicContact CG-CG 4.37Å; R168-F304 HydrophobicContact CG-CZ 3.82Å; R168-Y312 VanDerWaalsContact CD-CD1 3.47Å; R168-Y312 VanDerWaalsContact CZ-CD2 3.41Å; R168-Y312 VanDerWaalsContact CZ-CE2 3.43Å; R168-Y312 VanDerWaalsContact NH2-CD2 3.3Å
169	S	98.9	Very high	98.2	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.007	11%	0.109	C	C	.	.			trans	-114.1	128.7	176.2	-64.4	0	0	0	0	110.6	L175 F304 M305 I313	S169-L175 VanDerWaalsContact OG-CD2 3.27Å; S169-L175 WeakPolarHBondContact OG-CD2 3.39Å; S169-F304 CarbonylContact O-C 3.5Å; S169-F304 VanDerWaalsContact O-CA 3.26Å; S169-F304 WeakPolarHBondContact O-CA 3.43Å; S169-M305 VanDerWaalsContact CB-SD 3.53Å; S169-M305 PolarHBondContact O-N 3.46Å; S169-I313 WeakPolarHBondContact CB-O 3.27Å; S169-I313 PolarHBondContact OG-O 3.18Å
170	I	98.9	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-70.3	121.4	172.5	-49.4	-56.4	0	0	0	110.4	L173 V187 V190 V191 H267 I297 W302 F304 M305	I170-L173 HydrophobicContact CB-CD1 4.26Å; I170-L173 HydrophobicContact CG2-CD1 4.02Å; I170-V187 HydrophobicContact CG1-CG1 4.48Å; I170-V190 HydrophobicContact CD1-CG1 4.43Å; I170-V191 HydrophobicContact CD1-CG2 4.26Å; I170-V191 HydrophobicContact CG1-CG2 4.36Å; I170-H267 PolarHBondContact N-ND1 2.99Å; I170-H267 VanDerWaalsContact N-ND1 3.14Å; I170-I297 HydrophobicContact CD1-CD1 3.97Å; I170-I297 HydrophobicContact CD1-CG2 4.26Å; I170-W302 HydrophobicContact CG2-CB 4.34Å; I170-W302 HydrophobicContact CG2-CD2 4Å; I170-W302 HydrophobicContact CG2-CE3 3.36Å; I170-W302 HydrophobicContact CG2-CG 4.43Å; I170-W302 HydrophobicContact CG2-CZ3 3.98Å; I170-F304 HydrophobicContact CD1-CD1 4Å; I170-F304 HydrophobicContact CD1-CE1 3.77Å; I170-M305 VanDerWaalsContact O-CE 3.31Å; I170-M305 WeakPolarHBondContact O-CE 3.32Å
171	R	98.8	Very high	98.4	Very high	81 Å²	81	23.9 Å²	23.9	31%	0.306	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	144.1	178.4	173.8	169.2	-74.9	162.8	-0.9	111.5	E112 L173 E303 M305 W306	E112-R171 IonicContact OE1-CZ 2.81Å; E112-R171 IonicContact OE1-NE 3.4Å; E112-R171 PolarHBondContact OE1-NE 3.47Å; E112-R171 IonicContact OE1-NH2 3.32Å; E112-R171 PolarHBondContact OE1-NH2 3.33Å; E112-R171 WeakPolarHBondContact OE2-CG 3.45Å; E112-R171 IonicContact OE2-CZ 2.67Å; E112-R171 IonicContact OE2-NE 3.26Å; E112-R171 PolarHBondContact OE2-NE 2.95Å; E112-R171 IonicContact OE2-NH2 3.78Å; R171-L173 VanDerWaalsContact C-N 3.32Å; R171-E303 HydrophobicContact CB-CB 4.23Å; R171-E303 WeakPolarHBondContact CB-O 3.45Å; R171-E303 IonicContact CZ-OE2 2.66Å; R171-E303 PolarHBondContact N-O 3.48Å; R171-E303 IonicContact NH1-OE2 2.63Å; R171-E303 PolarHBondContact NH1-OE2 2.85Å; R171-M305 HydrophobicContact CB-CG 4.06Å; R171-W306 PolarHBondContact NH2-O 2.92Å
172	G	98.3	Very high	98.6	Very high	63 Å²	63	26 Å²	26	65%	0.649	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.4	-0.8	179.8	0	0	0	0	0	115
173	L	98.8	Very high	98.6	Very high	15 Å²	15	28.1 Å²	28.1	8%	0.079	16%	0.16	C	C	.	.	S	Bend	trans	-117.7	134.7	174.1	-62	172.2	0	0	0	109.1	I170 R171 E183 E186 V187 H267 W302 M305	I170-L173 HydrophobicContact CB-CD1 4.26Å; I170-L173 HydrophobicContact CG2-CD1 4.02Å; R171-L173 VanDerWaalsContact C-N 3.32Å; L173-E183 HydrophobicContact CD2-CB 4.21Å; L173-E183 HydrophobicContact CD2-CG 4.1Å; L173-E186 HydrophobicContact CD1-CB 4.29Å; L173-E186 HydrophobicContact CD1-CG 4.05Å; L173-E186 HydrophobicContact CD2-CB 4.33Å; L173-E186 HydrophobicContact CD2-CG 4.19Å; L173-V187 HydrophobicContact CB-CG2 4.14Å; L173-V187 HydrophobicContact CD1-CB 4.45Å; L173-V187 HydrophobicContact CD1-CG2 3.52Å; L173-V187 HydrophobicContact CG-CG2 4.44Å; L173-H267 PolarHBondContact O-CE1 2.98Å; L173-W302 HydrophobicContact CD1-CH2 4.16Å; L173-W302 HydrophobicContact CD1-CZ3 3.93Å; L173-W302 HydrophobicContact CD2-CH2 4.42Å; L173-W302 HydrophobicContact CD2-CZ3 4.48Å; L173-W302 HydrophobicContact CG-CH2 4.35Å; L173-W302 HydrophobicContact CG-CZ3 3.98Å; L173-M305 WeakPolarHBondContact O-CE 3.45Å
174	S	98.9	Very high	98.7	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.028	15%	0.151	C	C	.	.			trans	-62	147.4	178.8	-52.3	0	0	0	0	111.2	C179 E183 H267	S174-C179 VanDerWaalsContact O-CB 3.31Å; S174-C179 WeakPolarHBondContact O-CB 3.36Å; S174-E183 WeakPolarHBondContact CB-OE1 3.21Å; S174-E183 PolarHBondContact N-OE1 3.15Å; S174-E183 PolarHBondContact OG-OE1 2.9Å; S174-H267 PolarHBondContact O-NE2 3.37Å
175	L	98.9	Very high	98.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.173	C	C	.	.			trans	-68.3	163.3	177.7	-63.4	172.2	0	0	0	111.6	A109 G110 S169 P177 A178 C179 M305	A109-L175 HydrophobicContact CB-CD1 3.75Å; G110-L175 WeakPolarHBondContact O-CB 3.47Å; G110-L175 PolarHBondContact O-N 2.96Å; S169-L175 VanDerWaalsContact OG-CD2 3.27Å; S169-L175 WeakPolarHBondContact OG-CD2 3.39Å; L175-P177 VanDerWaalsContact C-N 3.32Å; L175-P177 WeakPolarHBondContact O-CD 3.44Å; L175-A178 PolarHBondContact O-N 2.93Å; L175-C179 PolarHBondContact O-N 3.45Å; L175-M305 HydrophobicContact CD2-CE 4.22Å; L175-M305 HydrophobicContact CD2-SD 3.95Å; L175-M305 HydrophobicContact CG-SD 4.5Å
176	P	98.8	Very high	98.8	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.026	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-36.3	-175.4	-29.7	36.3	0	0	0	117.1	A178 M240 R242 T315	P176-A178 VanDerWaalsContact C-N 3.28Å; P176-A178 PolarHBondContact O-N 3.03Å; P176-M240 HydrophobicContact CB-CG 4.38Å; P176-R242 PolarHBondContact O-NH2 2.9Å; P176-R242 VanDerWaalsContact O-NH2 3.08Å; P176-T315 WeakPolarHBondContact CD-OG1 3.27Å
177	P	98.7	Very high	98.8	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.013	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-38.1	175.7	-28.5	38.6	0	0	0	113.3	W84 V108 L175 A238 M240 R242 T315	W84-P177 HydrophobicContact CH2-CB 3.65Å; W84-P177 HydrophobicContact CZ2-CB 3.78Å; V108-P177 HydrophobicContact CB-CG 4.18Å; V108-P177 HydrophobicContact CG2-CB 4.2Å; V108-P177 HydrophobicContact CG2-CG 3.91Å; L175-P177 VanDerWaalsContact C-N 3.32Å; L175-P177 WeakPolarHBondContact O-CD 3.44Å; P177-A238 WeakPolarHBondContact CA-O 3.46Å; P177-A238 VanDerWaalsContact CB-O 3.29Å; P177-A238 WeakPolarHBondContact CB-O 3.46Å; P177-M240 HydrophobicContact CG-CG 3.93Å; P177-M240 HydrophobicContact CG-SD 4.33Å; P177-R242 PolarHBondContact O-NH2 3.35Å; P177-T315 HydrophobicContact CG-CG2 3.35Å
178	A	98.8	Very high	98.8	Very high	30 Å²	30	34.2 Å²	34.2	25%	0.248	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-22.9	-170.4	0	0	0	0	0	114.1	W84 G110 L175 P176 S180	W84-A178 HydrophobicContact CD2-CB 4.05Å; W84-A178 HydrophobicContact CE3-CB 3.44Å; W84-A178 VanDerWaalsContact CE3-CB 3.44Å; W84-A178 HydrophobicContact CH2-CB 4.23Å; W84-A178 HydrophobicContact CZ3-CB 3.55Å; G110-A178 WeakPolarHBondContact O-CB 3.29Å; L175-A178 PolarHBondContact O-N 2.93Å; P176-A178 VanDerWaalsContact C-N 3.28Å; P176-A178 PolarHBondContact O-N 3.03Å; A178-S180 PolarHBondContact O-N 3.17Å
179	C	98.8	Very high	98.8	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.014	21%	0.207	C	C	.	.			trans	-57.7	138.2	-170.7	73.4	0	0	0	0	113.7	S174 L175 E183 R184 R242	S174-C179 VanDerWaalsContact O-CB 3.31Å; S174-C179 WeakPolarHBondContact O-CB 3.36Å; L175-C179 PolarHBondContact O-N 3.45Å; C179-E183 HydrophobicContact CB-CB 4.15Å; C179-R184 PolarHBondContact SG-NH2 2.77Å; C179-R184 VanDerWaalsContact SG-NH2 3.41Å; C179-R242 PolarHBondContact O-NH1 3.41Å; C179-R242 PolarHBondContact O-NH2 3.3Å
180	S	98.8	Very high	98.8	Very high	49 Å²	49	39.7 Å²	39.7	34%	0.343	21%	0.207	S	C	.	.			trans	-71.2	166.4	166.7	65.8	0	0	0	0	111.1	A178 A182 E183 R184	A178-S180 PolarHBondContact O-N 3.17Å; S180-A182 PolarHBondContact O-N 3.44Å; S180-E183 WeakPolarHBondContact CB-OE2 3.34Å; S180-E183 PolarHBondContact N-OE2 3.22Å; S180-E183 PolarHBondContact O-N 2.84Å; S180-E183 WeakPolarHBondContact OG-CG 3.42Å; S180-E183 PolarHBondContact OG-N 2.89Å; S180-E183 PolarHBondContact OG-OE2 3.14Å; S180-R184 WeakPolarHBondContact O-CB 3.29Å; S180-R184 PolarHBondContact O-N 3.41Å
181	R	98.8	Very high	98.8	Very high	138 Å²	138	39.8 Å²	39.8	52%	0.521	21%	0.207	S	C	.	.	H	α-helix	trans	-57.4	-36.7	171.5	-73.7	-178.1	-71.2	-86.9	0.4	112	R185 D243	R181-R185 WeakPolarHBondContact O-CB 3.36Å; R181-R185 WeakPolarHBondContact O-CD 3.46Å; R181-R185 WeakPolarHBondContact O-CG 3.28Å; R181-R185 PolarHBondContact O-N 2.88Å; R181-D243 WeakPolarHBondContact CD-OD1 3.44Å; R181-D243 HydrophobicContact CG-CB 4.11Å; R181-D243 IonicContact CZ-OD1 3.72Å; R181-D243 IonicContact NH1-OD1 3.83Å; R181-D243 PolarHBondContact NH1-OD1 2.95Å
182	A	98.8	Very high	98.8	Very high	69 Å²	69	37.7 Å²	37.7	57%	0.57	20%	0.203	S	C	*	.	H	α-helix	trans	-67.8	-48.6	-179.9	0	0	0	0	0	111.8	S180 R184 R185 E186	S180-A182 PolarHBondContact O-N 3.44Å; A182-R184 VanDerWaalsContact C-N 3.31Å; A182-R184 PolarHBondContact O-N 2.95Å; A182-R185 PolarHBondContact O-N 2.89Å; A182-E186 PolarHBondContact O-N 2.7Å
183	E	98.8	Very high	98.8	Very high	43 Å²	43	36.9 Å²	36.9	20%	0.201	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-41.5	176.3	-71.6	165.4	104.2	0	0	111.6	L173 S174 C179 S180 R185 E186 V187	L173-E183 HydrophobicContact CD2-CB 4.21Å; L173-E183 HydrophobicContact CD2-CG 4.1Å; S174-E183 WeakPolarHBondContact CB-OE1 3.21Å; S174-E183 PolarHBondContact N-OE1 3.15Å; S174-E183 PolarHBondContact OG-OE1 2.9Å; C179-E183 HydrophobicContact CB-CB 4.15Å; S180-E183 WeakPolarHBondContact CB-OE2 3.34Å; S180-E183 PolarHBondContact N-OE2 3.22Å; S180-E183 PolarHBondContact O-N 2.84Å; S180-E183 WeakPolarHBondContact OG-CG 3.42Å; S180-E183 PolarHBondContact OG-N 2.89Å; S180-E183 PolarHBondContact OG-OE2 3.14Å; E183-R185 PolarHBondContact O-N 3.31Å; E183-E186 WeakPolarHBondContact O-CB 3.42Å; E183-E186 PolarHBondContact O-N 2.77Å; E183-E186 VanDerWaalsContact O-N 3.13Å; E183-V187 WeakPolarHBondContact O-CG2 3.48Å; E183-V187 PolarHBondContact O-N 2.82Å
184	R	98.9	Very high	98.7	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-45	177.9	-167.7	-176.9	-63.2	126	3	112.5	C179 S180 A182 E186 V187 E188 D243 D246 A247 R248 N263	C179-R184 PolarHBondContact SG-NH2 2.77Å; C179-R184 VanDerWaalsContact SG-NH2 3.41Å; S180-R184 WeakPolarHBondContact O-CB 3.29Å; S180-R184 PolarHBondContact O-N 3.41Å; A182-R184 VanDerWaalsContact C-N 3.31Å; A182-R184 PolarHBondContact O-N 2.95Å; R184-E186 VanDerWaalsContact C-N 3.26Å; R184-E186 PolarHBondContact O-N 3.17Å; R184-V187 WeakPolarHBondContact O-CB 3.27Å; R184-V187 PolarHBondContact O-N 3.26Å; R184-E188 PolarHBondContact O-N 3.35Å; R184-D243 IonicContact CZ-OD2 2.65Å; R184-D243 IonicContact NH1-OD2 2.75Å; R184-D243 PolarHBondContact NH1-OD2 3.23Å; R184-D243 IonicContact NH2-OD2 3.82Å; R184-D246 WeakPolarHBondContact CD-O 3.49Å; R184-A247 HydrophobicContact CG-CB 3.97Å; R184-R248 VanDerWaalsContact CD-NH1 3.3Å; R184-R248 VanDerWaalsContact NE-CZ 3.27Å; R184-R248 VanDerWaalsContact NE-NH2 3.2Å; R184-N263 HydrophobicContact CG-CB 3.92Å; R184-N263 WeakPolarHBondContact CG-ND2 3.5Å; R184-N263 PolarHBondContact O-ND2 2.97Å
185	R	98.8	Very high	98.7	Very high	123 Å²	123	36 Å²	36	46%	0.464	18%	0.181	S	C	.	.	H	α-helix	trans	-63.4	-33.6	173.9	-71.7	165	-176.3	-170.8	-6.9	111.7	R181 A182 E183 E188 R189 D246 A247	R181-R185 WeakPolarHBondContact O-CB 3.36Å; R181-R185 WeakPolarHBondContact O-CD 3.46Å; R181-R185 WeakPolarHBondContact O-CG 3.28Å; R181-R185 PolarHBondContact O-N 2.88Å; A182-R185 PolarHBondContact O-N 2.89Å; E183-R185 PolarHBondContact O-N 3.31Å; R185-E188 PolarHBondContact O-N 2.84Å; R185-R189 WeakPolarHBondContact O-CB 3.37Å; R185-R189 PolarHBondContact O-N 3.49Å; R185-D246 IonicContact CZ-OD1 3.4Å; R185-D246 IonicContact CZ-OD2 3.8Å; R185-D246 IonicContact NE-OD1 3.24Å; R185-D246 PolarHBondContact NE-OD1 3.14Å; R185-D246 VanDerWaalsContact NE-OD1 3.12Å; R185-D246 IonicContact NE-OD2 2.94Å; R185-D246 PolarHBondContact NE-OD2 3.48Å; R185-D246 IonicContact NH2-OD1 3.12Å; R185-D246 IonicContact NH2-OD2 2.71Å; R185-D246 PolarHBondContact NH2-OD2 3.34Å; R185-A247 HydrophobicContact CB-CB 4.37Å; R185-A247 HydrophobicContact CG-CB 3.7Å
186	E	98.9	Very high	98.7	Very high	53 Å²	53	40 Å²	40	25%	0.248	21%	0.214	C	C	.	.	H	α-helix	trans	-69.6	-41	175.2	-173.5	61.7	-175.2	0	0	112	L173 A182 E183 R184 E188 R189 V190 W302	L173-E186 HydrophobicContact CD1-CB 4.29Å; L173-E186 HydrophobicContact CD1-CG 4.05Å; L173-E186 HydrophobicContact CD2-CB 4.33Å; L173-E186 HydrophobicContact CD2-CG 4.19Å; A182-E186 PolarHBondContact O-N 2.7Å; E183-E186 WeakPolarHBondContact O-CB 3.42Å; E183-E186 PolarHBondContact O-N 2.77Å; E183-E186 VanDerWaalsContact O-N 3.13Å; R184-E186 VanDerWaalsContact C-N 3.26Å; R184-E186 PolarHBondContact O-N 3.17Å; E186-E188 VanDerWaalsContact C-N 3.33Å; E186-E188 PolarHBondContact O-N 2.79Å; E186-R189 PolarHBondContact O-N 3.35Å; E186-R189 IonicContact OE1-CZ 3.72Å; E186-R189 IonicContact OE1-NE 3.91Å; E186-R189 PolarHBondContact OE1-NE 2.78Å; E186-R189 IonicContact OE1-NH2 3.62Å; E186-R189 PolarHBondContact OE1-NH2 2.92Å; E186-R189 IonicContact OE2-CZ 3.75Å; E186-R189 IonicContact OE2-NE 3.7Å; E186-R189 PolarHBondContact OE2-NE 3.33Å; E186-R189 IonicContact OE2-NH2 2.87Å; E186-V190 HydrophobicContact CG-CG2 4.37Å; E186-V190 WeakPolarHBondContact O-CB 3.25Å; E186-V190 VanDerWaalsContact O-CG2 3.25Å; E186-V190 WeakPolarHBondContact O-CG2 3.26Å; E186-V190 PolarHBondContact O-N 3.4Å; E186-W302 HydrophobicContact CG-CH2 4.07Å; E186-W302 HydrophobicContact CG-CZ2 4.19Å; E186-W302 VanDerWaalsContact OE1-CZ2 3.3Å; E186-W302 WeakPolarHBondContact OE1-CZ2 3.4Å
187	V	98.9	Very high	98.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-55.8	-49.8	170	172.7	0	0	0	0	110.3	I170 L173 E183 R184 R189 V190 V191 N263 H267	I170-V187 HydrophobicContact CG1-CG1 4.48Å; L173-V187 HydrophobicContact CB-CG2 4.14Å; L173-V187 HydrophobicContact CD1-CB 4.45Å; L173-V187 HydrophobicContact CD1-CG2 3.52Å; L173-V187 HydrophobicContact CG-CG2 4.44Å; E183-V187 WeakPolarHBondContact O-CG2 3.48Å; E183-V187 PolarHBondContact O-N 2.82Å; R184-V187 WeakPolarHBondContact O-CB 3.27Å; R184-V187 PolarHBondContact O-N 3.26Å; V187-R189 PolarHBondContact O-N 3.46Å; V187-V190 PolarHBondContact O-N 3.32Å; V187-V191 HydrophobicContact CG1-CG2 4.2Å; V187-V191 WeakPolarHBondContact O-CB 3.3Å; V187-V191 WeakPolarHBondContact O-CG2 3.45Å; V187-V191 PolarHBondContact O-N 3.37Å; V187-N263 VanDerWaalsContact CG1-OD1 3.25Å; V187-N263 WeakPolarHBondContact CG1-OD1 3.29Å; V187-H267 HydrophobicContact CG1-CB 3.64Å; V187-H267 HydrophobicContact CG2-CB 4.49Å
188	E	98.8	Very high	98.6	Very high	37 Å²	37	41.5 Å²	41.5	17%	0.173	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-50.4	178.2	177.5	-177.2	-135.6	0	0	111.1	R184 R185 E186 V190 V191 V192 Y206 A247 V262	R184-E188 PolarHBondContact O-N 3.35Å; R185-E188 PolarHBondContact O-N 2.84Å; E186-E188 VanDerWaalsContact C-N 3.33Å; E186-E188 PolarHBondContact O-N 2.79Å; E188-V190 PolarHBondContact O-N 2.92Å; E188-V191 PolarHBondContact O-N 3.05Å; E188-V192 HydrophobicContact CG-CG2 4.02Å; E188-V192 VanDerWaalsContact O-CB 3.26Å; E188-V192 WeakPolarHBondContact O-CB 3.46Å; E188-V192 WeakPolarHBondContact O-CG2 3.15Å; E188-V192 PolarHBondContact O-N 2.78Å; E188-Y206 HydrophobicContact CG-CE1 4.37Å; E188-Y206 WeakPolarHBondContact OE1-CE1 3.37Å; E188-Y206 PolarHBondContact OE1-OH 2.87Å; E188-A247 HydrophobicContact CB-CB 4.16Å; E188-A247 VanDerWaalsContact OE2-CA 3.32Å; E188-A247 WeakPolarHBondContact OE2-CA 3.44Å; E188-A247 WeakPolarHBondContact OE2-CB 3.38Å; E188-V262 HydrophobicContact CB-CG1 4.27Å
189	R	98.8	Very high	98.6	Very high	117 Å²	117	47.9 Å²	47.9	44%	0.442	25%	0.25	S	S	.	.	H	α-helix	trans	-57.4	-50.9	179.5	-169.7	-165.5	70.5	74.9	-1.1	111.4	R185 E186 V187 T193	R185-R189 WeakPolarHBondContact O-CB 3.37Å; R185-R189 PolarHBondContact O-N 3.49Å; E186-R189 PolarHBondContact O-N 3.35Å; E186-R189 IonicContact OE1-CZ 3.72Å; E186-R189 IonicContact OE1-NE 3.91Å; E186-R189 PolarHBondContact OE1-NE 2.78Å; E186-R189 IonicContact OE1-NH2 3.62Å; E186-R189 PolarHBondContact OE1-NH2 2.92Å; E186-R189 IonicContact OE2-CZ 3.75Å; E186-R189 IonicContact OE2-NE 3.7Å; E186-R189 PolarHBondContact OE2-NE 3.33Å; E186-R189 IonicContact OE2-NH2 2.87Å; V187-R189 PolarHBondContact O-N 3.46Å; R189-T193 WeakPolarHBondContact O-CB 3.31Å; R189-T193 PolarHBondContact O-N 3.24Å; R189-T193 PolarHBondContact O-OG1 3.06Å
190	V	98.6	Very high	98.5	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-59.2	-51.2	-179.4	170	0	0	0	0	110.5	I170 E186 V187 E188 A194 W302	I170-V190 HydrophobicContact CD1-CG1 4.43Å; E186-V190 HydrophobicContact CG-CG2 4.37Å; E186-V190 WeakPolarHBondContact O-CB 3.25Å; E186-V190 VanDerWaalsContact O-CG2 3.25Å; E186-V190 WeakPolarHBondContact O-CG2 3.26Å; E186-V190 PolarHBondContact O-N 3.4Å; V187-V190 PolarHBondContact O-N 3.32Å; E188-V190 PolarHBondContact O-N 2.92Å; V190-A194 PolarHBondContact O-N 3.18Å; V190-A194 VanDerWaalsContact O-N 3.09Å; V190-W302 HydrophobicContact CG1-CB 4.31Å; V190-W302 HydrophobicContact CG1-CD2 4.25Å; V190-W302 HydrophobicContact CG1-CG 3.86Å; V190-W302 HydrophobicContact CG2-CD2 3.99Å; V190-W302 VanDerWaalsContact CG2-CE2 3.43Å; V190-W302 HydrophobicContact CG2-CG 4.29Å; V190-W302 HydrophobicContact CG2-CH2 4.5Å; V190-W302 HydrophobicContact CG2-CZ2 3.73Å
191	V	98.7	Very high	98.5	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-64.7	-54	-177.3	174	0	0	0	0	110.3	I170 V187 E188 T193 A194 L195 V262 T268	I170-V191 HydrophobicContact CD1-CG2 4.26Å; I170-V191 HydrophobicContact CG1-CG2 4.36Å; V187-V191 HydrophobicContact CG1-CG2 4.2Å; V187-V191 WeakPolarHBondContact O-CB 3.3Å; V187-V191 WeakPolarHBondContact O-CG2 3.45Å; V187-V191 PolarHBondContact O-N 3.37Å; E188-V191 PolarHBondContact O-N 3.05Å; V191-T193 VanDerWaalsContact C-N 3.26Å; V191-T193 PolarHBondContact O-N 2.92Å; V191-A194 WeakPolarHBondContact O-CB 3.27Å; V191-A194 PolarHBondContact O-N 2.91Å; V191-L195 HydrophobicContact CG1-CD1 3.79Å; V191-L195 HydrophobicContact CG1-CG 4.09Å; V191-L195 VanDerWaalsContact O-CG 3.29Å; V191-L195 WeakPolarHBondContact O-CG 3.35Å; V191-L195 PolarHBondContact O-N 3.37Å; V191-V262 HydrophobicContact CG1-CG2 3.91Å; V191-T268 HydrophobicContact CB-CG2 4.32Å; V191-T268 HydrophobicContact CG1-CG2 3.84Å; V191-T268 HydrophobicContact CG2-CG2 3.5Å; V191-T268 VanDerWaalsContact CG2-CG2 3.5Å
192	V	98.6	Very high	98.4	Very high	38 Å²	38	45.8 Å²	45.8	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-39.5	-177.7	173.6	0	0	0	0	111.6	E188 A194 L195 A196 Y206	E188-V192 HydrophobicContact CG-CG2 4.02Å; E188-V192 VanDerWaalsContact O-CB 3.26Å; E188-V192 WeakPolarHBondContact O-CB 3.46Å; E188-V192 WeakPolarHBondContact O-CG2 3.15Å; E188-V192 PolarHBondContact O-N 2.78Å; V192-A194 VanDerWaalsContact C-N 3.35Å; V192-A194 PolarHBondContact O-N 3.39Å; V192-L195 PolarHBondContact O-N 3.01Å; V192-A196 PolarHBondContact O-N 3Å; V192-Y206 HydrophobicContact CG1-CD1 4.05Å; V192-Y206 HydrophobicContact CG1-CG 4.17Å; V192-Y206 HydrophobicContact CG2-CD1 3.62Å; V192-Y206 HydrophobicContact CG2-CD2 3.75Å; V192-Y206 HydrophobicContact CG2-CE1 3.65Å; V192-Y206 HydrophobicContact CG2-CE2 3.78Å; V192-Y206 HydrophobicContact CG2-CG 3.65Å
193	T	98.4	Very high	98.4	Very high	45 Å²	45	43.8 Å²	43.8	28%	0.276	24%	0.243	S	C	.	.	H	α-helix	trans	-70	-32.7	178.9	-40	0	0	0	0	112.2	R189 V191 R300	R189-T193 WeakPolarHBondContact O-CB 3.31Å; R189-T193 PolarHBondContact O-N 3.24Å; R189-T193 PolarHBondContact O-OG1 3.06Å; V191-T193 VanDerWaalsContact C-N 3.26Å; V191-T193 PolarHBondContact O-N 2.92Å; T193-R300 PolarHBondContact O-NH2 2.81Å
194	A	98.3	Very high	98.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.6	-45.1	170.6	0	0	0	0	0	111.2	V190 V191 V192 A196 G197 L296 I297	V190-A194 PolarHBondContact O-N 3.18Å; V190-A194 VanDerWaalsContact O-N 3.09Å; V191-A194 WeakPolarHBondContact O-CB 3.27Å; V191-A194 PolarHBondContact O-N 2.91Å; V192-A194 VanDerWaalsContact C-N 3.35Å; V192-A194 PolarHBondContact O-N 3.39Å; A194-A196 VanDerWaalsContact C-N 3.27Å; A194-A196 PolarHBondContact O-N 2.81Å; A194-G197 PolarHBondContact O-N 3.46Å; A194-L296 HydrophobicContact CB-CB 3.96Å; A194-L296 WeakPolarHBondContact O-CD1 3.37Å; A194-I297 HydrophobicContact CB-CD1 4.49Å; A194-I297 HydrophobicContact CB-CG1 3.58Å
195	L	98.4	Very high	98.3	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-30.3	-179.2	-61.8	-175.9	0	0	0	113.7	V191 V192 G197 L198 W251 I260 V293	V191-L195 HydrophobicContact CG1-CD1 3.79Å; V191-L195 HydrophobicContact CG1-CG 4.09Å; V191-L195 VanDerWaalsContact O-CG 3.29Å; V191-L195 WeakPolarHBondContact O-CG 3.35Å; V191-L195 PolarHBondContact O-N 3.37Å; V192-L195 PolarHBondContact O-N 3.01Å; L195-G197 PolarHBondContact O-N 2.61Å; L195-L198 HydrophobicContact CD2-CD1 3.79Å; L195-L198 WeakPolarHBondContact O-CB 3.42Å; L195-L198 PolarHBondContact O-N 3.38Å; L195-L198 VanDerWaalsContact O-N 3.16Å; L195-W251 HydrophobicContact CB-CD2 4.4Å; L195-W251 HydrophobicContact CB-CG 4.22Å; L195-W251 HydrophobicContact CD1-CB 3.56Å; L195-W251 HydrophobicContact CD1-CD2 3.93Å; L195-W251 HydrophobicContact CD1-CE3 4.43Å; L195-W251 HydrophobicContact CD1-CG 3.53Å; L195-W251 HydrophobicContact CG-CG 4.43Å; L195-I260 HydrophobicContact CD1-CB 4.15Å; L195-I260 HydrophobicContact CD1-CD1 3.94Å; L195-I260 HydrophobicContact CD1-CG2 4.24Å; L195-I260 HydrophobicContact CD2-CD1 3.32Å; L195-I260 HydrophobicContact CG-CD1 4.27Å; L195-V293 HydrophobicContact CD2-CG1 4.25Å; L195-V293 HydrophobicContact CD2-CG2 3.69Å
196	A	98.1	Very high	98.2	Very high	83 Å²	83	46.1 Å²	46.1	69%	0.686	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.9	172.3	0	0	0	0	0	113.6	V192 A194	V192-A196 PolarHBondContact O-N 3Å; A194-A196 VanDerWaalsContact C-N 3.27Å; A194-A196 PolarHBondContact O-N 2.81Å
