A0A087YMQ2_POEFO Loading...

Serine/threonine-protein kinase PLK

AlphaFold DB , UniProt , Accession A0A087YMQ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 669 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	30.7	Very low	229 Å²	229	148.6 Å²	148.6	100%	1.128	84%	0.836	S	S	*	*				0	101.5	0	-63.7	161.8	179	0	0	105.9
2	H	31.3	Very low	32	Very low	187 Å²	187	145.2 Å²	145.2	87%	0.866	83%	0.825	S	S	*	*				62.7	129.2	99.4	-63.2	-61.8	0	0	0	113
3	S	29.1	Very low	31.8	Very low	101 Å²	101	147.5 Å²	147.5	71%	0.706	83%	0.827	S	S	*	*			cis	-163.7	129.6	-2.8	42.1	0	0	0	0	108.5
4	V	33.4	Very low	31.5	Very low	135 Å²	135	149.9 Å²	149.9	82%	0.818	83%	0.829	S	S	*	*				73.1	135.4	84.2	176.2	0	0	0	0	115.8
5	C	28.9	Very low	31.4	Very low	131 Å²	131	146.9 Å²	146.9	89%	0.885	82%	0.816	S	S	*	*			trans	76.6	143.2	174.7	-78.9	0	0	0	0	119.5
6	G	30.6	Very low	31.2	Very low	68 Å²	68	149.6 Å²	149.6	70%	0.701	82%	0.82	S	S	*	*			cis	165.5	133.2	-15.5	0	0	0	0	0	118.6
7	K	31.2	Very low	31	Very low	200 Å²	200	151.1 Å²	151.1	87%	0.87	82%	0.817	S	S	*	*			trans	63.3	116.7	150.7	-64.8	176	178.1	172.8	0	122.9
8	R	30.6	Very low	30.8	Very low	233 Å²	233	148.6 Å²	148.6	88%	0.879	81%	0.812	S	S	*	*			trans	61.9	170.8	140	-60.2	-175.1	171.9	177.3	-2.6	117.3
9	T	30.7	Very low	30.5	Very low	126 Å²	126	147.4 Å²	147.4	77%	0.773	81%	0.81	S	S	*	*			cis	-142.1	-168.3	-4.8	-15.6	0	0	0	0	107.4
10	S	28.1	Very low	30.4	Very low	113 Å²	113	146.6 Å²	146.6	79%	0.79	81%	0.81	S	S	*	*			cis	-164.5	-177.6	2.5	27.8	0	0	0	0	110.2
11	S	30.6	Very low	30.2	Very low	112 Å²	112	147.3 Å²	147.3	78%	0.783	81%	0.811	S	S	*	*			trans	-115.8	172.5	165.7	-142	0	0	0	0	109
12	P	46	Very low	29.7	Very low	107 Å²	107	144.5 Å²	144.5	70%	0.695	80%	0.796	S	S	*	*				-152.3	173	54.2	44.1	-24	0	0	0	118.9
13	M	29.4	Very low	29.4	Very low	175 Å²	175	144 Å²	144	86%	0.862	79%	0.794	S	S	*	*			trans	54.8	166.3	141.6	-71.8	168.5	177.9	0	0	120.3
14	E	27.8	Very low	29.3	Very low	181 Å²	181	144.3 Å²	144.3	85%	0.846	79%	0.791	S	S	*	*			cis	-145.9	-164.4	15.2	-147.9	171.4	-158.8	0	0	114.4
15	V	29.1	Very low	28.9	Very low	105 Å²	105	144.7 Å²	144.7	64%	0.636	79%	0.789	S	S	*	*			trans	-110.9	149.5	-158.5	170.3	0	0	0	0	112.2
16	H	28.2	Very low	28.7	Very low	190 Å²	190	143.7 Å²	143.7	88%	0.88	78%	0.783	S	S	*	*			trans	-165.1	125	141.1	-101.5	54.9	0	0	0	107.1
17	K	28.6	Very low	28.4	Very low	176 Å²	176	145.9 Å²	145.9	77%	0.765	79%	0.788	S	S	*	*			cis	88.8	109.2	37	-107.1	-171.4	-179.4	-179.1	0	116.7
18	S	26.3	Very low	28.2	Very low	106 Å²	106	141.4 Å²	141.4	74%	0.741	78%	0.782	S	S	*	*			trans	67.7	131.3	145.6	-54.1	0	0	0	0	121.5
19	T	26.3	Very low	28	Very low	125 Å²	125	138.6 Å²	138.6	77%	0.767	78%	0.781	S	S	*	*				-165.1	142.4	106.3	-73.1	0	0	0	0	110.2
20	V	27.1	Very low	27.7	Very low	132 Å²	132	138.1 Å²	138.1	80%	0.8	78%	0.781	S	S	*	*			trans	-118.3	138.7	169.5	173.5	0	0	0	0	107.6
21	L	26.3	Very low	27.6	Very low	161 Å²	161	141 Å²	141	84%	0.843	78%	0.782	S	S	*	*			trans	-135.4	134.1	168.5	-94	168.6	0	0	0	110.3
22	Q	25.1	Very low	27.3	Very low	171 Å²	171	141.6 Å²	141.6	80%	0.799	79%	0.786	S	S	*	*			trans	-149.6	112.2	-177.9	-177.7	-176.9	23.2	0	0	109.2
23	Q	25.2	Very low	26.3	Very low	177 Å²	177	142.8 Å²	142.8	83%	0.827	79%	0.791	S	S	*	*			trans	-142.5	126.6	165.7	-73.1	-175.9	-24.8	0	0	106.4
24	T	25.2	Very low	26.3	Very low	106 Å²	106	143.9 Å²	143.9	65%	0.65	79%	0.794	S	S	*	*			cis	96	133.3	33.4	64.3	0	0	0	0	114.1
25	N	25.1	Very low	26.2	Very low	144 Å²	144	147.1 Å²	147.1	77%	0.77	80%	0.799	S	S	*	*			trans	98.5	122.6	176.4	-53.6	-8.8	0	0	0	113.7
26	S	24.8	Very low	26.1	Very low	110 Å²	110	147.9 Å²	147.9	77%	0.769	81%	0.809	S	S	*	*			cis	73.4	134.4	42.6	87.5	0	0	0	0	112.6
27	S	25.9	Very low	26.1	Very low	114 Å²	114	145 Å²	145	80%	0.797	81%	0.809	S	S	*	*			cis	-154	-170.4	5.3	61.6	0	0	0	0	109.4
28	S	26.3	Very low	26	Very low	106 Å²	106	145.4 Å²	145.4	74%	0.741	81%	0.813	S	S	*	*			cis	-152.7	-71.9	11.6	51.8	0	0	0	0	115.8
29	M	25.9	Very low	26.3	Very low	174 Å²	174	146.1 Å²	146.1	86%	0.857	82%	0.815	S	S	*	*			trans	-149	169.1	-159.3	-76.5	176.7	168.1	0	0	111.1
30	C	25.2	Very low	26.5	Very low	115 Å²	115	151.9 Å²	151.9	78%	0.777	82%	0.823	S	S	*	*			cis	-147.3	-169.8	22.7	-150.2	0	0	0	0	114
31	E	24.5	Very low	26.7	Very low	175 Å²	175	157.4 Å²	157.4	82%	0.818	83%	0.829	S	S	*	*			trans	-82.2	152.8	-162.8	-54.9	173.2	107.6	0	0	116.5
32	S	25.9	Very low	27	Very low	124 Å²	124	159.1 Å²	159.1	87%	0.867	83%	0.83	S	S	*	*				-166.5	151.5	120.8	28.6	0	0	0	0	112.1
33	T	25	Very low	27.2	Very low	131 Å²	131	162.9 Å²	162.9	80%	0.804	84%	0.837	S	S	*	*			trans	-81.1	143.3	-170.8	42.4	0	0	0	0	114.2
34	Q	28.5	Very low	27.5	Very low	198 Å²	198	160 Å²	160	93%	0.925	83%	0.832	S	S	*	*				-162.9	167.1	123.7	-107.6	172.4	39.4	0	0	112.6
35	R	26.5	Very low	27.9	Very low	250 Å²	250	163.8 Å²	163.8	94%	0.943	84%	0.842	S	S	*	*			trans	-99.9	136.4	-163.3	-58.4	172.7	-179.3	162.8	-1.3	113
36	S	26.6	Very low	28.2	Very low	121 Å²	121	165.2 Å²	165.2	85%	0.846	84%	0.844	S	S	*	*			trans	-150.8	160.5	144.4	68.1	0	0	0	0	109.8
37	C	27.1	Very low	28.9	Very low	130 Å²	130	171.2 Å²	171.2	88%	0.878	85%	0.85	S	S	*	*			trans	-105.2	126.7	-167.7	-63	0	0	0	0	113.2
38	E	28.3	Very low	29.5	Very low	184 Å²	184	171.2 Å²	171.2	86%	0.86	85%	0.85	S	S	*	*			trans	-79.1	142.2	167.2	-67.5	-166	133.7	0	0	112.5	R40	E38-R40 PolarHBondContact O-N 3.24Å
39	P	31.3	Very low	30.2	Very low	121 Å²	121	169.7 Å²	169.7	79%	0.786	84%	0.844	S	S	*	*			trans	-77.4	114.2	173.2	30.5	-32.8	0	0	0	111.6	R41	P39-R41 PolarHBondContact O-N 2.83Å
40	R	31	Very low	31.1	Very low	245 Å²	245	165.9 Å²	165.9	93%	0.925	83%	0.832	S	S	*	*			trans	-57.4	122.7	174.6	-82.5	-178.7	168.1	175.1	-3.8	111.7	E38 K42	E38-R40 PolarHBondContact O-N 3.24Å; R40-K42 PolarHBondContact O-N 3.35Å; R40-K42 VanDerWaalsContact O-N 3.14Å
41	R	31.6	Very low	32.4	Very low	248 Å²	248	164 Å²	164	94%	0.936	82%	0.82	S	S	*	*			trans	-55.1	113.1	172.4	-67.8	176.8	176.1	169.3	-1.8	110.9	P39	P39-R41 PolarHBondContact O-N 2.83Å
42	K	31.9	Very low	33.8	Very low	197 Å²	197	162.8 Å²	162.8	86%	0.857	81%	0.814	S	S	*	*			trans	-74.3	128.4	163.8	-74.3	-177.5	175.6	180	0	108.9	R40 T44	R40-K42 PolarHBondContact O-N 3.35Å; R40-K42 VanDerWaalsContact O-N 3.14Å; K42-T44 PolarHBondContact O-N 3.41Å
43	R	29.9	Very low	35.3	Very low	251 Å²	251	164.5 Å²	164.5	95%	0.947	81%	0.811	S	S	*	*			trans	-71.5	112.8	163.6	-84.3	-179.7	167.2	172.3	-4.4	108
44	T	31.2	Very low	37.1	Very low	117 Å²	117	161 Å²	161	72%	0.718	80%	0.795	S	S	*	*			trans	-77.8	126.6	166.4	-48.9	0	0	0	0	108.4	K42 E46	K42-T44 PolarHBondContact O-N 3.41Å; T44-E46 VanDerWaalsContact C-N 3.32Å; T44-E46 HydrophobicContact CG2-CG 4.48Å; T44-E46 PolarHBondContact O-N 2.94Å
45	E	32.7	Very low	39.8	Very low	184 Å²	184	155.8 Å²	155.8	86%	0.86	77%	0.767	S	S	*	*			trans	-75.9	86.9	168	-70.4	-166.2	151.9	0	0	109.7	R47	E45-R47 PolarHBondContact O-N 3.31Å
46	E	31.5	Very low	43	Very low	174 Å²	174	147.1 Å²	147.1	81%	0.813	74%	0.739	S	S	*	*			trans	-67.1	100	169.1	-68.7	-168	153	0	0	109.8	T44 S48	T44-E46 VanDerWaalsContact C-N 3.32Å; T44-E46 HydrophobicContact CG2-CG 4.48Å; T44-E46 PolarHBondContact O-N 2.94Å; E46-S48 PolarHBondContact O-N 3.02Å
47	R	39.2	Very low	46.3	Very low	236 Å²	236	142 Å²	142	89%	0.891	70%	0.702	S	S	*	*			trans	-62.1	101.8	163.4	-74.6	-177.4	171.8	-176.8	-2.3	108.3	E45 A49	E45-R47 PolarHBondContact O-N 3.31Å; R47-A49 PolarHBondContact O-N 2.7Å
48	S	38.5	Very low	49.6	Very low	114 Å²	114	138.9 Å²	138.9	80%	0.797	68%	0.678	S	S	*	*			trans	-53.5	114.1	-177.9	45.9	0	0	0	0	111.3	E46	E46-S48 PolarHBondContact O-N 3.02Å
49	A	42.2	Very low	52.8	Low	75 Å²	75	130.2 Å²	130.2	62%	0.62	64%	0.638	S	S	*	*			trans	-66.4	139.4	173.5	0	0	0	0	0	109.1	R47 S51	R47-A49 PolarHBondContact O-N 2.7Å; A49-S51 PolarHBondContact O-N 3.08Å
50	P	45	Very low	55.9	Low	93 Å²	93	128.8 Å²	128.8	60%	0.604	63%	0.629	S	S	*	*			trans	-56.9	132.4	173.2	-24.7	34.1	0	0	0	110.4	R55	P50-R55 PolarHBondContact O-NE 3Å; P50-R55 PolarHBondContact O-NH2 3.45Å
51	S	51.4	Low	58.9	Low	76 Å²	76	121.6 Å²	121.6	53%	0.531	62%	0.622	S	S	.	*			trans	-42.5	139	179	174	0	0	0	0	111.4	A49 M53 A54	A49-S51 PolarHBondContact O-N 3.08Å; S51-M53 PolarHBondContact O-N 2.9Å; S51-A54 WeakPolarHBondContact O-CA 3.41Å; S51-A54 WeakPolarHBondContact O-CB 3.47Å; S51-A54 PolarHBondContact O-N 3.24Å
52	E	54.5	Low	61.9	Low	149 Å²	149	113.9 Å²	113.9	70%	0.696	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-59.7	-35.3	-176.8	-167.8	153	-138.3	0	0	112	A54 R55	E52-A54 VanDerWaalsContact C-N 3.27Å; E52-A54 PolarHBondContact O-N 2.9Å; E52-R55 WeakPolarHBondContact O-CB 2.92Å; E52-R55 PolarHBondContact O-N 2.74Å; E52-R55 VanDerWaalsContact O-N 3.11Å
53	M	57	Low	64.9	Low	160 Å²	160	107 Å²	107	79%	0.788	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-62.2	-32.8	173.7	-55.2	-174.8	87.8	0	0	112.5	S51 R55 I56	S51-M53 PolarHBondContact O-N 2.9Å; M53-R55 PolarHBondContact O-N 3.41Å; M53-I56 PolarHBondContact O-N 3.42Å; M53-I56 VanDerWaalsContact O-N 3.14Å
54	A	64	Low	68	Low	57 Å²	57	97.9 Å²	97.9	47%	0.471	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-75.9	14.3	176.7	0	0	0	0	0	113.7	S51 E52 R68	S51-A54 WeakPolarHBondContact O-CA 3.41Å; S51-A54 WeakPolarHBondContact O-CB 3.47Å; S51-A54 PolarHBondContact O-N 3.24Å; E52-A54 VanDerWaalsContact C-N 3.27Å; E52-A54 PolarHBondContact O-N 2.9Å; A54-R68 PolarHBondContact O-NH2 3.3Å
55	R	84.6	Confident	71.1	Confident	89 Å²	89	94.5 Å²	94.5	34%	0.336	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-113.2	-11.4	170.4	-51.5	-178.1	-164.7	175.2	7.6	112.4	P50 E52 M53 R68	P50-R55 PolarHBondContact O-NE 3Å; P50-R55 PolarHBondContact O-NH2 3.45Å; E52-R55 WeakPolarHBondContact O-CB 2.92Å; E52-R55 PolarHBondContact O-N 2.74Å; E52-R55 VanDerWaalsContact O-N 3.11Å; M53-R55 PolarHBondContact O-N 3.41Å; R55-R68 WeakPolarHBondContact O-CB 3.09Å; R55-R68 PolarHBondContact O-N 2.85Å
56	I	94.1	Very high	74.1	Confident	69 Å²	69	86.1 Å²	86.1	35%	0.354	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	132.7	177.8	-49.2	-48.5	0	0	0	109.1	M53 C65 Y66 C67 L86	M53-I56 PolarHBondContact O-N 3.42Å; M53-I56 VanDerWaalsContact O-N 3.14Å; I56-C65 HydrophobicContact CG2-CB 4.29Å; I56-Y66 CarbonylContact C-O 3.41Å; I56-Y66 WeakPolarHBondContact CA-O 3.39Å; I56-C67 HydrophobicContact CD1-CB 3.91Å; I56-L86 HydrophobicContact CD1-CD1 4.22Å; I56-L86 HydrophobicContact CG2-CD1 4.45Å
57	I	95.8	Very high	77.2	Confident	13 Å²	13	79.5 Å²	79.5	7%	0.067	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.4	178.5	-67.2	155.8	0	0	0	106.8	C65 Y66 R68 M83 F133 Y140	I57-C65 WeakPolarHBondContact O-CA 3.15Å; I57-Y66 PolarHBondContact N-O 3.3Å; I57-Y66 PolarHBondContact O-N 2.73Å; I57-R68 HydrophobicContact CD1-CB 3.99Å; I57-M83 HydrophobicContact CD1-CE 3.6Å; I57-M83 HydrophobicContact CD1-SD 4.06Å; I57-F133 HydrophobicContact CG2-CE2 3.79Å; I57-F133 HydrophobicContact CG2-CZ 3.85Å; I57-Y140 HydrophobicContact CD1-CE1 3.76Å; I57-Y140 HydrophobicContact CG1-CE1 4.37Å; I57-Y140 HydrophobicContact CG2-CD1 4.42Å; I57-Y140 HydrophobicContact CG2-CE1 3.87Å; I57-Y140 HydrophobicContact CG2-CE2 4.01Å
58	T	95.8	Very high	79.9	Confident	64 Å²	64	71.8 Å²	71.8	39%	0.393	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.3	179.5	-55.2	0	0	0	0	109.1	P60 K64 C65	T58-P60 WeakPolarHBondContact O-CD 3.37Å; T58-K64 WeakPolarHBondContact CA-O 3.39Å; T58-C65 PolarHBondContact OG1-SG 2.88Å
59	D	96.3	Very high	82.6	Confident	2 Å²	2	68 Å²	68	1%	0.011	42%	0.418	C	S	.	.			trans	-67	113.6	166.5	172.2	-8.7	0	0	0	108.3	A61 T62 G63 K64 Y66 H131 F133	D59-A61 PolarHBondContact O-N 3.06Å; D59-A61 WeakPolarHBondContact OD1-CB 3.42Å; D59-A61 PolarHBondContact OD1-N 2.79Å; D59-T62 WeakPolarHBondContact CB-OG1 3.38Å; D59-T62 PolarHBondContact O-N 3.49Å; D59-T62 PolarHBondContact OD1-N 3.39Å; D59-T62 WeakPolarHBondContact OD2-CG2 3.25Å; D59-T62 PolarHBondContact OD2-OG1 3.03Å; D59-G63 WeakPolarHBondContact O-CA 3.34Å; D59-G63 PolarHBondContact O-N 3.15Å; D59-K64 PolarHBondContact N-O 3.18Å; D59-Y66 HydrophobicContact CB-CE2 4.14Å; D59-H131 IonicContact OD2-CD2 3.77Å; D59-H131 IonicContact OD2-CE1 3.95Å; D59-H131 IonicContact OD2-NE2 2.9Å; D59-H131 PolarHBondContact OD2-NE2 2.91Å; D59-F133 HydrophobicContact CB-CB 4.28Å; D59-F133 HydrophobicContact CB-CD1 4.13Å; D59-F133 HydrophobicContact CB-CD2 3.78Å; D59-F133 HydrophobicContact CB-CE1 4.4Å; D59-F133 HydrophobicContact CB-CE2 4.06Å; D59-F133 HydrophobicContact CB-CG 3.8Å; D59-F133 HydrophobicContact CB-CZ 4.37Å
60	P	95.3	Very high	85	Confident	92 Å²	92	70.6 Å²	70.6	60%	0.597	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.6	-173.4	31.1	-35.5	0	0	0	113.3	T58 E134	T58-P60 WeakPolarHBondContact O-CD 3.37Å; P60-E134 WeakPolarHBondContact CD-O 3.46Å; P60-E134 WeakPolarHBondContact CG-O 3.49Å
61	A	94.4	Very high	87.3	Confident	94 Å²	94	69.7 Å²	69.7	78%	0.777	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-29.2	177.4	0	0	0	0	0	112.4	D59	D59-A61 PolarHBondContact O-N 3.06Å; D59-A61 WeakPolarHBondContact OD1-CB 3.42Å; D59-A61 PolarHBondContact OD1-N 2.79Å
62	T	94.4	Very high	89.1	Confident	86 Å²	86	69.1 Å²	69.1	53%	0.528	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-9.5	-177	64.5	0	0	0	0	114.3	D59 K64	D59-T62 WeakPolarHBondContact CB-OG1 3.38Å; D59-T62 PolarHBondContact O-N 3.49Å; D59-T62 PolarHBondContact OD1-N 3.39Å; D59-T62 WeakPolarHBondContact OD2-CG2 3.25Å; D59-T62 PolarHBondContact OD2-OG1 3.03Å; T62-K64 PolarHBondContact O-N 2.69Å; T62-K64 VanDerWaalsContact OG1-CB 3.25Å; T62-K64 WeakPolarHBondContact OG1-CB 3.47Å; T62-K64 PolarHBondContact OG1-N 2.94Å
63	G	94.2	Very high	90.4	Very high	51 Å²	51	63.3 Å²	63.3	53%	0.526	38%	0.379	S	S	.	.			trans	68.7	6.6	-172.1	0	0	0	0	0	113.9	D59	D59-G63 WeakPolarHBondContact O-CA 3.34Å; D59-G63 PolarHBondContact O-N 3.15Å
64	K	95.1	Very high	91.6	Very high	61 Å²	61	63.6 Å²	63.6	27%	0.265	38%	0.376	S	S	.	.			trans	-80.6	127	-170.5	-173.5	164.5	175.4	172.4	0	111.8	T58 D59 T62 Y66 D85	T58-K64 WeakPolarHBondContact CA-O 3.39Å; D59-K64 PolarHBondContact N-O 3.18Å; T62-K64 PolarHBondContact O-N 2.69Å; T62-K64 VanDerWaalsContact OG1-CB 3.25Å; T62-K64 WeakPolarHBondContact OG1-CB 3.47Å; T62-K64 PolarHBondContact OG1-N 2.94Å; K64-Y66 HydrophobicContact CB-CE2 4.24Å; K64-Y66 WeakPolarHBondContact CD-OH 3.22Å; K64-Y66 HydrophobicContact CG-CE2 4.04Å; K64-Y66 WeakPolarHBondContact O-CD2 3.39Å; K64-Y66 WeakPolarHBondContact O-CE2 3.17Å; K64-D85 WeakPolarHBondContact CE-OD1 3.33Å; K64-D85 WeakPolarHBondContact CE-OD2 3.35Å; K64-D85 VanDerWaalsContact NZ-CG 3.35Å; K64-D85 IonicContact NZ-OD1 3.52Å; K64-D85 IonicContact NZ-OD2 2.7Å; K64-D85 PolarHBondContact NZ-OD2 2.72Å
65	C	96.3	Very high	91.8	Very high	46 Å²	46	63 Å²	63	31%	0.311	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.4	-175.7	-63.9	0	0	0	0	113	I56 I57 T58 L86	I56-C65 HydrophobicContact CG2-CB 4.29Å; I57-C65 WeakPolarHBondContact O-CA 3.15Å; T58-C65 PolarHBondContact OG1-SG 2.88Å; C65-L86 HydrophobicContact CB-CD1 4.03Å; C65-L86 WeakPolarHBondContact O-CB 3.32Å; C65-L86 PolarHBondContact O-N 3.42Å
66	Y	96.9	Very high	91.3	Very high	7 Å²	7	62.2 Å²	62.2	3%	0.027	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.6	179.1	-53.9	-93.6	0	0	0	110.3	I56 I57 D59 K64 M83 T84 D85 F133 L142	I56-Y66 CarbonylContact C-O 3.41Å; I56-Y66 WeakPolarHBondContact CA-O 3.39Å; I57-Y66 PolarHBondContact N-O 3.3Å; I57-Y66 PolarHBondContact O-N 2.73Å; D59-Y66 HydrophobicContact CB-CE2 4.14Å; K64-Y66 HydrophobicContact CB-CE2 4.24Å; K64-Y66 WeakPolarHBondContact CD-OH 3.22Å; K64-Y66 HydrophobicContact CG-CE2 4.04Å; K64-Y66 WeakPolarHBondContact O-CD2 3.39Å; K64-Y66 WeakPolarHBondContact O-CE2 3.17Å; Y66-M83 HydrophobicContact CD1-CG 4.19Å; Y66-M83 HydrophobicContact CG-CG 4.2Å; Y66-T84 CarbonylContact C-O 3.38Å; Y66-T84 VanDerWaalsContact CA-O 3.25Å; Y66-T84 WeakPolarHBondContact CA-O 3.49Å; Y66-D85 HydrophobicContact CD1-CB 3.99Å; Y66-D85 HydrophobicContact CE1-CB 4.06Å; Y66-F133 HydrophobicContact CD2-CE1 4.15Å; Y66-F133 AromaticContact CD2-CZ 3.97Å; Y66-F133 HydrophobicContact CD2-CZ 3.97Å; Y66-F133 AromaticContact CE2-CE1 3.73Å; Y66-F133 HydrophobicContact CE2-CE1 3.73Å; Y66-F133 AromaticContact CE2-CZ 3.95Å; Y66-F133 HydrophobicContact CE2-CZ 3.95Å; Y66-L142 HydrophobicContact CD1-CD1 4.23Å; Y66-L142 HydrophobicContact CE1-CD1 3.55Å
67	C	96.9	Very high	90.5	Very high	35 Å²	35	62.3 Å²	62.3	24%	0.236	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.9	172.3	-176.8	0	0	0	0	111.2	I56 G69 M83 T84 L86	I56-C67 HydrophobicContact CD1-CB 3.91Å; C67-G69 PolarHBondContact O-N 3.26Å; C67-M83 WeakPolarHBondContact O-CA 3.35Å; C67-T84 PolarHBondContact N-O 3.11Å; C67-T84 PolarHBondContact O-N 3.03Å; C67-L86 HydrophobicContact CB-CD2 3.9Å; C67-L86 HydrophobicContact CB-CG 4.42Å
68	R	96.4	Very high	90.1	Very high	75 Å²	75	61.8 Å²	61.8	28%	0.283	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	108.8	178.2	-177.8	176.3	60.3	-170.6	-6.9	111.2	A54 R55 I57 Y81 M83	A54-R68 PolarHBondContact O-NH2 3.3Å; R55-R68 WeakPolarHBondContact O-CB 3.09Å; R55-R68 PolarHBondContact O-N 2.85Å; I57-R68 HydrophobicContact CD1-CB 3.99Å; R68-Y81 HydrophobicContact CG-CD1 3.5Å; R68-Y81 VanDerWaalsContact CG-CD1 3.5Å; R68-Y81 HydrophobicContact CG-CE1 3.95Å; R68-Y81 HydrophobicContact CG-CG 3.9Å; R68-M83 HydrophobicContact CB-CE 4.41Å; R68-M83 HydrophobicContact CB-SD 4.16Å
69	G	93.9	Very high	89.9	Confident	35 Å²	35	62.4 Å²	62.4	36%	0.361	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-147.8	175.5	0	0	0	0	0	113.9	C67 E82	C67-G69 PolarHBondContact O-N 3.26Å; G69-E82 PolarHBondContact N-O 3.37Å
70	K	92.6	Very high	89.8	Confident	128 Å²	128	64.1 Å²	64.1	56%	0.557	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	160	-174.9	71.1	-170.2	174.1	-84.9	0	112.8	Y81 E82	K70-Y81 WeakPolarHBondContact O-CA 3.38Å; K70-E82 WeakPolarHBondContact CE-OE1 3.34Å; K70-E82 HydrophobicContact CG-CG 4.3Å; K70-E82 WeakPolarHBondContact CG-OE2 2.97Å; K70-E82 IonicContact NZ-OE1 2.81Å; K70-E82 PolarHBondContact NZ-OE1 2.86Å; K70-E82 IonicContact NZ-OE2 2.94Å; K70-E82 PolarHBondContact NZ-OE2 3.49Å; K70-E82 PolarHBondContact O-N 3.06Å
71	V	93.1	Very high	89.8	Confident	74 Å²	74	61.3 Å²	61.3	45%	0.448	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127	175.1	-177.1	0	0	0	0	109.6	K79 Y81	V71-K79 HydrophobicContact CG1-CG 4.32Å; V71-K79 VanDerWaalsContact CG2-CE 3.49Å; V71-Y81 HydrophobicContact CG2-CD1 4.1Å; V71-Y81 HydrophobicContact CG2-CE1 3.68Å
72	L	88.6	Confident	89.9	Confident	64 Å²	64	57.9 Å²	57.9	34%	0.335	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-33	173	-65.4	177.9	0	0	0	112.2	C80 E82 A93 Y145	L72-C80 HydrophobicContact CB-CB 4.2Å; L72-C80 PolarHBondContact N-O 2.95Å; L72-E82 HydrophobicContact CD1-CG 3.93Å; L72-E82 HydrophobicContact CD2-CG 3.71Å; L72-E82 HydrophobicContact CG-CG 3.86Å; L72-A93 HydrophobicContact CD1-CB 3.91Å; L72-Y145 HydrophobicContact CD1-CD2 4.3Å; L72-Y145 HydrophobicContact CD1-CE2 4.35Å; L72-Y145 HydrophobicContact CD2-CE2 4.24Å
73	G	83.8	Confident	90	Very high	28 Å²	28	53.8 Å²	53.8	29%	0.289	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	-178.7	179.4	0	0	0	0	0	114.3	K79 C80	G73-K79 WeakPolarHBondContact O-CG 3.29Å; G73-C80 PolarHBondContact N-O 2.91Å; G73-C80 PolarHBondContact O-N 3.01Å
74	K	80.8	Confident	90.1	Very high	166 Å²	166	53.4 Å²	53.4	72%	0.722	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.8	126.2	174.5	179.8	-170.6	174.2	-169.4	0	107.7
75	G	68.6	Low	90.2	Very high	43 Å²	43	50.5 Å²	50.5	44%	0.443	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	127.4	-174.2	0	0	0	0	0	111.6	F77 A78	G75-F77 PolarHBondContact O-N 3.28Å; G75-A78 PolarHBondContact N-O 3.49Å; G75-A78 VanDerWaalsContact N-O 3.14Å; G75-A78 PolarHBondContact O-N 3.19Å
76	G	74	Confident	90.2	Very high	73 Å²	73	53 Å²	53	75%	0.753	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	-126.7	-176.6	0	0	0	0	0	112.7	A78	G76-A78 VanDerWaalsContact C-N 3.3Å; G76-A78 PolarHBondContact O-N 3.43Å
77	F	77.2	Confident	90.1	Very high	71 Å²	71	56.9 Å²	56.9	31%	0.311	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-24.7	177.1	-53.8	-76.9	0	0	0	113.2	G75 I97 R101 V102 Q107 I111	G75-F77 PolarHBondContact O-N 3.28Å; F77-I97 HydrophobicContact CB-CG2 4.17Å; F77-R101 HydrophobicContact CD1-CB 4.38Å; F77-R101 WeakPolarHBondContact CD1-O 3.42Å; F77-R101 WeakPolarHBondContact O-CD 3.46Å; F77-R101 PolarHBondContact O-NH1 2.65Å; F77-V102 HydrophobicContact CD1-CG1 4.5Å; F77-V102 HydrophobicContact CG-CG1 4.45Å; F77-Q107 HydrophobicContact CE1-CG 4.4Å; F77-Q107 HydrophobicContact CZ-CG 4.41Å; F77-I111 HydrophobicContact CD2-CD1 4.37Å
78	A	87.4	Confident	90	Very high	2 Å²	2	59.4 Å²	59.4	2%	0.017	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	163.2	-165.6	0	0	0	0	0	114.7	G75 G76 K95 I96 I97	G75-A78 PolarHBondContact N-O 3.49Å; G75-A78 VanDerWaalsContact N-O 3.14Å; G75-A78 PolarHBondContact O-N 3.19Å; G76-A78 VanDerWaalsContact C-N 3.3Å; G76-A78 PolarHBondContact O-N 3.43Å; A78-K95 HydrophobicContact CB-CD 4.26Å; A78-K95 HydrophobicContact CB-CG 3.49Å; A78-K95 VanDerWaalsContact CB-CG 3.49Å; A78-I96 WeakPolarHBondContact CA-O 3.18Å; A78-I97 HydrophobicContact CB-CD1 4.42Å; A78-I97 HydrophobicContact CB-CG1 3.63Å
79	K	91.6	Very high	90	Very high	77 Å²	77	58.3 Å²	58.3	34%	0.335	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.5	160.8	-169.5	178.7	172.6	-164.5	0	108.8	V71 G73 Y81 I96	V71-K79 HydrophobicContact CG1-CG 4.32Å; V71-K79 VanDerWaalsContact CG2-CE 3.49Å; G73-K79 WeakPolarHBondContact O-CG 3.29Å; K79-Y81 HydrophobicContact CB-CE2 3.97Å; K79-Y81 HydrophobicContact CD-CE2 3.62Å; K79-Y81 WeakPolarHBondContact CE-OH 3.32Å; K79-Y81 HydrophobicContact CG-CD2 4.26Å; K79-Y81 HydrophobicContact CG-CE2 3.62Å; K79-Y81 PolarHBondContact NZ-OH 3.37Å; K79-I96 PolarHBondContact N-O 2.83Å; K79-I96 PolarHBondContact O-N 3.41Å
80	C	93.7	Very high	90	Very high	38 Å²	38	60.7 Å²	60.7	26%	0.257	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.1	-174.2	-56.2	0	0	0	0	110.5	L72 G73 A94	L72-C80 HydrophobicContact CB-CB 4.2Å; L72-C80 PolarHBondContact N-O 2.95Å; G73-C80 PolarHBondContact N-O 2.91Å; G73-C80 PolarHBondContact O-N 3.01Å; C80-A94 CarbonylContact C-O 3.48Å; C80-A94 VanDerWaalsContact CA-O 3.27Å; C80-A94 WeakPolarHBondContact CA-O 3.16Å
81	Y	95.3	Very high	90.2	Very high	34 Å²	34	57.1 Å²	57.1	13%	0.133	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	158.6	-176.3	-74.1	-100.4	0	0	0	110.9	R68 K70 V71 K79 A94 I96	R68-Y81 HydrophobicContact CG-CD1 3.5Å; R68-Y81 VanDerWaalsContact CG-CD1 3.5Å; R68-Y81 HydrophobicContact CG-CE1 3.95Å; R68-Y81 HydrophobicContact CG-CG 3.9Å; K70-Y81 WeakPolarHBondContact O-CA 3.38Å; V71-Y81 HydrophobicContact CG2-CD1 4.1Å; V71-Y81 HydrophobicContact CG2-CE1 3.68Å; K79-Y81 HydrophobicContact CB-CE2 3.97Å; K79-Y81 HydrophobicContact CD-CE2 3.62Å; K79-Y81 WeakPolarHBondContact CE-OH 3.32Å; K79-Y81 HydrophobicContact CG-CD2 4.26Å; K79-Y81 HydrophobicContact CG-CE2 3.62Å; K79-Y81 PolarHBondContact NZ-OH 3.37Å; Y81-A94 PolarHBondContact N-O 3.16Å; Y81-A94 PolarHBondContact O-N 3.02Å; Y81-I96 HydrophobicContact CD2-CD1 3.51Å; Y81-I96 HydrophobicContact CD2-CG1 4.03Å; Y81-I96 HydrophobicContact CE2-CD1 3.98Å; Y81-I96 HydrophobicContact CG-CD1 4.08Å
82	E	96.1	Very high	90.5	Very high	22 Å²	22	54.6 Å²	54.6	10%	0.103	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	142.4	157.3	-67.7	176.8	176.5	0	0	109.4	G69 K70 L72 V91 Y145	G69-E82 PolarHBondContact N-O 3.37Å; K70-E82 WeakPolarHBondContact CE-OE1 3.34Å; K70-E82 HydrophobicContact CG-CG 4.3Å; K70-E82 WeakPolarHBondContact CG-OE2 2.97Å; K70-E82 IonicContact NZ-OE1 2.81Å; K70-E82 PolarHBondContact NZ-OE1 2.86Å; K70-E82 IonicContact NZ-OE2 2.94Å; K70-E82 PolarHBondContact NZ-OE2 3.49Å; K70-E82 PolarHBondContact O-N 3.06Å; L72-E82 HydrophobicContact CD1-CG 3.93Å; L72-E82 HydrophobicContact CD2-CG 3.71Å; L72-E82 HydrophobicContact CG-CG 3.86Å; E82-V91 HydrophobicContact CB-CG1 4.39Å; E82-Y145 HydrophobicContact CG-CD2 4.3Å; E82-Y145 HydrophobicContact CG-CE2 3.81Å; E82-Y145 VanDerWaalsContact OE1-CE2 3.32Å; E82-Y145 WeakPolarHBondContact OE1-CE2 3.23Å; E82-Y145 PolarHBondContact OE1-OH 2.95Å; E82-Y145 VanDerWaalsContact OE1-OH 3.05Å
83	M	96.9	Very high	90.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	114.8	-178.8	-167.9	71.7	76.2	0	0	108.8	I57 Y66 C67 R68 Y92 A94 I96 Y140 L142	I57-M83 HydrophobicContact CD1-CE 3.6Å; I57-M83 HydrophobicContact CD1-SD 4.06Å; Y66-M83 HydrophobicContact CD1-CG 4.19Å; Y66-M83 HydrophobicContact CG-CG 4.2Å; C67-M83 WeakPolarHBondContact O-CA 3.35Å; R68-M83 HydrophobicContact CB-CE 4.41Å; R68-M83 HydrophobicContact CB-SD 4.16Å; M83-Y92 PolarHBondContact N-O 2.86Å; M83-Y92 PolarHBondContact O-N 2.73Å; M83-A94 HydrophobicContact CB-CB 3.62Å; M83-A94 HydrophobicContact CE-CB 3.59Å; M83-A94 HydrophobicContact CG-CB 4.14Å; M83-I96 HydrophobicContact CE-CD1 3.95Å; M83-Y140 HydrophobicContact CE-CD1 4.34Å; M83-L142 HydrophobicContact CB-CD2 4.33Å; M83-L142 HydrophobicContact CG-CD2 4.06Å
84	T	97.6	Very high	91.5	Very high	43 Å²	43	51.2 Å²	51.2	26%	0.264	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.2	-179.9	-53.8	0	0	0	0	109.5	Y66 C67 L86 K90 V91	Y66-T84 CarbonylContact C-O 3.38Å; Y66-T84 VanDerWaalsContact CA-O 3.25Å; Y66-T84 WeakPolarHBondContact CA-O 3.49Å; C67-T84 PolarHBondContact N-O 3.11Å; C67-T84 PolarHBondContact O-N 3.03Å; T84-L86 PolarHBondContact O-N 3.07Å; T84-K90 WeakPolarHBondContact CA-O 3.37Å; T84-V91 HydrophobicContact CG2-CG2 4.43Å
85	D	97.1	Very high	92.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	117.7	169.8	170	9	0	0	0	110	K64 Y66 S87 T88 G89 K90 Y92	K64-D85 WeakPolarHBondContact CE-OD1 3.33Å; K64-D85 WeakPolarHBondContact CE-OD2 3.35Å; K64-D85 VanDerWaalsContact NZ-CG 3.35Å; K64-D85 IonicContact NZ-OD1 3.52Å; K64-D85 IonicContact NZ-OD2 2.7Å; K64-D85 PolarHBondContact NZ-OD2 2.72Å; Y66-D85 HydrophobicContact CD1-CB 3.99Å; Y66-D85 HydrophobicContact CE1-CB 4.06Å; D85-S87 VanDerWaalsContact C-N 3.27Å; D85-S87 PolarHBondContact O-N 2.9Å; D85-S87 PolarHBondContact OD1-N 3.48Å; D85-S87 PolarHBondContact OD1-OG 2.8Å; D85-T88 PolarHBondContact O-N 3.23Å; D85-T88 WeakPolarHBondContact OD2-CG2 3.3Å; D85-T88 PolarHBondContact OD2-OG1 2.85Å; D85-G89 WeakPolarHBondContact O-CA 3.27Å; D85-G89 PolarHBondContact O-N 2.95Å; D85-K90 PolarHBondContact N-O 2.84Å; D85-Y92 HydrophobicContact CB-CD2 4.41Å; D85-Y92 HydrophobicContact CB-CE2 3.69Å
86	L	95.8	Very high	93.5	Very high	97 Å²	97	42.6 Å²	42.6	51%	0.508	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.7	-175.6	-65.2	-178.5	0	0	0	113.5	I56 C65 C67 T84	I56-L86 HydrophobicContact CD1-CD1 4.22Å; I56-L86 HydrophobicContact CG2-CD1 4.45Å; C65-L86 HydrophobicContact CB-CD1 4.03Å; C65-L86 WeakPolarHBondContact O-CB 3.32Å; C65-L86 PolarHBondContact O-N 3.42Å; C67-L86 HydrophobicContact CB-CD2 3.9Å; C67-L86 HydrophobicContact CB-CG 4.42Å; T84-L86 PolarHBondContact O-N 3.07Å
87	S	95.1	Very high	94.6	Very high	89 Å²	89	39.1 Å²	39.1	62%	0.622	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-15.8	177.3	73	0	0	0	0	113.9	D85	D85-S87 VanDerWaalsContact C-N 3.27Å; D85-S87 PolarHBondContact O-N 2.9Å; D85-S87 PolarHBondContact OD1-N 3.48Å; D85-S87 PolarHBondContact OD1-OG 2.8Å
88	T	95.4	Very high	95.4	Very high	88 Å²	88	37.8 Å²	37.8	54%	0.54	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	-11	-178.7	66.5	0	0	0	0	114.8	D85 K90	D85-T88 PolarHBondContact O-N 3.23Å; D85-T88 WeakPolarHBondContact OD2-CG2 3.3Å; D85-T88 PolarHBondContact OD2-OG1 2.85Å; T88-K90 PolarHBondContact O-N 3.06Å; T88-K90 VanDerWaalsContact OG1-CB 3.32Å; T88-K90 WeakPolarHBondContact OG1-CB 3.44Å; T88-K90 PolarHBondContact OG1-N 3.33Å
89	G	94.5	Very high	95.8	Very high	52 Å²	52	40.2 Å²	40.2	54%	0.536	23%	0.233	S	C	.	.			trans	69.5	0.1	-170.8	0	0	0	0	0	114.4	D85	D85-G89 WeakPolarHBondContact O-CA 3.27Å; D85-G89 PolarHBondContact O-N 2.95Å
90	K	95.9	Very high	95.8	Very high	86 Å²	86	40.7 Å²	40.7	37%	0.374	25%	0.251	S	S	.	.			trans	-74	134.8	-174.9	-175.7	165.7	169.5	178.9	0	111.6	T84 D85 T88 Y92 Y130	T84-K90 WeakPolarHBondContact CA-O 3.37Å; D85-K90 PolarHBondContact N-O 2.84Å; T88-K90 PolarHBondContact O-N 3.06Å; T88-K90 VanDerWaalsContact OG1-CB 3.32Å; T88-K90 WeakPolarHBondContact OG1-CB 3.44Å; T88-K90 PolarHBondContact OG1-N 3.33Å; K90-Y92 HydrophobicContact CB-CE2 3.92Å; K90-Y92 HydrophobicContact CD-CE1 4.29Å; K90-Y92 HydrophobicContact CD-CE2 4.41Å; K90-Y92 WeakPolarHBondContact CD-OH 3.27Å; K90-Y92 HydrophobicContact CG-CE1 4.38Å; K90-Y92 HydrophobicContact CG-CE2 3.85Å; K90-Y92 WeakPolarHBondContact O-CD2 3.15Å; K90-Y92 VanDerWaalsContact O-CE2 3.3Å; K90-Y92 WeakPolarHBondContact O-CE2 3.36Å; K90-Y130 WeakPolarHBondContact CE-OH 3.36Å; K90-Y130 VanDerWaalsContact NZ-CZ 3.32Å; K90-Y130 PolarHBondContact NZ-OH 3.05Å
91	V	96.8	Very high	95.6	Very high	52 Å²	52	44.1 Å²	44.1	32%	0.315	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.3	179.6	-174	0	0	0	0	110.8	E82 T84 Y145	E82-V91 HydrophobicContact CB-CG1 4.39Å; T84-V91 HydrophobicContact CG2-CG2 4.43Å; V91-Y145 HydrophobicContact CB-CD1 4.31Å; V91-Y145 HydrophobicContact CG1-CD1 3.98Å; V91-Y145 HydrophobicContact CG1-CD2 4.23Å; V91-Y145 HydrophobicContact CG1-CE1 4.37Å; V91-Y145 HydrophobicContact CG1-CG 3.91Å; V91-Y145 WeakPolarHBondContact O-CB 3.47Å
92	Y	97.8	Very high	95.4	Very high	22 Å²	22	42.9 Å²	42.9	9%	0.086	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	158.2	178.1	-56.8	-93.9	0	0	0	110.4	M83 D85 K90 Y130 L142	M83-Y92 PolarHBondContact N-O 2.86Å; M83-Y92 PolarHBondContact O-N 2.73Å; D85-Y92 HydrophobicContact CB-CD2 4.41Å; D85-Y92 HydrophobicContact CB-CE2 3.69Å; K90-Y92 HydrophobicContact CB-CE2 3.92Å; K90-Y92 HydrophobicContact CD-CE1 4.29Å; K90-Y92 HydrophobicContact CD-CE2 4.41Å; K90-Y92 WeakPolarHBondContact CD-OH 3.27Å; K90-Y92 HydrophobicContact CG-CE1 4.38Å; K90-Y92 HydrophobicContact CG-CE2 3.85Å; K90-Y92 WeakPolarHBondContact O-CD2 3.15Å; K90-Y92 VanDerWaalsContact O-CE2 3.3Å; K90-Y92 WeakPolarHBondContact O-CE2 3.36Å; Y92-Y130 HydrophobicContact CD1-CD1 4.44Å; Y92-Y130 AromaticContact CD1-CD2 3.65Å; Y92-Y130 HydrophobicContact CD1-CD2 3.65Å; Y92-Y130 HydrophobicContact CD1-CE2 4.09Å; Y92-Y130 AromaticContact CD1-CG 3.83Å; Y92-Y130 HydrophobicContact CD1-CG 3.83Å; Y92-Y130 AromaticContact CE1-CD1 3.7Å; Y92-Y130 HydrophobicContact CE1-CD1 3.7Å; Y92-Y130 AromaticContact CE1-CD2 3.75Å; Y92-Y130 HydrophobicContact CE1-CD2 3.75Å; Y92-Y130 HydrophobicContact CE1-CE1 4.03Å; Y92-Y130 HydrophobicContact CE1-CE2 4.08Å; Y92-Y130 AromaticContact CE1-CG 3.52Å; Y92-Y130 HydrophobicContact CE1-CG 3.52Å; Y92-L142 HydrophobicContact CD1-CB 4.44Å
93	A	97.4	Very high	95.2	Very high	20 Å²	20	46.1 Å²	46.1	17%	0.165	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	111.5	163.8	0	0	0	0	0	108.6	L72 L143	L72-A93 HydrophobicContact CD1-CB 3.91Å; A93-L143 HydrophobicContact CB-CB 4.49Å; A93-L143 PolarHBondContact N-O 2.98Å; A93-L143 WeakPolarHBondContact O-CB 3.46Å; A93-L143 PolarHBondContact O-N 2.91Å
94	A	96.9	Very high	94.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.1	179.8	0	0	0	0	0	111.7	C80 Y81 M83 I96 I141 L142	C80-A94 CarbonylContact C-O 3.48Å; C80-A94 VanDerWaalsContact CA-O 3.27Å; C80-A94 WeakPolarHBondContact CA-O 3.16Å; Y81-A94 PolarHBondContact N-O 3.16Å; Y81-A94 PolarHBondContact O-N 3.02Å; M83-A94 HydrophobicContact CB-CB 3.62Å; M83-A94 HydrophobicContact CE-CB 3.59Å; M83-A94 HydrophobicContact CG-CB 4.14Å; A94-I96 HydrophobicContact CB-CG1 4.36Å; A94-I141 CarbonylContact C-O 3.58Å; A94-I141 WeakPolarHBondContact CA-O 3.32Å; A94-L142 HydrophobicContact CB-CD2 3.71Å
95	K	95.7	Very high	94.6	Very high	20 Å²	20	54.3 Å²	54.3	9%	0.087	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	108.3	168.7	-167.5	171.9	-176.2	175.5	0	107.4	A78 I97 E114 I141 D207	A78-K95 HydrophobicContact CB-CD 4.26Å; A78-K95 HydrophobicContact CB-CG 3.49Å; A78-K95 VanDerWaalsContact CB-CG 3.49Å; K95-I97 HydrophobicContact CG-CD1 4.42Å; K95-E114 IonicContact NZ-OE1 3.82Å; K95-E114 PolarHBondContact NZ-OE1 2.69Å; K95-E114 IonicContact NZ-OE2 3.24Å; K95-E114 PolarHBondContact NZ-OE2 3.29Å; K95-I141 HydrophobicContact CB-CB 4.27Å; K95-I141 PolarHBondContact N-O 3.32Å; K95-I141 PolarHBondContact O-N 3.1Å; K95-D207 IonicContact NZ-OD1 3.79Å; K95-D207 PolarHBondContact NZ-OD1 2.93Å
96	I	95.9	Very high	94.1	Very high	8 Å²	8	58.9 Å²	58.9	4%	0.041	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.9	-177.7	-47.5	-176.8	0	0	0	109.3	A78 K79 Y81 M83 A94 N138 Y140	A78-I96 WeakPolarHBondContact CA-O 3.18Å; K79-I96 PolarHBondContact N-O 2.83Å; K79-I96 PolarHBondContact O-N 3.41Å; Y81-I96 HydrophobicContact CD2-CD1 3.51Å; Y81-I96 HydrophobicContact CD2-CG1 4.03Å; Y81-I96 HydrophobicContact CE2-CD1 3.98Å; Y81-I96 HydrophobicContact CG-CD1 4.08Å; M83-I96 HydrophobicContact CE-CD1 3.95Å; A94-I96 HydrophobicContact CB-CG1 4.36Å; I96-N138 HydrophobicContact CG2-CB 3.89Å; I96-Y140 HydrophobicContact CB-CD1 4.42Å; I96-Y140 HydrophobicContact CB-CE1 4.47Å; I96-Y140 HydrophobicContact CD1-CD1 4.23Å; I96-Y140 HydrophobicContact CD1-CE1 4.02Å; I96-Y140 HydrophobicContact CG1-CD1 3.91Å; I96-Y140 HydrophobicContact CG1-CE1 4.1Å; I96-Y140 HydrophobicContact CG2-CD1 4Å; I96-Y140 HydrophobicContact CG2-CE1 3.67Å
97	I	95.6	Very high	93.7	Very high	1 Å²	1	56 Å²	56	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	105.7	-174.9	-58.6	156.1	0	0	0	109.3	F77 A78 K95 V102 I111 N138 I139 I141	F77-I97 HydrophobicContact CB-CG2 4.17Å; A78-I97 HydrophobicContact CB-CD1 4.42Å; A78-I97 HydrophobicContact CB-CG1 3.63Å; K95-I97 HydrophobicContact CG-CD1 4.42Å; I97-V102 HydrophobicContact CG2-CG1 3.85Å; I97-V102 HydrophobicContact CG2-CG2 4.46Å; I97-I111 HydrophobicContact CD1-CD1 3.87Å; I97-I111 HydrophobicContact CD1-CG1 4.18Å; I97-I111 HydrophobicContact CD1-CG2 3.75Å; I97-N138 WeakPolarHBondContact O-CA 3.36Å; I97-I139 HydrophobicContact CB-CB 4.3Å; I97-I139 PolarHBondContact N-O 3.33Å; I97-I139 PolarHBondContact O-N 3.05Å; I97-I141 HydrophobicContact CD1-CD1 4.35Å
98	P	95.3	Very high	93.5	Very high	43 Å²	43	54.8 Å²	54.8	28%	0.279	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	134.7	174.6	-23.3	30.3	0	0	0	112.9	A100 R101 E137 N138	P98-A100 PolarHBondContact O-N 2.83Å; P98-A100 VanDerWaalsContact O-N 3.16Å; P98-R101 HydrophobicContact CB-CG 4.42Å; P98-R101 WeakPolarHBondContact O-CB 3.3Å; P98-R101 PolarHBondContact O-N 2.58Å; P98-E137 CarbonylContact C-O 3.43Å; P98-E137 WeakPolarHBondContact CA-O 3.48Å; P98-N138 WeakPolarHBondContact CA-OD1 3.38Å; P98-N138 WeakPolarHBondContact CG-OD1 3.49Å
99	H	94.8	Very high	93.4	Very high	52 Å²	52	56 Å²	56	24%	0.241	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-53.6	-37.5	179.6	-69.3	-44.8	0	0	0	112.8	R101 V102 S103 E134 D135 E137	H99-R101 PolarHBondContact O-N 2.78Å; H99-V102 CarbonylContact O-C 3.54Å; H99-V102 WeakPolarHBondContact O-CG2 3.37Å; H99-V102 PolarHBondContact O-N 3.11Å; H99-S103 PolarHBondContact O-N 2.98Å; H99-E134 IonicContact CE1-OE2 3.91Å; H99-E134 PolarHBondContact CE1-OE2 2.84Å; H99-E134 VanDerWaalsContact CE1-OE2 3.3Å; H99-D135 PolarHBondContact NE2-O 2.86Å; H99-E137 PolarHBondContact CD2-O 2.93Å; H99-E137 PolarHBondContact N-O 2.79Å
100	A	92.9	Very high	93.1	Very high	87 Å²	87	58.9 Å²	58.9	72%	0.719	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-57.6	-18.8	176.7	0	0	0	0	0	114.3	P98 S103	P98-A100 PolarHBondContact O-N 2.83Å; P98-A100 VanDerWaalsContact O-N 3.16Å; A100-S103 PolarHBondContact O-OG 2.79Å
101	R	89.3	Confident	93	Very high	111 Å²	111	55.1 Å²	55.1	42%	0.419	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-91.5	-10.9	177	-64.2	-174.3	168.7	-154.9	-11.6	114.5	F77 P98 H99 Q107	F77-R101 HydrophobicContact CD1-CB 4.38Å; F77-R101 WeakPolarHBondContact CD1-O 3.42Å; F77-R101 WeakPolarHBondContact O-CD 3.46Å; F77-R101 PolarHBondContact O-NH1 2.65Å; P98-R101 HydrophobicContact CB-CG 4.42Å; P98-R101 WeakPolarHBondContact O-CB 3.3Å; P98-R101 PolarHBondContact O-N 2.58Å; H99-R101 PolarHBondContact O-N 2.78Å; R101-Q107 PolarHBondContact O-OE1 3.04Å
102	V	91.4	Very high	92.8	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.042	29%	0.29	C	S	.	.	S	Bend	trans	-127.1	23.4	-178.3	-64.7	0	0	0	0	111.6	F77 I97 H99 K104 Q107 I111 I139	F77-V102 HydrophobicContact CD1-CG1 4.5Å; F77-V102 HydrophobicContact CG-CG1 4.45Å; I97-V102 HydrophobicContact CG2-CG1 3.85Å; I97-V102 HydrophobicContact CG2-CG2 4.46Å; H99-V102 CarbonylContact O-C 3.54Å; H99-V102 WeakPolarHBondContact O-CG2 3.37Å; H99-V102 PolarHBondContact O-N 3.11Å; V102-K104 PolarHBondContact O-N 2.97Å; V102-K104 VanDerWaalsContact O-N 3.13Å; V102-Q107 HydrophobicContact CB-CB 4.23Å; V102-Q107 HydrophobicContact CG1-CB 4.31Å; V102-I111 HydrophobicContact CG1-CG1 3.92Å; V102-I139 HydrophobicContact CG2-CD1 4.04Å
103	S	90.3	Very high	92.6	Very high	91 Å²	91	57.7 Å²	57.7	64%	0.636	30%	0.298	S	S	*	.			trans	-66.3	-9.3	-178.2	52.6	0	0	0	0	114.7	H99 A100	H99-S103 PolarHBondContact O-N 2.98Å; A100-S103 PolarHBondContact O-OG 2.79Å
104	K	90.8	Very high	92.4	Very high	119 Å²	119	57.1 Å²	57.1	52%	0.517	29%	0.292	S	S	.	.	S	Bend	trans	-99.8	135.1	171.6	-54.7	-173.3	-179.5	-172.5	0	109.7	V102 H106 Q107 R108	V102-K104 PolarHBondContact O-N 2.97Å; V102-K104 VanDerWaalsContact O-N 3.13Å; K104-H106 PolarHBondContact O-N 2.88Å; K104-Q107 HydrophobicContact CB-CG 4.12Å; K104-Q107 WeakPolarHBondContact O-CA 3.43Å; K104-Q107 WeakPolarHBondContact O-CB 3.47Å; K104-Q107 PolarHBondContact O-N 3.01Å; K104-R108 PolarHBondContact O-N 2.83Å