197	G	97.9	Very high	98.1	Very high	28 Å²	28	45.7 Å²	45.7	29%	0.289	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.7	176.1	0	0	0	0	0	114.7	A194 L195	A194-G197 PolarHBondContact O-N 3.46Å; L195-G197 PolarHBondContact O-N 2.61Å
198	L	98.4	Very high	98	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.052	27%	0.265	C	S	.	.			trans	-68.9	139.6	178.9	-66.6	174.6	0	0	0	111.3	L195 L202 W251 Q292 V293 L296	L195-L198 HydrophobicContact CD2-CD1 3.79Å; L195-L198 WeakPolarHBondContact O-CB 3.42Å; L195-L198 PolarHBondContact O-N 3.38Å; L195-L198 VanDerWaalsContact O-N 3.16Å; L198-L202 HydrophobicContact CB-CB 4.23Å; L198-L202 WeakPolarHBondContact CB-O 3.37Å; L198-L202 HydrophobicContact CD2-CB 4.49Å; L198-L202 HydrophobicContact CD2-CD1 4.47Å; L198-W251 HydrophobicContact CD1-CH2 3.66Å; L198-W251 HydrophobicContact CD1-CZ2 3.68Å; L198-W251 HydrophobicContact CD1-CZ3 4.4Å; L198-Q292 HydrophobicContact CD2-CB 3.76Å; L198-V293 HydrophobicContact CD1-CG2 4.04Å; L198-V293 HydrophobicContact CD2-CG2 4.22Å; L198-L296 HydrophobicContact CD2-CD1 3.8Å; L198-L296 HydrophobicContact CG-CD1 4.18Å
199	K	97.9	Very high	97.7	Very high	163 Å²	163	46.5 Å²	46.5	71%	0.709	26%	0.264	S	S	*	.			trans	-127.1	171.4	-174.3	-59.5	-177.3	-175.3	175.9	0	111.3	L202 A203	K199-L202 PolarHBondContact O-N 3.04Å; K199-A203 PolarHBondContact O-N 3.42Å
200	G	97.8	Very high	97.3	Very high	62 Å²	62	43.4 Å²	43.4	64%	0.639	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	65.4	-136.1	175.8	0	0	0	0	0	112.5	L202 A203	G200-L202 PolarHBondContact O-N 3Å; G200-A203 WeakPolarHBondContact O-CB 3.44Å; G200-A203 PolarHBondContact O-N 3.13Å; G200-A203 VanDerWaalsContact O-N 3.09Å
201	D	97.3	Very high	97	Very high	84 Å²	84	49.9 Å²	49.9	45%	0.449	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-66	-16.7	177.1	64.6	-51.7	0	0	0	113.2	N253	D201-N253 WeakPolarHBondContact O-CB 3.12Å; D201-N253 PolarHBondContact O-ND2 3.43Å
202	L	98.3	Very high	96.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-93.6	-2.2	174.3	-59.4	178.5	0	0	0	113.3	L198 K199 G200 W251 F258 R285	L198-L202 HydrophobicContact CB-CB 4.23Å; L198-L202 WeakPolarHBondContact CB-O 3.37Å; L198-L202 HydrophobicContact CD2-CB 4.49Å; L198-L202 HydrophobicContact CD2-CD1 4.47Å; K199-L202 PolarHBondContact O-N 3.04Å; G200-L202 PolarHBondContact O-N 3Å; L202-W251 WeakPolarHBondContact O-CH2 3.28Å; L202-W251 WeakPolarHBondContact O-CZ2 3.32Å; L202-F258 HydrophobicContact CD2-CB 4.2Å; L202-F258 HydrophobicContact CD2-CD1 3.79Å; L202-F258 HydrophobicContact CD2-CE1 4.36Å; L202-F258 HydrophobicContact CD2-CG 4.01Å; L202-R285 HydrophobicContact CD2-CG 4.18Å
203	A	98.6	Very high	96.2	Very high	26 Å²	26	52.8 Å²	52.8	22%	0.215	32%	0.319	C	S	.	.			trans	-65.9	139.4	174.6	0	0	0	0	0	110.6	K199 G200 N253 N254	K199-A203 PolarHBondContact O-N 3.42Å; G200-A203 WeakPolarHBondContact O-CB 3.44Å; G200-A203 PolarHBondContact O-N 3.13Å; G200-A203 VanDerWaalsContact O-N 3.09Å; A203-N253 CarbonylContact O-C 3.51Å; A203-N253 VanDerWaalsContact O-CA 3.25Å; A203-N253 WeakPolarHBondContact O-CA 3.24Å; A203-N253 WeakPolarHBondContact O-CB 3.43Å; A203-N254 PolarHBondContact O-N 2.94Å; A203-N254 PolarHBondContact O-ND2 2.64Å
204	G	97.6	Very high	95.6	Very high	30 Å²	30	58.9 Å²	58.9	31%	0.309	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	-173.4	-171.6	0	0	0	0	0	114.5	H252	G204-H252 CarbonylContact C-O 3.57Å; G204-H252 WeakPolarHBondContact CA-O 3.12Å
205	R	97	Very high	95.2	Very high	144 Å²	144	67.1 Å²	67.1	54%	0.543	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.7	-177.4	179.2	170.5	172.1	-168.8	-7.9	111.1	Y207 E216 W251 H252	R205-Y207 HydrophobicContact CB-CE2 3.89Å; R205-Y207 HydrophobicContact CG-CD2 4.39Å; R205-Y207 HydrophobicContact CG-CE1 4.38Å; R205-Y207 HydrophobicContact CG-CE2 3.84Å; R205-Y207 WeakPolarHBondContact O-CE2 3.09Å; R205-E216 IonicContact NH2-OE1 3.76Å; R205-W251 WeakPolarHBondContact O-CA 3.44Å; R205-H252 PolarHBondContact N-O 2.98Å; R205-H252 PolarHBondContact O-N 3.44Å
206	Y	97.5	Very high	94.7	Very high	43 Å²	43	69.5 Å²	69.5	17%	0.169	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	142.2	170.6	-179.3	-112.5	0	0	0	111	E188 V192 G249 I250 W251 V262	E188-Y206 HydrophobicContact CG-CE1 4.37Å; E188-Y206 WeakPolarHBondContact OE1-CE1 3.37Å; E188-Y206 PolarHBondContact OE1-OH 2.87Å; V192-Y206 HydrophobicContact CG1-CD1 4.05Å; V192-Y206 HydrophobicContact CG1-CG 4.17Å; V192-Y206 HydrophobicContact CG2-CD1 3.62Å; V192-Y206 HydrophobicContact CG2-CD2 3.75Å; V192-Y206 HydrophobicContact CG2-CE1 3.65Å; V192-Y206 HydrophobicContact CG2-CE2 3.78Å; V192-Y206 HydrophobicContact CG2-CG 3.65Å; Y206-G249 VanDerWaalsContact OH-CA 3.29Å; Y206-G249 WeakPolarHBondContact OH-CA 3.45Å; Y206-G249 PolarHBondContact OH-N 3.31Å; Y206-I250 CarbonylContact C-O 3.49Å; Y206-W251 HydrophobicContact CD2-CB 4.05Å; Y206-V262 HydrophobicContact CE2-CB 4.26Å; Y206-V262 HydrophobicContact CE2-CG2 3.92Å
207	Y	95.9	Very high	94.1	Very high	44 Å²	44	69.5 Å²	69.5	17%	0.173	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	109.2	176.6	-56.8	-98.4	0	0	0	108.4	R205 G249 I250 H252	R205-Y207 HydrophobicContact CB-CE2 3.89Å; R205-Y207 HydrophobicContact CG-CD2 4.39Å; R205-Y207 HydrophobicContact CG-CE1 4.38Å; R205-Y207 HydrophobicContact CG-CE2 3.84Å; R205-Y207 WeakPolarHBondContact O-CE2 3.09Å; Y207-G249 CarbonylContact O-C 3.59Å; Y207-G249 WeakPolarHBondContact O-CA 3.42Å; Y207-I250 PolarHBondContact N-O 3.07Å; Y207-I250 PolarHBondContact O-N 3.35Å; Y207-H252 AromaticContact CE2-CD2 3.85Å; Y207-H252 AromaticContact CE2-NE2 3.36Å; Y207-H252 WeakPolarHBondContact CE2-NE2 3.27Å; Y207-H252 AromaticContact CZ-NE2 3.93Å
208	S	96.3	Very high	93.4	Very high	27 Å²	27	72.8 Å²	72.8	19%	0.189	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	131.4	170.6	164.5	0	0	0	0	109.2	G210 D211 M212	S208-G210 PolarHBondContact O-N 2.99Å; S208-G210 PolarHBondContact OG-N 2.83Å; S208-D211 WeakPolarHBondContact CB-OD2 3.43Å; S208-D211 PolarHBondContact O-N 2.98Å; S208-D211 PolarHBondContact OG-OD2 2.83Å; S208-M212 WeakPolarHBondContact O-CB 3.28Å; S208-M212 PolarHBondContact O-N 3.39Å
209	L	94	Very high	92.8	Very high	29 Å²	29	76.5 Å²	76.5	15%	0.152	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-27.9	175.5	-67.6	-167.3	0	0	0	112.3	D211 M212 L226 F227 W244 P245 R248	L209-D211 VanDerWaalsContact C-N 3.32Å; L209-M212 HydrophobicContact CD2-CE 3.69Å; L209-M212 HydrophobicContact CD2-SD 4.41Å; L209-L226 HydrophobicContact CD2-CD1 3.59Å; L209-F227 HydrophobicContact CD1-CD2 4.47Å; L209-F227 HydrophobicContact CD1-CE2 3.76Å; L209-F227 HydrophobicContact CD1-CZ 4.06Å; L209-W244 HydrophobicContact CD1-CH2 3.8Å; L209-W244 HydrophobicContact CD1-CZ2 3.47Å; L209-W244 VanDerWaalsContact CD1-CZ2 3.47Å; L209-P245 HydrophobicContact CB-CB 3.83Å; L209-R248 WeakPolarHBondContact CB-O 3.3Å; L209-R248 HydrophobicContact CD1-CB 3.81Å; L209-R248 HydrophobicContact CG-CB 4.17Å; L209-R248 PolarHBondContact N-O 2.89Å
210	G	90.6	Very high	92.2	Very high	51 Å²	51	69 Å²	69	53%	0.526	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-25.6	179.9	0	0	0	0	0	113.8	S208	S208-G210 PolarHBondContact O-N 2.99Å; S208-G210 PolarHBondContact OG-N 2.83Å
211	D	91.1	Very high	91.4	Very high	138 Å²	138	69 Å²	69	74%	0.738	36%	0.355	S	S	*	.	S	Bend	trans	-115.6	7.8	-174	-50.5	-60.8	0	0	0	112.6	S208 L209	S208-D211 WeakPolarHBondContact CB-OD2 3.43Å; S208-D211 PolarHBondContact O-N 2.98Å; S208-D211 PolarHBondContact OG-OD2 2.83Å; L209-D211 VanDerWaalsContact C-N 3.32Å
212	M	90.8	Very high	90.4	Very high	26 Å²	26	69.5 Å²	69.5	13%	0.128	36%	0.357	C	S	.	.			trans	-73.6	132.5	-176.9	-167.1	175.9	-73.6	0	0	110.8	S208 L209 E216 Q217 L220 L226 I250	S208-M212 WeakPolarHBondContact O-CB 3.28Å; S208-M212 PolarHBondContact O-N 3.39Å; L209-M212 HydrophobicContact CD2-CE 3.69Å; L209-M212 HydrophobicContact CD2-SD 4.41Å; M212-E216 HydrophobicContact CG-CB 3.68Å; M212-Q217 HydrophobicContact CG-CB 4.15Å; M212-Q217 WeakPolarHBondContact SD-CA 3.45Å; M212-Q217 HydrophobicContact SD-CB 3.76Å; M212-Q217 HydrophobicContact SD-CG 4.11Å; M212-L220 HydrophobicContact CE-CD1 3.39Å; M212-L220 HydrophobicContact SD-CD1 3.72Å; M212-L226 HydrophobicContact CE-CD1 4.17Å; M212-L226 HydrophobicContact SD-CD1 4.27Å; M212-I250 HydrophobicContact CE-CG2 4.02Å
213	T	90.4	Very high	89.5	Confident	74 Å²	74	71.5 Å²	71.5	45%	0.454	37%	0.368	S	S	.	.			trans	-72.5	153.2	172.3	62.3	0	0	0	0	111.1	K215 E216 Q217	T213-K215 PolarHBondContact O-N 3.02Å; T213-K215 VanDerWaalsContact O-N 3.14Å; T213-E216 PolarHBondContact N-OE2 2.96Å; T213-E216 PolarHBondContact O-N 2.98Å; T213-E216 WeakPolarHBondContact OG1-CB 3.47Å; T213-E216 VanDerWaalsContact OG1-CG 3.25Å; T213-E216 WeakPolarHBondContact OG1-CG 3.43Å; T213-E216 PolarHBondContact OG1-N 3.48Å; T213-E216 PolarHBondContact OG1-OE2 3.3Å; T213-Q217 WeakPolarHBondContact O-CB 3.21Å; T213-Q217 PolarHBondContact O-N 3.06Å
214	E	85.4	Confident	88.5	Confident	172 Å²	172	77.9 Å²	77.9	80%	0.804	39%	0.393	S	S	*	.	H	α-helix	trans	-54.3	-35.7	175.7	-67	-179.4	173.6	0	0	112.3	Q217 Q218	E214-Q217 PolarHBondContact O-N 2.95Å; E214-Q218 WeakPolarHBondContact O-CB 3.48Å; E214-Q218 PolarHBondContact O-N 3.37Å
215	K	89.5	Confident	87.9	Confident	173 Å²	173	77.2 Å²	77.2	75%	0.752	38%	0.382	S	S	*	.	H	α-helix	trans	-67.5	-44.7	177	-175	-178.5	177.5	-177.5	0	112.3	T213 Q217 Q219	T213-K215 PolarHBondContact O-N 3.02Å; T213-K215 VanDerWaalsContact O-N 3.14Å; K215-Q217 VanDerWaalsContact C-N 3.32Å; K215-Q219 WeakPolarHBondContact O-CB 3.24Å; K215-Q219 PolarHBondContact O-N 2.95Å
216	E	88.9	Confident	87.2	Confident	53 Å²	53	71.5 Å²	71.5	25%	0.248	36%	0.362	C	S	.	.	H	α-helix	trans	-64.7	-41.1	175.7	-74.5	165.9	140.8	0	0	110.8	R205 M212 T213 Q219 L220	R205-E216 IonicContact NH2-OE1 3.76Å; M212-E216 HydrophobicContact CG-CB 3.68Å; T213-E216 PolarHBondContact N-OE2 2.96Å; T213-E216 PolarHBondContact O-N 2.98Å; T213-E216 WeakPolarHBondContact OG1-CB 3.47Å; T213-E216 VanDerWaalsContact OG1-CG 3.25Å; T213-E216 WeakPolarHBondContact OG1-CG 3.43Å; T213-E216 PolarHBondContact OG1-N 3.48Å; T213-E216 PolarHBondContact OG1-OE2 3.3Å; E216-Q219 PolarHBondContact O-N 3.4Å; E216-L220 WeakPolarHBondContact O-CG 3.39Å; E216-L220 PolarHBondContact O-N 2.93Å
217	Q	85.1	Confident	86.5	Confident	82 Å²	82	70 Å²	70	38%	0.383	36%	0.356	S	S	.	.	H	α-helix	trans	-60.4	-51.9	176.5	-167.1	-177	-1.9	0	0	111.3	M212 T213 E214 K215 Q219 L220 I221 L226	M212-Q217 HydrophobicContact CG-CB 4.15Å; M212-Q217 WeakPolarHBondContact SD-CA 3.45Å; M212-Q217 HydrophobicContact SD-CB 3.76Å; M212-Q217 HydrophobicContact SD-CG 4.11Å; T213-Q217 WeakPolarHBondContact O-CB 3.21Å; T213-Q217 PolarHBondContact O-N 3.06Å; E214-Q217 PolarHBondContact O-N 2.95Å; K215-Q217 VanDerWaalsContact C-N 3.32Å; Q217-Q219 VanDerWaalsContact C-N 3.31Å; Q217-Q219 PolarHBondContact O-N 3.42Å; Q217-L220 PolarHBondContact O-N 3.48Å; Q217-I221 HydrophobicContact CG-CD1 4.17Å; Q217-I221 WeakPolarHBondContact O-CG1 3.42Å; Q217-I221 PolarHBondContact O-N 2.88Å; Q217-L226 HydrophobicContact CG-CD2 3.45Å; Q217-L226 VanDerWaalsContact CG-CD2 3.45Å
218	Q	82.6	Confident	85.6	Confident	98 Å²	98	73.1 Å²	73.1	46%	0.458	38%	0.376	S	S	.	.	H	α-helix	trans	-60.6	-41.8	178.6	-171.4	60.9	54.3	0	0	111.5	E214 L220 I221 D222	E214-Q218 WeakPolarHBondContact O-CB 3.48Å; E214-Q218 PolarHBondContact O-N 3.37Å; Q218-L220 VanDerWaalsContact C-N 3.33Å; Q218-L220 PolarHBondContact O-N 3.43Å; Q218-I221 WeakPolarHBondContact O-CB 3.37Å; Q218-I221 PolarHBondContact O-N 3.3Å; Q218-D222 PolarHBondContact NE2-OD1 3.13Å; Q218-D222 WeakPolarHBondContact O-CB 3.45Å; Q218-D222 PolarHBondContact O-N 3.34Å
219	Q	86.5	Confident	84.9	Confident	88 Å²	88	77.4 Å²	77.4	41%	0.411	39%	0.391	S	S	.	.	H	α-helix	trans	-59.9	-43.1	176.7	-177.1	62.6	67.8	0	0	112	K215 E216 Q217 I221 D222 D223	K215-Q219 WeakPolarHBondContact O-CB 3.24Å; K215-Q219 PolarHBondContact O-N 2.95Å; E216-Q219 PolarHBondContact O-N 3.4Å; Q217-Q219 VanDerWaalsContact C-N 3.31Å; Q217-Q219 PolarHBondContact O-N 3.42Å; Q219-I221 VanDerWaalsContact C-N 3.34Å; Q219-D222 PolarHBondContact O-N 2.94Å; Q219-D223 VanDerWaalsContact NE2-CG 3.35Å; Q219-D223 PolarHBondContact NE2-OD1 2.99Å; Q219-D223 VanDerWaalsContact NE2-OD1 3.16Å; Q219-D223 PolarHBondContact NE2-OD2 3.17Å; Q219-D223 WeakPolarHBondContact O-CB 3.46Å; Q219-D223 PolarHBondContact O-N 2.96Å
220	L	85.4	Confident	84.6	Confident	5 Å²	5	76.5 Å²	76.5	3%	0.026	39%	0.387	C	S	.	.	H	α-helix	trans	-70.8	-29	178.3	-69.5	166.8	0	0	0	112.8	M212 E216 Q217 Q218 H224 F225 L226 I250	M212-L220 HydrophobicContact CE-CD1 3.39Å; M212-L220 HydrophobicContact SD-CD1 3.72Å; E216-L220 WeakPolarHBondContact O-CG 3.39Å; E216-L220 PolarHBondContact O-N 2.93Å; Q217-L220 PolarHBondContact O-N 3.48Å; Q218-L220 VanDerWaalsContact C-N 3.33Å; Q218-L220 PolarHBondContact O-N 3.43Å; L220-H224 PolarHBondContact O-N 2.79Å; L220-F225 HydrophobicContact CD2-CB 4.12Å; L220-F225 HydrophobicContact CD2-CD2 4.17Å; L220-F225 PolarHBondContact O-N 3.05Å; L220-L226 HydrophobicContact CB-CB 3.86Å; L220-L226 HydrophobicContact CB-CD1 4.32Å; L220-L226 HydrophobicContact CD1-CD1 4.25Å; L220-L226 PolarHBondContact O-N 3.27Å; L220-I250 HydrophobicContact CD1-CG2 3.76Å; L220-I250 HydrophobicContact CD2-CD1 4.47Å
221	I	79.8	Confident	84.4	Confident	63 Å²	63	80.2 Å²	80.2	32%	0.323	40%	0.399	S	S	.	.	H	α-helix	trans	-66.8	-49.7	170.6	-69.6	167.2	0	0	0	110.1	Q217 Q218 Q219 D223 H224 L226	Q217-I221 HydrophobicContact CG-CD1 4.17Å; Q217-I221 WeakPolarHBondContact O-CG1 3.42Å; Q217-I221 PolarHBondContact O-N 2.88Å; Q218-I221 WeakPolarHBondContact O-CB 3.37Å; Q218-I221 PolarHBondContact O-N 3.3Å; Q219-I221 VanDerWaalsContact C-N 3.34Å; I221-D223 PolarHBondContact O-N 3.22Å; I221-H224 WeakPolarHBondContact O-CA 3.43Å; I221-H224 PolarHBondContact O-N 2.65Å; I221-L226 HydrophobicContact CD1-CD2 4.13Å; I221-L226 HydrophobicContact CG1-CB 4.11Å; I221-L226 HydrophobicContact CG1-CD2 3.7Å
222	D	76.9	Confident	84.4	Confident	93 Å²	93	74.4 Å²	74.4	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-62	-34.4	-178.9	-66.5	-15.3	0	0	0	111.7	Q218 Q219 H224	Q218-D222 PolarHBondContact NE2-OD1 3.13Å; Q218-D222 WeakPolarHBondContact O-CB 3.45Å; Q218-D222 PolarHBondContact O-N 3.34Å; Q219-D222 PolarHBondContact O-N 2.94Å; D222-H224 PolarHBondContact O-N 2.85Å
223	D	79.2	Confident	84.5	Confident	42 Å²	42	76.4 Å²	76.4	23%	0.225	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-3.6	175.3	-64.4	-38.4	0	0	0	113.7	Q219 I221 F225 K256	Q219-D223 VanDerWaalsContact NE2-CG 3.35Å; Q219-D223 PolarHBondContact NE2-OD1 2.99Å; Q219-D223 VanDerWaalsContact NE2-OD1 3.16Å; Q219-D223 PolarHBondContact NE2-OD2 3.17Å; Q219-D223 WeakPolarHBondContact O-CB 3.46Å; Q219-D223 PolarHBondContact O-N 2.96Å; I221-D223 PolarHBondContact O-N 3.22Å; D223-F225 VanDerWaalsContact C-N 3.31Å; D223-F225 HydrophobicContact CB-CD1 4.35Å; D223-F225 HydrophobicContact CB-CD2 3.39Å; D223-F225 HydrophobicContact CB-CE1 4.36Å; D223-F225 HydrophobicContact CB-CE2 3.38Å; D223-F225 HydrophobicContact CB-CG 3.88Å; D223-F225 HydrophobicContact CB-CZ 3.89Å; D223-F225 WeakPolarHBondContact O-CD1 3.31Å; D223-F225 WeakPolarHBondContact O-CE1 3.44Å; D223-F225 PolarHBondContact O-N 3.06Å; D223-K256 IonicContact OD1-NZ 2.79Å; D223-K256 IonicContact OD2-NZ 2.63Å; D223-K256 PolarHBondContact OD2-NZ 3.16Å
224	H	77.7	Confident	84.7	Confident	161 Å²	161	74.7 Å²	74.7	75%	0.745	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	34.4	-174.2	-54.3	-62.7	0	0	0	114.4	L220 I221 D222	L220-H224 PolarHBondContact O-N 2.79Å; I221-H224 WeakPolarHBondContact O-CA 3.43Å; I221-H224 PolarHBondContact O-N 2.65Å; D222-H224 PolarHBondContact O-N 2.85Å
225	F	84.5	Confident	85.1	Confident	16 Å²	16	67.8 Å²	67.8	7%	0.07	34%	0.341	C	S	.	.			trans	-104.3	-30.7	-178.8	-61.5	-24	0	0	0	113.8	L220 D223 I250 K256 L259 W261 M273	L220-F225 HydrophobicContact CD2-CB 4.12Å; L220-F225 HydrophobicContact CD2-CD2 4.17Å; L220-F225 PolarHBondContact O-N 3.05Å; D223-F225 VanDerWaalsContact C-N 3.31Å; D223-F225 HydrophobicContact CB-CD1 4.35Å; D223-F225 HydrophobicContact CB-CD2 3.39Å; D223-F225 HydrophobicContact CB-CE1 4.36Å; D223-F225 HydrophobicContact CB-CE2 3.38Å; D223-F225 HydrophobicContact CB-CG 3.88Å; D223-F225 HydrophobicContact CB-CZ 3.89Å; D223-F225 WeakPolarHBondContact O-CD1 3.31Å; D223-F225 WeakPolarHBondContact O-CE1 3.44Å; D223-F225 PolarHBondContact O-N 3.06Å; F225-I250 HydrophobicContact CB-CD1 3.79Å; F225-I250 WeakPolarHBondContact O-CD1 3.34Å; F225-K256 HydrophobicContact CE2-CB 3.5Å; F225-K256 VanDerWaalsContact CE2-CB 3.5Å; F225-K256 HydrophobicContact CE2-CD 3.74Å; F225-K256 HydrophobicContact CE2-CG 3.64Å; F225-K256 HydrophobicContact CZ-CB 3.64Å; F225-K256 HydrophobicContact CZ-CD 4.48Å; F225-K256 HydrophobicContact CZ-CG 4.31Å; F225-L259 HydrophobicContact CB-CD2 3.66Å; F225-L259 HydrophobicContact CD1-CD2 3.37Å; F225-L259 HydrophobicContact CD2-CD2 3.77Å; F225-L259 HydrophobicContact CE1-CD1 4.41Å; F225-L259 HydrophobicContact CE1-CD2 3.9Å; F225-L259 HydrophobicContact CE2-CD2 4.25Å; F225-L259 HydrophobicContact CG-CD2 3.31Å; F225-L259 HydrophobicContact CZ-CD2 4.33Å; F225-W261 WeakPolarHBondContact O-CZ2 3.38Å; F225-W261 PolarHBondContact O-NE1 2.96Å; F225-M273 HydrophobicContact CD1-SD 4.37Å; F225-M273 HydrophobicContact CE1-CE 4.13Å; F225-M273 HydrophobicContact CE1-SD 4.07Å
226	L	82.4	Confident	85.5	Confident	24 Å²	24	62.4 Å²	62.4	13%	0.126	32%	0.322	C	S	.	.			trans	-71.2	142	-178.6	-161.6	63.7	0	0	0	110.9	L209 M212 Q217 L220 I221 I250	L209-L226 HydrophobicContact CD2-CD1 3.59Å; M212-L226 HydrophobicContact CE-CD1 4.17Å; M212-L226 HydrophobicContact SD-CD1 4.27Å; Q217-L226 HydrophobicContact CG-CD2 3.45Å; Q217-L226 VanDerWaalsContact CG-CD2 3.45Å; L220-L226 HydrophobicContact CB-CB 3.86Å; L220-L226 HydrophobicContact CB-CD1 4.32Å; L220-L226 HydrophobicContact CD1-CD1 4.25Å; L220-L226 PolarHBondContact O-N 3.27Å; I221-L226 HydrophobicContact CD1-CD2 4.13Å; I221-L226 HydrophobicContact CG1-CB 4.11Å; I221-L226 HydrophobicContact CG1-CD2 3.7Å; L226-I250 HydrophobicContact CD1-CG2 4.44Å
227	F	83.3	Confident	85.9	Confident	10 Å²	10	61.4 Å²	61.4	4%	0.044	32%	0.321	C	S	.	.			trans	-105.1	138.4	165.4	56.9	-89.2	0	0	0	108.7	L209 W244 R248 G249 I250 W261 E264	L209-F227 HydrophobicContact CD1-CD2 4.47Å; L209-F227 HydrophobicContact CD1-CE2 3.76Å; L209-F227 HydrophobicContact CD1-CZ 4.06Å; F227-W244 AromaticContact CD2-CH2 3.63Å; F227-W244 HydrophobicContact CD2-CH2 3.63Å; F227-W244 HydrophobicContact CD2-CZ2 4.48Å; F227-W244 HydrophobicContact CD2-CZ3 4.48Å; F227-W244 AromaticContact CE2-CH2 3.51Å; F227-W244 HydrophobicContact CE2-CH2 3.51Å; F227-W244 HydrophobicContact CE2-CZ2 4.42Å; F227-W244 HydrophobicContact CE2-CZ3 4.17Å; F227-R248 HydrophobicContact CE2-CB 4.45Å; F227-G249 WeakPolarHBondContact CE1-O 3.36Å; F227-G249 WeakPolarHBondContact CZ-O 3.4Å; F227-I250 HydrophobicContact CE1-CB 4.41Å; F227-W261 HydrophobicContact CB-CD2 4.23Å; F227-W261 HydrophobicContact CB-CE3 4.04Å; F227-W261 HydrophobicContact CB-CH2 3.95Å; F227-W261 HydrophobicContact CB-CZ2 4.14Å; F227-W261 HydrophobicContact CB-CZ3 3.9Å; F227-W261 HydrophobicContact CD1-CB 3.82Å; F227-W261 AromaticContact CD1-CD1 3.55Å; F227-W261 AromaticContact CD1-CD2 3.39Å; F227-W261 HydrophobicContact CD1-CD2 3.39Å; F227-W261 AromaticContact CD1-CE2 3.66Å; F227-W261 AromaticContact CD1-CE3 3.9Å; F227-W261 HydrophobicContact CD1-CE3 3.9Å; F227-W261 AromaticContact CD1-CG 3.34Å; F227-W261 HydrophobicContact CD1-CG 3.34Å; F227-W261 HydrophobicContact CD1-CZ2 4.36Å; F227-W261 AromaticContact CD1-NE1 3.72Å; F227-W261 HydrophobicContact CE1-CB 3.48Å; F227-W261 VanDerWaalsContact CE1-CB 3.48Å; F227-W261 AromaticContact CE1-CD1 3.7Å; F227-W261 HydrophobicContact CE1-CD2 4.05Å; F227-W261 AromaticContact CE1-CG 3.48Å; F227-W261 HydrophobicContact CE1-CG 3.48Å; F227-W261 VanDerWaalsContact CE1-CG 3.48Å; F227-W261 HydrophobicContact CG-CD2 4.09Å; F227-W261 HydrophobicContact CG-CE3 4.15Å; F227-W261 HydrophobicContact CG-CG 4.4Å; F227-W261 HydrophobicContact CZ-CB 4.26Å; F227-E264 HydrophobicContact CB-CG 4.17Å; F227-E264 HydrophobicContact CD1-CG 4.46Å; F227-E264 HydrophobicContact CD2-CB 3.87Å; F227-E264 HydrophobicContact CD2-CG 3.23Å; F227-E264 HydrophobicContact CE2-CB 3.68Å; F227-E264 HydrophobicContact CE2-CG 3.58Å; F227-E264 HydrophobicContact CG-CB 4.39Å; F227-E264 HydrophobicContact CG-CG 3.72Å; F227-E264 HydrophobicContact CZ-CB 4.06Å; F227-E264 HydrophobicContact CZ-CG 4.34Å
228	D	77.3	Confident	86.5	Confident	110 Å²	110	57.5 Å²	57.5	59%	0.588	30%	0.302	S	S	*	.			trans	-88.8	171	-179.4	-70.6	-40.5	0	0	0	111.9	P230	D228-P230 WeakPolarHBondContact O-CD 3.35Å
229	K	82.1	Confident	87.2	Confident	117 Å²	117	56.3 Å²	56.3	51%	0.509	30%	0.296	S	S	.	.			trans	-52.4	127.3	170.4	-175.8	174.3	-179.6	177.8	0	109.2	V231 W244	K229-V231 PolarHBondContact O-N 3.19Å; K229-W244 VanDerWaalsContact CA-CZ2 3.5Å; K229-W244 HydrophobicContact CB-CD2 4.14Å; K229-W244 HydrophobicContact CB-CG 4.26Å; K229-W244 HydrophobicContact CB-CZ2 4.17Å; K229-W244 HydrophobicContact CD-CB 4.39Å; K229-W244 HydrophobicContact CD-CG 4.04Å; K229-W244 HydrophobicContact CG-CB 4.39Å; K229-W244 HydrophobicContact CG-CD2 3.98Å; K229-W244 HydrophobicContact CG-CG 3.8Å
230	P	86.1	Confident	87.8	Confident	11 Å²	11	52.5 Å²	52.5	7%	0.071	28%	0.278	C	S	.	.			trans	-56.5	114.2	177.3	-28.8	35.6	0	0	0	111.5	D228 L235 T236 A241 W244	D228-P230 WeakPolarHBondContact O-CD 3.35Å; P230-L235 HydrophobicContact CB-CB 3.94Å; P230-L235 HydrophobicContact CB-CD1 3.8Å; P230-L235 HydrophobicContact CG-CD1 4.38Å; P230-T236 VanDerWaalsContact O-CG2 3.3Å; P230-T236 WeakPolarHBondContact O-CG2 3.33Å; P230-A241 HydrophobicContact CB-CB 4.33Å; P230-W244 VanDerWaalsContact CD-CZ3 3.46Å; P230-W244 HydrophobicContact CG-CZ3 4.22Å
231	V	88.4	Confident	88.3	Confident	129 Å²	129	53.2 Å²	53.2	78%	0.782	28%	0.284	S	S	*	.			trans	-103.9	-16.5	174.6	-65.3	0	0	0	0	112.7	K229	K229-V231 PolarHBondContact O-N 3.19Å
232	S	90.3	Very high	89.2	Confident	15 Å²	15	53.8 Å²	53.8	11%	0.105	28%	0.283	C	S	.	.			trans	-61	129.5	178.3	-178.7	0	0	0	0	110.2	L234 L235 T236	S232-L234 PolarHBondContact O-N 3.45Å; S232-L234 VanDerWaalsContact O-N 3.16Å; S232-L235 PolarHBondContact O-N 2.97Å; S232-T236 PolarHBondContact O-N 3.21Å; S232-T236 PolarHBondContact O-OG1 3.16Å
233	P	93.2	Very high	90.2	Very high	68 Å²	68	51.9 Å²	51.9	44%	0.442	27%	0.273	S	S	.	.	H	α-helix	trans	-63.6	-22	178.9	29.1	-36.4	0	0	0	112.2	N96 L235 T236 C237	N96-P233 PolarHBondContact ND2-O 3.41Å; N96-P233 VanDerWaalsContact OD1-CB 3.31Å; N96-P233 WeakPolarHBondContact OD1-CB 3.46Å; N96-P233 WeakPolarHBondContact OD1-CG 3.35Å; P233-L235 VanDerWaalsContact C-N 3.27Å; P233-L235 PolarHBondContact O-N 2.86Å; P233-T236 WeakPolarHBondContact CA-OG1 3.28Å; P233-C237 WeakPolarHBondContact O-CB 3.44Å; P233-C237 PolarHBondContact O-N 3.37Å; P233-C237 PolarHBondContact O-SG 3.02Å; P233-C237 VanDerWaalsContact O-SG 3.39Å
234	L	93.3	Very high	91	Very high	39 Å²	39	52.6 Å²	52.6	20%	0.204	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-34.6	173.1	-62.5	175.4	0	0	0	112.3	T92 N96 T104 S232 A238	T92-L234 PolarHBondContact OG1-O 2.99Å; N96-L234 HydrophobicContact CB-CD2 3.77Å; T104-L234 HydrophobicContact CG2-CD1 3.84Å; T104-L234 HydrophobicContact CG2-CD2 4.14Å; S232-L234 PolarHBondContact O-N 3.45Å; S232-L234 VanDerWaalsContact O-N 3.16Å; L234-A238 VanDerWaalsContact O-CB 3.25Å; L234-A238 WeakPolarHBondContact O-CB 3.3Å
235	L	94.9	Very high	91.8	Very high	27 Å²	27	47.1 Å²	47.1	14%	0.141	25%	0.251	C	S	.	.	H	α-helix	trans	-89.5	-40.9	-179	-60.8	179.6	0	0	0	111.7	P230 S232 P233 A238 F239 M240 E265	P230-L235 HydrophobicContact CB-CB 3.94Å; P230-L235 HydrophobicContact CB-CD1 3.8Å; P230-L235 HydrophobicContact CG-CD1 4.38Å; S232-L235 PolarHBondContact O-N 2.97Å; P233-L235 VanDerWaalsContact C-N 3.27Å; P233-L235 PolarHBondContact O-N 2.86Å; L235-A238 CarbonylContact O-C 3.57Å; L235-A238 PolarHBondContact O-N 2.96Å; L235-F239 PolarHBondContact O-N 3.14Å; L235-M240 HydrophobicContact CD2-CE 3.73Å; L235-M240 HydrophobicContact CD2-SD 3.71Å; L235-M240 WeakPolarHBondContact O-CB 2.91Å; L235-M240 PolarHBondContact O-N 3.11Å; L235-E265 HydrophobicContact CD1-CG 3.89Å; L235-E265 HydrophobicContact CD2-CG 3.79Å
236	T	96.9	Very high	92.5	Very high	60 Å²	60	48.4 Å²	48.4	37%	0.368	26%	0.259	S	S	.	.	H	α-helix	trans	-71	-42	-178.7	58.3	0	0	0	0	111.9	P230 S232 P233 A238 F239 A241	P230-T236 VanDerWaalsContact O-CG2 3.3Å; P230-T236 WeakPolarHBondContact O-CG2 3.33Å; S232-T236 PolarHBondContact O-N 3.21Å; S232-T236 PolarHBondContact O-OG1 3.16Å; P233-T236 WeakPolarHBondContact CA-OG1 3.28Å; T236-A238 PolarHBondContact O-N 3.42Å; T236-F239 PolarHBondContact O-N 2.81Å; T236-A241 HydrophobicContact CG2-CB 4.04Å
237	C	97.6	Very high	93.2	Very high	32 Å²	32	47.7 Å²	47.7	22%	0.216	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.3	171.8	-64.9	0	0	0	0	113.2	D95 P233 F239	D95-C237 HydrophobicContact CB-CB 4.02Å; P233-C237 WeakPolarHBondContact O-CB 3.44Å; P233-C237 PolarHBondContact O-N 3.37Å; P233-C237 PolarHBondContact O-SG 3.02Å; P233-C237 VanDerWaalsContact O-SG 3.39Å; C237-F239 VanDerWaalsContact C-N 3.29Å
238	A	98.1	Very high	94	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	10.1	169.7	0	0	0	0	0	112.9	T92 V108 P177 L234 L235 T236 M240	T92-A238 HydrophobicContact CG2-CB 4.24Å; V108-A238 HydrophobicContact CG1-CB 4.12Å; V108-A238 HydrophobicContact CG2-CB 4.15Å; P177-A238 WeakPolarHBondContact CA-O 3.46Å; P177-A238 VanDerWaalsContact CB-O 3.29Å; P177-A238 WeakPolarHBondContact CB-O 3.46Å; L234-A238 VanDerWaalsContact O-CB 3.25Å; L234-A238 WeakPolarHBondContact O-CB 3.3Å; L235-A238 CarbonylContact O-C 3.57Å; L235-A238 PolarHBondContact O-N 2.96Å; T236-A238 PolarHBondContact O-N 3.42Å; A238-M240 HydrophobicContact CB-CG 3.98Å; A238-M240 HydrophobicContact CB-SD 3.72Å; A238-M240 WeakPolarHBondContact O-CG 3.34Å; A238-M240 PolarHBondContact O-N 3.06Å
239	F	97.9	Very high	94.9	Very high	73 Å²	73	42 Å²	42	32%	0.32	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	18.6	178.3	-41.7	-77.1	0	0	0	115.3	W84 Q91 L235 T236 C237 R242	W84-F239 AromaticContact CH2-CD2 3.98Å; W84-F239 HydrophobicContact CH2-CD2 3.98Å; W84-F239 HydrophobicContact CH2-CE2 4.39Å; Q91-F239 HydrophobicContact CB-CE2 4.19Å; Q91-F239 HydrophobicContact CB-CZ 4.29Å; Q91-F239 HydrophobicContact CG-CE2 4.35Å; Q91-F239 HydrophobicContact CG-CZ 3.97Å; L235-F239 PolarHBondContact O-N 3.14Å; T236-F239 PolarHBondContact O-N 2.81Å; C237-F239 VanDerWaalsContact C-N 3.29Å; F239-R242 WeakPolarHBondContact O-CG 3.45Å; F239-R242 PolarHBondContact O-NE 3.21Å
240	M	98.1	Very high	95.6	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.039	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-13.7	-172.2	-61.2	168.3	63.9	0	0	113.3	P176 P177 L235 A238 E265 T315	P176-M240 HydrophobicContact CB-CG 4.38Å; P177-M240 HydrophobicContact CG-CG 3.93Å; P177-M240 HydrophobicContact CG-SD 4.33Å; L235-M240 HydrophobicContact CD2-CE 3.73Å; L235-M240 HydrophobicContact CD2-SD 3.71Å; L235-M240 WeakPolarHBondContact O-CB 2.91Å; L235-M240 PolarHBondContact O-N 3.11Å; A238-M240 HydrophobicContact CB-CG 3.98Å; A238-M240 HydrophobicContact CB-SD 3.72Å; A238-M240 WeakPolarHBondContact O-CG 3.34Å; A238-M240 PolarHBondContact O-N 3.06Å; M240-E265 HydrophobicContact CE-CB 3.88Å; M240-E265 HydrophobicContact CE-CG 4.09Å; M240-E265 WeakPolarHBondContact CE-O 3.49Å; M240-T315 HydrophobicContact CE-CG2 4.23Å; M240-T315 HydrophobicContact SD-CG2 4.29Å
241	A	97.4	Very high	96.2	Very high	19 Å²	19	36.1 Å²	36.1	16%	0.157	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	6.1	-179.9	0	0	0	0	0	114.6	P230 T236	P230-A241 HydrophobicContact CB-CB 4.33Å; T236-A241 HydrophobicContact CG2-CB 4.04Å
242	R	97.8	Very high	96.7	Very high	75 Å²	75	30.6 Å²	30.6	28%	0.283	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	142.3	-177.1	-70.2	178.8	-62.2	106.7	-3.8	112.2	P176 P177 C179 F239 W244 R248	P176-R242 PolarHBondContact O-NH2 2.9Å; P176-R242 VanDerWaalsContact O-NH2 3.08Å; P177-R242 PolarHBondContact O-NH2 3.35Å; C179-R242 PolarHBondContact O-NH1 3.41Å; C179-R242 PolarHBondContact O-NH2 3.3Å; F239-R242 WeakPolarHBondContact O-CG 3.45Å; F239-R242 PolarHBondContact O-NE 3.21Å; R242-W244 PolarHBondContact O-N 3.42Å; R242-W244 VanDerWaalsContact O-N 3.16Å; R242-R248 PolarHBondContact O-NH1 2.87Å; R242-R248 PolarHBondContact O-NH2 3.18Å
243	D	97.8	Very high	97	Very high	54 Å²	54	29.9 Å²	29.9	29%	0.289	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	20.8	176.7	-39.1	-81.9	0	0	0	115	R181 R184 D246	R181-D243 WeakPolarHBondContact CD-OD1 3.44Å; R181-D243 HydrophobicContact CG-CB 4.11Å; R181-D243 IonicContact CZ-OD1 3.72Å; R181-D243 IonicContact NH1-OD1 3.83Å; R181-D243 PolarHBondContact NH1-OD1 2.95Å; R184-D243 IonicContact CZ-OD2 2.65Å; R184-D243 IonicContact NH1-OD2 2.75Å; R184-D243 PolarHBondContact NH1-OD2 3.23Å; R184-D243 IonicContact NH2-OD2 3.82Å; D243-D246 HydrophobicContact CB-CB 4.18Å; D243-D246 WeakPolarHBondContact O-CB 3.39Å; D243-D246 PolarHBondContact O-N 2.86Å
244	W	95.7	Very high	97.2	Very high	56 Å²	56	32.4 Å²	32.4	21%	0.212	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	135.3	-178.6	-173.8	-84.1	0	0	0	112.8	L209 F227 K229 P230 R242 R248	L209-W244 HydrophobicContact CD1-CH2 3.8Å; L209-W244 HydrophobicContact CD1-CZ2 3.47Å; L209-W244 VanDerWaalsContact CD1-CZ2 3.47Å; F227-W244 AromaticContact CD2-CH2 3.63Å; F227-W244 HydrophobicContact CD2-CH2 3.63Å; F227-W244 HydrophobicContact CD2-CZ2 4.48Å; F227-W244 HydrophobicContact CD2-CZ3 4.48Å; F227-W244 AromaticContact CE2-CH2 3.51Å; F227-W244 HydrophobicContact CE2-CH2 3.51Å; F227-W244 HydrophobicContact CE2-CZ2 4.42Å; F227-W244 HydrophobicContact CE2-CZ3 4.17Å; K229-W244 VanDerWaalsContact CA-CZ2 3.5Å; K229-W244 HydrophobicContact CB-CD2 4.14Å; K229-W244 HydrophobicContact CB-CG 4.26Å; K229-W244 HydrophobicContact CB-CZ2 4.17Å; K229-W244 HydrophobicContact CD-CB 4.39Å; K229-W244 HydrophobicContact CD-CG 4.04Å; K229-W244 HydrophobicContact CG-CB 4.39Å; K229-W244 HydrophobicContact CG-CD2 3.98Å; K229-W244 HydrophobicContact CG-CG 3.8Å; P230-W244 VanDerWaalsContact CD-CZ3 3.46Å; P230-W244 HydrophobicContact CG-CZ3 4.22Å; R242-W244 PolarHBondContact O-N 3.42Å; R242-W244 VanDerWaalsContact O-N 3.16Å; W244-R248 HydrophobicContact CE3-CG 4.24Å; W244-R248 HydrophobicContact CH2-CG 4.49Å; W244-R248 HydrophobicContact CZ3-CG 3.9Å
245	P	95.9	Very high	97.4	Very high	47 Å²	47	37 Å²	37	31%	0.305	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	cis	-97.3	20.4	3.6	38.3	-35.8	0	0	0	115.3	L209 A247 R248	L209-P245 HydrophobicContact CB-CB 3.83Å; P245-A247 PolarHBondContact O-N 2.75Å; P245-R248 PolarHBondContact O-N 3.41Å; P245-R248 VanDerWaalsContact O-N 3.11Å
246	D	97.9	Very high	97.4	Very high	43 Å²	43	39 Å²	39	23%	0.23	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	125.8	-174.1	-176.5	-100.8	0	0	0	112.7	R184 R185 D243 R248	R184-D246 WeakPolarHBondContact CD-O 3.49Å; R185-D246 IonicContact CZ-OD1 3.4Å; R185-D246 IonicContact CZ-OD2 3.8Å; R185-D246 IonicContact NE-OD1 3.24Å; R185-D246 PolarHBondContact NE-OD1 3.14Å; R185-D246 VanDerWaalsContact NE-OD1 3.12Å; R185-D246 IonicContact NE-OD2 2.94Å; R185-D246 PolarHBondContact NE-OD2 3.48Å; R185-D246 IonicContact NH2-OD1 3.12Å; R185-D246 IonicContact NH2-OD2 2.71Å; R185-D246 PolarHBondContact NH2-OD2 3.34Å; D243-D246 HydrophobicContact CB-CB 4.18Å; D243-D246 WeakPolarHBondContact O-CB 3.39Å; D243-D246 PolarHBondContact O-N 2.86Å; D246-R248 VanDerWaalsContact C-N 3.26Å; D246-R248 WeakPolarHBondContact O-CD 3.43Å; D246-R248 PolarHBondContact O-N 3.43Å; D246-R248 PolarHBondContact O-NH1 2.98Å
247	A	98.2	Very high	97.4	Very high	8 Å²	8	37.1 Å²	37.1	7%	0.066	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	29.2	179.4	0	0	0	0	0	115.4	R184 R185 E188 P245 N263	R184-A247 HydrophobicContact CG-CB 3.97Å; R185-A247 HydrophobicContact CB-CB 4.37Å; R185-A247 HydrophobicContact CG-CB 3.7Å; E188-A247 HydrophobicContact CB-CB 4.16Å; E188-A247 VanDerWaalsContact OE2-CA 3.32Å; E188-A247 WeakPolarHBondContact OE2-CA 3.44Å; E188-A247 WeakPolarHBondContact OE2-CB 3.38Å; P245-A247 PolarHBondContact O-N 2.75Å; A247-N263 VanDerWaalsContact O-CB 3.3Å; A247-N263 WeakPolarHBondContact O-CB 3.41Å; A247-N263 PolarHBondContact O-ND2 2.81Å
248	R	98.3	Very high	97.5	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.008	18%	0.176	C	C	.	.			trans	-108.6	147	171.2	-80.2	65.5	168.3	-143.1	-6.5	109.8	R184 L209 F227 R242 W244 P245 D246 V262 N263	R184-R248 VanDerWaalsContact CD-NH1 3.3Å; R184-R248 VanDerWaalsContact NE-CZ 3.27Å; R184-R248 VanDerWaalsContact NE-NH2 3.2Å; L209-R248 WeakPolarHBondContact CB-O 3.3Å; L209-R248 HydrophobicContact CD1-CB 3.81Å; L209-R248 HydrophobicContact CG-CB 4.17Å; L209-R248 PolarHBondContact N-O 2.89Å; F227-R248 HydrophobicContact CE2-CB 4.45Å; R242-R248 PolarHBondContact O-NH1 2.87Å; R242-R248 PolarHBondContact O-NH2 3.18Å; W244-R248 HydrophobicContact CE3-CG 4.24Å; W244-R248 HydrophobicContact CH2-CG 4.49Å; W244-R248 HydrophobicContact CZ3-CG 3.9Å; P245-R248 PolarHBondContact O-N 3.41Å; P245-R248 VanDerWaalsContact O-N 3.11Å; D246-R248 VanDerWaalsContact C-N 3.26Å; D246-R248 WeakPolarHBondContact O-CD 3.43Å; D246-R248 PolarHBondContact O-N 3.43Å; D246-R248 PolarHBondContact O-NH1 2.98Å; R248-V262 WeakPolarHBondContact CA-O 3.26Å; R248-N263 WeakPolarHBondContact CD-O 3.5Å; R248-N263 HydrophobicContact CG-CB 3.96Å; R248-N263 WeakPolarHBondContact CG-O 3.11Å; R248-N263 PolarHBondContact NE-O 3.05Å
249	G	97.1	Very high	97.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	177.9	177	0	0	0	0	0	113.2	Y206 Y207 F227 V262	Y206-G249 VanDerWaalsContact OH-CA 3.29Å; Y206-G249 WeakPolarHBondContact OH-CA 3.45Å; Y206-G249 PolarHBondContact OH-N 3.31Å; Y207-G249 CarbonylContact O-C 3.59Å; Y207-G249 WeakPolarHBondContact O-CA 3.42Å; F227-G249 WeakPolarHBondContact CE1-O 3.36Å; F227-G249 WeakPolarHBondContact CZ-O 3.4Å; G249-V262 PolarHBondContact N-O 2.72Å; G249-V262 PolarHBondContact O-N 3.46Å
250	I	97.6	Very high	97.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.9	178.8	-179.7	164.8	0	0	0	109.2	Y206 Y207 M212 L220 F225 L226 F227 L259	Y206-I250 CarbonylContact C-O 3.49Å; Y207-I250 PolarHBondContact N-O 3.07Å; Y207-I250 PolarHBondContact O-N 3.35Å; M212-I250 HydrophobicContact CE-CG2 4.02Å; L220-I250 HydrophobicContact CD1-CG2 3.76Å; L220-I250 HydrophobicContact CD2-CD1 4.47Å; F225-I250 HydrophobicContact CB-CD1 3.79Å; F225-I250 WeakPolarHBondContact O-CD1 3.34Å; L226-I250 HydrophobicContact CD1-CG2 4.44Å; F227-I250 HydrophobicContact CE1-CB 4.41Å; I250-L259 HydrophobicContact CD1-CD2 4.25Å
251	W	98.1	Very high	97.5	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.015	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	142.6	164.7	178.9	99.2	0	0	0	108.8	L195 L198 L202 R205 Y206 N253 F258 L259 I260	L195-W251 HydrophobicContact CB-CD2 4.4Å; L195-W251 HydrophobicContact CB-CG 4.22Å; L195-W251 HydrophobicContact CD1-CB 3.56Å; L195-W251 HydrophobicContact CD1-CD2 3.93Å; L195-W251 HydrophobicContact CD1-CE3 4.43Å; L195-W251 HydrophobicContact CD1-CG 3.53Å; L195-W251 HydrophobicContact CG-CG 4.43Å; L198-W251 HydrophobicContact CD1-CH2 3.66Å; L198-W251 HydrophobicContact CD1-CZ2 3.68Å; L198-W251 HydrophobicContact CD1-CZ3 4.4Å; L202-W251 WeakPolarHBondContact O-CH2 3.28Å; L202-W251 WeakPolarHBondContact O-CZ2 3.32Å; R205-W251 WeakPolarHBondContact O-CA 3.44Å; Y206-W251 HydrophobicContact CD2-CB 4.05Å; W251-N253 HydrophobicContact CH2-CB 3.93Å; W251-N253 HydrophobicContact CZ3-CB 4.45Å; W251-F258 AromaticContact CH2-CD1 3.85Å; W251-F258 HydrophobicContact CH2-CD1 3.85Å; W251-F258 HydrophobicContact CH2-CE1 4.46Å; W251-F258 AromaticContact CZ3-CD1 3.5Å; W251-F258 HydrophobicContact CZ3-CD1 3.5Å; W251-F258 VanDerWaalsContact CZ3-CD1 3.5Å; W251-F258 HydrophobicContact CZ3-CE1 4.08Å; W251-F258 HydrophobicContact CZ3-CG 4.39Å; W251-F258 WeakPolarHBondContact CZ3-O 3.37Å; W251-L259 CarbonylContact O-C 3.49Å; W251-L259 WeakPolarHBondContact O-CA 3.41Å; W251-I260 HydrophobicContact CB-CB 4.47Å; W251-I260 HydrophobicContact CE3-CB 4.27Å; W251-I260 HydrophobicContact CE3-CD1 4.17Å; W251-I260 HydrophobicContact CE3-CG1 4.07Å; W251-I260 HydrophobicContact CZ3-CD1 4.41Å; W251-I260 HydrophobicContact CZ3-CG1 4.46Å; W251-I260 PolarHBondContact N-O 3.19Å; W251-I260 PolarHBondContact O-N 3.04Å
252	H	97.8	Very high	97.6	Very high	12 Å²	12	32.7 Å²	32.7	6%	0.056	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	152.5	166.1	65.2	76.1	0	0	0	111.2	G204 R205 Y207 F258 L259	G204-H252 CarbonylContact C-O 3.57Å; G204-H252 WeakPolarHBondContact CA-O 3.12Å; R205-H252 PolarHBondContact N-O 2.98Å; R205-H252 PolarHBondContact O-N 3.44Å; Y207-H252 AromaticContact CE2-CD2 3.85Å; Y207-H252 AromaticContact CE2-NE2 3.36Å; Y207-H252 WeakPolarHBondContact CE2-NE2 3.27Å; Y207-H252 AromaticContact CZ-NE2 3.93Å; H252-F258 CarbonylContact C-O 3.55Å; H252-F258 VanDerWaalsContact CA-O 3.32Å; H252-F258 WeakPolarHBondContact CA-O 3.46Å; H252-L259 HydrophobicContact CB-CB 4.33Å; H252-L259 HydrophobicContact CB-CD2 3.99Å; H252-L259 HydrophobicContact CB-CG 3.81Å
253	N	98.3	Very high	97.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	164.4	171.1	74.2	-24	0	0	0	111.4	D201 A203 W251 E255 K256 T257 F258	D201-N253 WeakPolarHBondContact O-CB 3.12Å; D201-N253 PolarHBondContact O-ND2 3.43Å; A203-N253 CarbonylContact O-C 3.51Å; A203-N253 VanDerWaalsContact O-CA 3.25Å; A203-N253 WeakPolarHBondContact O-CA 3.24Å; A203-N253 WeakPolarHBondContact O-CB 3.43Å; W251-N253 HydrophobicContact CH2-CB 3.93Å; W251-N253 HydrophobicContact CZ3-CB 4.45Å; N253-E255 PolarHBondContact O-N 2.78Å; N253-K256 PolarHBondContact O-N 3.41Å; N253-K256 WeakPolarHBondContact OD1-CA 3.27Å; N253-K256 PolarHBondContact OD1-N 3.35Å; N253-T257 PolarHBondContact ND2-OG1 3.34Å; N253-T257 PolarHBondContact OD1-N 3.17Å; N253-F258 HydrophobicContact CB-CB 4.38Å; N253-F258 PolarHBondContact N-O 2.81Å; N253-F258 PolarHBondContact OD1-N 2.85Å; N253-F258 PolarHBondContact OD1-O 3.1Å
254	N	96.9	Very high	97.5	Very high	122 Å²	122	27.3 Å²	27.3	65%	0.652	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.5	-177.5	-64.9	-32.4	0	0	0	113	A203 K256	A203-N254 PolarHBondContact O-N 2.94Å; A203-N254 PolarHBondContact O-ND2 2.64Å; N254-K256 VanDerWaalsContact C-N 3.32Å
255	E	96.5	Very high	97.4	Very high	134 Å²	134	27.1 Å²	27.1	63%	0.626	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.1	179.6	-63.4	-171.6	176.9	0	0	114	N253 T257	N253-E255 PolarHBondContact O-N 2.78Å; E255-T257 HydrophobicContact CB-CG2 4.28Å; E255-T257 PolarHBondContact O-N 2.96Å
256	K	95.8	Very high	97.6	Very high	69 Å²	69	25 Å²	25	30%	0.3	12%	0.122	S	C	.	.	S	Bend	trans	58.3	32.5	179.6	-66.8	167.9	162.4	-166.9	0	113.6	D223 F225 N253 N254	D223-K256 IonicContact OD1-NZ 2.79Å; D223-K256 IonicContact OD2-NZ 2.63Å; D223-K256 PolarHBondContact OD2-NZ 3.16Å; F225-K256 HydrophobicContact CE2-CB 3.5Å; F225-K256 VanDerWaalsContact CE2-CB 3.5Å; F225-K256 HydrophobicContact CE2-CD 3.74Å; F225-K256 HydrophobicContact CE2-CG 3.64Å; F225-K256 HydrophobicContact CZ-CB 3.64Å; F225-K256 HydrophobicContact CZ-CD 4.48Å; F225-K256 HydrophobicContact CZ-CG 4.31Å; N253-K256 PolarHBondContact O-N 3.41Å; N253-K256 WeakPolarHBondContact OD1-CA 3.27Å; N253-K256 PolarHBondContact OD1-N 3.35Å; N254-K256 VanDerWaalsContact C-N 3.32Å
257	T	97.1	Very high	97.6	Very high	22 Å²	22	23 Å²	23	14%	0.135	11%	0.111	C	C	.	.	S	Bend	trans	-112.2	-10.6	-179	54.8	0	0	0	0	113.5	N253 E255 S272 M273 R285	N253-T257 PolarHBondContact ND2-OG1 3.34Å; N253-T257 PolarHBondContact OD1-N 3.17Å; E255-T257 HydrophobicContact CB-CG2 4.28Å; E255-T257 PolarHBondContact O-N 2.96Å; T257-S272 WeakPolarHBondContact O-CA 3.43Å; T257-M273 WeakPolarHBondContact CA-O 3.46Å; T257-M273 PolarHBondContact O-N 3.36Å; T257-R285 PolarHBondContact O-NE 3.25Å; T257-R285 PolarHBondContact O-NH2 2.98Å
258	F	98.5	Very high	97.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	122.5	173.7	-169.5	-117	0	0	0	109.3	L202 W251 H252 N253 I260 V270 I271	L202-F258 HydrophobicContact CD2-CB 4.2Å; L202-F258 HydrophobicContact CD2-CD1 3.79Å; L202-F258 HydrophobicContact CD2-CE1 4.36Å; L202-F258 HydrophobicContact CD2-CG 4.01Å; W251-F258 AromaticContact CH2-CD1 3.85Å; W251-F258 HydrophobicContact CH2-CD1 3.85Å; W251-F258 HydrophobicContact CH2-CE1 4.46Å; W251-F258 AromaticContact CZ3-CD1 3.5Å; W251-F258 HydrophobicContact CZ3-CD1 3.5Å; W251-F258 VanDerWaalsContact CZ3-CD1 3.5Å; W251-F258 HydrophobicContact CZ3-CE1 4.08Å; W251-F258 HydrophobicContact CZ3-CG 4.39Å; W251-F258 WeakPolarHBondContact CZ3-O 3.37Å; H252-F258 CarbonylContact C-O 3.55Å; H252-F258 VanDerWaalsContact CA-O 3.32Å; H252-F258 WeakPolarHBondContact CA-O 3.46Å; N253-F258 HydrophobicContact CB-CB 4.38Å; N253-F258 PolarHBondContact N-O 2.81Å; N253-F258 PolarHBondContact OD1-N 2.85Å; N253-F258 PolarHBondContact OD1-O 3.1Å; F258-I260 HydrophobicContact CE1-CD1 4.05Å; F258-I260 HydrophobicContact CE1-CG1 4.44Å; F258-I260 HydrophobicContact CZ-CD1 4.42Å; F258-V270 HydrophobicContact CE1-CG1 4.46Å; F258-V270 HydrophobicContact CE2-CG1 3.5Å; F258-V270 HydrophobicContact CZ-CG1 3.39Å; F258-I271 CarbonylContact C-O 3.36Å; F258-I271 WeakPolarHBondContact CA-O 3.33Å; F258-I271 VanDerWaalsContact CD2-O 3.28Å; F258-I271 WeakPolarHBondContact CD2-O 3.31Å
259	L	98	Very high	97.7	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.4	-171.6	-52.8	92.4	0	0	0	110.7	F225 I250 W251 H252 I271 M273	F225-L259 HydrophobicContact CB-CD2 3.66Å; F225-L259 HydrophobicContact CD1-CD2 3.37Å; F225-L259 HydrophobicContact CD2-CD2 3.77Å; F225-L259 HydrophobicContact CE1-CD1 4.41Å; F225-L259 HydrophobicContact CE1-CD2 3.9Å; F225-L259 HydrophobicContact CE2-CD2 4.25Å; F225-L259 HydrophobicContact CG-CD2 3.31Å; F225-L259 HydrophobicContact CZ-CD2 4.33Å; I250-L259 HydrophobicContact CD1-CD2 4.25Å; W251-L259 CarbonylContact O-C 3.49Å; W251-L259 WeakPolarHBondContact O-CA 3.41Å; H252-L259 HydrophobicContact CB-CB 4.33Å; H252-L259 HydrophobicContact CB-CD2 3.99Å; H252-L259 HydrophobicContact CB-CG 3.81Å; L259-I271 HydrophobicContact CB-CB 4.26Å; L259-I271 HydrophobicContact CD1-CG2 4.3Å; L259-I271 PolarHBondContact N-O 3.36Å; L259-I271 PolarHBondContact O-N 3.25Å; L259-M273 HydrophobicContact CD1-CG 3.77Å; L259-M273 HydrophobicContact CD1-SD 3.89Å
260	I	98.5	Very high	97.7	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	118.1	175.7	-59.7	175.4	0	0	0	108.6	L195 W251 F258 V262 T268 R269 V270 V293	L195-I260 HydrophobicContact CD1-CB 4.15Å; L195-I260 HydrophobicContact CD1-CD1 3.94Å; L195-I260 HydrophobicContact CD1-CG2 4.24Å; L195-I260 HydrophobicContact CD2-CD1 3.32Å; L195-I260 HydrophobicContact CG-CD1 4.27Å; W251-I260 HydrophobicContact CB-CB 4.47Å; W251-I260 HydrophobicContact CE3-CB 4.27Å; W251-I260 HydrophobicContact CE3-CD1 4.17Å; W251-I260 HydrophobicContact CE3-CG1 4.07Å; W251-I260 HydrophobicContact CZ3-CD1 4.41Å; W251-I260 HydrophobicContact CZ3-CG1 4.46Å; W251-I260 PolarHBondContact N-O 3.19Å; W251-I260 PolarHBondContact O-N 3.04Å; F258-I260 HydrophobicContact CE1-CD1 4.05Å; F258-I260 HydrophobicContact CE1-CG1 4.44Å; F258-I260 HydrophobicContact CZ-CD1 4.42Å; I260-V262 HydrophobicContact CG2-CG2 4.34Å; I260-T268 HydrophobicContact CG2-CG2 4.32Å; I260-R269 VanDerWaalsContact CA-O 3.31Å; I260-R269 WeakPolarHBondContact CA-O 3.34Å; I260-V270 HydrophobicContact CD1-CG1 4.48Å; I260-V270 HydrophobicContact CD1-CG2 4.3Å; I260-V270 HydrophobicContact CG1-CB 4.43Å; I260-V270 HydrophobicContact CG1-CG1 4.21Å; I260-V270 HydrophobicContact CG1-CG2 4.16Å; I260-V270 HydrophobicContact CG2-CG2 4.5Å; I260-V293 HydrophobicContact CD1-CG2 4.01Å