105	P	91.3	Very high	92.4	Very high	95 Å²	95	57.5 Å²	57.5	62%	0.617	29%	0.294	S	S	*	.	H	α-helix	trans	-48.6	-50.8	-176.4	-31.6	36	0	0	0	114.4	Q107 R108 E109	P105-Q107 PolarHBondContact O-N 3.31Å; P105-R108 WeakPolarHBondContact O-CA 3.46Å; P105-R108 WeakPolarHBondContact O-CB 3.2Å; P105-R108 PolarHBondContact O-N 3.46Å; P105-E109 WeakPolarHBondContact CB-OE1 3.5Å; P105-E109 WeakPolarHBondContact O-CB 3.35Å; P105-E109 VanDerWaalsContact O-CG 3.29Å; P105-E109 WeakPolarHBondContact O-CG 3.18Å; P105-E109 PolarHBondContact O-N 3.26Å
106	H	86.5	Confident	92.4	Very high	96 Å²	96	60.5 Å²	60.5	44%	0.444	31%	0.308	S	S	.	.	H	α-helix	trans	-63.3	-6	177.8	72.8	-100.2	0	0	0	115.9	K104 E109 K110	K104-H106 PolarHBondContact O-N 2.88Å; H106-E109 PolarHBondContact N-OE1 2.84Å; H106-K110 WeakPolarHBondContact O-CD 3.4Å; H106-K110 WeakPolarHBondContact O-CE 3.44Å; H106-K110 WeakPolarHBondContact O-CG 3.49Å
107	Q	87.8	Confident	92.4	Very high	37 Å²	37	60.3 Å²	60.3	17%	0.173	31%	0.307	C	S	.	.	H	α-helix	trans	-96.2	-42.6	170.1	-60.6	175.6	-39.8	0	0	110.2	F77 R101 V102 K104 P105 K110	F77-Q107 HydrophobicContact CE1-CG 4.4Å; F77-Q107 HydrophobicContact CZ-CG 4.41Å; R101-Q107 PolarHBondContact O-OE1 3.04Å; V102-Q107 HydrophobicContact CB-CB 4.23Å; V102-Q107 HydrophobicContact CG1-CB 4.31Å; K104-Q107 HydrophobicContact CB-CG 4.12Å; K104-Q107 WeakPolarHBondContact O-CA 3.43Å; K104-Q107 WeakPolarHBondContact O-CB 3.47Å; K104-Q107 PolarHBondContact O-N 3.01Å; P105-Q107 PolarHBondContact O-N 3.31Å; Q107-K110 PolarHBondContact O-N 2.95Å
108	R	92.4	Very high	92.5	Very high	64 Å²	64	60.3 Å²	60.3	24%	0.242	31%	0.307	C	S	.	.	H	α-helix	trans	-61.2	-50	174.4	-178.8	61.2	-146.6	-141.8	6.6	111.5	K104 P105 K110 I111 D112 E134	K104-R108 PolarHBondContact O-N 2.83Å; P105-R108 WeakPolarHBondContact O-CA 3.46Å; P105-R108 WeakPolarHBondContact O-CB 3.2Å; P105-R108 PolarHBondContact O-N 3.46Å; R108-K110 PolarHBondContact O-N 3.23Å; R108-I111 WeakPolarHBondContact O-CA 3.47Å; R108-I111 WeakPolarHBondContact O-CB 3.32Å; R108-I111 PolarHBondContact O-N 2.93Å; R108-D112 WeakPolarHBondContact CG-OD2 3.43Å; R108-D112 IonicContact CZ-OD1 3.53Å; R108-D112 VanDerWaalsContact CZ-OD1 3.22Å; R108-D112 IonicContact NE-OD1 3.37Å; R108-D112 PolarHBondContact NE-OD1 3.13Å; R108-D112 IonicContact NE-OD2 3.79Å; R108-D112 PolarHBondContact NE-OD2 2.96Å; R108-D112 IonicContact NH2-OD1 3.77Å; R108-D112 PolarHBondContact NH2-OD1 3.01Å; R108-D112 PolarHBondContact O-N 3.22Å; R108-D112 VanDerWaalsContact O-OD2 3.13Å; R108-E134 IonicContact CZ-OE1 3.57Å; R108-E134 IonicContact CZ-OE2 3.36Å; R108-E134 VanDerWaalsContact NH1-CD 3.29Å; R108-E134 IonicContact NH1-OE1 2.67Å; R108-E134 PolarHBondContact NH1-OE1 2.85Å; R108-E134 VanDerWaalsContact NH1-OE1 3.15Å; R108-E134 IonicContact NH1-OE2 3.15Å; R108-E134 PolarHBondContact NH1-OE2 3.41Å; R108-E134 IonicContact NH2-OE1 2.68Å; R108-E134 PolarHBondContact NH2-OE1 2.82Å; R108-E134 IonicContact NH2-OE2 2.69Å
109	E	91.6	Very high	92.6	Very high	114 Å²	114	65.2 Å²	65.2	53%	0.533	32%	0.32	S	S	.	.	H	α-helix	trans	-49.7	-31.5	174.2	-71.6	159.7	-141.6	0	0	113.9	P105 H106 R113	P105-E109 WeakPolarHBondContact CB-OE1 3.5Å; P105-E109 WeakPolarHBondContact O-CB 3.35Å; P105-E109 VanDerWaalsContact O-CG 3.29Å; P105-E109 WeakPolarHBondContact O-CG 3.18Å; P105-E109 PolarHBondContact O-N 3.26Å; H106-E109 PolarHBondContact N-OE1 2.84Å; E109-R113 WeakPolarHBondContact O-CB 3.48Å; E109-R113 PolarHBondContact O-N 2.74Å
110	K	89.4	Confident	92.7	Very high	112 Å²	112	66.8 Å²	66.8	49%	0.487	33%	0.333	S	S	.	.	H	α-helix	trans	-74.5	-35.7	178.3	-67.9	174.9	-177.7	176.5	0	112.3	H106 Q107 R108 E114	H106-K110 WeakPolarHBondContact O-CD 3.4Å; H106-K110 WeakPolarHBondContact O-CE 3.44Å; H106-K110 WeakPolarHBondContact O-CG 3.49Å; Q107-K110 PolarHBondContact O-N 2.95Å; R108-K110 PolarHBondContact O-N 3.23Å; K110-E114 WeakPolarHBondContact O-CB 3.47Å; K110-E114 PolarHBondContact O-N 3.39Å
111	I	92.5	Very high	92.9	Very high	6 Å²	6	62.8 Å²	62.8	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-73.1	-42.9	175.2	-52.4	-47.8	0	0	0	109.6	F77 I97 V102 R108 R113 E114 I115 I139 I141	F77-I111 HydrophobicContact CD2-CD1 4.37Å; I97-I111 HydrophobicContact CD1-CD1 3.87Å; I97-I111 HydrophobicContact CD1-CG1 4.18Å; I97-I111 HydrophobicContact CD1-CG2 3.75Å; V102-I111 HydrophobicContact CG1-CG1 3.92Å; R108-I111 WeakPolarHBondContact O-CA 3.47Å; R108-I111 WeakPolarHBondContact O-CB 3.32Å; R108-I111 PolarHBondContact O-N 2.93Å; I111-R113 VanDerWaalsContact C-N 3.32Å; I111-R113 PolarHBondContact O-N 2.86Å; I111-E114 WeakPolarHBondContact O-CB 3.39Å; I111-E114 PolarHBondContact O-N 2.83Å; I111-E114 VanDerWaalsContact O-N 3.16Å; I111-I115 HydrophobicContact CG2-CD1 3.98Å; I111-I115 WeakPolarHBondContact O-CG1 3.21Å; I111-I115 PolarHBondContact O-N 3.4Å; I111-I139 HydrophobicContact CG2-CD1 4.14Å; I111-I139 HydrophobicContact CG2-CG2 4.42Å; I111-I141 HydrophobicContact CG2-CD1 4.23Å
112	D	94.1	Very high	93.3	Very high	61 Å²	61	64.5 Å²	64.5	33%	0.326	31%	0.312	S	S	.	.	H	α-helix	trans	-61.8	-40.6	177.1	-57.8	-39.1	0	0	0	111.4	R108 I115 E116	R108-D112 WeakPolarHBondContact CG-OD2 3.43Å; R108-D112 IonicContact CZ-OD1 3.53Å; R108-D112 VanDerWaalsContact CZ-OD1 3.22Å; R108-D112 IonicContact NE-OD1 3.37Å; R108-D112 PolarHBondContact NE-OD1 3.13Å; R108-D112 IonicContact NE-OD2 3.79Å; R108-D112 PolarHBondContact NE-OD2 2.96Å; R108-D112 IonicContact NH2-OD1 3.77Å; R108-D112 PolarHBondContact NH2-OD1 3.01Å; R108-D112 PolarHBondContact O-N 3.22Å; R108-D112 VanDerWaalsContact O-OD2 3.13Å; D112-I115 PolarHBondContact O-N 3.19Å; D112-E116 WeakPolarHBondContact O-CB 3.46Å; D112-E116 PolarHBondContact O-N 3.17Å
113	R	92.6	Very high	93.7	Very high	68 Å²	68	66.7 Å²	66.7	26%	0.257	32%	0.322	S	S	.	.	H	α-helix	trans	-68.5	-36.1	173.5	-172.6	-178.4	-177	91.6	-4	113.2	E109 I111 I115 E116 L117	E109-R113 WeakPolarHBondContact O-CB 3.48Å; E109-R113 PolarHBondContact O-N 2.74Å; I111-R113 VanDerWaalsContact C-N 3.32Å; I111-R113 PolarHBondContact O-N 2.86Å; R113-I115 VanDerWaalsContact C-N 3.33Å; R113-E116 PolarHBondContact O-N 2.92Å; R113-L117 HydrophobicContact CG-CD1 4Å; R113-L117 HydrophobicContact CG-CG 4.34Å; R113-L117 WeakPolarHBondContact O-CB 3.48Å; R113-L117 VanDerWaalsContact O-CG 3.3Å; R113-L117 WeakPolarHBondContact O-CG 3.32Å; R113-L117 PolarHBondContact O-N 2.75Å
114	E	94.3	Very high	94	Very high	7 Å²	7	68.1 Å²	68.1	3%	0.033	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-45.9	172.5	-173.5	-175.9	150.3	0	0	110.2	K95 K110 I111 H118 F208 G209	K95-E114 IonicContact NZ-OE1 3.82Å; K95-E114 PolarHBondContact NZ-OE1 2.69Å; K95-E114 IonicContact NZ-OE2 3.24Å; K95-E114 PolarHBondContact NZ-OE2 3.29Å; K110-E114 WeakPolarHBondContact O-CB 3.47Å; K110-E114 PolarHBondContact O-N 3.39Å; I111-E114 WeakPolarHBondContact O-CB 3.39Å; I111-E114 PolarHBondContact O-N 2.83Å; I111-E114 VanDerWaalsContact O-N 3.16Å; E114-H118 WeakPolarHBondContact O-CB 3.49Å; E114-H118 PolarHBondContact O-N 2.8Å; E114-F208 HydrophobicContact CG-CB 4.23Å; E114-G209 VanDerWaalsContact OE2-CA 3.29Å; E114-G209 WeakPolarHBondContact OE2-CA 3.48Å
115	I	96	Very high	94.4	Very high	8 Å²	8	62.9 Å²	62.9	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-47.7	176.3	-69	163.3	0	0	0	111.2	I111 D112 R113 L117 H118 R119 F129 H132 I141	I111-I115 HydrophobicContact CG2-CD1 3.98Å; I111-I115 WeakPolarHBondContact O-CG1 3.21Å; I111-I115 PolarHBondContact O-N 3.4Å; D112-I115 PolarHBondContact O-N 3.19Å; R113-I115 VanDerWaalsContact C-N 3.33Å; I115-L117 PolarHBondContact O-N 3.28Å; I115-H118 PolarHBondContact O-N 3.06Å; I115-R119 VanDerWaalsContact O-CB 3.22Å; I115-R119 WeakPolarHBondContact O-CB 3.45Å; I115-R119 WeakPolarHBondContact O-CD 3.29Å; I115-R119 WeakPolarHBondContact O-CG 3.32Å; I115-R119 PolarHBondContact O-N 3.46Å; I115-F129 HydrophobicContact CG1-CE2 4.36Å; I115-F129 HydrophobicContact CG2-CE2 4.38Å; I115-F129 HydrophobicContact CG2-CZ 3.99Å; I115-H132 HydrophobicContact CD1-CB 4.42Å; I115-I141 HydrophobicContact CD1-CD1 3.9Å; I115-I141 HydrophobicContact CD1-CG1 4.06Å; I115-I141 HydrophobicContact CG1-CD1 3.62Å; I115-I141 HydrophobicContact CG1-CG1 4.02Å
116	E	96.4	Very high	94.8	Very high	84 Å²	84	58.4 Å²	58.4	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-56.5	-47.8	-179.3	-170.7	-150.8	151.8	0	0	111.7	D112 R113	D112-E116 WeakPolarHBondContact O-CB 3.46Å; D112-E116 PolarHBondContact O-N 3.17Å; R113-E116 PolarHBondContact O-N 2.92Å
117	L	96.1	Very high	95.3	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-75.4	-40.3	-178.4	-65.9	176.6	0	0	0	112.3	R113 I115 V120 L121 I185 A211 K213	R113-L117 HydrophobicContact CG-CD1 4Å; R113-L117 HydrophobicContact CG-CG 4.34Å; R113-L117 WeakPolarHBondContact O-CB 3.48Å; R113-L117 VanDerWaalsContact O-CG 3.3Å; R113-L117 WeakPolarHBondContact O-CG 3.32Å; R113-L117 PolarHBondContact O-N 2.75Å; I115-L117 PolarHBondContact O-N 3.28Å; L117-V120 WeakPolarHBondContact O-CG2 3.28Å; L117-L121 WeakPolarHBondContact O-CG 3.4Å; L117-I185 HydrophobicContact CD2-CD1 4.16Å; L117-I185 HydrophobicContact CD2-CG1 4.3Å; L117-A211 HydrophobicContact CD1-CB 4.32Å; L117-K213 HydrophobicContact CD2-CG 3.91Å
118	H	97.8	Very high	95.8	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-79.5	-35.8	-173.4	-166.6	-174.1	0	0	0	112.8	E114 I115 V120 L121 V127 F129 L143 F208	E114-H118 WeakPolarHBondContact O-CB 3.49Å; E114-H118 PolarHBondContact O-N 2.8Å; I115-H118 PolarHBondContact O-N 3.06Å; H118-V120 PolarHBondContact O-N 3.18Å; H118-V120 VanDerWaalsContact O-N 3.08Å; H118-L121 PolarHBondContact O-N 2.92Å; H118-L121 VanDerWaalsContact O-N 3.07Å; H118-V127 PolarHBondContact NE2-O 2.76Å; H118-F129 HydrophobicContact CB-CD2 3.95Å; H118-F129 AromaticContact CG-CD2 3.86Å; H118-F129 AromaticContact ND1-CD2 3.88Å; H118-L143 VanDerWaalsContact CE1-CD2 3.48Å; H118-L143 WeakPolarHBondContact CE1-CD2 3.26Å; H118-F208 HydrophobicContact CB-CB 4.36Å; H118-F208 HydrophobicContact CB-CD2 4.11Å; H118-F208 HydrophobicContact CB-CG 4.34Å; H118-F208 AromaticContact CD2-CD2 3.56Å; H118-F208 AromaticContact CD2-CE2 3.55Å; H118-F208 AromaticContact CE1-CD2 3.68Å; H118-F208 AromaticContact CE1-CE2 3.9Å; H118-F208 AromaticContact CG-CD2 3.48Å; H118-F208 VanDerWaalsContact CG-CD2 3.48Å; H118-F208 AromaticContact CG-CE2 3.98Å; H118-F208 AromaticContact ND1-CD2 3.55Å; H118-F208 AromaticContact NE2-CD2 3.69Å; H118-F208 AromaticContact NE2-CE2 3.51Å
119	R	97.1	Very high	96.1	Very high	145 Å²	145	53 Å²	53	55%	0.547	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.5	-176.1	74.3	-169.6	177.7	159.1	1.4	115.2	I115 F129	I115-R119 VanDerWaalsContact O-CB 3.22Å; I115-R119 WeakPolarHBondContact O-CB 3.45Å; I115-R119 WeakPolarHBondContact O-CD 3.29Å; I115-R119 WeakPolarHBondContact O-CG 3.32Å; I115-R119 PolarHBondContact O-N 3.46Å; R119-F129 HydrophobicContact CB-CD1 3.74Å; R119-F129 HydrophobicContact CB-CD2 4.4Å; R119-F129 HydrophobicContact CB-CE1 3.7Å; R119-F129 HydrophobicContact CB-CE2 4.33Å; R119-F129 HydrophobicContact CB-CG 4.12Å; R119-F129 HydrophobicContact CB-CZ 4.01Å
120	V	96.3	Very high	96.4	Very high	85 Å²	85	51.7 Å²	51.7	52%	0.515	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-7.3	-179.5	-61.5	0	0	0	0	113.3	L117 H118 H122	L117-V120 WeakPolarHBondContact O-CG2 3.28Å; H118-V120 PolarHBondContact O-N 3.18Å; H118-V120 VanDerWaalsContact O-N 3.08Å; V120-H122 PolarHBondContact O-N 2.82Å
121	L	97.8	Very high	96.7	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	22%	0.223	C	C	.	.			trans	-84.5	117.1	-174.5	-58	177.8	0	0	0	111.4	L117 H118 I126 Y179 L180 I185 F208	L117-L121 WeakPolarHBondContact O-CG 3.4Å; H118-L121 PolarHBondContact O-N 2.92Å; H118-L121 VanDerWaalsContact O-N 3.07Å; L121-I126 HydrophobicContact CB-CG2 4.15Å; L121-I126 HydrophobicContact CD1-CG2 4.32Å; L121-Y179 HydrophobicContact CB-CE1 4.15Å; L121-Y179 HydrophobicContact CD2-CE1 3.87Å; L121-L180 HydrophobicContact CD1-CD2 3.7Å; L121-L180 HydrophobicContact CD2-CD2 4.11Å; L121-I185 HydrophobicContact CD2-CD1 3.97Å; L121-F208 HydrophobicContact CD1-CD1 4.15Å; L121-F208 HydrophobicContact CD1-CE1 3.57Å; L121-F208 HydrophobicContact CD1-CE2 4.06Å; L121-F208 HydrophobicContact CD1-CZ 3.53Å
122	H	97.6	Very high	96.9	Very high	146 Å²	146	51.9 Å²	51.9	68%	0.676	24%	0.236	S	C	*	.			trans	-131.3	88.7	177.6	-175.3	-78.7	0	0	0	110.9	V120 Y179	V120-H122 PolarHBondContact O-N 2.82Å; H122-Y179 PolarHBondContact N-OH 2.91Å
123	H	98.6	Very high	97.1	Very high	53 Å²	53	49.5 Å²	49.5	25%	0.245	22%	0.223	C	C	.	.			trans	-145.8	147.9	177.5	175.8	-113.4	0	0	0	111.5	N125 I126 S175 Y179	H123-N125 VanDerWaalsContact C-N 3.28Å; H123-N125 PolarHBondContact ND1-N 2.74Å; H123-N125 PolarHBondContact O-N 2.89Å; H123-I126 HydrophobicContact CB-CB 4.49Å; H123-I126 HydrophobicContact CB-CG1 4Å; H123-I126 PolarHBondContact O-N 3.44Å; H123-S175 PolarHBondContact CE1-O 3.08Å; H123-S175 VanDerWaalsContact CE1-O 3.28Å; H123-S175 PolarHBondContact CE1-OG 2.87Å; H123-S175 VanDerWaalsContact CE1-OG 3.29Å; H123-Y179 HydrophobicContact CB-CD1 3.34Å; H123-Y179 HydrophobicContact CB-CD2 3.94Å; H123-Y179 HydrophobicContact CB-CE1 3.57Å; H123-Y179 HydrophobicContact CB-CE2 4.16Å; H123-Y179 HydrophobicContact CB-CG 3.52Å; H123-Y179 AromaticContact CG-CD1 3.92Å; H123-Y179 AromaticContact CG-CG 3.7Å
124	K	98.1	Very high	97.3	Very high	122 Å²	122	49.3 Å²	49.3	53%	0.53	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-45	-173.3	179.3	173.8	178.5	174.6	0	112.8	E202 K204	K124-E202 WeakPolarHBondContact CE-OE1 3.19Å; K124-E202 IonicContact NZ-OE1 2.73Å; K124-E202 PolarHBondContact NZ-OE1 2.81Å; K124-K204 VanDerWaalsContact O-CD 3.27Å; K124-K204 WeakPolarHBondContact O-CD 3.11Å; K124-K204 WeakPolarHBondContact O-CE 3.27Å; K124-K204 PolarHBondContact O-NZ 3.05Å
125	N	98.7	Very high	97.3	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.043	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	16.8	-175.5	-63.8	114.2	0	0	0	114.4	H123 Q172 S175 L203 K204 V205	H123-N125 VanDerWaalsContact C-N 3.28Å; H123-N125 PolarHBondContact ND1-N 2.74Å; H123-N125 PolarHBondContact O-N 2.89Å; N125-Q172 WeakPolarHBondContact CB-O 3.41Å; N125-Q172 WeakPolarHBondContact ND2-CB 3.36Å; N125-Q172 PolarHBondContact ND2-OE1 3.11Å; N125-S175 PolarHBondContact OD1-OG 3.17Å; N125-L203 WeakPolarHBondContact CA-O 3.29Å; N125-L203 PolarHBondContact ND2-O 3.18Å; N125-K204 CarbonylContact O-C 3.52Å; N125-K204 WeakPolarHBondContact O-CA 3.06Å; N125-V205 PolarHBondContact O-N 3.35Å
126	I	98.6	Very high	97.3	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-108	140.9	168.5	-57.7	-56.4	0	0	0	108.9	L121 H123 H128 Y179 L180 K204 V205 F208	L121-I126 HydrophobicContact CB-CG2 4.15Å; L121-I126 HydrophobicContact CD1-CG2 4.32Å; H123-I126 HydrophobicContact CB-CB 4.49Å; H123-I126 HydrophobicContact CB-CG1 4Å; H123-I126 PolarHBondContact O-N 3.44Å; I126-H128 PolarHBondContact O-N 3.23Å; I126-Y179 HydrophobicContact CG1-CD1 3.95Å; I126-Y179 HydrophobicContact CG1-CE1 4.4Å; I126-L180 HydrophobicContact CD1-CD1 4.07Å; I126-L180 HydrophobicContact CD1-CD2 3.95Å; I126-L180 HydrophobicContact CD1-CG 3.89Å; I126-L180 HydrophobicContact CG1-CD2 4.41Å; I126-K204 WeakPolarHBondContact O-CD 3.46Å; I126-V205 HydrophobicContact CD1-CB 3.89Å; I126-V205 HydrophobicContact CD1-CG2 4.31Å; I126-F208 HydrophobicContact CD1-CZ 4.5Å; I126-F208 HydrophobicContact CG2-CE2 3.95Å; I126-F208 HydrophobicContact CG2-CZ 3.79Å
127	V	98.4	Very high	97.2	Very high	6 Å²	6	63.4 Å²	63.4	4%	0.036	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-57.3	116.7	169.9	168.9	0	0	0	0	108.2	H118 L143 E144 F196 K204 V205	H118-V127 PolarHBondContact NE2-O 2.76Å; V127-L143 HydrophobicContact CG1-CB 3.94Å; V127-L143 HydrophobicContact CG1-CD1 4.46Å; V127-E144 HydrophobicContact CG1-CB 4.08Å; V127-F196 HydrophobicContact CG2-CB 4.34Å; V127-F196 HydrophobicContact CG2-CD2 3.71Å; V127-F196 HydrophobicContact CG2-CE2 4.47Å; V127-F196 HydrophobicContact CG2-CG 4.3Å; V127-K204 HydrophobicContact CG2-CB 3.62Å; V127-V205 WeakPolarHBondContact CG2-O 3.25Å; V127-V205 PolarHBondContact N-O 2.93Å
128	H	98.3	Very high	97.2	Very high	61 Å²	61	64.2 Å²	64.2	28%	0.282	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-69.5	135.9	-179.6	-175.3	56.5	0	0	0	111.8	I126 Y130 L143 E144	I126-H128 PolarHBondContact O-N 3.23Å; H128-Y130 HydrophobicContact CB-CE2 4.46Å; H128-Y130 AromaticContact CD2-CD1 3.89Å; H128-Y130 AromaticContact CD2-CD2 3.96Å; H128-Y130 AromaticContact CD2-CE1 3.66Å; H128-Y130 AromaticContact CD2-CE2 3.73Å; H128-Y130 AromaticContact CD2-CZ 3.6Å; H128-L143 WeakPolarHBondContact O-CA 3.47Å; H128-E144 HydrophobicContact CB-CB 4.21Å; H128-E144 PolarHBondContact N-OE2 2.62Å; H128-E144 PolarHBondContact O-N 3.1Å
129	F	98.4	Very high	97.1	Very high	16 Å²	16	64.1 Å²	64.1	7%	0.07	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.1	172.9	-175.9	-73	0	0	0	109	I115 H118 R119 H132 I141 L143	I115-F129 HydrophobicContact CG1-CE2 4.36Å; I115-F129 HydrophobicContact CG2-CE2 4.38Å; I115-F129 HydrophobicContact CG2-CZ 3.99Å; H118-F129 HydrophobicContact CB-CD2 3.95Å; H118-F129 AromaticContact CG-CD2 3.86Å; H118-F129 AromaticContact ND1-CD2 3.88Å; R119-F129 HydrophobicContact CB-CD1 3.74Å; R119-F129 HydrophobicContact CB-CD2 4.4Å; R119-F129 HydrophobicContact CB-CE1 3.7Å; R119-F129 HydrophobicContact CB-CE2 4.33Å; R119-F129 HydrophobicContact CB-CG 4.12Å; R119-F129 HydrophobicContact CB-CZ 4.01Å; F129-H132 HydrophobicContact CZ-CB 3.99Å; F129-I141 HydrophobicContact CD2-CG2 3.97Å; F129-I141 HydrophobicContact CE2-CG2 3.39Å; F129-I141 HydrophobicContact CZ-CG2 3.96Å; F129-L143 HydrophobicContact CB-CD2 4.17Å; F129-L143 HydrophobicContact CD2-CD2 3.75Å; F129-L143 HydrophobicContact CG-CD2 4.18Å
130	Y	97.2	Very high	97.2	Very high	87 Å²	87	57.5 Å²	57.5	34%	0.341	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-49.4	-176.3	-79.5	-83.5	0	0	0	113.9	K90 Y92 H128 L142 E144	K90-Y130 WeakPolarHBondContact CE-OH 3.36Å; K90-Y130 VanDerWaalsContact NZ-CZ 3.32Å; K90-Y130 PolarHBondContact NZ-OH 3.05Å; Y92-Y130 HydrophobicContact CD1-CD1 4.44Å; Y92-Y130 AromaticContact CD1-CD2 3.65Å; Y92-Y130 HydrophobicContact CD1-CD2 3.65Å; Y92-Y130 HydrophobicContact CD1-CE2 4.09Å; Y92-Y130 AromaticContact CD1-CG 3.83Å; Y92-Y130 HydrophobicContact CD1-CG 3.83Å; Y92-Y130 AromaticContact CE1-CD1 3.7Å; Y92-Y130 HydrophobicContact CE1-CD1 3.7Å; Y92-Y130 AromaticContact CE1-CD2 3.75Å; Y92-Y130 HydrophobicContact CE1-CD2 3.75Å; Y92-Y130 HydrophobicContact CE1-CE1 4.03Å; Y92-Y130 HydrophobicContact CE1-CE2 4.08Å; Y92-Y130 AromaticContact CE1-CG 3.52Å; Y92-Y130 HydrophobicContact CE1-CG 3.52Å; H128-Y130 HydrophobicContact CB-CE2 4.46Å; H128-Y130 AromaticContact CD2-CD1 3.89Å; H128-Y130 AromaticContact CD2-CD2 3.96Å; H128-Y130 AromaticContact CD2-CE1 3.66Å; H128-Y130 AromaticContact CD2-CE2 3.73Å; H128-Y130 AromaticContact CD2-CZ 3.6Å; Y130-L142 WeakPolarHBondContact CB-O 3.25Å; Y130-L142 PolarHBondContact N-O 2.87Å; Y130-E144 HydrophobicContact CE2-CB 4.17Å
131	H	96.3	Very high	97.2	Very high	59 Å²	59	53.5 Å²	53.5	27%	0.273	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	161.7	-173.5	-171.4	31.9	0	0	0	110.7	D59 F133 L142	D59-H131 IonicContact OD2-CD2 3.77Å; D59-H131 IonicContact OD2-CE1 3.95Å; D59-H131 IonicContact OD2-NE2 2.9Å; D59-H131 PolarHBondContact OD2-NE2 2.91Å; H131-F133 AromaticContact CD2-CD1 3.86Å; H131-L142 HydrophobicContact CB-CB 4.43Å; H131-L142 HydrophobicContact CB-CD1 4.31Å; H131-L142 PolarHBondContact N-O 3.17Å; H131-L142 PolarHBondContact O-N 3.49Å
132	H	97.4	Very high	97.2	Very high	64 Å²	64	53.4 Å²	53.4	30%	0.296	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145.6	162.9	70.1	-56.2	0	0	0	110.3	I115 F129 Y140 I141	I115-H132 HydrophobicContact CD1-CB 4.42Å; F129-H132 HydrophobicContact CZ-CB 3.99Å; H132-Y140 CarbonylContact C-O 3.41Å; H132-Y140 WeakPolarHBondContact CA-O 3.48Å; H132-Y140 WeakPolarHBondContact CB-O 3.48Å; H132-I141 HydrophobicContact CB-CG1 4.37Å
133	F	97.6	Very high	97.2	Very high	10 Å²	10	47.4 Å²	47.4	4%	0.044	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	169.8	175.9	66.8	-88.6	0	0	0	110	I57 D59 Y66 H131 Y140 L142	I57-F133 HydrophobicContact CG2-CE2 3.79Å; I57-F133 HydrophobicContact CG2-CZ 3.85Å; D59-F133 HydrophobicContact CB-CB 4.28Å; D59-F133 HydrophobicContact CB-CD1 4.13Å; D59-F133 HydrophobicContact CB-CD2 3.78Å; D59-F133 HydrophobicContact CB-CE1 4.4Å; D59-F133 HydrophobicContact CB-CE2 4.06Å; D59-F133 HydrophobicContact CB-CG 3.8Å; D59-F133 HydrophobicContact CB-CZ 4.37Å; Y66-F133 HydrophobicContact CD2-CE1 4.15Å; Y66-F133 AromaticContact CD2-CZ 3.97Å; Y66-F133 HydrophobicContact CD2-CZ 3.97Å; Y66-F133 AromaticContact CE2-CE1 3.73Å; Y66-F133 HydrophobicContact CE2-CE1 3.73Å; Y66-F133 AromaticContact CE2-CZ 3.95Å; Y66-F133 HydrophobicContact CE2-CZ 3.95Å; H131-F133 AromaticContact CD2-CD1 3.86Å; F133-Y140 AromaticContact CD2-CD2 3.66Å; F133-Y140 HydrophobicContact CD2-CD2 3.66Å; F133-Y140 HydrophobicContact CD2-CE2 4.35Å; F133-Y140 HydrophobicContact CD2-CG 4.27Å; F133-Y140 HydrophobicContact CE1-CG 4.24Å; F133-Y140 AromaticContact CE2-CD2 3.28Å; F133-Y140 HydrophobicContact CE2-CD2 3.28Å; F133-Y140 AromaticContact CE2-CE2 3.79Å; F133-Y140 HydrophobicContact CE2-CE2 3.79Å; F133-Y140 AromaticContact CE2-CG 3.71Å; F133-Y140 HydrophobicContact CE2-CG 3.71Å; F133-Y140 HydrophobicContact CG-CD2 4.44Å; F133-Y140 HydrophobicContact CZ-CD1 4.3Å; F133-Y140 AromaticContact CZ-CD2 3.79Å; F133-Y140 HydrophobicContact CZ-CD2 3.79Å; F133-Y140 HydrophobicContact CZ-CE2 4.46Å; F133-Y140 AromaticContact CZ-CG 3.69Å; F133-Y140 HydrophobicContact CZ-CG 3.69Å; F133-Y140 PolarHBondContact N-O 2.89Å; F133-Y140 PolarHBondContact O-N 2.78Å; F133-L142 HydrophobicContact CE1-CD1 4.31Å; F133-L142 HydrophobicContact CE1-CG 4.44Å
134	E	96.9	Very high	97.2	Very high	64 Å²	64	46.8 Å²	46.8	30%	0.299	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.9	-176.2	-56.7	-173.9	-149.6	0	0	109.9	P60 H99 R108 N138 I139	P60-E134 WeakPolarHBondContact CD-O 3.46Å; P60-E134 WeakPolarHBondContact CG-O 3.49Å; H99-E134 IonicContact CE1-OE2 3.91Å; H99-E134 PolarHBondContact CE1-OE2 2.84Å; H99-E134 VanDerWaalsContact CE1-OE2 3.3Å; R108-E134 IonicContact CZ-OE1 3.57Å; R108-E134 IonicContact CZ-OE2 3.36Å; R108-E134 VanDerWaalsContact NH1-CD 3.29Å; R108-E134 IonicContact NH1-OE1 2.67Å; R108-E134 PolarHBondContact NH1-OE1 2.85Å; R108-E134 VanDerWaalsContact NH1-OE1 3.15Å; R108-E134 IonicContact NH1-OE2 3.15Å; R108-E134 PolarHBondContact NH1-OE2 3.41Å; R108-E134 IonicContact NH2-OE1 2.68Å; R108-E134 PolarHBondContact NH2-OE1 2.82Å; R108-E134 IonicContact NH2-OE2 2.69Å; E134-N138 WeakPolarHBondContact CA-O 3.48Å; E134-I139 HydrophobicContact CG-CB 4.3Å; E134-I139 HydrophobicContact CG-CG1 4.13Å; E134-I139 HydrophobicContact CG-CG2 4.09Å
135	D	94.9	Very high	97.2	Very high	46 Å²	46	44.3 Å²	44.3	25%	0.246	20%	0.201	C	C	.	.			trans	-112.3	-167.4	167.1	72.6	23.4	0	0	0	110.8	H99 E137 N138 Y140	H99-D135 PolarHBondContact NE2-O 2.86Å; D135-E137 PolarHBondContact O-N 3.14Å; D135-E137 WeakPolarHBondContact OD1-CA 3.45Å; D135-E137 PolarHBondContact OD1-N 3.44Å; D135-N138 PolarHBondContact N-O 3.38Å; D135-N138 PolarHBondContact OD1-N 3.02Å; D135-Y140 HydrophobicContact CB-CE2 4.15Å; D135-Y140 WeakPolarHBondContact OD2-CE2 3.4Å; D135-Y140 VanDerWaalsContact OD2-CZ 3.29Å; D135-Y140 PolarHBondContact OD2-OH 2.89Å
136	K	94.7	Very high	97.1	Very high	208 Å²	208	44.5 Å²	44.5	90%	0.904	20%	0.203	S	C	*	.	S	Bend	trans	-66.5	-17.4	-178.8	-62.8	179.2	-179.2	177.3	0	113.9
137	E	94	Very high	97	Very high	141 Å²	141	46.3 Å²	46.3	66%	0.659	22%	0.215	S	C	*	.	S	Bend	trans	-120.5	-32	-173.2	-69.8	-175.5	-169.1	0	0	113.6	P98 H99 D135	P98-E137 CarbonylContact C-O 3.43Å; P98-E137 WeakPolarHBondContact CA-O 3.48Å; H99-E137 PolarHBondContact CD2-O 2.93Å; H99-E137 PolarHBondContact N-O 2.79Å; D135-E137 PolarHBondContact O-N 3.14Å; D135-E137 WeakPolarHBondContact OD1-CA 3.45Å; D135-E137 PolarHBondContact OD1-N 3.44Å
138	N	96.6	Very high	96.8	Very high	21 Å²	21	49 Å²	49	11%	0.112	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151.8	-167	-52.4	-89.8	0	0	0	114.2	I96 I97 P98 E134 D135 Y140	I96-N138 HydrophobicContact CG2-CB 3.89Å; I97-N138 WeakPolarHBondContact O-CA 3.36Å; P98-N138 WeakPolarHBondContact CA-OD1 3.38Å; P98-N138 WeakPolarHBondContact CG-OD1 3.49Å; E134-N138 WeakPolarHBondContact CA-O 3.48Å; D135-N138 PolarHBondContact N-O 3.38Å; D135-N138 PolarHBondContact OD1-N 3.02Å; N138-Y140 HydrophobicContact CB-CD2 4.48Å; N138-Y140 HydrophobicContact CB-CE1 4.28Å; N138-Y140 HydrophobicContact CB-CE2 3.81Å; N138-Y140 PolarHBondContact ND2-OH 2.86Å
139	I	96.8	Very high	96.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	138	160.1	-49.6	169.4	0	0	0	108.6	I97 V102 I111 E134	I97-I139 HydrophobicContact CB-CB 4.3Å; I97-I139 PolarHBondContact N-O 3.33Å; I97-I139 PolarHBondContact O-N 3.05Å; V102-I139 HydrophobicContact CG2-CD1 4.04Å; I111-I139 HydrophobicContact CG2-CD1 4.14Å; I111-I139 HydrophobicContact CG2-CG2 4.42Å; E134-I139 HydrophobicContact CG-CB 4.3Å; E134-I139 HydrophobicContact CG-CG1 4.13Å; E134-I139 HydrophobicContact CG-CG2 4.09Å
140	Y	97.3	Very high	96.6	Very high	6 Å²	6	51.2 Å²	51.2	2%	0.024	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.8	176.6	-57.5	-88.9	0	0	0	110.3	I57 M83 I96 H132 F133 D135 N138	I57-Y140 HydrophobicContact CD1-CE1 3.76Å; I57-Y140 HydrophobicContact CG1-CE1 4.37Å; I57-Y140 HydrophobicContact CG2-CD1 4.42Å; I57-Y140 HydrophobicContact CG2-CE1 3.87Å; I57-Y140 HydrophobicContact CG2-CE2 4.01Å; M83-Y140 HydrophobicContact CE-CD1 4.34Å; I96-Y140 HydrophobicContact CB-CD1 4.42Å; I96-Y140 HydrophobicContact CB-CE1 4.47Å; I96-Y140 HydrophobicContact CD1-CD1 4.23Å; I96-Y140 HydrophobicContact CD1-CE1 4.02Å; I96-Y140 HydrophobicContact CG1-CD1 3.91Å; I96-Y140 HydrophobicContact CG1-CE1 4.1Å; I96-Y140 HydrophobicContact CG2-CD1 4Å; I96-Y140 HydrophobicContact CG2-CE1 3.67Å; H132-Y140 CarbonylContact C-O 3.41Å; H132-Y140 WeakPolarHBondContact CA-O 3.48Å; H132-Y140 WeakPolarHBondContact CB-O 3.48Å; F133-Y140 AromaticContact CD2-CD2 3.66Å; F133-Y140 HydrophobicContact CD2-CD2 3.66Å; F133-Y140 HydrophobicContact CD2-CE2 4.35Å; F133-Y140 HydrophobicContact CD2-CG 4.27Å; F133-Y140 HydrophobicContact CE1-CG 4.24Å; F133-Y140 AromaticContact CE2-CD2 3.28Å; F133-Y140 HydrophobicContact CE2-CD2 3.28Å; F133-Y140 AromaticContact CE2-CE2 3.79Å; F133-Y140 HydrophobicContact CE2-CE2 3.79Å; F133-Y140 AromaticContact CE2-CG 3.71Å; F133-Y140 HydrophobicContact CE2-CG 3.71Å; F133-Y140 HydrophobicContact CG-CD2 4.44Å; F133-Y140 HydrophobicContact CZ-CD1 4.3Å; F133-Y140 AromaticContact CZ-CD2 3.79Å; F133-Y140 HydrophobicContact CZ-CD2 3.79Å; F133-Y140 HydrophobicContact CZ-CE2 4.46Å; F133-Y140 AromaticContact CZ-CG 3.69Å; F133-Y140 HydrophobicContact CZ-CG 3.69Å; F133-Y140 PolarHBondContact N-O 2.89Å; F133-Y140 PolarHBondContact O-N 2.78Å; D135-Y140 HydrophobicContact CB-CE2 4.15Å; D135-Y140 WeakPolarHBondContact OD2-CE2 3.4Å; D135-Y140 VanDerWaalsContact OD2-CZ 3.29Å; D135-Y140 PolarHBondContact OD2-OH 2.89Å; N138-Y140 HydrophobicContact CB-CD2 4.48Å; N138-Y140 HydrophobicContact CB-CE1 4.28Å; N138-Y140 HydrophobicContact CB-CE2 3.81Å; N138-Y140 PolarHBondContact ND2-OH 2.86Å
141	I	97.4	Very high	96.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.3	171.2	-51.9	170.8	0	0	0	108.1	A94 K95 I97 I111 I115 F129 H132 L143	A94-I141 CarbonylContact C-O 3.58Å; A94-I141 WeakPolarHBondContact CA-O 3.32Å; K95-I141 HydrophobicContact CB-CB 4.27Å; K95-I141 PolarHBondContact N-O 3.32Å; K95-I141 PolarHBondContact O-N 3.1Å; I97-I141 HydrophobicContact CD1-CD1 4.35Å; I111-I141 HydrophobicContact CG2-CD1 4.23Å; I115-I141 HydrophobicContact CD1-CD1 3.9Å; I115-I141 HydrophobicContact CD1-CG1 4.06Å; I115-I141 HydrophobicContact CG1-CD1 3.62Å; I115-I141 HydrophobicContact CG1-CG1 4.02Å; F129-I141 HydrophobicContact CD2-CG2 3.97Å; F129-I141 HydrophobicContact CE2-CG2 3.39Å; F129-I141 HydrophobicContact CZ-CG2 3.96Å; H132-I141 HydrophobicContact CB-CG1 4.37Å; I141-L143 HydrophobicContact CG2-CD2 3.84Å; I141-L143 HydrophobicContact CG2-CG 4.17Å
142	L	97.7	Very high	96.7	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119.7	-179.5	-58.9	-172.5	0	0	0	110.7	Y66 M83 Y92 A94 Y130 H131 F133	Y66-L142 HydrophobicContact CD1-CD1 4.23Å; Y66-L142 HydrophobicContact CE1-CD1 3.55Å; M83-L142 HydrophobicContact CB-CD2 4.33Å; M83-L142 HydrophobicContact CG-CD2 4.06Å; Y92-L142 HydrophobicContact CD1-CB 4.44Å; A94-L142 HydrophobicContact CB-CD2 3.71Å; Y130-L142 WeakPolarHBondContact CB-O 3.25Å; Y130-L142 PolarHBondContact N-O 2.87Å; H131-L142 HydrophobicContact CB-CB 4.43Å; H131-L142 HydrophobicContact CB-CD1 4.31Å; H131-L142 PolarHBondContact N-O 3.17Å; H131-L142 PolarHBondContact O-N 3.49Å; F133-L142 HydrophobicContact CE1-CD1 4.31Å; F133-L142 HydrophobicContact CE1-CG 4.44Å
143	L	97.9	Very high	96.6	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.099	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	166	-175.5	-57.6	-179.3	0	0	0	111.7	A93 H118 V127 H128 F129 I141 Y145	A93-L143 HydrophobicContact CB-CB 4.49Å; A93-L143 PolarHBondContact N-O 2.98Å; A93-L143 WeakPolarHBondContact O-CB 3.46Å; A93-L143 PolarHBondContact O-N 2.91Å; H118-L143 VanDerWaalsContact CE1-CD2 3.48Å; H118-L143 WeakPolarHBondContact CE1-CD2 3.26Å; V127-L143 HydrophobicContact CG1-CB 3.94Å; V127-L143 HydrophobicContact CG1-CD1 4.46Å; H128-L143 WeakPolarHBondContact O-CA 3.47Å; F129-L143 HydrophobicContact CB-CD2 4.17Å; F129-L143 HydrophobicContact CD2-CD2 3.75Å; F129-L143 HydrophobicContact CG-CD2 4.18Å; I141-L143 HydrophobicContact CG2-CD2 3.84Å; I141-L143 HydrophobicContact CG2-CG 4.17Å; L143-Y145 PolarHBondContact O-N 2.77Å
144	E	97.9	Very high	96.6	Very high	40 Å²	40	47.2 Å²	47.2	19%	0.187	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	121	176.4	-170.7	176.5	-174	0	0	113.4	V127 H128 Y130 C146 K204	V127-E144 HydrophobicContact CG1-CB 4.08Å; H128-E144 HydrophobicContact CB-CB 4.21Å; H128-E144 PolarHBondContact N-OE2 2.62Å; H128-E144 PolarHBondContact O-N 3.1Å; Y130-E144 HydrophobicContact CE2-CB 4.17Å; E144-C146 PolarHBondContact O-N 2.75Å; E144-K204 WeakPolarHBondContact OE1-CE 3.34Å; E144-K204 IonicContact OE1-NZ 2.72Å; E144-K204 PolarHBondContact OE1-NZ 2.7Å; E144-K204 VanDerWaalsContact OE2-CE 3.29Å; E144-K204 WeakPolarHBondContact OE2-CE 3.42Å; E144-K204 IonicContact OE2-NZ 3.22Å; E144-K204 PolarHBondContact OE2-NZ 2.6Å
145	Y	97.6	Very high	96.6	Very high	71 Å²	71	44.8 Å²	44.8	28%	0.278	21%	0.214	S	C	.	.			trans	-75.8	104.7	178.6	176.1	-111.2	0	0	0	111.7	L72 E82 V91 L143 S147	L72-Y145 HydrophobicContact CD1-CD2 4.3Å; L72-Y145 HydrophobicContact CD1-CE2 4.35Å; L72-Y145 HydrophobicContact CD2-CE2 4.24Å; E82-Y145 HydrophobicContact CG-CD2 4.3Å; E82-Y145 HydrophobicContact CG-CE2 3.81Å; E82-Y145 VanDerWaalsContact OE1-CE2 3.32Å; E82-Y145 WeakPolarHBondContact OE1-CE2 3.23Å; E82-Y145 PolarHBondContact OE1-OH 2.95Å; E82-Y145 VanDerWaalsContact OE1-OH 3.05Å; V91-Y145 HydrophobicContact CB-CD1 4.31Å; V91-Y145 HydrophobicContact CG1-CD1 3.98Å; V91-Y145 HydrophobicContact CG1-CD2 4.23Å; V91-Y145 HydrophobicContact CG1-CE1 4.37Å; V91-Y145 HydrophobicContact CG1-CG 3.91Å; V91-Y145 WeakPolarHBondContact O-CB 3.47Å; L143-Y145 PolarHBondContact O-N 2.77Å; Y145-S147 PolarHBondContact O-N 2.91Å
146	C	97.2	Very high	96.6	Very high	12 Å²	12	50.2 Å²	50.2	8%	0.081	24%	0.235	C	C	.	.			trans	-92	92.9	177.1	-66.7	0	0	0	0	110.7	E144 R148 K149 F196 V197	E144-C146 PolarHBondContact O-N 2.75Å; C146-R148 PolarHBondContact O-N 3Å; C146-R148 VanDerWaalsContact O-N 3.14Å; C146-K149 PolarHBondContact O-N 3.12Å; C146-F196 HydrophobicContact CB-CB 3.63Å; C146-F196 VanDerWaalsContact SG-CB 3.6Å; C146-V197 CarbonylContact C-O 3.58Å; C146-V197 WeakPolarHBondContact CB-O 3.27Å
147	S	95.6	Very high	96.5	Very high	38 Å²	38	42.8 Å²	42.8	27%	0.266	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.4	-170.3	63.5	0	0	0	0	115.1	Y145 K149 E199	Y145-S147 PolarHBondContact O-N 2.91Å; S147-K149 VanDerWaalsContact C-N 3.27Å; S147-K149 PolarHBondContact O-N 3.15Å; S147-E199 WeakPolarHBondContact OG-CA 3.36Å; S147-E199 WeakPolarHBondContact OG-CB 3.45Å; S147-E199 PolarHBondContact OG-N 3.2Å
148	R	95.9	Very high	96.5	Very high	62 Å²	62	37.1 Å²	37.1	23%	0.234	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	14.4	177.3	-54.6	-171.4	-171.5	-66.5	-9.1	113.1	C146 S150 V197 S198 E199 M201	C146-R148 PolarHBondContact O-N 3Å; C146-R148 VanDerWaalsContact O-N 3.14Å; R148-S150 PolarHBondContact O-N 3.47Å; R148-V197 HydrophobicContact CB-CB 3.97Å; R148-V197 HydrophobicContact CB-CG1 3.95Å; R148-V197 WeakPolarHBondContact CB-O 3.4Å; R148-V197 PolarHBondContact N-O 3.36Å; R148-V197 VanDerWaalsContact N-O 3.07Å; R148-S198 WeakPolarHBondContact CD-O 3.4Å; R148-S198 VanDerWaalsContact CG-O 3.29Å; R148-S198 WeakPolarHBondContact CG-O 3.24Å; R148-S198 PolarHBondContact NE-O 3.25Å; R148-E199 VanDerWaalsContact CZ-O 3.25Å; R148-E199 PolarHBondContact NE-O 2.9Å; R148-E199 PolarHBondContact NH2-O 3.24Å; R148-M201 WeakPolarHBondContact CD-SD 3.17Å
149	K	95.3	Very high	96.3	Very high	121 Å²	121	41.4 Å²	41.4	53%	0.526	20%	0.203	S	C	.	.			trans	64.3	-119.8	177.6	-52	177.8	-175.1	176.4	0	111.1	C146 S147 H153 F196 V197	C146-K149 PolarHBondContact O-N 3.12Å; S147-K149 VanDerWaalsContact C-N 3.27Å; S147-K149 PolarHBondContact O-N 3.15Å; K149-H153 HydrophobicContact CB-CB 4.09Å; K149-H153 HydrophobicContact CD-CB 4.42Å; K149-F196 CarbonylContact O-C 3.55Å; K149-F196 WeakPolarHBondContact O-CA 3.38Å; K149-V197 PolarHBondContact O-N 3.36Å
150	S	97	Very high	96.2	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.028	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-143.1	163.7	-177	58.5	0	0	0	0	112.9	R148 A152 H153 I154 G193 F195	R148-S150 PolarHBondContact O-N 3.47Å; S150-A152 PolarHBondContact O-N 2.91Å; S150-A152 VanDerWaalsContact O-N 3.12Å; S150-H153 WeakPolarHBondContact O-CA 3.37Å; S150-H153 VanDerWaalsContact O-CB 3.3Å; S150-H153 WeakPolarHBondContact O-CB 3.45Å; S150-H153 PolarHBondContact O-N 3.16Å; S150-H153 PolarHBondContact OG-ND1 3.14Å; S150-I154 PolarHBondContact O-N 2.9Å; S150-G193 VanDerWaalsContact CB-O 3.29Å; S150-G193 WeakPolarHBondContact CB-O 3.29Å; S150-G193 PolarHBondContact OG-O 3.22Å; S150-F195 CarbonylContact C-O 3.58Å; S150-F195 WeakPolarHBondContact CA-O 3.12Å; S150-F195 WeakPolarHBondContact CB-O 3.47Å
151	L	97.9	Very high	96.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-54.9	-31.7	-178.4	-71.1	-174	0	0	0	113.2	H153 I154 L155 Y169 I173 L192 F195 V197 L203 M257	L151-H153 VanDerWaalsContact C-N 3.27Å; L151-H153 PolarHBondContact O-N 3.43Å; L151-I154 HydrophobicContact CD2-CD1 4.36Å; L151-I154 PolarHBondContact O-N 2.86Å; L151-L155 WeakPolarHBondContact O-CB 3.41Å; L151-L155 PolarHBondContact O-N 3.29Å; L151-Y169 HydrophobicContact CD1-CG 4.34Å; L151-Y169 HydrophobicContact CD2-CD1 3.85Å; L151-Y169 HydrophobicContact CD2-CD2 3.92Å; L151-Y169 HydrophobicContact CD2-CE1 3.8Å; L151-Y169 HydrophobicContact CD2-CE2 3.88Å; L151-Y169 HydrophobicContact CD2-CG 3.9Å; L151-I173 HydrophobicContact CD1-CD1 4.26Å; L151-L192 HydrophobicContact CB-CB 4.25Å; L151-L192 HydrophobicContact CB-CD2 4.1Å; L151-L192 HydrophobicContact CD1-CD2 4.22Å; L151-L192 PolarHBondContact N-O 3.28Å; L151-F195 HydrophobicContact CB-CB 4.36Å; L151-F195 HydrophobicContact CD1-CB 3.82Å; L151-F195 HydrophobicContact CD1-CD2 4.06Å; L151-F195 HydrophobicContact CD1-CG 4.31Å; L151-F195 HydrophobicContact CG-CB 3.93Å; L151-F195 PolarHBondContact N-O 3.43Å; L151-V197 HydrophobicContact CD2-CG2 4.03Å; L151-V197 HydrophobicContact CG-CG2 4.47Å; L151-L203 HydrophobicContact CD1-CD1 3.68Å; L151-L203 HydrophobicContact CG-CD1 4.17Å; L151-M257 HydrophobicContact CD1-SD 3.86Å
152	A	96.6	Very high	96.2	Very high	38 Å²	38	46.4 Å²	46.4	31%	0.314	23%	0.234	S	C	.	.	H	α-helix	trans	-62.4	-32.6	173.5	0	0	0	0	0	113	S150 K156 L192	S150-A152 PolarHBondContact O-N 2.91Å; S150-A152 VanDerWaalsContact O-N 3.12Å; A152-K156 WeakPolarHBondContact O-CB 3.41Å; A152-K156 PolarHBondContact O-N 2.65Å; A152-L192 HydrophobicContact CB-CB 3.95Å; A152-L192 PolarHBondContact N-O 3.14Å
153	H	96.1	Very high	96.1	Very high	92 Å²	92	48.5 Å²	48.5	43%	0.426	24%	0.244	S	C	.	.	H	α-helix	trans	-73.5	-41.9	174.7	-67	88.4	0	0	0	111.6	K149 S150 L151 K156 A157	K149-H153 HydrophobicContact CB-CB 4.09Å; K149-H153 HydrophobicContact CD-CB 4.42Å; S150-H153 WeakPolarHBondContact O-CA 3.37Å; S150-H153 VanDerWaalsContact O-CB 3.3Å; S150-H153 WeakPolarHBondContact O-CB 3.45Å; S150-H153 PolarHBondContact O-N 3.16Å; S150-H153 PolarHBondContact OG-ND1 3.14Å; L151-H153 VanDerWaalsContact C-N 3.27Å; L151-H153 PolarHBondContact O-N 3.43Å; H153-K156 PolarHBondContact O-N 2.58Å; H153-A157 PolarHBondContact O-N 3.11Å
154	I	97.5	Very high	96	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-51.7	177	-66.2	175.8	0	0	0	109.8	S150 L151 K156 A157 R158 L161 V197 C332	S150-I154 PolarHBondContact O-N 2.9Å; L151-I154 HydrophobicContact CD2-CD1 4.36Å; L151-I154 PolarHBondContact O-N 2.86Å; I154-K156 VanDerWaalsContact C-N 3.32Å; I154-K156 PolarHBondContact O-N 3.25Å; I154-A157 WeakPolarHBondContact O-CB 3.35Å; I154-A157 PolarHBondContact O-N 3.36Å; I154-A157 VanDerWaalsContact O-N 3.09Å; I154-R158 HydrophobicContact CG2-CG 4.1Å; I154-R158 VanDerWaalsContact O-CB 3.32Å; I154-R158 WeakPolarHBondContact O-CB 3.38Å; I154-R158 WeakPolarHBondContact O-CG 3.35Å; I154-R158 PolarHBondContact O-N 2.69Å; I154-L161 HydrophobicContact CG2-CD2 4.18Å; I154-V197 HydrophobicContact CD1-CB 4.41Å; I154-V197 HydrophobicContact CD1-CG2 3.98Å; I154-C332 HydrophobicContact CG1-CB 4.27Å
155	L	96.6	Very high	96	Very high	13 Å²	13	46.7 Å²	46.7	7%	0.068	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-35.4	178	-165	74.1	0	0	0	112.2	L151 A157 R158 K159 L161 L192 T256	L151-L155 WeakPolarHBondContact O-CB 3.41Å; L151-L155 PolarHBondContact O-N 3.29Å; L155-A157 PolarHBondContact O-N 3.44Å; L155-R158 PolarHBondContact O-N 3.22Å; L155-K159 WeakPolarHBondContact CD1-O 3.37Å; L155-K159 VanDerWaalsContact O-CA 3.28Å; L155-K159 WeakPolarHBondContact O-CA 3.28Å; L155-K159 PolarHBondContact O-N 3.25Å; L155-L161 HydrophobicContact CD1-CG 4.02Å; L155-L192 HydrophobicContact CD2-CD1 3.4Å; L155-L192 VanDerWaalsContact CD2-CD1 3.4Å; L155-T256 HydrophobicContact CD2-CG2 3.92Å; L155-T256 VanDerWaalsContact CD2-O 3.32Å; L155-T256 WeakPolarHBondContact CD2-O 3.43Å
156	K	94.1	Very high	96.1	Very high	160 Å²	160	43.3 Å²	43.3	70%	0.696	22%	0.223	S	C	*	.	H	α-helix	trans	-59.1	-35	173.8	-179.8	174.6	179.2	178.5	0	112.6	A152 H153 I154 K159	A152-K156 WeakPolarHBondContact O-CB 3.41Å; A152-K156 PolarHBondContact O-N 2.65Å; H153-K156 PolarHBondContact O-N 2.58Å; I154-K156 VanDerWaalsContact C-N 3.32Å; I154-K156 PolarHBondContact O-N 3.25Å; K156-K159 PolarHBondContact O-NZ 2.84Å
157	A	93.4	Very high	96.1	Very high	52 Å²	52	43.2 Å²	43.2	43%	0.43	22%	0.221	S	C	.	.	H	α-helix	trans	-77.8	-53.4	173.1	0	0	0	0	0	111.6	H153 I154 L155	H153-A157 PolarHBondContact O-N 3.11Å; I154-A157 WeakPolarHBondContact O-CB 3.35Å; I154-A157 PolarHBondContact O-N 3.36Å; I154-A157 VanDerWaalsContact O-N 3.09Å; L155-A157 PolarHBondContact O-N 3.44Å
158	R	94.4	Very high	96.3	Very high	22 Å²	22	42 Å²	42	8%	0.083	21%	0.211	C	C	.	.	H	α-helix	trans	-74.4	-21.4	-171.4	-75.9	-69.6	-55.2	-76.9	-12.8	116.3	I154 L155 V160 L161 E165 C331 H333 S334	I154-R158 HydrophobicContact CG2-CG 4.1Å; I154-R158 VanDerWaalsContact O-CB 3.32Å; I154-R158 WeakPolarHBondContact O-CB 3.38Å; I154-R158 WeakPolarHBondContact O-CG 3.35Å; I154-R158 PolarHBondContact O-N 2.69Å; L155-R158 PolarHBondContact O-N 3.22Å; R158-V160 PolarHBondContact NH2-O 3.25Å; R158-V160 PolarHBondContact O-N 2.97Å; R158-L161 HydrophobicContact CB-CD2 4.07Å; R158-L161 HydrophobicContact CG-CD2 4.2Å; R158-E165 IonicContact CZ-OE1 2.64Å; R158-E165 IonicContact CZ-OE2 3.6Å; R158-E165 IonicContact NH1-OE1 3.25Å; R158-E165 PolarHBondContact NH1-OE1 3.25Å; R158-E165 IonicContact NH1-OE2 3.27Å; R158-E165 PolarHBondContact NH1-OE2 2.95Å; R158-E165 IonicContact NH2-OE1 3.97Å; R158-E165 IonicContact NH2-OE2 3.99Å; R158-E165 PolarHBondContact NH2-OE2 3.03Å; R158-C331 PolarHBondContact NH1-O 3.35Å; R158-H333 VanDerWaalsContact CD-C 3.46Å; R158-S334 PolarHBondContact NH1-O 3.47Å
159	K	92.7	Very high	96.4	Very high	111 Å²	111	39.1 Å²	39.1	48%	0.483	20%	0.2	S	C	.	.	S	Bend	trans	63.2	-53.2	-168.7	-50	-50.2	179.5	-167.3	0	114.5	L155 K156 G260	L155-K159 WeakPolarHBondContact CD1-O 3.37Å; L155-K159 VanDerWaalsContact O-CA 3.28Å; L155-K159 WeakPolarHBondContact O-CA 3.28Å; L155-K159 PolarHBondContact O-N 3.25Å; K156-K159 PolarHBondContact O-NZ 2.84Å; K159-G260 WeakPolarHBondContact O-CA 3.48Å
160	V	94.9	Very high	96.6	Very high	58 Å²	58	33.5 Å²	33.5	35%	0.352	18%	0.176	S	C	.	.	S	Bend	trans	-133.3	154.5	175.1	-64.7	0	0	0	0	110.7	R158 L258	R158-V160 PolarHBondContact NH2-O 3.25Å; R158-V160 PolarHBondContact O-N 2.97Å; V160-L258 WeakPolarHBondContact CG1-O 3.44Å
161	L	97	Very high	96.6	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.037	19%	0.191	C	C	.	.			trans	-108.5	143	173.4	-62.6	-177.5	0	0	0	110.2	I154 L155 R158 E165 V166 Y169 M257	I154-L161 HydrophobicContact CG2-CD2 4.18Å; L155-L161 HydrophobicContact CD1-CG 4.02Å; R158-L161 HydrophobicContact CB-CD2 4.07Å; R158-L161 HydrophobicContact CG-CD2 4.2Å; L161-E165 HydrophobicContact CB-CB 4.32Å; L161-V166 HydrophobicContact CB-CG2 3.74Å; L161-Y169 HydrophobicContact CD1-CD2 3.95Å; L161-Y169 HydrophobicContact CD1-CE2 3.91Å; L161-M257 HydrophobicContact CD1-CB 4.22Å; L161-M257 HydrophobicContact CD1-CG 4.13Å; L161-M257 HydrophobicContact CD1-SD 4.08Å; L161-M257 PolarHBondContact N-O 3.49Å
162	T	96.2	Very high	96.7	Very high	47 Å²	47	38.7 Å²	38.7	29%	0.288	20%	0.195	S	C	.	.			trans	-69.9	150.2	175.1	63.3	0	0	0	0	109.9	P164 E165 V166	T162-P164 VanDerWaalsContact C-CD 3.4Å; T162-P164 VanDerWaalsContact C-N 3.32Å; T162-E165 WeakPolarHBondContact CB-OE2 3.37Å; T162-E165 PolarHBondContact N-OE2 3.29Å; T162-E165 WeakPolarHBondContact O-CB 2.95Å; T162-E165 PolarHBondContact O-N 3.19Å; T162-E165 VanDerWaalsContact OG1-CG 3.31Å; T162-E165 WeakPolarHBondContact OG1-CG 3.41Å; T162-E165 PolarHBondContact OG1-OE2 2.82Å; T162-V166 PolarHBondContact O-N 2.85Å
163	E	96.3	Very high	96.8	Very high	47 Å²	47	36.9 Å²	36.9	22%	0.22	18%	0.18	C	C	.	.	H	α-helix	trans	-53.9	-38	-178.5	-62.8	-167.7	167.4	0	0	115.1	E165 V166 R167 L258 S288 F317	E163-E165 VanDerWaalsContact C-N 3.28Å; E163-E165 PolarHBondContact O-N 3.46Å; E163-V166 PolarHBondContact O-N 3.37Å; E163-R167 WeakPolarHBondContact O-CB 3.38Å; E163-R167 WeakPolarHBondContact O-CG 3.23Å; E163-R167 PolarHBondContact O-N 2.85Å; E163-R167 IonicContact OE2-CZ 3.54Å; E163-R167 IonicContact OE2-NE 3.83Å; E163-R167 IonicContact OE2-NH2 2.74Å; E163-R167 PolarHBondContact OE2-NH2 3.19Å; E163-L258 HydrophobicContact CG-CD2 3.96Å; E163-S288 WeakPolarHBondContact OE1-CB 3.48Å; E163-S288 PolarHBondContact OE1-OG 3.38Å; E163-F317 HydrophobicContact CB-CE2 4.15Å; E163-F317 HydrophobicContact CB-CZ 4.41Å; E163-F317 HydrophobicContact CG-CE2 4.05Å
164	P	96.6	Very high	96.9	Very high	20 Å²	20	32.5 Å²	32.5	13%	0.13	16%	0.16	C	C	.	.	H	α-helix	trans	-61	-34.5	175.8	-25.6	37.3	0	0	0	113.5	T162 Y168 F322 S323 P324 F338	T162-P164 VanDerWaalsContact C-CD 3.4Å; T162-P164 VanDerWaalsContact C-N 3.32Å; P164-Y168 WeakPolarHBondContact O-CB 3.35Å; P164-Y168 PolarHBondContact O-N 3.43Å; P164-F322 HydrophobicContact CB-CD1 4.2Å; P164-F322 WeakPolarHBondContact CB-O 3.45Å; P164-F322 HydrophobicContact CG-CD1 4.32Å; P164-S323 PolarHBondContact O-OG 3.23Å; P164-P324 HydrophobicContact CB-CG 4.06Å; P164-F338 HydrophobicContact CB-CD2 3.79Å; P164-F338 HydrophobicContact CB-CE2 3.52Å; P164-F338 HydrophobicContact CB-CZ 4.16Å; P164-F338 HydrophobicContact CG-CD2 3.79Å; P164-F338 HydrophobicContact CG-CE2 3.98Å
165	E	98	Very high	96.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-71.3	-44	173.2	-61.4	173	100.3	0	0	111.1	R158 L161 T162 E163 R167 Y168 Y169 L327 P336 F338	R158-E165 IonicContact CZ-OE1 2.64Å; R158-E165 IonicContact CZ-OE2 3.6Å; R158-E165 IonicContact NH1-OE1 3.25Å; R158-E165 PolarHBondContact NH1-OE1 3.25Å; R158-E165 IonicContact NH1-OE2 3.27Å; R158-E165 PolarHBondContact NH1-OE2 2.95Å; R158-E165 IonicContact NH2-OE1 3.97Å; R158-E165 IonicContact NH2-OE2 3.99Å; R158-E165 PolarHBondContact NH2-OE2 3.03Å; L161-E165 HydrophobicContact CB-CB 4.32Å; T162-E165 WeakPolarHBondContact CB-OE2 3.37Å; T162-E165 PolarHBondContact N-OE2 3.29Å; T162-E165 WeakPolarHBondContact O-CB 2.95Å; T162-E165 PolarHBondContact O-N 3.19Å; T162-E165 VanDerWaalsContact OG1-CG 3.31Å; T162-E165 WeakPolarHBondContact OG1-CG 3.41Å; T162-E165 PolarHBondContact OG1-OE2 2.82Å; E163-E165 VanDerWaalsContact C-N 3.28Å; E163-E165 PolarHBondContact O-N 3.46Å; E165-R167 VanDerWaalsContact C-N 3.26Å; E165-R167 PolarHBondContact O-N 2.84Å; E165-Y168 WeakPolarHBondContact O-CB 3.33Å; E165-Y168 PolarHBondContact O-N 3.31Å; E165-Y168 VanDerWaalsContact O-N 3.11Å; E165-Y169 HydrophobicContact CB-CE2 4.32Å; E165-Y169 WeakPolarHBondContact O-CD2 3.38Å; E165-Y169 PolarHBondContact O-N 2.99Å; E165-L327 HydrophobicContact CB-CD1 4.11Å; E165-L327 HydrophobicContact CG-CD1 3.99Å; E165-L327 HydrophobicContact CG-CD2 4Å; E165-P336 VanDerWaalsContact CD-CD 3.49Å; E165-P336 HydrophobicContact CG-CG 3.88Å; E165-P336 WeakPolarHBondContact OE1-CD 3.48Å; E165-P336 WeakPolarHBondContact OE2-CD 3.27Å; E165-F338 HydrophobicContact CG-CE2 4.16Å; E165-F338 HydrophobicContact CG-CZ 4.29Å
166	V	98.5	Very high	97	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.3	-41.1	175	171.6	0	0	0	0	110.7	L161 T162 E163 Y169 L170 M254 M257 L258 F317	L161-V166 HydrophobicContact CB-CG2 3.74Å; T162-V166 PolarHBondContact O-N 2.85Å; E163-V166 PolarHBondContact O-N 3.37Å; V166-Y169 PolarHBondContact O-N 2.84Å; V166-L170 HydrophobicContact CG1-CD1 3.58Å; V166-L170 HydrophobicContact CG1-CG 4.15Å; V166-L170 VanDerWaalsContact O-CB 3.25Å; V166-L170 WeakPolarHBondContact O-CB 3.24Å; V166-L170 VanDerWaalsContact O-CG 3.24Å; V166-L170 WeakPolarHBondContact O-CG 3.3Å; V166-L170 PolarHBondContact O-N 2.78Å; V166-M254 HydrophobicContact CG1-CG 4.43Å; V166-M257 HydrophobicContact CG1-CE 4.21Å; V166-M257 HydrophobicContact CG2-CB 3.82Å; V166-L258 HydrophobicContact CB-CD2 4.19Å; V166-L258 HydrophobicContact CG1-CD1 4.42Å; V166-L258 HydrophobicContact CG1-CD2 4.26Å; V166-L258 HydrophobicContact CG1-CG 4.17Å; V166-L258 HydrophobicContact CG2-CD2 3.73Å; V166-L258 HydrophobicContact CG2-CG 4.02Å; V166-F317 HydrophobicContact CB-CZ 4.49Å; V166-F317 HydrophobicContact CG1-CE1 4.22Å; V166-F317 HydrophobicContact CG1-CZ 3.94Å
167	R	98.3	Very high	97.2	Very high	11 Å²	11	26.1 Å²	26.1	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-69.8	-35.8	174.9	-71.7	-174.9	-106.7	103.1	-3.2	112.9	E163 E165 R171 F317 F318 G321 F322 S323	E163-R167 WeakPolarHBondContact O-CB 3.38Å; E163-R167 WeakPolarHBondContact O-CG 3.23Å; E163-R167 PolarHBondContact O-N 2.85Å; E163-R167 IonicContact OE2-CZ 3.54Å; E163-R167 IonicContact OE2-NE 3.83Å; E163-R167 IonicContact OE2-NH2 2.74Å; E163-R167 PolarHBondContact OE2-NH2 3.19Å; E165-R167 VanDerWaalsContact C-N 3.26Å; E165-R167 PolarHBondContact O-N 2.84Å; R167-R171 WeakPolarHBondContact O-CB 3.45Å; R167-R171 VanDerWaalsContact O-CG 3.24Å; R167-R171 WeakPolarHBondContact O-CG 3.48Å; R167-R171 PolarHBondContact O-N 2.82Å; R167-R171 VanDerWaalsContact O-N 3.13Å; R167-F317 WeakPolarHBondContact CD-O 3.39Å; R167-F317 HydrophobicContact CG-CD1 3.66Å; R167-F317 HydrophobicContact CG-CE1 3.18Å; R167-F317 HydrophobicContact CG-CE2 4.23Å; R167-F317 HydrophobicContact CG-CG 4.37Å; R167-F317 HydrophobicContact CG-CZ 3.5Å; R167-F317 PolarHBondContact NE-O 3.44Å; R167-F317 VanDerWaalsContact NE-O 3.16Å; R167-F318 HydrophobicContact CB-CD1 4.01Å; R167-F318 HydrophobicContact CB-CE1 4.14Å; R167-F318 HydrophobicContact CG-CD1 3.84Å; R167-F318 HydrophobicContact CG-CE1 4.01Å; R167-G321 PolarHBondContact NH1-O 2.84Å; R167-F322 VanDerWaalsContact NH1-C 3.29Å; R167-F322 PolarHBondContact NH1-O 3.34Å; R167-S323 VanDerWaalsContact CB-CB 3.46Å; R167-S323 WeakPolarHBondContact CB-OG 3.49Å
168	Y	98.4	Very high	97.5	Very high	13 Å²	13	27 Å²	27	5%	0.051	13%	0.131	C	C	.	.	H	α-helix	trans	-63.7	-43	173.5	173.5	-99.7	0	0	0	112.4	P164 E165 Q172 M201 S323 P324 E325 L327	P164-Y168 WeakPolarHBondContact O-CB 3.35Å; P164-Y168 PolarHBondContact O-N 3.43Å; E165-Y168 WeakPolarHBondContact O-CB 3.33Å; E165-Y168 PolarHBondContact O-N 3.31Å; E165-Y168 VanDerWaalsContact O-N 3.11Å; Y168-Q172 VanDerWaalsContact CZ-NE2 3.27Å; Y168-Q172 PolarHBondContact O-NE2 3.27Å; Y168-M201 WeakPolarHBondContact CE1-O 3.5Å; Y168-M201 PolarHBondContact OH-O 2.83Å; Y168-M201 VanDerWaalsContact OH-O 3.14Å; Y168-S323 PolarHBondContact N-OG 2.94Å; Y168-P324 WeakPolarHBondContact CD2-O 3.32Å; Y168-E325 WeakPolarHBondContact CE2-O 2.98Å; Y168-L327 HydrophobicContact CD1-CB 4.37Å; Y168-L327 HydrophobicContact CD1-CD1 3.3Å; Y168-L327 HydrophobicContact CD1-CG 3.45Å; Y168-L327 VanDerWaalsContact CD1-CG 3.45Å; Y168-L327 HydrophobicContact CD2-CG 4.41Å; Y168-L327 HydrophobicContact CE1-CB 4.13Å; Y168-L327 HydrophobicContact CE1-CD1 3.77Å; Y168-L327 HydrophobicContact CE1-CG 3.71Å; Y168-L327 HydrophobicContact CG-CD1 3.99Å; Y168-L327 HydrophobicContact CG-CG 3.8Å
169	Y	98.8	Very high	97.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-76.5	-44.5	178.2	-65.4	-55.5	0	0	0	112.6	L151 L161 E165 V166 R171 Q172 I173 V197 M201 L203 L327	L151-Y169 HydrophobicContact CD1-CG 4.34Å; L151-Y169 HydrophobicContact CD2-CD1 3.85Å; L151-Y169 HydrophobicContact CD2-CD2 3.92Å; L151-Y169 HydrophobicContact CD2-CE1 3.8Å; L151-Y169 HydrophobicContact CD2-CE2 3.88Å; L151-Y169 HydrophobicContact CD2-CG 3.9Å; L161-Y169 HydrophobicContact CD1-CD2 3.95Å; L161-Y169 HydrophobicContact CD1-CE2 3.91Å; E165-Y169 HydrophobicContact CB-CE2 4.32Å; E165-Y169 WeakPolarHBondContact O-CD2 3.38Å; E165-Y169 PolarHBondContact O-N 2.99Å; V166-Y169 PolarHBondContact O-N 2.84Å; Y169-R171 PolarHBondContact O-N 2.91Å; Y169-Q172 WeakPolarHBondContact O-CB 3.43Å; Y169-Q172 PolarHBondContact O-N 3.27Å; Y169-Q172 VanDerWaalsContact O-N 3.09Å; Y169-I173 WeakPolarHBondContact O-CG1 3.35Å; Y169-I173 PolarHBondContact O-N 3.15Å; Y169-V197 HydrophobicContact CE1-CG2 4.5Å; Y169-M201 VanDerWaalsContact OH-CE 3.25Å; Y169-M201 WeakPolarHBondContact OH-CE 3.29Å; Y169-L203 HydrophobicContact CD1-CB 4.38Å; Y169-L203 HydrophobicContact CD1-CD1 3.79Å; Y169-L203 HydrophobicContact CG-CD1 4.23Å; Y169-L327 HydrophobicContact CE1-CD1 4.24Å; Y169-L327 HydrophobicContact CE2-CD1 3.78Å
170	L	98.5	Very high	97.9	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-62.7	-39.5	179.9	-73.2	173.7	0	0	0	112.5	V166 Q172 I173 V174 L250 V253 M254 M257 F317 F318	V166-L170 HydrophobicContact CG1-CD1 3.58Å; V166-L170 HydrophobicContact CG1-CG 4.15Å; V166-L170 VanDerWaalsContact O-CB 3.25Å; V166-L170 WeakPolarHBondContact O-CB 3.24Å; V166-L170 VanDerWaalsContact O-CG 3.24Å; V166-L170 WeakPolarHBondContact O-CG 3.3Å; V166-L170 PolarHBondContact O-N 2.78Å; L170-Q172 PolarHBondContact O-N 3.33Å; L170-I173 HydrophobicContact CD2-CD1 4.26Å; L170-I173 PolarHBondContact O-N 3.41Å; L170-V174 WeakPolarHBondContact O-CB 3.42Å; L170-V174 VanDerWaalsContact O-CG2 3.29Å; L170-V174 WeakPolarHBondContact O-CG2 3.46Å; L170-V174 PolarHBondContact O-N 3.04Å; L170-L250 HydrophobicContact CD2-CD1 3.57Å; L170-L250 HydrophobicContact CD2-CG 4.27Å; L170-V253 HydrophobicContact CD2-CG1 4.41Å; L170-M254 HydrophobicContact CD1-CB 3.97Å; L170-M254 HydrophobicContact CD1-CG 3.82Å; L170-M254 HydrophobicContact CD1-SD 3.84Å; L170-M254 HydrophobicContact CD2-CB 4.32Å; L170-M257 HydrophobicContact CD1-CE 4.47Å; L170-M257 HydrophobicContact CD2-CE 3.71Å; L170-M257 HydrophobicContact CG-CE 3.81Å; L170-F317 HydrophobicContact CD1-CE1 4.13Å; L170-F318 HydrophobicContact CB-CE1 3.92Å; L170-F318 HydrophobicContact CB-CZ 3.75Å; L170-F318 HydrophobicContact CD1-CZ 4.17Å
171	R	98.4	Very high	98	Very high	94 Å²	94	21.2 Å²	21.2	36%	0.355	10%	0.102	S	C	.	.	H	α-helix	trans	-55.7	-38.1	174	-75.2	-169.8	-67.9	178.8	5.2	111.8	R167 Y169 S175 L313 F318 S323 P324	R167-R171 WeakPolarHBondContact O-CB 3.45Å; R167-R171 VanDerWaalsContact O-CG 3.24Å; R167-R171 WeakPolarHBondContact O-CG 3.48Å; R167-R171 PolarHBondContact O-N 2.82Å; R167-R171 VanDerWaalsContact O-N 3.13Å; Y169-R171 PolarHBondContact O-N 2.91Å; R171-S175 VanDerWaalsContact O-CB 3.23Å; R171-S175 WeakPolarHBondContact O-CB 3.48Å; R171-S175 PolarHBondContact O-N 3.36Å; R171-L313 HydrophobicContact CB-CD2 4.45Å; R171-L313 HydrophobicContact CG-CD2 4.02Å; R171-F318 HydrophobicContact CG-CD1 3.69Å; R171-F318 HydrophobicContact CG-CE1 3.71Å; R171-S323 VanDerWaalsContact NH2-C 3.3Å; R171-S323 PolarHBondContact NH2-O 2.91Å; R171-S323 PolarHBondContact NH2-OG 2.8Å; R171-P324 PolarHBondContact NH2-O 3.39Å; R171-P324 VanDerWaalsContact NH2-O 3.15Å
172	Q	98.7	Very high	98	Very high	20 Å²	20	26.5 Å²	26.5	9%	0.093	13%	0.126	C	C	.	.	H	α-helix	trans	-78.1	-36.2	178.1	-69.2	177.5	87.2	0	0	113.4	N125 Y168 Y169 L170 G176 L203	N125-Q172 WeakPolarHBondContact CB-O 3.41Å; N125-Q172 WeakPolarHBondContact ND2-CB 3.36Å; N125-Q172 PolarHBondContact ND2-OE1 3.11Å; Y168-Q172 VanDerWaalsContact CZ-NE2 3.27Å; Y168-Q172 PolarHBondContact O-NE2 3.27Å; Y169-Q172 WeakPolarHBondContact O-CB 3.43Å; Y169-Q172 PolarHBondContact O-N 3.27Å; Y169-Q172 VanDerWaalsContact O-N 3.09Å; L170-Q172 PolarHBondContact O-N 3.33Å; Q172-G176 PolarHBondContact O-N 2.81Å; Q172-L203 HydrophobicContact CB-CB 3.89Å; Q172-L203 HydrophobicContact CB-CD2 4.35Å
173	I	98.8	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.4	-46.6	173.9	-63.8	162.1	0	0	0	109.8	L151 Y169 L170 G176 L177 F195 L203 L250 V253	L151-I173 HydrophobicContact CD1-CD1 4.26Å; Y169-I173 WeakPolarHBondContact O-CG1 3.35Å; Y169-I173 PolarHBondContact O-N 3.15Å; L170-I173 HydrophobicContact CD2-CD1 4.26Å; L170-I173 PolarHBondContact O-N 3.41Å; I173-G176 PolarHBondContact O-N 3.3Å; I173-L177 VanDerWaalsContact O-CB 3.3Å; I173-L177 WeakPolarHBondContact O-CB 3.47Å; I173-L177 PolarHBondContact O-N 3.44Å; I173-F195 HydrophobicContact CB-CE1 4.49Å; I173-F195 HydrophobicContact CD1-CD1 4.41Å; I173-F195 HydrophobicContact CD1-CD2 3.89Å; I173-F195 HydrophobicContact CD1-CE1 4.41Å; I173-F195 HydrophobicContact CD1-CE2 3.91Å; I173-F195 HydrophobicContact CD1-CG 4.15Å; I173-F195 HydrophobicContact CD1-CZ 4.17Å; I173-F195 HydrophobicContact CG1-CD1 4.01Å; I173-F195 HydrophobicContact CG1-CD2 4.38Å; I173-F195 HydrophobicContact CG1-CE1 4.05Å; I173-F195 HydrophobicContact CG1-CE2 4.44Å; I173-F195 HydrophobicContact CG1-CG 4.19Å; I173-F195 HydrophobicContact CG1-CZ 4.27Å; I173-F195 HydrophobicContact CG2-CD1 4.43Å; I173-F195 HydrophobicContact CG2-CE1 3.66Å; I173-F195 HydrophobicContact CG2-CE2 4.49Å; I173-F195 HydrophobicContact CG2-CZ 3.7Å; I173-L203 HydrophobicContact CB-CD2 4.46Å; I173-L203 HydrophobicContact CD1-CD1 3.93Å; I173-L203 HydrophobicContact CG1-CD1 3.59Å; I173-L203 HydrophobicContact CG1-CD2 3.55Å; I173-L203 HydrophobicContact CG1-CG 4.25Å; I173-L250 HydrophobicContact CB-CD1 4.21Å; I173-L250 HydrophobicContact CG2-CD1 3.53Å; I173-V253 HydrophobicContact CD1-CG1 4.1Å
174	V	98.6	Very high	98	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-63.1	-43.3	177.3	172.7	0	0	0	0	111.2	L170 G176 L177 K178 L250 L309 I312 L313	L170-V174 WeakPolarHBondContact O-CB 3.42Å; L170-V174 VanDerWaalsContact O-CG2 3.29Å; L170-V174 WeakPolarHBondContact O-CG2 3.46Å; L170-V174 PolarHBondContact O-N 3.04Å; V174-G176 PolarHBondContact O-N 3.37Å; V174-L177 PolarHBondContact O-N 3.2Å; V174-K178 VanDerWaalsContact O-CB 3.28Å; V174-K178 WeakPolarHBondContact O-CB 3.33Å; V174-K178 PolarHBondContact O-N 2.91Å; V174-L250 HydrophobicContact CG2-CD2 3.64Å; V174-L309 HydrophobicContact CG1-CB 3.99Å; V174-L309 HydrophobicContact CG1-CD2 4.07Å; V174-L309 VanDerWaalsContact CG1-O 3.27Å; V174-L309 WeakPolarHBondContact CG1-O 3.18Å; V174-I312 HydrophobicContact CG2-CG2 3.98Å; V174-L313 HydrophobicContact CB-CD2 4.07Å; V174-L313 HydrophobicContact CG1-CD1 3.94Å; V174-L313 HydrophobicContact CG1-CD2 3.87Å; V174-L313 HydrophobicContact CG1-CG 3.75Å
175	S	98.6	Very high	98	Very high	42 Å²	42	32 Å²	32	29%	0.294	15%	0.147	S	C	.	.	H	α-helix	trans	-56.1	-47.3	172.1	177	0	0	0	0	112.2	H123 N125 R171 Y179	H123-S175 PolarHBondContact CE1-O 3.08Å; H123-S175 VanDerWaalsContact CE1-O 3.28Å; H123-S175 PolarHBondContact CE1-OG 2.87Å; H123-S175 VanDerWaalsContact CE1-OG 3.29Å; N125-S175 PolarHBondContact OD1-OG 3.17Å; R171-S175 VanDerWaalsContact O-CB 3.23Å; R171-S175 WeakPolarHBondContact O-CB 3.48Å; R171-S175 PolarHBondContact O-N 3.36Å; S175-Y179 PolarHBondContact O-N 2.91Å
176	G	98.6	Very high	97.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-46.2	175	0	0	0	0	0	113	Q172 I173 V174 Y179 L180	Q172-G176 PolarHBondContact O-N 2.81Å; I173-G176 PolarHBondContact O-N 3.3Å; V174-G176 PolarHBondContact O-N 3.37Å; G176-Y179 PolarHBondContact O-N 2.85Å; G176-L180 WeakPolarHBondContact O-CG 3.5Å; G176-L180 PolarHBondContact O-N 2.91Å
177	L	98.4	Very high	97.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-69.6	-33.5	-177	-170.5	56.7	0	0	0	112.7	I173 V174 L180 H181 L190 D246 L309	I173-L177 VanDerWaalsContact O-CB 3.3Å; I173-L177 WeakPolarHBondContact O-CB 3.47Å; I173-L177 PolarHBondContact O-N 3.44Å; V174-L177 PolarHBondContact O-N 3.2Å; L177-L180 HydrophobicContact CD1-CD1 4.37Å; L177-L180 PolarHBondContact O-N 3.14Å; L177-H181 WeakPolarHBondContact CD1-NE2 3.48Å; L177-H181 PolarHBondContact O-N 2.82Å; L177-L190 HydrophobicContact CD1-CD1 3.98Å; L177-L190 HydrophobicContact CD2-CD1 3.77Å; L177-D246 HydrophobicContact CD1-CB 4.08Å; L177-D246 HydrophobicContact CD2-CB 4.11Å; L177-L309 HydrophobicContact CB-CD1 4.32Å; L177-L309 HydrophobicContact CB-CD2 4.35Å; L177-L309 HydrophobicContact CD2-CD2 3.83Å; L177-L309 HydrophobicContact CG-CD1 4.09Å; L177-L309 HydrophobicContact CG-CD2 4.14Å
178	K	98.3	Very high	97.7	Very high	69 Å²	69	33.1 Å²	33.1	30%	0.3	15%	0.152	S	C	.	.	H	α-helix	trans	-60.5	-49.6	174.6	-179.9	171.6	178.6	177.9	0	110.5	V174 L180 H181 E182 L309 E310	V174-K178 VanDerWaalsContact O-CB 3.28Å; V174-K178 WeakPolarHBondContact O-CB 3.33Å; V174-K178 PolarHBondContact O-N 2.91Å; K178-L180 VanDerWaalsContact C-N 3.31Å; K178-L180 PolarHBondContact O-N 2.89Å; K178-H181 PolarHBondContact O-N 3.09Å; K178-E182 WeakPolarHBondContact CE-OE1 3.3Å; K178-E182 HydrophobicContact CG-CG 4.4Å; K178-E182 WeakPolarHBondContact CG-OE1 3.47Å; K178-E182 WeakPolarHBondContact O-CB 3.27Å; K178-E182 VanDerWaalsContact O-CG 3.27Å; K178-E182 WeakPolarHBondContact O-CG 3.37Å; K178-E182 PolarHBondContact O-N 2.98Å; K178-L309 VanDerWaalsContact CA-CD1 3.47Å; K178-L309 HydrophobicContact CB-CD1 3.97Å; K178-E310 IonicContact NZ-OE2 2.72Å; K178-E310 PolarHBondContact NZ-OE2 3.14Å
179	Y	98.5	Very high	97.5	Very high	37 Å²	37	33.1 Å²	33.1	15%	0.145	15%	0.153	C	C	.	.	H	α-helix	trans	-58	-40.1	173.2	173.3	-102.1	0	0	0	112.8	L121 H122 H123 I126 S175 G176 E182 Q183	L121-Y179 HydrophobicContact CB-CE1 4.15Å; L121-Y179 HydrophobicContact CD2-CE1 3.87Å; H122-Y179 PolarHBondContact N-OH 2.91Å; H123-Y179 HydrophobicContact CB-CD1 3.34Å; H123-Y179 HydrophobicContact CB-CD2 3.94Å; H123-Y179 HydrophobicContact CB-CE1 3.57Å; H123-Y179 HydrophobicContact CB-CE2 4.16Å; H123-Y179 HydrophobicContact CB-CG 3.52Å; H123-Y179 AromaticContact CG-CD1 3.92Å; H123-Y179 AromaticContact CG-CG 3.7Å; I126-Y179 HydrophobicContact CG1-CD1 3.95Å; I126-Y179 HydrophobicContact CG1-CE1 4.4Å; S175-Y179 PolarHBondContact O-N 2.91Å; G176-Y179 PolarHBondContact O-N 2.85Å; Y179-E182 PolarHBondContact O-N 3.42Å; Y179-Q183 HydrophobicContact CD2-CG 4.29Å; Y179-Q183 HydrophobicContact CE1-CG 4.24Å; Y179-Q183 HydrophobicContact CE2-CG 3.86Å; Y179-Q183 VanDerWaalsContact O-CG 3.27Å; Y179-Q183 WeakPolarHBondContact O-CG 3.48Å; Y179-Q183 PolarHBondContact O-N 3.49Å
180	L	98.1	Very high	97.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-45.1	176.5	-65.1	179.4	0	0	0	112.2	L121 I126 G176 L177 K178 Q183 E184 I185 H187 F208	L121-L180 HydrophobicContact CD1-CD2 3.7Å; L121-L180 HydrophobicContact CD2-CD2 4.11Å; I126-L180 HydrophobicContact CD1-CD1 4.07Å; I126-L180 HydrophobicContact CD1-CD2 3.95Å; I126-L180 HydrophobicContact CD1-CG 3.89Å; I126-L180 HydrophobicContact CG1-CD2 4.41Å; G176-L180 WeakPolarHBondContact O-CG 3.5Å; G176-L180 PolarHBondContact O-N 2.91Å; L177-L180 HydrophobicContact CD1-CD1 4.37Å; L177-L180 PolarHBondContact O-N 3.14Å; K178-L180 VanDerWaalsContact C-N 3.31Å; K178-L180 PolarHBondContact O-N 2.89Å; L180-Q183 CarbonylContact O-C 3.58Å; L180-Q183 PolarHBondContact O-N 2.95Å; L180-Q183 VanDerWaalsContact O-N 3.11Å; L180-E184 PolarHBondContact O-N 2.92Å; L180-I185 CarbonylContact C-O 3.59Å; L180-I185 WeakPolarHBondContact CB-O 3.38Å; L180-I185 HydrophobicContact CD2-CG2 4.47Å; L180-I185 PolarHBondContact O-N 3.24Å; L180-H187 HydrophobicContact CD1-CB 4.27Å; L180-F208 HydrophobicContact CD1-CE1 3.86Å; L180-F208 HydrophobicContact CD1-CZ 4.27Å; L180-F208 HydrophobicContact CD2-CE1 3.69Å; L180-F208 HydrophobicContact CD2-CZ 3.99Å; L180-F208 HydrophobicContact CG-CE1 4.45Å
181	H	96.9	Very high	97.3	Very high	33 Å²	33	35.1 Å²	35.1	15%	0.153	16%	0.161	C	C	.	.	H	α-helix	trans	-69	-33.9	179.3	-67.7	-178.8	0	0	0	111.9	L177 K178 Q183 E184 I185 D246	L177-H181 WeakPolarHBondContact CD1-NE2 3.48Å; L177-H181 PolarHBondContact O-N 2.82Å; K178-H181 PolarHBondContact O-N 3.09Å; H181-Q183 VanDerWaalsContact C-N 3.26Å; H181-Q183 PolarHBondContact O-N 2.8Å; H181-E184 PolarHBondContact O-N 2.66Å; H181-I185 PolarHBondContact CD2-O 3.04Å; H181-D246 IonicContact CE1-OD2 2.88Å; H181-D246 IonicContact NE2-OD2 3.71Å; H181-D246 PolarHBondContact NE2-OD2 2.6Å
182	E	96.9	Very high	97.3	Very high	119 Å²	119	31 Å²	31	56%	0.556	15%	0.146	S	C	*	.	H	α-helix	trans	-67.5	-20.6	169.6	-72.9	169.1	173.2	0	0	113.6	K178 Y179 E184	K178-E182 WeakPolarHBondContact CE-OE1 3.3Å; K178-E182 HydrophobicContact CG-CG 4.4Å; K178-E182 WeakPolarHBondContact CG-OE1 3.47Å; K178-E182 WeakPolarHBondContact O-CB 3.27Å; K178-E182 VanDerWaalsContact O-CG 3.27Å; K178-E182 WeakPolarHBondContact O-CG 3.37Å; K178-E182 PolarHBondContact O-N 2.98Å; Y179-E182 PolarHBondContact O-N 3.42Å; E182-E184 VanDerWaalsContact C-N 3.33Å
183	Q	97	Very high	97.1	Very high	95 Å²	95	31.2 Å²	31.2	44%	0.444	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	15.9	169.8	-63.2	-61.4	-94.5	0	0	112.6	Y179 L180 H181 I185	Y179-Q183 HydrophobicContact CD2-CG 4.29Å; Y179-Q183 HydrophobicContact CE1-CG 4.24Å; Y179-Q183 HydrophobicContact CE2-CG 3.86Å; Y179-Q183 VanDerWaalsContact O-CG 3.27Å; Y179-Q183 WeakPolarHBondContact O-CG 3.48Å; Y179-Q183 PolarHBondContact O-N 3.49Å; L180-Q183 CarbonylContact O-C 3.58Å; L180-Q183 PolarHBondContact O-N 2.95Å; L180-Q183 VanDerWaalsContact O-N 3.11Å; H181-Q183 VanDerWaalsContact C-N 3.26Å; H181-Q183 PolarHBondContact O-N 2.8Å; Q183-I185 HydrophobicContact CB-CD1 4.32Å; Q183-I185 WeakPolarHBondContact O-CG1 3.29Å; Q183-I185 PolarHBondContact O-N 3.3Å
184	E	95.9	Very high	97	Very high	125 Å²	125	31.7 Å²	31.7	58%	0.584	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	35	-176.2	-56.4	-171.4	128.8	0	0	113.2	L180 H181 E182 K213 L214	L180-E184 PolarHBondContact O-N 2.92Å; H181-E184 PolarHBondContact O-N 2.66Å; E182-E184 VanDerWaalsContact C-N 3.33Å; E184-K213 CarbonylContact O-C 3.56Å; E184-K213 WeakPolarHBondContact O-CA 3.32Å; E184-L214 HydrophobicContact CB-CB 4.29Å; E184-L214 PolarHBondContact O-N 3.17Å
185	I	96.4	Very high	97	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.041	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.8	-178.1	-72.7	162.9	0	0	0	111	L117 L121 L180 H181 Q183 A211	L117-I185 HydrophobicContact CD2-CD1 4.16Å; L117-I185 HydrophobicContact CD2-CG1 4.3Å; L121-I185 HydrophobicContact CD2-CD1 3.97Å; L180-I185 CarbonylContact C-O 3.59Å; L180-I185 WeakPolarHBondContact CB-O 3.38Å; L180-I185 HydrophobicContact CD2-CG2 4.47Å; L180-I185 PolarHBondContact O-N 3.24Å; H181-I185 PolarHBondContact CD2-O 3.04Å; Q183-I185 HydrophobicContact CB-CD1 4.32Å; Q183-I185 WeakPolarHBondContact O-CG1 3.29Å; Q183-I185 PolarHBondContact O-N 3.3Å; I185-A211 HydrophobicContact CG2-CB 4.44Å
186	L	95.7	Very high	97	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.026	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.5	171.6	-59.6	179.6	0	0	0	110.4	R188 A211 A212 L214 H241 C243	L186-R188 HydrophobicContact CB-CG 3.62Å; L186-A211 VanDerWaalsContact O-CA 3.27Å; L186-A211 WeakPolarHBondContact O-CA 3.4Å; L186-A211 WeakPolarHBondContact O-CB 3.46Å; L186-A212 PolarHBondContact N-O 3.47Å; L186-A212 PolarHBondContact O-N 2.98Å; L186-A212 VanDerWaalsContact O-N 3.17Å; L186-L214 HydrophobicContact CD1-CD1 3.93Å; L186-L214 HydrophobicContact CD2-CD1 4.23Å; L186-L214 HydrophobicContact CG-CB 4.46Å; L186-L214 HydrophobicContact CG-CD1 4.2Å; L186-H241 HydrophobicContact CD1-CB 4.25Å; L186-C243 HydrophobicContact CD2-CB 4.29Å
187	H	96.9	Very high	97	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.155	C	C	.	.			trans	-82	-40.1	-178.8	-167.2	-79.1	0	0	0	112.4	L180 D189 L190 G206 F208 D246	L180-H187 HydrophobicContact CD1-CB 4.27Å; H187-D189 PolarHBondContact O-N 3.01Å; H187-L190 HydrophobicContact CB-CD2 3.79Å; H187-L190 HydrophobicContact CB-CG 3.9Å; H187-L190 VanDerWaalsContact CG-CD2 3.5Å; H187-G206 PolarHBondContact NE2-O 3.2Å; H187-F208 AromaticContact CD2-CE1 3.77Å; H187-D246 PolarHBondContact N-OD2 3.29Å
188	R	94.8	Very high	96.9	Very high	29 Å²	29	33 Å²	33	11%	0.109	16%	0.159	C	C	.	.	S	Bend	trans	64.6	-3.3	168.4	-52.2	172.3	70.1	-123.4	4.5	116.7	L186 L210 C225 H241 D246	L186-R188 HydrophobicContact CB-CG 3.62Å; R188-L210 PolarHBondContact NH1-O 3.25Å; R188-C225 PolarHBondContact NH1-SG 3.44Å; R188-C225 PolarHBondContact NH2-SG 3.34Å; R188-H241 HydrophobicContact CG-CB 4.21Å; R188-H241 VanDerWaalsContact NE-CG 3.3Å; R188-H241 PolarHBondContact NE-ND1 3.26Å; R188-H241 PolarHBondContact NH2-CE1 3.15Å; R188-H241 PolarHBondContact NH2-ND1 3.24Å; R188-D246 PolarHBondContact N-OD1 3.48Å
189	D	95.3	Very high	96.8	Very high	14 Å²	14	36.5 Å²	36.5	8%	0.075	18%	0.176	C	C	.	.			trans	-145.5	48.2	172	-165.5	33.7	0	0	0	112	H187 K191 N194 L210 T227	H187-D189 PolarHBondContact O-N 3.01Å; D189-K191 PolarHBondContact O-N 2.88Å; D189-K191 IonicContact OD1-NZ 2.67Å; D189-K191 PolarHBondContact OD1-NZ 2.92Å; D189-K191 IonicContact OD2-NZ 2.8Å; D189-K191 PolarHBondContact OD2-NZ 3.13Å; D189-N194 PolarHBondContact O-ND2 3.36Å; D189-N194 VanDerWaalsContact O-ND2 3.08Å; D189-L210 HydrophobicContact CB-CB 4.3Å; D189-L210 HydrophobicContact CB-CD1 3.87Å; D189-T227 WeakPolarHBondContact OD1-CB 3.29Å; D189-T227 PolarHBondContact OD1-N 3.33Å; D189-T227 PolarHBondContact OD1-OG1 2.78Å
190	L	97.5	Very high	96.7	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	19%	0.191	C	C	.	.			trans	-68.5	124	173.6	-68	172.5	0	0	0	110.5	L177 H187 F195 V205 Y230 D246 A249	L177-L190 HydrophobicContact CD1-CD1 3.98Å; L177-L190 HydrophobicContact CD2-CD1 3.77Å; H187-L190 HydrophobicContact CB-CD2 3.79Å; H187-L190 HydrophobicContact CB-CG 3.9Å; H187-L190 VanDerWaalsContact CG-CD2 3.5Å; L190-F195 HydrophobicContact CB-CZ 4.14Å; L190-F195 HydrophobicContact CD2-CE1 3.79Å; L190-F195 HydrophobicContact CD2-CZ 3.91Å; L190-V205 HydrophobicContact CD2-CG1 4Å; L190-Y230 WeakPolarHBondContact O-CD1 3.17Å; L190-D246 HydrophobicContact CD1-CB 3.59Å; L190-A249 HydrophobicContact CB-CB 3.87Å
191	K	96	Very high	96.6	Very high	42 Å²	42	37.9 Å²	37.9	18%	0.183	19%	0.191	C	C	.	.			trans	-164	161.7	-179.8	67	-155.5	-175.5	-163.4	0	110.8	D189 G193 N194 F195 T227 Y230	D189-K191 PolarHBondContact O-N 2.88Å; D189-K191 IonicContact OD1-NZ 2.67Å; D189-K191 PolarHBondContact OD1-NZ 2.92Å; D189-K191 IonicContact OD2-NZ 2.8Å; D189-K191 PolarHBondContact OD2-NZ 3.13Å; K191-G193 PolarHBondContact O-N 3.19Å; K191-N194 WeakPolarHBondContact CE-ND2 3.3Å; K191-N194 WeakPolarHBondContact CE-OD1 3.26Å; K191-N194 HydrophobicContact CG-CB 4.14Å; K191-N194 PolarHBondContact O-N 2.95Å; K191-F195 WeakPolarHBondContact O-CD2 3.49Å; K191-T227 HydrophobicContact CD-CG2 4.36Å; K191-T227 WeakPolarHBondContact CD-OG1 3.38Å; K191-T227 PolarHBondContact NZ-OG1 2.81Å; K191-Y230 HydrophobicContact CB-CD1 4.27Å; K191-Y230 HydrophobicContact CB-CD2 4.14Å; K191-Y230 HydrophobicContact CB-CE1 4.06Å; K191-Y230 HydrophobicContact CB-CE2 3.93Å; K191-Y230 HydrophobicContact CB-CG 4.32Å
192	L	97.3	Very high	96.7	Very high	7 Å²	7	39 Å²	39	4%	0.037	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.5	-179.6	-58.4	-179.7	0	0	0	114.7	L151 A152 L155 N194 F195 V253 T256 M257	L151-L192 HydrophobicContact CB-CB 4.25Å; L151-L192 HydrophobicContact CB-CD2 4.1Å; L151-L192 HydrophobicContact CD1-CD2 4.22Å; L151-L192 PolarHBondContact N-O 3.28Å; A152-L192 HydrophobicContact CB-CB 3.95Å; A152-L192 PolarHBondContact N-O 3.14Å; L155-L192 HydrophobicContact CD2-CD1 3.4Å; L155-L192 VanDerWaalsContact CD2-CD1 3.4Å; L192-N194 VanDerWaalsContact C-N 3.28Å; L192-N194 PolarHBondContact O-N 3.14Å; L192-F195 HydrophobicContact CD2-CD2 4.43Å; L192-V253 HydrophobicContact CD2-CG1 3.98Å; L192-V253 HydrophobicContact CD2-CG2 4.49Å; L192-T256 HydrophobicContact CD1-CG2 3.57Å; L192-M257 HydrophobicContact CD2-CG 3.69Å; L192-M257 HydrophobicContact CD2-SD 4.19Å
193	G	95.3	Very high	96.8	Very high	26 Å²	26	33.3 Å²	33.3	27%	0.268	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-28.5	174.6	0	0	0	0	0	113.9	S150 K191	S150-G193 VanDerWaalsContact CB-O 3.29Å; S150-G193 WeakPolarHBondContact CB-O 3.29Å; S150-G193 PolarHBondContact OG-O 3.22Å; K191-G193 PolarHBondContact O-N 3.19Å
194	N	96.9	Very high	96.9	Very high	10 Å²	10	29.8 Å²	29.8	5%	0.053	15%	0.153	C	C	.	.	S	Bend	trans	-103.1	0.6	-169.2	-70.8	16.8	0	0	0	112.8	D189 K191 L192 F196 G206	D189-N194 PolarHBondContact O-ND2 3.36Å; D189-N194 VanDerWaalsContact O-ND2 3.08Å; K191-N194 WeakPolarHBondContact CE-ND2 3.3Å; K191-N194 WeakPolarHBondContact CE-OD1 3.26Å; K191-N194 HydrophobicContact CG-CB 4.14Å; K191-N194 PolarHBondContact O-N 2.95Å; L192-N194 VanDerWaalsContact C-N 3.28Å; L192-N194 PolarHBondContact O-N 3.14Å; N194-F196 WeakPolarHBondContact O-CD2 3.15Å; N194-F196 WeakPolarHBondContact O-CE2 3.46Å; N194-G206 WeakPolarHBondContact CB-O 3.38Å; N194-G206 PolarHBondContact O-N 2.86Å
195	F	98.4	Very high	97	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	96.8	169.2	-56.8	-49.1	0	0	0	109.4	S150 L151 I173 L190 K191 L192 L203 K204 V205 V253	S150-F195 CarbonylContact C-O 3.58Å; S150-F195 WeakPolarHBondContact CA-O 3.12Å; S150-F195 WeakPolarHBondContact CB-O 3.47Å; L151-F195 HydrophobicContact CB-CB 4.36Å; L151-F195 HydrophobicContact CD1-CB 3.82Å; L151-F195 HydrophobicContact CD1-CD2 4.06Å; L151-F195 HydrophobicContact CD1-CG 4.31Å; L151-F195 HydrophobicContact CG-CB 3.93Å; L151-F195 PolarHBondContact N-O 3.43Å; I173-F195 HydrophobicContact CB-CE1 4.49Å; I173-F195 HydrophobicContact CD1-CD1 4.41Å; I173-F195 HydrophobicContact CD1-CD2 3.89Å; I173-F195 HydrophobicContact CD1-CE1 4.41Å; I173-F195 HydrophobicContact CD1-CE2 3.91Å; I173-F195 HydrophobicContact CD1-CG 4.15Å; I173-F195 HydrophobicContact CD1-CZ 4.17Å; I173-F195 HydrophobicContact CG1-CD1 4.01Å; I173-F195 HydrophobicContact CG1-CD2 4.38Å; I173-F195 HydrophobicContact CG1-CE1 4.05Å; I173-F195 HydrophobicContact CG1-CE2 4.44Å; I173-F195 HydrophobicContact CG1-CG 4.19Å; I173-F195 HydrophobicContact CG1-CZ 4.27Å; I173-F195 HydrophobicContact CG2-CD1 4.43Å; I173-F195 HydrophobicContact CG2-CE1 3.66Å; I173-F195 HydrophobicContact CG2-CE2 4.49Å; I173-F195 HydrophobicContact CG2-CZ 3.7Å; L190-F195 HydrophobicContact CB-CZ 4.14Å; L190-F195 HydrophobicContact CD2-CE1 3.79Å; L190-F195 HydrophobicContact CD2-CZ 3.91Å; K191-F195 WeakPolarHBondContact O-CD2 3.49Å; L192-F195 HydrophobicContact CD2-CD2 4.43Å; F195-L203 HydrophobicContact CB-CD1 4.03Å; F195-L203 HydrophobicContact CB-CD2 4.34Å; F195-L203 HydrophobicContact CB-CG 4.2Å; F195-L203 HydrophobicContact CD1-CD2 4.27Å; F195-K204 CarbonylContact C-O 3.5Å; F195-V205 HydrophobicContact CD1-CB 4.37Å; F195-V205 HydrophobicContact CD1-CG1 4.24Å; F195-V205 HydrophobicContact CD1-CG2 3.93Å; F195-V205 HydrophobicContact CE1-CB 4.49Å; F195-V205 HydrophobicContact CE1-CG1 4.01Å; F195-V205 HydrophobicContact CE1-CG2 3.96Å; F195-V253 HydrophobicContact CD2-CG1 4.39Å; F195-V253 HydrophobicContact CE2-CB 4.32Å; F195-V253 HydrophobicContact CE2-CG1 3.71Å; F195-V253 HydrophobicContact CE2-CG2 3.69Å; F195-V253 HydrophobicContact CZ-CG2 4.37Å
196	F	98.3	Very high	97	Very high	60 Å²	60	23.5 Å²	23.5	26%	0.263	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	156.5	-179.4	-57.9	-86.9	0	0	0	111.2	V127 C146 K149 N194 L203 K204	V127-F196 HydrophobicContact CG2-CB 4.34Å; V127-F196 HydrophobicContact CG2-CD2 3.71Å; V127-F196 HydrophobicContact CG2-CE2 4.47Å; V127-F196 HydrophobicContact CG2-CG 4.3Å; C146-F196 HydrophobicContact CB-CB 3.63Å; C146-F196 VanDerWaalsContact SG-CB 3.6Å; K149-F196 CarbonylContact O-C 3.55Å; K149-F196 WeakPolarHBondContact O-CA 3.38Å; N194-F196 WeakPolarHBondContact O-CD2 3.15Å; N194-F196 WeakPolarHBondContact O-CE2 3.46Å; F196-L203 CarbonylContact O-C 3.54Å; F196-L203 WeakPolarHBondContact O-CA 3.29Å; F196-K204 HydrophobicContact CB-CB 4.25Å; F196-K204 PolarHBondContact N-O 3.14Å; F196-K204 PolarHBondContact O-N 2.99Å
197	V	98.4	Very high	96.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.1	-177.1	-175.6	0	0	0	0	110.6	C146 R148 K149 L151 I154 Y169 M201 E202	C146-V197 CarbonylContact C-O 3.58Å; C146-V197 WeakPolarHBondContact CB-O 3.27Å; R148-V197 HydrophobicContact CB-CB 3.97Å; R148-V197 HydrophobicContact CB-CG1 3.95Å; R148-V197 WeakPolarHBondContact CB-O 3.4Å; R148-V197 PolarHBondContact N-O 3.36Å; R148-V197 VanDerWaalsContact N-O 3.07Å; K149-V197 PolarHBondContact O-N 3.36Å; L151-V197 HydrophobicContact CD2-CG2 4.03Å; L151-V197 HydrophobicContact CG-CG2 4.47Å; I154-V197 HydrophobicContact CD1-CB 4.41Å; I154-V197 HydrophobicContact CD1-CG2 3.98Å; Y169-V197 HydrophobicContact CE1-CG2 4.5Å; V197-M201 HydrophobicContact CG1-SD 4.3Å; V197-E202 WeakPolarHBondContact CA-O 3.4Å