261	W	98.4	Very high	97.8	Very high	35 Å²	35	23.3 Å²	23.3	13%	0.133	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	136.9	168.1	-58.1	-16.9	0	0	0	109.2	F225 F227 T268 R269 I271	F225-W261 WeakPolarHBondContact O-CZ2 3.38Å; F225-W261 PolarHBondContact O-NE1 2.96Å; F227-W261 HydrophobicContact CB-CD2 4.23Å; F227-W261 HydrophobicContact CB-CE3 4.04Å; F227-W261 HydrophobicContact CB-CH2 3.95Å; F227-W261 HydrophobicContact CB-CZ2 4.14Å; F227-W261 HydrophobicContact CB-CZ3 3.9Å; F227-W261 HydrophobicContact CD1-CB 3.82Å; F227-W261 AromaticContact CD1-CD1 3.55Å; F227-W261 AromaticContact CD1-CD2 3.39Å; F227-W261 HydrophobicContact CD1-CD2 3.39Å; F227-W261 AromaticContact CD1-CE2 3.66Å; F227-W261 AromaticContact CD1-CE3 3.9Å; F227-W261 HydrophobicContact CD1-CE3 3.9Å; F227-W261 AromaticContact CD1-CG 3.34Å; F227-W261 HydrophobicContact CD1-CG 3.34Å; F227-W261 HydrophobicContact CD1-CZ2 4.36Å; F227-W261 AromaticContact CD1-NE1 3.72Å; F227-W261 HydrophobicContact CE1-CB 3.48Å; F227-W261 VanDerWaalsContact CE1-CB 3.48Å; F227-W261 AromaticContact CE1-CD1 3.7Å; F227-W261 HydrophobicContact CE1-CD2 4.05Å; F227-W261 AromaticContact CE1-CG 3.48Å; F227-W261 HydrophobicContact CE1-CG 3.48Å; F227-W261 VanDerWaalsContact CE1-CG 3.48Å; F227-W261 HydrophobicContact CG-CD2 4.09Å; F227-W261 HydrophobicContact CG-CE3 4.15Å; F227-W261 HydrophobicContact CG-CG 4.4Å; F227-W261 HydrophobicContact CZ-CB 4.26Å; W261-T268 CarbonylContact O-C 3.58Å; W261-T268 VanDerWaalsContact O-CA 3.25Å; W261-T268 WeakPolarHBondContact O-CA 3.31Å; W261-R269 HydrophobicContact CB-CB 4.19Å; W261-R269 HydrophobicContact CE3-CB 4.38Å; W261-R269 PolarHBondContact N-O 3Å; W261-R269 PolarHBondContact O-N 2.91Å; W261-I271 HydrophobicContact CD2-CD1 4.02Å; W261-I271 HydrophobicContact CG-CD1 4.37Å; W261-I271 HydrophobicContact CZ2-CD1 4.22Å
262	V	98.7	Very high	97.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.5	-176.9	-174.9	0	0	0	0	109.2	E188 V191 Y206 R248 G249 I260 E264	E188-V262 HydrophobicContact CB-CG1 4.27Å; V191-V262 HydrophobicContact CG1-CG2 3.91Å; Y206-V262 HydrophobicContact CE2-CB 4.26Å; Y206-V262 HydrophobicContact CE2-CG2 3.92Å; R248-V262 WeakPolarHBondContact CA-O 3.26Å; G249-V262 PolarHBondContact N-O 2.72Å; G249-V262 PolarHBondContact O-N 3.46Å; I260-V262 HydrophobicContact CG2-CG2 4.34Å; V262-E264 PolarHBondContact O-N 3.12Å
263	N	98.5	Very high	97.7	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	12%	0.118	C	C	.	.	S	Bend	trans	59.8	32.4	174.8	-69.8	-43.1	0	0	0	116.8	R184 V187 A247 R248 H267	R184-N263 HydrophobicContact CG-CB 3.92Å; R184-N263 WeakPolarHBondContact CG-ND2 3.5Å; R184-N263 PolarHBondContact O-ND2 2.97Å; V187-N263 VanDerWaalsContact CG1-OD1 3.25Å; V187-N263 WeakPolarHBondContact CG1-OD1 3.29Å; A247-N263 VanDerWaalsContact O-CB 3.3Å; A247-N263 WeakPolarHBondContact O-CB 3.41Å; A247-N263 PolarHBondContact O-ND2 2.81Å; R248-N263 WeakPolarHBondContact CD-O 3.5Å; R248-N263 HydrophobicContact CG-CB 3.96Å; R248-N263 WeakPolarHBondContact CG-O 3.11Å; R248-N263 PolarHBondContact NE-O 3.05Å; N263-H267 PolarHBondContact N-O 2.79Å
264	E	95.1	Very high	97.6	Very high	14 Å²	14	25.5 Å²	25.5	7%	0.065	12%	0.123	C	C	.	.	S	Bend	trans	-83.8	-107.4	172.6	-166.2	-90.9	155.5	0	0	110.1	F227 V262 D266	F227-E264 HydrophobicContact CB-CG 4.17Å; F227-E264 HydrophobicContact CD1-CG 4.46Å; F227-E264 HydrophobicContact CD2-CB 3.87Å; F227-E264 HydrophobicContact CD2-CG 3.23Å; F227-E264 HydrophobicContact CE2-CB 3.68Å; F227-E264 HydrophobicContact CE2-CG 3.58Å; F227-E264 HydrophobicContact CG-CB 4.39Å; F227-E264 HydrophobicContact CG-CG 3.72Å; F227-E264 HydrophobicContact CZ-CB 4.06Å; F227-E264 HydrophobicContact CZ-CG 4.34Å; V262-E264 PolarHBondContact O-N 3.12Å; E264-D266 PolarHBondContact N-O 3.31Å
265	E	95.3	Very high	97.5	Very high	52 Å²	52	28.6 Å²	28.6	24%	0.243	13%	0.131	C	C	.	.	S	Bend	trans	-80.1	-21.4	176.1	-80.3	167.4	-171.6	0	0	113.6	L235 M240 R269 T315	L235-E265 HydrophobicContact CD1-CG 3.89Å; L235-E265 HydrophobicContact CD2-CG 3.79Å; M240-E265 HydrophobicContact CE-CB 3.88Å; M240-E265 HydrophobicContact CE-CG 4.09Å; M240-E265 WeakPolarHBondContact CE-O 3.49Å; E265-R269 IonicContact OE2-CZ 2.89Å; E265-R269 IonicContact OE2-NH1 2.7Å; E265-R269 PolarHBondContact OE2-NH1 2.94Å; E265-R269 IonicContact OE2-NH2 3.46Å; E265-R269 PolarHBondContact OE2-NH2 3.19Å; E265-T315 PolarHBondContact O-OG1 2.93Å
266	D	98.5	Very high	97.5	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.011	11%	0.106	C	C	.	.	S	Bend	trans	-141.7	170.2	179.6	-70.1	-63.3	0	0	0	107.9	E264 T268 R269 L314 T315	E264-D266 PolarHBondContact N-O 3.31Å; D266-T268 VanDerWaalsContact C-N 3.25Å; D266-T268 PolarHBondContact O-N 2.8Å; D266-R269 IonicContact OD2-CZ 3.19Å; D266-R269 IonicContact OD2-NE 2.84Å; D266-R269 PolarHBondContact OD2-NE 2.9Å; D266-R269 IonicContact OD2-NH2 3.11Å; D266-R269 PolarHBondContact OD2-NH2 2.91Å; D266-L314 HydrophobicContact CB-CD2 4.16Å; D266-T315 VanDerWaalsContact OD1-CB 3.27Å; D266-T315 WeakPolarHBondContact OD1-CB 3.31Å; D266-T315 PolarHBondContact OD1-N 3.16Å; D266-T315 PolarHBondContact OD1-OG1 3.21Å
267	H	98.9	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-54.9	-45.3	175.9	-69.7	176.7	0	0	0	111.4	I170 L173 S174 V187 N263	I170-H267 PolarHBondContact N-ND1 2.99Å; I170-H267 VanDerWaalsContact N-ND1 3.14Å; L173-H267 PolarHBondContact O-CE1 2.98Å; S174-H267 PolarHBondContact O-NE2 3.37Å; V187-H267 HydrophobicContact CG1-CB 3.64Å; V187-H267 HydrophobicContact CG2-CB 4.49Å; N263-H267 PolarHBondContact N-O 2.79Å
268	T	98.8	Very high	97.6	Very high	5 Å²	5	19.8 Å²	19.8	3%	0.031	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	145.6	171.8	64.5	0	0	0	0	112	G167 R168 V191 I260 W261 D266	G167-T268 WeakPolarHBondContact CA-O 3.47Å; R168-T268 WeakPolarHBondContact CB-OG1 3.38Å; R168-T268 PolarHBondContact N-O 3.4Å; R168-T268 VanDerWaalsContact N-O 3.12Å; R168-T268 PolarHBondContact N-OG1 2.9Å; R168-T268 PolarHBondContact O-N 2.93Å; R168-T268 VanDerWaalsContact O-N 3.08Å; R168-T268 PolarHBondContact O-OG1 3.3Å; V191-T268 HydrophobicContact CB-CG2 4.32Å; V191-T268 HydrophobicContact CG1-CG2 3.84Å; V191-T268 HydrophobicContact CG2-CG2 3.5Å; V191-T268 VanDerWaalsContact CG2-CG2 3.5Å; I260-T268 HydrophobicContact CG2-CG2 4.32Å; W261-T268 CarbonylContact O-C 3.58Å; W261-T268 VanDerWaalsContact O-CA 3.25Å; W261-T268 WeakPolarHBondContact O-CA 3.31Å; D266-T268 VanDerWaalsContact C-N 3.25Å; D266-T268 PolarHBondContact O-N 2.8Å
269	R	98.4	Very high	97.6	Very high	9 Å²	9	19.8 Å²	19.8	3%	0.034	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	109.4	161	-70.2	-71.6	-177.3	81.8	-3.2	108.9	T166 I260 W261 E265 D266 N319	T166-R269 CarbonylContact O-C 3.6Å; T166-R269 VanDerWaalsContact O-CA 3.29Å; T166-R269 WeakPolarHBondContact O-CA 3.31Å; T166-R269 WeakPolarHBondContact O-CD 3.28Å; I260-R269 VanDerWaalsContact CA-O 3.31Å; I260-R269 WeakPolarHBondContact CA-O 3.34Å; W261-R269 HydrophobicContact CB-CB 4.19Å; W261-R269 HydrophobicContact CE3-CB 4.38Å; W261-R269 PolarHBondContact N-O 3Å; W261-R269 PolarHBondContact O-N 2.91Å; E265-R269 IonicContact OE2-CZ 2.89Å; E265-R269 IonicContact OE2-NH1 2.7Å; E265-R269 PolarHBondContact OE2-NH1 2.94Å; E265-R269 IonicContact OE2-NH2 3.46Å; E265-R269 PolarHBondContact OE2-NH2 3.19Å; D266-R269 IonicContact OD2-CZ 3.19Å; D266-R269 IonicContact OD2-NE 2.84Å; D266-R269 PolarHBondContact OD2-NE 2.9Å; D266-R269 IonicContact OD2-NH2 3.11Å; D266-R269 PolarHBondContact OD2-NH2 2.91Å; R269-N319 PolarHBondContact NH2-ND2 3.26Å
270	V	98.4	Very high	97.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.6	-179.7	-176.5	0	0	0	0	109.2	R165 T166 F258 I260 L290	R165-V270 CarbonylContact C-O 3.53Å; R165-V270 WeakPolarHBondContact CA-O 3.37Å; T166-V270 HydrophobicContact CG2-CB 4.25Å; T166-V270 PolarHBondContact N-O 3.41Å; T166-V270 PolarHBondContact O-N 3.17Å; F258-V270 HydrophobicContact CE1-CG1 4.46Å; F258-V270 HydrophobicContact CE2-CG1 3.5Å; F258-V270 HydrophobicContact CZ-CG1 3.39Å; I260-V270 HydrophobicContact CD1-CG1 4.48Å; I260-V270 HydrophobicContact CD1-CG2 4.3Å; I260-V270 HydrophobicContact CG1-CB 4.43Å; I260-V270 HydrophobicContact CG1-CG1 4.21Å; I260-V270 HydrophobicContact CG1-CG2 4.16Å; I260-V270 HydrophobicContact CG2-CG2 4.5Å; V270-L290 HydrophobicContact CB-CD1 4.08Å; V270-L290 HydrophobicContact CG1-CD1 4.05Å; V270-L290 HydrophobicContact CG2-CD1 3.88Å
271	I	98.5	Very high	97.6	Very high	3 Å²	3	29 Å²	29	2%	0.015	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.5	-169.3	-59.6	161.2	0	0	0	108.9	R163 V164 R165 F258 L259 W261 M273	R163-I271 HydrophobicContact CG-CG2 4.1Å; R163-I271 VanDerWaalsContact NH2-CD1 3.28Å; V164-I271 WeakPolarHBondContact O-CA 2.93Å; R165-I271 HydrophobicContact CB-CG1 3.87Å; F258-I271 CarbonylContact C-O 3.36Å; F258-I271 WeakPolarHBondContact CA-O 3.33Å; F258-I271 VanDerWaalsContact CD2-O 3.28Å; F258-I271 WeakPolarHBondContact CD2-O 3.31Å; L259-I271 HydrophobicContact CB-CB 4.26Å; L259-I271 HydrophobicContact CD1-CG2 4.3Å; L259-I271 PolarHBondContact N-O 3.36Å; L259-I271 PolarHBondContact O-N 3.25Å; W261-I271 HydrophobicContact CD2-CD1 4.02Å; W261-I271 HydrophobicContact CG-CD1 4.37Å; W261-I271 HydrophobicContact CZ2-CD1 4.22Å; I271-M273 HydrophobicContact CG2-CB 4.46Å; I271-M273 HydrophobicContact CG2-CG 4.28Å; I271-M273 HydrophobicContact CG2-SD 4.07Å
272	S	98.6	Very high	97.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.2	162.9	-176.3	0	0	0	0	108.3	R163 V164 T257 V282 R285	R163-S272 CarbonylContact C-O 3.59Å; R163-S272 WeakPolarHBondContact CA-O 3.32Å; V164-S272 PolarHBondContact N-O 3.44Å; V164-S272 PolarHBondContact O-N 3.07Å; V164-S272 VanDerWaalsContact O-O 3.13Å; T257-S272 WeakPolarHBondContact O-CA 3.43Å; S272-V282 WeakPolarHBondContact CB-O 3.33Å; S272-V282 VanDerWaalsContact O-CG1 3.28Å; S272-V282 WeakPolarHBondContact O-CG1 3.45Å; S272-V282 PolarHBondContact OG-O 2.9Å; S272-R285 PolarHBondContact OG-NE 2.85Å; S272-R285 VanDerWaalsContact OG-NE 3.13Å; S272-R285 PolarHBondContact OG-NH2 3.15Å
273	M	96.9	Very high	97.7	Very high	40 Å²	40	27.4 Å²	27.4	20%	0.197	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	156.3	179.1	60.7	-171.2	-74.5	0	0	112.1	S162 R163 F225 T257 L259 I271 R285	S162-M273 VanDerWaalsContact O-CA 3.31Å; S162-M273 WeakPolarHBondContact O-CA 3.42Å; R163-M273 HydrophobicContact CB-CB 3.9Å; R163-M273 HydrophobicContact CG-CB 3.95Å; F225-M273 HydrophobicContact CD1-SD 4.37Å; F225-M273 HydrophobicContact CE1-CE 4.13Å; F225-M273 HydrophobicContact CE1-SD 4.07Å; T257-M273 WeakPolarHBondContact CA-O 3.46Å; T257-M273 PolarHBondContact O-N 3.36Å; L259-M273 HydrophobicContact CD1-CG 3.77Å; L259-M273 HydrophobicContact CD1-SD 3.89Å; I271-M273 HydrophobicContact CG2-CB 4.46Å; I271-M273 HydrophobicContact CG2-CG 4.28Å; I271-M273 HydrophobicContact CG2-SD 4.07Å; M273-R285 PolarHBondContact O-NH2 3.47Å
274	E	95.4	Very high	97.7	Very high	22 Å²	22	31.1 Å²	31.1	10%	0.103	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	162.8	169.8	66.2	-159.4	-133.1	0	0	110.9	S161 S162 N278 R281 V282 R285	S161-E274 WeakPolarHBondContact CA-O 3.36Å; S161-E274 WeakPolarHBondContact CB-O 3.28Å; S162-E274 PolarHBondContact N-O 2.91Å; S162-E274 PolarHBondContact O-N 3.25Å; E274-N278 WeakPolarHBondContact OE1-CB 3.1Å; E274-R281 IonicContact OE1-CZ 3.36Å; E274-R281 IonicContact OE1-NE 2.77Å; E274-R281 PolarHBondContact OE1-NE 3.28Å; E274-R281 IonicContact OE1-NH2 3.73Å; E274-R281 PolarHBondContact OE1-NH2 2.96Å; E274-R281 IonicContact OE2-NE 2.85Å; E274-R281 PolarHBondContact OE2-NE 2.8Å; E274-V282 HydrophobicContact CB-CG2 4.36Å; E274-V282 HydrophobicContact CG-CG2 3.36Å; E274-V282 WeakPolarHBondContact OE2-CG2 3.25Å; E274-R285 IonicContact OE2-CZ 2.81Å; E274-R285 IonicContact OE2-NH1 2.97Å; E274-R285 PolarHBondContact OE2-NH1 3.26Å; E274-R285 IonicContact OE2-NH2 3.93Å; E274-R285 PolarHBondContact OE2-NH2 3.02Å
275	K	94.9	Very high	97.8	Very high	187 Å²	187	31.6 Å²	31.6	81%	0.813	14%	0.142	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	152.5	168.4	-67.6	-176.1	178.1	179.4	0	110
276	G	96.3	Very high	98	Very high	10 Å²	10	29.2 Å²	29.2	10%	0.103	13%	0.13	C	C	.	.	S	Bend	trans	82.4	-166.1	-179.4	0	0	0	0	0	114.4	E156 L160 S161 S162	E156-G276 WeakPolarHBondContact OE1-CA 3.45Å; L160-G276 PolarHBondContact O-N 3.16Å; S161-G276 CarbonylContact C-O 3.44Å; S161-G276 WeakPolarHBondContact CA-O 3.38Å; S162-G276 PolarHBondContact N-O 3.26Å; S162-G276 PolarHBondContact OG-O 2.91Å
277	G	97	Very high	98	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-103.1	4.1	-162.8	0	0	0	0	0	115.9	F154 E156 M279	F154-G277 WeakPolarHBondContact CD2-O 3.1Å; F154-G277 PolarHBondContact N-O 3.21Å; E156-G277 PolarHBondContact OE1-N 3.25Å; G277-M279 VanDerWaalsContact C-N 3.28Å; G277-M279 PolarHBondContact O-N 2.99Å
278	N	98.4	Very high	98	Very high	29 Å²	29	32.4 Å²	32.4	16%	0.155	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-83.8	65.9	-171.7	-165.8	-11.3	0	0	0	113.1	G152 M153 E274 K280 R281 V282	G152-N278 CarbonylContact O-C 3.53Å; M153-N278 HydrophobicContact CE-CB 3.87Å; M153-N278 HydrophobicContact SD-CB 3.77Å; E274-N278 WeakPolarHBondContact OE1-CB 3.1Å; N278-K280 PolarHBondContact O-N 3.41Å; N278-R281 HydrophobicContact CB-CB 4.41Å; N278-R281 PolarHBondContact O-N 3.11Å; N278-R281 WeakPolarHBondContact OD1-CB 3.4Å; N278-R281 PolarHBondContact OD1-N 2.93Å; N278-R281 VanDerWaalsContact OD1-N 3.07Å; N278-V282 WeakPolarHBondContact O-CG2 3.34Å; N278-V282 PolarHBondContact O-N 3.18Å; N278-V282 VanDerWaalsContact O-N 3.17Å
279	M	98.6	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-53.7	-32.6	174.8	-177.4	58.2	69.7	0	0	113.2	G152 F154 V164 G277 V282 F283 G327 V328 V383 V387	G152-M279 PolarHBondContact O-N 2.96Å; F154-M279 HydrophobicContact CD2-CB 4.24Å; F154-M279 HydrophobicContact CE2-CB 3.55Å; F154-M279 HydrophobicContact CE2-CE 4.08Å; F154-M279 HydrophobicContact CE2-CG 4.19Å; F154-M279 HydrophobicContact CZ-CB 4.12Å; F154-M279 HydrophobicContact CZ-CG 4.46Å; V164-M279 HydrophobicContact CG2-SD 3.58Å; V164-M279 VanDerWaalsContact CG2-SD 3.58Å; G277-M279 VanDerWaalsContact C-N 3.28Å; G277-M279 PolarHBondContact O-N 2.99Å; M279-V282 PolarHBondContact O-N 2.82Å; M279-F283 WeakPolarHBondContact O-CB 3.25Å; M279-F283 PolarHBondContact O-N 3.11Å; M279-G327 WeakPolarHBondContact CE-O 3.43Å; M279-V328 HydrophobicContact CE-CG1 3.91Å; M279-V383 HydrophobicContact CG-CG1 3.97Å; M279-V383 HydrophobicContact SD-CG1 4.33Å; M279-V387 HydrophobicContact CB-CG2 4.41Å; M279-V387 HydrophobicContact CG-CG2 4Å
280	K	98.4	Very high	98	Very high	73 Å²	73	31.8 Å²	31.8	32%	0.317	15%	0.145	S	C	.	.	H	α-helix	trans	-62.4	-50.4	178.4	-179.2	169.4	176.9	171.2	0	111.7	L149 G152 N278 V282 F283 E284	L149-K280 HydrophobicContact CD2-CB 4.14Å; L149-K280 HydrophobicContact CD2-CG 4.34Å; G152-K280 PolarHBondContact O-N 3.02Å; G152-K280 VanDerWaalsContact O-N 3.09Å; N278-K280 PolarHBondContact O-N 3.41Å; K280-V282 VanDerWaalsContact C-N 3.33Å; K280-V282 PolarHBondContact O-N 3.09Å; K280-F283 PolarHBondContact O-N 3.07Å; K280-F283 VanDerWaalsContact O-N 3.17Å; K280-E284 WeakPolarHBondContact CE-OE1 3.49Å; K280-E284 HydrophobicContact CG-CG 4.46Å; K280-E284 WeakPolarHBondContact O-CG 3.38Å; K280-E284 PolarHBondContact O-N 3.48Å
281	R	98.5	Very high	98	Very high	125 Å²	125	36.5 Å²	36.5	47%	0.472	17%	0.165	S	C	.	.	H	α-helix	trans	-63	-39.9	176.8	-177.2	173.1	59.9	-165.4	-2.5	112	E274 N278 F283 E284 R285	E274-R281 IonicContact OE1-CZ 3.36Å; E274-R281 IonicContact OE1-NE 2.77Å; E274-R281 PolarHBondContact OE1-NE 3.28Å; E274-R281 IonicContact OE1-NH2 3.73Å; E274-R281 PolarHBondContact OE1-NH2 2.96Å; E274-R281 IonicContact OE2-NE 2.85Å; E274-R281 PolarHBondContact OE2-NE 2.8Å; N278-R281 HydrophobicContact CB-CB 4.41Å; N278-R281 PolarHBondContact O-N 3.11Å; N278-R281 WeakPolarHBondContact OD1-CB 3.4Å; N278-R281 PolarHBondContact OD1-N 2.93Å; N278-R281 VanDerWaalsContact OD1-N 3.07Å; R281-F283 VanDerWaalsContact C-N 3.29Å; R281-F283 PolarHBondContact O-N 3.19Å; R281-E284 PolarHBondContact O-N 3.03Å; R281-R285 PolarHBondContact O-N 3.24Å
282	V	98.7	Very high	98	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.6	-45.9	173.7	176.8	0	0	0	0	110.9	V164 S272 E274 N278 M279 K280 F286	V164-V282 HydrophobicContact CB-CG1 4.18Å; V164-V282 HydrophobicContact CG2-CG1 3.79Å; S272-V282 WeakPolarHBondContact CB-O 3.33Å; S272-V282 VanDerWaalsContact O-CG1 3.28Å; S272-V282 WeakPolarHBondContact O-CG1 3.45Å; S272-V282 PolarHBondContact OG-O 2.9Å; E274-V282 HydrophobicContact CB-CG2 4.36Å; E274-V282 HydrophobicContact CG-CG2 3.36Å; E274-V282 WeakPolarHBondContact OE2-CG2 3.25Å; N278-V282 WeakPolarHBondContact O-CG2 3.34Å; N278-V282 PolarHBondContact O-N 3.18Å; N278-V282 VanDerWaalsContact O-N 3.17Å; M279-V282 PolarHBondContact O-N 2.82Å; K280-V282 VanDerWaalsContact C-N 3.33Å; K280-V282 PolarHBondContact O-N 3.09Å; V282-F286 VanDerWaalsContact O-CB 3.29Å; V282-F286 WeakPolarHBondContact O-CB 3.46Å; V282-F286 PolarHBondContact O-N 3.29Å
283	F	98.8	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-73.5	-35.4	-177.8	-172	-125.6	0	0	0	113.2	A146 L149 V164 M279 K280 R281 F286 C287 L324 E379 V380 V383	A146-F283 HydrophobicContact CB-CD1 3.89Å; A146-F283 HydrophobicContact CB-CE1 4.16Å; L149-F283 HydrophobicContact CB-CD1 4.29Å; L149-F283 HydrophobicContact CD2-CB 4.19Å; L149-F283 HydrophobicContact CD2-CD1 3.95Å; L149-F283 HydrophobicContact CD2-CG 4.44Å; V164-F283 HydrophobicContact CG1-CD2 4.33Å; V164-F283 HydrophobicContact CG2-CD2 4.45Å; M279-F283 WeakPolarHBondContact O-CB 3.25Å; M279-F283 PolarHBondContact O-N 3.11Å; K280-F283 PolarHBondContact O-N 3.07Å; K280-F283 VanDerWaalsContact O-N 3.17Å; R281-F283 VanDerWaalsContact C-N 3.29Å; R281-F283 PolarHBondContact O-N 3.19Å; F283-F286 HydrophobicContact CD2-CB 4.49Å; F283-F286 AromaticContact CD2-CD1 3.93Å; F283-F286 HydrophobicContact CD2-CD1 3.93Å; F283-F286 AromaticContact CE2-CD1 3.93Å; F283-F286 HydrophobicContact CE2-CD1 3.93Å; F283-F286 HydrophobicContact CE2-CE1 4.36Å; F283-F286 WeakPolarHBondContact O-CB 3.49Å; F283-F286 PolarHBondContact O-N 2.74Å; F283-C287 WeakPolarHBondContact CE2-SG 3.4Å; F283-C287 WeakPolarHBondContact CZ-SG 3.44Å; F283-C287 WeakPolarHBondContact O-CB 3.37Å; F283-C287 PolarHBondContact O-N 3.23Å; F283-C287 PolarHBondContact O-SG 3.2Å; F283-L324 HydrophobicContact CE2-CD1 4.29Å; F283-E379 HydrophobicContact CE2-CB 4.32Å; F283-E379 HydrophobicContact CZ-CB 4.16Å; F283-V380 HydrophobicContact CE1-CG2 3.88Å; F283-V380 HydrophobicContact CZ-CG2 4.09Å; F283-V383 HydrophobicContact CB-CG1 4.36Å; F283-V383 HydrophobicContact CD1-CG1 4.32Å; F283-V383 HydrophobicContact CD2-CB 4.5Å; F283-V383 HydrophobicContact CD2-CG1 4.47Å; F283-V383 HydrophobicContact CD2-CG2 3.7Å; F283-V383 HydrophobicContact CE1-CG2 4.46Å; F283-V383 HydrophobicContact CE2-CG2 3.63Å; F283-V383 HydrophobicContact CG-CG1 4.14Å; F283-V383 HydrophobicContact CG-CG2 4.17Å; F283-V383 HydrophobicContact CZ-CG2 4.03Å
284	E	98.8	Very high	98	Very high	81 Å²	81	39.7 Å²	39.7	38%	0.379	18%	0.18	S	C	.	.	H	α-helix	trans	-60.1	-50.3	172.1	-74.5	168.6	168.9	0	0	111.1	A146 K280 R281 F286 C287 N288	A146-E284 HydrophobicContact CB-CB 4.32Å; A146-E284 HydrophobicContact CB-CG 3.79Å; K280-E284 WeakPolarHBondContact CE-OE1 3.49Å; K280-E284 HydrophobicContact CG-CG 4.46Å; K280-E284 WeakPolarHBondContact O-CG 3.38Å; K280-E284 PolarHBondContact O-N 3.48Å; R281-E284 PolarHBondContact O-N 3.03Å; E284-F286 VanDerWaalsContact C-N 3.33Å; E284-F286 PolarHBondContact O-N 3.13Å; E284-C287 PolarHBondContact O-N 3Å; E284-N288 WeakPolarHBondContact O-CB 3.24Å; E284-N288 PolarHBondContact O-N 3.15Å
285	R	98.8	Very high	98.2	Very high	25 Å²	25	43.4 Å²	43.4	9%	0.094	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-42.1	175	-177.9	172.4	60.4	-101.8	4.5	111.8	L202 T257 S272 M273 E274 R281 N288 G289	L202-R285 HydrophobicContact CD2-CG 4.18Å; T257-R285 PolarHBondContact O-NE 3.25Å; T257-R285 PolarHBondContact O-NH2 2.98Å; S272-R285 PolarHBondContact OG-NE 2.85Å; S272-R285 VanDerWaalsContact OG-NE 3.13Å; S272-R285 PolarHBondContact OG-NH2 3.15Å; M273-R285 PolarHBondContact O-NH2 3.47Å; E274-R285 IonicContact OE2-CZ 2.81Å; E274-R285 IonicContact OE2-NH1 2.97Å; E274-R285 PolarHBondContact OE2-NH1 3.26Å; E274-R285 IonicContact OE2-NH2 3.93Å; E274-R285 PolarHBondContact OE2-NH2 3.02Å; R281-R285 PolarHBondContact O-N 3.24Å; R285-N288 PolarHBondContact O-N 3.38Å; R285-G289 PolarHBondContact O-N 3.36Å
286	F	98.8	Very high	98.3	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-57.9	-51.8	176.5	175.9	-97.2	0	0	0	111.9	L144 V164 T166 V282 F283 E284 L290 L324	L144-F286 HydrophobicContact CD2-CE1 4.09Å; V164-F286 HydrophobicContact CB-CB 4.44Å; V164-F286 HydrophobicContact CB-CD2 4.16Å; V164-F286 HydrophobicContact CB-CG 4.19Å; V164-F286 HydrophobicContact CG1-CB 4.44Å; V164-F286 HydrophobicContact CG1-CD1 3.87Å; V164-F286 HydrophobicContact CG1-CD2 3.79Å; V164-F286 HydrophobicContact CG1-CE1 4Å; V164-F286 HydrophobicContact CG1-CE2 3.91Å; V164-F286 HydrophobicContact CG1-CG 3.76Å; V164-F286 HydrophobicContact CG1-CZ 4.01Å; T166-F286 HydrophobicContact CG2-CE2 3.81Å; T166-F286 HydrophobicContact CG2-CZ 3.47Å; T166-F286 VanDerWaalsContact CG2-CZ 3.47Å; V282-F286 VanDerWaalsContact O-CB 3.29Å; V282-F286 WeakPolarHBondContact O-CB 3.46Å; V282-F286 PolarHBondContact O-N 3.29Å; F283-F286 HydrophobicContact CD2-CB 4.49Å; F283-F286 AromaticContact CD2-CD1 3.93Å; F283-F286 HydrophobicContact CD2-CD1 3.93Å; F283-F286 AromaticContact CE2-CD1 3.93Å; F283-F286 HydrophobicContact CE2-CD1 3.93Å; F283-F286 HydrophobicContact CE2-CE1 4.36Å; F283-F286 WeakPolarHBondContact O-CB 3.49Å; F283-F286 PolarHBondContact O-N 2.74Å; E284-F286 VanDerWaalsContact C-N 3.33Å; E284-F286 PolarHBondContact O-N 3.13Å; F286-L290 HydrophobicContact CE1-CD2 3.98Å; F286-L290 HydrophobicContact CZ-CD2 3.91Å; F286-L290 VanDerWaalsContact O-CB 3.24Å; F286-L290 WeakPolarHBondContact O-CB 3.45Å; F286-L290 PolarHBondContact O-N 2.6Å; F286-L324 HydrophobicContact CE1-CD1 4.15Å; F286-L324 HydrophobicContact CZ-CD1 4.47Å