198	S	96.9	Very high	96.7	Very high	12 Å²	12	26.2 Å²	26.2	8%	0.084	14%	0.138	C	C	.	.			trans	-72.7	173.5	179.9	71.7	0	0	0	0	112.5	R148 S200 M201 E202	R148-S198 WeakPolarHBondContact CD-O 3.4Å; R148-S198 VanDerWaalsContact CG-O 3.29Å; R148-S198 WeakPolarHBondContact CG-O 3.24Å; R148-S198 PolarHBondContact NE-O 3.25Å; S198-S200 PolarHBondContact O-N 3.42Å; S198-S200 PolarHBondContact OG-N 3.37Å; S198-S200 PolarHBondContact OG-OG 2.9Å; S198-M201 PolarHBondContact O-N 3.07Å; S198-M201 VanDerWaalsContact O-N 3.14Å; S198-M201 PolarHBondContact OG-N 3.11Å; S198-E202 PolarHBondContact N-O 2.91Å; S198-E202 WeakPolarHBondContact OG-CB 3.46Å; S198-E202 PolarHBondContact OG-N 3.37Å; S198-E202 PolarHBondContact OG-O 2.92Å
199	E	95.7	Very high	96.4	Very high	142 Å²	142	26.3 Å²	26.3	66%	0.664	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-34.1	170.1	-172.9	158.4	-155.9	0	0	112.7	S147 R148 M201	S147-E199 WeakPolarHBondContact OG-CA 3.36Å; S147-E199 WeakPolarHBondContact OG-CB 3.45Å; S147-E199 PolarHBondContact OG-N 3.2Å; R148-E199 VanDerWaalsContact CZ-O 3.25Å; R148-E199 PolarHBondContact NE-O 2.9Å; R148-E199 PolarHBondContact NH2-O 3.24Å; E199-M201 PolarHBondContact O-N 3.09Å
200	S	95.9	Very high	96.2	Very high	64 Å²	64	28.8 Å²	28.8	45%	0.448	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	6.1	175.2	47.3	0	0	0	0	114.9	S198 E202	S198-S200 PolarHBondContact O-N 3.42Å; S198-S200 PolarHBondContact OG-N 3.37Å; S198-S200 PolarHBondContact OG-OG 2.9Å; S200-E202 WeakPolarHBondContact CB-OE2 3.09Å; S200-E202 PolarHBondContact O-N 2.83Å; S200-E202 PolarHBondContact OG-OE2 3.45Å
201	M	97.2	Very high	96	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.163	C	C	.	.	S	Bend	trans	66	10.1	-172.1	-67.9	-71.6	-66.4	0	0	114.7	R148 Y168 Y169 V197 S198 E199 L327 S328 C331 C332	R148-M201 WeakPolarHBondContact CD-SD 3.17Å; Y168-M201 WeakPolarHBondContact CE1-O 3.5Å; Y168-M201 PolarHBondContact OH-O 2.83Å; Y168-M201 VanDerWaalsContact OH-O 3.14Å; Y169-M201 VanDerWaalsContact OH-CE 3.25Å; Y169-M201 WeakPolarHBondContact OH-CE 3.29Å; V197-M201 HydrophobicContact CG1-SD 4.3Å; S198-M201 PolarHBondContact O-N 3.07Å; S198-M201 VanDerWaalsContact O-N 3.14Å; S198-M201 PolarHBondContact OG-N 3.11Å; E199-M201 PolarHBondContact O-N 3.09Å; M201-L327 HydrophobicContact CB-CB 4.38Å; M201-L327 HydrophobicContact CE-CB 3.76Å; M201-L327 HydrophobicContact CE-CD1 4.3Å; M201-L327 WeakPolarHBondContact CG-O 3.48Å; M201-S328 WeakPolarHBondContact CE-O 3.08Å; M201-C331 HydrophobicContact CE-CB 3.92Å; M201-C332 VanDerWaalsContact SD-SG 3.68Å
202	E	98.1	Very high	95.9	Very high	56 Å²	56	27.2 Å²	27.2	26%	0.262	16%	0.156	S	C	.	.			trans	-82.4	142.5	-179	-60.9	173.3	121.1	0	0	111	K124 V197 S198 S200	K124-E202 WeakPolarHBondContact CE-OE1 3.19Å; K124-E202 IonicContact NZ-OE1 2.73Å; K124-E202 PolarHBondContact NZ-OE1 2.81Å; V197-E202 WeakPolarHBondContact CA-O 3.4Å; S198-E202 PolarHBondContact N-O 2.91Å; S198-E202 WeakPolarHBondContact OG-CB 3.46Å; S198-E202 PolarHBondContact OG-N 3.37Å; S198-E202 PolarHBondContact OG-O 2.92Å; S200-E202 WeakPolarHBondContact CB-OE2 3.09Å; S200-E202 PolarHBondContact O-N 2.83Å; S200-E202 PolarHBondContact OG-OE2 3.45Å
203	L	98.6	Very high	95.7	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	141	-171.8	-177.2	151.6	0	0	0	112.1	N125 L151 Y169 Q172 I173 F195 F196 V205	N125-L203 WeakPolarHBondContact CA-O 3.29Å; N125-L203 PolarHBondContact ND2-O 3.18Å; L151-L203 HydrophobicContact CD1-CD1 3.68Å; L151-L203 HydrophobicContact CG-CD1 4.17Å; Y169-L203 HydrophobicContact CD1-CB 4.38Å; Y169-L203 HydrophobicContact CD1-CD1 3.79Å; Y169-L203 HydrophobicContact CG-CD1 4.23Å; Q172-L203 HydrophobicContact CB-CB 3.89Å; Q172-L203 HydrophobicContact CB-CD2 4.35Å; I173-L203 HydrophobicContact CB-CD2 4.46Å; I173-L203 HydrophobicContact CD1-CD1 3.93Å; I173-L203 HydrophobicContact CG1-CD1 3.59Å; I173-L203 HydrophobicContact CG1-CD2 3.55Å; I173-L203 HydrophobicContact CG1-CG 4.25Å; F195-L203 HydrophobicContact CB-CD1 4.03Å; F195-L203 HydrophobicContact CB-CD2 4.34Å; F195-L203 HydrophobicContact CB-CG 4.2Å; F195-L203 HydrophobicContact CD1-CD2 4.27Å; F196-L203 CarbonylContact O-C 3.54Å; F196-L203 WeakPolarHBondContact O-CA 3.29Å; L203-V205 HydrophobicContact CD2-CG2 4.22Å
204	K	98.7	Very high	95.5	Very high	22 Å²	22	33.4 Å²	33.4	10%	0.096	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	116.6	-176.9	-60.8	-70.3	-170.9	146.5	0	110.7	K124 N125 I126 V127 E144 F195 F196	K124-K204 VanDerWaalsContact O-CD 3.27Å; K124-K204 WeakPolarHBondContact O-CD 3.11Å; K124-K204 WeakPolarHBondContact O-CE 3.27Å; K124-K204 PolarHBondContact O-NZ 3.05Å; N125-K204 CarbonylContact O-C 3.52Å; N125-K204 WeakPolarHBondContact O-CA 3.06Å; I126-K204 WeakPolarHBondContact O-CD 3.46Å; V127-K204 HydrophobicContact CG2-CB 3.62Å; E144-K204 WeakPolarHBondContact OE1-CE 3.34Å; E144-K204 IonicContact OE1-NZ 2.72Å; E144-K204 PolarHBondContact OE1-NZ 2.7Å; E144-K204 VanDerWaalsContact OE2-CE 3.29Å; E144-K204 WeakPolarHBondContact OE2-CE 3.42Å; E144-K204 IonicContact OE2-NZ 3.22Å; E144-K204 PolarHBondContact OE2-NZ 2.6Å; F195-K204 CarbonylContact C-O 3.5Å; F196-K204 HydrophobicContact CB-CB 4.25Å; F196-K204 PolarHBondContact N-O 3.14Å; F196-K204 PolarHBondContact O-N 2.99Å
205	V	98.7	Very high	95	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	135.7	172.4	-170.3	0	0	0	0	109.8	N125 I126 V127 L190 F195 L203	N125-V205 PolarHBondContact O-N 3.35Å; I126-V205 HydrophobicContact CD1-CB 3.89Å; I126-V205 HydrophobicContact CD1-CG2 4.31Å; V127-V205 WeakPolarHBondContact CG2-O 3.25Å; V127-V205 PolarHBondContact N-O 2.93Å; L190-V205 HydrophobicContact CD2-CG1 4Å; F195-V205 HydrophobicContact CD1-CB 4.37Å; F195-V205 HydrophobicContact CD1-CG1 4.24Å; F195-V205 HydrophobicContact CD1-CG2 3.93Å; F195-V205 HydrophobicContact CE1-CB 4.49Å; F195-V205 HydrophobicContact CE1-CG1 4.01Å; F195-V205 HydrophobicContact CE1-CG2 3.96Å; L203-V205 HydrophobicContact CD2-CG2 4.22Å
206	G	96	Very high	94.4	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.			trans	-164.5	-172.1	178	0	0	0	0	0	115.3	H187 N194	H187-G206 PolarHBondContact NE2-O 3.2Å; N194-G206 WeakPolarHBondContact CB-O 3.38Å; N194-G206 PolarHBondContact O-N 2.86Å
207	D	91.8	Very high	93.4	Very high	61 Å²	61	40.8 Å²	40.8	33%	0.326	23%	0.234	S	C	.	.			trans	65.9	68.8	-164.8	-162.7	27.4	0	0	0	113.4	K95 G209	K95-D207 IonicContact NZ-OD1 3.79Å; K95-D207 PolarHBondContact NZ-OD1 2.93Å; D207-G209 PolarHBondContact O-N 2.89Å; D207-G209 VanDerWaalsContact O-N 3.1Å
208	F	94.4	Very high	92.3	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	27%	0.265	C	S	.	.			trans	-74.9	12.7	-178.8	-69	-88.3	0	0	0	114.3	E114 H118 L121 I126 L180 H187 L210 A211	E114-F208 HydrophobicContact CG-CB 4.23Å; H118-F208 HydrophobicContact CB-CB 4.36Å; H118-F208 HydrophobicContact CB-CD2 4.11Å; H118-F208 HydrophobicContact CB-CG 4.34Å; H118-F208 AromaticContact CD2-CD2 3.56Å; H118-F208 AromaticContact CD2-CE2 3.55Å; H118-F208 AromaticContact CE1-CD2 3.68Å; H118-F208 AromaticContact CE1-CE2 3.9Å; H118-F208 AromaticContact CG-CD2 3.48Å; H118-F208 VanDerWaalsContact CG-CD2 3.48Å; H118-F208 AromaticContact CG-CE2 3.98Å; H118-F208 AromaticContact ND1-CD2 3.55Å; H118-F208 AromaticContact NE2-CD2 3.69Å; H118-F208 AromaticContact NE2-CE2 3.51Å; L121-F208 HydrophobicContact CD1-CD1 4.15Å; L121-F208 HydrophobicContact CD1-CE1 3.57Å; L121-F208 HydrophobicContact CD1-CE2 4.06Å; L121-F208 HydrophobicContact CD1-CZ 3.53Å; I126-F208 HydrophobicContact CD1-CZ 4.5Å; I126-F208 HydrophobicContact CG2-CE2 3.95Å; I126-F208 HydrophobicContact CG2-CZ 3.79Å; L180-F208 HydrophobicContact CD1-CE1 3.86Å; L180-F208 HydrophobicContact CD1-CZ 4.27Å; L180-F208 HydrophobicContact CD2-CE1 3.69Å; L180-F208 HydrophobicContact CD2-CZ 3.99Å; L180-F208 HydrophobicContact CG-CE1 4.45Å; H187-F208 AromaticContact CD2-CE1 3.77Å; F208-L210 PolarHBondContact O-N 3.5Å; F208-A211 HydrophobicContact CB-CB 4Å; F208-A211 HydrophobicContact CD1-CB 3.87Å; F208-A211 HydrophobicContact CG-CB 4.45Å; F208-A211 VanDerWaalsContact O-CB 3.23Å; F208-A211 WeakPolarHBondContact O-CB 3.42Å; F208-A211 PolarHBondContact O-N 3.5Å
209	G	89.4	Confident	91.7	Very high	31 Å²	31	48.7 Å²	48.7	32%	0.32	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-5.2	-174.3	0	0	0	0	0	116.3	E114 D207	E114-G209 VanDerWaalsContact OE2-CA 3.29Å; E114-G209 WeakPolarHBondContact OE2-CA 3.48Å; D207-G209 PolarHBondContact O-N 2.89Å; D207-G209 VanDerWaalsContact O-N 3.1Å
210	L	90.4	Very high	91.1	Very high	67 Å²	67	44.3 Å²	44.3	35%	0.351	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	2.1	170	-69.5	178.2	0	0	0	113.6	R188 D189 F208 C225	R188-L210 PolarHBondContact NH1-O 3.25Å; D189-L210 HydrophobicContact CB-CB 4.3Å; D189-L210 HydrophobicContact CB-CD1 3.87Å; F208-L210 PolarHBondContact O-N 3.5Å; L210-C225 HydrophobicContact CD1-CB 4.47Å; L210-C225 HydrophobicContact CD2-CB 4.25Å
211	A	94.4	Very high	90.3	Very high	7 Å²	7	46.8 Å²	46.8	6%	0.058	27%	0.267	C	S	.	.			trans	-67.9	156	-177.4	0	0	0	0	0	112.2	L117 I185 L186 F208	L117-A211 HydrophobicContact CD1-CB 4.32Å; I185-A211 HydrophobicContact CG2-CB 4.44Å; L186-A211 VanDerWaalsContact O-CA 3.27Å; L186-A211 WeakPolarHBondContact O-CA 3.4Å; L186-A211 WeakPolarHBondContact O-CB 3.46Å; F208-A211 HydrophobicContact CB-CB 4Å; F208-A211 HydrophobicContact CD1-CB 3.87Å; F208-A211 HydrophobicContact CG-CB 4.45Å; F208-A211 VanDerWaalsContact O-CB 3.23Å; F208-A211 WeakPolarHBondContact O-CB 3.42Å; F208-A211 PolarHBondContact O-N 3.5Å
212	A	92.9	Very high	89.7	Confident	4 Å²	4	52.8 Å²	52.8	3%	0.033	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	154.3	176.3	0	0	0	0	0	110.2	L186	L186-A212 PolarHBondContact N-O 3.47Å; L186-A212 PolarHBondContact O-N 2.98Å; L186-A212 VanDerWaalsContact O-N 3.17Å
213	K	93.3	Very high	89	Confident	107 Å²	107	55 Å²	55	47%	0.465	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	145.4	160.7	-61.5	-168.4	-177.1	-176.1	0	110.2	L117 E184	L117-K213 HydrophobicContact CD2-CG 3.91Å; E184-K213 CarbonylContact O-C 3.56Å; E184-K213 WeakPolarHBondContact O-CA 3.32Å
214	L	90.4	Very high	88.4	Confident	55 Å²	55	58.3 Å²	58.3	29%	0.288	33%	0.327	S	S	.	.			trans	-61.7	140.1	170.6	179.1	60.6	0	0	0	108.6	E184 L186	E184-L214 HydrophobicContact CB-CB 4.29Å; E184-L214 PolarHBondContact O-N 3.17Å; L186-L214 HydrophobicContact CD1-CD1 3.93Å; L186-L214 HydrophobicContact CD2-CD1 4.23Å; L186-L214 HydrophobicContact CG-CB 4.46Å; L186-L214 HydrophobicContact CG-CD1 4.2Å
215	E	87.8	Confident	87.7	Confident	57 Å²	57	58.5 Å²	58.5	27%	0.266	33%	0.331	S	S	.	.			trans	-120.3	142.8	179	-58	-89.4	-169.4	0	0	107.5	N219 R220 R221	E215-N219 HydrophobicContact CB-CB 4.25Å; E215-R220 WeakPolarHBondContact O-CG 3.39Å; E215-R221 IonicContact OE1-NE 3.44Å; E215-R221 IonicContact OE1-NH2 3.81Å
216	P	84.3	Confident	87.1	Confident	92 Å²	92	59.4 Å²	59.4	60%	0.597	34%	0.341	S	S	*	.			trans	-52.8	150.1	171.7	-26.6	35	0	0	0	111.8	G218 N219 R220	P216-G218 VanDerWaalsContact C-N 3.28Å; P216-G218 PolarHBondContact O-N 2.95Å; P216-N219 CarbonylContact O-C 3.59Å; P216-N219 WeakPolarHBondContact O-CA 3.06Å; P216-N219 PolarHBondContact O-N 3.36Å; P216-R220 PolarHBondContact O-N 2.93Å; P216-R220 VanDerWaalsContact O-N 3.11Å
217	A	77.8	Confident	86.6	Confident	77 Å²	77	61.3 Å²	61.3	64%	0.636	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-48.9	-41.9	-168.3	0	0	0	0	0	114.9	N219	A217-N219 VanDerWaalsContact C-N 3.31Å; A217-N219 PolarHBondContact O-N 3.37Å
218	G	76.6	Confident	86.2	Confident	64 Å²	64	60.6 Å²	60.6	66%	0.66	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-66.2	-27.8	176.9	0	0	0	0	0	114.9	P216	P216-G218 VanDerWaalsContact C-N 3.28Å; P216-G218 PolarHBondContact O-N 2.95Å
219	N	83.4	Confident	85.9	Confident	114 Å²	114	61.9 Å²	61.9	61%	0.61	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-98.1	-7	-176.8	-65.7	-0.8	0	0	0	113.2	E215 P216 A217 R221	E215-N219 HydrophobicContact CB-CB 4.25Å; P216-N219 CarbonylContact O-C 3.59Å; P216-N219 WeakPolarHBondContact O-CA 3.06Å; P216-N219 PolarHBondContact O-N 3.36Å; A217-N219 VanDerWaalsContact C-N 3.31Å; A217-N219 PolarHBondContact O-N 3.37Å; N219-R221 PolarHBondContact O-N 3.34Å
220	R	84.1	Confident	86.1	Confident	50 Å²	50	62 Å²	62	19%	0.189	35%	0.349	C	S	.	.			trans	-50.5	126.8	-178.8	-76.1	-178.8	177.1	-162.8	-3.9	111.4	E215 P216 K222 H241 E244	E215-R220 WeakPolarHBondContact O-CG 3.39Å; P216-R220 PolarHBondContact O-N 2.93Å; P216-R220 VanDerWaalsContact O-N 3.11Å; R220-K222 WeakPolarHBondContact O-CG 3.44Å; R220-K222 PolarHBondContact O-N 3.02Å; R220-K222 VanDerWaalsContact O-N 3.11Å; R220-H241 WeakPolarHBondContact CD-O 3.39Å; R220-E244 IonicContact CZ-OE1 2.65Å; R220-E244 IonicContact CZ-OE2 2.82Å; R220-E244 IonicContact NH1-OE1 2.71Å; R220-E244 IonicContact NH1-OE2 2.89Å; R220-E244 PolarHBondContact NH1-OE2 3.18Å; R220-E244 IonicContact NH2-OE1 3.76Å; R220-E244 PolarHBondContact NH2-OE1 3.05Å; R220-E244 IonicContact NH2-OE2 3.22Å; R220-E244 PolarHBondContact NH2-OE2 2.81Å
221	R	77.3	Confident	86.4	Confident	115 Å²	115	59.1 Å²	59.1	43%	0.434	33%	0.334	S	S	.	.			trans	-64.1	111.2	-175.3	-66.3	179.6	179.7	-143.3	-8.6	111	E215 N219 T223	E215-R221 IonicContact OE1-NE 3.44Å; E215-R221 IonicContact OE1-NH2 3.81Å; N219-R221 PolarHBondContact O-N 3.34Å; R221-T223 PolarHBondContact O-N 2.89Å; R221-T223 VanDerWaalsContact O-N 3.14Å
222	K	84.4	Confident	86.5	Confident	128 Å²	128	58.8 Å²	58.8	56%	0.557	33%	0.332	S	S	*	.			trans	-78.1	9.9	-175.2	-54.1	-175.4	179.1	175.4	0	114.6	R220 K238	R220-K222 WeakPolarHBondContact O-CG 3.44Å; R220-K222 PolarHBondContact O-N 3.02Å; R220-K222 VanDerWaalsContact O-N 3.11Å; K222-K238 HydrophobicContact CB-CB 4.44Å; K222-K238 WeakPolarHBondContact CB-O 3.34Å; K222-K238 WeakPolarHBondContact CD-O 3.1Å; K222-K238 VanDerWaalsContact CG-O 3.28Å; K222-K238 WeakPolarHBondContact CG-O 3.18Å
223	T	84.1	Confident	86.7	Confident	102 Å²	102	58.8 Å²	58.8	63%	0.626	33%	0.331	S	S	*	.			trans	-81.2	115.8	179.2	-51.7	0	0	0	0	110.7	R221 C225 H241	R221-T223 PolarHBondContact O-N 2.89Å; R221-T223 VanDerWaalsContact O-N 3.14Å; T223-C225 PolarHBondContact O-N 3.45Å; T223-H241 PolarHBondContact O-CE1 3.14Å
224	I	87	Confident	86.8	Confident	69 Å²	69	54 Å²	54	35%	0.354	31%	0.31	S	S	.	.			trans	-64	119.1	174.2	-56.5	177.6	0	0	0	109.3	L231 V235 L236	I224-L231 HydrophobicContact CG2-CD1 3.95Å; I224-V235 WeakPolarHBondContact CG1-O 3.31Å; I224-V235 HydrophobicContact CG2-CG1 4.28Å; I224-L236 HydrophobicContact CG2-CD2 4.32Å
225	C	84.3	Confident	87	Confident	26 Å²	26	51.5 Å²	51.5	18%	0.176	30%	0.298	C	S	.	.			trans	-154.7	159.1	171.3	66.8	0	0	0	0	110.4	R188 L210 T223 L231 H241	R188-C225 PolarHBondContact NH1-SG 3.44Å; R188-C225 PolarHBondContact NH2-SG 3.34Å; L210-C225 HydrophobicContact CD1-CB 4.47Å; L210-C225 HydrophobicContact CD2-CB 4.25Å; T223-C225 PolarHBondContact O-N 3.45Å; C225-L231 VanDerWaalsContact O-CD2 3.26Å; C225-L231 WeakPolarHBondContact O-CD2 3.13Å; C225-H241 PolarHBondContact O-NE2 3.23Å
226	G	85	Confident	87.3	Confident	20 Å²	20	49 Å²	49	21%	0.206	29%	0.286	C	S	.	.	S	Bend	trans	117.3	169.8	-168.6	0	0	0	0	0	110.8
227	T	85.5	Confident	87.7	Confident	41 Å²	41	48.4 Å²	48.4	25%	0.252	28%	0.278	S	S	.	.			trans	-78.1	126.8	-178.8	-58.3	0	0	0	0	111	D189 K191 N229 Y230 L231	D189-T227 WeakPolarHBondContact OD1-CB 3.29Å; D189-T227 PolarHBondContact OD1-N 3.33Å; D189-T227 PolarHBondContact OD1-OG1 2.78Å; K191-T227 HydrophobicContact CD-CG2 4.36Å; K191-T227 WeakPolarHBondContact CD-OG1 3.38Å; K191-T227 PolarHBondContact NZ-OG1 2.81Å; T227-N229 PolarHBondContact O-N 3.25Å; T227-N229 VanDerWaalsContact O-N 3.14Å; T227-Y230 HydrophobicContact CG2-CD2 3.9Å; T227-Y230 HydrophobicContact CG2-CE2 4.21Å; T227-Y230 PolarHBondContact O-N 3.37Å; T227-L231 PolarHBondContact O-N 3.43Å
228	P	84.3	Confident	88.3	Confident	45 Å²	45	51.3 Å²	51.3	29%	0.292	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-47.5	-47.1	-166.9	-35.2	37.2	0	0	0	117.7	Y230 L231 L269 Y273 I276	P228-Y230 PolarHBondContact O-N 3.15Å; P228-Y230 VanDerWaalsContact O-N 3.07Å; P228-L231 PolarHBondContact O-N 2.78Å; P228-L269 HydrophobicContact CB-CD2 3.71Å; P228-L269 HydrophobicContact CG-CD2 3.89Å; P228-Y273 HydrophobicContact CB-CE1 4.17Å; P228-I276 WeakPolarHBondContact O-CD1 3.34Å
229	N	86.9	Confident	89	Confident	29 Å²	29	53.9 Å²	53.9	16%	0.155	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-69.6	-2.6	-179	-66.9	-14.3	0	0	0	114.3	T227 C252 P262 E265	T227-N229 PolarHBondContact O-N 3.25Å; T227-N229 VanDerWaalsContact O-N 3.14Å; N229-C252 PolarHBondContact O-SG 3.44Å; N229-C252 VanDerWaalsContact O-SG 3.34Å; N229-P262 HydrophobicContact CB-CB 3.91Å; N229-P262 HydrophobicContact CB-CG 4.21Å; N229-E265 PolarHBondContact ND2-OE1 3.26Å
230	Y	94.3	Very high	89.2	Confident	32 Å²	32	48.5 Å²	48.5	13%	0.125	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-120.7	1.2	179.1	-55.5	-97.5	0	0	0	112.2	L190 K191 T227 P228 C252 V253	L190-Y230 WeakPolarHBondContact O-CD1 3.17Å; K191-Y230 HydrophobicContact CB-CD1 4.27Å; K191-Y230 HydrophobicContact CB-CD2 4.14Å; K191-Y230 HydrophobicContact CB-CE1 4.06Å; K191-Y230 HydrophobicContact CB-CE2 3.93Å; K191-Y230 HydrophobicContact CB-CG 4.32Å; T227-Y230 HydrophobicContact CG2-CD2 3.9Å; T227-Y230 HydrophobicContact CG2-CE2 4.21Å; T227-Y230 PolarHBondContact O-N 3.37Å; P228-Y230 PolarHBondContact O-N 3.15Å; P228-Y230 VanDerWaalsContact O-N 3.07Å; Y230-C252 HydrophobicContact CD1-CB 3.61Å; Y230-C252 HydrophobicContact CE1-CB 4.07Å; Y230-C252 HydrophobicContact CG-CB 4.38Å; Y230-V253 HydrophobicContact CD1-CG2 4.06Å; Y230-V253 HydrophobicContact CE1-CG2 3.74Å
231	L	95.5	Very high	89.5	Confident	7 Å²	7	46.7 Å²	46.7	4%	0.037	24%	0.236	C	C	.	.			trans	-70.8	142.6	174.1	-64.2	178.7	0	0	0	110.3	I224 C225 T227 P228 V235 L236 W248 Y273 I276	I224-L231 HydrophobicContact CG2-CD1 3.95Å; C225-L231 VanDerWaalsContact O-CD2 3.26Å; C225-L231 WeakPolarHBondContact O-CD2 3.13Å; T227-L231 PolarHBondContact O-N 3.43Å; P228-L231 PolarHBondContact O-N 2.78Å; L231-V235 HydrophobicContact CD2-CG1 4.27Å; L231-L236 HydrophobicContact CB-CD2 4.18Å; L231-L236 HydrophobicContact CB-CG 4.29Å; L231-L236 HydrophobicContact CD1-CD2 3.76Å; L231-W248 PolarHBondContact O-NE1 3.21Å; L231-Y273 HydrophobicContact CD1-CE1 4Å; L231-I276 VanDerWaalsContact O-CG2 3.25Å; L231-I276 WeakPolarHBondContact O-CG2 3.42Å
232	S	96.9	Very high	90.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.007	22%	0.216	C	C	.	.			trans	-95.1	161.2	-178.9	63.3	0	0	0	0	113.2	E234 V235 L236 W248	S232-E234 VanDerWaalsContact C-N 3.33Å; S232-E234 WeakPolarHBondContact CB-OE1 3.3Å; S232-E234 WeakPolarHBondContact CB-OE2 3.37Å; S232-E234 PolarHBondContact O-N 3.12Å; S232-E234 PolarHBondContact OG-OE1 3.22Å; S232-E234 PolarHBondContact OG-OE2 2.84Å; S232-V235 PolarHBondContact O-N 2.87Å; S232-V235 VanDerWaalsContact OG-CG2 3.3Å; S232-V235 WeakPolarHBondContact OG-CG2 3.39Å; S232-L236 PolarHBondContact O-N 3.5Å; S232-W248 VanDerWaalsContact CA-CD1 3.5Å
233	P	97.1	Very high	90.8	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-54.6	-46.4	-179.5	-23.9	31.8	0	0	0	112.7	V235 L236 N237 W248 I276	P233-V235 PolarHBondContact O-N 2.63Å; P233-L236 CarbonylContact O-C 3.6Å; P233-L236 PolarHBondContact O-N 2.94Å; P233-N237 WeakPolarHBondContact O-CB 3.21Å; P233-N237 PolarHBondContact O-N 2.65Å; P233-N237 PolarHBondContact O-ND2 3.39Å; P233-W248 HydrophobicContact CG-CE3 4.17Å; P233-W248 HydrophobicContact CG-CH2 3.62Å; P233-W248 HydrophobicContact CG-CZ2 4.1Å; P233-W248 HydrophobicContact CG-CZ3 3.66Å; P233-I276 HydrophobicContact CG-CG2 4.43Å
234	E	95.5	Very high	91.4	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.023	18%	0.179	C	C	.	.	H	α-helix	trans	-67.5	-34	-175.9	69.5	-75	172.2	0	0	113	S232 N237 K238 Q239 S245 P303 R306	S232-E234 VanDerWaalsContact C-N 3.33Å; S232-E234 WeakPolarHBondContact CB-OE1 3.3Å; S232-E234 WeakPolarHBondContact CB-OE2 3.37Å; S232-E234 PolarHBondContact O-N 3.12Å; S232-E234 PolarHBondContact OG-OE1 3.22Å; S232-E234 PolarHBondContact OG-OE2 2.84Å; E234-N237 CarbonylContact O-C 3.59Å; E234-N237 PolarHBondContact O-N 2.89Å; E234-K238 PolarHBondContact O-N 3.07Å; E234-Q239 VanDerWaalsContact CA-OE1 3.26Å; E234-Q239 HydrophobicContact CB-CB 4.14Å; E234-Q239 WeakPolarHBondContact O-CB 3.46Å; E234-Q239 PolarHBondContact O-N 3.18Å; E234-S245 VanDerWaalsContact OE1-CA 3.29Å; E234-S245 WeakPolarHBondContact OE1-CA 3.33Å; E234-S245 VanDerWaalsContact OE1-CB 3.3Å; E234-S245 WeakPolarHBondContact OE1-CB 3.18Å; E234-S245 PolarHBondContact OE1-OG 3.45Å; E234-P303 HydrophobicContact CB-CG 3.88Å; E234-P303 HydrophobicContact CG-CG 3.87Å; E234-R306 VanDerWaalsContact CD-NH1 3.31Å; E234-R306 IonicContact OE1-CZ 2.74Å; E234-R306 IonicContact OE1-NH1 2.75Å; E234-R306 PolarHBondContact OE1-NH1 2.9Å; E234-R306 IonicContact OE1-NH2 3.41Å; E234-R306 IonicContact OE2-CZ 3.51Å; E234-R306 IonicContact OE2-NH1 2.69Å; E234-R306 PolarHBondContact OE2-NH1 2.67Å; E234-R306 VanDerWaalsContact OE2-NH1 3.12Å; E234-R306 IonicContact OE2-NH2 3.39Å; E234-R306 PolarHBondContact OE2-NH2 3.45Å
235	V	94.8	Very high	91.8	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.024	16%	0.164	C	C	.	.	H	α-helix	trans	-67.1	-47.5	172.1	171.8	0	0	0	0	110.3	I224 L231 S232 P233 N237 K238 H241	I224-V235 WeakPolarHBondContact CG1-O 3.31Å; I224-V235 HydrophobicContact CG2-CG1 4.28Å; L231-V235 HydrophobicContact CD2-CG1 4.27Å; S232-V235 PolarHBondContact O-N 2.87Å; S232-V235 VanDerWaalsContact OG-CG2 3.3Å; S232-V235 WeakPolarHBondContact OG-CG2 3.39Å; P233-V235 PolarHBondContact O-N 2.63Å; V235-N237 PolarHBondContact O-N 3.43Å; V235-K238 PolarHBondContact O-N 3.32Å; V235-H241 HydrophobicContact CG2-CB 4.33Å; V235-H241 VanDerWaalsContact CG2-CD2 3.46Å; V235-H241 WeakPolarHBondContact CG2-CD2 3.35Å
236	L	94.4	Very high	92.5	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-64.9	-22.4	176	-68.8	-171.2	0	0	0	113.3	I224 L231 S232 P233 Y273 I276 R277	I224-L236 HydrophobicContact CG2-CD2 4.32Å; L231-L236 HydrophobicContact CB-CD2 4.18Å; L231-L236 HydrophobicContact CB-CG 4.29Å; L231-L236 HydrophobicContact CD1-CD2 3.76Å; S232-L236 PolarHBondContact O-N 3.5Å; P233-L236 CarbonylContact O-C 3.6Å; P233-L236 PolarHBondContact O-N 2.94Å; L236-Y273 HydrophobicContact CD1-CD1 3.72Å; L236-Y273 HydrophobicContact CD1-CG 4.02Å; L236-Y273 HydrophobicContact CD2-CD1 3.85Å; L236-Y273 HydrophobicContact CD2-CE1 3.9Å; L236-Y273 HydrophobicContact CD2-CG 4.21Å; L236-Y273 HydrophobicContact CG-CD1 4.48Å; L236-I276 HydrophobicContact CD1-CB 3.75Å; L236-I276 HydrophobicContact CD1-CD1 4.1Å; L236-I276 HydrophobicContact CD1-CG2 3.48Å; L236-I276 VanDerWaalsContact CD1-CG2 3.48Å; L236-I276 HydrophobicContact CG-CG2 4.29Å; L236-R277 HydrophobicContact CB-CG 4.21Å; L236-R277 HydrophobicContact CD1-CG 4.4Å; L236-R277 PolarHBondContact O-NH2 2.9Å
237	N	93.1	Very high	93.1	Very high	79 Å²	79	29.1 Å²	29.1	42%	0.422	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	6.3	175.2	-65.5	-18.7	0	0	0	113.3	P233 E234 V235 Q239 R277	P233-N237 WeakPolarHBondContact O-CB 3.21Å; P233-N237 PolarHBondContact O-N 2.65Å; P233-N237 PolarHBondContact O-ND2 3.39Å; E234-N237 CarbonylContact O-C 3.59Å; E234-N237 PolarHBondContact O-N 2.89Å; V235-N237 PolarHBondContact O-N 3.43Å; N237-Q239 HydrophobicContact CB-CG 4.42Å; N237-Q239 PolarHBondContact O-N 3.4Å; N237-R277 WeakPolarHBondContact OD1-CD 3.18Å; N237-R277 PolarHBondContact OD1-NE 3.36Å
238	K	90.8	Very high	93.7	Very high	139 Å²	139	27.1 Å²	27.1	60%	0.604	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	23.8	180	-54.4	178.7	-179.7	176.6	0	114.4	K222 E234 V235	K222-K238 HydrophobicContact CB-CB 4.44Å; K222-K238 WeakPolarHBondContact CB-O 3.34Å; K222-K238 WeakPolarHBondContact CD-O 3.1Å; K222-K238 VanDerWaalsContact CG-O 3.28Å; K222-K238 WeakPolarHBondContact CG-O 3.18Å; E234-K238 PolarHBondContact O-N 3.07Å; V235-K238 PolarHBondContact O-N 3.32Å
239	Q	89.8	Confident	94.4	Very high	117 Å²	117	25.2 Å²	25.2	55%	0.547	13%	0.125	S	C	.	.	S	Bend	trans	-74.2	-22.2	171	-67.2	164.4	-57	0	0	110.9	E234 N237	E234-Q239 VanDerWaalsContact CA-OE1 3.26Å; E234-Q239 HydrophobicContact CB-CB 4.14Å; E234-Q239 WeakPolarHBondContact O-CB 3.46Å; E234-Q239 PolarHBondContact O-N 3.18Å; N237-Q239 HydrophobicContact CB-CG 4.42Å; N237-Q239 PolarHBondContact O-N 3.4Å
240	G	88.5	Confident	95	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.021	12%	0.118	C	C	.	.			trans	110.8	176.2	176	0	0	0	0	0	112.1
241	H	90.4	Very high	95.2	Very high	12 Å²	12	22.4 Å²	22.4	6%	0.056	11%	0.112	C	C	.	.			trans	-91.2	140.9	172.2	-61.4	76.8	0	0	0	110.5	L186 R188 R220 T223 C225 V235	L186-H241 HydrophobicContact CD1-CB 4.25Å; R188-H241 HydrophobicContact CG-CB 4.21Å; R188-H241 VanDerWaalsContact NE-CG 3.3Å; R188-H241 PolarHBondContact NE-ND1 3.26Å; R188-H241 PolarHBondContact NH2-CE1 3.15Å; R188-H241 PolarHBondContact NH2-ND1 3.24Å; R220-H241 WeakPolarHBondContact CD-O 3.39Å; T223-H241 PolarHBondContact O-CE1 3.14Å; C225-H241 PolarHBondContact O-NE2 3.23Å; V235-H241 HydrophobicContact CG2-CB 4.33Å; V235-H241 VanDerWaalsContact CG2-CD2 3.46Å; V235-H241 WeakPolarHBondContact CG2-CD2 3.35Å
242	G	92.9	Very high	95.3	Very high	1 Å²	1	22 Å²	22	1%	0.01	11%	0.11	C	C	.	.			trans	-136.7	-171.3	165.8	0	0	0	0	0	111.7	E244 S245	G242-E244 VanDerWaalsContact CA-OE2 3.26Å; G242-E244 WeakPolarHBondContact CA-OE2 3.42Å; G242-E244 PolarHBondContact O-N 2.89Å; G242-S245 PolarHBondContact N-OG 2.91Å; G242-S245 VanDerWaalsContact N-OG 3.12Å; G242-S245 WeakPolarHBondContact O-CB 3.46Å; G242-S245 PolarHBondContact O-N 3.23Å; G242-S245 VanDerWaalsContact O-N 3.1Å; G242-S245 PolarHBondContact O-OG 2.78Å
243	C	95.6	Very high	95.4	Very high	30 Å²	30	22 Å²	22	20%	0.203	11%	0.11	C	C	.	.	H	α-helix	trans	-59.6	-38.1	177.6	-59.1	0	0	0	0	110.5	L186 S245 D246 I247	L186-C243 HydrophobicContact CD2-CB 4.29Å; C243-S245 PolarHBondContact O-N 2.88Å; C243-D246 WeakPolarHBondContact O-CB 3.15Å; C243-D246 PolarHBondContact O-N 3.05Å; C243-I247 WeakPolarHBondContact O-CG1 3.23Å; C243-I247 PolarHBondContact O-N 3.38Å; C243-I247 VanDerWaalsContact O-N 3.15Å
244	E	96.4	Very high	95.5	Very high	42 Å²	42	21.8 Å²	21.8	20%	0.196	11%	0.108	C	C	.	.	H	α-helix	trans	-58.7	-28.9	178	-35	79.1	-149.4	0	0	112.5	R220 G242 I247 W248 P303 R306	R220-E244 IonicContact CZ-OE1 2.65Å; R220-E244 IonicContact CZ-OE2 2.82Å; R220-E244 IonicContact NH1-OE1 2.71Å; R220-E244 IonicContact NH1-OE2 2.89Å; R220-E244 PolarHBondContact NH1-OE2 3.18Å; R220-E244 IonicContact NH2-OE1 3.76Å; R220-E244 PolarHBondContact NH2-OE1 3.05Å; R220-E244 IonicContact NH2-OE2 3.22Å; R220-E244 PolarHBondContact NH2-OE2 2.81Å; G242-E244 VanDerWaalsContact CA-OE2 3.26Å; G242-E244 WeakPolarHBondContact CA-OE2 3.42Å; G242-E244 PolarHBondContact O-N 2.89Å; E244-I247 WeakPolarHBondContact O-CB 3.28Å; E244-I247 PolarHBondContact O-N 2.83Å; E244-W248 PolarHBondContact O-N 3.32Å; E244-W248 VanDerWaalsContact O-N 3.09Å; E244-P303 HydrophobicContact CB-CB 3.77Å; E244-P303 HydrophobicContact CG-CB 4.04Å; E244-R306 WeakPolarHBondContact O-CD 3.38Å; E244-R306 PolarHBondContact O-NH1 2.93Å
245	S	96.5	Very high	95.6	Very high	7 Å²	7	21.6 Å²	21.6	5%	0.049	11%	0.107	C	C	.	.	H	α-helix	trans	-74.4	-33.6	176.8	-48	0	0	0	0	112.4	E234 G242 C243 A249	E234-S245 VanDerWaalsContact OE1-CA 3.29Å; E234-S245 WeakPolarHBondContact OE1-CA 3.33Å; E234-S245 VanDerWaalsContact OE1-CB 3.3Å; E234-S245 WeakPolarHBondContact OE1-CB 3.18Å; E234-S245 PolarHBondContact OE1-OG 3.45Å; G242-S245 PolarHBondContact N-OG 2.91Å; G242-S245 VanDerWaalsContact N-OG 3.12Å; G242-S245 WeakPolarHBondContact O-CB 3.46Å; G242-S245 PolarHBondContact O-N 3.23Å; G242-S245 VanDerWaalsContact O-N 3.1Å; G242-S245 PolarHBondContact O-OG 2.78Å; C243-S245 PolarHBondContact O-N 2.88Å; S245-A249 PolarHBondContact O-N 2.96Å
246	D	97.8	Very high	95.8	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-71.1	-33	171	-79.3	-23.4	0	0	0	110.6	L177 H181 H187 R188 L190 C243 A249 L250	L177-D246 HydrophobicContact CD1-CB 4.08Å; L177-D246 HydrophobicContact CD2-CB 4.11Å; H181-D246 IonicContact CE1-OD2 2.88Å; H181-D246 IonicContact NE2-OD2 3.71Å; H181-D246 PolarHBondContact NE2-OD2 2.6Å; H187-D246 PolarHBondContact N-OD2 3.29Å; R188-D246 PolarHBondContact N-OD1 3.48Å; L190-D246 HydrophobicContact CD1-CB 3.59Å; C243-D246 WeakPolarHBondContact O-CB 3.15Å; C243-D246 PolarHBondContact O-N 3.05Å; D246-A249 PolarHBondContact O-N 2.93Å; D246-L250 PolarHBondContact O-N 3.38Å
247	I	98.6	Very high	96	Very high	7 Å²	7	21.5 Å²	21.5	4%	0.036	11%	0.107	C	C	.	.	H	α-helix	trans	-63	-43	172.3	-53.4	-52.6	0	0	0	111.8	C243 E244 A249 L250 G251 L298 R306 L309 I312	C243-I247 WeakPolarHBondContact O-CG1 3.23Å; C243-I247 PolarHBondContact O-N 3.38Å; C243-I247 VanDerWaalsContact O-N 3.15Å; E244-I247 WeakPolarHBondContact O-CB 3.28Å; E244-I247 PolarHBondContact O-N 2.83Å; I247-A249 PolarHBondContact O-N 3.16Å; I247-L250 VanDerWaalsContact O-CB 3.31Å; I247-L250 WeakPolarHBondContact O-CB 3.4Å; I247-L250 PolarHBondContact O-N 2.94Å; I247-L250 VanDerWaalsContact O-N 3.17Å; I247-G251 PolarHBondContact O-N 3.23Å; I247-L298 HydrophobicContact CG2-CD2 3.49Å; I247-L298 VanDerWaalsContact CG2-CD2 3.49Å; I247-R306 HydrophobicContact CG2-CB 4.07Å; I247-L309 HydrophobicContact CD1-CD2 3.37Å; I247-L309 HydrophobicContact CD1-CG 3.81Å; I247-I312 HydrophobicContact CD1-CD1 4.14Å; I247-I312 HydrophobicContact CG2-CD1 3.99Å
248	W	98.6	Very high	96.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.4	-45.7	173.9	173.8	-83.9	0	0	0	111.9	L231 S232 P233 E244 L250 G251 C252 F264 I276 A279 L299	L231-W248 PolarHBondContact O-NE1 3.21Å; S232-W248 VanDerWaalsContact CA-CD1 3.5Å; P233-W248 HydrophobicContact CG-CE3 4.17Å; P233-W248 HydrophobicContact CG-CH2 3.62Å; P233-W248 HydrophobicContact CG-CZ2 4.1Å; P233-W248 HydrophobicContact CG-CZ3 3.66Å; E244-W248 PolarHBondContact O-N 3.32Å; E244-W248 VanDerWaalsContact O-N 3.09Å; W248-L250 VanDerWaalsContact C-N 3.26Å; W248-L250 PolarHBondContact O-N 3.36Å; W248-G251 WeakPolarHBondContact O-CA 3.32Å; W248-G251 PolarHBondContact O-N 3.48Å; W248-C252 PolarHBondContact O-N 3.43Å; W248-F264 AromaticContact CE2-CE2 3.85Å; W248-F264 HydrophobicContact CH2-CE1 4.45Å; W248-F264 AromaticContact CH2-CE2 3.95Å; W248-F264 HydrophobicContact CH2-CE2 3.95Å; W248-F264 AromaticContact CH2-CZ 3.57Å; W248-F264 HydrophobicContact CH2-CZ 3.57Å; W248-F264 HydrophobicContact CZ2-CD2 4.14Å; W248-F264 HydrophobicContact CZ2-CE1 4.31Å; W248-F264 AromaticContact CZ2-CE2 3.23Å; W248-F264 HydrophobicContact CZ2-CE2 3.23Å; W248-F264 AromaticContact CZ2-CZ 3.33Å; W248-F264 HydrophobicContact CZ2-CZ 3.33Å; W248-I276 HydrophobicContact CZ2-CG2 3.9Å; W248-A279 HydrophobicContact CH2-CB 4.05Å; W248-A279 HydrophobicContact CZ3-CB 4.34Å; W248-L299 HydrophobicContact CD2-CD2 3.71Å; W248-L299 HydrophobicContact CE3-CB 4.35Å; W248-L299 HydrophobicContact CE3-CD2 3.92Å; W248-L299 HydrophobicContact CG-CD2 4.15Å; W248-L299 HydrophobicContact CZ2-CD2 4.32Å; W248-L299 HydrophobicContact CZ3-CB 4.17Å; W248-L299 HydrophobicContact CZ3-CD2 4.32Å; W248-L299 VanDerWaalsContact CZ3-O 3.28Å; W248-L299 WeakPolarHBondContact CZ3-O 3.21Å; W248-L299 WeakPolarHBondContact O-CD2 3.45Å
249	A	98.4	Very high	96.5	Very high	5 Å²	5	12.4 Å²	12.4	4%	0.041	7%	0.065	C	C	.	.	H	α-helix	trans	-62.7	-34.2	176.7	0	0	0	0	0	112	L190 S245 D246 I247 C252 V253	L190-A249 HydrophobicContact CB-CB 3.87Å; S245-A249 PolarHBondContact O-N 2.96Å; D246-A249 PolarHBondContact O-N 2.93Å; I247-A249 PolarHBondContact O-N 3.16Å; A249-C252 PolarHBondContact O-N 3.11Å; A249-V253 WeakPolarHBondContact O-CB 3.45Å; A249-V253 WeakPolarHBondContact O-CG2 3.49Å; A249-V253 PolarHBondContact O-N 3.4Å
250	L	98.6	Very high	96.7	Very high	1 Å²	1	8 Å²	8	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-63.4	-37.8	170.5	-174	66.7	0	0	0	112.4	L170 I173 V174 D246 I247 W248 V253 M254 L298 I312	L170-L250 HydrophobicContact CD2-CD1 3.57Å; L170-L250 HydrophobicContact CD2-CG 4.27Å; I173-L250 HydrophobicContact CB-CD1 4.21Å; I173-L250 HydrophobicContact CG2-CD1 3.53Å; V174-L250 HydrophobicContact CG2-CD2 3.64Å; D246-L250 PolarHBondContact O-N 3.38Å; I247-L250 VanDerWaalsContact O-CB 3.31Å; I247-L250 WeakPolarHBondContact O-CB 3.4Å; I247-L250 PolarHBondContact O-N 2.94Å; I247-L250 VanDerWaalsContact O-N 3.17Å; W248-L250 VanDerWaalsContact C-N 3.26Å; W248-L250 PolarHBondContact O-N 3.36Å; L250-V253 WeakPolarHBondContact O-CB 3.27Å; L250-V253 PolarHBondContact O-N 3.05Å; L250-M254 PolarHBondContact O-N 3.37Å; L250-L298 HydrophobicContact CD2-CD2 4.48Å; L250-I312 HydrophobicContact CD2-CD1 4.28Å
251	G	98.7	Very high	96.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.1	-48.8	170.8	0	0	0	0	0	112.9	I247 W248 V253 M254 Y255	I247-G251 PolarHBondContact O-N 3.23Å; W248-G251 WeakPolarHBondContact O-CA 3.32Å; W248-G251 PolarHBondContact O-N 3.48Å; G251-V253 VanDerWaalsContact C-N 3.26Å; G251-V253 PolarHBondContact O-N 2.99Å; G251-M254 PolarHBondContact O-N 3.47Å; G251-Y255 PolarHBondContact O-N 2.9Å
252	C	98.6	Very high	97	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-58.7	-39.3	173.4	-73.5	0	0	0	0	111.9	N229 Y230 W248 A249 T256 P263	N229-C252 PolarHBondContact O-SG 3.44Å; N229-C252 VanDerWaalsContact O-SG 3.34Å; Y230-C252 HydrophobicContact CD1-CB 3.61Å; Y230-C252 HydrophobicContact CE1-CB 4.07Å; Y230-C252 HydrophobicContact CG-CB 4.38Å; W248-C252 PolarHBondContact O-N 3.43Å; A249-C252 PolarHBondContact O-N 3.11Å; C252-T256 WeakPolarHBondContact O-CB 2.96Å; C252-T256 PolarHBondContact O-N 3.46Å; C252-T256 PolarHBondContact O-OG1 3.45Å; C252-P263 HydrophobicContact CB-CG 4.17Å; C252-P263 VanDerWaalsContact SG-CG 3.58Å
253	V	98.6	Very high	97.2	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-65.4	-45.1	177.2	158.4	0	0	0	0	111.9	L170 I173 L192 F195 Y230 A249 L250 G251 T256 M257	L170-V253 HydrophobicContact CD2-CG1 4.41Å; I173-V253 HydrophobicContact CD1-CG1 4.1Å; L192-V253 HydrophobicContact CD2-CG1 3.98Å; L192-V253 HydrophobicContact CD2-CG2 4.49Å; F195-V253 HydrophobicContact CD2-CG1 4.39Å; F195-V253 HydrophobicContact CE2-CB 4.32Å; F195-V253 HydrophobicContact CE2-CG1 3.71Å; F195-V253 HydrophobicContact CE2-CG2 3.69Å; F195-V253 HydrophobicContact CZ-CG2 4.37Å; Y230-V253 HydrophobicContact CD1-CG2 4.06Å; Y230-V253 HydrophobicContact CE1-CG2 3.74Å; A249-V253 WeakPolarHBondContact O-CB 3.45Å; A249-V253 WeakPolarHBondContact O-CG2 3.49Å; A249-V253 PolarHBondContact O-N 3.4Å; L250-V253 WeakPolarHBondContact O-CB 3.27Å; L250-V253 PolarHBondContact O-N 3.05Å; G251-V253 VanDerWaalsContact C-N 3.26Å; G251-V253 PolarHBondContact O-N 2.99Å; V253-T256 PolarHBondContact O-N 3.49Å; V253-M257 HydrophobicContact CG1-CE 3.75Å; V253-M257 WeakPolarHBondContact O-CG 3.35Å; V253-M257 PolarHBondContact O-N 2.96Å
254	M	98.6	Very high	97.1	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-60.7	-50	175.2	176	169.9	176.6	0	0	111.5	V166 L170 L250 G251 T256 M257 L258 A291 L294 I295 L298 F317	V166-M254 HydrophobicContact CG1-CG 4.43Å; L170-M254 HydrophobicContact CD1-CB 3.97Å; L170-M254 HydrophobicContact CD1-CG 3.82Å; L170-M254 HydrophobicContact CD1-SD 3.84Å; L170-M254 HydrophobicContact CD2-CB 4.32Å; L250-M254 PolarHBondContact O-N 3.37Å; G251-M254 PolarHBondContact O-N 3.47Å; M254-T256 VanDerWaalsContact C-N 3.34Å; M254-T256 PolarHBondContact O-N 3.23Å; M254-M257 PolarHBondContact O-N 2.86Å; M254-L258 HydrophobicContact CE-CD1 3.79Å; M254-L258 HydrophobicContact CG-CD1 3.9Å; M254-L258 PolarHBondContact O-N 3.03Å; M254-A291 HydrophobicContact CE-CB 4.07Å; M254-L294 HydrophobicContact CE-CB 4.04Å; M254-L294 HydrophobicContact CE-CD2 3.98Å; M254-L294 HydrophobicContact CE-CG 4.24Å; M254-L294 HydrophobicContact SD-CB 4.17Å; M254-L294 HydrophobicContact SD-CD2 3.68Å; M254-L294 HydrophobicContact SD-CG 3.79Å; M254-I295 HydrophobicContact CE-CD1 4.39Å; M254-I295 HydrophobicContact CE-CG1 3.99Å; M254-I295 HydrophobicContact CG-CD1 4.34Å; M254-I295 HydrophobicContact CG-CG1 3.89Å; M254-I295 HydrophobicContact SD-CG1 3.91Å; M254-L298 HydrophobicContact SD-CD1 4.08Å; M254-F317 HydrophobicContact CE-CD1 3.91Å; M254-F317 HydrophobicContact CE-CD2 4.21Å; M254-F317 HydrophobicContact CE-CE1 3.56Å; M254-F317 HydrophobicContact CE-CE2 3.91Å; M254-F317 HydrophobicContact CE-CG 4.21Å; M254-F317 HydrophobicContact CE-CZ 3.58Å; M254-F317 HydrophobicContact SD-CE1 4.35Å
255	Y	98.6	Very high	96.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-54.9	-49.6	176	-174.7	-77	0	0	0	111.1	G251 M257 L258 L259 R261 P263 Y281 S282 L283 I295	G251-Y255 PolarHBondContact O-N 2.9Å; Y255-M257 VanDerWaalsContact C-N 3.35Å; Y255-M257 PolarHBondContact O-N 3.28Å; Y255-L258 PolarHBondContact O-N 3.4Å; Y255-L259 HydrophobicContact CD1-CB 4.39Å; Y255-L259 HydrophobicContact CD1-CD1 3.98Å; Y255-L259 HydrophobicContact CD2-CD1 3.92Å; Y255-L259 HydrophobicContact CE1-CB 4.2Å; Y255-L259 HydrophobicContact CE1-CD1 3.59Å; Y255-L259 HydrophobicContact CE2-CD1 3.52Å; Y255-L259 HydrophobicContact CG-CD1 4.14Å; Y255-L259 WeakPolarHBondContact O-CB 3.44Å; Y255-L259 PolarHBondContact O-N 2.86Å; Y255-R261 WeakPolarHBondContact CD1-O 3.25Å; Y255-R261 WeakPolarHBondContact CE1-O 3.28Å; Y255-R261 PolarHBondContact OH-NH1 2.99Å; Y255-P263 HydrophobicContact CD1-CB 3.83Å; Y255-P263 HydrophobicContact CD1-CG 4.14Å; Y255-P263 HydrophobicContact CD2-CB 3.84Å; Y255-P263 VanDerWaalsContact CE1-CA 3.44Å; Y255-P263 HydrophobicContact CE1-CB 3.92Å; Y255-P263 HydrophobicContact CE2-CB 3.93Å; Y255-P263 HydrophobicContact CG-CB 3.79Å; Y255-P263 HydrophobicContact CG-CG 4.07Å; Y255-Y281 HydrophobicContact CD2-CD2 4.32Å; Y255-Y281 AromaticContact CE2-CD2 3.91Å; Y255-Y281 HydrophobicContact CE2-CD2 3.91Å; Y255-Y281 HydrophobicContact CE2-CE2 4.49Å; Y255-S282 VanDerWaalsContact CE2-O 3.24Å; Y255-S282 WeakPolarHBondContact CE2-O 3.34Å; Y255-S282 PolarHBondContact OH-O 2.71Å; Y255-L283 HydrophobicContact CD2-CD2 4.37Å; Y255-L283 HydrophobicContact CE2-CD2 4.26Å; Y255-I295 HydrophobicContact CD2-CD1 4.38Å; Y255-I295 HydrophobicContact CD2-CG2 4.09Å