287	C	98.7	Very high	98.4	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.027	16%	0.16	C	C	.	.	H	α-helix	trans	-65.9	-41.8	-178.6	-67	0	0	0	0	111.8	L144 A146 F283 E284 K291	L144-C287 HydrophobicContact CB-CB 4.45Å; A146-C287 HydrophobicContact CB-CB 4.17Å; F283-C287 WeakPolarHBondContact CE2-SG 3.4Å; F283-C287 WeakPolarHBondContact CZ-SG 3.44Å; F283-C287 WeakPolarHBondContact O-CB 3.37Å; F283-C287 PolarHBondContact O-N 3.23Å; F283-C287 PolarHBondContact O-SG 3.2Å; E284-C287 PolarHBondContact O-N 3Å; C287-K291 VanDerWaalsContact O-CG 3.29Å; C287-K291 WeakPolarHBondContact O-CG 3.38Å; C287-K291 PolarHBondContact O-N 3.27Å; C287-K291 VanDerWaalsContact O-N 3.15Å
288	N	98.6	Very high	98.5	Very high	66 Å²	66	40 Å²	40	35%	0.353	18%	0.182	S	C	.	.	H	α-helix	trans	-61.8	-52.1	176.8	-179.3	36.5	0	0	0	111.2	E284 R285 L290 K291 Q292	E284-N288 WeakPolarHBondContact O-CB 3.24Å; E284-N288 PolarHBondContact O-N 3.15Å; R285-N288 PolarHBondContact O-N 3.38Å; N288-L290 PolarHBondContact O-N 3.42Å; N288-K291 PolarHBondContact O-N 2.89Å; N288-Q292 PolarHBondContact ND2-NE2 3.15Å; N288-Q292 WeakPolarHBondContact O-CG 3.21Å; N288-Q292 PolarHBondContact O-N 2.88Å; N288-Q292 PolarHBondContact OD1-NE2 2.93Å
289	G	98.5	Very high	98.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-43.1	-179.6	0	0	0	0	0	112.6	R285 K291 Q292 V293	R285-G289 PolarHBondContact O-N 3.36Å; G289-K291 PolarHBondContact O-N 3.44Å; G289-Q292 PolarHBondContact O-N 3.04Å; G289-V293 VanDerWaalsContact O-CG2 3.28Å; G289-V293 WeakPolarHBondContact O-CG2 3.32Å; G289-V293 PolarHBondContact O-N 3.48Å
290	L	97.9	Very high	98.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-42.7	180	-165.6	63.3	0	0	0	112.5	L144 T166 R168 V270 F286 N288 V293 E294	L144-L290 HydrophobicContact CD1-CD2 3.92Å; L144-L290 HydrophobicContact CD2-CD2 4.16Å; T166-L290 HydrophobicContact CG2-CD1 4.17Å; T166-L290 HydrophobicContact CG2-CD2 4.02Å; R168-L290 HydrophobicContact CG-CD1 4.1Å; V270-L290 HydrophobicContact CB-CD1 4.08Å; V270-L290 HydrophobicContact CG1-CD1 4.05Å; V270-L290 HydrophobicContact CG2-CD1 3.88Å; F286-L290 HydrophobicContact CE1-CD2 3.98Å; F286-L290 HydrophobicContact CZ-CD2 3.91Å; F286-L290 VanDerWaalsContact O-CB 3.24Å; F286-L290 WeakPolarHBondContact O-CB 3.45Å; F286-L290 PolarHBondContact O-N 2.6Å; N288-L290 PolarHBondContact O-N 3.42Å; L290-V293 PolarHBondContact O-N 3.32Å; L290-E294 WeakPolarHBondContact O-CB 3.26Å; L290-E294 PolarHBondContact O-N 3.19Å
291	K	98.6	Very high	98.2	Very high	101 Å²	101	50.4 Å²	50.4	44%	0.439	24%	0.244	S	C	.	.	H	α-helix	trans	-63.9	-40.1	175.7	-72.1	173.7	-172.4	174.6	0	112.2	L144 C287 N288 G289 H295	L144-K291 VanDerWaalsContact O-CE 3.29Å; L144-K291 WeakPolarHBondContact O-CE 3.31Å; L144-K291 PolarHBondContact O-NZ 2.91Å; C287-K291 VanDerWaalsContact O-CG 3.29Å; C287-K291 WeakPolarHBondContact O-CG 3.38Å; C287-K291 PolarHBondContact O-N 3.27Å; C287-K291 VanDerWaalsContact O-N 3.15Å; N288-K291 PolarHBondContact O-N 2.89Å; G289-K291 PolarHBondContact O-N 3.44Å; K291-H295 WeakPolarHBondContact O-CB 3.33Å; K291-H295 PolarHBondContact O-N 2.77Å
292	Q	98.6	Very high	98.2	Very high	64 Å²	64	47.1 Å²	47.1	30%	0.299	23%	0.231	S	C	.	.	H	α-helix	trans	-68	-41.8	177.4	-71.4	-171.5	46.6	0	0	112.1	L198 N288 G289 H295 L296	L198-Q292 HydrophobicContact CD2-CB 3.76Å; N288-Q292 PolarHBondContact ND2-NE2 3.15Å; N288-Q292 WeakPolarHBondContact O-CG 3.21Å; N288-Q292 PolarHBondContact O-N 2.88Å; N288-Q292 PolarHBondContact OD1-NE2 2.93Å; G289-Q292 PolarHBondContact O-N 3.04Å; Q292-H295 PolarHBondContact O-N 2.71Å; Q292-L296 WeakPolarHBondContact O-CD1 3.43Å; Q292-L296 VanDerWaalsContact O-CG 3.28Å; Q292-L296 WeakPolarHBondContact O-CG 3.49Å; Q292-L296 PolarHBondContact O-N 2.83Å
293	V	98.3	Very high	98.1	Very high	6 Å²	6	52 Å²	52	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-45.8	175.2	172.6	0	0	0	0	110.8	L195 L198 I260 G289 L290 H295 L296 I297 F304	L195-V293 HydrophobicContact CD2-CG1 4.25Å; L195-V293 HydrophobicContact CD2-CG2 3.69Å; L198-V293 HydrophobicContact CD1-CG2 4.04Å; L198-V293 HydrophobicContact CD2-CG2 4.22Å; I260-V293 HydrophobicContact CD1-CG2 4.01Å; G289-V293 VanDerWaalsContact O-CG2 3.28Å; G289-V293 WeakPolarHBondContact O-CG2 3.32Å; G289-V293 PolarHBondContact O-N 3.48Å; L290-V293 PolarHBondContact O-N 3.32Å; V293-H295 PolarHBondContact O-N 3.17Å; V293-L296 PolarHBondContact O-N 2.95Å; V293-I297 HydrophobicContact CG1-CD1 3.78Å; V293-I297 VanDerWaalsContact O-CG1 3.31Å; V293-I297 WeakPolarHBondContact O-CG1 3.47Å; V293-I297 PolarHBondContact O-N 3.14Å; V293-F304 HydrophobicContact CG1-CZ 4.46Å
294	E	98.1	Very high	98.1	Very high	39 Å²	39	52.6 Å²	52.6	18%	0.182	26%	0.257	C	S	.	.	H	α-helix	trans	-58.1	-48	176.6	-170.9	162.1	-150.8	0	0	111.7	L290 L296 I297 Q298 F304 Y312	L290-E294 WeakPolarHBondContact O-CB 3.26Å; L290-E294 PolarHBondContact O-N 3.19Å; E294-L296 PolarHBondContact O-N 2.77Å; E294-I297 PolarHBondContact O-N 2.86Å; E294-Q298 WeakPolarHBondContact O-CG 3.44Å; E294-Q298 PolarHBondContact O-N 3.32Å; E294-F304 HydrophobicContact CB-CD2 4.26Å; E294-F304 HydrophobicContact CB-CE2 3.62Å; E294-F304 HydrophobicContact CB-CZ 4.48Å; E294-F304 HydrophobicContact CG-CD2 3.73Å; E294-F304 HydrophobicContact CG-CE2 3.63Å; E294-F304 WeakPolarHBondContact OE1-CD2 3.18Å; E294-Y312 PolarHBondContact OE1-OH 3.22Å
295	H	98.5	Very high	98.1	Very high	101 Å²	101	48.9 Å²	48.9	47%	0.468	24%	0.239	S	C	.	.	H	α-helix	trans	-57.9	-47.6	177.8	179.3	56.7	0	0	0	112.4	K291 Q292 V293 I297 Q298 E299	K291-H295 WeakPolarHBondContact O-CB 3.33Å; K291-H295 PolarHBondContact O-N 2.77Å; Q292-H295 PolarHBondContact O-N 2.71Å; V293-H295 PolarHBondContact O-N 3.17Å; H295-I297 VanDerWaalsContact C-N 3.29Å; H295-I297 PolarHBondContact O-N 3.08Å; H295-Q298 PolarHBondContact O-N 2.98Å; H295-E299 IonicContact CD2-OE1 2.88Å; H295-E299 IonicContact CE1-OE1 3.38Å; H295-E299 IonicContact NE2-OE1 3.44Å; H295-E299 PolarHBondContact NE2-OE1 3.14Å; H295-E299 WeakPolarHBondContact O-CG 3.49Å; H295-E299 PolarHBondContact O-N 2.85Å
296	L	98.4	Very high	98.1	Very high	25 Å²	25	52.5 Å²	52.5	13%	0.131	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-26.8	-179.3	-69.8	164.7	0	0	0	113.4	A194 L198 Q292 V293 E294	A194-L296 HydrophobicContact CB-CB 3.96Å; A194-L296 WeakPolarHBondContact O-CD1 3.37Å; L198-L296 HydrophobicContact CD2-CD1 3.8Å; L198-L296 HydrophobicContact CG-CD1 4.18Å; Q292-L296 WeakPolarHBondContact O-CD1 3.43Å; Q292-L296 VanDerWaalsContact O-CG 3.28Å; Q292-L296 WeakPolarHBondContact O-CG 3.49Å; Q292-L296 PolarHBondContact O-N 2.83Å; V293-L296 PolarHBondContact O-N 2.95Å; E294-L296 PolarHBondContact O-N 2.77Å
297	I	97.8	Very high	98.1	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-74.3	-44.3	172.3	-72	171.9	0	0	0	109.9	I170 A194 V293 E294 H295 R300 W302 F304	I170-I297 HydrophobicContact CD1-CD1 3.97Å; I170-I297 HydrophobicContact CD1-CG2 4.26Å; A194-I297 HydrophobicContact CB-CD1 4.49Å; A194-I297 HydrophobicContact CB-CG1 3.58Å; V293-I297 HydrophobicContact CG1-CD1 3.78Å; V293-I297 VanDerWaalsContact O-CG1 3.31Å; V293-I297 WeakPolarHBondContact O-CG1 3.47Å; V293-I297 PolarHBondContact O-N 3.14Å; E294-I297 PolarHBondContact O-N 2.86Å; H295-I297 VanDerWaalsContact C-N 3.29Å; H295-I297 PolarHBondContact O-N 3.08Å; I297-R300 PolarHBondContact O-N 2.92Å; I297-R300 VanDerWaalsContact O-N 3.13Å; I297-W302 HydrophobicContact CG2-CB 3.49Å; I297-W302 VanDerWaalsContact CG2-CB 3.49Å; I297-W302 PolarHBondContact O-N 2.86Å; I297-F304 HydrophobicContact CD1-CE1 3.56Å; I297-F304 HydrophobicContact CD1-CZ 3.61Å
298	Q	97.9	Very high	98.1	Very high	100 Å²	100	60.1 Å²	60.1	47%	0.467	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-39.3	177.7	-73.6	173.9	-9.4	0	0	113.2	E294 H295 R300 G301 W302	E294-Q298 WeakPolarHBondContact O-CG 3.44Å; E294-Q298 PolarHBondContact O-N 3.32Å; H295-Q298 PolarHBondContact O-N 2.98Å; Q298-R300 PolarHBondContact O-N 3.42Å; Q298-G301 PolarHBondContact O-N 3.2Å; Q298-W302 VanDerWaalsContact CA-O 3.31Å; Q298-W302 WeakPolarHBondContact CA-O 3.36Å
299	E	97.1	Very high	98.1	Very high	124 Å²	124	59.8 Å²	59.8	58%	0.579	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-21.6	174.4	-77.8	-173.5	153.3	0	0	113.1	H295	H295-E299 IonicContact CD2-OE1 2.88Å; H295-E299 IonicContact CE1-OE1 3.38Å; H295-E299 IonicContact NE2-OE1 3.44Å; H295-E299 PolarHBondContact NE2-OE1 3.14Å; H295-E299 WeakPolarHBondContact O-CG 3.49Å; H295-E299 PolarHBondContact O-N 2.85Å
300	R	94.1	Very high	98.1	Very high	127 Å²	127	59.8 Å²	59.8	48%	0.479	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	8.6	179.8	-61.8	172.1	-178.8	-94.3	-0.9	113.2	T193 I297 Q298	T193-R300 PolarHBondContact O-NH2 2.81Å; I297-R300 PolarHBondContact O-N 2.92Å; I297-R300 VanDerWaalsContact O-N 3.13Å; Q298-R300 PolarHBondContact O-N 3.42Å
301	G	97.8	Very high	98.1	Very high	68 Å²	68	59.8 Å²	59.8	70%	0.701	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	15.9	177.4	0	0	0	0	0	115	Q298	Q298-G301 PolarHBondContact O-N 3.2Å
302	W	98.6	Very high	98.1	Very high	57 Å²	57	55.6 Å²	55.6	22%	0.216	27%	0.265	C	S	.	.			trans	-104	152.6	176.2	-67	91.7	0	0	0	111.3	I170 L173 E186 V190 I297 Q298	I170-W302 HydrophobicContact CG2-CB 4.34Å; I170-W302 HydrophobicContact CG2-CD2 4Å; I170-W302 HydrophobicContact CG2-CE3 3.36Å; I170-W302 HydrophobicContact CG2-CG 4.43Å; I170-W302 HydrophobicContact CG2-CZ3 3.98Å; L173-W302 HydrophobicContact CD1-CH2 4.16Å; L173-W302 HydrophobicContact CD1-CZ3 3.93Å; L173-W302 HydrophobicContact CD2-CH2 4.42Å; L173-W302 HydrophobicContact CD2-CZ3 4.48Å; L173-W302 HydrophobicContact CG-CH2 4.35Å; L173-W302 HydrophobicContact CG-CZ3 3.98Å; E186-W302 HydrophobicContact CG-CH2 4.07Å; E186-W302 HydrophobicContact CG-CZ2 4.19Å; E186-W302 VanDerWaalsContact OE1-CZ2 3.3Å; E186-W302 WeakPolarHBondContact OE1-CZ2 3.4Å; V190-W302 HydrophobicContact CG1-CB 4.31Å; V190-W302 HydrophobicContact CG1-CD2 4.25Å; V190-W302 HydrophobicContact CG1-CG 3.86Å; V190-W302 HydrophobicContact CG2-CD2 3.99Å; V190-W302 VanDerWaalsContact CG2-CE2 3.43Å; V190-W302 HydrophobicContact CG2-CG 4.29Å; V190-W302 HydrophobicContact CG2-CH2 4.5Å; V190-W302 HydrophobicContact CG2-CZ2 3.73Å; I297-W302 HydrophobicContact CG2-CB 3.49Å; I297-W302 VanDerWaalsContact CG2-CB 3.49Å; I297-W302 PolarHBondContact O-N 2.86Å; Q298-W302 VanDerWaalsContact CA-O 3.31Å; Q298-W302 WeakPolarHBondContact CA-O 3.36Å
303	E	98.4	Very high	98.1	Very high	103 Å²	103	52.5 Å²	52.5	48%	0.481	25%	0.251	S	S	.	.			trans	-124.6	160	177.2	-60.3	-174.1	137.2	0	0	110.7	R171	R171-E303 HydrophobicContact CB-CB 4.23Å; R171-E303 WeakPolarHBondContact CB-O 3.45Å; R171-E303 IonicContact CZ-OE2 2.66Å; R171-E303 PolarHBondContact N-O 3.48Å; R171-E303 IonicContact NH1-OE2 2.63Å; R171-E303 PolarHBondContact NH1-OE2 2.85Å
304	F	98.8	Very high	98.2	Very high	11 Å²	11	52.3 Å²	52.3	5%	0.048	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-83.3	144.5	163.2	-67.4	-41.7	0	0	0	111	R168 S169 I170 V293 E294 I297 W306 Y312	R168-F304 HydrophobicContact CB-CD1 3.7Å; R168-F304 HydrophobicContact CB-CD2 4.38Å; R168-F304 HydrophobicContact CB-CE1 3.51Å; R168-F304 HydrophobicContact CB-CE2 4.2Å; R168-F304 HydrophobicContact CB-CG 4.14Å; R168-F304 HydrophobicContact CB-CZ 3.78Å; R168-F304 HydrophobicContact CG-CD1 4.34Å; R168-F304 HydrophobicContact CG-CD2 4.14Å; R168-F304 HydrophobicContact CG-CE1 4.09Å; R168-F304 HydrophobicContact CG-CE2 3.85Å; R168-F304 HydrophobicContact CG-CG 4.37Å; R168-F304 HydrophobicContact CG-CZ 3.82Å; S169-F304 CarbonylContact O-C 3.5Å; S169-F304 VanDerWaalsContact O-CA 3.26Å; S169-F304 WeakPolarHBondContact O-CA 3.43Å; I170-F304 HydrophobicContact CD1-CD1 4Å; I170-F304 HydrophobicContact CD1-CE1 3.77Å; V293-F304 HydrophobicContact CG1-CZ 4.46Å; E294-F304 HydrophobicContact CB-CD2 4.26Å; E294-F304 HydrophobicContact CB-CE2 3.62Å; E294-F304 HydrophobicContact CB-CZ 4.48Å; E294-F304 HydrophobicContact CG-CD2 3.73Å; E294-F304 HydrophobicContact CG-CE2 3.63Å; E294-F304 WeakPolarHBondContact OE1-CD2 3.18Å; I297-F304 HydrophobicContact CD1-CE1 3.56Å; I297-F304 HydrophobicContact CD1-CZ 3.61Å; F304-W306 PolarHBondContact O-N 3.42Å; F304-W306 VanDerWaalsContact O-N 3.13Å; F304-Y312 HydrophobicContact CB-CD1 4.22Å; F304-Y312 HydrophobicContact CB-CE1 4.04Å; F304-Y312 HydrophobicContact CD2-CE1 4.12Å; F304-Y312 HydrophobicContact CG-CE1 4.49Å
305	M	98.9	Very high	98.2	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.015	24%	0.241	C	C	.	.			trans	-64.8	111	169.4	-59.1	-180	175.9	0	0	109.2	E112 S169 I170 R171 L173 L175 I313	E112-M305 HydrophobicContact CB-CE 4.14Å; E112-M305 HydrophobicContact CB-CG 4.33Å; E112-M305 HydrophobicContact CB-SD 3.86Å; E112-M305 HydrophobicContact CG-CB 4.41Å; E112-M305 HydrophobicContact CG-CG 4.39Å; E112-M305 HydrophobicContact CG-SD 4.41Å; S169-M305 VanDerWaalsContact CB-SD 3.53Å; S169-M305 PolarHBondContact O-N 3.46Å; I170-M305 VanDerWaalsContact O-CE 3.31Å; I170-M305 WeakPolarHBondContact O-CE 3.32Å; R171-M305 HydrophobicContact CB-CG 4.06Å; L173-M305 WeakPolarHBondContact O-CE 3.45Å; L175-M305 HydrophobicContact CD2-CE 4.22Å; L175-M305 HydrophobicContact CD2-SD 3.95Å; L175-M305 HydrophobicContact CG-SD 4.5Å; M305-I313 HydrophobicContact CB-CB 3.81Å; M305-I313 HydrophobicContact CB-CD1 4.42Å; M305-I313 HydrophobicContact CB-CG2 4.45Å; M305-I313 PolarHBondContact O-N 3.09Å; M305-I313 HydrophobicContact SD-CG2 4.36Å
306	W	98.8	Very high	98.2	Very high	102 Å²	102	47.2 Å²	47.2	39%	0.386	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	141.7	-179.7	-179.8	98.8	0	0	0	110.4	R171 F304 E308 G311 Y312	R171-W306 PolarHBondContact NH2-O 2.92Å; F304-W306 PolarHBondContact O-N 3.42Å; F304-W306 VanDerWaalsContact O-N 3.13Å; W306-E308 HydrophobicContact CH2-CB 4.3Å; W306-G311 VanDerWaalsContact CA-O 3.32Å; W306-G311 WeakPolarHBondContact CA-O 3.33Å; W306-Y312 HydrophobicContact CB-CD1 4.09Å; W306-Y312 HydrophobicContact CB-CE1 4.31Å; W306-Y312 AromaticContact CD1-CD1 3.83Å; W306-Y312 AromaticContact CD1-CD2 3.85Å; W306-Y312 AromaticContact CD1-CE1 3.96Å; W306-Y312 AromaticContact CD1-CE2 3.96Å; W306-Y312 AromaticContact CD1-CG 3.8Å; W306-Y312 HydrophobicContact CG-CD1 4.37Å; W306-Y312 HydrophobicContact CG-CE1 4.46Å
307	N	98.5	Very high	98.2	Very high	41 Å²	41	46 Å²	46	22%	0.219	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	163.4	166.8	67.6	45.6	0	0	0	111.5	R309 L310 G311	N307-R309 VanDerWaalsContact C-N 3.33Å; N307-R309 PolarHBondContact O-N 3.39Å; N307-R309 WeakPolarHBondContact OD1-CG 3.32Å; N307-R309 PolarHBondContact OD1-N 3.32Å; N307-L310 PolarHBondContact O-N 3.13Å; N307-L310 VanDerWaalsContact OD1-CB 3.3Å; N307-L310 WeakPolarHBondContact OD1-CB 3.41Å; N307-L310 PolarHBondContact OD1-N 3.24Å; N307-G311 PolarHBondContact N-O 2.89Å; N307-G311 VanDerWaalsContact O-CA 3.26Å; N307-G311 WeakPolarHBondContact O-CA 3.08Å; N307-G311 PolarHBondContact O-N 3.04Å
308	E	98	Very high	98.1	Very high	123 Å²	123	46.7 Å²	46.7	58%	0.575	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-34.9	-173.2	-172.6	-178.2	-171	0	0	113.5	T139 H140 W306	T139-E308 HydrophobicContact CG2-CG 3.73Å; H140-E308 PolarHBondContact N-O 2.76Å; W306-E308 HydrophobicContact CH2-CB 4.3Å
309	R	97.9	Very high	98.1	Very high	59 Å²	59	42.7 Å²	42.7	22%	0.223	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-30.5	-175.5	78.1	-177.7	174.8	98.2	-2.5	113.2	Y115 D123 Y133 N307	Y115-R309 PolarHBondContact O-NH2 2.75Å; D123-R309 IonicContact OD1-NH1 2.8Å; D123-R309 PolarHBondContact OD1-NH1 3.29Å; Y133-R309 WeakPolarHBondContact CE1-O 3.36Å; Y133-R309 PolarHBondContact OH-O 3Å; N307-R309 VanDerWaalsContact C-N 3.33Å; N307-R309 PolarHBondContact O-N 3.39Å; N307-R309 WeakPolarHBondContact OD1-CG 3.32Å; N307-R309 PolarHBondContact OD1-N 3.32Å
310	L	98.6	Very high	98.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-8.8	-175.1	-59.6	-169.7	0	0	0	113.8	Y115 I126 P135 N307 L320 G321 L375	Y115-L310 HydrophobicContact CD1-CD1 3.84Å; Y115-L310 HydrophobicContact CD2-CD1 4.46Å; Y115-L310 HydrophobicContact CG-CD1 3.77Å; I126-L310 HydrophobicContact CD1-CD2 3.98Å; P135-L310 HydrophobicContact CB-CD2 3.6Å; P135-L310 HydrophobicContact CG-CD2 4.44Å; N307-L310 PolarHBondContact O-N 3.13Å; N307-L310 VanDerWaalsContact OD1-CB 3.3Å; N307-L310 WeakPolarHBondContact OD1-CB 3.41Å; N307-L310 PolarHBondContact OD1-N 3.24Å; L310-L320 HydrophobicContact CB-CD2 4.38Å; L310-L320 HydrophobicContact CD1-CD1 4.18Å; L310-L320 HydrophobicContact CD1-CD2 4.33Å; L310-L320 HydrophobicContact CD2-CD1 4.25Å; L310-G321 WeakPolarHBondContact O-CA 3.41Å; L310-G321 PolarHBondContact O-N 3.21Å; L310-L375 WeakPolarHBondContact O-CD1 3.42Å
311	G	98.7	Very high	98.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.6	-141.3	-169	0	0	0	0	0	111.8	H140 W306 N307	H140-G311 VanDerWaalsContact CD2-CA 3.48Å; H140-G311 WeakPolarHBondContact CD2-CA 3.4Å; W306-G311 VanDerWaalsContact CA-O 3.32Å; W306-G311 WeakPolarHBondContact CA-O 3.33Å; N307-G311 PolarHBondContact N-O 2.89Å; N307-G311 VanDerWaalsContact O-CA 3.26Å; N307-G311 WeakPolarHBondContact O-CA 3.08Å; N307-G311 PolarHBondContact O-N 3.04Å
312	Y	98.8	Very high	98.4	Very high	13 Å²	13	27.5 Å²	27.5	5%	0.051	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	132.7	175.2	-69	-79.1	0	0	0	110.9	T142 R168 E294 F304 W306 G321	T142-Y312 HydrophobicContact CG2-CE2 4.07Å; R168-Y312 VanDerWaalsContact CD-CD1 3.47Å; R168-Y312 VanDerWaalsContact CZ-CD2 3.41Å; R168-Y312 VanDerWaalsContact CZ-CE2 3.43Å; R168-Y312 VanDerWaalsContact NH2-CD2 3.3Å; E294-Y312 PolarHBondContact OE1-OH 3.22Å; F304-Y312 HydrophobicContact CB-CD1 4.22Å; F304-Y312 HydrophobicContact CB-CE1 4.04Å; F304-Y312 HydrophobicContact CD2-CE1 4.12Å; F304-Y312 HydrophobicContact CG-CE1 4.49Å; W306-Y312 HydrophobicContact CB-CD1 4.09Å; W306-Y312 HydrophobicContact CB-CE1 4.31Å; W306-Y312 AromaticContact CD1-CD1 3.83Å; W306-Y312 AromaticContact CD1-CD2 3.85Å; W306-Y312 AromaticContact CD1-CE1 3.96Å; W306-Y312 AromaticContact CD1-CE2 3.96Å; W306-Y312 AromaticContact CD1-CG 3.8Å; W306-Y312 HydrophobicContact CG-CD1 4.37Å; W306-Y312 HydrophobicContact CG-CE1 4.46Å; Y312-G321 WeakPolarHBondContact CB-O 3.21Å; Y312-G321 PolarHBondContact N-O 3.19Å; Y312-G321 PolarHBondContact O-N 3.08Å
313	I	98.9	Very high	98.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.118	C	C	.	.			trans	-92.8	130.1	-177.6	-63.5	172.1	0	0	0	109.5	E112 Y115 S169 M305	E112-I313 HydrophobicContact CG-CD1 3.64Å; Y115-I313 HydrophobicContact CD2-CG2 3.63Å; Y115-I313 HydrophobicContact CE2-CG2 3.52Å; S169-I313 WeakPolarHBondContact CB-O 3.27Å; S169-I313 PolarHBondContact OG-O 3.18Å; M305-I313 HydrophobicContact CB-CB 3.81Å; M305-I313 HydrophobicContact CB-CD1 4.42Å; M305-I313 HydrophobicContact CB-CG2 4.45Å; M305-I313 PolarHBondContact O-N 3.09Å; M305-I313 HydrophobicContact SD-CG2 4.36Å
314	L	98.8	Very high	98.3	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.095	C	C	.	.			trans	-134	169.4	177.3	-67.2	179.6	0	0	0	110.1	Y115 G167 D266 C316 N319	Y115-L314 WeakPolarHBondContact CE2-O 3.01Å; Y115-L314 PolarHBondContact OH-O 3.04Å; G167-L314 VanDerWaalsContact C-CD2 3.49Å; D266-L314 HydrophobicContact CB-CD2 4.16Å; L314-C316 PolarHBondContact O-N 2.62Å; L314-N319 HydrophobicContact CB-CB 4.12Å; L314-N319 HydrophobicContact CD1-CB 3.78Å; L314-N319 WeakPolarHBondContact CD1-O 3.48Å
315	T	98.8	Very high	98.2	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	10%	0.096	C	C	.	.	S	Bend	trans	-59.7	-46.9	-172.9	-50.9	0	0	0	0	112.7	V108 A109 P176 P177 M240 E265 D266	V108-T315 WeakPolarHBondContact CA-O 3.36Å; V108-T315 HydrophobicContact CB-CG2 4.14Å; V108-T315 HydrophobicContact CG1-CG2 4.34Å; A109-T315 PolarHBondContact N-O 3.25Å; P176-T315 WeakPolarHBondContact CD-OG1 3.27Å; P177-T315 HydrophobicContact CG-CG2 3.35Å; M240-T315 HydrophobicContact CE-CG2 4.23Å; M240-T315 HydrophobicContact SD-CG2 4.29Å; E265-T315 PolarHBondContact O-OG1 2.93Å; D266-T315 VanDerWaalsContact OD1-CB 3.27Å; D266-T315 WeakPolarHBondContact OD1-CB 3.31Å; D266-T315 PolarHBondContact OD1-N 3.16Å; D266-T315 PolarHBondContact OD1-OG1 3.21Å
316	C	98.3	Very high	98.2	Very high	32 Å²	32	20.2 Å²	20.2	22%	0.216	10%	0.095	C	C	.	.	S	Bend	trans	-96.1	129.9	-178.4	-178	0	0	0	0	110.4	L314 S318 N319	L314-C316 PolarHBondContact O-N 2.62Å; C316-S318 PolarHBondContact O-N 3.3Å; C316-S318 PolarHBondContact SG-OG 3.28Å; C316-N319 PolarHBondContact O-N 2.67Å
317	P	98.3	Very high	98.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-54.5	-26.4	177.5	-28.5	34	0	0	0	114.2	V105 C107 Y115 F122 V125 I126 H130 N319 L320	V105-P317 HydrophobicContact CG1-CB 3.96Å; V105-P317 HydrophobicContact CG1-CG 3.83Å; C107-P317 VanDerWaalsContact O-CD 3.27Å; C107-P317 WeakPolarHBondContact O-CD 3.39Å; Y115-P317 HydrophobicContact CE1-CB 4.41Å; Y115-P317 HydrophobicContact CE1-CG 4.13Å; F122-P317 HydrophobicContact CD1-CG 3.75Å; F122-P317 HydrophobicContact CE1-CG 3.64Å; V125-P317 HydrophobicContact CG1-CB 4.5Å; I126-P317 HydrophobicContact CG1-CB 4.18Å; H130-P317 PolarHBondContact NE2-O 3.49Å; P317-N319 PolarHBondContact O-N 3.02Å; P317-L320 HydrophobicContact CB-CD1 4.42Å; P317-L320 WeakPolarHBondContact O-CG 3.25Å; P317-L320 PolarHBondContact O-N 2.81Å