256	T	98.1	Very high	95.8	Very high	6 Å²	6	14.2 Å²	14.2	4%	0.037	8%	0.078	C	C	.	.	H	α-helix	trans	-65.8	-34.5	-176.5	-49.8	0	0	0	0	112.3	L155 L192 C252 V253 M254 G260 R261	L155-T256 HydrophobicContact CD2-CG2 3.92Å; L155-T256 VanDerWaalsContact CD2-O 3.32Å; L155-T256 WeakPolarHBondContact CD2-O 3.43Å; L192-T256 HydrophobicContact CD1-CG2 3.57Å; C252-T256 WeakPolarHBondContact O-CB 2.96Å; C252-T256 PolarHBondContact O-N 3.46Å; C252-T256 PolarHBondContact O-OG1 3.45Å; V253-T256 PolarHBondContact O-N 3.49Å; M254-T256 VanDerWaalsContact C-N 3.34Å; M254-T256 PolarHBondContact O-N 3.23Å; T256-G260 VanDerWaalsContact O-CA 3.23Å; T256-G260 WeakPolarHBondContact O-CA 3.42Å; T256-G260 PolarHBondContact O-N 3.26Å; T256-R261 WeakPolarHBondContact CA-O 3.24Å
257	M	98.4	Very high	94.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69.6	-35.4	175.6	-71.6	-173.6	-70.4	0	0	113.3	L151 L161 V166 L170 L192 V253 M254 Y255	L151-M257 HydrophobicContact CD1-SD 3.86Å; L161-M257 HydrophobicContact CD1-CB 4.22Å; L161-M257 HydrophobicContact CD1-CG 4.13Å; L161-M257 HydrophobicContact CD1-SD 4.08Å; L161-M257 PolarHBondContact N-O 3.49Å; V166-M257 HydrophobicContact CG1-CE 4.21Å; V166-M257 HydrophobicContact CG2-CB 3.82Å; L170-M257 HydrophobicContact CD1-CE 4.47Å; L170-M257 HydrophobicContact CD2-CE 3.71Å; L170-M257 HydrophobicContact CG-CE 3.81Å; L192-M257 HydrophobicContact CD2-CG 3.69Å; L192-M257 HydrophobicContact CD2-SD 4.19Å; V253-M257 HydrophobicContact CG1-CE 3.75Å; V253-M257 WeakPolarHBondContact O-CG 3.35Å; V253-M257 PolarHBondContact O-N 2.96Å; M254-M257 PolarHBondContact O-N 2.86Å; Y255-M257 VanDerWaalsContact C-N 3.35Å; Y255-M257 PolarHBondContact O-N 3.28Å
258	L	98.1	Very high	94	Very high	17 Å²	17	21.6 Å²	21.6	9%	0.089	12%	0.121	C	C	.	.	H	α-helix	trans	-80.5	-32.7	-178.9	-69.9	164.5	0	0	0	113	V160 E163 V166 M254 Y255 L287 A291 I295	V160-L258 WeakPolarHBondContact CG1-O 3.44Å; E163-L258 HydrophobicContact CG-CD2 3.96Å; V166-L258 HydrophobicContact CB-CD2 4.19Å; V166-L258 HydrophobicContact CG1-CD1 4.42Å; V166-L258 HydrophobicContact CG1-CD2 4.26Å; V166-L258 HydrophobicContact CG1-CG 4.17Å; V166-L258 HydrophobicContact CG2-CD2 3.73Å; V166-L258 HydrophobicContact CG2-CG 4.02Å; M254-L258 HydrophobicContact CE-CD1 3.79Å; M254-L258 HydrophobicContact CG-CD1 3.9Å; M254-L258 PolarHBondContact O-N 3.03Å; Y255-L258 PolarHBondContact O-N 3.4Å; L258-L287 HydrophobicContact CB-CD2 3.82Å; L258-L287 HydrophobicContact CD1-CD2 4.21Å; L258-L287 HydrophobicContact CG-CD2 4.45Å; L258-A291 HydrophobicContact CD1-CB 4.16Å; L258-I295 HydrophobicContact CD1-CD1 4.11Å
259	L	96.3	Very high	93.3	Very high	10 Å²	10	26.3 Å²	26.3	5%	0.052	15%	0.145	C	C	.	.	H	α-helix	trans	-117.1	-1.5	-171.9	-63	174.7	0	0	0	114.5	Y255 R261 P284 L287	Y255-L259 HydrophobicContact CD1-CB 4.39Å; Y255-L259 HydrophobicContact CD1-CD1 3.98Å; Y255-L259 HydrophobicContact CD2-CD1 3.92Å; Y255-L259 HydrophobicContact CE1-CB 4.2Å; Y255-L259 HydrophobicContact CE1-CD1 3.59Å; Y255-L259 HydrophobicContact CE2-CD1 3.52Å; Y255-L259 HydrophobicContact CG-CD1 4.14Å; Y255-L259 WeakPolarHBondContact O-CB 3.44Å; Y255-L259 PolarHBondContact O-N 2.86Å; L259-R261 PolarHBondContact O-N 3.34Å; L259-P284 HydrophobicContact CD1-CG 4.02Å; L259-P284 HydrophobicContact CD2-CB 4.47Å; L259-P284 HydrophobicContact CD2-CG 3.93Å; L259-L287 HydrophobicContact CD1-CD1 4.06Å; L259-L287 HydrophobicContact CD2-CD1 4.49Å; L259-L287 HydrophobicContact CD2-CD2 3.9Å; L259-L287 HydrophobicContact CD2-CG 4.12Å; L259-L287 HydrophobicContact CG-CD1 4.44Å; L259-L287 HydrophobicContact CG-CD2 4.2Å
260	G	94	Very high	92.7	Very high	25 Å²	25	34.7 Å²	34.7	26%	0.258	18%	0.181	S	C	.	.	S	Bend	trans	76.1	-20.4	176	0	0	0	0	0	115.9	K159 T256	K159-G260 WeakPolarHBondContact O-CA 3.48Å; T256-G260 VanDerWaalsContact O-CA 3.23Å; T256-G260 WeakPolarHBondContact O-CA 3.42Å; T256-G260 PolarHBondContact O-N 3.26Å
261	R	92.1	Very high	92.3	Very high	55 Å²	55	36.5 Å²	36.5	21%	0.208	19%	0.19	C	C	.	.	S	Bend	trans	-123.7	157.1	179.3	64.3	176.8	179.1	74.5	0.1	112.2	Y255 T256 L259	Y255-R261 WeakPolarHBondContact CD1-O 3.25Å; Y255-R261 WeakPolarHBondContact CE1-O 3.28Å; Y255-R261 PolarHBondContact OH-NH1 2.99Å; T256-R261 WeakPolarHBondContact CA-O 3.24Å; L259-R261 PolarHBondContact O-N 3.34Å
262	P	94.3	Very high	91.8	Very high	10 Å²	10	36.7 Å²	36.7	7%	0.065	19%	0.191	C	C	.	.			trans	-71.8	157.7	178.4	-14.1	30.6	0	0	0	113.2	N229 F264 E265	N229-P262 HydrophobicContact CB-CB 3.91Å; N229-P262 HydrophobicContact CB-CG 4.21Å; P262-F264 PolarHBondContact O-N 3.49Å; P262-E265 HydrophobicContact CB-CB 4.11Å; P262-E265 WeakPolarHBondContact CD-OE2 3.13Å; P262-E265 HydrophobicContact CG-CB 4.02Å
263	P	95.8	Very high	91.5	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.058	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-27.3	180	23.4	-30	0	0	0	114.4	C252 Y255 Y281 L299	C252-P263 HydrophobicContact CB-CG 4.17Å; C252-P263 VanDerWaalsContact SG-CG 3.58Å; Y255-P263 HydrophobicContact CD1-CB 3.83Å; Y255-P263 HydrophobicContact CD1-CG 4.14Å; Y255-P263 HydrophobicContact CD2-CB 3.84Å; Y255-P263 VanDerWaalsContact CE1-CA 3.44Å; Y255-P263 HydrophobicContact CE1-CB 3.92Å; Y255-P263 HydrophobicContact CE2-CB 3.93Å; Y255-P263 HydrophobicContact CG-CB 3.79Å; Y255-P263 HydrophobicContact CG-CG 4.07Å; P263-Y281 HydrophobicContact CB-CD2 4.26Å; P263-Y281 HydrophobicContact CB-CG 4.1Å; P263-Y281 VanDerWaalsContact O-CB 3.29Å; P263-Y281 WeakPolarHBondContact O-CB 3.22Å; P263-L299 HydrophobicContact CB-CD1 4.2Å; P263-L299 HydrophobicContact CG-CD1 4.06Å
264	F	94.6	Very high	91.3	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	17.7	-174.6	-51.3	-71.6	0	0	0	113.7	W248 P262 T266 T272 C275 I276 Y281 L299	W248-F264 AromaticContact CE2-CE2 3.85Å; W248-F264 HydrophobicContact CH2-CE1 4.45Å; W248-F264 AromaticContact CH2-CE2 3.95Å; W248-F264 HydrophobicContact CH2-CE2 3.95Å; W248-F264 AromaticContact CH2-CZ 3.57Å; W248-F264 HydrophobicContact CH2-CZ 3.57Å; W248-F264 HydrophobicContact CZ2-CD2 4.14Å; W248-F264 HydrophobicContact CZ2-CE1 4.31Å; W248-F264 AromaticContact CZ2-CE2 3.23Å; W248-F264 HydrophobicContact CZ2-CE2 3.23Å; W248-F264 AromaticContact CZ2-CZ 3.33Å; W248-F264 HydrophobicContact CZ2-CZ 3.33Å; P262-F264 PolarHBondContact O-N 3.49Å; F264-T266 PolarHBondContact O-N 3.12Å; F264-T272 HydrophobicContact CB-CG2 4.41Å; F264-T272 WeakPolarHBondContact O-CB 3.44Å; F264-T272 VanDerWaalsContact O-CG2 3.29Å; F264-T272 WeakPolarHBondContact O-CG2 3.35Å; F264-T272 PolarHBondContact O-OG1 2.81Å; F264-C275 HydrophobicContact CD1-CB 3.98Å; F264-I276 HydrophobicContact CB-CD1 4.27Å; F264-I276 HydrophobicContact CB-CG1 3.68Å; F264-I276 HydrophobicContact CD1-CG1 4.07Å; F264-I276 HydrophobicContact CD2-CG1 3.72Å; F264-I276 HydrophobicContact CE2-CG1 4.41Å; F264-I276 HydrophobicContact CG-CG1 3.54Å; F264-Y281 AromaticContact CE1-CD1 3.63Å; F264-Y281 HydrophobicContact CE1-CD1 3.63Å; F264-Y281 HydrophobicContact CE1-CG 4.15Å; F264-Y281 AromaticContact CZ-CD1 3.65Å; F264-Y281 HydrophobicContact CZ-CD1 3.65Å; F264-Y281 HydrophobicContact CZ-CE1 4.31Å; F264-Y281 HydrophobicContact CZ-CG 4.3Å; F264-L299 HydrophobicContact CE2-CD1 4.33Å; F264-L299 HydrophobicContact CE2-CD2 4.28Å; F264-L299 HydrophobicContact CZ-CD1 4.35Å
265	E	83.4	Confident	91.2	Very high	103 Å²	103	46 Å²	46	48%	0.481	23%	0.227	S	C	.	.			trans	-69.6	128.4	176.9	-174.7	146.5	-99.3	0	0	110.5	N229 P262	N229-E265 PolarHBondContact ND2-OE1 3.26Å; P262-E265 HydrophobicContact CB-CB 4.11Å; P262-E265 WeakPolarHBondContact CD-OE2 3.13Å; P262-E265 HydrophobicContact CG-CB 4.02Å
266	T	81.4	Confident	91.1	Very high	45 Å²	45	46 Å²	46	28%	0.276	23%	0.227	S	C	.	.			trans	-145.1	168.5	180	72.4	0	0	0	0	110	F264 N268 E271 T272	F264-T266 PolarHBondContact O-N 3.12Å; T266-N268 PolarHBondContact O-N 3.01Å; T266-N268 VanDerWaalsContact O-N 3.13Å; T266-N268 PolarHBondContact OG1-O 2.83Å; T266-E271 HydrophobicContact CG2-CG 4.12Å; T266-T272 PolarHBondContact N-OG1 3.36Å; T266-T272 PolarHBondContact OG1-N 2.99Å; T266-T272 VanDerWaalsContact OG1-N 3.14Å; T266-T272 PolarHBondContact OG1-OG1 3.03Å
267	T	77.1	Confident	90.9	Very high	92 Å²	92	50 Å²	50	56%	0.564	24%	0.242	S	C	*	.	S	Bend	trans	-63.7	-15.7	-179.9	57.9	0	0	0	0	114.4	I391	T267-I391 HydrophobicContact CG2-CD1 4.3Å; T267-I391 HydrophobicContact CG2-CG1 4.09Å
268	N	82.1	Confident	90.8	Very high	74 Å²	74	54 Å²	54	40%	0.396	26%	0.26	S	S	.	.	S	Bend	trans	-148	142.3	-180	78.5	90.6	0	0	0	114.3	T266 K270 E271 T272	T266-N268 PolarHBondContact O-N 3.01Å; T266-N268 VanDerWaalsContact O-N 3.13Å; T266-N268 PolarHBondContact OG1-O 2.83Å; N268-K270 VanDerWaalsContact C-N 3.27Å; N268-K270 PolarHBondContact O-N 3.17Å; N268-K270 VanDerWaalsContact O-N 3.16Å; N268-K270 WeakPolarHBondContact OD1-CB 3.5Å; N268-K270 PolarHBondContact OD1-N 3.48Å; N268-E271 WeakPolarHBondContact ND2-CB 3.43Å; N268-E271 PolarHBondContact O-N 3.25Å; N268-E271 PolarHBondContact OD1-N 2.9Å; N268-T272 PolarHBondContact O-N 3.35Å; N268-T272 VanDerWaalsContact O-N 3.1Å
269	L	83.1	Confident	90.7	Very high	98 Å²	98	54.2 Å²	54.2	51%	0.513	27%	0.265	S	S	.	.	H	α-helix	trans	-58.5	-29.4	-176.6	-99	154.3	0	0	0	115	P228 Y273	P228-L269 HydrophobicContact CB-CD2 3.71Å; P228-L269 HydrophobicContact CG-CD2 3.89Å; L269-Y273 HydrophobicContact CD2-CE1 3.79Å; L269-Y273 HydrophobicContact CD2-CE2 4.24Å; L269-Y273 WeakPolarHBondContact O-CB 3.3Å; L269-Y273 WeakPolarHBondContact O-CD2 3.22Å; L269-Y273 PolarHBondContact O-N 3.28Å; L269-Y273 VanDerWaalsContact O-N 3.08Å
270	K	86	Confident	90.7	Very high	181 Å²	181	58.8 Å²	58.8	79%	0.787	28%	0.281	S	S	*	.	H	α-helix	trans	-69.5	-40.3	176.3	-69.2	-172.6	178.2	-176.3	0	111.1	N268 Y273 R274	N268-K270 VanDerWaalsContact C-N 3.27Å; N268-K270 PolarHBondContact O-N 3.17Å; N268-K270 VanDerWaalsContact O-N 3.16Å; N268-K270 WeakPolarHBondContact OD1-CB 3.5Å; N268-K270 PolarHBondContact OD1-N 3.48Å; K270-Y273 CarbonylContact O-C 3.49Å; K270-Y273 PolarHBondContact O-N 2.95Å; K270-R274 PolarHBondContact O-N 3.07Å
271	E	89.9	Confident	90.8	Very high	40 Å²	40	60.2 Å²	60.2	19%	0.187	28%	0.279	C	S	.	.	H	α-helix	trans	-70.6	-43.5	177.8	-171.6	60.1	-156.7	0	0	111.9	T266 N268 Y273 R274 C275 R280	T266-E271 HydrophobicContact CG2-CG 4.12Å; N268-E271 WeakPolarHBondContact ND2-CB 3.43Å; N268-E271 PolarHBondContact O-N 3.25Å; N268-E271 PolarHBondContact OD1-N 2.9Å; E271-Y273 VanDerWaalsContact C-N 3.26Å; E271-Y273 PolarHBondContact O-N 2.64Å; E271-R274 VanDerWaalsContact CD-NE 3.34Å; E271-R274 CarbonylContact O-C 3.59Å; E271-R274 WeakPolarHBondContact O-CA 3.45Å; E271-R274 WeakPolarHBondContact O-CB 3.42Å; E271-R274 PolarHBondContact O-N 2.96Å; E271-R274 IonicContact OE1-CZ 2.71Å; E271-R274 VanDerWaalsContact OE1-CZ 3.31Å; E271-R274 IonicContact OE1-NE 2.94Å; E271-R274 PolarHBondContact OE1-NE 3.46Å; E271-R274 IonicContact OE1-NH2 2.71Å; E271-R274 PolarHBondContact OE1-NH2 3.21Å; E271-R274 IonicContact OE2-CZ 3.33Å; E271-R274 IonicContact OE2-NE 2.78Å; E271-R274 PolarHBondContact OE2-NE 2.88Å; E271-R274 IonicContact OE2-NH2 3.49Å; E271-R274 PolarHBondContact OE2-NH2 3.34Å; E271-C275 PolarHBondContact O-N 3.07Å; E271-C275 PolarHBondContact O-SG 3.34Å; E271-C275 VanDerWaalsContact O-SG 3.42Å; E271-R280 IonicContact OE1-CZ 3.94Å; E271-R280 IonicContact OE1-NH2 3.02Å; E271-R280 PolarHBondContact OE1-NH2 2.82Å
272	T	89.5	Confident	90.9	Very high	4 Å²	4	60.9 Å²	60.9	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-54.5	-43.6	170.4	-74.4	0	0	0	0	111.3	F264 T266 N268 R274 C275 I276	F264-T272 HydrophobicContact CB-CG2 4.41Å; F264-T272 WeakPolarHBondContact O-CB 3.44Å; F264-T272 VanDerWaalsContact O-CG2 3.29Å; F264-T272 WeakPolarHBondContact O-CG2 3.35Å; F264-T272 PolarHBondContact O-OG1 2.81Å; T266-T272 PolarHBondContact N-OG1 3.36Å; T266-T272 PolarHBondContact OG1-N 2.99Å; T266-T272 VanDerWaalsContact OG1-N 3.14Å; T266-T272 PolarHBondContact OG1-OG1 3.03Å; N268-T272 PolarHBondContact O-N 3.35Å; N268-T272 VanDerWaalsContact O-N 3.1Å; T272-R274 VanDerWaalsContact C-N 3.27Å; T272-R274 PolarHBondContact O-N 3.49Å; T272-C275 PolarHBondContact O-N 2.91Å; T272-I276 HydrophobicContact CG2-CD1 3.74Å; T272-I276 WeakPolarHBondContact O-CB 3.36Å; T272-I276 WeakPolarHBondContact O-CD1 3.28Å; T272-I276 VanDerWaalsContact O-CG1 3.25Å; T272-I276 WeakPolarHBondContact O-CG1 3.41Å; T272-I276 PolarHBondContact O-N 2.97Å
273	Y	92.5	Very high	90.8	Very high	65 Å²	65	63.2 Å²	63.2	26%	0.255	30%	0.304	S	S	.	.	H	α-helix	trans	-70.4	-15.6	174.3	-67.8	-11.7	0	0	0	114.8	P228 L231 L236 L269 K270 E271 I276 R277	P228-Y273 HydrophobicContact CB-CE1 4.17Å; L231-Y273 HydrophobicContact CD1-CE1 4Å; L236-Y273 HydrophobicContact CD1-CD1 3.72Å; L236-Y273 HydrophobicContact CD1-CG 4.02Å; L236-Y273 HydrophobicContact CD2-CD1 3.85Å; L236-Y273 HydrophobicContact CD2-CE1 3.9Å; L236-Y273 HydrophobicContact CD2-CG 4.21Å; L236-Y273 HydrophobicContact CG-CD1 4.48Å; L269-Y273 HydrophobicContact CD2-CE1 3.79Å; L269-Y273 HydrophobicContact CD2-CE2 4.24Å; L269-Y273 WeakPolarHBondContact O-CB 3.3Å; L269-Y273 WeakPolarHBondContact O-CD2 3.22Å; L269-Y273 PolarHBondContact O-N 3.28Å; L269-Y273 VanDerWaalsContact O-N 3.08Å; K270-Y273 CarbonylContact O-C 3.49Å; K270-Y273 PolarHBondContact O-N 2.95Å; E271-Y273 VanDerWaalsContact C-N 3.26Å; E271-Y273 PolarHBondContact O-N 2.64Å; Y273-I276 HydrophobicContact CD1-CD1 4.46Å; Y273-R277 WeakPolarHBondContact O-CG 3.25Å; Y273-R277 PolarHBondContact O-NH1 3.01Å
274	R	94.5	Very high	90.4	Very high	121 Å²	121	64.1 Å²	64.1	46%	0.457	31%	0.31	S	S	.	.	H	α-helix	trans	-80.4	-54.7	168.9	179.4	165.3	69.5	151.9	-1.5	110	K270 E271 T272 I276 R277 E278	K270-R274 PolarHBondContact O-N 3.07Å; E271-R274 VanDerWaalsContact CD-NE 3.34Å; E271-R274 CarbonylContact O-C 3.59Å; E271-R274 WeakPolarHBondContact O-CA 3.45Å; E271-R274 WeakPolarHBondContact O-CB 3.42Å; E271-R274 PolarHBondContact O-N 2.96Å; E271-R274 IonicContact OE1-CZ 2.71Å; E271-R274 VanDerWaalsContact OE1-CZ 3.31Å; E271-R274 IonicContact OE1-NE 2.94Å; E271-R274 PolarHBondContact OE1-NE 3.46Å; E271-R274 IonicContact OE1-NH2 2.71Å; E271-R274 PolarHBondContact OE1-NH2 3.21Å; E271-R274 IonicContact OE2-CZ 3.33Å; E271-R274 IonicContact OE2-NE 2.78Å; E271-R274 PolarHBondContact OE2-NE 2.88Å; E271-R274 IonicContact OE2-NH2 3.49Å; E271-R274 PolarHBondContact OE2-NH2 3.34Å; T272-R274 VanDerWaalsContact C-N 3.27Å; T272-R274 PolarHBondContact O-N 3.49Å; R274-I276 VanDerWaalsContact C-N 3.3Å; R274-I276 PolarHBondContact O-N 3.29Å; R274-R277 PolarHBondContact O-N 3.08Å; R274-R277 VanDerWaalsContact O-N 3.08Å; R274-E278 WeakPolarHBondContact CD-OE1 3.39Å; R274-E278 HydrophobicContact CG-CG 4.47Å; R274-E278 WeakPolarHBondContact CG-OE1 3.47Å; R274-E278 PolarHBondContact O-N 2.82Å
275	C	94.6	Very high	90.2	Very high	8 Å²	8	69.6 Å²	69.6	5%	0.054	35%	0.348	C	S	.	.	H	α-helix	trans	-54.2	-42.7	177.7	-63.7	0	0	0	0	112.5	F264 E271 T272 E278 A279 R280	F264-C275 HydrophobicContact CD1-CB 3.98Å; E271-C275 PolarHBondContact O-N 3.07Å; E271-C275 PolarHBondContact O-SG 3.34Å; E271-C275 VanDerWaalsContact O-SG 3.42Å; T272-C275 PolarHBondContact O-N 2.91Å; C275-E278 PolarHBondContact O-N 2.98Å; C275-A279 CarbonylContact O-C 3.5Å; C275-A279 WeakPolarHBondContact O-CA 3.48Å; C275-A279 PolarHBondContact O-N 3.13Å; C275-R280 PolarHBondContact O-N 3.36Å; C275-R280 PolarHBondContact SG-NH2 3.22Å
276	I	96.7	Very high	90.3	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-60.1	-51.6	174.9	-70.6	164.2	0	0	0	111.1	P228 L231 P233 L236 W248 F264 T272 Y273 R274 E278 A279	P228-I276 WeakPolarHBondContact O-CD1 3.34Å; L231-I276 VanDerWaalsContact O-CG2 3.25Å; L231-I276 WeakPolarHBondContact O-CG2 3.42Å; P233-I276 HydrophobicContact CG-CG2 4.43Å; L236-I276 HydrophobicContact CD1-CB 3.75Å; L236-I276 HydrophobicContact CD1-CD1 4.1Å; L236-I276 HydrophobicContact CD1-CG2 3.48Å; L236-I276 VanDerWaalsContact CD1-CG2 3.48Å; L236-I276 HydrophobicContact CG-CG2 4.29Å; W248-I276 HydrophobicContact CZ2-CG2 3.9Å; F264-I276 HydrophobicContact CB-CD1 4.27Å; F264-I276 HydrophobicContact CB-CG1 3.68Å; F264-I276 HydrophobicContact CD1-CG1 4.07Å; F264-I276 HydrophobicContact CD2-CG1 3.72Å; F264-I276 HydrophobicContact CE2-CG1 4.41Å; F264-I276 HydrophobicContact CG-CG1 3.54Å; T272-I276 HydrophobicContact CG2-CD1 3.74Å; T272-I276 WeakPolarHBondContact O-CB 3.36Å; T272-I276 WeakPolarHBondContact O-CD1 3.28Å; T272-I276 VanDerWaalsContact O-CG1 3.25Å; T272-I276 WeakPolarHBondContact O-CG1 3.41Å; T272-I276 PolarHBondContact O-N 2.97Å; Y273-I276 HydrophobicContact CD1-CD1 4.46Å; R274-I276 VanDerWaalsContact C-N 3.3Å; R274-I276 PolarHBondContact O-N 3.29Å; I276-E278 PolarHBondContact O-N 2.97Å; I276-A279 PolarHBondContact O-N 2.82Å
277	R	95.5	Very high	90.8	Very high	90 Å²	90	67.8 Å²	67.8	34%	0.34	35%	0.348	S	S	.	.	H	α-helix	trans	-64.2	-29.2	-178.9	-74.9	-174.6	-175.7	96.7	-4.9	113.6	L236 N237 Y273 R274 A279 K301	L236-R277 HydrophobicContact CB-CG 4.21Å; L236-R277 HydrophobicContact CD1-CG 4.4Å; L236-R277 PolarHBondContact O-NH2 2.9Å; N237-R277 WeakPolarHBondContact OD1-CD 3.18Å; N237-R277 PolarHBondContact OD1-NE 3.36Å; Y273-R277 WeakPolarHBondContact O-CG 3.25Å; Y273-R277 PolarHBondContact O-NH1 3.01Å; R274-R277 PolarHBondContact O-N 3.08Å; R274-R277 VanDerWaalsContact O-N 3.08Å; R277-A279 VanDerWaalsContact C-N 3.34Å; R277-K301 VanDerWaalsContact O-CE 3.22Å; R277-K301 WeakPolarHBondContact O-CE 3.17Å
278	E	95.6	Very high	91.7	Very high	85 Å²	85	64.7 Å²	64.7	40%	0.397	33%	0.33	S	S	.	.	H	α-helix	trans	-83.4	-11.1	174.6	-68.8	174.3	-158.6	0	0	112.8	R274 C275 I276 R280	R274-E278 WeakPolarHBondContact CD-OE1 3.39Å; R274-E278 HydrophobicContact CG-CG 4.47Å; R274-E278 WeakPolarHBondContact CG-OE1 3.47Å; R274-E278 PolarHBondContact O-N 2.82Å; C275-E278 PolarHBondContact O-N 2.98Å; I276-E278 PolarHBondContact O-N 2.97Å; E278-R280 HydrophobicContact CB-CB 3.89Å; E278-R280 PolarHBondContact O-N 2.99Å; E278-R280 IonicContact OE1-NH1 3.16Å; E278-R280 WeakPolarHBondContact OE2-CD 3.25Å; E278-R280 IonicContact OE2-CZ 2.72Å; E278-R280 IonicContact OE2-NE 3.24Å; E278-R280 IonicContact OE2-NH1 3.85Å; E278-R280 PolarHBondContact OE2-NH1 2.76Å
279	A	96.1	Very high	92.5	Very high	22 Å²	22	65.7 Å²	65.7	18%	0.182	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	35.6	-165	0	0	0	0	0	113.1	W248 C275 I276 R277 Y281 K301	W248-A279 HydrophobicContact CH2-CB 4.05Å; W248-A279 HydrophobicContact CZ3-CB 4.34Å; C275-A279 CarbonylContact O-C 3.5Å; C275-A279 WeakPolarHBondContact O-CA 3.48Å; C275-A279 PolarHBondContact O-N 3.13Å; I276-A279 PolarHBondContact O-N 2.82Å; R277-A279 VanDerWaalsContact C-N 3.34Å; A279-Y281 VanDerWaalsContact O-CD1 3.25Å; A279-Y281 WeakPolarHBondContact O-CD1 3.39Å; A279-Y281 WeakPolarHBondContact O-CE1 3.39Å; A279-K301 HydrophobicContact CB-CB 3.79Å; A279-K301 HydrophobicContact CB-CG 4.3Å
280	R	95.6	Very high	93.2	Very high	106 Å²	106	63.7 Å²	63.7	40%	0.4	33%	0.329	S	S	.	.			trans	-93.4	104.4	-172.9	-163.9	-177.3	77.9	-151	6.9	111.2	E271 C275 E278	E271-R280 IonicContact OE1-CZ 3.94Å; E271-R280 IonicContact OE1-NH2 3.02Å; E271-R280 PolarHBondContact OE1-NH2 2.82Å; C275-R280 PolarHBondContact O-N 3.36Å; C275-R280 PolarHBondContact SG-NH2 3.22Å; E278-R280 HydrophobicContact CB-CB 3.89Å; E278-R280 PolarHBondContact O-N 2.99Å; E278-R280 IonicContact OE1-NH1 3.16Å; E278-R280 WeakPolarHBondContact OE2-CD 3.25Å; E278-R280 IonicContact OE2-CZ 2.72Å; E278-R280 IonicContact OE2-NE 3.24Å; E278-R280 IonicContact OE2-NH1 3.85Å; E278-R280 PolarHBondContact OE2-NH1 2.76Å
281	Y	95.9	Very high	93.7	Very high	55 Å²	55	55.1 Å²	55.1	22%	0.216	29%	0.291	C	S	.	.			trans	-145.8	167.6	175.7	62.6	-81.7	0	0	0	110.2	Y255 P263 F264 A279 L283 I295 A296 L299	Y255-Y281 HydrophobicContact CD2-CD2 4.32Å; Y255-Y281 AromaticContact CE2-CD2 3.91Å; Y255-Y281 HydrophobicContact CE2-CD2 3.91Å; Y255-Y281 HydrophobicContact CE2-CE2 4.49Å; P263-Y281 HydrophobicContact CB-CD2 4.26Å; P263-Y281 HydrophobicContact CB-CG 4.1Å; P263-Y281 VanDerWaalsContact O-CB 3.29Å; P263-Y281 WeakPolarHBondContact O-CB 3.22Å; F264-Y281 AromaticContact CE1-CD1 3.63Å; F264-Y281 HydrophobicContact CE1-CD1 3.63Å; F264-Y281 HydrophobicContact CE1-CG 4.15Å; F264-Y281 AromaticContact CZ-CD1 3.65Å; F264-Y281 HydrophobicContact CZ-CD1 3.65Å; F264-Y281 HydrophobicContact CZ-CE1 4.31Å; F264-Y281 HydrophobicContact CZ-CG 4.3Å; A279-Y281 VanDerWaalsContact O-CD1 3.25Å; A279-Y281 WeakPolarHBondContact O-CD1 3.39Å; A279-Y281 WeakPolarHBondContact O-CE1 3.39Å; Y281-L283 HydrophobicContact CD2-CG 4.34Å; Y281-L283 HydrophobicContact CE2-CD1 4.18Å; Y281-L283 HydrophobicContact CE2-CD2 4.03Å; Y281-L283 HydrophobicContact CE2-CG 3.81Å; Y281-I295 HydrophobicContact CE2-CG2 3.9Å; Y281-A296 WeakPolarHBondContact OH-CA 3.23Å; Y281-L299 HydrophobicContact CD1-CD1 4.34Å; Y281-L299 HydrophobicContact CD2-CD1 4.47Å; Y281-L299 HydrophobicContact CE1-CB 3.84Å; Y281-L299 HydrophobicContact CE1-CD1 3.93Å; Y281-L299 HydrophobicContact CE2-CD1 4.06Å
282	S	93.6	Very high	94.1	Very high	69 Å²	69	55.8 Å²	55.8	48%	0.483	29%	0.294	S	S	.	.			trans	-109.2	140.1	179.2	58.3	0	0	0	0	112.6	Y255	Y255-S282 VanDerWaalsContact CE2-O 3.24Å; Y255-S282 WeakPolarHBondContact CE2-O 3.34Å; Y255-S282 PolarHBondContact OH-O 2.71Å
283	L	93.4	Very high	94.5	Very high	59 Å²	59	60.2 Å²	60.2	31%	0.309	31%	0.314	S	S	.	.			trans	-110	103.7	175.4	-76.9	171.1	0	0	0	109.8	Y255 Y281 L287 K292 I295	Y255-L283 HydrophobicContact CD2-CD2 4.37Å; Y255-L283 HydrophobicContact CE2-CD2 4.26Å; Y281-L283 HydrophobicContact CD2-CG 4.34Å; Y281-L283 HydrophobicContact CE2-CD1 4.18Å; Y281-L283 HydrophobicContact CE2-CD2 4.03Å; Y281-L283 HydrophobicContact CE2-CG 3.81Å; L283-L287 HydrophobicContact CD2-CD1 3.72Å; L283-K292 HydrophobicContact CB-CG 4.38Å; L283-K292 HydrophobicContact CD1-CB 4.2Å; L283-K292 HydrophobicContact CD1-CG 4.4Å; L283-I295 HydrophobicContact CD2-CB 4.26Å; L283-I295 HydrophobicContact CD2-CD1 4.14Å; L283-I295 HydrophobicContact CD2-CG2 3.95Å
284	P	88	Confident	94.8	Very high	28 Å²	28	57.2 Å²	57.2	18%	0.182	30%	0.302	C	S	.	.			trans	-60	153.1	-178.2	-26.7	37.3	0	0	0	113.8	L259 S286 L287 K292	L259-P284 HydrophobicContact CD1-CG 4.02Å; L259-P284 HydrophobicContact CD2-CB 4.47Å; L259-P284 HydrophobicContact CD2-CG 3.93Å; P284-S286 PolarHBondContact O-N 2.78Å; P284-L287 PolarHBondContact O-N 2.93Å; P284-K292 WeakPolarHBondContact O-CE 3.22Å; P284-K292 PolarHBondContact O-NZ 3.23Å
285	S	88.7	Confident	95	Very high	116 Å²	116	51.4 Å²	51.4	81%	0.811	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-35.4	176.7	49.9	0	0	0	0	112.7	L287 K292	S285-L287 VanDerWaalsContact C-N 3.3Å; S285-L287 PolarHBondContact O-N 3.44Å; S285-K292 PolarHBondContact O-NZ 3.49Å
286	S	87.1	Confident	95.2	Very high	97 Å²	97	53 Å²	53	68%	0.678	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.5	-177.3	54.6	0	0	0	0	116.8	P284	P284-S286 PolarHBondContact O-N 2.78Å
287	L	92.2	Very high	95.3	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.068	31%	0.309	C	S	.	.	S	Bend	trans	-75.8	145.4	174.6	-66.1	179.7	0	0	0	111.9	L258 L259 L283 P284 S285 K292 I295	L258-L287 HydrophobicContact CB-CD2 3.82Å; L258-L287 HydrophobicContact CD1-CD2 4.21Å; L258-L287 HydrophobicContact CG-CD2 4.45Å; L259-L287 HydrophobicContact CD1-CD1 4.06Å; L259-L287 HydrophobicContact CD2-CD1 4.49Å; L259-L287 HydrophobicContact CD2-CD2 3.9Å; L259-L287 HydrophobicContact CD2-CG 4.12Å; L259-L287 HydrophobicContact CG-CD1 4.44Å; L259-L287 HydrophobicContact CG-CD2 4.2Å; L283-L287 HydrophobicContact CD2-CD1 3.72Å; P284-L287 PolarHBondContact O-N 2.93Å; S285-L287 VanDerWaalsContact C-N 3.3Å; S285-L287 PolarHBondContact O-N 3.44Å; L287-K292 HydrophobicContact CB-CD 4.4Å; L287-K292 HydrophobicContact CB-CG 3.74Å; L287-K292 HydrophobicContact CD1-CG 4.28Å; L287-K292 WeakPolarHBondContact O-CE 3.37Å; L287-K292 PolarHBondContact O-NZ 2.68Å; L287-I295 HydrophobicContact CD1-CD1 3.98Å
288	S	95.9	Very high	95.4	Very high	28 Å²	28	51.6 Å²	51.6	20%	0.196	29%	0.293	C	S	.	.			trans	-62.3	155.6	170.5	67	0	0	0	0	112	E163 Q290 A291 K292	E163-S288 WeakPolarHBondContact OE1-CB 3.48Å; E163-S288 PolarHBondContact OE1-OG 3.38Å; S288-Q290 VanDerWaalsContact C-N 3.26Å; S288-Q290 PolarHBondContact O-N 2.83Å; S288-A291 PolarHBondContact O-N 3.35Å; S288-A291 VanDerWaalsContact OG-CB 3.22Å; S288-A291 WeakPolarHBondContact OG-CB 3.49Å; S288-A291 PolarHBondContact OG-N 3.24Å; S288-K292 WeakPolarHBondContact O-CG 3.47Å; S288-K292 PolarHBondContact O-N 3.09Å
289	P	97.3	Very high	95.6	Very high	95 Å²	95	47.7 Å²	47.7	62%	0.617	28%	0.275	S	S	*	.	H	α-helix	trans	-53.9	-43.2	172.4	-25.8	35	0	0	0	112.5	A291 K292 Q293	P289-A291 PolarHBondContact O-N 2.95Å; P289-K292 PolarHBondContact O-N 2.92Å; P289-Q293 WeakPolarHBondContact O-CB 3.37Å; P289-Q293 PolarHBondContact O-N 3.08Å
290	Q	97.6	Very high	95.7	Very high	56 Å²	56	47.4 Å²	47.4	26%	0.262	27%	0.273	S	S	.	.	H	α-helix	trans	-64.8	-38.7	179.4	-66.5	81.4	-7.8	0	0	112.3	S288 L294 H315 D316 F317	S288-Q290 VanDerWaalsContact C-N 3.26Å; S288-Q290 PolarHBondContact O-N 2.83Å; Q290-L294 PolarHBondContact O-N 3.2Å; Q290-L294 VanDerWaalsContact O-N 3.08Å; Q290-H315 PolarHBondContact O-CE1 2.89Å; Q290-D316 HydrophobicContact CG-CB 3.89Å; Q290-F317 HydrophobicContact CB-CB 4.17Å; Q290-F317 HydrophobicContact CB-CD2 4.46Å
291	A	97.9	Very high	95.7	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-69	-43	174.4	0	0	0	0	0	111.9	M254 L258 S288 P289 L294 I295 F317	M254-A291 HydrophobicContact CE-CB 4.07Å; L258-A291 HydrophobicContact CD1-CB 4.16Å; S288-A291 PolarHBondContact O-N 3.35Å; S288-A291 VanDerWaalsContact OG-CB 3.22Å; S288-A291 WeakPolarHBondContact OG-CB 3.49Å; S288-A291 PolarHBondContact OG-N 3.24Å; P289-A291 PolarHBondContact O-N 2.95Å; A291-L294 PolarHBondContact O-N 3.31Å; A291-I295 WeakPolarHBondContact O-CD1 3.37Å; A291-I295 VanDerWaalsContact O-CG1 3.26Å; A291-I295 WeakPolarHBondContact O-CG1 3.31Å; A291-I295 PolarHBondContact O-N 3.38Å; A291-F317 HydrophobicContact CB-CD2 4.09Å; A291-F317 HydrophobicContact CB-CE2 3.88Å
292	K	98.1	Very high	95.8	Very high	55 Å²	55	49.6 Å²	49.6	24%	0.239	29%	0.289	C	S	.	.	H	α-helix	trans	-58	-47.9	175	-73.2	173.2	172.3	126	0	111.4	L283 P284 S285 L287 S288 P289 I295 A296	L283-K292 HydrophobicContact CB-CG 4.38Å; L283-K292 HydrophobicContact CD1-CB 4.2Å; L283-K292 HydrophobicContact CD1-CG 4.4Å; P284-K292 WeakPolarHBondContact O-CE 3.22Å; P284-K292 PolarHBondContact O-NZ 3.23Å; S285-K292 PolarHBondContact O-NZ 3.49Å; L287-K292 HydrophobicContact CB-CD 4.4Å; L287-K292 HydrophobicContact CB-CG 3.74Å; L287-K292 HydrophobicContact CD1-CG 4.28Å; L287-K292 WeakPolarHBondContact O-CE 3.37Å; L287-K292 PolarHBondContact O-NZ 2.68Å; S288-K292 WeakPolarHBondContact O-CG 3.47Å; S288-K292 PolarHBondContact O-N 3.09Å; P289-K292 PolarHBondContact O-N 2.92Å; K292-I295 PolarHBondContact O-N 3.42Å; K292-A296 WeakPolarHBondContact O-CB 3.41Å; K292-A296 PolarHBondContact O-N 3.04Å
293	Q	98.2	Very high	95.9	Very high	97 Å²	97	47.2 Å²	47.2	45%	0.453	27%	0.272	S	S	.	.	H	α-helix	trans	-63.9	-45.6	-179.9	-172.9	179.5	10.2	0	0	112.1	P289 I295 A296 N297	P289-Q293 WeakPolarHBondContact O-CB 3.37Å; P289-Q293 PolarHBondContact O-N 3.08Å; Q293-I295 PolarHBondContact O-N 2.89Å; Q293-A296 WeakPolarHBondContact O-CB 3.44Å; Q293-A296 PolarHBondContact O-N 3.35Å; Q293-N297 PolarHBondContact O-N 2.9Å; Q293-N297 PolarHBondContact O-ND2 3.09Å; Q293-N297 PolarHBondContact O-OD1 2.96Å
294	L	98.6	Very high	96	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-40.8	178.5	-174.7	53.6	0	0	0	111.9	M254 Q290 A291 A296 N297 L298 H315 F317 F318	M254-L294 HydrophobicContact CE-CB 4.04Å; M254-L294 HydrophobicContact CE-CD2 3.98Å; M254-L294 HydrophobicContact CE-CG 4.24Å; M254-L294 HydrophobicContact SD-CB 4.17Å; M254-L294 HydrophobicContact SD-CD2 3.68Å; M254-L294 HydrophobicContact SD-CG 3.79Å; Q290-L294 PolarHBondContact O-N 3.2Å; Q290-L294 VanDerWaalsContact O-N 3.08Å; A291-L294 PolarHBondContact O-N 3.31Å; L294-A296 VanDerWaalsContact C-N 3.34Å; L294-A296 PolarHBondContact O-N 3.21Å; L294-N297 PolarHBondContact O-N 3.22Å; L294-L298 HydrophobicContact CD1-CD1 4.13Å; L294-L298 HydrophobicContact CD1-CG 4.09Å; L294-L298 HydrophobicContact CG-CD1 3.91Å; L294-L298 HydrophobicContact CG-CG 4.34Å; L294-L298 WeakPolarHBondContact O-CB 3.48Å; L294-L298 VanDerWaalsContact O-CG 3.22Å; L294-L298 WeakPolarHBondContact O-CG 3.26Å; L294-L298 PolarHBondContact O-N 3.32Å; L294-H315 HydrophobicContact CD1-CB 4.13Å; L294-F317 HydrophobicContact CD2-CB 4Å; L294-F317 HydrophobicContact CD2-CD1 3.57Å; L294-F317 HydrophobicContact CD2-CE1 4.36Å; L294-F317 HydrophobicContact CD2-CG 4.06Å; L294-F318 HydrophobicContact CD2-CD2 4.27Å; L294-F318 HydrophobicContact CD2-CE2 3.64Å; L294-F318 HydrophobicContact CD2-CZ 4.4Å
295	I	98.7	Very high	96.5	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.1	-43	174.9	-68	166.2	0	0	0	110.7	M254 Y255 L258 Y281 L283 L287 A291 K292 Q293 N297 L298 L299	M254-I295 HydrophobicContact CE-CD1 4.39Å; M254-I295 HydrophobicContact CE-CG1 3.99Å; M254-I295 HydrophobicContact CG-CD1 4.34Å; M254-I295 HydrophobicContact CG-CG1 3.89Å; M254-I295 HydrophobicContact SD-CG1 3.91Å; Y255-I295 HydrophobicContact CD2-CD1 4.38Å; Y255-I295 HydrophobicContact CD2-CG2 4.09Å; L258-I295 HydrophobicContact CD1-CD1 4.11Å; Y281-I295 HydrophobicContact CE2-CG2 3.9Å; L283-I295 HydrophobicContact CD2-CB 4.26Å; L283-I295 HydrophobicContact CD2-CD1 4.14Å; L283-I295 HydrophobicContact CD2-CG2 3.95Å; L287-I295 HydrophobicContact CD1-CD1 3.98Å; A291-I295 WeakPolarHBondContact O-CD1 3.37Å; A291-I295 VanDerWaalsContact O-CG1 3.26Å; A291-I295 WeakPolarHBondContact O-CG1 3.31Å; A291-I295 PolarHBondContact O-N 3.38Å; K292-I295 PolarHBondContact O-N 3.42Å; Q293-I295 PolarHBondContact O-N 2.89Å; I295-N297 VanDerWaalsContact C-N 3.35Å; I295-N297 PolarHBondContact O-N 3.03Å; I295-L298 PolarHBondContact O-N 3.28Å; I295-L299 HydrophobicContact CG2-CD1 3.8Å; I295-L299 HydrophobicContact CG2-CG 4.38Å; I295-L299 WeakPolarHBondContact O-CB 3.32Å; I295-L299 PolarHBondContact O-N 2.99Å
296	A	98.3	Very high	97	Very high	41 Å²	41	50.3 Å²	50.3	34%	0.339	27%	0.273	S	S	.	.	H	α-helix	trans	-59.2	-44.7	177.3	0	0	0	0	0	112.2	Y281 K292 Q293 L294 L299 A300	Y281-A296 WeakPolarHBondContact OH-CA 3.23Å; K292-A296 WeakPolarHBondContact O-CB 3.41Å; K292-A296 PolarHBondContact O-N 3.04Å; Q293-A296 WeakPolarHBondContact O-CB 3.44Å; Q293-A296 PolarHBondContact O-N 3.35Å; L294-A296 VanDerWaalsContact C-N 3.34Å; L294-A296 PolarHBondContact O-N 3.21Å; A296-L299 CarbonylContact O-C 3.58Å; A296-L299 PolarHBondContact O-N 3.02Å; A296-A300 PolarHBondContact O-N 3.37Å
297	N	98.4	Very high	97.5	Very high	60 Å²	60	47.1 Å²	47.1	32%	0.321	25%	0.25	S	C	.	.	H	α-helix	trans	-66.4	-42.1	178.1	-60.4	-10.2	0	0	0	111.9	Q293 L294 I295 A300 P307	Q293-N297 PolarHBondContact O-N 2.9Å; Q293-N297 PolarHBondContact O-ND2 3.09Å; Q293-N297 PolarHBondContact O-OD1 2.96Å; L294-N297 PolarHBondContact O-N 3.22Å; I295-N297 VanDerWaalsContact C-N 3.35Å; I295-N297 PolarHBondContact O-N 3.03Å; N297-A300 PolarHBondContact O-N 3.45Å; N297-P307 HydrophobicContact CB-CG 4.12Å; N297-P307 VanDerWaalsContact O-CD 3.3Å; N297-P307 WeakPolarHBondContact O-CD 3.46Å
298	L	98.6	Very high	97.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-69.1	-33.6	178.4	-69.2	171.1	0	0	0	113	I247 L250 M254 L294 I295 P307 I312	I247-L298 HydrophobicContact CG2-CD2 3.49Å; I247-L298 VanDerWaalsContact CG2-CD2 3.49Å; L250-L298 HydrophobicContact CD2-CD2 4.48Å; M254-L298 HydrophobicContact SD-CD1 4.08Å; L294-L298 HydrophobicContact CD1-CD1 4.13Å; L294-L298 HydrophobicContact CD1-CG 4.09Å; L294-L298 HydrophobicContact CG-CD1 3.91Å; L294-L298 HydrophobicContact CG-CG 4.34Å; L294-L298 WeakPolarHBondContact O-CB 3.48Å; L294-L298 VanDerWaalsContact O-CG 3.22Å; L294-L298 WeakPolarHBondContact O-CG 3.26Å; L294-L298 PolarHBondContact O-N 3.32Å; I295-L298 PolarHBondContact O-N 3.28Å; L298-P307 HydrophobicContact CD2-CG 4.41Å; L298-I312 HydrophobicContact CD2-CD1 3.44Å; L298-I312 VanDerWaalsContact CD2-CD1 3.44Å; L298-I312 HydrophobicContact CD2-CG1 3.84Å
299	L	98.5	Very high	97.6	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	29.5	178.7	-62.3	-179.4	0	0	0	112.5	W248 P263 F264 Y281 I295 A296 K301	W248-L299 HydrophobicContact CD2-CD2 3.71Å; W248-L299 HydrophobicContact CE3-CB 4.35Å; W248-L299 HydrophobicContact CE3-CD2 3.92Å; W248-L299 HydrophobicContact CG-CD2 4.15Å; W248-L299 HydrophobicContact CZ2-CD2 4.32Å; W248-L299 HydrophobicContact CZ3-CB 4.17Å; W248-L299 HydrophobicContact CZ3-CD2 4.32Å; W248-L299 VanDerWaalsContact CZ3-O 3.28Å; W248-L299 WeakPolarHBondContact CZ3-O 3.21Å; W248-L299 WeakPolarHBondContact O-CD2 3.45Å; P263-L299 HydrophobicContact CB-CD1 4.2Å; P263-L299 HydrophobicContact CG-CD1 4.06Å; F264-L299 HydrophobicContact CE2-CD1 4.33Å; F264-L299 HydrophobicContact CE2-CD2 4.28Å; F264-L299 HydrophobicContact CZ-CD1 4.35Å; Y281-L299 HydrophobicContact CD1-CD1 4.34Å; Y281-L299 HydrophobicContact CD2-CD1 4.47Å; Y281-L299 HydrophobicContact CE1-CB 3.84Å; Y281-L299 HydrophobicContact CE1-CD1 3.93Å; Y281-L299 HydrophobicContact CE2-CD1 4.06Å; I295-L299 HydrophobicContact CG2-CD1 3.8Å; I295-L299 HydrophobicContact CG2-CG 4.38Å; I295-L299 WeakPolarHBondContact O-CB 3.32Å; I295-L299 PolarHBondContact O-N 2.99Å; A296-L299 CarbonylContact O-C 3.58Å; A296-L299 PolarHBondContact O-N 3.02Å; L299-K301 PolarHBondContact O-N 3.4Å
300	A	98.3	Very high	97.5	Very high	16 Å²	16	48.2 Å²	48.2	13%	0.132	25%	0.246	C	C	.	.			trans	-63.1	135.4	172.1	0	0	0	0	0	110.7	A296 N297 I302 D305 R306	A296-A300 PolarHBondContact O-N 3.37Å; N297-A300 PolarHBondContact O-N 3.45Å; A300-I302 PolarHBondContact O-N 3.47Å; A300-D305 HydrophobicContact CB-CB 3.71Å; A300-R306 HydrophobicContact CB-CG 3.9Å; A300-R306 PolarHBondContact O-NE 3.46Å; A300-R306 PolarHBondContact O-NH2 2.85Å; A300-R306 VanDerWaalsContact O-NH2 3.15Å
301	K	97.3	Very high	97.4	Very high	119 Å²	119	50.4 Å²	50.4	52%	0.517	26%	0.256	S	S	.	.	S	Bend	trans	-64	-42.8	-175	-179	175.7	171.2	176.5	0	112.1	R277 A279 L299 R306	R277-K301 VanDerWaalsContact O-CE 3.22Å; R277-K301 WeakPolarHBondContact O-CE 3.17Å; A279-K301 HydrophobicContact CB-CB 3.79Å; A279-K301 HydrophobicContact CB-CG 4.3Å; L299-K301 PolarHBondContact O-N 3.4Å; K301-R306 PolarHBondContact O-NH2 3.01Å
302	I	96.8	Very high	97.4	Very high	87 Å²	87	50.5 Å²	50.5	45%	0.446	26%	0.257	S	S	.	.	S	Bend	trans	-79.7	128.9	174.6	-64.6	173.8	0	0	0	107.4	A300 E304 D305	A300-I302 PolarHBondContact O-N 3.47Å; I302-E304 VanDerWaalsContact C-N 3.27Å; I302-E304 HydrophobicContact CG2-CB 4.14Å; I302-E304 WeakPolarHBondContact CG2-OE2 3.22Å; I302-E304 PolarHBondContact O-N 3.28Å; I302-D305 HydrophobicContact CB-CB 4.3Å; I302-D305 WeakPolarHBondContact CB-OD2 3.34Å; I302-D305 PolarHBondContact O-N 2.95Å
303	P	96.4	Very high	97.3	Very high	19 Å²	19	50.5 Å²	50.5	12%	0.123	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-57.2	-38.6	178.8	-26.5	34.4	0	0	0	114	E234 E244 D305 R306	E234-P303 HydrophobicContact CB-CG 3.88Å; E234-P303 HydrophobicContact CG-CG 3.87Å; E244-P303 HydrophobicContact CB-CB 3.77Å; E244-P303 HydrophobicContact CG-CB 4.04Å; P303-D305 VanDerWaalsContact C-N 3.31Å; P303-D305 PolarHBondContact O-N 2.84Å; P303-R306 WeakPolarHBondContact O-CB 3.48Å; P303-R306 WeakPolarHBondContact O-CG 3.47Å; P303-R306 PolarHBondContact O-N 3.41Å
304	E	96.1	Very high	97.2	Very high	144 Å²	144	52.5 Å²	52.5	67%	0.673	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-73.4	-19.3	-175.2	-61.7	73.2	-162.2	0	0	113.4	I302 R306	I302-E304 VanDerWaalsContact C-N 3.27Å; I302-E304 HydrophobicContact CG2-CB 4.14Å; I302-E304 WeakPolarHBondContact CG2-OE2 3.22Å; I302-E304 PolarHBondContact O-N 3.28Å; E304-R306 VanDerWaalsContact C-N 3.26Å; E304-R306 PolarHBondContact O-N 2.71Å
305	D	97.6	Very high	97.2	Very high	106 Å²	106	53.8 Å²	53.8	57%	0.567	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-78.1	-10.5	173.9	-69.5	-11.4	0	0	0	112.4	A300 I302 P303	A300-D305 HydrophobicContact CB-CB 3.71Å; I302-D305 HydrophobicContact CB-CB 4.3Å; I302-D305 WeakPolarHBondContact CB-OD2 3.34Å; I302-D305 PolarHBondContact O-N 2.95Å; P303-D305 VanDerWaalsContact C-N 3.31Å; P303-D305 PolarHBondContact O-N 2.84Å