318	S	95.8	Very high	98.1	Very high	16 Å²	16	13.8 Å²	13.8	11%	0.112	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-67.5	-15.3	176.8	72.3	0	0	0	0	114.6	H130 C316 R374	H130-S318 PolarHBondContact CE1-O 3.03Å; C316-S318 PolarHBondContact O-N 3.3Å; C316-S318 PolarHBondContact SG-OG 3.28Å; S318-R374 VanDerWaalsContact O-CD 3.27Å; S318-R374 WeakPolarHBondContact O-CD 3.22Å; S318-R374 PolarHBondContact O-NH1 3.43Å
319	N	97.9	Very high	98	Very high	16 Å²	16	10.5 Å²	10.5	9%	0.086	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-106.8	9.1	-178.8	-63.6	-30.6	0	0	0	113	R269 L314 C316 P317 G323	R269-N319 PolarHBondContact NH2-ND2 3.26Å; L314-N319 HydrophobicContact CB-CB 4.12Å; L314-N319 HydrophobicContact CD1-CB 3.78Å; L314-N319 WeakPolarHBondContact CD1-O 3.48Å; C316-N319 PolarHBondContact O-N 2.67Å; P317-N319 PolarHBondContact O-N 3.02Å; N319-G323 WeakPolarHBondContact O-CA 3.21Å; N319-G323 PolarHBondContact O-N 3.44Å
320	L	98.5	Very high	97.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.044	C	C	.	.			trans	-62.6	167	172.2	-66.9	173	0	0	0	112.5	Y115 I126 L310 P317 T322 R374 L375	Y115-L320 HydrophobicContact CD1-CD1 4.31Å; Y115-L320 HydrophobicContact CE1-CD1 3.71Å; Y115-L320 HydrophobicContact CE1-CD2 4.1Å; Y115-L320 HydrophobicContact CE1-CG 4.3Å; Y115-L320 HydrophobicContact CE2-CD2 4.07Å; I126-L320 HydrophobicContact CD1-CD1 3.49Å; I126-L320 VanDerWaalsContact CD1-CD1 3.49Å; I126-L320 HydrophobicContact CG1-CD1 3.74Å; L310-L320 HydrophobicContact CB-CD2 4.38Å; L310-L320 HydrophobicContact CD1-CD1 4.18Å; L310-L320 HydrophobicContact CD1-CD2 4.33Å; L310-L320 HydrophobicContact CD2-CD1 4.25Å; P317-L320 HydrophobicContact CB-CD1 4.42Å; P317-L320 WeakPolarHBondContact O-CG 3.25Å; P317-L320 PolarHBondContact O-N 2.81Å; L320-T322 PolarHBondContact O-N 3.4Å; L320-R374 CarbonylContact O-C 3.59Å; L320-L375 HydrophobicContact CB-CD1 4.4Å; L320-L375 HydrophobicContact CB-CD2 4.23Å
321	G	98.4	Very high	97.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	84.6	-109.5	176.3	0	0	0	0	0	110.2	H140 L310 Y312 G323	H140-G321 VanDerWaalsContact NE2-CA 3.31Å; H140-G321 WeakPolarHBondContact NE2-CA 3.37Å; L310-G321 WeakPolarHBondContact O-CA 3.41Å; L310-G321 PolarHBondContact O-N 3.21Å; Y312-G321 WeakPolarHBondContact CB-O 3.21Å; Y312-G321 PolarHBondContact N-O 3.19Å; Y312-G321 PolarHBondContact O-N 3.08Å; G321-G323 VanDerWaalsContact C-N 3.35Å
322	T	98.5	Very high	97.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-23.6	176.9	60.2	0	0	0	0	112.5	H140 T166 L320 L324 R374 K377 E379 L382	H140-T322 PolarHBondContact NE2-N 2.86Å; T166-T322 PolarHBondContact OG1-O 3.22Å; L320-T322 PolarHBondContact O-N 3.4Å; T322-L324 PolarHBondContact O-N 3.19Å; T322-L324 WeakPolarHBondContact OG1-CB 3.36Å; T322-L324 PolarHBondContact OG1-N 3.27Å; T322-R374 PolarHBondContact N-O 3.4Å; T322-R374 PolarHBondContact OG1-O 3.4Å; T322-K377 VanDerWaalsContact CG2-O 3.26Å; T322-K377 WeakPolarHBondContact CG2-O 3.5Å; T322-E379 HydrophobicContact CG2-CG 3.78Å; T322-L382 HydrophobicContact CG2-CD1 3.81Å; T322-L382 VanDerWaalsContact OG1-CD1 3.31Å; T322-L382 WeakPolarHBondContact OG1-CD1 3.16Å
323	G	97.4	Very high	97.5	Very high	6 Å²	6	13.7 Å²	13.7	6%	0.062	7%	0.069	C	C	.	.			trans	57.8	7.1	-162.6	0	0	0	0	0	114	T166 N319 G321	T166-G323 WeakPolarHBondContact CA-O 3.44Å; N319-G323 WeakPolarHBondContact O-CA 3.21Å; N319-G323 PolarHBondContact O-N 3.44Å; G321-G323 VanDerWaalsContact C-N 3.35Å
324	L	98.1	Very high	97.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.			trans	-81.8	134.9	-161.8	-174.8	147.1	0	0	0	111.1	V164 R165 F283 F286 T322 A326 N371 E379 L382 V383	V164-L324 HydrophobicContact CG1-CD1 3.91Å; V164-L324 HydrophobicContact CG1-CG 4.1Å; R165-L324 CarbonylContact O-C 3.54Å; R165-L324 VanDerWaalsContact O-CA 3.28Å; R165-L324 WeakPolarHBondContact O-CA 3.19Å; F283-L324 HydrophobicContact CE2-CD1 4.29Å; F286-L324 HydrophobicContact CE1-CD1 4.15Å; F286-L324 HydrophobicContact CZ-CD1 4.47Å; T322-L324 PolarHBondContact O-N 3.19Å; T322-L324 WeakPolarHBondContact OG1-CB 3.36Å; T322-L324 PolarHBondContact OG1-N 3.27Å; L324-A326 HydrophobicContact CD2-CB 3.76Å; L324-N371 PolarHBondContact O-ND2 3.06Å; L324-E379 HydrophobicContact CD1-CB 3.69Å; L324-E379 HydrophobicContact CD1-CG 3.73Å; L324-L382 HydrophobicContact CB-CD1 4.45Å; L324-L382 HydrophobicContact CD2-CB 4.08Å; L324-L382 HydrophobicContact CD2-CD1 4.46Å; L324-V383 HydrophobicContact CD1-CG2 4.12Å; L324-V383 HydrophobicContact CD2-CG2 4.12Å
325	R	97.6	Very high	97.3	Very high	15 Å²	15	16.7 Å²	16.7	6%	0.057	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	98.7	164.5	-157.5	-173.8	91.1	153.2	16.9	109	R165 R353 D368 N371	R165-R325 HydrophobicContact CG-CB 3.77Å; R165-R325 PolarHBondContact N-O 2.8Å; R165-R325 PolarHBondContact O-N 2.63Å; R325-R353 VanDerWaalsContact NH1-CD 3.26Å; R325-R353 VanDerWaalsContact NH1-CZ 3.32Å; R325-D368 IonicContact CZ-OD1 3.62Å; R325-D368 IonicContact CZ-OD2 2.7Å; R325-D368 IonicContact NH1-OD2 2.62Å; R325-D368 PolarHBondContact NH1-OD2 3.3Å; R325-D368 IonicContact NH2-OD1 3.83Å; R325-D368 PolarHBondContact NH2-OD1 2.87Å; R325-D368 IonicContact NH2-OD2 2.71Å; R325-D368 PolarHBondContact NH2-OD2 2.79Å; R325-N371 WeakPolarHBondContact CA-OD1 3.3Å
326	A	98.1	Very high	97.1	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	136	167.3	0	0	0	0	0	109.2	R163 V164 L324 S370 N371 V383 V386	R163-A326 CarbonylContact O-C 3.51Å; R163-A326 WeakPolarHBondContact O-CA 3.44Å; V164-A326 HydrophobicContact CG1-CB 4.46Å; V164-A326 HydrophobicContact CG2-CB 3.95Å; L324-A326 HydrophobicContact CD2-CB 3.76Å; A326-S370 WeakPolarHBondContact O-CA 3.29Å; A326-S370 WeakPolarHBondContact O-CB 3.33Å; A326-N371 PolarHBondContact N-OD1 2.97Å; A326-N371 PolarHBondContact O-N 3.29Å; A326-N371 PolarHBondContact O-OD1 3.19Å; A326-N371 VanDerWaalsContact O-OD1 3.07Å; A326-V383 HydrophobicContact CB-CG2 3.9Å; A326-V386 HydrophobicContact CB-CG2 4.16Å
327	G	97.2	Very high	96.9	Very high	5 Å²	5	23.8 Å²	23.8	5%	0.052	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	175	-179.1	0	0	0	0	0	113.8	R163 M279 I369	R163-G327 PolarHBondContact N-O 3.21Å; R163-G327 PolarHBondContact O-N 3.47Å; M279-G327 WeakPolarHBondContact CE-O 3.43Å; G327-I369 CarbonylContact C-O 3.56Å; G327-I369 WeakPolarHBondContact CA-O 3.3Å
328	V	97.2	Very high	96.9	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.3	-178.1	-65.5	0	0	0	0	110.4	F154 V159 S161 M279 V330 D368 I369 V390	F154-V328 HydrophobicContact CD2-CG1 3.82Å; F154-V328 HydrophobicContact CE2-CG1 3.46Å; F154-V328 VanDerWaalsContact CE2-CG1 3.46Å; F154-V328 HydrophobicContact CZ-CG1 4.33Å; V159-V328 HydrophobicContact CG1-CB 3.94Å; V159-V328 HydrophobicContact CG1-CG1 3.9Å; V159-V328 HydrophobicContact CG2-CB 4.44Å; V159-V328 HydrophobicContact CG2-CG2 4.45Å; S161-V328 WeakPolarHBondContact O-CA 3.15Å; S161-V328 WeakPolarHBondContact O-CB 3.36Å; M279-V328 HydrophobicContact CE-CG1 3.91Å; V328-V330 HydrophobicContact CG2-CB 3.99Å; V328-V330 HydrophobicContact CG2-CG1 4.15Å; V328-D368 WeakPolarHBondContact O-CA 3.14Å; V328-I369 HydrophobicContact CG2-CB 4.34Å; V328-I369 PolarHBondContact N-O 2.9Å; V328-I369 PolarHBondContact O-N 2.87Å; V328-V390 HydrophobicContact CG2-CB 4.5Å; V328-V390 HydrophobicContact CG2-CG1 3.93Å; V328-V390 HydrophobicContact CG2-CG2 3.69Å
329	H	95.5	Very high	96.9	Very high	54 Å²	54	30 Å²	30	25%	0.25	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	116.3	155.2	-72	176.9	0	0	0	108.2	V159 L160 S161 T355 T366 F367	V159-H329 CarbonylContact C-O 3.55Å; V159-H329 WeakPolarHBondContact CA-O 3.28Å; L160-H329 HydrophobicContact CB-CB 4.19Å; L160-H329 PolarHBondContact N-O 3.02Å; S161-H329 PolarHBondContact O-N 2.96Å; S161-H329 WeakPolarHBondContact OG-CB 3.24Å; H329-T355 PolarHBondContact CE1-O 2.92Å; H329-T366 HydrophobicContact CB-CG2 4.13Å; H329-F367 WeakPolarHBondContact CA-O 3.42Å
330	V	96.4	Very high	96.9	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.9	-176.7	63.4	0	0	0	0	111	Y158 V159 V328 L332 T366 F367 I369 I394	Y158-V330 WeakPolarHBondContact O-CA 3.4Å; V159-V330 HydrophobicContact CG2-CB 4.29Å; V159-V330 HydrophobicContact CG2-CG2 4.06Å; V328-V330 HydrophobicContact CG2-CB 3.99Å; V328-V330 HydrophobicContact CG2-CG1 4.15Å; V330-L332 HydrophobicContact CG1-CD1 3.84Å; V330-L332 HydrophobicContact CG1-CG 4.11Å; V330-L332 HydrophobicContact CG2-CD2 4.12Å; V330-L332 HydrophobicContact CG2-CG 4.1Å; V330-T366 WeakPolarHBondContact O-CA 3.37Å; V330-F367 PolarHBondContact N-O 3.3Å; V330-F367 PolarHBondContact O-N 3.27Å; V330-I369 HydrophobicContact CG1-CB 4.21Å; V330-I369 HydrophobicContact CG1-CG1 3.52Å; V330-I394 HydrophobicContact CG2-CG1 4.4Å
331	R	95.9	Very high	96.8	Very high	115 Å²	115	32.8 Å²	32.8	43%	0.434	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.9	174.9	-68.7	-174.6	60	-177.1	-4.2	110.7	Y158 L160 D365	Y158-R331 PolarHBondContact O-N 3.42Å; L160-R331 HydrophobicContact CD1-CG 4.05Å; L160-R331 HydrophobicContact CD2-CG 4.26Å; L160-R331 HydrophobicContact CG-CG 4.23Å; R331-D365 WeakPolarHBondContact CA-O 3.25Å
332	L	96.1	Very high	96.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.			trans	-136.9	61.6	-177.4	-63.5	173	0	0	0	111.4	V330 N334 L335 S336 F341 D365 F367 L393 E397	V330-L332 HydrophobicContact CG1-CD1 3.84Å; V330-L332 HydrophobicContact CG1-CG 4.11Å; V330-L332 HydrophobicContact CG2-CD2 4.12Å; V330-L332 HydrophobicContact CG2-CG 4.1Å; L332-N334 VanDerWaalsContact C-N 3.29Å; L332-N334 PolarHBondContact O-N 3.45Å; L332-L335 HydrophobicContact CB-CB 4.34Å; L332-L335 HydrophobicContact CD1-CD2 4.36Å; L332-L335 HydrophobicContact CD2-CD2 4.34Å; L332-S336 WeakPolarHBondContact O-CB 3.23Å; L332-S336 PolarHBondContact O-N 3.06Å; L332-S336 VanDerWaalsContact O-N 3.1Å; L332-S336 PolarHBondContact O-OG 3.26Å; L332-F341 HydrophobicContact CD1-CE2 4.24Å; L332-F341 HydrophobicContact CD1-CZ 4.02Å; L332-D365 PolarHBondContact N-O 3.48Å; L332-F367 HydrophobicContact CB-CD2 4.22Å; L332-F367 HydrophobicContact CB-CE2 4.41Å; L332-L393 HydrophobicContact CD1-CB 4.39Å; L332-L393 HydrophobicContact CD1-CD1 4.31Å; L332-L393 HydrophobicContact CD2-CB 4.39Å; L332-E397 WeakPolarHBondContact CA-OE2 3.32Å; L332-E397 HydrophobicContact CD2-CB 3.84Å; L332-E397 HydrophobicContact CD2-CG 4.15Å
333	P	95.7	Very high	96.5	Very high	24 Å²	24	41.2 Å²	41.2	16%	0.156	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-27	-172.8	24.2	-33.9	0	0	0	114.9	K337 D365 E397	P333-K337 WeakPolarHBondContact O-CD 3.45Å; P333-K337 WeakPolarHBondContact O-CE 3.36Å; P333-K337 PolarHBondContact O-NZ 3.09Å; P333-D365 HydrophobicContact CB-CB 3.83Å; P333-E397 WeakPolarHBondContact CD-OE1 3.34Å; P333-E397 VanDerWaalsContact CG-OE1 3.26Å; P333-E397 WeakPolarHBondContact CG-OE1 3.35Å
334	N	97.1	Very high	96.5	Very high	63 Å²	63	41 Å²	41	34%	0.337	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-49.3	179	-59.6	-69.9	0	0	0	111.2	L332 S336 K337 D338 E397 L400 E401	L332-N334 VanDerWaalsContact C-N 3.29Å; L332-N334 PolarHBondContact O-N 3.45Å; N334-S336 VanDerWaalsContact C-N 3.25Å; N334-S336 PolarHBondContact O-N 3.33Å; N334-K337 PolarHBondContact O-N 3.02Å; N334-K337 VanDerWaalsContact O-N 3.11Å; N334-D338 PolarHBondContact O-N 3.25Å; N334-E397 VanDerWaalsContact CB-OE1 3.26Å; N334-E397 WeakPolarHBondContact CB-OE1 3.47Å; N334-E397 PolarHBondContact N-OE1 3.4Å; N334-E397 PolarHBondContact N-OE2 3.24Å; N334-E397 PolarHBondContact ND2-OE1 3.41Å; N334-L400 HydrophobicContact CB-CB 3.69Å; N334-L400 HydrophobicContact CB-CD1 4.06Å; N334-E401 WeakPolarHBondContact ND2-CG 3.43Å
335	L	96.9	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-62.2	-34.1	-177.5	-178.4	61.1	0	0	0	112.1	L332 K337 D338 F341 I344 L393 C396 E397 L400 I406	L332-L335 HydrophobicContact CB-CB 4.34Å; L332-L335 HydrophobicContact CD1-CD2 4.36Å; L332-L335 HydrophobicContact CD2-CD2 4.34Å; L335-K337 PolarHBondContact O-N 2.93Å; L335-D338 HydrophobicContact CD1-CB 4.39Å; L335-D338 WeakPolarHBondContact O-CB 3.31Å; L335-D338 PolarHBondContact O-N 3.1Å; L335-D338 VanDerWaalsContact O-N 3.08Å; L335-F341 HydrophobicContact CD1-CD2 4.34Å; L335-F341 HydrophobicContact CD2-CD2 4Å; L335-F341 HydrophobicContact CD2-CE2 4.06Å; L335-F341 HydrophobicContact CG-CD2 3.77Å; L335-F341 HydrophobicContact CG-CE2 4.18Å; L335-F341 HydrophobicContact CG-CG 4.25Å; L335-F341 WeakPolarHBondContact O-CB 3.33Å; L335-I344 HydrophobicContact CD1-CD1 4.09Å; L335-L393 HydrophobicContact CD2-CB 4.15Å; L335-L393 HydrophobicContact CD2-CD2 3.76Å; L335-C396 HydrophobicContact CD1-CB 4.14Å; L335-C396 HydrophobicContact CD2-CB 3.98Å; L335-E397 VanDerWaalsContact CB-OE2 3.23Å; L335-E397 WeakPolarHBondContact CB-OE2 3.29Å; L335-E397 PolarHBondContact N-OE2 3.48Å; L335-L400 HydrophobicContact CB-CD1 4Å; L335-L400 HydrophobicContact CD1-CD1 4.12Å; L335-I406 HydrophobicContact CD1-CD1 3.5Å; L335-I406 VanDerWaalsContact CD1-CD1 3.5Å
336	S	94.1	Very high	96.2	Very high	30 Å²	30	44.2 Å²	44.2	21%	0.21	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-62.7	-22.5	178.4	60.7	0	0	0	0	114.8	L332 N334	L332-S336 WeakPolarHBondContact O-CB 3.23Å; L332-S336 PolarHBondContact O-N 3.06Å; L332-S336 VanDerWaalsContact O-N 3.1Å; L332-S336 PolarHBondContact O-OG 3.26Å; N334-S336 VanDerWaalsContact C-N 3.25Å; N334-S336 PolarHBondContact O-N 3.33Å
337	K	94.8	Very high	96.1	Very high	152 Å²	152	44.8 Å²	44.8	66%	0.661	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-92.3	-14.1	177.9	-61.4	168.1	-172.8	146.9	0	112.3	P333 N334 L335	P333-K337 WeakPolarHBondContact O-CD 3.45Å; P333-K337 WeakPolarHBondContact O-CE 3.36Å; P333-K337 PolarHBondContact O-NZ 3.09Å; N334-K337 PolarHBondContact O-N 3.02Å; N334-K337 VanDerWaalsContact O-N 3.11Å; L335-K337 PolarHBondContact O-N 2.93Å
338	D	96.8	Very high	96.1	Very high	22 Å²	22	45.5 Å²	45.5	12%	0.118	23%	0.231	C	C	.	.	S	Bend	trans	-74	129.4	179.9	-168	-61.8	0	0	0	110.4	N334 L335 R340 F341	N334-D338 PolarHBondContact O-N 3.25Å; L335-D338 HydrophobicContact CD1-CB 4.39Å; L335-D338 WeakPolarHBondContact O-CB 3.31Å; L335-D338 PolarHBondContact O-N 3.1Å; L335-D338 VanDerWaalsContact O-N 3.08Å; D338-R340 PolarHBondContact O-N 2.86Å; D338-R340 VanDerWaalsContact O-N 3.07Å; D338-R340 WeakPolarHBondContact OD1-CB 3.47Å; D338-R340 VanDerWaalsContact OD1-CG 3.31Å; D338-R340 WeakPolarHBondContact OD1-CG 3.49Å; D338-R340 IonicContact OD1-CZ 3.83Å; D338-R340 PolarHBondContact OD1-N 3.19Å; D338-R340 IonicContact OD1-NE 3.4Å; D338-R340 PolarHBondContact OD1-NE 2.91Å; D338-R340 IonicContact OD1-NH2 3.41Å; D338-R340 IonicContact OD2-CZ 3.11Å; D338-R340 IonicContact OD2-NE 2.74Å; D338-R340 PolarHBondContact OD2-NE 2.81Å; D338-R340 IonicContact OD2-NH2 3.81Å; D338-R340 PolarHBondContact OD2-NH2 3.32Å; D338-F341 WeakPolarHBondContact O-CB 3.24Å; D338-F341 PolarHBondContact O-N 3.08Å
339	P	96.8	Very high	95.9	Very high	125 Å²	125	47 Å²	47	81%	0.812	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.5	-178.7	26.3	-35.9	0	0	0	113.3	F341	P339-F341 VanDerWaalsContact C-N 3.32Å
340	R	97.6	Very high	95.9	Very high	71 Å²	71	44.6 Å²	44.6	27%	0.268	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.5	179.2	-59.6	170.1	-74.2	-165.3	-6.2	112.9	D338 S342 K343 I344 D405 I406 V408	D338-R340 PolarHBondContact O-N 2.86Å; D338-R340 VanDerWaalsContact O-N 3.07Å; D338-R340 WeakPolarHBondContact OD1-CB 3.47Å; D338-R340 VanDerWaalsContact OD1-CG 3.31Å; D338-R340 WeakPolarHBondContact OD1-CG 3.49Å; D338-R340 IonicContact OD1-CZ 3.83Å; D338-R340 PolarHBondContact OD1-N 3.19Å; D338-R340 IonicContact OD1-NE 3.4Å; D338-R340 PolarHBondContact OD1-NE 2.91Å; D338-R340 IonicContact OD1-NH2 3.41Å; D338-R340 IonicContact OD2-CZ 3.11Å; D338-R340 IonicContact OD2-NE 2.74Å; D338-R340 PolarHBondContact OD2-NE 2.81Å; D338-R340 IonicContact OD2-NH2 3.81Å; D338-R340 PolarHBondContact OD2-NH2 3.32Å; R340-S342 PolarHBondContact O-N 3.07Å; R340-K343 PolarHBondContact O-N 3.37Å; R340-I344 HydrophobicContact CB-CD1 4.18Å; R340-I344 WeakPolarHBondContact O-CG1 3.18Å; R340-I344 PolarHBondContact O-N 3.09Å; R340-D405 IonicContact CZ-OD1 3.41Å; R340-D405 IonicContact NH1-OD1 3.15Å; R340-D405 PolarHBondContact NH1-OD1 3.04Å; R340-D405 IonicContact NH1-OD2 3.54Å; R340-D405 IonicContact NH2-OD1 2.78Å; R340-D405 PolarHBondContact NH2-OD1 3.12Å; R340-D405 VanDerWaalsContact NH2-OD1 3.11Å; R340-I406 VanDerWaalsContact CZ-CG1 3.47Å; R340-I406 PolarHBondContact NH1-O 2.84Å; R340-I406 VanDerWaalsContact NH2-CG1 3.31Å; R340-V408 HydrophobicContact CB-CG2 3.97Å; R340-V408 HydrophobicContact CG-CG2 4.17Å
341	F	96.4	Very high	95.7	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-57.3	-44.7	-171.9	-178	-146.9	0	0	0	113.4	L332 L335 D338 P339 K343 I344 L345 K352 I369 L393	L332-F341 HydrophobicContact CD1-CE2 4.24Å; L332-F341 HydrophobicContact CD1-CZ 4.02Å; L335-F341 HydrophobicContact CD1-CD2 4.34Å; L335-F341 HydrophobicContact CD2-CD2 4Å; L335-F341 HydrophobicContact CD2-CE2 4.06Å; L335-F341 HydrophobicContact CG-CD2 3.77Å; L335-F341 HydrophobicContact CG-CE2 4.18Å; L335-F341 HydrophobicContact CG-CG 4.25Å; L335-F341 WeakPolarHBondContact O-CB 3.33Å; D338-F341 WeakPolarHBondContact O-CB 3.24Å; D338-F341 PolarHBondContact O-N 3.08Å; P339-F341 VanDerWaalsContact C-N 3.32Å; F341-K343 VanDerWaalsContact C-N 3.29Å; F341-K343 PolarHBondContact O-N 2.97Å; F341-I344 PolarHBondContact O-N 3.32Å; F341-L345 HydrophobicContact CD2-CD1 4.13Å; F341-L345 HydrophobicContact CD2-CG 3.99Å; F341-L345 HydrophobicContact CE1-CD1 4.17Å; F341-L345 HydrophobicContact CE2-CD1 3.72Å; F341-L345 HydrophobicContact CE2-CD2 3.81Å; F341-L345 HydrophobicContact CE2-CG 3.67Å; F341-L345 HydrophobicContact CZ-CD1 3.75Å; F341-L345 HydrophobicContact CZ-CD2 4.32Å; F341-L345 HydrophobicContact CZ-CG 4.22Å; F341-L345 WeakPolarHBondContact O-CG 3.25Å; F341-L345 PolarHBondContact O-N 3.24Å; F341-K352 HydrophobicContact CD1-CD 4.45Å; F341-K352 HydrophobicContact CE1-CD 3.81Å; F341-K352 HydrophobicContact CZ-CD 4.38Å; F341-I369 HydrophobicContact CZ-CD1 4.35Å; F341-L393 HydrophobicContact CE2-CD2 4.13Å
342	S	94.4	Very high	95.4	Very high	69 Å²	69	45.1 Å²	45.1	48%	0.483	23%	0.231	S	C	.	.	H	α-helix	trans	-58.8	-43.7	177.1	-165	0	0	0	0	111.3	R340 I344 L345 D346	R340-S342 PolarHBondContact O-N 3.07Å; S342-I344 PolarHBondContact O-N 3.08Å; S342-L345 PolarHBondContact O-N 2.79Å; S342-D346 PolarHBondContact O-N 3.39Å
343	K	96.4	Very high	94.8	Very high	108 Å²	108	47.4 Å²	47.4	47%	0.47	24%	0.24	S	C	.	.	H	α-helix	trans	-69.6	-34.6	-178.7	-171	62.9	-174.8	167.2	0	112.4	R340 F341 N347 V408	R340-K343 PolarHBondContact O-N 3.37Å; F341-K343 VanDerWaalsContact C-N 3.29Å; F341-K343 PolarHBondContact O-N 2.97Å; K343-N347 VanDerWaalsContact CE-OD1 3.27Å; K343-N347 WeakPolarHBondContact CE-OD1 3.29Å; K343-N347 PolarHBondContact NZ-OD1 2.76Å; K343-N347 WeakPolarHBondContact O-CB 3.33Å; K343-N347 VanDerWaalsContact O-CG 3.32Å; K343-N347 PolarHBondContact O-N 3.11Å; K343-V408 HydrophobicContact CB-CG1 4.45Å; K343-V408 HydrophobicContact CG-CG1 3.81Å
344	I	98.1	Very high	93.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-49.7	172.8	-68.2	166.2	0	0	0	109.9	L335 R340 F341 S342 D346 N347 L348 Y392 L393 I406 V408 P409	L335-I344 HydrophobicContact CD1-CD1 4.09Å; R340-I344 HydrophobicContact CB-CD1 4.18Å; R340-I344 WeakPolarHBondContact O-CG1 3.18Å; R340-I344 PolarHBondContact O-N 3.09Å; F341-I344 PolarHBondContact O-N 3.32Å; S342-I344 PolarHBondContact O-N 3.08Å; I344-D346 PolarHBondContact O-N 3.16Å; I344-N347 PolarHBondContact O-N 2.57Å; I344-L348 HydrophobicContact CG2-CD1 3.69Å; I344-L348 HydrophobicContact CG2-CG 4.41Å; I344-L348 WeakPolarHBondContact O-CB 3.15Å; I344-L348 VanDerWaalsContact O-CG 3.27Å; I344-L348 WeakPolarHBondContact O-CG 3.37Å; I344-L348 PolarHBondContact O-N 2.94Å; I344-Y392 HydrophobicContact CG2-CD1 4.16Å; I344-Y392 HydrophobicContact CG2-CE1 3.98Å; I344-L393 HydrophobicContact CG2-CD2 3.69Å; I344-I406 HydrophobicContact CD1-CD1 3.9Å; I344-V408 HydrophobicContact CG1-CG1 4.44Å; I344-V408 HydrophobicContact CG1-CG2 4.24Å; I344-P409 HydrophobicContact CG2-CG 4.32Å
345	L	96.1	Very high	92.5	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-59.3	-46.2	177.5	-68.9	174.6	0	0	0	111.9	F341 S342 N347 L348 R349 L350 K352 I369 L393	F341-L345 HydrophobicContact CD2-CD1 4.13Å; F341-L345 HydrophobicContact CD2-CG 3.99Å; F341-L345 HydrophobicContact CE1-CD1 4.17Å; F341-L345 HydrophobicContact CE2-CD1 3.72Å; F341-L345 HydrophobicContact CE2-CD2 3.81Å; F341-L345 HydrophobicContact CE2-CG 3.67Å; F341-L345 HydrophobicContact CZ-CD1 3.75Å; F341-L345 HydrophobicContact CZ-CD2 4.32Å; F341-L345 HydrophobicContact CZ-CG 4.22Å; F341-L345 WeakPolarHBondContact O-CG 3.25Å; F341-L345 PolarHBondContact O-N 3.24Å; S342-L345 PolarHBondContact O-N 2.79Å; L345-N347 PolarHBondContact O-N 2.96Å; L345-L348 CarbonylContact O-C 3.51Å; L345-L348 PolarHBondContact O-N 3.35Å; L345-R349 PolarHBondContact O-N 3.39Å; L345-L350 HydrophobicContact CD2-CB 3.79Å; L345-L350 HydrophobicContact CD2-CD1 4.38Å; L345-L350 PolarHBondContact O-N 3.02Å; L345-K352 HydrophobicContact CD1-CB 3.9Å; L345-K352 HydrophobicContact CD1-CD 3.84Å; L345-K352 HydrophobicContact CD1-CG 3.83Å; L345-I369 HydrophobicContact CD2-CD1 4.11Å; L345-L393 HydrophobicContact CD2-CD1 3.99Å; L345-L393 HydrophobicContact CD2-CD2 4.34Å
346	D	93.4	Very high	90.9	Very high	76 Å²	76	48.2 Å²	48.2	41%	0.406	26%	0.26	S	S	.	.	H	α-helix	trans	-58.3	-46.7	178.8	-69.6	-24.1	0	0	0	111.9	S342 I344 R349	S342-D346 PolarHBondContact O-N 3.39Å; I344-D346 PolarHBondContact O-N 3.16Å; D346-R349 PolarHBondContact O-N 3.47Å
347	N	95.7	Very high	89.4	Confident	13 Å²	13	47.6 Å²	47.6	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-69.6	-33.7	-178.6	-74.9	7.2	0	0	0	112	K343 I344 L345 R349 V408 P409 P411 L412	K343-N347 VanDerWaalsContact CE-OD1 3.27Å; K343-N347 WeakPolarHBondContact CE-OD1 3.29Å; K343-N347 PolarHBondContact NZ-OD1 2.76Å; K343-N347 WeakPolarHBondContact O-CB 3.33Å; K343-N347 VanDerWaalsContact O-CG 3.32Å; K343-N347 PolarHBondContact O-N 3.11Å; I344-N347 PolarHBondContact O-N 2.57Å; L345-N347 PolarHBondContact O-N 2.96Å; N347-R349 VanDerWaalsContact C-N 3.29Å; N347-V408 WeakPolarHBondContact ND2-CG1 3.47Å; N347-P409 HydrophobicContact CB-CG 4.37Å; N347-P409 WeakPolarHBondContact CB-O 3.25Å; N347-P409 PolarHBondContact ND2-O 3.29Å; N347-P411 HydrophobicContact CB-CB 4.48Å; N347-L412 WeakPolarHBondContact O-CG 3.39Å; N347-L412 PolarHBondContact O-N 3.4Å
348	L	96.2	Very high	87.7	Confident	19 Å²	19	42.6 Å²	42.6	10%	0.099	24%	0.241	C	C	.	.	H	α-helix	trans	-81.4	-3.7	174.8	-66.7	175.7	0	0	0	113.8	I344 L345 L350 L385 Y392 L393 P409 L412	I344-L348 HydrophobicContact CG2-CD1 3.69Å; I344-L348 HydrophobicContact CG2-CG 4.41Å; I344-L348 WeakPolarHBondContact O-CB 3.15Å; I344-L348 VanDerWaalsContact O-CG 3.27Å; I344-L348 WeakPolarHBondContact O-CG 3.37Å; I344-L348 PolarHBondContact O-N 2.94Å; L345-L348 CarbonylContact O-C 3.51Å; L345-L348 PolarHBondContact O-N 3.35Å; L348-L350 VanDerWaalsContact C-N 3.27Å; L348-L350 HydrophobicContact CB-CD1 4.14Å; L348-L350 HydrophobicContact CB-CG 4.08Å; L348-L350 HydrophobicContact CD1-CD1 4.36Å; L348-L350 PolarHBondContact O-N 2.99Å; L348-L385 VanDerWaalsContact O-CD2 3.32Å; L348-L385 WeakPolarHBondContact O-CD2 3.43Å; L348-Y392 HydrophobicContact CD1-CD1 3.79Å; L348-Y392 HydrophobicContact CD1-CG 4.35Å; L348-L393 HydrophobicContact CD1-CD2 4.21Å; L348-P409 HydrophobicContact CD1-CG 4.31Å; L348-P409 HydrophobicContact CD2-CB 4.18Å; L348-P409 HydrophobicContact CD2-CG 3.78Å; L348-P409 HydrophobicContact CG-CG 3.78Å; L348-L412 WeakPolarHBondContact O-CD1 3.43Å
349	R	93.9	Very high	85.7	Confident	35 Å²	35	45.6 Å²	45.6	13%	0.132	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	38.4	-176.1	-53.6	-59.5	-57.8	164.8	-4.9	113.2	N131 L345 D346 N347 L372 D373 L385 L412 M414	N131-R349 PolarHBondContact ND2-NH1 3.17Å; N131-R349 PolarHBondContact ND2-NH2 3.36Å; L345-R349 PolarHBondContact O-N 3.39Å; D346-R349 PolarHBondContact O-N 3.47Å; N347-R349 VanDerWaalsContact C-N 3.29Å; R349-L372 WeakPolarHBondContact O-CB 3.02Å; R349-L372 PolarHBondContact O-N 3.23Å; R349-D373 WeakPolarHBondContact CB-OD2 3.25Å; R349-D373 IonicContact CZ-OD1 2.66Å; R349-D373 IonicContact CZ-OD2 2.66Å; R349-D373 IonicContact NE-OD1 2.86Å; R349-D373 IonicContact NE-OD2 3.88Å; R349-D373 PolarHBondContact NE-OD2 3.06Å; R349-D373 IonicContact NH2-OD1 3.45Å; R349-D373 PolarHBondContact NH2-OD1 3.38Å; R349-D373 IonicContact NH2-OD2 2.89Å; R349-L385 HydrophobicContact CB-CD1 4.14Å; R349-L385 HydrophobicContact CB-CD2 4.37Å; R349-L412 HydrophobicContact CB-CD1 4.42Å; R349-L412 HydrophobicContact CG-CB 4.09Å; R349-L412 HydrophobicContact CG-CD1 4.06Å; R349-M414 VanDerWaalsContact CD-SD 3.53Å; R349-M414 HydrophobicContact CG-SD 3.83Å; R349-M414 PolarHBondContact NE-SD 3.02Å
350	L	95.1	Very high	83.9	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	154	174.1	-62.4	177.9	0	0	0	110.4	L345 L348 I369 S370 L385 V386 L393	L345-L350 HydrophobicContact CD2-CB 3.79Å; L345-L350 HydrophobicContact CD2-CD1 4.38Å; L345-L350 PolarHBondContact O-N 3.02Å; L348-L350 VanDerWaalsContact C-N 3.27Å; L348-L350 HydrophobicContact CB-CD1 4.14Å; L348-L350 HydrophobicContact CB-CG 4.08Å; L348-L350 HydrophobicContact CD1-CD1 4.36Å; L348-L350 PolarHBondContact O-N 2.99Å; L350-I369 HydrophobicContact CB-CG2 4.17Å; L350-I369 HydrophobicContact CD1-CG2 3.82Å; L350-I369 HydrophobicContact CD2-CG2 4.43Å; L350-I369 HydrophobicContact CG-CG2 4.38Å; L350-S370 CarbonylContact C-O 3.42Å; L350-S370 VanDerWaalsContact CA-O 3.3Å; L350-S370 WeakPolarHBondContact CA-O 3.49Å; L350-L385 HydrophobicContact CD2-CD2 3.9Å; L350-V386 HydrophobicContact CD2-CG2 4.2Å; L350-L393 HydrophobicContact CD1-CD1 4.06Å
351	Q	91.4	Very high	82.1	Confident	23 Å²	23	42.8 Å²	42.8	11%	0.107	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.9	171.1	64.1	177.2	14.2	0	0	109.5	I369 S370 L372	Q351-I369 WeakPolarHBondContact O-CA 3.47Å; Q351-S370 WeakPolarHBondContact CG-OG 3.44Å; Q351-S370 PolarHBondContact N-O 2.95Å; Q351-S370 PolarHBondContact NE2-OG 2.66Å; Q351-S370 PolarHBondContact O-N 3.07Å; Q351-S370 VanDerWaalsContact O-N 3.08Å; Q351-L372 HydrophobicContact CB-CD1 4.15Å
352	K	89.9	Confident	80.4	Confident	104 Å²	104	44.5 Å²	44.5	45%	0.452	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143.6	171.8	66.4	173.9	-176.7	167.4	0	111.3	F341 L345 F367 D368 I369	F341-K352 HydrophobicContact CD1-CD 4.45Å; F341-K352 HydrophobicContact CE1-CD 3.81Å; F341-K352 HydrophobicContact CZ-CD 4.38Å; L345-K352 HydrophobicContact CD1-CB 3.9Å; L345-K352 HydrophobicContact CD1-CD 3.84Å; L345-K352 HydrophobicContact CD1-CG 3.83Å; K352-F367 HydrophobicContact CD-CD1 4.4Å; K352-D368 CarbonylContact C-O 3.49Å; K352-D368 WeakPolarHBondContact CA-O 3.17Å; K352-I369 HydrophobicContact CB-CD1 3.56Å
353	R	84.5	Confident	78.9	Confident	48 Å²	48	45.9 Å²	45.9	18%	0.181	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	167	170.3	-65.7	179	-175.6	-161	-5.4	110	R325 D368	R325-R353 VanDerWaalsContact NH1-CD 3.26Å; R325-R353 VanDerWaalsContact NH1-CZ 3.32Å; R353-D368 HydrophobicContact CB-CB 4.17Å; R353-D368 PolarHBondContact N-O 2.97Å; R353-D368 PolarHBondContact O-N 3.42Å
354	G	74.7	Confident	77.8	Confident	6 Å²	6	43.6 Å²	43.6	6%	0.062	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-68.5	166.4	169.8	0	0	0	0	0	112.3	G356 G357 T360	G354-G356 PolarHBondContact O-N 2.92Å; G354-G357 PolarHBondContact O-N 3.38Å; G354-T360 VanDerWaalsContact CA-O 3.27Å; G354-T360 WeakPolarHBondContact CA-O 3.31Å; G354-T360 PolarHBondContact N-O 3.45Å
355	T	69.8	Low	77.2	Confident	34 Å²	34	46.3 Å²	46.3	21%	0.209	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-23.6	-168.8	-28.9	0	0	0	0	113.6	H329 T363 T366	H329-T355 PolarHBondContact CE1-O 2.92Å; T355-T363 WeakPolarHBondContact CB-OG1 3.48Å; T355-T363 PolarHBondContact OG1-N 3.02Å; T355-T363 PolarHBondContact OG1-OG1 2.95Å; T355-T366 HydrophobicContact CG2-CG2 4.02Å
356	G	63.4	Low	76.9	Confident	63 Å²	63	47 Å²	47	65%	0.649	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	8.4	176.3	0	0	0	0	0	114.4	G354 T360	G354-G356 PolarHBondContact O-N 2.92Å; G356-T360 VanDerWaalsContact CA-OG1 3.22Å; G356-T360 WeakPolarHBondContact CA-OG1 3.41Å; G356-T360 PolarHBondContact N-OG1 2.9Å
357	G	62.5	Low	76.8	Confident	18 Å²	18	44.3 Å²	44.3	19%	0.186	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	108.1	-157.6	179.1	0	0	0	0	0	114.5	G354 D359 T360	G354-G357 PolarHBondContact O-N 3.38Å; G357-D359 VanDerWaalsContact C-N 3.32Å; G357-D359 PolarHBondContact O-N 3.07Å; G357-T360 PolarHBondContact N-OG1 3.01Å; G357-T360 VanDerWaalsContact N-OG1 3.1Å; G357-T360 PolarHBondContact O-N 3.32Å; G357-T360 PolarHBondContact O-OG1 2.66Å; G357-T360 VanDerWaalsContact O-OG1 3.07Å
358	V	57.8	Low	76.7	Confident	47 Å²	47	44 Å²	44	29%	0.285	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-27.6	-163.5	70.4	0	0	0	0	114.8	I102	I102-V358 HydrophobicContact CD1-CG2 4.15Å
359	D	56	Low	76.7	Confident	85 Å²	85	43.1 Å²	43.1	46%	0.455	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	8	-175.9	-60.3	-36.7	0	0	0	112.8	H99 G357	H99-D359 IonicContact CE1-OD1 3.91Å; H99-D359 IonicContact NE2-OD1 2.77Å; H99-D359 PolarHBondContact NE2-OD1 2.95Å; G357-D359 VanDerWaalsContact C-N 3.32Å; G357-D359 PolarHBondContact O-N 3.07Å
360	T	57.8	Low	76.8	Confident	57 Å²	57	41.4 Å²	41.4	35%	0.35	27%	0.272	S	S	.	.	S	Bend	trans	-110.1	145	-178.3	66.6	0	0	0	0	111.4	G354 G356 G357	G354-T360 VanDerWaalsContact CA-O 3.27Å; G354-T360 WeakPolarHBondContact CA-O 3.31Å; G354-T360 PolarHBondContact N-O 3.45Å; G356-T360 VanDerWaalsContact CA-OG1 3.22Å; G356-T360 WeakPolarHBondContact CA-OG1 3.41Å; G356-T360 PolarHBondContact N-OG1 2.9Å; G357-T360 PolarHBondContact N-OG1 3.01Å; G357-T360 VanDerWaalsContact N-OG1 3.1Å; G357-T360 PolarHBondContact O-N 3.32Å; G357-T360 PolarHBondContact O-OG1 2.66Å; G357-T360 VanDerWaalsContact O-OG1 3.07Å
361	A	61.1	Low	76.9	Confident	79 Å²	79	41.3 Å²	41.3	65%	0.653	27%	0.272	S	S	*	.			trans	-70	154.6	167.1	0	0	0	0	0	110.3	T363	A361-T363 PolarHBondContact O-N 3.41Å
362	A	60.9	Low	76.8	Confident	41 Å²	41	42 Å²	42	34%	0.339	28%	0.276	S	S	.	.			trans	-63.8	132.5	169.5	0	0	0	0	0	109.5	F367	A362-F367 HydrophobicContact CB-CD1 4.05Å; A362-F367 HydrophobicContact CB-CE1 3.77Å; A362-F367 HydrophobicContact CB-CZ 4.45Å
363	T	61.1	Low	76.9	Confident	98 Å²	98	37.2 Å²	37.2	60%	0.601	26%	0.255	S	S	*	.			trans	-90.4	105.8	172.3	50.4	0	0	0	0	109	T355 A361 D365	T355-T363 WeakPolarHBondContact CB-OG1 3.48Å; T355-T363 PolarHBondContact OG1-N 3.02Å; T355-T363 PolarHBondContact OG1-OG1 2.95Å; A361-T363 PolarHBondContact O-N 3.41Å; T363-D365 PolarHBondContact O-N 3.42Å
364	G	74.7	Confident	77.4	Confident	60 Å²	60	35 Å²	35	62%	0.619	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	-127.8	-179	0	0	0	0	0	112.5
365	D	85.6	Confident	78.4	Confident	57 Å²	57	34.9 Å²	34.9	31%	0.305	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	10.7	-171.6	-55.9	-45.4	0	0	0	114	R331 L332 P333 T363	R331-D365 WeakPolarHBondContact CA-O 3.25Å; L332-D365 PolarHBondContact N-O 3.48Å; P333-D365 HydrophobicContact CB-CB 3.83Å; T363-D365 PolarHBondContact O-N 3.42Å
366	T	90.2	Very high	79.6	Confident	21 Å²	21	34 Å²	34	13%	0.129	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.9	-177.3	-54.3	0	0	0	0	111.1	L160 H329 V330 T355	L160-T366 HydrophobicContact CD1-CG2 3.84Å; H329-T366 HydrophobicContact CB-CG2 4.13Å; V330-T366 WeakPolarHBondContact O-CA 3.37Å; T355-T366 HydrophobicContact CG2-CG2 4.02Å
367	F	91.3	Very high	81.2	Confident	19 Å²	19	32.4 Å²	32.4	8%	0.083	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141.9	-179.5	-60.5	-87.6	0	0	0	111.5	H329 V330 L332 K352 A362 I369	H329-F367 WeakPolarHBondContact CA-O 3.42Å; V330-F367 PolarHBondContact N-O 3.3Å; V330-F367 PolarHBondContact O-N 3.27Å; L332-F367 HydrophobicContact CB-CD2 4.22Å; L332-F367 HydrophobicContact CB-CE2 4.41Å; K352-F367 HydrophobicContact CD-CD1 4.4Å; A362-F367 HydrophobicContact CB-CD1 4.05Å; A362-F367 HydrophobicContact CB-CE1 3.77Å; A362-F367 HydrophobicContact CB-CZ 4.45Å; F367-I369 HydrophobicContact CB-CD1 3.93Å; F367-I369 HydrophobicContact CB-CG1 4.11Å; F367-I369 PolarHBondContact O-N 3.37Å
368	D	92.8	Very high	82.9	Confident	7 Å²	7	31.8 Å²	31.8	4%	0.037	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	103.3	163.5	167.8	21.3	0	0	0	108.5	R325 V328 K352 R353	R325-D368 IonicContact CZ-OD1 3.62Å; R325-D368 IonicContact CZ-OD2 2.7Å; R325-D368 IonicContact NH1-OD2 2.62Å; R325-D368 PolarHBondContact NH1-OD2 3.3Å; R325-D368 IonicContact NH2-OD1 3.83Å; R325-D368 PolarHBondContact NH2-OD1 2.87Å; R325-D368 IonicContact NH2-OD2 2.71Å; R325-D368 PolarHBondContact NH2-OD2 2.79Å; V328-D368 WeakPolarHBondContact O-CA 3.14Å; K352-D368 CarbonylContact C-O 3.49Å; K352-D368 WeakPolarHBondContact CA-O 3.17Å; R353-D368 HydrophobicContact CB-CB 4.17Å; R353-D368 PolarHBondContact N-O 2.97Å; R353-D368 PolarHBondContact O-N 3.42Å
369	I	95.9	Very high	84.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.1	178.6	-59.5	-58.9	0	0	0	109.3	G327 V328 V330 F341 L345 L350 Q351 K352 F367 V390 L393	G327-I369 CarbonylContact C-O 3.56Å; G327-I369 WeakPolarHBondContact CA-O 3.3Å; V328-I369 HydrophobicContact CG2-CB 4.34Å; V328-I369 PolarHBondContact N-O 2.9Å; V328-I369 PolarHBondContact O-N 2.87Å; V330-I369 HydrophobicContact CG1-CB 4.21Å; V330-I369 HydrophobicContact CG1-CG1 3.52Å; F341-I369 HydrophobicContact CZ-CD1 4.35Å; L345-I369 HydrophobicContact CD2-CD1 4.11Å; L350-I369 HydrophobicContact CB-CG2 4.17Å; L350-I369 HydrophobicContact CD1-CG2 3.82Å; L350-I369 HydrophobicContact CD2-CG2 4.43Å; L350-I369 HydrophobicContact CG-CG2 4.38Å; Q351-I369 WeakPolarHBondContact O-CA 3.47Å; K352-I369 HydrophobicContact CB-CD1 3.56Å; F367-I369 HydrophobicContact CB-CD1 3.93Å; F367-I369 HydrophobicContact CB-CG1 4.11Å; F367-I369 PolarHBondContact O-N 3.37Å; I369-V390 HydrophobicContact CG2-CG2 4.28Å; I369-L393 HydrophobicContact CG1-CD1 4.31Å; I369-L393 HydrophobicContact CG2-CD1 3.96Å
370	S	96.9	Very high	86.8	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	166.2	-179.4	51	0	0	0	0	113.4	A326 L350 Q351	A326-S370 WeakPolarHBondContact O-CA 3.29Å; A326-S370 WeakPolarHBondContact O-CB 3.33Å; L350-S370 CarbonylContact C-O 3.42Å; L350-S370 VanDerWaalsContact CA-O 3.3Å; L350-S370 WeakPolarHBondContact CA-O 3.49Å; Q351-S370 WeakPolarHBondContact CG-OG 3.44Å; Q351-S370 PolarHBondContact N-O 2.95Å; Q351-S370 PolarHBondContact NE2-OG 2.66Å; Q351-S370 PolarHBondContact O-N 3.07Å; Q351-S370 VanDerWaalsContact O-N 3.08Å
371	N	95.9	Very high	88.7	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	138.5	170.3	59.6	-66	0	0	0	111.6	L324 R325 A326 D373 V386	L324-N371 PolarHBondContact O-ND2 3.06Å; R325-N371 WeakPolarHBondContact CA-OD1 3.3Å; A326-N371 PolarHBondContact N-OD1 2.97Å; A326-N371 PolarHBondContact O-N 3.29Å; A326-N371 PolarHBondContact O-OD1 3.19Å; A326-N371 VanDerWaalsContact O-OD1 3.07Å; N371-D373 PolarHBondContact ND2-O 2.87Å; N371-V386 HydrophobicContact CB-CG2 3.67Å
372	L	90.2	Very high	90.5	Very high	36 Å²	36	24.5 Å²	24.5	19%	0.188	15%	0.154	C	C	.	.	S	Bend	trans	-82.7	-38.4	175.5	179.1	58.9	0	0	0	112.3	R349 Q351	R349-L372 WeakPolarHBondContact O-CB 3.02Å; R349-L372 PolarHBondContact O-N 3.23Å; Q351-L372 HydrophobicContact CB-CD1 4.15Å
373	D	90.9	Very high	92.3	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.021	14%	0.138	C	C	.	.			trans	-88.3	146.5	-174	-58	-48.2	0	0	0	112	R349 N371 L382 M414	R349-D373 WeakPolarHBondContact CB-OD2 3.25Å; R349-D373 IonicContact CZ-OD1 2.66Å; R349-D373 IonicContact CZ-OD2 2.66Å; R349-D373 IonicContact NE-OD1 2.86Å; R349-D373 IonicContact NE-OD2 3.88Å; R349-D373 PolarHBondContact NE-OD2 3.06Å; R349-D373 IonicContact NH2-OD1 3.45Å; R349-D373 PolarHBondContact NH2-OD1 3.38Å; R349-D373 IonicContact NH2-OD2 2.89Å; N371-D373 PolarHBondContact ND2-O 2.87Å; D373-L382 HydrophobicContact CB-CD2 4.14Å; D373-L382 WeakPolarHBondContact O-CD2 3.47Å; D373-M414 HydrophobicContact CB-CE 4.38Å; D373-M414 VanDerWaalsContact OD1-CE 3.3Å; D373-M414 WeakPolarHBondContact OD1-CE 3.21Å; D373-M414 WeakPolarHBondContact OD2-CE 3.44Å
374	R	95.4	Very high	94	Very high	3 Å²	3	19.5 Å²	19.5	1%	0.011	12%	0.117	C	C	.	.			trans	-133.8	-20.1	178.7	-53.3	-168.5	-171.7	72.4	21.8	114.5	S318 L320 T322	S318-R374 VanDerWaalsContact O-CD 3.27Å; S318-R374 WeakPolarHBondContact O-CD 3.22Å; S318-R374 PolarHBondContact O-NH1 3.43Å; L320-R374 CarbonylContact O-C 3.59Å; T322-R374 PolarHBondContact N-O 3.4Å; T322-R374 PolarHBondContact OG1-O 3.4Å
375	L	95.9	Very high	95.1	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.016	9%	0.091	C	C	.	.	S	Bend	trans	-119	144	-177.4	-171.9	64.2	0	0	0	110.1	I126 H130 Y133 H140 L310 L320	I126-L375 HydrophobicContact CG2-CD2 3.57Å; H130-L375 HydrophobicContact CB-CB 4.2Å; Y133-L375 HydrophobicContact CD1-CD1 4.49Å; Y133-L375 HydrophobicContact CD1-CD2 3.25Å; Y133-L375 HydrophobicContact CD1-CG 3.55Å; Y133-L375 HydrophobicContact CD2-CG 4.25Å; Y133-L375 HydrophobicContact CE1-CD1 4.04Å; Y133-L375 HydrophobicContact CE1-CD2 3.45Å; Y133-L375 VanDerWaalsContact CE1-CD2 3.45Å; Y133-L375 HydrophobicContact CE1-CG 3.58Å; Y133-L375 HydrophobicContact CE2-CG 4.28Å; Y133-L375 HydrophobicContact CG-CD2 3.98Å; Y133-L375 HydrophobicContact CG-CG 3.88Å; H140-L375 HydrophobicContact CB-CD1 4.06Å; L310-L375 WeakPolarHBondContact O-CD1 3.42Å; L320-L375 HydrophobicContact CB-CD1 4.4Å; L320-L375 HydrophobicContact CB-CD2 4.23Å
376	G	95.9	Very high	95.7	Very high	16 Å²	16	14.7 Å²	14.7	17%	0.165	8%	0.077	C	C	.	.	S	Bend	trans	82.5	-0.4	-179.2	0	0	0	0	0	117	Y133 H140	Y133-G376 VanDerWaalsContact CD2-CA 3.48Å; H140-G376 PolarHBondContact ND1-N 2.81Å; H140-G376 VanDerWaalsContact ND1-N 3.16Å
377	K	95.8	Very high	96.1	Very high	28 Å²	28	13.7 Å²	13.7	12%	0.122	7%	0.071	C	C	.	.	S	Bend	trans	-133	144.3	168.3	-69.3	-177.4	178.9	179.6	0	109	H140 T322 E381 L382	H140-K377 PolarHBondContact CE1-O 2.83Å; H140-K377 VanDerWaalsContact CE1-O 3.32Å; T322-K377 VanDerWaalsContact CG2-O 3.26Å; T322-K377 WeakPolarHBondContact CG2-O 3.5Å; K377-E381 WeakPolarHBondContact CA-OE2 3.48Å; K377-E381 HydrophobicContact CB-CB 4.17Å; K377-L382 HydrophobicContact CB-CD2 3.9Å; K377-L382 HydrophobicContact CB-CG 4.03Å; K377-L382 HydrophobicContact CD-CD2 4.2Å
378	S	97.9	Very high	96.5	Very high	5 Å²	5	17.1 Å²	17.1	4%	0.035	9%	0.09	C	C	.	.			trans	-72.2	167.2	-179.6	77.2	0	0	0	0	112.5	P141 V380 E381 L382	P141-S378 WeakPolarHBondContact O-CA 3.3Å; S378-V380 VanDerWaalsContact C-N 3.34Å; S378-V380 PolarHBondContact O-N 3.39Å; S378-E381 PolarHBondContact N-OE2 2.88Å; S378-E381 PolarHBondContact O-N 3.45Å; S378-E381 WeakPolarHBondContact OG-CG 3.46Å; S378-E381 PolarHBondContact OG-N 3.02Å; S378-E381 PolarHBondContact OG-OE2 2.63Å; S378-L382 WeakPolarHBondContact O-CG 3.49Å; S378-L382 PolarHBondContact O-N 2.57Å
379	E	98.6	Very high	96.7	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-57.9	-46.1	177.9	-66.1	84.3	169.7	0	0	111.7	T142 D143 L144 F283 T322 L324 E381 L382 V383	T142-E379 WeakPolarHBondContact CA-OE2 3.44Å; D143-E379 PolarHBondContact N-OE2 3.08Å; D143-E379 WeakPolarHBondContact O-CB 3.11Å; L144-E379 HydrophobicContact CD2-CB 3.93Å; L144-E379 HydrophobicContact CD2-CG 3.68Å; L144-E379 HydrophobicContact CG-CG 4.48Å; F283-E379 HydrophobicContact CE2-CB 4.32Å; F283-E379 HydrophobicContact CZ-CB 4.16Å; T322-E379 HydrophobicContact CG2-CG 3.78Å; L324-E379 HydrophobicContact CD1-CB 3.69Å; L324-E379 HydrophobicContact CD1-CG 3.73Å; E379-E381 PolarHBondContact O-N 2.97Å; E379-L382 PolarHBondContact O-N 3.19Å; E379-V383 WeakPolarHBondContact O-CG2 3.14Å; E379-V383 PolarHBondContact O-N 3.14Å
380	V	98.4	Very high	96.8	Very high	13 Å²	13	16.8 Å²	16.8	8%	0.079	9%	0.089	C	C	.	.	H	α-helix	trans	-57.7	-46.4	174.9	167.1	0	0	0	0	111.5	D143 D145 K148 F283 S378 L382 V383 Q384	D143-V380 HydrophobicContact CB-CG2 4.41Å; D143-V380 VanDerWaalsContact O-CG2 3.3Å; D143-V380 WeakPolarHBondContact O-CG2 3.21Å; D143-V380 PolarHBondContact O-N 2.77Å; D145-V380 WeakPolarHBondContact O-CG2 3.29Å; K148-V380 HydrophobicContact CB-CG1 3.73Å; K148-V380 HydrophobicContact CB-CG2 4.36Å; F283-V380 HydrophobicContact CE1-CG2 3.88Å; F283-V380 HydrophobicContact CZ-CG2 4.09Å; S378-V380 VanDerWaalsContact C-N 3.34Å; S378-V380 PolarHBondContact O-N 3.39Å; V380-L382 VanDerWaalsContact C-N 3.35Å; V380-L382 PolarHBondContact O-N 3.36Å; V380-V383 PolarHBondContact O-N 2.63Å; V380-Q384 WeakPolarHBondContact O-CB 3.19Å; V380-Q384 PolarHBondContact O-N 3.01Å
381	E	97.7	Very high	96.9	Very high	100 Å²	100	19.1 Å²	19.1	47%	0.467	10%	0.101	S	C	.	.	H	α-helix	trans	-63.3	-41.4	-179.8	-71.3	179	119.8	0	0	111.9	K377 S378 E379 L385	K377-E381 WeakPolarHBondContact CA-OE2 3.48Å; K377-E381 HydrophobicContact CB-CB 4.17Å; S378-E381 PolarHBondContact N-OE2 2.88Å; S378-E381 PolarHBondContact O-N 3.45Å; S378-E381 WeakPolarHBondContact OG-CG 3.46Å; S378-E381 PolarHBondContact OG-N 3.02Å; S378-E381 PolarHBondContact OG-OE2 2.63Å; E379-E381 PolarHBondContact O-N 2.97Å; E381-L385 WeakPolarHBondContact O-CB 3.34Å; E381-L385 PolarHBondContact O-N 3.22Å
382	L	97.9	Very high	97	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-67	-42.7	178.2	-69.7	176.8	0	0	0	111.9	T322 L324 D373 K377 S378 E379 V380 L385 V386	T322-L382 HydrophobicContact CG2-CD1 3.81Å; T322-L382 VanDerWaalsContact OG1-CD1 3.31Å; T322-L382 WeakPolarHBondContact OG1-CD1 3.16Å; L324-L382 HydrophobicContact CB-CD1 4.45Å; L324-L382 HydrophobicContact CD2-CB 4.08Å; L324-L382 HydrophobicContact CD2-CD1 4.46Å; D373-L382 HydrophobicContact CB-CD2 4.14Å; D373-L382 WeakPolarHBondContact O-CD2 3.47Å; K377-L382 HydrophobicContact CB-CD2 3.9Å; K377-L382 HydrophobicContact CB-CG 4.03Å; K377-L382 HydrophobicContact CD-CD2 4.2Å; S378-L382 WeakPolarHBondContact O-CG 3.49Å; S378-L382 PolarHBondContact O-N 2.57Å; E379-L382 PolarHBondContact O-N 3.19Å; V380-L382 VanDerWaalsContact C-N 3.35Å; V380-L382 PolarHBondContact O-N 3.36Å; L382-L385 WeakPolarHBondContact O-CB 3.26Å; L382-L385 PolarHBondContact O-N 2.86Å; L382-V386 WeakPolarHBondContact O-CG2 3.32Å; L382-V386 PolarHBondContact O-N 2.86Å; L382-V386 VanDerWaalsContact O-N 3.07Å
383	V	98.5	Very high	97.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.3	-40.6	177.1	179.5	0	0	0	0	110.8	L149 M279 F283 L324 A326 E379 V380 L385 V386 V387	L149-V383 HydrophobicContact CD1-CB 4.17Å; L149-V383 HydrophobicContact CD1-CG1 3.72Å; L149-V383 HydrophobicContact CD2-CG1 3.79Å; L149-V383 HydrophobicContact CG-CG1 4.43Å; M279-V383 HydrophobicContact CG-CG1 3.97Å; M279-V383 HydrophobicContact SD-CG1 4.33Å; F283-V383 HydrophobicContact CB-CG1 4.36Å; F283-V383 HydrophobicContact CD1-CG1 4.32Å; F283-V383 HydrophobicContact CD2-CB 4.5Å; F283-V383 HydrophobicContact CD2-CG1 4.47Å; F283-V383 HydrophobicContact CD2-CG2 3.7Å; F283-V383 HydrophobicContact CE1-CG2 4.46Å; F283-V383 HydrophobicContact CE2-CG2 3.63Å; F283-V383 HydrophobicContact CG-CG1 4.14Å; F283-V383 HydrophobicContact CG-CG2 4.17Å; F283-V383 HydrophobicContact CZ-CG2 4.03Å; L324-V383 HydrophobicContact CD1-CG2 4.12Å; L324-V383 HydrophobicContact CD2-CG2 4.12Å; A326-V383 HydrophobicContact CB-CG2 3.9Å; E379-V383 WeakPolarHBondContact O-CG2 3.14Å; E379-V383 PolarHBondContact O-N 3.14Å; V380-V383 PolarHBondContact O-N 2.63Å; V383-L385 VanDerWaalsContact C-N 3.3Å; V383-L385 PolarHBondContact O-N 3.39Å; V383-V386 PolarHBondContact O-N 2.97Å; V383-V387 WeakPolarHBondContact O-CG2 3.34Å; V383-V387 PolarHBondContact O-N 2.83Å