306	R	98.4	Very high	97.1	Very high	19 Å²	19	57 Å²	57	7%	0.072	29%	0.285	C	S	.	.	S	Bend	trans	-81.2	134	-176.9	-58.6	176.6	-164	145.7	14.3	110.2	E234 E244 I247 A300 K301 P303 E304	E234-R306 VanDerWaalsContact CD-NH1 3.31Å; E234-R306 IonicContact OE1-CZ 2.74Å; E234-R306 IonicContact OE1-NH1 2.75Å; E234-R306 PolarHBondContact OE1-NH1 2.9Å; E234-R306 IonicContact OE1-NH2 3.41Å; E234-R306 IonicContact OE2-CZ 3.51Å; E234-R306 IonicContact OE2-NH1 2.69Å; E234-R306 PolarHBondContact OE2-NH1 2.67Å; E234-R306 VanDerWaalsContact OE2-NH1 3.12Å; E234-R306 IonicContact OE2-NH2 3.39Å; E234-R306 PolarHBondContact OE2-NH2 3.45Å; E244-R306 WeakPolarHBondContact O-CD 3.38Å; E244-R306 PolarHBondContact O-NH1 2.93Å; I247-R306 HydrophobicContact CG2-CB 4.07Å; A300-R306 HydrophobicContact CB-CG 3.9Å; A300-R306 PolarHBondContact O-NE 3.46Å; A300-R306 PolarHBondContact O-NH2 2.85Å; A300-R306 VanDerWaalsContact O-NH2 3.15Å; K301-R306 PolarHBondContact O-NH2 3.01Å; P303-R306 WeakPolarHBondContact O-CB 3.48Å; P303-R306 WeakPolarHBondContact O-CG 3.47Å; P303-R306 PolarHBondContact O-N 3.41Å; E304-R306 VanDerWaalsContact C-N 3.26Å; E304-R306 PolarHBondContact O-N 2.71Å
307	P	97.8	Very high	97.1	Very high	30 Å²	30	55.2 Å²	55.2	20%	0.195	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-68.4	146.1	-180	29	-35.2	0	0	0	111.5	N297 L298 H311 I312	N297-P307 HydrophobicContact CB-CG 4.12Å; N297-P307 VanDerWaalsContact O-CD 3.3Å; N297-P307 WeakPolarHBondContact O-CD 3.46Å; L298-P307 HydrophobicContact CD2-CG 4.41Å; P307-H311 HydrophobicContact CB-CB 4.19Å; P307-I312 HydrophobicContact CB-CG1 4.09Å; P307-I312 HydrophobicContact CG-CD1 4.3Å; P307-I312 HydrophobicContact CG-CG1 3.74Å; P307-I312 WeakPolarHBondContact O-CD1 3Å
308	D	95.8	Very high	97	Very high	80 Å²	80	53.2 Å²	53.2	43%	0.428	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-68.5	166.8	170	70.7	56.4	0	0	0	112.3	E310 H311 I312	D308-E310 PolarHBondContact O-N 2.89Å; D308-E310 WeakPolarHBondContact OD1-CA 3.44Å; D308-E310 VanDerWaalsContact OD1-CB 3.29Å; D308-E310 WeakPolarHBondContact OD1-CB 3.29Å; D308-E310 PolarHBondContact OD1-N 3.31Å; D308-H311 VanDerWaalsContact CG-ND1 3.31Å; D308-H311 PolarHBondContact O-N 3.1Å; D308-H311 IonicContact OD1-CG 3.81Å; D308-H311 PolarHBondContact OD1-N 3.42Å; D308-H311 IonicContact OD1-ND1 3.3Å; D308-H311 PolarHBondContact OD1-ND1 3Å; D308-H311 IonicContact OD2-CE1 3.31Å; D308-H311 IonicContact OD2-CG 3.01Å; D308-H311 IonicContact OD2-ND1 2.81Å; D308-H311 PolarHBondContact OD2-ND1 3.36Å; D308-I312 WeakPolarHBondContact O-CD1 3.29Å; D308-I312 VanDerWaalsContact O-CG1 3.24Å; D308-I312 WeakPolarHBondContact O-CG1 3.25Å; D308-I312 PolarHBondContact O-N 3.05Å
309	L	96	Very high	96.8	Very high	14 Å²	14	57.3 Å²	57.3	7%	0.073	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-26.7	-176.3	-65.4	172.2	0	0	0	114.1	V174 L177 K178 I247 I312	V174-L309 HydrophobicContact CG1-CB 3.99Å; V174-L309 HydrophobicContact CG1-CD2 4.07Å; V174-L309 VanDerWaalsContact CG1-O 3.27Å; V174-L309 WeakPolarHBondContact CG1-O 3.18Å; L177-L309 HydrophobicContact CB-CD1 4.32Å; L177-L309 HydrophobicContact CB-CD2 4.35Å; L177-L309 HydrophobicContact CD2-CD2 3.83Å; L177-L309 HydrophobicContact CG-CD1 4.09Å; L177-L309 HydrophobicContact CG-CD2 4.14Å; K178-L309 VanDerWaalsContact CA-CD1 3.47Å; K178-L309 HydrophobicContact CB-CD1 3.97Å; I247-L309 HydrophobicContact CD1-CD2 3.37Å; I247-L309 HydrophobicContact CD1-CG 3.81Å; L309-I312 HydrophobicContact CD2-CD1 4.37Å
310	E	94.1	Very high	96.4	Very high	64 Å²	64	62.9 Å²	62.9	30%	0.299	31%	0.31	S	S	.	.	H	α-helix	trans	-83.2	-41.2	-179.4	-176.4	69	-150.8	0	0	110.5	K178 D308 L313 R314	K178-E310 IonicContact NZ-OE2 2.72Å; K178-E310 PolarHBondContact NZ-OE2 3.14Å; D308-E310 PolarHBondContact O-N 2.89Å; D308-E310 WeakPolarHBondContact OD1-CA 3.44Å; D308-E310 VanDerWaalsContact OD1-CB 3.29Å; D308-E310 WeakPolarHBondContact OD1-CB 3.29Å; D308-E310 PolarHBondContact OD1-N 3.31Å; E310-L313 PolarHBondContact O-N 3.08Å; E310-R314 VanDerWaalsContact CG-CZ 3.43Å; E310-R314 WeakPolarHBondContact O-CG 3.38Å; E310-R314 PolarHBondContact O-N 3.38Å; E310-R314 IonicContact OE1-CZ 3.78Å; E310-R314 IonicContact OE1-NE 3.2Å; E310-R314 PolarHBondContact OE1-NE 2.8Å; E310-R314 IonicContact OE1-NH2 3.18Å; E310-R314 PolarHBondContact OE1-NH2 2.95Å
311	H	95.9	Very high	95.7	Very high	102 Å²	102	63.1 Å²	63.1	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-65.3	-34.9	171.3	-76.5	98.1	0	0	0	112.9	P307 D308 L313 R314 H315	P307-H311 HydrophobicContact CB-CB 4.19Å; D308-H311 VanDerWaalsContact CG-ND1 3.31Å; D308-H311 PolarHBondContact O-N 3.1Å; D308-H311 IonicContact OD1-CG 3.81Å; D308-H311 PolarHBondContact OD1-N 3.42Å; D308-H311 IonicContact OD1-ND1 3.3Å; D308-H311 PolarHBondContact OD1-ND1 3Å; D308-H311 IonicContact OD2-CE1 3.31Å; D308-H311 IonicContact OD2-CG 3.01Å; D308-H311 IonicContact OD2-ND1 2.81Å; D308-H311 PolarHBondContact OD2-ND1 3.36Å; H311-L313 VanDerWaalsContact C-N 3.3Å; H311-L313 PolarHBondContact O-N 3.16Å; H311-R314 PolarHBondContact O-N 2.99Å; H311-R314 VanDerWaalsContact O-N 3.11Å; H311-H315 PolarHBondContact O-N 3.01Å
312	I	97.5	Very high	95.3	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-56.3	-43.8	174.2	-73.7	162	0	0	0	111.4	V174 I247 L250 L298 P307 D308 L309 R314 H315 F318	V174-I312 HydrophobicContact CG2-CG2 3.98Å; I247-I312 HydrophobicContact CD1-CD1 4.14Å; I247-I312 HydrophobicContact CG2-CD1 3.99Å; L250-I312 HydrophobicContact CD2-CD1 4.28Å; L298-I312 HydrophobicContact CD2-CD1 3.44Å; L298-I312 VanDerWaalsContact CD2-CD1 3.44Å; L298-I312 HydrophobicContact CD2-CG1 3.84Å; P307-I312 HydrophobicContact CB-CG1 4.09Å; P307-I312 HydrophobicContact CG-CD1 4.3Å; P307-I312 HydrophobicContact CG-CG1 3.74Å; P307-I312 WeakPolarHBondContact O-CD1 3Å; D308-I312 WeakPolarHBondContact O-CD1 3.29Å; D308-I312 VanDerWaalsContact O-CG1 3.24Å; D308-I312 WeakPolarHBondContact O-CG1 3.25Å; D308-I312 PolarHBondContact O-N 3.05Å; L309-I312 HydrophobicContact CD2-CD1 4.37Å; I312-R314 VanDerWaalsContact C-N 3.27Å; I312-R314 PolarHBondContact O-N 3.27Å; I312-H315 WeakPolarHBondContact O-CB 3.44Å; I312-H315 PolarHBondContact O-N 3.13Å; I312-F318 HydrophobicContact CG2-CE2 3.96Å; I312-F318 WeakPolarHBondContact O-CD2 3.38Å; I312-F318 WeakPolarHBondContact O-CE2 3.34Å
313	L	95.2	Very high	94.9	Very high	54 Å²	54	59.4 Å²	59.4	28%	0.283	30%	0.297	S	S	.	.	H	α-helix	trans	-70.4	-21.3	179.8	-65.4	177.2	0	0	0	113.8	R171 V174 E310 H311	R171-L313 HydrophobicContact CB-CD2 4.45Å; R171-L313 HydrophobicContact CG-CD2 4.02Å; V174-L313 HydrophobicContact CB-CD2 4.07Å; V174-L313 HydrophobicContact CG1-CD1 3.94Å; V174-L313 HydrophobicContact CG1-CD2 3.87Å; V174-L313 HydrophobicContact CG1-CG 3.75Å; E310-L313 PolarHBondContact O-N 3.08Å; H311-L313 VanDerWaalsContact C-N 3.3Å; H311-L313 PolarHBondContact O-N 3.16Å
314	R	96.9	Very high	94.6	Very high	139 Å²	139	58.9 Å²	58.9	53%	0.525	29%	0.294	S	S	.	.	H	α-helix	trans	-89.1	-9.5	179.4	-63.6	168.2	-172.1	176.2	-1.7	113.1	E310 H311 I312 T319	E310-R314 VanDerWaalsContact CG-CZ 3.43Å; E310-R314 WeakPolarHBondContact O-CG 3.38Å; E310-R314 PolarHBondContact O-N 3.38Å; E310-R314 IonicContact OE1-CZ 3.78Å; E310-R314 IonicContact OE1-NE 3.2Å; E310-R314 PolarHBondContact OE1-NE 2.8Å; E310-R314 IonicContact OE1-NH2 3.18Å; E310-R314 PolarHBondContact OE1-NH2 2.95Å; H311-R314 PolarHBondContact O-N 2.99Å; H311-R314 VanDerWaalsContact O-N 3.11Å; I312-R314 VanDerWaalsContact C-N 3.27Å; I312-R314 PolarHBondContact O-N 3.27Å; R314-T319 WeakPolarHBondContact O-CG2 3.35Å
315	H	98.2	Very high	94.4	Very high	28 Å²	28	60.4 Å²	60.4	13%	0.13	30%	0.301	C	S	.	.	S	Bend	trans	-63.2	144.1	-179.5	-168.2	-92.9	0	0	0	112.3	Q290 L294 H311 I312 F317 F318 T319	Q290-H315 PolarHBondContact O-CE1 2.89Å; L294-H315 HydrophobicContact CD1-CB 4.13Å; H311-H315 PolarHBondContact O-N 3.01Å; I312-H315 WeakPolarHBondContact O-CB 3.44Å; I312-H315 PolarHBondContact O-N 3.13Å; H315-F317 PolarHBondContact ND1-N 3.37Å; H315-F317 PolarHBondContact O-N 2.78Å; H315-F318 PolarHBondContact O-N 2.55Å; H315-T319 PolarHBondContact O-N 2.7Å
316	D	97.2	Very high	94.1	Very high	68 Å²	68	65 Å²	65	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-50.2	-30.5	-175.9	-83.3	-23.3	0	0	0	114.9	Q290 F318 T319 Q320	Q290-D316 HydrophobicContact CG-CB 3.89Å; D316-F318 VanDerWaalsContact C-N 3.32Å; D316-F318 PolarHBondContact O-N 2.96Å; D316-T319 WeakPolarHBondContact CA-OG1 3.48Å; D316-T319 PolarHBondContact O-N 2.88Å; D316-Q320 HydrophobicContact CB-CG 4.15Å; D316-Q320 VanDerWaalsContact O-CB 3.27Å; D316-Q320 WeakPolarHBondContact O-CB 3.32Å; D316-Q320 WeakPolarHBondContact O-CG 3.16Å; D316-Q320 PolarHBondContact O-N 3.32Å; D316-Q320 PolarHBondContact OD1-NE2 2.84Å; D316-Q320 PolarHBondContact OD2-NE2 3.36Å
317	F	97.6	Very high	93.9	Very high	3 Å²	3	64.7 Å²	64.7	1%	0.013	31%	0.31	C	S	.	.	H	α-helix	trans	-49.5	-51.8	171	-178.1	-116.6	0	0	0	111.7	E163 V166 R167 L170 M254 Q290 A291 L294 H315 G321	E163-F317 HydrophobicContact CB-CE2 4.15Å; E163-F317 HydrophobicContact CB-CZ 4.41Å; E163-F317 HydrophobicContact CG-CE2 4.05Å; V166-F317 HydrophobicContact CB-CZ 4.49Å; V166-F317 HydrophobicContact CG1-CE1 4.22Å; V166-F317 HydrophobicContact CG1-CZ 3.94Å; R167-F317 WeakPolarHBondContact CD-O 3.39Å; R167-F317 HydrophobicContact CG-CD1 3.66Å; R167-F317 HydrophobicContact CG-CE1 3.18Å; R167-F317 HydrophobicContact CG-CE2 4.23Å; R167-F317 HydrophobicContact CG-CG 4.37Å; R167-F317 HydrophobicContact CG-CZ 3.5Å; R167-F317 PolarHBondContact NE-O 3.44Å; R167-F317 VanDerWaalsContact NE-O 3.16Å; L170-F317 HydrophobicContact CD1-CE1 4.13Å; M254-F317 HydrophobicContact CE-CD1 3.91Å; M254-F317 HydrophobicContact CE-CD2 4.21Å; M254-F317 HydrophobicContact CE-CE1 3.56Å; M254-F317 HydrophobicContact CE-CE2 3.91Å; M254-F317 HydrophobicContact CE-CG 4.21Å; M254-F317 HydrophobicContact CE-CZ 3.58Å; M254-F317 HydrophobicContact SD-CE1 4.35Å; Q290-F317 HydrophobicContact CB-CB 4.17Å; Q290-F317 HydrophobicContact CB-CD2 4.46Å; A291-F317 HydrophobicContact CB-CD2 4.09Å; A291-F317 HydrophobicContact CB-CE2 3.88Å; L294-F317 HydrophobicContact CD2-CB 4Å; L294-F317 HydrophobicContact CD2-CD1 3.57Å; L294-F317 HydrophobicContact CD2-CE1 4.36Å; L294-F317 HydrophobicContact CD2-CG 4.06Å; H315-F317 PolarHBondContact ND1-N 3.37Å; H315-F317 PolarHBondContact O-N 2.78Å; F317-G321 PolarHBondContact O-N 2.83Å
318	F	96.1	Very high	93.8	Very high	19 Å²	19	66.1 Å²	66.1	8%	0.083	32%	0.32	C	S	.	.	H	α-helix	trans	-81.1	-36	-178.9	-65.5	-80.7	0	0	0	113.8	R167 L170 R171 L294 I312 H315 D316	R167-F318 HydrophobicContact CB-CD1 4.01Å; R167-F318 HydrophobicContact CB-CE1 4.14Å; R167-F318 HydrophobicContact CG-CD1 3.84Å; R167-F318 HydrophobicContact CG-CE1 4.01Å; L170-F318 HydrophobicContact CB-CE1 3.92Å; L170-F318 HydrophobicContact CB-CZ 3.75Å; L170-F318 HydrophobicContact CD1-CZ 4.17Å; R171-F318 HydrophobicContact CG-CD1 3.69Å; R171-F318 HydrophobicContact CG-CE1 3.71Å; L294-F318 HydrophobicContact CD2-CD2 4.27Å; L294-F318 HydrophobicContact CD2-CE2 3.64Å; L294-F318 HydrophobicContact CD2-CZ 4.4Å; I312-F318 HydrophobicContact CG2-CE2 3.96Å; I312-F318 WeakPolarHBondContact O-CD2 3.38Å; I312-F318 WeakPolarHBondContact O-CE2 3.34Å; H315-F318 PolarHBondContact O-N 2.55Å; D316-F318 VanDerWaalsContact C-N 3.32Å; D316-F318 PolarHBondContact O-N 2.96Å
319	T	94.4	Very high	93.7	Very high	86 Å²	86	65.4 Å²	65.4	53%	0.528	32%	0.32	S	S	.	.	H	α-helix	trans	-83.7	-32.5	-172.2	56.2	0	0	0	0	113	R314 H315 D316	R314-T319 WeakPolarHBondContact O-CG2 3.35Å; H315-T319 PolarHBondContact O-N 2.7Å; D316-T319 WeakPolarHBondContact CA-OG1 3.48Å; D316-T319 PolarHBondContact O-N 2.88Å
320	Q	90.2	Very high	93.6	Very high	121 Å²	121	67.7 Å²	67.7	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-93.1	-23	177.9	-53.2	-176.7	4	0	0	112.8	D316	D316-Q320 HydrophobicContact CB-CG 4.15Å; D316-Q320 VanDerWaalsContact O-CB 3.27Å; D316-Q320 WeakPolarHBondContact O-CB 3.32Å; D316-Q320 WeakPolarHBondContact O-CG 3.16Å; D316-Q320 PolarHBondContact O-N 3.32Å; D316-Q320 PolarHBondContact OD1-NE2 2.84Å; D316-Q320 PolarHBondContact OD2-NE2 3.36Å
321	G	84.9	Confident	93.6	Very high	20 Å²	20	64.7 Å²	64.7	21%	0.206	32%	0.324	C	S	.	.	S	Bend	trans	-96.2	129.2	-175	0	0	0	0	0	114.6	R167 F317 S323	R167-G321 PolarHBondContact NH1-O 2.84Å; F317-G321 PolarHBondContact O-N 2.83Å; G321-S323 PolarHBondContact O-N 3.33Å
322	F	87.8	Confident	93.5	Very high	104 Å²	104	60.2 Å²	60.2	46%	0.456	30%	0.304	S	S	.	.			trans	-47.6	100.8	177.4	169.6	-106.2	0	0	0	113.5	P164 R167 P324 F338 V340	P164-F322 HydrophobicContact CB-CD1 4.2Å; P164-F322 WeakPolarHBondContact CB-O 3.45Å; P164-F322 HydrophobicContact CG-CD1 4.32Å; R167-F322 VanDerWaalsContact NH1-C 3.29Å; R167-F322 PolarHBondContact NH1-O 3.34Å; F322-P324 HydrophobicContact CE1-CB 4.11Å; F322-P324 HydrophobicContact CE1-CG 4.26Å; F322-P324 HydrophobicContact CZ-CB 4.06Å; F322-P324 VanDerWaalsContact O-CD 3.28Å; F322-P324 WeakPolarHBondContact O-CD 3.49Å; F322-F338 HydrophobicContact CD1-CB 4.26Å; F322-F338 HydrophobicContact CD1-CG 4.4Å; F322-F338 HydrophobicContact CE1-CB 3.96Å; F322-F338 AromaticContact CE1-CD1 3.7Å; F322-F338 HydrophobicContact CE1-CD1 3.7Å; F322-F338 HydrophobicContact CE1-CE1 4.28Å; F322-F338 AromaticContact CE1-CG 3.88Å; F322-F338 HydrophobicContact CE1-CG 3.88Å; F322-F338 HydrophobicContact CZ-CD1 4.49Å; F322-V340 HydrophobicContact CG-CG2 4.36Å
323	S	88	Confident	93.2	Very high	24 Å²	24	66.8 Å²	66.8	17%	0.168	33%	0.334	C	S	.	.			trans	-87.1	90	173.9	-171.9	0	0	0	0	115.5	P164 R167 Y168 R171 G321	P164-S323 PolarHBondContact O-OG 3.23Å; R167-S323 VanDerWaalsContact CB-CB 3.46Å; R167-S323 WeakPolarHBondContact CB-OG 3.49Å; Y168-S323 PolarHBondContact N-OG 2.94Å; R171-S323 VanDerWaalsContact NH2-C 3.3Å; R171-S323 PolarHBondContact NH2-O 2.91Å; R171-S323 PolarHBondContact NH2-OG 2.8Å; G321-S323 PolarHBondContact O-N 3.33Å
324	P	91.6	Very high	92.9	Very high	9 Å²	9	67.4 Å²	67.4	6%	0.058	34%	0.343	C	S	.	.			trans	-55	145.1	176.2	22.8	-35.4	0	0	0	112.8	P164 Y168 R171 F322 L327 F338	P164-P324 HydrophobicContact CB-CG 4.06Å; Y168-P324 WeakPolarHBondContact CD2-O 3.32Å; R171-P324 PolarHBondContact NH2-O 3.39Å; R171-P324 VanDerWaalsContact NH2-O 3.15Å; F322-P324 HydrophobicContact CE1-CB 4.11Å; F322-P324 HydrophobicContact CE1-CG 4.26Å; F322-P324 HydrophobicContact CZ-CB 4.06Å; F322-P324 VanDerWaalsContact O-CD 3.28Å; F322-P324 WeakPolarHBondContact O-CD 3.49Å; P324-L327 HydrophobicContact CB-CD2 4.49Å; P324-L327 HydrophobicContact CG-CD2 3.94Å; P324-F338 HydrophobicContact CB-CE1 4.15Å; P324-F338 HydrophobicContact CG-CE1 4.01Å; P324-F338 HydrophobicContact CG-CZ 3.9Å
325	E	90.9	Very high	92.4	Very high	175 Å²	175	65 Å²	65	82%	0.818	35%	0.345	S	S	*	.	S	Bend	trans	-77.7	-27.1	178.8	-63.4	-175.1	174.5	0	0	113.5	Y168	Y168-E325 WeakPolarHBondContact CE2-O 2.98Å
326	R	92.3	Very high	91.8	Very high	204 Å²	204	64.9 Å²	64.9	77%	0.77	35%	0.347	S	S	*	.	S	Bend	trans	-145.5	148	179	-57.1	-175.1	-169.7	-169.4	2.2	108.8
327	L	94.4	Very high	91	Very high	12 Å²	12	67.4 Å²	67.4	6%	0.063	36%	0.361	C	S	.	.			trans	-102.1	152.7	168	-67.2	-177.2	0	0	0	110.8	E165 Y168 Y169 M201 P324 C331 F338	E165-L327 HydrophobicContact CB-CD1 4.11Å; E165-L327 HydrophobicContact CG-CD1 3.99Å; E165-L327 HydrophobicContact CG-CD2 4Å; Y168-L327 HydrophobicContact CD1-CB 4.37Å; Y168-L327 HydrophobicContact CD1-CD1 3.3Å; Y168-L327 HydrophobicContact CD1-CG 3.45Å; Y168-L327 VanDerWaalsContact CD1-CG 3.45Å; Y168-L327 HydrophobicContact CD2-CG 4.41Å; Y168-L327 HydrophobicContact CE1-CB 4.13Å; Y168-L327 HydrophobicContact CE1-CD1 3.77Å; Y168-L327 HydrophobicContact CE1-CG 3.71Å; Y168-L327 HydrophobicContact CG-CD1 3.99Å; Y168-L327 HydrophobicContact CG-CG 3.8Å; Y169-L327 HydrophobicContact CE1-CD1 4.24Å; Y169-L327 HydrophobicContact CE2-CD1 3.78Å; M201-L327 HydrophobicContact CB-CB 4.38Å; M201-L327 HydrophobicContact CE-CB 3.76Å; M201-L327 HydrophobicContact CE-CD1 4.3Å; M201-L327 WeakPolarHBondContact CG-O 3.48Å; P324-L327 HydrophobicContact CB-CD2 4.49Å; P324-L327 HydrophobicContact CG-CD2 3.94Å; L327-C331 HydrophobicContact CB-CB 4.36Å; L327-C331 HydrophobicContact CD1-CB 4.49Å; L327-F338 HydrophobicContact CD2-CE1 4.35Å; L327-F338 HydrophobicContact CD2-CZ 3.74Å
328	S	94.3	Very high	89.8	Confident	59 Å²	59	70.2 Å²	70.2	41%	0.413	37%	0.373	S	S	.	.			trans	-72.9	144.9	171	173	0	0	0	0	110.5	M201 S330 C331	M201-S328 WeakPolarHBondContact CE-O 3.08Å; S328-S330 WeakPolarHBondContact CB-OG 3.24Å; S328-S330 PolarHBondContact O-N 2.78Å; S328-S330 PolarHBondContact OG-N 2.75Å; S328-S330 VanDerWaalsContact OG-N 3.13Å; S328-S330 PolarHBondContact OG-OG 3Å; S328-C331 VanDerWaalsContact O-CB 3.23Å; S328-C331 WeakPolarHBondContact O-CB 3.28Å; S328-C331 PolarHBondContact O-N 3.27Å; S328-C331 PolarHBondContact O-SG 2.82Å; S328-C331 VanDerWaalsContact O-SG 3.32Å
329	P	95.1	Very high	88	Confident	65 Å²	65	75.3 Å²	75.3	42%	0.422	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-47.2	-28.7	164.3	-32.7	39.5	0	0	0	115.1	C331 C332	P329-C331 PolarHBondContact O-N 3.33Å; P329-C332 PolarHBondContact O-N 2.72Å
330	S	93.1	Very high	85.9	Confident	63 Å²	63	76.1 Å²	76.1	44%	0.441	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-65.4	-24	176.4	57.6	0	0	0	0	113.6	S328 C332 H333 S334	S328-S330 WeakPolarHBondContact CB-OG 3.24Å; S328-S330 PolarHBondContact O-N 2.78Å; S328-S330 PolarHBondContact OG-N 2.75Å; S328-S330 VanDerWaalsContact OG-N 3.13Å; S328-S330 PolarHBondContact OG-OG 3Å; S330-C332 PolarHBondContact O-N 2.81Å; S330-C332 VanDerWaalsContact O-N 3.09Å; S330-H333 PolarHBondContact O-N 3.01Å; S330-S334 PolarHBondContact O-N 3.28Å
331	C	94.2	Very high	83.4	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.007	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-60.3	-21	177.9	-60.7	0	0	0	0	112.9	R158 M201 L327 S328 P329 H333 S334	R158-C331 PolarHBondContact NH1-O 3.35Å; M201-C331 HydrophobicContact CE-CB 3.92Å; L327-C331 HydrophobicContact CB-CB 4.36Å; L327-C331 HydrophobicContact CD1-CB 4.49Å; S328-C331 VanDerWaalsContact O-CB 3.23Å; S328-C331 WeakPolarHBondContact O-CB 3.28Å; S328-C331 PolarHBondContact O-N 3.27Å; S328-C331 PolarHBondContact O-SG 2.82Å; S328-C331 VanDerWaalsContact O-SG 3.32Å; P329-C331 PolarHBondContact O-N 3.33Å; C331-H333 PolarHBondContact O-N 3.26Å; C331-S334 WeakPolarHBondContact CA-O 3.47Å
332	C	93.9	Very high	81.2	Confident	8 Å²	8	77.3 Å²	77.3	5%	0.054	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-60.1	-22.2	171.5	-67.7	0	0	0	0	114	I154 M201 P329 S330	I154-C332 HydrophobicContact CG1-CB 4.27Å; M201-C332 VanDerWaalsContact SD-SG 3.68Å; P329-C332 PolarHBondContact O-N 2.72Å; S330-C332 PolarHBondContact O-N 2.81Å; S330-C332 VanDerWaalsContact O-N 3.09Å
333	H	91.8	Very high	79	Confident	140 Å²	140	77.6 Å²	77.6	65%	0.648	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134	-30.2	-170.6	-60.4	-52.5	0	0	0	114.5	R158 S330 C331	R158-H333 VanDerWaalsContact CD-C 3.46Å; S330-H333 PolarHBondContact O-N 3.01Å; C331-H333 PolarHBondContact O-N 3.26Å
334	S	88.6	Confident	76.7	Confident	67 Å²	67	78.9 Å²	78.9	47%	0.469	44%	0.444	S	S	.	.	S	Bend	trans	-128.9	147.6	-177.8	-54.6	0	0	0	0	111.2	R158 S330 C331	R158-S334 PolarHBondContact NH1-O 3.47Å; S330-S334 PolarHBondContact O-N 3.28Å; C331-S334 WeakPolarHBondContact CA-O 3.47Å
335	P	86.2	Confident	74.3	Confident	88 Å²	88	85.4 Å²	85.4	57%	0.571	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-59.1	137.6	170.5	-23.8	34.8	0	0	0	112.2
336	P	85.4	Confident	72	Confident	27 Å²	27	80.3 Å²	80.3	18%	0.175	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-74.9	143.8	170.9	29.1	-34.1	0	0	0	112.6	E165 F338	E165-P336 VanDerWaalsContact CD-CD 3.49Å; E165-P336 HydrophobicContact CG-CG 3.88Å; E165-P336 WeakPolarHBondContact OE1-CD 3.48Å; E165-P336 WeakPolarHBondContact OE2-CD 3.27Å; P336-F338 HydrophobicContact CB-CD1 4.41Å; P336-F338 HydrophobicContact CB-CD2 4.29Å; P336-F338 HydrophobicContact CB-CE1 3.92Å; P336-F338 HydrophobicContact CB-CE2 3.78Å; P336-F338 HydrophobicContact CB-CZ 3.58Å; P336-F338 HydrophobicContact CG-CD2 3.94Å; P336-F338 HydrophobicContact CG-CE1 4.18Å; P336-F338 HydrophobicContact CG-CE2 3.19Å; P336-F338 HydrophobicContact CG-CZ 3.34Å
337	D	80.1	Confident	69.6	Low	121 Å²	121	77.9 Å²	77.9	65%	0.647	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-84.1	119.9	162.6	-179.5	-0.5	0	0	0	109.5	H339	D337-H339 VanDerWaalsContact OD1-CB 3.32Å; D337-H339 WeakPolarHBondContact OD1-CB 3.37Å; D337-H339 IonicContact OD1-CD2 3.14Å; D337-H339 PolarHBondContact OD1-CD2 3.13Å; D337-H339 IonicContact OD1-CG 3.48Å; D337-H339 PolarHBondContact OD1-N 2.89Å; D337-H339 IonicContact OD1-ND1 2.77Å; D337-H339 IonicContact OD2-CD2 2.92Å; D337-H339 PolarHBondContact OD2-CD2 2.82Å; D337-H339 IonicContact OD2-CG 3.92Å
338	F	71.6	Confident	67.2	Low	61 Å²	61	84.5 Å²	84.5	27%	0.268	48%	0.479	S	S	.	.			trans	-114.6	49.5	175.2	-61.8	-56.9	0	0	0	111.6	P164 E165 F322 P324 L327 P336 V340	P164-F338 HydrophobicContact CB-CD2 3.79Å; P164-F338 HydrophobicContact CB-CE2 3.52Å; P164-F338 HydrophobicContact CB-CZ 4.16Å; P164-F338 HydrophobicContact CG-CD2 3.79Å; P164-F338 HydrophobicContact CG-CE2 3.98Å; E165-F338 HydrophobicContact CG-CE2 4.16Å; E165-F338 HydrophobicContact CG-CZ 4.29Å; F322-F338 HydrophobicContact CD1-CB 4.26Å; F322-F338 HydrophobicContact CD1-CG 4.4Å; F322-F338 HydrophobicContact CE1-CB 3.96Å; F322-F338 AromaticContact CE1-CD1 3.7Å; F322-F338 HydrophobicContact CE1-CD1 3.7Å; F322-F338 HydrophobicContact CE1-CE1 4.28Å; F322-F338 AromaticContact CE1-CG 3.88Å; F322-F338 HydrophobicContact CE1-CG 3.88Å; F322-F338 HydrophobicContact CZ-CD1 4.49Å; P324-F338 HydrophobicContact CB-CE1 4.15Å; P324-F338 HydrophobicContact CG-CE1 4.01Å; P324-F338 HydrophobicContact CG-CZ 3.9Å; L327-F338 HydrophobicContact CD2-CE1 4.35Å; L327-F338 HydrophobicContact CD2-CZ 3.74Å; P336-F338 HydrophobicContact CB-CD1 4.41Å; P336-F338 HydrophobicContact CB-CD2 4.29Å; P336-F338 HydrophobicContact CB-CE1 3.92Å; P336-F338 HydrophobicContact CB-CE2 3.78Å; P336-F338 HydrophobicContact CB-CZ 3.58Å; P336-F338 HydrophobicContact CG-CD2 3.94Å; P336-F338 HydrophobicContact CG-CE1 4.18Å; P336-F338 HydrophobicContact CG-CE2 3.19Å; P336-F338 HydrophobicContact CG-CZ 3.34Å; F338-V340 VanDerWaalsContact C-N 3.33Å; F338-V340 PolarHBondContact O-N 3.48Å
339	H	60	Low	64.7	Low	127 Å²	127	89.3 Å²	89.3	59%	0.588	49%	0.493	S	S	*	.			trans	-61.7	83.4	176.8	-94	-23.1	0	0	0	114.4	D337 S341	D337-H339 VanDerWaalsContact OD1-CB 3.32Å; D337-H339 WeakPolarHBondContact OD1-CB 3.37Å; D337-H339 IonicContact OD1-CD2 3.14Å; D337-H339 PolarHBondContact OD1-CD2 3.13Å; D337-H339 IonicContact OD1-CG 3.48Å; D337-H339 PolarHBondContact OD1-N 2.89Å; D337-H339 IonicContact OD1-ND1 2.77Å; D337-H339 IonicContact OD2-CD2 2.92Å; D337-H339 PolarHBondContact OD2-CD2 2.82Å; D337-H339 IonicContact OD2-CG 3.92Å; H339-S341 PolarHBondContact O-N 3.15Å; H339-S341 VanDerWaalsContact O-N 3.13Å
340	V	48.9	Very low	62.4	Low	103 Å²	103	93.6 Å²	93.6	62%	0.624	51%	0.505	S	S	*	.			trans	-59.9	113.2	168.1	-179.5	0	0	0	0	109.5	F322 F338 S342	F322-V340 HydrophobicContact CG-CG2 4.36Å; F338-V340 VanDerWaalsContact C-N 3.33Å; F338-V340 PolarHBondContact O-N 3.48Å; V340-S342 PolarHBondContact O-N 2.88Å
341	S	38.9	Very low	59.8	Low	111 Å²	111	92.4 Å²	92.4	78%	0.776	50%	0.498	S	S	*	.			trans	-81.2	81.8	-173.8	-71.8	0	0	0	0	112.1	H339	H339-S341 PolarHBondContact O-N 3.15Å; H339-S341 VanDerWaalsContact O-N 3.13Å
342	S	37.5	Very low	57.1	Low	55 Å²	55	94.6 Å²	94.6	39%	0.385	52%	0.516	S	S	.	.			trans	-53.7	129.8	168.5	172.2	0	0	0	0	110.9	V340 A344 K345 S346	V340-S342 PolarHBondContact O-N 2.88Å; S342-A344 PolarHBondContact O-N 3.45Å; S342-A344 VanDerWaalsContact O-N 3.17Å; S342-A344 PolarHBondContact OG-N 2.97Å; S342-K345 PolarHBondContact O-N 3.21Å; S342-S346 PolarHBondContact O-N 3.19Å
343	P	41.6	Very low	54.7	Low	109 Å²	109	97 Å²	97	71%	0.708	54%	0.538	S	S	*	.	H	α-helix	trans	-55.1	-33.4	177	-28.5	36.1	0	0	0	113.5	K345 S346 F347	P343-K345 PolarHBondContact O-N 3.41Å; P343-S346 WeakPolarHBondContact O-CA 3.31Å; P343-S346 VanDerWaalsContact O-CB 3.3Å; P343-S346 WeakPolarHBondContact O-CB 3.3Å; P343-S346 PolarHBondContact O-N 3.45Å; P343-S346 VanDerWaalsContact O-N 3.09Å; P343-F347 PolarHBondContact O-N 3.17Å
344	A	40.6	Very low	52.5	Low	51 Å²	51	94.6 Å²	94.6	42%	0.421	54%	0.541	S	S	.	.	H	α-helix	trans	-60.8	-42	174.4	0	0	0	0	0	112	S342 S346 F347 F348	S342-A344 PolarHBondContact O-N 3.45Å; S342-A344 VanDerWaalsContact O-N 3.17Å; S342-A344 PolarHBondContact OG-N 2.97Å; A344-S346 VanDerWaalsContact C-N 3.29Å; A344-S346 PolarHBondContact O-N 3.09Å; A344-F347 PolarHBondContact O-N 3.32Å; A344-F348 VanDerWaalsContact O-CD2 3.31Å; A344-F348 WeakPolarHBondContact O-CD2 3.5Å; A344-F348 PolarHBondContact O-N 3.26Å
345	K	41.7	Very low	50.2	Low	146 Å²	146	97.7 Å²	97.7	64%	0.635	55%	0.552	S	S	*	*	H	α-helix	trans	-65.8	-30.8	174.2	-76.6	-172.2	175.6	-179.6	0	112.2	S342 P343 K349	S342-K345 PolarHBondContact O-N 3.21Å; P343-K345 PolarHBondContact O-N 3.41Å; K345-K349 WeakPolarHBondContact O-CB 3.03Å; K345-K349 PolarHBondContact O-N 2.93Å
346	S	42.3	Very low	48.2	Very low	68 Å²	68	101.2 Å²	101.2	48%	0.476	56%	0.559	S	S	.	*	H	α-helix	trans	-65.3	-45.6	171.2	-172.9	0	0	0	0	111.5	S342 P343 A344 K349 K350	S342-S346 PolarHBondContact O-N 3.19Å; P343-S346 WeakPolarHBondContact O-CA 3.31Å; P343-S346 VanDerWaalsContact O-CB 3.3Å; P343-S346 WeakPolarHBondContact O-CB 3.3Å; P343-S346 PolarHBondContact O-N 3.45Å; P343-S346 VanDerWaalsContact O-N 3.09Å; A344-S346 VanDerWaalsContact C-N 3.29Å; A344-S346 PolarHBondContact O-N 3.09Å; S346-K349 PolarHBondContact O-N 3.14Å; S346-K350 PolarHBondContact O-N 3.29Å
347	F	42.3	Very low	46.2	Very low	154 Å²	154	103.3 Å²	103.3	68%	0.675	59%	0.585	S	S	*	*	H	α-helix	trans	-63.5	-50.6	178.3	-160.3	-91.9	0	0	0	112	P343 A344 K349 K350 A351	P343-F347 PolarHBondContact O-N 3.17Å; A344-F347 PolarHBondContact O-N 3.32Å; F347-K349 VanDerWaalsContact C-N 3.31Å; F347-K349 PolarHBondContact O-N 2.65Å; F347-K350 PolarHBondContact O-N 3.5Å; F347-K350 VanDerWaalsContact O-N 3.15Å; F347-A351 PolarHBondContact O-N 3.32Å
348	F	43.6	Very low	44.1	Very low	151 Å²	151	100.4 Å²	100.4	66%	0.662	58%	0.583	S	S	*	*	H	α-helix	trans	-61.9	-34.9	174.4	-82.2	-70.4	0	0	0	112.8	A344 K350 A351 A352	A344-F348 VanDerWaalsContact O-CD2 3.31Å; A344-F348 WeakPolarHBondContact O-CD2 3.5Å; A344-F348 PolarHBondContact O-N 3.26Å; F348-K350 VanDerWaalsContact C-N 3.34Å; F348-A351 PolarHBondContact O-N 3.11Å; F348-A352 WeakPolarHBondContact O-CB 3.46Å; F348-A352 PolarHBondContact O-N 3.24Å
349	K	41.6	Very low	42.8	Very low	160 Å²	160	107.6 Å²	107.6	70%	0.696	62%	0.615	S	S	*	*	H	α-helix	trans	-69.2	-29.9	175.8	-173.3	173.7	-178.5	179.3	0	112.6	K345 S346 F347 A353	K345-K349 WeakPolarHBondContact O-CB 3.03Å; K345-K349 PolarHBondContact O-N 2.93Å; S346-K349 PolarHBondContact O-N 3.14Å; F347-K349 VanDerWaalsContact C-N 3.31Å; F347-K349 PolarHBondContact O-N 2.65Å; K349-A353 WeakPolarHBondContact O-CB 3.45Å; K349-A353 PolarHBondContact O-N 3.41Å
350	K	45.8	Very low	41.8	Very low	155 Å²	155	111.9 Å²	111.9	67%	0.674	63%	0.626	S	S	*	*	H	α-helix	trans	-73.8	-48.9	169.4	-74.3	-175.7	176.3	-175.4	0	111.7	S346 F347 F348 A352 A353 A354	S346-K350 PolarHBondContact O-N 3.29Å; F347-K350 PolarHBondContact O-N 3.5Å; F347-K350 VanDerWaalsContact O-N 3.15Å; F348-K350 VanDerWaalsContact C-N 3.34Å; K350-A352 PolarHBondContact O-N 3.18Å; K350-A353 PolarHBondContact O-N 2.83Å; K350-A353 VanDerWaalsContact O-N 3.17Å; K350-A354 PolarHBondContact O-N 3.23Å
351	A	39	Very low	41.5	Very low	37 Å²	37	112.9 Å²	112.9	31%	0.306	63%	0.628	S	S	.	*	H	α-helix	trans	-60.1	-46.6	178.8	0	0	0	0	0	112.2	F347 F348 A353 A354 L355	F347-A351 PolarHBondContact O-N 3.32Å; F348-A351 PolarHBondContact O-N 3.11Å; A351-A353 VanDerWaalsContact C-N 3.32Å; A351-A353 PolarHBondContact O-N 3.14Å; A351-A354 PolarHBondContact O-N 3.43Å; A351-L355 WeakPolarHBondContact O-CB 3.21Å; A351-L355 WeakPolarHBondContact O-CG 3.46Å; A351-L355 PolarHBondContact O-N 3.33Å
352	A	37.5	Very low	41.4	Very low	47 Å²	47	115.4 Å²	115.4	39%	0.388	63%	0.625	S	S	.	*	H	α-helix	trans	-69.3	-26.1	176.5	0	0	0	0	0	113.2	F348 K350 F356	F348-A352 WeakPolarHBondContact O-CB 3.46Å; F348-A352 PolarHBondContact O-N 3.24Å; K350-A352 PolarHBondContact O-N 3.18Å; A352-F356 CarbonylContact O-C 3.5Å; A352-F356 WeakPolarHBondContact O-CA 3.47Å; A352-F356 WeakPolarHBondContact O-CB 3.17Å; A352-F356 PolarHBondContact O-N 3.24Å
353	A	44.5	Very low	41.6	Very low	60 Å²	60	117.1 Å²	117.1	50%	0.496	63%	0.632	S	S	.	*	H	α-helix	trans	-72.8	-29.8	171.6	0	0	0	0	0	112.6	K349 K350 A351	K349-A353 WeakPolarHBondContact O-CB 3.45Å; K349-A353 PolarHBondContact O-N 3.41Å; K350-A353 PolarHBondContact O-N 2.83Å; K350-A353 VanDerWaalsContact O-N 3.17Å; A351-A353 VanDerWaalsContact C-N 3.32Å; A351-A353 PolarHBondContact O-N 3.14Å
354	A	44.6	Very low	41.5	Very low	88 Å²	88	119 Å²	119	73%	0.727	63%	0.629	S	S	*	*	H	α-helix	trans	-77.7	-38.7	173.7	0	0	0	0	0	112.7	K350 A351	K350-A354 PolarHBondContact O-N 3.23Å; A351-A354 PolarHBondContact O-N 3.43Å
355	L	39.6	Very low	41.2	Very low	132 Å²	132	123.8 Å²	123.8	69%	0.691	64%	0.637	S	S	*	*	H	α-helix	trans	-85.5	-34	-177.8	-67.5	169.4	0	0	0	113.9	A351	A351-L355 WeakPolarHBondContact O-CB 3.21Å; A351-L355 WeakPolarHBondContact O-CG 3.46Å; A351-L355 PolarHBondContact O-N 3.33Å
356	F	45.8	Very low	41	Very low	163 Å²	163	122.9 Å²	122.9	72%	0.715	63%	0.631	S	S	*	*			trans	-126.9	51.6	-174.4	-57.4	-79.1	0	0	0	111.1	A352 G358	A352-F356 CarbonylContact O-C 3.5Å; A352-F356 WeakPolarHBondContact O-CA 3.47Å; A352-F356 WeakPolarHBondContact O-CB 3.17Å; A352-F356 PolarHBondContact O-N 3.24Å; F356-G358 PolarHBondContact O-N 3.25Å
357	G	41.9	Very low	41	Very low	71 Å²	71	125.2 Å²	125.2	73%	0.732	63%	0.634	S	S	*	*			trans	-67	27.2	-179.5	0	0	0	0	0	116.3
358	G	36.7	Very low	40.7	Very low	59 Å²	59	121.9 Å²	121.9	61%	0.608	63%	0.627	S	S	*	*			trans	-101	119.1	179.7	0	0	0	0	0	112.9	F356 R360	F356-G358 PolarHBondContact O-N 3.25Å; G358-R360 PolarHBondContact O-N 3.15Å
359	K	44.7	Very low	40.2	Very low	213 Å²	213	118.7 Å²	118.7	93%	0.926	62%	0.616	S	S	*	*	S	Bend	trans	-76.8	82.9	173.6	-70.5	-179.5	179.9	175.2	0	111.4
360	R	39.5	Very low	40	Very low	217 Å²	217	115.8 Å²	115.8	82%	0.819	61%	0.608	S	S	*	*	S	Bend	trans	-148	-47.6	164.2	-108.1	151.3	-165	-173	2.1	115.5	G358 K362	G358-R360 PolarHBondContact O-N 3.15Å; R360-K362 PolarHBondContact O-N 3.33Å
361	D	41.8	Very low	39.6	Very low	124 Å²	124	112.6 Å²	112.6	66%	0.663	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-3.2	-162.4	-53.2	-69.7	0	0	0	116.8	V363	D361-V363 VanDerWaalsContact C-N 3.28Å; D361-V363 PolarHBondContact O-N 3.45Å
362	K	36.1	Very low	39.4	Very low	164 Å²	164	115.4 Å²	115.4	71%	0.713	60%	0.604	S	S	*	*	H	α-helix	trans	-70.6	-19.8	177.1	-79	179.9	179.5	164.8	0	114.4	R360 Y366	R360-K362 PolarHBondContact O-N 3.33Å; K362-Y366 WeakPolarHBondContact O-CD2 3.36Å
363	V	43.1	Very low	39.3	Very low	90 Å²	90	116.4 Å²	116.4	55%	0.545	61%	0.605	S	S	.	*	H	α-helix	trans	-74.9	-56.2	-178.8	-177.4	0	0	0	0	109.5	D361 Y365 Y366 E367	D361-V363 VanDerWaalsContact C-N 3.28Å; D361-V363 PolarHBondContact O-N 3.45Å; V363-Y365 PolarHBondContact O-N 2.9Å; V363-Y366 PolarHBondContact O-N 3.04Å; V363-E367 VanDerWaalsContact CG1-CD 3.49Å; V363-E367 HydrophobicContact CG1-CG 4.22Å; V363-E367 WeakPolarHBondContact CG1-OE1 3.47Å; V363-E367 WeakPolarHBondContact O-CG 3Å; V363-E367 PolarHBondContact O-N 3.48Å
364	K	38.3	Very low	39.1	Very low	148 Å²	148	119.3 Å²	119.3	64%	0.643	61%	0.607	S	S	*	*	H	α-helix	trans	-53	-44.3	-179.3	-72.9	-172.4	172.4	-174.2	0	114.1	Y366 E367 T368	K364-Y366 PolarHBondContact O-N 3.17Å; K364-E367 PolarHBondContact O-N 3Å; K364-T368 PolarHBondContact O-N 3.14Å; K364-T368 PolarHBondContact O-OG1 3.18Å; K364-T368 VanDerWaalsContact O-OG1 3.06Å
365	Y	35.3	Very low	39	Very low	152 Å²	152	117.8 Å²	117.8	60%	0.596	58%	0.584	S	S	*	*	H	α-helix	trans	-61.8	-43.6	-177.2	-176.8	-97.6	0	0	0	112.8	V363 L369	V363-Y365 PolarHBondContact O-N 2.9Å; Y365-L369 PolarHBondContact O-N 3.23Å; Y365-L369 VanDerWaalsContact O-N 3.15Å
366	Y	36.7	Very low	39.1	Very low	128 Å²	128	117.7 Å²	117.7	50%	0.502	58%	0.581	S	S	.	*	H	α-helix	trans	-75.8	-30	176.9	-78.5	-86.6	0	0	0	112.3	K362 V363 K364 N370	K362-Y366 WeakPolarHBondContact O-CD2 3.36Å; V363-Y366 PolarHBondContact O-N 3.04Å; K364-Y366 PolarHBondContact O-N 3.17Å; Y366-N370 VanDerWaalsContact O-CB 3.23Å; Y366-N370 WeakPolarHBondContact O-CB 3.28Å; Y366-N370 PolarHBondContact O-N 3.15Å; Y366-N370 PolarHBondContact O-ND2 2.94Å; Y366-N370 VanDerWaalsContact O-ND2 3.14Å
367	E	42	Very low	38.8	Very low	116 Å²	116	115.6 Å²	115.6	54%	0.542	57%	0.573	S	S	.	*	H	α-helix	trans	-64.3	-47.4	171.1	-73.3	174.3	153.5	0	0	111.9	V363 K364 L369 N370 K371	V363-E367 VanDerWaalsContact CG1-CD 3.49Å; V363-E367 HydrophobicContact CG1-CG 4.22Å; V363-E367 WeakPolarHBondContact CG1-OE1 3.47Å; V363-E367 WeakPolarHBondContact O-CG 3Å; V363-E367 PolarHBondContact O-N 3.48Å; K364-E367 PolarHBondContact O-N 3Å; E367-L369 PolarHBondContact O-N 3.22Å; E367-N370 PolarHBondContact O-N 3.37Å; E367-K371 WeakPolarHBondContact O-CB 3.39Å; E367-K371 PolarHBondContact O-N 2.82Å
368	T	36.5	Very low	38.9	Very low	85 Å²	85	115.4 Å²	115.4	52%	0.521	55%	0.553	S	S	.	*	H	α-helix	trans	-61.3	-43.3	176.7	-56.1	0	0	0	0	111.6	K364 K371 L372	K364-T368 PolarHBondContact O-N 3.14Å; K364-T368 PolarHBondContact O-OG1 3.18Å; K364-T368 VanDerWaalsContact O-OG1 3.06Å; T368-K371 PolarHBondContact O-N 3.5Å; T368-L372 HydrophobicContact CG2-CD1 4.31Å; T368-L372 WeakPolarHBondContact O-CG 3.41Å; T368-L372 PolarHBondContact O-N 3.37Å; T368-L372 VanDerWaalsContact O-N 3.12Å
369	L	32.4	Very low	39.2	Very low	83 Å²	83	115.6 Å²	115.6	44%	0.435	54%	0.54	S	S	.	.	H	α-helix	trans	-64.6	-46.8	178.5	-146.1	80.4	0	0	0	111.5	Y365 E367 K371 L372 T373	Y365-L369 PolarHBondContact O-N 3.23Å; Y365-L369 VanDerWaalsContact O-N 3.15Å; E367-L369 PolarHBondContact O-N 3.22Å; L369-K371 VanDerWaalsContact C-N 3.33Å; L369-K371 PolarHBondContact O-N 2.97Å; L369-L372 PolarHBondContact O-N 3.43Å; L369-T373 PolarHBondContact O-N 2.91Å; L369-T373 VanDerWaalsContact O-N 3.12Å; L369-T373 PolarHBondContact O-OG1 3.39Å
370	N	37.5	Very low	39.2	Very low	99 Å²	99	110.4 Å²	110.4	53%	0.529	52%	0.515	S	S	.	.	H	α-helix	trans	-66.7	-31.8	177.9	-73.1	-26.2	0	0	0	112.8	Y366 E367 T373 K374	Y366-N370 VanDerWaalsContact O-CB 3.23Å; Y366-N370 WeakPolarHBondContact O-CB 3.28Å; Y366-N370 PolarHBondContact O-N 3.15Å; Y366-N370 PolarHBondContact O-ND2 2.94Å; Y366-N370 VanDerWaalsContact O-ND2 3.14Å; E367-N370 PolarHBondContact O-N 3.37Å; N370-T373 WeakPolarHBondContact CA-OG1 3.37Å; N370-T373 PolarHBondContact O-OG1 3.38Å; N370-K374 WeakPolarHBondContact O-CB 3.25Å; N370-K374 PolarHBondContact O-N 3.25Å; N370-K374 VanDerWaalsContact O-N 3.08Å
371	K	37.7	Very low	39.5	Very low	88 Å²	88	104.3 Å²	104.3	38%	0.383	49%	0.494	S	S	.	.	H	α-helix	trans	-66	-49.4	177	-171.8	173.3	-176.8	-178.4	0	110.3	E367 T368 L369 K374 E375 E547	E367-K371 WeakPolarHBondContact O-CB 3.39Å; E367-K371 PolarHBondContact O-N 2.82Å; T368-K371 PolarHBondContact O-N 3.5Å; L369-K371 VanDerWaalsContact C-N 3.33Å; L369-K371 PolarHBondContact O-N 2.97Å; K371-K374 PolarHBondContact O-N 3.37Å; K371-E375 WeakPolarHBondContact CE-OE1 3.38Å; K371-E375 VanDerWaalsContact CG-OE1 3.31Å; K371-E375 WeakPolarHBondContact CG-OE1 3.45Å; K371-E375 WeakPolarHBondContact O-CG 3.41Å; K371-E375 PolarHBondContact O-N 3.01Å; K371-E547 IonicContact NZ-OE1 3.99Å; K371-E547 PolarHBondContact NZ-OE1 3.01Å; K371-E547 VanDerWaalsContact NZ-OE1 3.14Å
372	L	34.6	Very low	39.5	Very low	97 Å²	97	98.5 Å²	98.5	51%	0.508	46%	0.463	S	S	.	.	H	α-helix	trans	-58.4	-52.2	175.7	-72.1	166.7	0	0	0	112.3	T368 L369 K374 E375 E376	T368-L372 HydrophobicContact CG2-CD1 4.31Å; T368-L372 WeakPolarHBondContact O-CG 3.41Å; T368-L372 PolarHBondContact O-N 3.37Å; T368-L372 VanDerWaalsContact O-N 3.12Å; L369-L372 PolarHBondContact O-N 3.43Å; L372-K374 PolarHBondContact O-N 3.01Å; L372-E375 PolarHBondContact O-N 3.18Å; L372-E376 WeakPolarHBondContact O-CG 3.43Å; L372-E376 PolarHBondContact O-N 2.91Å
373	T	36.8	Very low	39.8	Very low	68 Å²	68	94 Å²	94	42%	0.417	45%	0.445	S	S	.	.	H	α-helix	trans	-63.4	-28.9	-179.9	53.7	0	0	0	0	113	L369 N370 E377	L369-T373 PolarHBondContact O-N 2.91Å; L369-T373 VanDerWaalsContact O-N 3.12Å; L369-T373 PolarHBondContact O-OG1 3.39Å; N370-T373 WeakPolarHBondContact CA-OG1 3.37Å; N370-T373 PolarHBondContact O-OG1 3.38Å; T373-E377 WeakPolarHBondContact O-CG 3.2Å; T373-E377 PolarHBondContact O-N 3.5Å
374	K	39.7	Very low	39.9	Very low	121 Å²	121	92.1 Å²	92.1	53%	0.526	43%	0.43	S	S	.	.	H	α-helix	trans	-79.4	-35.1	178.5	-172	179.8	176.4	-165.3	0	112.2	N370 K371 L372 E376 E377 E378	N370-K374 WeakPolarHBondContact O-CB 3.25Å; N370-K374 PolarHBondContact O-N 3.25Å; N370-K374 VanDerWaalsContact O-N 3.08Å; K371-K374 PolarHBondContact O-N 3.37Å; L372-K374 PolarHBondContact O-N 3.01Å; K374-E376 VanDerWaalsContact C-N 3.35Å; K374-E377 PolarHBondContact O-N 3.4Å; K374-E378 VanDerWaalsContact CE-OE1 3.28Å; K374-E378 WeakPolarHBondContact CE-OE1 3.49Å; K374-E378 WeakPolarHBondContact O-CB 3.42Å; K374-E378 WeakPolarHBondContact O-CG 3.49Å; K374-E378 PolarHBondContact O-N 3.37Å
375	E	41.9	Very low	40.2	Very low	55 Å²	55	86.6 Å²	86.6	26%	0.257	41%	0.407	S	S	.	.	H	α-helix	trans	-63.3	-42	170.4	-73.4	165.9	-172.3	0	0	110.3	K371 L372 E378 I379 V550	K371-E375 WeakPolarHBondContact CE-OE1 3.38Å; K371-E375 VanDerWaalsContact CG-OE1 3.31Å; K371-E375 WeakPolarHBondContact CG-OE1 3.45Å; K371-E375 WeakPolarHBondContact O-CG 3.41Å; K371-E375 PolarHBondContact O-N 3.01Å; L372-E375 PolarHBondContact O-N 3.18Å; E375-E378 PolarHBondContact O-N 3.2Å; E375-I379 WeakPolarHBondContact O-CD1 3.44Å; E375-I379 VanDerWaalsContact O-CG1 3.25Å; E375-I379 WeakPolarHBondContact O-CG1 3.28Å; E375-I379 PolarHBondContact O-N 3.36Å; E375-V550 WeakPolarHBondContact OE1-CG1 3.45Å
376	E	41.4	Very low	40.5	Very low	131 Å²	131	79.6 Å²	79.6	61%	0.612	38%	0.38	S	S	*	.	H	α-helix	trans	-63.3	-45.2	171.6	-69	179.6	148.8	0	0	113.1	L372 K374 E378 I379 Y380	L372-E376 WeakPolarHBondContact O-CG 3.43Å; L372-E376 PolarHBondContact O-N 2.91Å; K374-E376 VanDerWaalsContact C-N 3.35Å; E376-E378 VanDerWaalsContact C-N 3.33Å; E376-E378 PolarHBondContact O-N 2.71Å; E376-I379 PolarHBondContact O-N 3.45Å; E376-Y380 PolarHBondContact O-N 2.67Å
377	E	40.6	Very low	40.9	Very low	118 Å²	118	78.4 Å²	78.4	55%	0.551	38%	0.379	S	S	*	.	H	α-helix	trans	-60.1	-40.3	174.6	-84.6	-164.7	165.5	0	0	112.3	T373 K374 Y380 K381	T373-E377 WeakPolarHBondContact O-CG 3.2Å; T373-E377 PolarHBondContact O-N 3.5Å; K374-E377 PolarHBondContact O-N 3.4Å; E377-Y380 PolarHBondContact O-N 3.23Å; E377-K381 WeakPolarHBondContact O-CB 3.23Å; E377-K381 PolarHBondContact O-N 3.2Å
378	E	43.7	Very low	41	Very low	68 Å²	68	79.3 Å²	79.3	32%	0.318	38%	0.378	S	S	.	.	H	α-helix	trans	-71	-36.7	179.8	-73.9	-175.6	-159.7	0	0	112	K374 E375 E376 K381 L382	K374-E378 VanDerWaalsContact CE-OE1 3.28Å; K374-E378 WeakPolarHBondContact CE-OE1 3.49Å; K374-E378 WeakPolarHBondContact O-CB 3.42Å; K374-E378 WeakPolarHBondContact O-CG 3.49Å; K374-E378 PolarHBondContact O-N 3.37Å; E375-E378 PolarHBondContact O-N 3.2Å; E376-E378 VanDerWaalsContact C-N 3.33Å; E376-E378 PolarHBondContact O-N 2.71Å; E378-K381 PolarHBondContact O-N 3.46Å; E378-L382 WeakPolarHBondContact O-CB 3.46Å; E378-L382 WeakPolarHBondContact O-CG 3.13Å; E378-L382 PolarHBondContact O-N 2.86Å
379	I	43.8	Very low	41.2	Very low	63 Å²	63	77.2 Å²	77.2	32%	0.323	37%	0.365	S	S	.	.	H	α-helix	trans	-61.1	-48.8	170.3	-69.9	163.6	0	0	0	111.3	E375 E376 K381 L382 Q383 T554 Y558	E375-I379 WeakPolarHBondContact O-CD1 3.44Å; E375-I379 VanDerWaalsContact O-CG1 3.25Å; E375-I379 WeakPolarHBondContact O-CG1 3.28Å; E375-I379 PolarHBondContact O-N 3.36Å; E376-I379 PolarHBondContact O-N 3.45Å; I379-K381 VanDerWaalsContact C-N 3.3Å; I379-K381 PolarHBondContact O-N 2.81Å; I379-L382 VanDerWaalsContact O-CB 3.28Å; I379-L382 WeakPolarHBondContact O-CB 3.37Å; I379-L382 PolarHBondContact O-N 3.1Å; I379-Q383 PolarHBondContact O-N 3.13Å; I379-T554 HydrophobicContact CD1-CG2 3.88Å; I379-T554 HydrophobicContact CG1-CG2 3.56Å; I379-Y558 HydrophobicContact CG2-CD2 4.22Å
380	Y	44.8	Very low	41.6	Very low	103 Å²	103	76.1 Å²	76.1	40%	0.404	36%	0.362	S	S	.	.	H	α-helix	trans	-66	-35.3	-178.4	-152.1	-96.7	0	0	0	112.3	E376 E377 L382 Q383 H384	E376-Y380 PolarHBondContact O-N 2.67Å; E377-Y380 PolarHBondContact O-N 3.23Å; Y380-L382 VanDerWaalsContact C-N 3.35Å; Y380-Q383 WeakPolarHBondContact O-CB 3.44Å; Y380-Q383 PolarHBondContact O-N 3.44Å; Y380-H384 PolarHBondContact O-N 2.94Å
381	K	43.9	Very low	41.7	Very low	90 Å²	90	73.8 Å²	73.8	39%	0.391	35%	0.349	S	S	.	.	H	α-helix	trans	-79.4	-15.6	177.7	-172.5	-178.3	-175.5	180	0	113.1	E377 E378 I379 K497	E377-K381 WeakPolarHBondContact O-CB 3.23Å; E377-K381 PolarHBondContact O-N 3.2Å; E378-K381 PolarHBondContact O-N 3.46Å; I379-K381 VanDerWaalsContact C-N 3.3Å; I379-K381 PolarHBondContact O-N 2.81Å; K381-K497 PolarHBondContact O-NZ 2.67Å
382	L	43.6	Very low	41.4	Very low	2 Å²	2	73.9 Å²	73.9	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-73.9	-52.9	162.5	-94.6	157.2	0	0	0	109.4	E378 I379 Y380 H384 D385 L386 Y498 V555 Y558 F559	E378-L382 WeakPolarHBondContact O-CB 3.46Å; E378-L382 WeakPolarHBondContact O-CG 3.13Å; E378-L382 PolarHBondContact O-N 2.86Å; I379-L382 VanDerWaalsContact O-CB 3.28Å; I379-L382 WeakPolarHBondContact O-CB 3.37Å; I379-L382 PolarHBondContact O-N 3.1Å; Y380-L382 VanDerWaalsContact C-N 3.35Å; L382-H384 PolarHBondContact O-N 3.43Å; L382-D385 PolarHBondContact O-N 3.24Å; L382-L386 PolarHBondContact O-N 2.99Å; L382-Y498 HydrophobicContact CD1-CE2 4.25Å; L382-Y498 HydrophobicContact CD2-CD2 3.45Å; L382-Y498 VanDerWaalsContact CD2-CD2 3.45Å; L382-Y498 HydrophobicContact CD2-CE2 3.17Å; L382-Y498 HydrophobicContact CD2-CG 4.36Å; L382-Y498 HydrophobicContact CG-CD2 4.29Å; L382-Y498 HydrophobicContact CG-CE2 3.54Å; L382-V555 HydrophobicContact CD1-CG2 4.15Å; L382-Y558 HydrophobicContact CB-CD1 3.71Å; L382-Y558 HydrophobicContact CB-CD2 4.14Å; L382-Y558 HydrophobicContact CB-CE1 3.6Å; L382-Y558 HydrophobicContact CB-CE2 4.02Å; L382-Y558 HydrophobicContact CB-CG 4.02Å; L382-Y558 HydrophobicContact CD1-CD1 3.83Å; L382-Y558 HydrophobicContact CD1-CG 3.98Å; L382-Y558 HydrophobicContact CD2-CD1 3.66Å; L382-Y558 HydrophobicContact CD2-CE1 3.75Å; L382-Y558 HydrophobicContact CG-CD1 3.94Å; L382-Y558 HydrophobicContact CG-CE1 4.16Å; L382-Y558 HydrophobicContact CG-CG 4.42Å; L382-F559 HydrophobicContact CD2-CE1 4.02Å
383	Q	41.4	Very low	41.5	Very low	69 Å²	69	73.5 Å²	73.5	32%	0.322	36%	0.356	S	S	.	.	H	α-helix	trans	-49.8	-57.6	177.8	-131.7	157.5	19.7	0	0	113.2	I379 Y380 D385 L386 Y558	I379-Q383 PolarHBondContact O-N 3.13Å; Y380-Q383 WeakPolarHBondContact O-CB 3.44Å; Y380-Q383 PolarHBondContact O-N 3.44Å; Q383-D385 VanDerWaalsContact C-N 3.32Å; Q383-D385 PolarHBondContact O-N 3.37Å; Q383-L386 PolarHBondContact O-N 3.19Å; Q383-Y558 VanDerWaalsContact CA-OH 3.25Å; Q383-Y558 WeakPolarHBondContact CA-OH 3.4Å; Q383-Y558 HydrophobicContact CB-CE2 4.1Å; Q383-Y558 HydrophobicContact CG-CE2 3.99Å; Q383-Y558 PolarHBondContact N-OH 2.93Å
384	H	45.5	Very low	41.3	Very low	51 Å²	51	76.5 Å²	76.5	24%	0.236	37%	0.365	C	S	.	.	H	α-helix	trans	-68	-24.2	-177.1	177.8	-76	0	0	0	114.5	Y380 L382 R388	Y380-H384 PolarHBondContact O-N 2.94Å; L382-H384 PolarHBondContact O-N 3.43Å; H384-R388 PolarHBondContact O-NE 2.85Å
385	D	44.3	Very low	40.9	Very low	31 Å²	31	77.5 Å²	77.5	17%	0.166	37%	0.371	C	S	.	.	H	α-helix	trans	-75.9	-38	175.1	-76.9	-17.1	0	0	0	110.4	L382 Q383 E387 R388 Y494 K497	L382-D385 PolarHBondContact O-N 3.24Å; Q383-D385 VanDerWaalsContact C-N 3.32Å; Q383-D385 PolarHBondContact O-N 3.37Å; D385-E387 PolarHBondContact O-N 3.32Å; D385-R388 PolarHBondContact O-N 3.22Å; D385-R388 IonicContact OD1-CZ 2.91Å; D385-R388 IonicContact OD1-NH2 3.4Å; D385-R388 PolarHBondContact OD1-NH2 3.23Å; D385-Y494 HydrophobicContact CB-CE1 3.93Å; D385-Y494 WeakPolarHBondContact CB-OH 3.25Å; D385-Y494 PolarHBondContact O-OH 3.43Å; D385-K497 IonicContact OD2-NZ 2.86Å; D385-K497 PolarHBondContact OD2-NZ 3.5Å
386	L	42	Very low	40.5	Very low	6 Å²	6	79.5 Å²	79.5	3%	0.031	39%	0.392	C	S	.	.	H	α-helix	trans	-65.3	-44.5	-168.2	-163.6	48.2	0	0	0	113.6	L382 Q383 R388 T389 V492 Y494 Y558 Y562	L382-L386 PolarHBondContact O-N 2.99Å; Q383-L386 PolarHBondContact O-N 3.19Å; L386-R388 PolarHBondContact O-N 3.15Å; L386-R388 VanDerWaalsContact O-N 3.14Å; L386-T389 PolarHBondContact O-N 2.83Å; L386-T389 VanDerWaalsContact O-N 3.11Å; L386-V492 HydrophobicContact CD1-CG1 3.59Å; L386-V492 HydrophobicContact CD2-CG1 4.26Å; L386-Y494 HydrophobicContact CD1-CD2 3.27Å; L386-Y494 HydrophobicContact CD1-CE2 3.16Å; L386-Y494 HydrophobicContact CD1-CG 4.17Å; L386-Y494 HydrophobicContact CG-CE2 4.4Å; L386-Y494 PolarHBondContact N-OH 3.47Å; L386-Y558 HydrophobicContact CD2-CE1 3.93Å; L386-Y558 WeakPolarHBondContact CD2-OH 3.33Å; L386-Y562 HydrophobicContact CB-CE2 4.38Å; L386-Y562 HydrophobicContact CD2-CD1 3.38Å; L386-Y562 HydrophobicContact CD2-CD2 3.49Å; L386-Y562 VanDerWaalsContact CD2-CD2 3.49Å; L386-Y562 HydrophobicContact CD2-CE1 3.55Å; L386-Y562 HydrophobicContact CD2-CE2 3.64Å; L386-Y562 HydrophobicContact CD2-CG 3.32Å; L386-Y562 HydrophobicContact CG-CD1 4.22Å; L386-Y562 HydrophobicContact CG-CD2 4.16Å; L386-Y562 HydrophobicContact CG-CE1 3.88Å; L386-Y562 HydrophobicContact CG-CE2 3.78Å; L386-Y562 HydrophobicContact CG-CG 4.34Å
387	E	45.6	Very low	40.1	Very low	102 Å²	102	79 Å²	79	48%	0.477	39%	0.387	S	S	.	.	H	α-helix	trans	-54.3	-32.7	176	-61.4	177.2	133.2	0	0	112.6	D385	D385-E387 PolarHBondContact O-N 3.32Å
388	R	44.1	Very low	39.8	Very low	135 Å²	135	82.2 Å²	82.2	51%	0.509	40%	0.399	S	S	.	.	H	α-helix	trans	-80.2	-21.7	-176.4	-61.4	-172.3	-66.4	138	0.2	113.3	H384 D385 L386	H384-R388 PolarHBondContact O-NE 2.85Å; D385-R388 PolarHBondContact O-N 3.22Å; D385-R388 IonicContact OD1-CZ 2.91Å; D385-R388 IonicContact OD1-NH2 3.4Å; D385-R388 PolarHBondContact OD1-NH2 3.23Å; L386-R388 PolarHBondContact O-N 3.15Å; L386-R388 VanDerWaalsContact O-N 3.14Å
389	T	40.7	Very low	39.1	Very low	42 Å²	42	87.4 Å²	87.4	26%	0.258	43%	0.426	S	S	.	.	H	α-helix	trans	-79.2	-35.3	-179.1	-61.7	0	0	0	0	111.8	L386 I391 S392 Y494	L386-T389 PolarHBondContact O-N 2.83Å; L386-T389 VanDerWaalsContact O-N 3.11Å; T389-I391 VanDerWaalsContact C-N 3.28Å; T389-I391 PolarHBondContact O-N 2.96Å; T389-S392 WeakPolarHBondContact O-CB 3.1Å; T389-S392 PolarHBondContact O-N 3.12Å; T389-S392 VanDerWaalsContact O-N 3.15Å; T389-Y494 HydrophobicContact CG2-CE2 4.22Å; T389-Y494 PolarHBondContact OG1-OH 2.93Å
390	V	40.3	Very low	38.6	Very low	60 Å²	60	90.4 Å²	90.4	36%	0.364	45%	0.453	S	S	.	.	H	α-helix	trans	-58.2	-39.6	174.7	-178.7	0	0	0	0	111.7	S392 Q393	V390-S392 PolarHBondContact O-N 3.4Å; V390-Q393 PolarHBondContact O-N 3.26Å
391	I	38.7	Very low	38	Very low	50 Å²	50	93.9 Å²	93.9	26%	0.256	47%	0.472	S	S	.	.	H	α-helix	trans	-60.7	-32.6	-179.6	-62.3	172.6	0	0	0	111.6	T267 T389 Q393 Q394	T267-I391 HydrophobicContact CG2-CD1 4.3Å; T267-I391 HydrophobicContact CG2-CG1 4.09Å; T389-I391 VanDerWaalsContact C-N 3.28Å; T389-I391 PolarHBondContact O-N 2.96Å; I391-Q393 VanDerWaalsContact C-N 3.33Å; I391-Q393 PolarHBondContact O-N 3.12Å; I391-Q394 PolarHBondContact O-N 3.47Å
392	S	32.8	Very low	37.3	Very low	89 Å²	89	98.2 Å²	98.2	62%	0.622	50%	0.5	S	S	*	.	H	α-helix	trans	-68.4	-28.8	-178.5	-166.9	0	0	0	0	113.6	T389 V390	T389-S392 WeakPolarHBondContact O-CB 3.1Å; T389-S392 PolarHBondContact O-N 3.12Å; T389-S392 VanDerWaalsContact O-N 3.15Å; V390-S392 PolarHBondContact O-N 3.4Å
393	Q	35.3	Very low	36.6	Very low	90 Å²	90	101.9 Å²	101.9	42%	0.421	54%	0.538	S	S	.	.	H	α-helix	trans	-84.4	-17.6	-179.4	-69.2	-170.1	-68	0	0	113.4	V390 I391 S396	V390-Q393 PolarHBondContact O-N 3.26Å; I391-Q393 VanDerWaalsContact C-N 3.33Å; I391-Q393 PolarHBondContact O-N 3.12Å; Q393-S396 PolarHBondContact O-OG 3.4Å
394	Q	34.3	Very low	36	Very low	130 Å²	130	104.4 Å²	104.4	61%	0.607	56%	0.564	S	S	*	*	H	α-helix	trans	-88.9	-17.9	178.1	-66.4	-170.1	-4.9	0	0	113.9	I391	I391-Q394 PolarHBondContact O-N 3.47Å
395	Q	31.4	Very low	35.2	Very low	142 Å²	142	110.1 Å²	110.1	66%	0.664	60%	0.595	S	S	*	*	S	Bend	trans	-79.3	-20.5	-176.8	-71.5	-174.1	4.5	0	0	114.4	K397	Q395-K397 VanDerWaalsContact C-N 3.31Å; Q395-K397 PolarHBondContact O-N 3.45Å
396	S	31.7	Very low	34.3	Very low	97 Å²	97	116.7 Å²	116.7	68%	0.678	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-67.4	-30.3	174.3	53.5	0	0	0	0	113	Q393 K398	Q393-S396 PolarHBondContact O-OG 3.4Å; S396-K398 PolarHBondContact O-N 2.99Å; S396-K398 VanDerWaalsContact O-N 3.15Å
397	K	33.8	Very low	33.8	Very low	121 Å²	121	121.8 Å²	121.8	53%	0.526	66%	0.663	S	S	.	*	G	3₁₀ helix	trans	-82.7	17.9	-171.9	-144.3	174.9	-173.1	178.3	0	114.4	Q395 H611	Q395-K397 VanDerWaalsContact C-N 3.31Å; Q395-K397 PolarHBondContact O-N 3.45Å; K397-H611 PolarHBondContact NZ-O 3.08Å
398	K	33.3	Very low	33.7	Very low	185 Å²	185	123 Å²	123	80%	0.804	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-136.2	19.9	-170	-111.2	171.5	-177.8	161.4	0	116.5	S396	S396-K398 PolarHBondContact O-N 2.99Å; S396-K398 VanDerWaalsContact O-N 3.15Å
399	M	29.9	Very low	32.8	Very low	177 Å²	177	122.4 Å²	122.4	87%	0.872	70%	0.696	S	S	*	*	S	Bend	trans	-113.6	7.2	178.7	-129.3	174.6	72.7	0	0	115.1
400	S	32.5	Very low	32.2	Very low	127 Å²	127	125.6 Å²	125.6	89%	0.888	73%	0.727	S	S	*	*	S	Bend	trans	-131.7	40.2	179.4	-60.2	0	0	0	0	113.1
401	E	32.9	Very low	31.6	Very low	175 Å²	175	126.5 Å²	126.5	82%	0.818	75%	0.748	S	S	*	*			trans	-153.9	88.8	175.1	-139	173.2	-132.2	0	0	111.5
402	N	29.5	Very low	30.9	Very low	182 Å²	182	129.8 Å²	129.8	97%	0.973	78%	0.775	S	S	*	*			trans	175.8	92.6	153.6	-99.1	-62.7	0	0	0	110.1
403	G	28.7	Very low	31	Very low	78 Å²	78	130.9 Å²	130.9	80%	0.804	78%	0.78	S	S	*	*			trans	-138.9	116.3	167.4	0	0	0	0	0	108.7
404	S	29.8	Very low	30.7	Very low	123 Å²	123	132.4 Å²	132.4	86%	0.86	80%	0.796	S	S	*	*			trans	-90.5	146.9	-168.5	51.8	0	0	0	0	113.9
405	L	28.4	Very low	30.2	Very low	170 Å²	170	131 Å²	131	89%	0.89	81%	0.806	S	S	*	*			trans	-68.7	147.1	-175.1	-62.1	135.6	0	0	0	114.7
406	L	24.7	Very low	30	Very low	170 Å²	170	132.2 Å²	132.2	89%	0.89	82%	0.816	S	S	*	*			trans	-152.2	159.4	137.6	-91.7	-179.7	0	0	0	108.8
407	P	32.1	Very low	29.7	Very low	113 Å²	113	132.3 Å²	132.3	73%	0.734	82%	0.823	S	S	*	*			trans	-113.2	-157.7	-156.6	49.2	-39.9	0	0	0	112.6
408	P	43.5	Very low	29.2	Very low	128 Å²	128	133 Å²	133	83%	0.831	84%	0.837	S	S	*	*				-119.8	164.2	-120.2	26.2	-2.3	0	0	0	116
409	S	25.3	Very low	28.9	Very low	122 Å²	122	133.2 Å²	133.2	85%	0.853	84%	0.841	S	S	*	*			trans	-142.3	137.8	167.5	59.4	0	0	0	0	111.1
410	A	28.3	Very low	28.7	Very low	109 Å²	109	129.9 Å²	129.9	90%	0.901	84%	0.836	S	S	*	*			trans	-88.2	154.8	-174.5	0	0	0	0	0	113.7
411	G	27.1	Very low	28.6	Very low	79 Å²	79	133.5 Å²	133.5	81%	0.814	84%	0.838	S	S	*	*			trans	171.8	100.3	174	0	0	0	0	0	113.8
412	S	23.1	Very low	28.2	Very low	118 Å²	118	130 Å²	130	83%	0.825	83%	0.833	S	S	*	*			trans	-82.5	176.7	169.7	-50.4	0	0	0	0	110.7
413	P	35.3	Very low	28.1	Very low	112 Å²	112	127 Å²	127	73%	0.727	82%	0.824	S	S	*	*			cis	-138.4	163.4	5.1	41.8	-23.9	0	0	0	118
414	V	29	Very low	28.2	Very low	123 Å²	123	128 Å²	128	75%	0.745	82%	0.824	S	S	*	*			trans	24.9	126.5	137.1	-172.7	0	0	0	0	120.3	L416	V414-L416 HydrophobicContact CG1-CD1 3.71Å
415	A	24.5	Very low	28.1	Very low	100 Å²	100	128.6 Å²	128.6	83%	0.826	82%	0.823	S	S	*	*			trans	-136.9	138	140.8	0	0	0	0	0	109.3
416	L	26.9	Very low	28.7	Very low	167 Å²	167	128.2 Å²	128.2	87%	0.874	82%	0.816	S	S	*	*			trans	-85.4	141.3	175.5	-80.2	77.2	0	0	0	110.4	V414	V414-L416 HydrophobicContact CG1-CD1 3.71Å
417	A	24.5	Very low	29.6	Very low	99 Å²	99	124.8 Å²	124.8	82%	0.818	80%	0.799	S	S	*	*			trans	-136.6	118.4	163.2	0	0	0	0	0	109.6
418	T	24.1	Very low	30.8	Very low	136 Å²	136	124.9 Å²	124.9	83%	0.834	80%	0.797	S	S	*	*			trans	-40.9	144	-174.7	-19.9	0	0	0	0	116.3	S420	T418-S420 PolarHBondContact O-N 3.22Å
419	E	26.9	Very low	32.2	Very low	189 Å²	189	119.2 Å²	119.2	88%	0.883	76%	0.76	S	S	*	*			trans	-56.9	134.1	163.6	-64.1	-176.9	123.6	0	0	110.8
420	S	25.4	Very low	34.4	Very low	108 Å²	108	122.2 Å²	122.2	76%	0.755	75%	0.753	S	S	*	*			trans	-135.7	119	160.5	46.9	0	0	0	0	108.1	T418 S422	T418-S420 PolarHBondContact O-N 3.22Å; S420-S422 PolarHBondContact O-N 2.93Å; S420-S422 VanDerWaalsContact O-N 3.13Å
421	Q	30.6	Very low	36.4	Very low	203 Å²	203	119.7 Å²	119.7	95%	0.949	72%	0.724	S	S	*	*			trans	-69.8	111.8	-174.8	-67.7	179.5	-2	0	0	109.7
422	S	23.6	Very low	38.2	Very low	100 Å²	100	120.7 Å²	120.7	70%	0.699	71%	0.709	S	S	*	*			trans	-108.2	145.6	162.9	44.3	0	0	0	0	108.4	S420 A424	S420-S422 PolarHBondContact O-N 2.93Å; S420-S422 VanDerWaalsContact O-N 3.13Å; S422-A424 PolarHBondContact O-N 2.92Å
423	P	29.1	Very low	40.7	Very low	120 Å²	120	117.7 Å²	117.7	78%	0.779	69%	0.686	S	S	*	*			trans	-63.9	140.1	-171.2	25.9	-34.6	0	0	0	110.8	T425	P423-T425 PolarHBondContact O-N 3.42Å
424	A	29	Very low	42.8	Very low	98 Å²	98	117 Å²	117	81%	0.81	67%	0.669	S	S	*	*			trans	-54.2	116.1	178	0	0	0	0	0	110	S422 Q426	S422-A424 PolarHBondContact O-N 2.92Å; A424-Q426 PolarHBondContact O-N 3.01Å
425	T	29.5	Very low	45	Very low	136 Å²	136	112 Å²	112	83%	0.834	64%	0.642	S	S	*	*			trans	-59.2	110	175.3	47.8	0	0	0	0	108.3	P423 D427	P423-T425 PolarHBondContact O-N 3.42Å; T425-D427 PolarHBondContact O-N 2.94Å; T425-D427 VanDerWaalsContact O-N 3.14Å
426	Q	40	Very low	47.6	Very low	162 Å²	162	108.5 Å²	108.5	76%	0.757	61%	0.612	S	S	*	*			trans	-54.9	123.1	169	-77.8	-175.7	-26.8	0	0	107.7	A424 T428	A424-Q426 PolarHBondContact O-N 3.01Å; Q426-T428 VanDerWaalsContact C-N 3.3Å; Q426-T428 PolarHBondContact O-N 3.27Å; Q426-T428 PolarHBondContact O-OG1 3.38Å
427	D	44.3	Very low	49.9	Very low	99 Å²	99	100.8 Å²	100.8	53%	0.529	57%	0.571	S	S	.	*			trans	-71.2	88.6	-178.1	-170.5	11.6	0	0	0	108.2	T425 I429 R594	T425-D427 PolarHBondContact O-N 2.94Å; T425-D427 VanDerWaalsContact O-N 3.14Å; D427-I429 PolarHBondContact O-N 3.03Å; D427-R594 IonicContact OD1-CZ 3.68Å; D427-R594 IonicContact OD1-NH1 2.65Å; D427-R594 IonicContact OD1-NH2 2.62Å; D427-R594 PolarHBondContact OD1-NH2 2.83Å; D427-R594 IonicContact OD2-CZ 3.75Å; D427-R594 VanDerWaalsContact OD2-CZ 3.24Å; D427-R594 IonicContact OD2-NH1 2.77Å; D427-R594 PolarHBondContact OD2-NH1 2.88Å; D427-R594 IonicContact OD2-NH2 2.75Å; D427-R594 PolarHBondContact OD2-NH2 2.88Å
428	T	56.7	Low	51.5	Low	114 Å²	114	97.4 Å²	97.4	70%	0.699	55%	0.546	S	S	*	.			trans	-60.6	103.6	-162.5	-53	0	0	0	0	111.4	Q426 R430	Q426-T428 VanDerWaalsContact C-N 3.3Å; Q426-T428 PolarHBondContact O-N 3.27Å; Q426-T428 PolarHBondContact O-OG1 3.38Å; T428-R430 PolarHBondContact O-N 3.47Å; T428-R430 VanDerWaalsContact O-N 3.1Å
429	I	72.3	Confident	53	Low	10 Å²	10	93.4 Å²	93.4	5%	0.051	52%	0.524	C	S	.	.			trans	-59.8	117	179.5	-60.7	-177.3	0	0	0	108.9	D427 L431 Y659 N662 M663 Q666	D427-I429 PolarHBondContact O-N 3.03Å; I429-L431 HydrophobicContact CG2-CD2 4.15Å; I429-L431 PolarHBondContact O-N 3.39Å; I429-L431 VanDerWaalsContact O-N 3.11Å; I429-Y659 HydrophobicContact CD1-CD2 4.03Å; I429-Y659 HydrophobicContact CD1-CE1 4.37Å; I429-Y659 HydrophobicContact CD1-CE2 3.71Å; I429-Y659 HydrophobicContact CD1-CG 4.48Å; I429-Y659 HydrophobicContact CG1-CD2 4.37Å; I429-Y659 HydrophobicContact CG1-CE2 3.7Å; I429-N662 HydrophobicContact CD1-CB 3.57Å; I429-M663 HydrophobicContact CD1-CG 3.89Å; I429-M663 HydrophobicContact CG2-CG 4.39Å; I429-Q666 PolarHBondContact O-OE1 2.96Å
430	R	71.3	Confident	53.6	Low	185 Å²	185	89.6 Å²	89.6	70%	0.698	52%	0.517	S	S	*	.			trans	-85.7	90.5	-178.3	-172	177.7	-179.6	178.5	1	109.5	T428 I432 S592 D593	T428-R430 PolarHBondContact O-N 3.47Å; T428-R430 VanDerWaalsContact O-N 3.1Å; R430-I432 WeakPolarHBondContact O-CG1 3.27Å; R430-S592 WeakPolarHBondContact O-CA 3.12Å; R430-D593 PolarHBondContact O-N 2.89Å
431	L	71.8	Confident	54.2	Low	56 Å²	56	90.1 Å²	90.1	29%	0.293	52%	0.52	S	S	.	.			trans	-58.7	139.3	170.5	-60.8	-176.7	0	0	0	110.6	I429 L590	I429-L431 HydrophobicContact CG2-CD2 4.15Å; I429-L431 PolarHBondContact O-N 3.39Å; I429-L431 VanDerWaalsContact O-N 3.11Å; L431-L590 HydrophobicContact CD1-CD2 4.04Å; L431-L590 HydrophobicContact CD2-CD2 3.84Å
432	I	64.4	Low	54.3	Low	99 Å²	99	85.2 Å²	85.2	51%	0.508	51%	0.509	S	S	.	.			trans	-116.8	-49.4	-174.7	-52.6	-172.1	0	0	0	110.8	R430 K591 S592 D593	R430-I432 WeakPolarHBondContact O-CG1 3.27Å; I432-K591 HydrophobicContact CB-CG 4.44Å; I432-K591 PolarHBondContact N-O 3.08Å; I432-S592 WeakPolarHBondContact CD1-O 3.11Å; I432-D593 HydrophobicContact CD1-CB 4.49Å
433	V	75.3	Confident	54.6	Low	55 Å²	55	86.1 Å²	86.1	33%	0.333	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	150.4	173.2	-169.4	0	0	0	0	109.2	W589 K591	V433-W589 HydrophobicContact CB-CH2 3.81Å; V433-W589 HydrophobicContact CB-CZ3 4.14Å; V433-W589 HydrophobicContact CG1-CH2 3.5Å; V433-W589 HydrophobicContact CG1-CZ2 4.15Å; V433-W589 HydrophobicContact CG1-CZ3 4.31Å; V433-K591 PolarHBondContact O-N 2.81Å
434	R	79.5	Confident	55	Low	98 Å²	98	85.9 Å²	85.9	37%	0.37	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	157	166.1	74.8	178.6	176.1	-144.4	-9.7	110.7	W589 L590 R667 S669	R434-W589 WeakPolarHBondContact CA-O 3.46Å; R434-L590 HydrophobicContact CB-CD2 3.52Å; R434-L590 HydrophobicContact CB-CG 3.98Å; R434-R667 PolarHBondContact NH1-O 2.8Å; R434-S669 PolarHBondContact NH1-OXT 3.44Å
435	G	74.8	Confident	55.4	Low	18 Å²	18	89.7 Å²	89.7	19%	0.186	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	143.4	169.8	0	0	0	0	0	111.5	Q588 W589	G435-Q588 WeakPolarHBondContact O-CA 3.34Å; G435-W589 PolarHBondContact N-O 3.37Å; G435-W589 VanDerWaalsContact N-O 3.1Å; G435-W589 PolarHBondContact O-N 3.06Å
436	S	79.4	Confident	55.8	Low	27 Å²	27	87.3 Å²	87.3	19%	0.189	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	151	-174.9	-52	0	0	0	0	111.2	L587 Q588	S436-L587 CarbonylContact C-O 3.56Å; S436-L587 WeakPolarHBondContact CA-O 3.06Å; S436-Q588 WeakPolarHBondContact OG-CG 3.36Å; S436-Q588 PolarHBondContact OG-NE2 3.27Å; S436-Q588 VanDerWaalsContact OG-NE2 3.09Å
437	L	74.7	Confident	55.9	Low	4 Å²	4	87.7 Å²	87.7	2%	0.021	51%	0.511	C	S	.	.	S	Bend	trans	-60.6	151.9	163.8	-157.7	78.2	0	0	0	109.9	S439 L512 G516 H518 L534 Y585 L587	L437-S439 PolarHBondContact O-N 3.29Å; L437-S439 VanDerWaalsContact O-N 3.07Å; L437-L512 HydrophobicContact CB-CD1 4.04Å; L437-L512 HydrophobicContact CD1-CD1 3.52Å; L437-L512 HydrophobicContact CG-CD1 4.4Å; L437-G516 CarbonylContact C-O 3.59Å; L437-G516 VanDerWaalsContact CA-O 3.31Å; L437-G516 WeakPolarHBondContact CA-O 3.41Å; L437-G516 VanDerWaalsContact CD1-O 3.23Å; L437-G516 WeakPolarHBondContact CD1-O 3.44Å; L437-G516 WeakPolarHBondContact CG-O 3.21Å; L437-H518 HydrophobicContact CD1-CB 3.51Å; L437-L534 HydrophobicContact CD2-CG 4.18Å; L437-Y585 HydrophobicContact CD2-CD2 4.43Å; L437-Y585 HydrophobicContact CD2-CE2 4.01Å; L437-L587 HydrophobicContact CD2-CD2 4.21Å; L437-L587 PolarHBondContact N-O 3.04Å
438	G	57.7	Low	56.2	Low	28 Å²	28	86.1 Å²	86.1	29%	0.289	50%	0.501	S	S	.	.	S	Bend	trans	76.9	-25.9	178.4	0	0	0	0	0	116.7	C440 G516	G438-C440 PolarHBondContact O-N 3.09Å; G438-G516 PolarHBondContact N-O 2.84Å
439	S	57.3	Low	56.2	Low	52 Å²	52	84.7 Å²	84.7	36%	0.364	49%	0.489	S	S	.	.			trans	-74.6	96	-165.6	-161.7	0	0	0	0	115	L437	L437-S439 PolarHBondContact O-N 3.29Å; L437-S439 VanDerWaalsContact O-N 3.07Å
440	C	38.2	Very low	55.7	Low	110 Å²	110	91.2 Å²	91.2	74%	0.743	52%	0.524	S	S	*	.			trans	-74.9	124.1	173.1	-73.5	0	0	0	0	112.3	G438 S442	G438-C440 PolarHBondContact O-N 3.09Å; C440-S442 PolarHBondContact O-N 3.11Å; C440-S442 VanDerWaalsContact O-N 3.15Å
441	S	37.7	Very low	55.6	Low	118 Å²	118	86.1 Å²	86.1	83%	0.825	51%	0.513	S	S	*	.			trans	-83.4	88.1	-171.9	-70.1	0	0	0	0	114.6
442	S	33.4	Very low	55.8	Low	101 Å²	101	83.7 Å²	83.7	71%	0.706	50%	0.501	S	S	*	.			trans	-152	130.6	157.8	66	0	0	0	0	113.8	C440	C440-S442 PolarHBondContact O-N 3.11Å; C440-S442 VanDerWaalsContact O-N 3.15Å
443	S	31	Very low	56.3	Low	119 Å²	119	79.3 Å²	79.3	83%	0.832	48%	0.48	S	S	*	.	S	Bend	trans	71.2	166.1	179.6	82.8	0	0	0	0	116.4	E445	S443-E445 PolarHBondContact O-N 3.22Å
444	S	37.2	Very low	56.5	Low	114 Å²	114	79.8 Å²	79.8	80%	0.797	49%	0.486	S	S	*	.	S	Bend	trans	-103.9	65.2	-162.1	177.7	0	0	0	0	112.6
445	E	37.5	Very low	56.7	Low	179 Å²	179	76.4 Å²	76.4	84%	0.836	48%	0.476	S	S	*	.			trans	-160.9	97.6	161.8	-112	156.4	-135.4	0	0	108.3	S443 L447	S443-E445 PolarHBondContact O-N 3.22Å; E445-L447 PolarHBondContact O-N 2.78Å
446	C	37.7	Very low	57.2	Low	85 Å²	85	75.6 Å²	75.6	57%	0.574	47%	0.468	S	S	*	.			trans	-84.1	91.5	178.9	-62.2	0	0	0	0	109.2	E448	C446-E448 PolarHBondContact O-N 3.4Å
447	L	41.3	Very low	57.5	Low	170 Å²	170	80.5 Å²	80.5	89%	0.89	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-61.9	129.6	158.7	-66.9	173.1	0	0	0	107.9	E445	E445-L447 PolarHBondContact O-N 2.78Å
448	E	50.9	Low	58.1	Low	66 Å²	66	83.4 Å²	83.4	31%	0.308	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-81.5	140	175	-61.9	-162.5	149.8	0	0	110.7	C446 N450 R667	C446-E448 PolarHBondContact O-N 3.4Å; E448-N450 PolarHBondContact O-N 3.39Å; E448-R667 IonicContact OE1-CZ 2.65Å; E448-R667 VanDerWaalsContact OE1-CZ 3.31Å; E448-R667 IonicContact OE1-NH1 2.82Å; E448-R667 PolarHBondContact OE1-NH1 2.97Å; E448-R667 IonicContact OE1-NH2 2.97Å; E448-R667 IonicContact OE2-CZ 3.75Å; E448-R667 IonicContact OE2-NH1 3.85Å; E448-R667 PolarHBondContact OE2-NH1 3.3Å; E448-R667 IonicContact OE2-NH2 2.78Å; E448-R667 PolarHBondContact OE2-NH2 3.24Å
449	D	56.9	Low	59.5	Low	84 Å²	84	82.1 Å²	82.1	45%	0.449	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-64.5	126.2	171.4	-71.9	-53.1	0	0	0	110.6	T451 T452 G453	D449-T451 PolarHBondContact O-N 3.18Å; D449-T452 PolarHBondContact O-N 2.88Å; D449-G453 PolarHBondContact O-N 3.39Å; D449-G453 VanDerWaalsContact O-N 3.12Å
450	N	62	Low	61	Low	148 Å²	148	80.1 Å²	80.1	79%	0.791	48%	0.479	S	S	*	.	H	α-helix	trans	-46.6	-36.6	-170	-72.3	-21.8	0	0	0	114.5	E448 S454	E448-N450 PolarHBondContact O-N 3.39Å; N450-S454 VanDerWaalsContact O-CB 3.22Å; N450-S454 WeakPolarHBondContact O-CB 3.27Å; N450-S454 PolarHBondContact O-N 3.29Å
451	T	68.2	Low	63.4	Low	77 Å²	77	78.7 Å²	78.7	47%	0.472	47%	0.47	S	S	.	.	H	α-helix	trans	-72.9	-43.2	-178.7	-45.3	0	0	0	0	112.6	D449 G453 S454 V455 L534	D449-T451 PolarHBondContact O-N 3.18Å; T451-G453 VanDerWaalsContact C-N 3.32Å; T451-S454 PolarHBondContact O-N 3.35Å; T451-V455 VanDerWaalsContact O-CG2 3.3Å; T451-V455 WeakPolarHBondContact O-CG2 3.46Å; T451-V455 PolarHBondContact O-N 2.81Å; T451-L534 HydrophobicContact CG2-CD2 3.95Å
452	T	76.5	Confident	65.8	Low	6 Å²	6	74.5 Å²	74.5	4%	0.037	44%	0.439	C	S	.	.	H	α-helix	trans	-68.1	-36.5	176.9	-57.4	0	0	0	0	110.9	D449 A456 L587 Q588	D449-T452 PolarHBondContact O-N 2.88Å; T452-A456 WeakPolarHBondContact O-CB 3.31Å; T452-A456 PolarHBondContact O-N 3.43Å; T452-A456 VanDerWaalsContact O-N 3.15Å; T452-L587 HydrophobicContact CG2-CB 4.15Å; T452-L587 HydrophobicContact CG2-CD1 4.4Å; T452-Q588 HydrophobicContact CG2-CB 4.24Å
453	G	76	Confident	68.5	Low	7 Å²	7	69.8 Å²	69.8	7%	0.072	41%	0.406	C	S	.	.	H	α-helix	trans	-57	-58.1	168.6	0	0	0	0	0	112	D449 T451 V455 A456 E457	D449-G453 PolarHBondContact O-N 3.39Å; D449-G453 VanDerWaalsContact O-N 3.12Å; T451-G453 VanDerWaalsContact C-N 3.32Å; G453-V455 PolarHBondContact O-N 2.81Å; G453-A456 PolarHBondContact O-N 2.64Å; G453-A456 VanDerWaalsContact O-N 3.1Å; G453-E457 WeakPolarHBondContact O-CG 3.38Å; G453-E457 PolarHBondContact O-N 2.64Å
454	S	78.8	Confident	71.3	Confident	64 Å²	64	68.7 Å²	68.7	45%	0.448	38%	0.384	S	S	.	.	H	α-helix	trans	-58.3	-39.5	-177.6	178.5	0	0	0	0	114.2	N450 T451 T458	N450-S454 VanDerWaalsContact O-CB 3.22Å; N450-S454 WeakPolarHBondContact O-CB 3.27Å; N450-S454 PolarHBondContact O-N 3.29Å; T451-S454 PolarHBondContact O-N 3.35Å; S454-T458 WeakPolarHBondContact O-CB 3.26Å; S454-T458 PolarHBondContact O-N 3.25Å; S454-T458 PolarHBondContact O-OG1 2.95Å
455	V	84.1	Confident	73.7	Confident	27 Å²	27	64.5 Å²	64.5	16%	0.164	36%	0.358	C	S	.	.	H	α-helix	trans	-64.6	-46.6	175.1	171.8	0	0	0	0	110.6	T451 G453 T458 V459 L599	T451-V455 VanDerWaalsContact O-CG2 3.3Å; T451-V455 WeakPolarHBondContact O-CG2 3.46Å; T451-V455 PolarHBondContact O-N 2.81Å; G453-V455 PolarHBondContact O-N 2.81Å; V455-T458 PolarHBondContact O-N 2.95Å; V455-V459 WeakPolarHBondContact O-CG2 3.42Å; V455-V459 PolarHBondContact O-N 3.03Å; V455-V459 VanDerWaalsContact O-N 3.09Å; V455-L599 HydrophobicContact CG1-CD1 4.18Å; V455-L599 HydrophobicContact CG1-CD2 4.31Å; V455-L599 HydrophobicContact CG1-CG 4.32Å
456	A	85.6	Confident	76.1	Confident	2 Å²	2	56.1 Å²	56.1	2%	0.017	32%	0.319	C	S	.	.	H	α-helix	trans	-66	-38.7	178.4	0	0	0	0	0	112.9	T452 G453 V459 A460 L599 L664	T452-A456 WeakPolarHBondContact O-CB 3.31Å; T452-A456 PolarHBondContact O-N 3.43Å; T452-A456 VanDerWaalsContact O-N 3.15Å; G453-A456 PolarHBondContact O-N 2.64Å; G453-A456 VanDerWaalsContact O-N 3.1Å; A456-V459 PolarHBondContact O-N 2.8Å; A456-A460 VanDerWaalsContact O-CB 3.24Å; A456-A460 WeakPolarHBondContact O-CB 3.46Å; A456-A460 PolarHBondContact O-N 2.95Å; A456-L599 HydrophobicContact CB-CD2 3.62Å; A456-L664 HydrophobicContact CB-CD2 4.32Å
457	E	84.9	Confident	78.6	Confident	130 Å²	130	52.8 Å²	52.8	61%	0.607	30%	0.296	S	S	*	.	H	α-helix	trans	-63.4	-40.8	175.1	-75.2	179.4	167.2	0	0	111.9	G453 A460 S461	G453-E457 WeakPolarHBondContact O-CG 3.38Å; G453-E457 PolarHBondContact O-N 2.64Å; E457-A460 PolarHBondContact O-N 3.11Å; E457-S461 VanDerWaalsContact O-CB 3.22Å; E457-S461 WeakPolarHBondContact O-CB 3.28Å; E457-S461 PolarHBondContact O-N 2.89Å
458	T	86.7	Confident	80.9	Confident	65 Å²	65	50.7 Å²	50.7	40%	0.399	28%	0.281	S	S	.	.	H	α-helix	trans	-63.1	-48.7	176.5	-62.3	0	0	0	0	110.6	S454 V455 A460 S461 V462	S454-T458 WeakPolarHBondContact O-CB 3.26Å; S454-T458 PolarHBondContact O-N 3.25Å; S454-T458 PolarHBondContact O-OG1 2.95Å; V455-T458 PolarHBondContact O-N 2.95Å; T458-A460 PolarHBondContact O-N 3.48Å; T458-S461 PolarHBondContact O-N 2.95Å; T458-V462 WeakPolarHBondContact O-CB 3.32Å; T458-V462 VanDerWaalsContact O-CG2 3.28Å; T458-V462 WeakPolarHBondContact O-CG2 3.31Å; T458-V462 PolarHBondContact O-N 3.17Å
459	V	88.3	Confident	82.6	Confident	1 Å²	1	53 Å²	53	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-43.5	175.9	174.9	0	0	0	0	111.5	V455 A456 V462 L463 L599 G603 F605 L618 L664	V455-V459 WeakPolarHBondContact O-CG2 3.42Å; V455-V459 PolarHBondContact O-N 3.03Å; V455-V459 VanDerWaalsContact O-N 3.09Å; A456-V459 PolarHBondContact O-N 2.8Å; V459-V462 PolarHBondContact O-N 3.16Å; V459-L463 HydrophobicContact CG1-CD1 4.06Å; V459-L463 WeakPolarHBondContact O-CB 3.4Å; V459-L463 PolarHBondContact O-N 2.79Å; V459-L599 HydrophobicContact CG2-CD1 4.13Å; V459-G603 VanDerWaalsContact CG2-O 3.31Å; V459-G603 WeakPolarHBondContact CG2-O 3.28Å; V459-F605 HydrophobicContact CG1-CB 3.67Å; V459-F605 HydrophobicContact CG1-CD1 4Å; V459-F605 HydrophobicContact CG1-CD2 4.16Å; V459-F605 HydrophobicContact CG1-CG 3.68Å; V459-F605 HydrophobicContact CG2-CB 4.5Å; V459-L618 HydrophobicContact CG1-CD2 4.28Å; V459-L664 HydrophobicContact CB-CD1 4.45Å; V459-L664 HydrophobicContact CG1-CD1 3.66Å
460	A	89.1	Confident	84	Confident	9 Å²	9	49.2 Å²	49.2	7%	0.074	28%	0.276	C	S	.	.	H	α-helix	trans	-66.1	-38.4	178.4	0	0	0	0	0	112.4	A456 E457 T458 R464 L661 L664 L665	A456-A460 VanDerWaalsContact O-CB 3.24Å; A456-A460 WeakPolarHBondContact O-CB 3.46Å; A456-A460 PolarHBondContact O-N 2.95Å; E457-A460 PolarHBondContact O-N 3.11Å; T458-A460 PolarHBondContact O-N 3.48Å; A460-R464 WeakPolarHBondContact O-CB 3.38Å; A460-R464 PolarHBondContact O-N 3.28Å; A460-L661 HydrophobicContact CB-CD1 3.97Å; A460-L661 WeakPolarHBondContact O-CD1 3.13Å; A460-L664 HydrophobicContact CB-CB 4.22Å; A460-L664 HydrophobicContact CB-CD1 4.38Å; A460-L665 HydrophobicContact CB-CD2 4.23Å
461	S	87.3	Confident	85.1	Confident	80 Å²	80	44.7 Å²	44.7	56%	0.559	25%	0.254	S	S	*	.	H	α-helix	trans	-63.7	-45.3	174.9	-173.8	0	0	0	0	111.5	E457 T458 R464 G465	E457-S461 VanDerWaalsContact O-CB 3.22Å; E457-S461 WeakPolarHBondContact O-CB 3.28Å; E457-S461 PolarHBondContact O-N 2.89Å; T458-S461 PolarHBondContact O-N 2.95Å; S461-R464 PolarHBondContact O-N 3.16Å; S461-G465 PolarHBondContact O-N 2.61Å
462	V	88.6	Confident	85.7	Confident	31 Å²	31	50.9 Å²	50.9	19%	0.188	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-45.6	177.3	169.4	0	0	0	0	111.8	T458 V459 C466 L618 Y625 L641	T458-V462 WeakPolarHBondContact O-CB 3.32Å; T458-V462 VanDerWaalsContact O-CG2 3.28Å; T458-V462 WeakPolarHBondContact O-CG2 3.31Å; T458-V462 PolarHBondContact O-N 3.17Å; V459-V462 PolarHBondContact O-N 3.16Å; V462-C466 WeakPolarHBondContact O-CB 3.37Å; V462-C466 PolarHBondContact O-N 3.11Å; V462-L618 HydrophobicContact CG1-CD2 4.35Å; V462-Y625 HydrophobicContact CG1-CD1 3.91Å; V462-Y625 HydrophobicContact CG1-CD2 3.92Å; V462-Y625 HydrophobicContact CG1-CE1 4.14Å; V462-Y625 HydrophobicContact CG1-CE2 4.17Å; V462-Y625 HydrophobicContact CG1-CG 3.78Å; V462-Y625 HydrophobicContact CG2-CD2 4.28Å; V462-Y625 HydrophobicContact CG2-CE1 4.3Å; V462-Y625 HydrophobicContact CG2-CE2 3.74Å; V462-L641 HydrophobicContact CG1-CD2 3.35Å
463	L	89.2	Confident	85.7	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-41.2	175.8	-79.8	170.3	0	0	0	112.5	V459 C466 L467 F605 L618 L657 L661 L664	V459-L463 HydrophobicContact CG1-CD1 4.06Å; V459-L463 WeakPolarHBondContact O-CB 3.4Å; V459-L463 PolarHBondContact O-N 2.79Å; L463-C466 PolarHBondContact O-N 3.09Å; L463-L467 WeakPolarHBondContact O-CB 3.42Å; L463-L467 WeakPolarHBondContact O-CG 3.49Å; L463-L467 PolarHBondContact O-N 2.72Å; L463-F605 HydrophobicContact CD1-CD1 3.98Å; L463-F605 HydrophobicContact CD1-CE1 3.66Å; L463-F605 HydrophobicContact CD1-CZ 4.38Å; L463-L618 HydrophobicContact CD1-CD2 4.27Å; L463-L618 HydrophobicContact CD2-CD2 3.85Å; L463-L618 HydrophobicContact CG-CD2 3.73Å; L463-L657 HydrophobicContact CD2-CD2 3.72Å; L463-L661 HydrophobicContact CB-CB 4.49Å; L463-L661 HydrophobicContact CB-CD1 4.17Å; L463-L664 HydrophobicContact CD1-CD1 3.59Å
464	R	91.4	Very high	85.2	Confident	97 Å²	97	58.4 Å²	58.4	37%	0.366	32%	0.317	S	S	.	.	H	α-helix	trans	-60	-56.6	174.9	177.2	-171.8	-60.2	-73.8	1.5	111.1	A460 S461 C466 L467 E468 L661	A460-R464 WeakPolarHBondContact O-CB 3.38Å; A460-R464 PolarHBondContact O-N 3.28Å; S461-R464 PolarHBondContact O-N 3.16Å; R464-C466 PolarHBondContact O-N 2.83Å; R464-L467 PolarHBondContact O-N 3.04Å; R464-E468 WeakPolarHBondContact CD-OE1 3.43Å; R464-E468 HydrophobicContact CG-CG 4.25Å; R464-E468 WeakPolarHBondContact CG-OE1 3.44Å; R464-E468 WeakPolarHBondContact CG-OE2 3.45Å; R464-E468 IonicContact NH1-OE1 3.57Å; R464-E468 PolarHBondContact NH1-OE1 2.92Å; R464-E468 WeakPolarHBondContact O-CB 3.36Å; R464-E468 WeakPolarHBondContact O-CG 3.14Å; R464-E468 PolarHBondContact O-N 3.16Å; R464-L661 HydrophobicContact CB-CD1 4.42Å; R464-L661 HydrophobicContact CB-CD2 3.98Å
465	G	86.8	Confident	84.6	Confident	25 Å²	25	61.6 Å²	61.6	26%	0.258	33%	0.329	S	S	.	.	H	α-helix	trans	-58.2	-36.1	-179.5	0	0	0	0	0	112.2	S461 N469	S461-G465 PolarHBondContact O-N 2.61Å; G465-N469 WeakPolarHBondContact O-CB 3.41Å; G465-N469 PolarHBondContact O-N 2.87Å; G465-N469 PolarHBondContact O-ND2 2.86Å
466	C	88.4	Confident	83.6	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.02	34%	0.342	C	S	.	.	H	α-helix	trans	-63.7	-54.9	170.2	-169.8	0	0	0	0	111.9	V462 L463 R464 E468 N469 M470 L641	V462-C466 WeakPolarHBondContact O-CB 3.37Å; V462-C466 PolarHBondContact O-N 3.11Å; L463-C466 PolarHBondContact O-N 3.09Å; R464-C466 PolarHBondContact O-N 2.83Å; C466-E468 VanDerWaalsContact C-N 3.31Å; C466-E468 PolarHBondContact O-N 3.14Å; C466-N469 PolarHBondContact O-N 2.99Å; C466-M470 WeakPolarHBondContact O-CB 3.42Å; C466-M470 PolarHBondContact O-N 2.77Å; C466-M470 WeakPolarHBondContact SG-CE 3.44Å; C466-L641 HydrophobicContact CB-CD1 3.99Å; C466-L641 HydrophobicContact CB-CD2 4.12Å; C466-L641 HydrophobicContact CB-CG 4.07Å; C466-L641 WeakPolarHBondContact SG-CD1 3.16Å
467	L	90	Very high	82.8	Confident	16 Å²	16	64.2 Å²	64.2	8%	0.084	35%	0.345	C	S	.	.	H	α-helix	trans	-63.6	-31.1	-176	-81.1	168.4	0	0	0	114.7	L463 R464 R654 L657 V658 L661	L463-L467 WeakPolarHBondContact O-CB 3.42Å; L463-L467 WeakPolarHBondContact O-CG 3.49Å; L463-L467 PolarHBondContact O-N 2.72Å; R464-L467 PolarHBondContact O-N 3.04Å; L467-R654 HydrophobicContact CD2-CG 3.87Å; L467-R654 PolarHBondContact O-NH2 3.5Å; L467-L657 HydrophobicContact CD1-CB 4.19Å; L467-L657 HydrophobicContact CD2-CB 3.79Å; L467-L657 HydrophobicContact CG-CB 4.26Å; L467-V658 HydrophobicContact CD1-CB 4.49Å; L467-V658 HydrophobicContact CD1-CG2 3.94Å; L467-V658 HydrophobicContact CD2-CG2 3.75Å; L467-V658 HydrophobicContact CG-CG2 4.43Å; L467-L661 HydrophobicContact CD1-CB 4.13Å; L467-L661 HydrophobicContact CD1-CD2 3.86Å
468	E	90.3	Very high	82	Confident	125 Å²	125	66.6 Å²	66.6	58%	0.584	36%	0.356	S	S	*	.	H	α-helix	trans	-77.8	-38.3	178.9	-71.9	169.4	-178.9	0	0	111.7	R464 C466	R464-E468 WeakPolarHBondContact CD-OE1 3.43Å; R464-E468 HydrophobicContact CG-CG 4.25Å; R464-E468 WeakPolarHBondContact CG-OE1 3.44Å; R464-E468 WeakPolarHBondContact CG-OE2 3.45Å; R464-E468 IonicContact NH1-OE1 3.57Å; R464-E468 PolarHBondContact NH1-OE1 2.92Å; R464-E468 WeakPolarHBondContact O-CB 3.36Å; R464-E468 WeakPolarHBondContact O-CG 3.14Å; R464-E468 PolarHBondContact O-N 3.16Å; C466-E468 VanDerWaalsContact C-N 3.31Å; C466-E468 PolarHBondContact O-N 3.14Å
469	N	84.8	Confident	81.1	Confident	115 Å²	115	66 Å²	66	62%	0.615	35%	0.353	S	S	*	.	H	α-helix	trans	-96.9	-12.2	-176.5	-63.9	-83.2	0	0	0	114.5	G465 C466 L645	G465-N469 WeakPolarHBondContact O-CB 3.41Å; G465-N469 PolarHBondContact O-N 2.87Å; G465-N469 PolarHBondContact O-ND2 2.86Å; C466-N469 PolarHBondContact O-N 2.99Å; N469-L645 HydrophobicContact CB-CD2 3.65Å
470	M	87.9	Confident	80.2	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.025	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-66.7	126	179.2	176.9	-166.9	-58.8	0	0	111.8	C466 L644 C649 R654 L657	C466-M470 WeakPolarHBondContact O-CB 3.42Å; C466-M470 PolarHBondContact O-N 2.77Å; C466-M470 WeakPolarHBondContact SG-CE 3.44Å; M470-L644 HydrophobicContact CE-CB 4.16Å; M470-C649 HydrophobicContact SD-CB 4.29Å; M470-C649 PolarHBondContact SD-SG 3.23Å; M470-R654 VanDerWaalsContact O-CZ 3.25Å; M470-R654 PolarHBondContact O-NH1 3.34Å; M470-R654 PolarHBondContact O-NH2 2.99Å; M470-R654 HydrophobicContact SD-CG 4.32Å; M470-L657 HydrophobicContact CE-CD1 4.11Å