384	Q	98.4	Very high	97.8	Very high	34 Å²	34	20 Å²	20	16%	0.159	10%	0.102	C	C	.	.	H	α-helix	trans	-61.5	-39.1	174.5	-171.9	66.6	66.1	0	0	112	L149 K150 V380 V386 V387 N388	L149-Q384 HydrophobicContact CD1-CB 4.13Å; K150-Q384 PolarHBondContact O-NE2 2.77Å; K150-Q384 PolarHBondContact O-OE1 3.18Å; V380-Q384 WeakPolarHBondContact O-CB 3.19Å; V380-Q384 PolarHBondContact O-N 3.01Å; Q384-V386 VanDerWaalsContact C-N 3.34Å; Q384-V387 PolarHBondContact O-N 2.79Å; Q384-N388 PolarHBondContact NE2-OD1 2.91Å; Q384-N388 WeakPolarHBondContact O-CB 3.46Å; Q384-N388 PolarHBondContact O-N 3.37Å; Q384-N388 PolarHBondContact O-OD1 3.45Å
385	L	97.6	Very high	97.9	Very high	16 Å²	16	25.2 Å²	25.2	8%	0.084	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-42.6	175.2	-179.7	158.6	0	0	0	111.5	L348 R349 L350 E381 L382 V383 N388 G389 L412	L348-L385 VanDerWaalsContact O-CD2 3.32Å; L348-L385 WeakPolarHBondContact O-CD2 3.43Å; R349-L385 HydrophobicContact CB-CD1 4.14Å; R349-L385 HydrophobicContact CB-CD2 4.37Å; L350-L385 HydrophobicContact CD2-CD2 3.9Å; E381-L385 WeakPolarHBondContact O-CB 3.34Å; E381-L385 PolarHBondContact O-N 3.22Å; L382-L385 WeakPolarHBondContact O-CB 3.26Å; L382-L385 PolarHBondContact O-N 2.86Å; V383-L385 VanDerWaalsContact C-N 3.3Å; V383-L385 PolarHBondContact O-N 3.39Å; L385-N388 PolarHBondContact O-N 3.02Å; L385-G389 PolarHBondContact O-N 3.08Å; L385-L412 HydrophobicContact CD1-CD1 3.73Å; L385-L412 HydrophobicContact CG-CD1 3.97Å
386	V	98.3	Very high	98.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.6	-45.7	173.9	175.4	0	0	0	0	111	A326 L350 N371 L382 V383 Q384 N388 G389 V390	A326-V386 HydrophobicContact CB-CG2 4.16Å; L350-V386 HydrophobicContact CD2-CG2 4.2Å; N371-V386 HydrophobicContact CB-CG2 3.67Å; L382-V386 WeakPolarHBondContact O-CG2 3.32Å; L382-V386 PolarHBondContact O-N 2.86Å; L382-V386 VanDerWaalsContact O-N 3.07Å; V383-V386 PolarHBondContact O-N 2.97Å; Q384-V386 VanDerWaalsContact C-N 3.34Å; V386-N388 VanDerWaalsContact C-N 3.34Å; V386-N388 PolarHBondContact O-N 3.01Å; V386-G389 PolarHBondContact O-N 3.41Å; V386-V390 HydrophobicContact CG1-CG2 3.93Å; V386-V390 WeakPolarHBondContact O-CB 3.42Å; V386-V390 VanDerWaalsContact O-CG2 3.27Å; V386-V390 WeakPolarHBondContact O-CG2 3.22Å; V386-V390 PolarHBondContact O-N 2.87Å
387	V	98.5	Very high	98.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-57.1	-48.6	178.1	169.9	0	0	0	0	111.3	L149 H151 F154 M279 V383 Q384 N391	L149-V387 HydrophobicContact CD1-CG2 4.29Å; H151-V387 HydrophobicContact CB-CG1 4.5Å; F154-V387 HydrophobicContact CE1-CB 4.31Å; F154-V387 HydrophobicContact CE1-CG1 4.26Å; F154-V387 HydrophobicContact CE1-CG2 4.33Å; F154-V387 HydrophobicContact CZ-CB 4.32Å; F154-V387 HydrophobicContact CZ-CG2 3.93Å; M279-V387 HydrophobicContact CB-CG2 4.41Å; M279-V387 HydrophobicContact CG-CG2 4Å; V383-V387 WeakPolarHBondContact O-CG2 3.34Å; V383-V387 PolarHBondContact O-N 2.83Å; Q384-V387 PolarHBondContact O-N 2.79Å; V387-N391 WeakPolarHBondContact O-CB 3.34Å; V387-N391 PolarHBondContact O-N 2.88Å; V387-N391 PolarHBondContact O-ND2 3.41Å; V387-N391 VanDerWaalsContact O-ND2 3.11Å
388	N	98.3	Very high	98.3	Very high	91 Å²	91	26.4 Å²	26.4	49%	0.487	13%	0.127	S	C	.	.	H	α-helix	trans	-66	-45.5	-179.8	-65.2	-8.6	0	0	0	111.7	Q384 L385 V386 Y392	Q384-N388 PolarHBondContact NE2-OD1 2.91Å; Q384-N388 WeakPolarHBondContact O-CB 3.46Å; Q384-N388 PolarHBondContact O-N 3.37Å; Q384-N388 PolarHBondContact O-OD1 3.45Å; L385-N388 PolarHBondContact O-N 3.02Å; V386-N388 VanDerWaalsContact C-N 3.34Å; V386-N388 PolarHBondContact O-N 3.01Å; N388-Y392 PolarHBondContact O-N 2.81Å; N388-Y392 VanDerWaalsContact O-N 3.11Å
389	G	98.1	Very high	98.3	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-66.7	-44	-177.9	0	0	0	0	0	112.6	L385 V386 N391 Y392 L393	L385-G389 PolarHBondContact O-N 3.08Å; V386-G389 PolarHBondContact O-N 3.41Å; G389-N391 PolarHBondContact O-N 3.19Å; G389-Y392 WeakPolarHBondContact O-CB 3.42Å; G389-Y392 PolarHBondContact O-N 3.13Å; G389-L393 WeakPolarHBondContact O-CG 3.38Å; G389-L393 PolarHBondContact O-N 2.79Å
390	V	98.4	Very high	98.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.1	-41.9	177.9	170.7	0	0	0	0	111.3	F154 V159 V328 I369 V386 Y392 L393 I394	F154-V390 HydrophobicContact CD1-CB 4.3Å; F154-V390 HydrophobicContact CD1-CG1 3.78Å; F154-V390 HydrophobicContact CE1-CB 3.72Å; F154-V390 HydrophobicContact CE1-CG1 3.7Å; F154-V390 HydrophobicContact CE2-CG1 4.44Å; F154-V390 HydrophobicContact CG-CG1 4.22Å; F154-V390 HydrophobicContact CZ-CB 3.98Å; F154-V390 HydrophobicContact CZ-CG1 4.04Å; F154-V390 HydrophobicContact CZ-CG2 4.43Å; V159-V390 HydrophobicContact CG2-CG1 4.11Å; V328-V390 HydrophobicContact CG2-CB 4.5Å; V328-V390 HydrophobicContact CG2-CG1 3.93Å; V328-V390 HydrophobicContact CG2-CG2 3.69Å; I369-V390 HydrophobicContact CG2-CG2 4.28Å; V386-V390 HydrophobicContact CG1-CG2 3.93Å; V386-V390 WeakPolarHBondContact O-CB 3.42Å; V386-V390 VanDerWaalsContact O-CG2 3.27Å; V386-V390 WeakPolarHBondContact O-CG2 3.22Å; V386-V390 PolarHBondContact O-N 2.87Å; V390-Y392 VanDerWaalsContact C-N 3.29Å; V390-Y392 PolarHBondContact O-N 3.49Å; V390-L393 PolarHBondContact O-N 3.32Å; V390-L393 VanDerWaalsContact O-N 3.16Å; V390-I394 HydrophobicContact CG1-CD1 3.96Å; V390-I394 WeakPolarHBondContact O-CG1 3.27Å; V390-I394 PolarHBondContact O-N 2.92Å
391	N	98.4	Very high	98.3	Very high	48 Å²	48	35.6 Å²	35.6	26%	0.257	17%	0.169	S	C	.	.	H	α-helix	trans	-58.7	-42.1	174.1	-78.5	-32.6	0	0	0	111.8	F154 V387 G389 L393 I394 E395	F154-N391 WeakPolarHBondContact CD1-OD1 3.48Å; V387-N391 WeakPolarHBondContact O-CB 3.34Å; V387-N391 PolarHBondContact O-N 2.88Å; V387-N391 PolarHBondContact O-ND2 3.41Å; V387-N391 VanDerWaalsContact O-ND2 3.11Å; G389-N391 PolarHBondContact O-N 3.19Å; N391-L393 PolarHBondContact O-N 2.8Å; N391-I394 PolarHBondContact O-N 3.41Å; N391-E395 WeakPolarHBondContact O-CG 3.45Å; N391-E395 PolarHBondContact O-N 3.04Å
392	Y	98.5	Very high	98.3	Very high	56 Å²	56	38 Å²	38	22%	0.22	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-40.7	175.2	-173.4	-91.3	0	0	0	113	I344 L348 N388 G389 V390 I394 E395 C396 Q407 P409	I344-Y392 HydrophobicContact CG2-CD1 4.16Å; I344-Y392 HydrophobicContact CG2-CE1 3.98Å; L348-Y392 HydrophobicContact CD1-CD1 3.79Å; L348-Y392 HydrophobicContact CD1-CG 4.35Å; N388-Y392 PolarHBondContact O-N 2.81Å; N388-Y392 VanDerWaalsContact O-N 3.11Å; G389-Y392 WeakPolarHBondContact O-CB 3.42Å; G389-Y392 PolarHBondContact O-N 3.13Å; V390-Y392 VanDerWaalsContact C-N 3.29Å; V390-Y392 PolarHBondContact O-N 3.49Å; Y392-I394 VanDerWaalsContact C-N 3.34Å; Y392-E395 PolarHBondContact O-N 2.88Å; Y392-C396 WeakPolarHBondContact CE1-SG 3.3Å; Y392-C396 PolarHBondContact O-N 3.31Å; Y392-C396 PolarHBondContact O-SG 3.18Å; Y392-Q407 PolarHBondContact OH-O 3.24Å; Y392-P409 HydrophobicContact CD1-CG 4.39Å; Y392-P409 HydrophobicContact CE1-CB 4.25Å; Y392-P409 HydrophobicContact CE1-CG 3.79Å; Y392-P409 HydrophobicContact CE2-CB 4.38Å
393	L	98.5	Very high	98.3	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-42.2	175.8	-62.9	179.6	0	0	0	111.4	L332 L335 F341 I344 L345 L348 L350 I369 G389 V390 N391 C396 E397	L332-L393 HydrophobicContact CD1-CB 4.39Å; L332-L393 HydrophobicContact CD1-CD1 4.31Å; L332-L393 HydrophobicContact CD2-CB 4.39Å; L335-L393 HydrophobicContact CD2-CB 4.15Å; L335-L393 HydrophobicContact CD2-CD2 3.76Å; F341-L393 HydrophobicContact CE2-CD2 4.13Å; I344-L393 HydrophobicContact CG2-CD2 3.69Å; L345-L393 HydrophobicContact CD2-CD1 3.99Å; L345-L393 HydrophobicContact CD2-CD2 4.34Å; L348-L393 HydrophobicContact CD1-CD2 4.21Å; L350-L393 HydrophobicContact CD1-CD1 4.06Å; I369-L393 HydrophobicContact CG1-CD1 4.31Å; I369-L393 HydrophobicContact CG2-CD1 3.96Å; G389-L393 WeakPolarHBondContact O-CG 3.38Å; G389-L393 PolarHBondContact O-N 2.79Å; V390-L393 PolarHBondContact O-N 3.32Å; V390-L393 VanDerWaalsContact O-N 3.16Å; N391-L393 PolarHBondContact O-N 2.8Å; L393-C396 WeakPolarHBondContact O-CB 2.96Å; L393-C396 PolarHBondContact O-N 2.87Å; L393-E397 PolarHBondContact O-N 3.39Å
394	I	98.4	Very high	98.3	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-41	176.2	-66.5	167.2	0	0	0	110.8	F154 D155 Y158 V159 V330 V390 N391 Y392 C396 E397 K398	F154-I394 HydrophobicContact CB-CD1 4.46Å; D155-I394 HydrophobicContact CB-CD1 4.45Å; D155-I394 HydrophobicContact CB-CG2 4.26Å; Y158-I394 HydrophobicContact CD2-CG2 3.73Å; Y158-I394 HydrophobicContact CE2-CG2 4.07Å; Y158-I394 HydrophobicContact CG-CG1 4.35Å; Y158-I394 HydrophobicContact CG-CG2 4.07Å; V159-I394 HydrophobicContact CG2-CD1 3.97Å; V330-I394 HydrophobicContact CG2-CG1 4.4Å; V390-I394 HydrophobicContact CG1-CD1 3.96Å; V390-I394 WeakPolarHBondContact O-CG1 3.27Å; V390-I394 PolarHBondContact O-N 2.92Å; N391-I394 PolarHBondContact O-N 3.41Å; Y392-I394 VanDerWaalsContact C-N 3.34Å; I394-C396 VanDerWaalsContact C-N 3.33Å; I394-C396 PolarHBondContact O-N 3.11Å; I394-E397 PolarHBondContact O-N 3.07Å; I394-K398 HydrophobicContact CG2-CD 4.08Å; I394-K398 WeakPolarHBondContact O-CB 3.44Å; I394-K398 WeakPolarHBondContact O-CG 3.43Å; I394-K398 PolarHBondContact O-N 3.32Å
395	E	98.4	Very high	98.3	Very high	111 Å²	111	49.4 Å²	49.4	52%	0.519	25%	0.254	S	S	.	.	H	α-helix	trans	-62	-40.4	174.4	-74.7	178	-173.5	0	0	112.3	N391 Y392 K399	N391-E395 WeakPolarHBondContact O-CG 3.45Å; N391-E395 PolarHBondContact O-N 3.04Å; Y392-E395 PolarHBondContact O-N 2.88Å; E395-K399 WeakPolarHBondContact O-CG 3.43Å; E395-K399 PolarHBondContact O-N 3.44Å; E395-K399 VanDerWaalsContact O-N 3.09Å
396	C	98.6	Very high	98.3	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.027	25%	0.25	C	S	.	.	H	α-helix	trans	-64.2	-45.2	175	-68.8	0	0	0	0	111.4	L335 Y392 L393 I394 K398 K399 L400 I406	L335-C396 HydrophobicContact CD1-CB 4.14Å; L335-C396 HydrophobicContact CD2-CB 3.98Å; Y392-C396 WeakPolarHBondContact CE1-SG 3.3Å; Y392-C396 PolarHBondContact O-N 3.31Å; Y392-C396 PolarHBondContact O-SG 3.18Å; L393-C396 WeakPolarHBondContact O-CB 2.96Å; L393-C396 PolarHBondContact O-N 2.87Å; I394-C396 VanDerWaalsContact C-N 3.33Å; I394-C396 PolarHBondContact O-N 3.11Å; C396-K398 PolarHBondContact O-N 3.28Å; C396-K399 PolarHBondContact O-N 2.57Å; C396-L400 WeakPolarHBondContact O-CG 3.39Å; C396-L400 PolarHBondContact O-N 2.86Å; C396-I406 HydrophobicContact CB-CB 4.4Å; C396-I406 HydrophobicContact CB-CD1 4.29Å; C396-I406 HydrophobicContact CB-CG2 3.89Å
397	E	98.5	Very high	98.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.8	-49.6	176.5	-173.3	61.8	-149.2	0	0	111.2	Y158 L332 P333 N334 L335 L393 I394 K399 L400 E401	Y158-E397 HydrophobicContact CD1-CB 4.47Å; Y158-E397 HydrophobicContact CD1-CG 3.93Å; Y158-E397 HydrophobicContact CE1-CB 4.18Å; Y158-E397 HydrophobicContact CE1-CG 3.54Å; L332-E397 WeakPolarHBondContact CA-OE2 3.32Å; L332-E397 HydrophobicContact CD2-CB 3.84Å; L332-E397 HydrophobicContact CD2-CG 4.15Å; P333-E397 WeakPolarHBondContact CD-OE1 3.34Å; P333-E397 VanDerWaalsContact CG-OE1 3.26Å; P333-E397 WeakPolarHBondContact CG-OE1 3.35Å; N334-E397 VanDerWaalsContact CB-OE1 3.26Å; N334-E397 WeakPolarHBondContact CB-OE1 3.47Å; N334-E397 PolarHBondContact N-OE1 3.4Å; N334-E397 PolarHBondContact N-OE2 3.24Å; N334-E397 PolarHBondContact ND2-OE1 3.41Å; L335-E397 VanDerWaalsContact CB-OE2 3.23Å; L335-E397 WeakPolarHBondContact CB-OE2 3.29Å; L335-E397 PolarHBondContact N-OE2 3.48Å; L393-E397 PolarHBondContact O-N 3.39Å; I394-E397 PolarHBondContact O-N 3.07Å; E397-K399 VanDerWaalsContact C-N 3.26Å; E397-K399 PolarHBondContact O-N 2.88Å; E397-L400 PolarHBondContact O-N 3.24Å; E397-L400 VanDerWaalsContact O-N 3.14Å; E397-E401 WeakPolarHBondContact O-CG 3.45Å; E397-E401 PolarHBondContact O-N 2.87Å
398	K	98.6	Very high	98.2	Very high	68 Å²	68	57.1 Å²	57.1	30%	0.296	29%	0.293	S	S	.	.	H	α-helix	trans	-58.9	-32.6	176.9	-76.3	173.5	177.5	-179.2	0	114	D155 Y158 I394 C396 K402	D155-K398 VanDerWaalsContact OD2-CE 3.23Å; D155-K398 WeakPolarHBondContact OD2-CE 3.42Å; D155-K398 IonicContact OD2-NZ 2.91Å; D155-K398 PolarHBondContact OD2-NZ 3.2Å; Y158-K398 HydrophobicContact CE2-CD 4.35Å; Y158-K398 HydrophobicContact CE2-CG 4.07Å; Y158-K398 WeakPolarHBondContact OH-CG 3.48Å; I394-K398 HydrophobicContact CG2-CD 4.08Å; I394-K398 WeakPolarHBondContact O-CB 3.44Å; I394-K398 WeakPolarHBondContact O-CG 3.43Å; I394-K398 PolarHBondContact O-N 3.32Å; C396-K398 PolarHBondContact O-N 3.28Å; K398-K402 WeakPolarHBondContact O-CG 3.44Å
399	K	98.6	Very high	98.2	Very high	84 Å²	84	53.8 Å²	53.8	37%	0.365	28%	0.276	S	S	.	.	H	α-helix	trans	-71.6	-47.1	175.4	-79.4	178.1	177.1	-179.7	0	110.8	E395 C396 E397 E401 K402 G403 Q404 I406	E395-K399 WeakPolarHBondContact O-CG 3.43Å; E395-K399 PolarHBondContact O-N 3.44Å; E395-K399 VanDerWaalsContact O-N 3.09Å; C396-K399 PolarHBondContact O-N 2.57Å; E397-K399 VanDerWaalsContact C-N 3.26Å; E397-K399 PolarHBondContact O-N 2.88Å; K399-E401 VanDerWaalsContact C-N 3.32Å; K399-E401 PolarHBondContact O-N 3.48Å; K399-K402 CarbonylContact O-C 3.58Å; K399-K402 WeakPolarHBondContact O-CA 3.49Å; K399-K402 PolarHBondContact O-N 3.38Å; K399-G403 PolarHBondContact O-N 3.05Å; K399-Q404 HydrophobicContact CB-CB 4.05Å; K399-Q404 HydrophobicContact CG-CB 4.43Å; K399-Q404 WeakPolarHBondContact O-CB 3.35Å; K399-Q404 PolarHBondContact O-N 3.05Å; K399-I406 HydrophobicContact CB-CG2 3.86Å; K399-I406 HydrophobicContact CD-CG2 4.22Å
400	L	98.4	Very high	98.1	Very high	36 Å²	36	57.6 Å²	57.6	19%	0.188	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-38	179.2	-67.3	173.9	0	0	0	112	N334 L335 C396 E397 K402 G403 I406	N334-L400 HydrophobicContact CB-CB 3.69Å; N334-L400 HydrophobicContact CB-CD1 4.06Å; L335-L400 HydrophobicContact CB-CD1 4Å; L335-L400 HydrophobicContact CD1-CD1 4.12Å; C396-L400 WeakPolarHBondContact O-CG 3.39Å; C396-L400 PolarHBondContact O-N 2.86Å; E397-L400 PolarHBondContact O-N 3.24Å; E397-L400 VanDerWaalsContact O-N 3.14Å; L400-K402 PolarHBondContact O-N 2.99Å; L400-G403 PolarHBondContact O-N 2.75Å; L400-I406 HydrophobicContact CD1-CD1 4.13Å; L400-I406 HydrophobicContact CD2-CG1 4.39Å; L400-I406 HydrophobicContact CD2-CG2 4.12Å; L400-I406 HydrophobicContact CG-CG2 3.93Å
401	E	97.8	Very high	97.9	Very high	93 Å²	93	61.7 Å²	61.7	44%	0.435	33%	0.334	S	S	.	.	H	α-helix	trans	-56.7	-31.5	172.2	-74.3	172	173.5	0	0	113	Y158 N334 E397 K399	Y158-E401 VanDerWaalsContact CE1-OE1 3.28Å; Y158-E401 WeakPolarHBondContact CE1-OE1 3.48Å; Y158-E401 VanDerWaalsContact OH-CD 3.26Å; Y158-E401 PolarHBondContact OH-OE1 2.81Å; Y158-E401 VanDerWaalsContact OH-OE1 3.06Å; Y158-E401 PolarHBondContact OH-OE2 2.87Å; N334-E401 WeakPolarHBondContact ND2-CG 3.43Å; E397-E401 WeakPolarHBondContact O-CG 3.45Å; E397-E401 PolarHBondContact O-N 2.87Å; K399-E401 VanDerWaalsContact C-N 3.32Å; K399-E401 PolarHBondContact O-N 3.48Å
402	K	98.2	Very high	97.4	Very high	151 Å²	151	62.9 Å²	62.9	66%	0.657	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	6.5	178.1	-64.2	172.6	-173.7	176.5	0	113.1	K398 K399 L400 Q404	K398-K402 WeakPolarHBondContact O-CG 3.44Å; K399-K402 CarbonylContact O-C 3.58Å; K399-K402 WeakPolarHBondContact O-CA 3.49Å; K399-K402 PolarHBondContact O-N 3.38Å; L400-K402 PolarHBondContact O-N 2.99Å; K402-Q404 VanDerWaalsContact C-N 3.28Å; K402-Q404 HydrophobicContact CB-CG 4.06Å; K402-Q404 PolarHBondContact O-N 3.16Å
403	G	97.5	Very high	96.6	Very high	75 Å²	75	65.8 Å²	65.8	77%	0.773	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	23.8	-175.4	0	0	0	0	0	114.1	K399 L400	K399-G403 PolarHBondContact O-N 3.05Å; L400-G403 PolarHBondContact O-N 2.75Å
404	Q	98.3	Very high	95.3	Very high	103 Å²	103	67.3 Å²	67.3	48%	0.481	37%	0.371	S	S	.	.			trans	-96.2	150.6	179.8	-60.1	179.7	-17.3	0	0	111.4	K399 K402	K399-Q404 HydrophobicContact CB-CB 4.05Å; K399-Q404 HydrophobicContact CG-CB 4.43Å; K399-Q404 WeakPolarHBondContact O-CB 3.35Å; K399-Q404 PolarHBondContact O-N 3.05Å; K402-Q404 VanDerWaalsContact C-N 3.28Å; K402-Q404 HydrophobicContact CB-CG 4.06Å; K402-Q404 PolarHBondContact O-N 3.16Å
405	D	97.8	Very high	94	Very high	96 Å²	96	69.4 Å²	69.4	51%	0.513	38%	0.38	S	S	.	.			trans	-75	151.8	177	-170.5	39.3	0	0	0	112.7	R340 Q407	R340-D405 IonicContact CZ-OD1 3.41Å; R340-D405 IonicContact NH1-OD1 3.15Å; R340-D405 PolarHBondContact NH1-OD1 3.04Å; R340-D405 IonicContact NH1-OD2 3.54Å; R340-D405 IonicContact NH2-OD1 2.78Å; R340-D405 PolarHBondContact NH2-OD1 3.12Å; R340-D405 VanDerWaalsContact NH2-OD1 3.11Å; D405-Q407 PolarHBondContact OD2-NE2 2.71Å
406	I	98.4	Very high	91.9	Very high	1 Å²	1	73.8 Å²	73.8	1%	0.005	40%	0.398	C	S	.	.			trans	-116.1	160.1	177.7	62.1	168	0	0	0	110.5	L335 R340 I344 C396 K399 L400	L335-I406 HydrophobicContact CD1-CD1 3.5Å; L335-I406 VanDerWaalsContact CD1-CD1 3.5Å; R340-I406 VanDerWaalsContact CZ-CG1 3.47Å; R340-I406 PolarHBondContact NH1-O 2.84Å; R340-I406 VanDerWaalsContact NH2-CG1 3.31Å; I344-I406 HydrophobicContact CD1-CD1 3.9Å; C396-I406 HydrophobicContact CB-CB 4.4Å; C396-I406 HydrophobicContact CB-CD1 4.29Å; C396-I406 HydrophobicContact CB-CG2 3.89Å; K399-I406 HydrophobicContact CB-CG2 3.86Å; K399-I406 HydrophobicContact CD-CG2 4.22Å; L400-I406 HydrophobicContact CD1-CD1 4.13Å; L400-I406 HydrophobicContact CD2-CG1 4.39Å; L400-I406 HydrophobicContact CD2-CG2 4.12Å; L400-I406 HydrophobicContact CG-CG2 3.93Å
407	Q	97.1	Very high	89.2	Confident	123 Å²	123	86.9 Å²	86.9	58%	0.575	45%	0.454	S	S	*	.			trans	-113.2	157.7	178.9	-65.7	-61.4	-43.2	0	0	110	Y392 D405	Y392-Q407 PolarHBondContact OH-O 3.24Å; D405-Q407 PolarHBondContact OD2-NE2 2.71Å
408	V	98	Very high	88.7	Confident	53 Å²	53	91.3 Å²	91.3	32%	0.321	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-89	122.5	169.2	179.2	0	0	0	0	107	R340 K343 I344 N347	R340-V408 HydrophobicContact CB-CG2 3.97Å; R340-V408 HydrophobicContact CG-CG2 4.17Å; K343-V408 HydrophobicContact CB-CG1 4.45Å; K343-V408 HydrophobicContact CG-CG1 3.81Å; I344-V408 HydrophobicContact CG1-CG1 4.44Å; I344-V408 HydrophobicContact CG1-CG2 4.24Å; N347-V408 WeakPolarHBondContact ND2-CG1 3.47Å
409	P	97.3	Very high	88.2	Confident	21 Å²	21	92.5 Å²	92.5	14%	0.136	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-67.4	154.3	-179.7	28.8	-32.6	0	0	0	110	I344 N347 L348 Y392	I344-P409 HydrophobicContact CG2-CG 4.32Å; N347-P409 HydrophobicContact CB-CG 4.37Å; N347-P409 WeakPolarHBondContact CB-O 3.25Å; N347-P409 PolarHBondContact ND2-O 3.29Å; L348-P409 HydrophobicContact CD1-CG 4.31Å; L348-P409 HydrophobicContact CD2-CB 4.18Å; L348-P409 HydrophobicContact CD2-CG 3.78Å; L348-P409 HydrophobicContact CG-CG 3.78Å; Y392-P409 HydrophobicContact CD1-CG 4.39Å; Y392-P409 HydrophobicContact CE1-CB 4.25Å; Y392-P409 HydrophobicContact CE1-CG 3.79Å; Y392-P409 HydrophobicContact CE2-CB 4.38Å
410	A	96.4	Very high	87.7	Confident	82 Å²	82	92.9 Å²	92.9	68%	0.678	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-61	145.8	173.2	0	0	0	0	0	110.7	L412	A410-L412 PolarHBondContact O-N 2.92Å
411	P	93.6	Very high	87	Confident	85 Å²	85	96.3 Å²	96.3	55%	0.552	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-59.7	134	175.9	-19.1	29.3	0	0	0	111.7	N347	N347-P411 HydrophobicContact CB-CB 4.48Å
412	L	88.6	Confident	86.4	Confident	74 Å²	74	96.5 Å²	96.5	39%	0.387	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-64.7	135.9	173.1	-68	176.2	0	0	0	111	N347 L348 R349 L385 A410 M414	N347-L412 WeakPolarHBondContact O-CG 3.39Å; N347-L412 PolarHBondContact O-N 3.4Å; L348-L412 WeakPolarHBondContact O-CD1 3.43Å; R349-L412 HydrophobicContact CB-CD1 4.42Å; R349-L412 HydrophobicContact CG-CB 4.09Å; R349-L412 HydrophobicContact CG-CD1 4.06Å; L385-L412 HydrophobicContact CD1-CD1 3.73Å; L385-L412 HydrophobicContact CG-CD1 3.97Å; A410-L412 PolarHBondContact O-N 2.92Å; L412-M414 PolarHBondContact O-N 3.14Å
413	V	81.3	Confident	85.6	Confident	117 Å²	117	92.9 Å²	92.9	71%	0.709	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-70.7	125.3	172.2	-177.2	0	0	0	0	108.7
414	M	71.8	Confident	84.7	Confident	33 Å²	33	94.1 Å²	94.1	16%	0.163	49%	0.488	C	S	.	.			trans	-80.9	-53.9	-173	-71.4	-60.2	-64.9	0	0	113.1	N131 R349 D373 L412	N131-M414 HydrophobicContact CB-CE 3.98Å; N131-M414 VanDerWaalsContact ND2-CG 3.31Å; N131-M414 WeakPolarHBondContact ND2-CG 3.35Å; R349-M414 VanDerWaalsContact CD-SD 3.53Å; R349-M414 HydrophobicContact CG-SD 3.83Å; R349-M414 PolarHBondContact NE-SD 3.02Å; D373-M414 HydrophobicContact CB-CE 4.38Å; D373-M414 VanDerWaalsContact OD1-CE 3.3Å; D373-M414 WeakPolarHBondContact OD1-CE 3.21Å; D373-M414 WeakPolarHBondContact OD2-CE 3.44Å; L412-M414 PolarHBondContact O-N 3.14Å
415	F	70.3	Confident	83.7	Confident	47 Å²	47	93.5 Å²	93.5	21%	0.206	49%	0.488	C	S	.	.	S	Bend	trans	-128.2	138	177.7	-55.4	-65.6	0	0	0	107.2	N131 Y133 M138 K417	N131-F415 WeakPolarHBondContact O-CE2 3.09Å; Y133-F415 AromaticContact CD2-CE1 3.99Å; Y133-F415 HydrophobicContact CD2-CE1 3.99Å; Y133-F415 HydrophobicContact CD2-CZ 4.19Å; Y133-F415 HydrophobicContact CG-CZ 4.45Å; Y133-F415 VanDerWaalsContact N-CE2 3.31Å; M138-F415 HydrophobicContact CE-CG 4.44Å; M138-F415 HydrophobicContact SD-CD1 4.42Å; F415-K417 PolarHBondContact O-N 3.5Å
416	K	54.6	Low	82.5	Confident	203 Å²	203	93.3 Å²	93.3	88%	0.883	49%	0.486	S	S	*	.			trans	-61	126.4	166	-71.6	-178.5	179	176.9	0	106.5
417	K	42.6	Very low	81.1	Confident	280 Å²	280	101.6 Å²	101.6	100%	1.217	53%	0.53	S	S	*	.			trans	-59.5	0	177.7	-84.2	-173.2	176.4	-179.5	0	111.4	F415	F415-K417 PolarHBondContact O-N 3.5Å

Retrieved 417 of 417 residues in 564.8 ms (Link to these results)

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