471	P	84.8	Confident	78.5	Confident	53 Å²	53	76.3 Å²	76.3	34%	0.344	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-68.9	166.6	176.2	28.6	-34.3	0	0	0	112.2	L645 G648 R654	P471-L645 WeakPolarHBondContact CD-O 3.41Å; P471-G648 WeakPolarHBondContact O-CA 3.5Å; P471-R654 PolarHBondContact O-NH1 2.83Å
472	K	79.8	Confident	77	Confident	206 Å²	206	77.4 Å²	77.4	90%	0.896	41%	0.414	S	S	*	.	B	Isolated β-bridge	trans	-82.1	125.4	171.7	-66.9	-177.6	-179.2	178.9	0	109
473	A	76.7	Confident	75.5	Confident	27 Å²	27	77.3 Å²	77.3	22%	0.223	41%	0.414	C	S	.	.			trans	-143.5	152.9	175.2	0	0	0	0	0	110.3	S647 C649	A473-S647 WeakPolarHBondContact CB-O 3.28Å; A473-C649 VanDerWaalsContact O-O 3.14Å
474	N	65.8	Low	74.4	Confident	144 Å²	144	81.9 Å²	81.9	77%	0.77	45%	0.446	S	S	*	.	S	Bend	trans	-99.4	-26.6	174	-66.7	-20.1	0	0	0	111.8
475	D	65.8	Low	73.7	Confident	132 Å²	132	78 Å²	78	71%	0.706	43%	0.433	S	S	*	.	S	Bend	trans	-80.8	159.1	-176.1	-59.5	-68.1	0	0	0	113
476	T	64.2	Low	73.6	Confident	70 Å²	70	79.1 Å²	79.1	43%	0.429	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-92.4	121.8	175.7	-57.7	0	0	0	0	109.6	K637 F639	T476-K637 HydrophobicContact CG2-CD 4.32Å; T476-F639 HydrophobicContact CG2-CE1 3.6Å; T476-F639 HydrophobicContact CG2-CZ 3.73Å
477	P	68.8	Low	73.6	Confident	14 Å²	14	80.4 Å²	80.4	9%	0.091	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-66.9	167	176.9	24.1	-30.3	0	0	0	112.7	T479 F639 L644	P477-T479 PolarHBondContact O-N 2.84Å; P477-F639 HydrophobicContact CG-CD1 3.89Å; P477-F639 HydrophobicContact CG-CE1 4.08Å; P477-F639 WeakPolarHBondContact O-CE1 3.22Å; P477-L644 HydrophobicContact CG-CD2 3.52Å
478	Q	67.6	Low	73.7	Confident	180 Å²	180	79.6 Å²	79.6	84%	0.841	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-56.6	127.4	-177.5	-68.2	-175.9	-6.3	0	0	111.9
479	T	67.4	Low	73.7	Confident	52 Å²	52	74.1 Å²	74.1	32%	0.319	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-93.2	143.5	-179.1	49.7	0	0	0	0	111.7	P477 K637 T638 F639	P477-T479 PolarHBondContact O-N 2.84Å; T479-K637 HydrophobicContact CG2-CB 3.85Å; T479-K637 HydrophobicContact CG2-CD 4.11Å; T479-K637 HydrophobicContact CG2-CG 4.01Å; T479-T638 WeakPolarHBondContact CA-O 3.24Å; T479-F639 HydrophobicContact CG2-CD1 4.07Å; T479-F639 HydrophobicContact CG2-CE1 3.49Å; T479-F639 VanDerWaalsContact CG2-CE1 3.49Å; T479-F639 HydrophobicContact CG2-CZ 4.02Å
480	L	69.4	Low	73.9	Confident	72 Å²	72	69 Å²	69	38%	0.377	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-83.3	128.7	163.4	-83.6	73.3	0	0	0	109	S482 M626 T638 K640	L480-S482 VanDerWaalsContact C-N 3.33Å; L480-M626 HydrophobicContact CD1-CE 4.43Å; L480-M626 HydrophobicContact CD2-CE 4.02Å; L480-T638 PolarHBondContact N-O 3.05Å; L480-K640 HydrophobicContact CD1-CD 4.33Å; L480-K640 HydrophobicContact CD1-CG 4.19Å
481	N	54.8	Low	74.1	Confident	155 Å²	155	72.1 Å²	72.1	83%	0.829	39%	0.39	S	S	*	.	S	Bend	trans	-85.5	-1.9	-177.7	-69.3	-3.8	0	0	0	113.9
482	S	55	Low	74.2	Confident	103 Å²	103	70 Å²	70	72%	0.72	38%	0.376	S	S	*	.			trans	-151.3	131.6	171.3	55.4	0	0	0	0	111.5	L480	L480-S482 VanDerWaalsContact C-N 3.33Å
483	C	57.3	Low	74.4	Confident	29 Å²	29	61.6 Å²	61.6	20%	0.196	34%	0.341	C	S	.	.			trans	-142.3	133.8	167.6	178.6	0	0	0	0	107.2	L485 Q621 T638	C483-L485 PolarHBondContact O-N 3.07Å; C483-Q621 PolarHBondContact SG-OE1 3.06Å; C483-T638 HydrophobicContact CB-CG2 4.2Å
484	S	64.6	Low	74.6	Confident	96 Å²	96	60.6 Å²	60.6	67%	0.671	33%	0.331	S	S	*	.			trans	-79.7	71.4	176.1	-177.9	0	0	0	0	109.5	Q621	S484-Q621 PolarHBondContact O-NE2 3.14Å
485	L	77.1	Confident	75.3	Confident	17 Å²	17	54.9 Å²	54.9	9%	0.089	30%	0.303	C	S	.	.			trans	-101.4	116	-175.3	178	55.1	0	0	0	111.1	C483 W487 S505 L573 I617 C619 T628	C483-L485 PolarHBondContact O-N 3.07Å; L485-W487 HydrophobicContact CG-CB 4.38Å; L485-S505 PolarHBondContact O-OG 3Å; L485-L573 WeakPolarHBondContact O-CD1 3.32Å; L485-I617 HydrophobicContact CD1-CG2 4.38Å; L485-I617 HydrophobicContact CD2-CB 4.27Å; L485-I617 HydrophobicContact CD2-CG2 4.06Å; L485-C619 HydrophobicContact CD1-CB 3.94Å; L485-C619 VanDerWaalsContact CD1-SG 3.59Å; L485-T628 HydrophobicContact CD2-CG2 4.5Å; L485-T628 WeakPolarHBondContact CD2-OG1 3.43Å
486	Q	86.3	Confident	75.3	Confident	47 Å²	47	54 Å²	54	22%	0.22	30%	0.298	C	S	.	.			trans	-78	126.4	162.5	-77.7	167.3	-50.9	0	0	109.3	S505 D506 L584	Q486-S505 WeakPolarHBondContact CA-OG 3.27Å; Q486-D506 HydrophobicContact CG-CB 4.49Å; Q486-D506 PolarHBondContact NE2-OD2 2.9Å; Q486-L584 HydrophobicContact CB-CD1 3.31Å; Q486-L584 HydrophobicContact CG-CD1 4.31Å
487	W	88.1	Confident	75.7	Confident	30 Å²	30	53.9 Å²	53.9	11%	0.114	29%	0.292	C	S	.	.			trans	-146.7	162.2	179.4	64.7	-80.5	0	0	0	111	L485 T489 L504 S505 G570 K615 I617 I630	L485-W487 HydrophobicContact CG-CB 4.38Å; W487-T489 HydrophobicContact CD2-CG2 4.16Å; W487-T489 HydrophobicContact CE3-CG2 4.29Å; W487-T489 HydrophobicContact CH2-CG2 3.85Å; W487-T489 HydrophobicContact CZ2-CG2 3.71Å; W487-T489 HydrophobicContact CZ3-CG2 4.13Å; W487-T489 PolarHBondContact O-N 3.39Å; W487-L504 CarbonylContact O-C 3.6Å; W487-L504 VanDerWaalsContact O-CA 3.29Å; W487-L504 WeakPolarHBondContact O-CA 3.23Å; W487-S505 PolarHBondContact N-OG 3Å; W487-S505 VanDerWaalsContact N-OG 3.12Å; W487-S505 PolarHBondContact O-N 3.5Å; W487-G570 WeakPolarHBondContact CH2-O 3.43Å; W487-G570 WeakPolarHBondContact CZ2-O 3.34Å; W487-K615 HydrophobicContact CE3-CD 4.48Å; W487-K615 HydrophobicContact CH2-CD 4.46Å; W487-K615 HydrophobicContact CZ3-CD 3.71Å; W487-I617 HydrophobicContact CB-CG1 4.09Å; W487-I617 HydrophobicContact CB-CG2 4.31Å; W487-I617 HydrophobicContact CE3-CD1 4.48Å; W487-I630 HydrophobicContact CD2-CD1 4.37Å; W487-I630 HydrophobicContact CE3-CD1 4.18Å; W487-I630 HydrophobicContact CH2-CD1 3.59Å; W487-I630 HydrophobicContact CZ2-CD1 3.77Å; W487-I630 HydrophobicContact CZ3-CD1 3.81Å
488	V	92	Very high	76.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	106.5	-176.8	178.8	0	0	0	0	111.1	K490 W491 Y502 Q503 L504 M598 F600 Q606	V488-K490 VanDerWaalsContact CG1-O 3.28Å; V488-K490 WeakPolarHBondContact CG1-O 3.49Å; V488-W491 HydrophobicContact CG1-CB 4.04Å; V488-W491 HydrophobicContact CG1-CE3 4.18Å; V488-Y502 HydrophobicContact CG2-CD2 4.02Å; V488-Y502 HydrophobicContact CG2-CG 4.4Å; V488-Q503 CarbonylContact C-O 3.58Å; V488-Q503 WeakPolarHBondContact CA-O 3.41Å; V488-L504 HydrophobicContact CG2-CD2 3.92Å; V488-M598 HydrophobicContact CB-CE 3.79Å; V488-M598 HydrophobicContact CB-SD 4.23Å; V488-M598 HydrophobicContact CG1-CE 3.95Å; V488-M598 HydrophobicContact CG1-SD 4.06Å; V488-M598 HydrophobicContact CG2-CE 4Å; V488-M598 HydrophobicContact CG2-SD 3.96Å; V488-F600 HydrophobicContact CG2-CE2 3.86Å; V488-F600 HydrophobicContact CG2-CZ 3.44Å; V488-F600 VanDerWaalsContact CG2-CZ 3.44Å; V488-Q606 PolarHBondContact O-NE2 2.87Å
489	T	88.9	Confident	77.2	Confident	10 Å²	10	46.6 Å²	46.6	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-39.6	179.1	54.7	0	0	0	0	112.2	W487 Q503 D572	W487-T489 HydrophobicContact CD2-CG2 4.16Å; W487-T489 HydrophobicContact CE3-CG2 4.29Å; W487-T489 HydrophobicContact CH2-CG2 3.85Å; W487-T489 HydrophobicContact CZ2-CG2 3.71Å; W487-T489 HydrophobicContact CZ3-CG2 4.13Å; W487-T489 PolarHBondContact O-N 3.39Å; T489-Q503 PolarHBondContact N-O 2.98Å; T489-Q503 PolarHBondContact OG1-O 2.86Å; T489-D572 WeakPolarHBondContact CB-OD1 3.38Å; T489-D572 WeakPolarHBondContact CG2-OD1 3.44Å; T489-D572 PolarHBondContact OG1-OD1 3Å
490	K	90.2	Very high	78.5	Confident	7 Å²	7	44.2 Å²	44.2	3%	0.03	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.4	-179.4	-45.8	-176.7	-179.7	-169.4	0	110.5	V488 Y502 Q503 M563 L567 M568 D569	V488-K490 VanDerWaalsContact CG1-O 3.28Å; V488-K490 WeakPolarHBondContact CG1-O 3.49Å; K490-Y502 CarbonylContact O-C 3.57Å; K490-Y502 WeakPolarHBondContact O-CA 3.28Å; K490-Q503 HydrophobicContact CB-CB 4.01Å; K490-Q503 HydrophobicContact CG-CB 4.45Å; K490-Q503 PolarHBondContact N-O 3.49Å; K490-Q503 PolarHBondContact O-N 3.01Å; K490-M563 HydrophobicContact CB-CB 4.35Å; K490-M563 HydrophobicContact CB-CG 4.5Å; K490-M563 HydrophobicContact CB-SD 4.15Å; K490-M563 HydrophobicContact CD-CB 4.26Å; K490-M563 WeakPolarHBondContact CD-O 3.29Å; K490-M563 PolarHBondContact NZ-O 3.25Å; K490-L567 HydrophobicContact CB-CD1 4.03Å; K490-L567 HydrophobicContact CD-CB 4Å; K490-L567 WeakPolarHBondContact CE-O 3.47Å; K490-L567 PolarHBondContact NZ-O 2.89Å; K490-M568 WeakPolarHBondContact CE-O 3.08Å; K490-D569 WeakPolarHBondContact CE-OD1 3.46Å; K490-D569 IonicContact NZ-OD1 2.59Å; K490-D569 PolarHBondContact NZ-OD1 2.85Å
491	W	92.4	Very high	79.7	Confident	71 Å²	71	40.8 Å²	40.8	27%	0.269	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	157.4	179.6	67.1	88.7	0	0	0	113.8	V488 F500 G501 L596 N608	V488-W491 HydrophobicContact CG1-CB 4.04Å; V488-W491 HydrophobicContact CG1-CE3 4.18Å; W491-F500 HydrophobicContact CB-CE1 4.34Å; W491-F500 HydrophobicContact CB-CZ 3.84Å; W491-F500 HydrophobicContact CG-CZ 4.23Å; W491-G501 CarbonylContact C-O 3.57Å; W491-G501 WeakPolarHBondContact CA-O 3.39Å; W491-L596 HydrophobicContact CD2-CD2 4.13Å; W491-L596 HydrophobicContact CG-CD2 3.81Å; W491-N608 HydrophobicContact CH2-CB 3.86Å; W491-N608 VanDerWaalsContact CH2-ND2 3.27Å; W491-N608 WeakPolarHBondContact CH2-ND2 3.39Å; W491-N608 HydrophobicContact CZ2-CB 3.99Å; W491-N608 WeakPolarHBondContact CZ3-ND2 3.14Å
492	V	85.6	Confident	81.6	Confident	9 Å²	9	33.4 Å²	33.4	6%	0.055	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	113.1	-169.4	173.5	0	0	0	0	110.4	L386 Y494 G501 Y562 M563 L567	L386-V492 HydrophobicContact CD1-CG1 3.59Å; L386-V492 HydrophobicContact CD2-CG1 4.26Å; V492-Y494 HydrophobicContact CG1-CD2 4.09Å; V492-Y494 PolarHBondContact O-N 3.11Å; V492-G501 PolarHBondContact N-O 3.02Å; V492-G501 PolarHBondContact O-N 3.49Å; V492-Y562 HydrophobicContact CG2-CD1 3.94Å; V492-Y562 HydrophobicContact CG2-CE1 3.98Å; V492-M563 HydrophobicContact CG2-CG 3.62Å; V492-M563 HydrophobicContact CG2-SD 3.87Å; V492-L567 HydrophobicContact CG2-CD1 4.24Å
493	D	85.6	Confident	83.5	Confident	28 Å²	28	28.6 Å²	28.6	15%	0.15	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	98.4	178.4	174	16.9	0	0	0	111.7	S495 F500 K591	D493-S495 VanDerWaalsContact OD1-CB 3.31Å; D493-S495 WeakPolarHBondContact OD1-CB 3.39Å; D493-S495 PolarHBondContact OD1-N 3.42Å; D493-S495 PolarHBondContact OD1-OG 3.35Å; D493-F500 HydrophobicContact CB-CD2 4.05Å; D493-F500 HydrophobicContact CB-CE2 4.14Å; D493-K591 WeakPolarHBondContact OD2-CD 3.45Å; D493-K591 IonicContact OD2-NZ 2.78Å; D493-K591 PolarHBondContact OD2-NZ 3.02Å
494	Y	79.9	Confident	85.1	Confident	6 Å²	6	27.3 Å²	27.3	2%	0.024	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	28.6	176.9	-107.4	-107.4	0	0	0	113.6	D385 L386 T389 V492 N496 K497 Y498 G499 F559	D385-Y494 HydrophobicContact CB-CE1 3.93Å; D385-Y494 WeakPolarHBondContact CB-OH 3.25Å; D385-Y494 PolarHBondContact O-OH 3.43Å; L386-Y494 HydrophobicContact CD1-CD2 3.27Å; L386-Y494 HydrophobicContact CD1-CE2 3.16Å; L386-Y494 HydrophobicContact CD1-CG 4.17Å; L386-Y494 HydrophobicContact CG-CE2 4.4Å; L386-Y494 PolarHBondContact N-OH 3.47Å; T389-Y494 HydrophobicContact CG2-CE2 4.22Å; T389-Y494 PolarHBondContact OG1-OH 2.93Å; V492-Y494 HydrophobicContact CG1-CD2 4.09Å; V492-Y494 PolarHBondContact O-N 3.11Å; Y494-N496 PolarHBondContact O-N 3.18Å; Y494-N496 VanDerWaalsContact O-N 3.11Å; Y494-K497 PolarHBondContact O-N 3.34Å; Y494-K497 VanDerWaalsContact O-N 3.09Å; Y494-Y498 HydrophobicContact CD1-CD2 4.31Å; Y494-Y498 PolarHBondContact O-N 2.9Å; Y494-G499 CarbonylContact C-O 3.59Å; Y494-G499 WeakPolarHBondContact CA-O 3.35Å; Y494-G499 VanDerWaalsContact CB-O 3.27Å; Y494-G499 WeakPolarHBondContact CB-O 3.4Å; Y494-G499 PolarHBondContact N-O 2.89Å; Y494-G499 PolarHBondContact O-N 2.84Å; Y494-F559 HydrophobicContact CG-CE1 4.45Å; Y494-F559 HydrophobicContact CG-CZ 4.3Å
495	S	80.8	Confident	86.2	Confident	24 Å²	24	22.8 Å²	22.8	17%	0.168	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.7	178.3	59.5	0	0	0	0	114.9	D493 K497 G499 N514 W589	D493-S495 VanDerWaalsContact OD1-CB 3.31Å; D493-S495 WeakPolarHBondContact OD1-CB 3.39Å; D493-S495 PolarHBondContact OD1-N 3.42Å; D493-S495 PolarHBondContact OD1-OG 3.35Å; S495-K497 VanDerWaalsContact C-N 3.26Å; S495-K497 PolarHBondContact O-N 2.88Å; S495-G499 PolarHBondContact N-O 3.04Å; S495-N514 WeakPolarHBondContact CA-OD1 3.38Å; S495-N514 PolarHBondContact O-ND2 2.99Å; S495-N514 PolarHBondContact O-OD1 2.82Å; S495-W589 VanDerWaalsContact CB-CZ2 3.46Å
496	N	65.7	Low	86.6	Confident	114 Å²	114	23.3 Å²	23.3	61%	0.61	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.6	175.4	65.7	3.4	0	0	0	114.3	Y494	Y494-N496 PolarHBondContact O-N 3.18Å; Y494-N496 VanDerWaalsContact O-N 3.11Å
497	K	71.8	Confident	86.6	Confident	67 Å²	67	23.9 Å²	23.9	29%	0.291	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-148.6	-38.3	-167.3	-167.4	-178.8	170.7	-162.8	0	114.8	K381 D385 Y494 S495	K381-K497 PolarHBondContact O-NZ 2.67Å; D385-K497 IonicContact OD2-NZ 2.86Å; D385-K497 PolarHBondContact OD2-NZ 3.5Å; Y494-K497 PolarHBondContact O-N 3.34Å; Y494-K497 VanDerWaalsContact O-N 3.09Å; S495-K497 VanDerWaalsContact C-N 3.26Å; S495-K497 PolarHBondContact O-N 2.88Å
498	Y	81.4	Confident	86.8	Confident	42 Å²	42	22.7 Å²	22.7	17%	0.165	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.6	-46.7	-176.7	-60.4	-80	0	0	0	114.1	L382 Y494 F513 N514 V555	L382-Y498 HydrophobicContact CD1-CE2 4.25Å; L382-Y498 HydrophobicContact CD2-CD2 3.45Å; L382-Y498 VanDerWaalsContact CD2-CD2 3.45Å; L382-Y498 HydrophobicContact CD2-CE2 3.17Å; L382-Y498 HydrophobicContact CD2-CG 4.36Å; L382-Y498 HydrophobicContact CG-CD2 4.29Å; L382-Y498 HydrophobicContact CG-CE2 3.54Å; Y494-Y498 HydrophobicContact CD1-CD2 4.31Å; Y494-Y498 PolarHBondContact O-N 2.9Å; Y498-F513 WeakPolarHBondContact O-CA 3.39Å; Y498-N514 PolarHBondContact O-N 3.35Å; Y498-V555 HydrophobicContact CD1-CG2 3.57Å; Y498-V555 HydrophobicContact CE1-CG2 3.89Å; Y498-V555 HydrophobicContact CG-CG1 4.37Å; Y498-V555 HydrophobicContact CG-CG2 4.06Å
499	G	87.6	Confident	86.9	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.2	178.7	-171.2	0	0	0	0	0	114.1	Y494 S495 L512 N514	Y494-G499 CarbonylContact C-O 3.59Å; Y494-G499 WeakPolarHBondContact CA-O 3.35Å; Y494-G499 VanDerWaalsContact CB-O 3.27Å; Y494-G499 WeakPolarHBondContact CB-O 3.4Å; Y494-G499 PolarHBondContact N-O 2.89Å; Y494-G499 PolarHBondContact O-N 2.84Å; S495-G499 PolarHBondContact N-O 3.04Å; G499-L512 CarbonylContact C-O 3.54Å; G499-L512 WeakPolarHBondContact CA-O 3.37Å; G499-N514 WeakPolarHBondContact CA-OD1 3.38Å; G499-N514 PolarHBondContact N-OD1 3.27Å
500	F	94.1	Very high	87.1	Confident	1 Å²	1	22.2 Å²	22.2	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.6	175.6	-177.3	-84.7	0	0	0	110.3	W491 D493 Y502 V511 L512 L586 W589 L596 M598	W491-F500 HydrophobicContact CB-CE1 4.34Å; W491-F500 HydrophobicContact CB-CZ 3.84Å; W491-F500 HydrophobicContact CG-CZ 4.23Å; D493-F500 HydrophobicContact CB-CD2 4.05Å; D493-F500 HydrophobicContact CB-CE2 4.14Å; F500-Y502 HydrophobicContact CD1-CD1 4.49Å; F500-V511 WeakPolarHBondContact O-CA 3.49Å; F500-L512 PolarHBondContact N-O 3.15Å; F500-L512 PolarHBondContact O-N 3.2Å; F500-L586 HydrophobicContact CD1-CD2 3.51Å; F500-L586 HydrophobicContact CE1-CD2 3.98Å; F500-L586 HydrophobicContact CG-CD2 4.47Å; F500-W589 HydrophobicContact CB-CD2 4.12Å; F500-W589 HydrophobicContact CB-CG 4.24Å; F500-W589 HydrophobicContact CB-CZ2 4.16Å; F500-W589 HydrophobicContact CD1-CG 4.24Å; F500-W589 AromaticContact CD2-CD2 3.63Å; F500-W589 HydrophobicContact CD2-CD2 3.63Å; F500-W589 AromaticContact CD2-CE2 3.91Å; F500-W589 AromaticContact CD2-CE3 3.8Å; F500-W589 HydrophobicContact CD2-CE3 3.8Å; F500-W589 HydrophobicContact CD2-CG 4.05Å; F500-W589 HydrophobicContact CD2-CH2 4.46Å; F500-W589 HydrophobicContact CD2-CZ2 4.35Å; F500-W589 HydrophobicContact CD2-CZ3 4.19Å; F500-W589 HydrophobicContact CE2-CD2 4.27Å; F500-W589 HydrophobicContact CE2-CE3 4.15Å; F500-W589 AromaticContact CG-CD1 3.88Å; F500-W589 AromaticContact CG-CD2 3.87Å; F500-W589 HydrophobicContact CG-CD2 3.87Å; F500-W589 AromaticContact CG-CE2 3.93Å; F500-W589 HydrophobicContact CG-CE3 4.5Å; F500-W589 AromaticContact CG-CG 3.9Å; F500-W589 HydrophobicContact CG-CG 3.9Å; F500-W589 AromaticContact CG-NE1 3.88Å; F500-L596 HydrophobicContact CE2-CD1 4.01Å; F500-L596 HydrophobicContact CE2-CD2 4.04Å; F500-L596 HydrophobicContact CZ-CD1 4.25Å; F500-L596 HydrophobicContact CZ-CD2 3.69Å; F500-M598 HydrophobicContact CE1-CG 4.45Å; F500-M598 HydrophobicContact CE1-SD 3.88Å; F500-M598 HydrophobicContact CZ-SD 3.92Å
501	G	94.4	Very high	87.4	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	147.6	179.8	0	0	0	0	0	113.2	W491 V492 G510	W491-G501 CarbonylContact C-O 3.57Å; W491-G501 WeakPolarHBondContact CA-O 3.39Å; V492-G501 PolarHBondContact N-O 3.02Å; V492-G501 PolarHBondContact O-N 3.49Å; G501-G510 CarbonylContact C-O 3.54Å; G501-G510 WeakPolarHBondContact CA-O 3.33Å
502	Y	95	Very high	87.5	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	155.2	176.1	66.1	-85.4	0	0	0	112.5	V488 K490 F500 L504 V509 G510 H518 M563 Y585 L586 F600	V488-Y502 HydrophobicContact CG2-CD2 4.02Å; V488-Y502 HydrophobicContact CG2-CG 4.4Å; K490-Y502 CarbonylContact O-C 3.57Å; K490-Y502 WeakPolarHBondContact O-CA 3.28Å; F500-Y502 HydrophobicContact CD1-CD1 4.49Å; Y502-L504 HydrophobicContact CD2-CD2 4.04Å; Y502-L504 HydrophobicContact CD2-CG 4.09Å; Y502-L504 HydrophobicContact CE2-CD1 4.26Å; Y502-L504 HydrophobicContact CE2-CD2 3.93Å; Y502-L504 HydrophobicContact CE2-CG 3.82Å; Y502-V509 CarbonylContact O-C 3.55Å; Y502-V509 WeakPolarHBondContact O-CA 3.29Å; Y502-G510 WeakPolarHBondContact CD1-O 3.34Å; Y502-G510 PolarHBondContact N-O 3.39Å; Y502-G510 PolarHBondContact O-N 2.7Å; Y502-H518 AromaticContact CE1-NE2 3.62Å; Y502-H518 AromaticContact CZ-NE2 3.65Å; Y502-H518 PolarHBondContact OH-CE1 2.99Å; Y502-H518 PolarHBondContact OH-NE2 3.35Å; Y502-M563 VanDerWaalsContact C-CE 3.45Å; Y502-M563 WeakPolarHBondContact O-CE 3.42Å; Y502-Y585 WeakPolarHBondContact OH-CA 3.47Å; Y502-L586 HydrophobicContact CD1-CB 4.22Å; Y502-L586 HydrophobicContact CD1-CD2 4.03Å; Y502-L586 HydrophobicContact CE1-CB 3.49Å; Y502-L586 VanDerWaalsContact CE1-CB 3.49Å; Y502-L586 HydrophobicContact CE1-CD2 4.08Å; Y502-L586 HydrophobicContact CE1-CG 4.4Å; Y502-L586 PolarHBondContact OH-N 2.99Å; Y502-F600 HydrophobicContact CD2-CE1 4.36Å; Y502-F600 HydrophobicContact CD2-CZ 4.32Å; Y502-F600 AromaticContact CE2-CE1 3.73Å; Y502-F600 HydrophobicContact CE2-CE1 3.73Å; Y502-F600 HydrophobicContact CE2-CZ 4.14Å; Y502-F600 AromaticContact CZ-CE1 3.84Å
503	Q	94	Very high	87.7	Confident	3 Å²	3	19 Å²	19	1%	0.014	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132	168.3	-175.9	-178.3	-61.8	0	0	108.5	V488 T489 K490 T508 V509 M563 D572	V488-Q503 CarbonylContact C-O 3.58Å; V488-Q503 WeakPolarHBondContact CA-O 3.41Å; T489-Q503 PolarHBondContact N-O 2.98Å; T489-Q503 PolarHBondContact OG1-O 2.86Å; K490-Q503 HydrophobicContact CB-CB 4.01Å; K490-Q503 HydrophobicContact CG-CB 4.45Å; K490-Q503 PolarHBondContact N-O 3.49Å; K490-Q503 PolarHBondContact O-N 3.01Å; Q503-T508 WeakPolarHBondContact CA-O 3.37Å; Q503-V509 HydrophobicContact CB-CG2 4.13Å; Q503-V509 HydrophobicContact CG-CG2 4.02Å; Q503-M563 HydrophobicContact CB-CE 4.17Å; Q503-M563 HydrophobicContact CB-SD 4.2Å; Q503-D572 PolarHBondContact NE2-OD1 2.93Å; Q503-D572 VanDerWaalsContact NE2-OD1 3.09Å
504	L	91.3	Very high	87.7	Confident	2 Å²	2	21.2 Å²	21.2	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	159.7	170.4	-64.2	176.4	0	0	0	111.1	W487 V488 Y502 D506 H507 T508 L584 F600	W487-L504 CarbonylContact O-C 3.6Å; W487-L504 VanDerWaalsContact O-CA 3.29Å; W487-L504 WeakPolarHBondContact O-CA 3.23Å; V488-L504 HydrophobicContact CG2-CD2 3.92Å; Y502-L504 HydrophobicContact CD2-CD2 4.04Å; Y502-L504 HydrophobicContact CD2-CG 4.09Å; Y502-L504 HydrophobicContact CE2-CD1 4.26Å; Y502-L504 HydrophobicContact CE2-CD2 3.93Å; Y502-L504 HydrophobicContact CE2-CG 3.82Å; L504-D506 WeakPolarHBondContact CB-OD1 3.37Å; L504-D506 PolarHBondContact O-N 3.38Å; L504-H507 WeakPolarHBondContact O-CA 3.49Å; L504-H507 PolarHBondContact O-N 2.81Å; L504-T508 HydrophobicContact CD1-CG2 4.48Å; L504-T508 PolarHBondContact N-O 3.1Å; L504-L584 HydrophobicContact CD1-CB 3.69Å; L504-L584 HydrophobicContact CD1-CD1 4.3Å; L504-F600 HydrophobicContact CD2-CE1 4.28Å; L504-F600 HydrophobicContact CD2-CZ 4.38Å
505	S	87.1	Confident	87.8	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-5.1	177.7	54.4	0	0	0	0	115.1	L485 Q486 W487 L573	L485-S505 PolarHBondContact O-OG 3Å; Q486-S505 WeakPolarHBondContact CA-OG 3.27Å; W487-S505 PolarHBondContact N-OG 3Å; W487-S505 VanDerWaalsContact N-OG 3.12Å; W487-S505 PolarHBondContact O-N 3.5Å; S505-L573 WeakPolarHBondContact O-CB 3.08Å; S505-L573 PolarHBondContact O-N 2.71Å
506	D	86.1	Confident	87.9	Confident	29 Å²	29	23.9 Å²	23.9	16%	0.155	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	7.1	169.3	70.3	-13.5	0	0	0	113.2	Q486 L504 T508 P523	Q486-D506 HydrophobicContact CG-CB 4.49Å; Q486-D506 PolarHBondContact NE2-OD2 2.9Å; L504-D506 WeakPolarHBondContact CB-OD1 3.37Å; L504-D506 PolarHBondContact O-N 3.38Å; D506-T508 VanDerWaalsContact C-N 3.3Å; D506-T508 PolarHBondContact O-N 2.8Å; D506-T508 WeakPolarHBondContact OD1-CB 3.48Å; D506-T508 PolarHBondContact OD1-N 2.97Å; D506-T508 PolarHBondContact OD1-OG1 2.71Å; D506-T508 PolarHBondContact OD2-OG1 3.49Å; D506-P523 WeakPolarHBondContact O-CB 3.5Å; D506-P523 WeakPolarHBondContact O-CG 3.49Å
507	H	86.7	Confident	89.1	Confident	59 Å²	59	19.1 Å²	19.1	27%	0.273	9%	0.094	S	C	.	.	S	Bend	trans	69.2	7.9	-170.2	-47.6	-75.5	0	0	0	116.4	L504 V509 P523 R525 D572	L504-H507 WeakPolarHBondContact O-CA 3.49Å; L504-H507 PolarHBondContact O-N 2.81Å; H507-V509 PolarHBondContact O-N 2.89Å; H507-P523 HydrophobicContact CB-CB 4.49Å; H507-R525 PolarHBondContact O-NH1 3.39Å; H507-D572 VanDerWaalsContact CE1-CB 3.48Å; H507-D572 WeakPolarHBondContact CE1-CB 3.31Å
508	T	91.6	Very high	90.1	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.031	8%	0.081	C	C	.	.			trans	-62.8	128.1	168	-61.9	0	0	0	0	109.2	Q503 L504 D506 L522 P523	Q503-T508 WeakPolarHBondContact CA-O 3.37Å; L504-T508 HydrophobicContact CD1-CG2 4.48Å; L504-T508 PolarHBondContact N-O 3.1Å; D506-T508 VanDerWaalsContact C-N 3.3Å; D506-T508 PolarHBondContact O-N 2.8Å; D506-T508 WeakPolarHBondContact OD1-CB 3.48Å; D506-T508 PolarHBondContact OD1-N 2.97Å; D506-T508 PolarHBondContact OD1-OG1 2.71Å; D506-T508 PolarHBondContact OD2-OG1 3.49Å; T508-L522 HydrophobicContact CG2-CD2 4.25Å; T508-P523 WeakPolarHBondContact OG1-CD 3.49Å
509	V	94	Very high	90.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.9	178	168.3	0	0	0	0	109.6	Y502 Q503 H507 S520 L521 L556 M563	Y502-V509 CarbonylContact O-C 3.55Å; Y502-V509 WeakPolarHBondContact O-CA 3.29Å; Q503-V509 HydrophobicContact CB-CG2 4.13Å; Q503-V509 HydrophobicContact CG-CG2 4.02Å; H507-V509 PolarHBondContact O-N 2.89Å; V509-S520 CarbonylContact O-C 3.59Å; V509-S520 VanDerWaalsContact O-CA 3.27Å; V509-S520 WeakPolarHBondContact O-CA 3.43Å; V509-L521 PolarHBondContact N-O 2.93Å; V509-L521 PolarHBondContact O-N 2.82Å; V509-L556 HydrophobicContact CG1-CD1 4.28Å; V509-L556 WeakPolarHBondContact O-CD1 3.08Å; V509-M563 HydrophobicContact CB-CE 4.39Å; V509-M563 HydrophobicContact CG1-CE 3.54Å; V509-M563 HydrophobicContact CG2-CE 4.08Å
510	G	94.8	Very high	91	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	153.4	179.3	0	0	0	0	0	113.4	G501 Y502 M519	G501-G510 CarbonylContact C-O 3.54Å; G501-G510 WeakPolarHBondContact CA-O 3.33Å; Y502-G510 WeakPolarHBondContact CD1-O 3.34Å; Y502-G510 PolarHBondContact N-O 3.39Å; Y502-G510 PolarHBondContact O-N 2.7Å; G510-M519 CarbonylContact C-O 3.44Å; G510-M519 VanDerWaalsContact CA-O 3.27Å; G510-M519 WeakPolarHBondContact CA-O 3.37Å
511	V	95.2	Very high	91	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	121.8	173.7	-171.8	0	0	0	0	109.9	F500 F513 H518 M519 L556 F559	F500-V511 WeakPolarHBondContact O-CA 3.49Å; V511-F513 HydrophobicContact CB-CD2 4.36Å; V511-F513 HydrophobicContact CB-CE1 4.47Å; V511-F513 HydrophobicContact CB-CE2 3.83Å; V511-F513 HydrophobicContact CB-CZ 3.88Å; V511-F513 HydrophobicContact CG1-CD1 4.04Å; V511-F513 HydrophobicContact CG1-CD2 4.12Å; V511-F513 HydrophobicContact CG1-CE1 3.82Å; V511-F513 HydrophobicContact CG1-CE2 3.9Å; V511-F513 HydrophobicContact CG1-CG 4.18Å; V511-F513 HydrophobicContact CG1-CZ 3.74Å; V511-H518 CarbonylContact O-C 3.46Å; V511-H518 VanDerWaalsContact O-CA 3.26Å; V511-H518 WeakPolarHBondContact O-CA 3.33Å; V511-H518 PolarHBondContact O-CD2 2.88Å; V511-H518 VanDerWaalsContact O-CD2 3.28Å; V511-M519 PolarHBondContact N-O 3.21Å; V511-M519 PolarHBondContact O-N 3.37Å; V511-L556 HydrophobicContact CG2-CB 4.34Å; V511-L556 HydrophobicContact CG2-CD1 3.78Å; V511-F559 HydrophobicContact CB-CD2 4.44Å; V511-F559 HydrophobicContact CG1-CD2 4.05Å; V511-F559 HydrophobicContact CG1-CE2 3.81Å; V511-F559 HydrophobicContact CG2-CB 4.44Å; V511-F559 HydrophobicContact CG2-CD2 3.56Å; V511-F559 HydrophobicContact CG2-CE2 4.21Å; V511-F559 HydrophobicContact CG2-CG 4.38Å
512	L	94	Very high	90.8	Very high	4 Å²	4	15 Å²	15	2%	0.021	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	110.4	165.2	-178	65.7	0	0	0	108.6	L437 G499 F500 H518 L586	L437-L512 HydrophobicContact CB-CD1 4.04Å; L437-L512 HydrophobicContact CD1-CD1 3.52Å; L437-L512 HydrophobicContact CG-CD1 4.4Å; G499-L512 CarbonylContact C-O 3.54Å; G499-L512 WeakPolarHBondContact CA-O 3.37Å; F500-L512 PolarHBondContact N-O 3.15Å; F500-L512 PolarHBondContact O-N 3.2Å; L512-H518 HydrophobicContact CD1-CB 4.12Å; L512-L586 HydrophobicContact CB-CD2 4.12Å; L512-L586 HydrophobicContact CD2-CD2 4.26Å; L512-L586 HydrophobicContact CD2-CG 4.44Å
513	F	89.9	Confident	90.4	Very high	14 Å²	14	16.6 Å²	16.6	6%	0.061	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	154.3	-173.8	-68.1	-87.3	0	0	0	112.9	Y498 V511 N515 G516 T517 M519 Q552 V555	Y498-F513 WeakPolarHBondContact O-CA 3.39Å; V511-F513 HydrophobicContact CB-CD2 4.36Å; V511-F513 HydrophobicContact CB-CE1 4.47Å; V511-F513 HydrophobicContact CB-CE2 3.83Å; V511-F513 HydrophobicContact CB-CZ 3.88Å; V511-F513 HydrophobicContact CG1-CD1 4.04Å; V511-F513 HydrophobicContact CG1-CD2 4.12Å; V511-F513 HydrophobicContact CG1-CE1 3.82Å; V511-F513 HydrophobicContact CG1-CE2 3.9Å; V511-F513 HydrophobicContact CG1-CG 4.18Å; V511-F513 HydrophobicContact CG1-CZ 3.74Å; F513-N515 WeakPolarHBondContact CB-OD1 3.49Å; F513-N515 PolarHBondContact O-N 3.21Å; F513-G516 PolarHBondContact O-N 2.8Å; F513-T517 WeakPolarHBondContact CB-O 3.5Å; F513-T517 PolarHBondContact N-O 2.84Å; F513-M519 HydrophobicContact CE2-CB 4.01Å; F513-M519 HydrophobicContact CE2-CG 3.9Å; F513-M519 HydrophobicContact CE2-SD 4.2Å; F513-M519 HydrophobicContact CZ-SD 4.46Å; F513-Q552 HydrophobicContact CD1-CG 4.23Å; F513-Q552 HydrophobicContact CE1-CB 3.92Å; F513-Q552 HydrophobicContact CE1-CG 3.95Å; F513-Q552 HydrophobicContact CE2-CB 4.13Å; F513-Q552 HydrophobicContact CE2-CG 4.4Å; F513-Q552 HydrophobicContact CZ-CB 3.63Å; F513-Q552 HydrophobicContact CZ-CG 4.05Å; F513-Q552 WeakPolarHBondContact CZ-O 3.46Å; F513-V555 HydrophobicContact CE1-CB 3.97Å; F513-V555 HydrophobicContact CE1-CG1 3.88Å
514	N	85.6	Confident	89.9	Confident	75 Å²	75	19.7 Å²	19.7	40%	0.401	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-12.1	178.1	-75.6	5	0	0	0	114.8	S495 Y498 G499 G516	S495-N514 WeakPolarHBondContact CA-OD1 3.38Å; S495-N514 PolarHBondContact O-ND2 2.99Å; S495-N514 PolarHBondContact O-OD1 2.82Å; Y498-N514 PolarHBondContact O-N 3.35Å; G499-N514 WeakPolarHBondContact CA-OD1 3.38Å; G499-N514 PolarHBondContact N-OD1 3.27Å; N514-G516 VanDerWaalsContact C-N 3.34Å
515	N	82.5	Confident	89.6	Confident	85 Å²	85	23 Å²	23	46%	0.455	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	9.6	174.4	68.9	-13.4	0	0	0	113.1	F513 T517	F513-N515 WeakPolarHBondContact CB-OD1 3.49Å; F513-N515 PolarHBondContact O-N 3.21Å; N515-T517 VanDerWaalsContact C-N 3.31Å; N515-T517 PolarHBondContact ND2-OG1 2.94Å; N515-T517 PolarHBondContact O-N 3.29Å; N515-T517 WeakPolarHBondContact OD1-CB 3.37Å; N515-T517 PolarHBondContact OD1-N 3.08Å; N515-T517 VanDerWaalsContact OD1-N 3.16Å; N515-T517 PolarHBondContact OD1-OG1 2.95Å
516	G	83.8	Confident	89.6	Confident	2 Å²	2	29.8 Å²	29.8	2%	0.021	15%	0.148	C	C	.	.	S	Bend	trans	79.8	5.5	-179	0	0	0	0	0	114.9	L437 G438 F513 N514	L437-G516 CarbonylContact C-O 3.59Å; L437-G516 VanDerWaalsContact CA-O 3.31Å; L437-G516 WeakPolarHBondContact CA-O 3.41Å; L437-G516 VanDerWaalsContact CD1-O 3.23Å; L437-G516 WeakPolarHBondContact CD1-O 3.44Å; L437-G516 WeakPolarHBondContact CG-O 3.21Å; G438-G516 PolarHBondContact N-O 2.84Å; F513-G516 PolarHBondContact O-N 2.8Å; N514-G516 VanDerWaalsContact C-N 3.34Å
517	T	90.2	Very high	89.8	Confident	13 Å²	13	30.2 Å²	30.2	8%	0.08	15%	0.151	C	C	.	.			trans	-100.3	162.8	177.8	70.5	0	0	0	0	111.7	F513 N515 Y530 Q552	F513-T517 WeakPolarHBondContact CB-O 3.5Å; F513-T517 PolarHBondContact N-O 2.84Å; N515-T517 VanDerWaalsContact C-N 3.31Å; N515-T517 PolarHBondContact ND2-OG1 2.94Å; N515-T517 PolarHBondContact O-N 3.29Å; N515-T517 WeakPolarHBondContact OD1-CB 3.37Å; N515-T517 PolarHBondContact OD1-N 3.08Å; N515-T517 VanDerWaalsContact OD1-N 3.16Å; N515-T517 PolarHBondContact OD1-OG1 2.95Å; T517-Y530 HydrophobicContact CG2-CE2 4.26Å; T517-Y530 WeakPolarHBondContact CG2-OH 3.37Å; T517-Q552 PolarHBondContact OG1-NE2 3.46Å
518	H	93.3	Very high	90	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.9	-179.5	175.6	-77.4	0	0	0	112.6	L437 Y502 V511 L512 S520 Y530 Y531 Y585	L437-H518 HydrophobicContact CD1-CB 3.51Å; Y502-H518 AromaticContact CE1-NE2 3.62Å; Y502-H518 AromaticContact CZ-NE2 3.65Å; Y502-H518 PolarHBondContact OH-CE1 2.99Å; Y502-H518 PolarHBondContact OH-NE2 3.35Å; V511-H518 CarbonylContact O-C 3.46Å; V511-H518 VanDerWaalsContact O-CA 3.26Å; V511-H518 WeakPolarHBondContact O-CA 3.33Å; V511-H518 PolarHBondContact O-CD2 2.88Å; V511-H518 VanDerWaalsContact O-CD2 3.28Å; L512-H518 HydrophobicContact CD1-CB 4.12Å; H518-S520 PolarHBondContact CE1-OG 3.45Å; H518-Y530 WeakPolarHBondContact O-CA 3.43Å; H518-Y530 WeakPolarHBondContact O-CD2 3.31Å; H518-Y531 PolarHBondContact N-O 3.08Å; H518-Y531 AromaticContact ND1-CD2 3.54Å; H518-Y531 PolarHBondContact O-N 3.09Å; H518-Y585 VanDerWaalsContact CE1-CB 3.46Å; H518-Y585 WeakPolarHBondContact CE1-CB 3.49Å
519	M	94.1	Very high	90	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147.9	166.2	-65.6	-179.2	178.2	0	0	112.2	G510 V511 F513 I528 H529 Y530 F540 F549 Q552 V553 L556	G510-M519 CarbonylContact C-O 3.44Å; G510-M519 VanDerWaalsContact CA-O 3.27Å; G510-M519 WeakPolarHBondContact CA-O 3.37Å; V511-M519 PolarHBondContact N-O 3.21Å; V511-M519 PolarHBondContact O-N 3.37Å; F513-M519 HydrophobicContact CE2-CB 4.01Å; F513-M519 HydrophobicContact CE2-CG 3.9Å; F513-M519 HydrophobicContact CE2-SD 4.2Å; F513-M519 HydrophobicContact CZ-SD 4.46Å; M519-I528 HydrophobicContact SD-CG2 4.47Å; M519-H529 CarbonylContact C-O 2.92Å; M519-H529 WeakPolarHBondContact CA-O 3.23Å; M519-H529 WeakPolarHBondContact CB-O 3.43Å; M519-Y530 HydrophobicContact CE-CD2 3.4Å; M519-Y530 HydrophobicContact CE-CE2 4Å; M519-Y530 HydrophobicContact CE-CG 4.07Å; M519-Y530 HydrophobicContact CG-CD2 3.66Å; M519-Y530 HydrophobicContact CG-CG 4.38Å; M519-Y530 HydrophobicContact SD-CD2 4.42Å; M519-F540 HydrophobicContact CE-CZ 4.41Å; M519-F549 HydrophobicContact CE-CB 3.89Å; M519-F549 HydrophobicContact CE-CD1 3.41Å; M519-F549 VanDerWaalsContact CE-CD1 3.41Å; M519-F549 HydrophobicContact CE-CE1 4.11Å; M519-F549 HydrophobicContact CE-CG 3.74Å; M519-Q552 HydrophobicContact CE-CB 3.54Å; M519-Q552 HydrophobicContact CE-CG 4.32Å; M519-Q552 HydrophobicContact SD-CB 3.71Å; M519-V553 HydrophobicContact CE-CG2 4.43Å; M519-V553 HydrophobicContact SD-CG2 3.9Å; M519-L556 HydrophobicContact CB-CD2 3.88Å; M519-L556 HydrophobicContact SD-CD2 4.44Å
520	S	93.9	Very high	89.9	Confident	4 Å²	4	29 Å²	29	3%	0.028	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.8	164.9	-76.4	0	0	0	0	111.6	V509 H518 I528 H529	V509-S520 CarbonylContact O-C 3.59Å; V509-S520 VanDerWaalsContact O-CA 3.27Å; V509-S520 WeakPolarHBondContact O-CA 3.43Å; H518-S520 PolarHBondContact CE1-OG 3.45Å; S520-I528 CarbonylContact O-C 3.56Å; S520-I528 WeakPolarHBondContact O-CA 3.39Å; S520-H529 PolarHBondContact N-O 2.75Å; S520-H529 PolarHBondContact O-N 3.31Å
521	L	93.2	Very high	89.5	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.026	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.2	162.6	179.4	63.9	0	0	0	107.8	V509 I528 T542 L556	V509-L521 PolarHBondContact N-O 2.93Å; V509-L521 PolarHBondContact O-N 2.82Å; L521-I528 HydrophobicContact CD1-CG1 3.98Å; L521-T542 HydrophobicContact CD1-CG2 3.64Å; L521-L556 HydrophobicContact CB-CD1 3.96Å; L521-L556 HydrophobicContact CB-CD2 3.93Å; L521-L556 HydrophobicContact CB-CG 3.89Å
522	L	90.3	Very high	88.4	Confident	16 Å²	16	30.3 Å²	30.3	8%	0.084	15%	0.153	C	C	.	.			trans	-71.9	166.7	-178.1	-62.5	-164.4	0	0	0	112.2	T508 D524 R525 T527	T508-L522 HydrophobicContact CG2-CD2 4.25Å; L522-D524 PolarHBondContact O-N 3.26Å; L522-D524 VanDerWaalsContact O-N 3.13Å; L522-R525 PolarHBondContact O-N 3.28Å; L522-T527 HydrophobicContact CD1-CG2 3.72Å; L522-T527 HydrophobicContact CG-CG2 4.17Å; L522-T527 PolarHBondContact N-O 3.48Å
523	P	86.5	Confident	87.2	Confident	33 Å²	33	36.1 Å²	36.1	21%	0.214	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.3	-178.5	-23.3	36.2	0	0	0	113.6	D506 H507 T508 R525 T577	D506-P523 WeakPolarHBondContact O-CB 3.5Å; D506-P523 WeakPolarHBondContact O-CG 3.49Å; H507-P523 HydrophobicContact CB-CB 4.49Å; T508-P523 WeakPolarHBondContact OG1-CD 3.49Å; P523-R525 PolarHBondContact O-N 2.76Å; P523-T577 HydrophobicContact CB-CG2 4.48Å
524	D	84.1	Confident	85.9	Confident	68 Å²	68	38.2 Å²	38.2	36%	0.364	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-9.8	173.5	71.1	-2.9	0	0	0	114.1	L522 K526 T527	L522-D524 PolarHBondContact O-N 3.26Å; L522-D524 VanDerWaalsContact O-N 3.13Å; D524-K526 HydrophobicContact CB-CB 4.45Å; D524-K526 WeakPolarHBondContact O-CG 3.27Å; D524-K526 PolarHBondContact O-N 3.09Å; D524-K526 VanDerWaalsContact O-N 3.08Å; D524-K526 PolarHBondContact OD1-N 3.27Å; D524-T527 PolarHBondContact OD1-N 3.44Å; D524-T527 VanDerWaalsContact OD2-CB 3.29Å; D524-T527 WeakPolarHBondContact OD2-CB 3.26Å; D524-T527 PolarHBondContact OD2-N 2.96Å; D524-T527 PolarHBondContact OD2-OG1 3.43Å
525	R	85.1	Confident	84.6	Confident	72 Å²	72	37.7 Å²	37.7	27%	0.272	20%	0.203	S	C	.	.	S	Bend	trans	52.8	21.1	-172.7	-59.2	-65.7	-168.8	-121.8	8.3	113.7	H507 L522 P523 S560 E564	H507-R525 PolarHBondContact O-NH1 3.39Å; L522-R525 PolarHBondContact O-N 3.28Å; P523-R525 PolarHBondContact O-N 2.76Å; R525-S560 VanDerWaalsContact CZ-OG 3.31Å; R525-S560 PolarHBondContact NE-OG 3.3Å; R525-S560 PolarHBondContact NH2-OG 2.87Å; R525-E564 IonicContact CZ-OE2 2.66Å; R525-E564 IonicContact NE-OE2 3.43Å; R525-E564 PolarHBondContact NE-OE2 3.03Å; R525-E564 IonicContact NH2-OE2 3.44Å; R525-E564 PolarHBondContact NH2-OE2 2.84Å
526	K	86.1	Confident	83.8	Confident	141 Å²	141	39 Å²	39	61%	0.613	21%	0.207	S	C	*	.	S	Bend	trans	-128.2	-28.4	-173.2	-73.2	169	-174.6	174.7	0	113.8	D524 P541 T542	D524-K526 HydrophobicContact CB-CB 4.45Å; D524-K526 WeakPolarHBondContact O-CG 3.27Å; D524-K526 PolarHBondContact O-N 3.09Å; D524-K526 VanDerWaalsContact O-N 3.08Å; D524-K526 PolarHBondContact OD1-N 3.27Å; K526-P541 CarbonylContact O-C 3.58Å; K526-P541 VanDerWaalsContact O-CA 3.25Å; K526-P541 WeakPolarHBondContact O-CA 3.48Å; K526-T542 WeakPolarHBondContact CA-OG1 3.29Å; K526-T542 WeakPolarHBondContact O-CG2 3.27Å; K526-T542 PolarHBondContact O-N 2.84Å; K526-T542 PolarHBondContact O-OG1 3.04Å
527	T	90	Very high	83.7	Confident	38 Å²	38	45.8 Å²	45.8	23%	0.233	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.8	-176.5	-57.9	0	0	0	0	110.7	L522 D524 V539	L522-T527 HydrophobicContact CD1-CG2 3.72Å; L522-T527 HydrophobicContact CG-CG2 4.17Å; L522-T527 PolarHBondContact N-O 3.48Å; D524-T527 PolarHBondContact OD1-N 3.44Å; D524-T527 VanDerWaalsContact OD2-CB 3.29Å; D524-T527 WeakPolarHBondContact OD2-CB 3.26Å; D524-T527 PolarHBondContact OD2-N 2.96Å; D524-T527 PolarHBondContact OD2-OG1 3.43Å; T527-V539 HydrophobicContact CG2-CG1 3.92Å
528	I	92.1	Very high	83.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.8	174.9	-61.3	164.8	0	0	0	109.3	M519 S520 L521 V539 F540 T542 V545 V553 L556	M519-I528 HydrophobicContact SD-CG2 4.47Å; S520-I528 CarbonylContact O-C 3.56Å; S520-I528 WeakPolarHBondContact O-CA 3.39Å; L521-I528 HydrophobicContact CD1-CG1 3.98Å; I528-V539 WeakPolarHBondContact O-CA 3.37Å; I528-F540 HydrophobicContact CB-CD2 4.01Å; I528-F540 HydrophobicContact CB-CE2 3.75Å; I528-F540 HydrophobicContact CB-CZ 4.38Å; I528-F540 WeakPolarHBondContact CB-O 3.33Å; I528-F540 HydrophobicContact CD1-CD2 4.25Å; I528-F540 HydrophobicContact CD1-CE2 3.86Å; I528-F540 HydrophobicContact CG1-CE2 4.43Å; I528-F540 HydrophobicContact CG2-CD2 4.33Å; I528-F540 HydrophobicContact CG2-CE2 3.6Å; I528-F540 HydrophobicContact CG2-CZ 3.8Å; I528-F540 PolarHBondContact N-O 3.44Å; I528-F540 PolarHBondContact O-N 3.18Å; I528-F540 VanDerWaalsContact O-N 3.07Å; I528-T542 HydrophobicContact CD1-CG2 3.76Å; I528-T542 HydrophobicContact CG1-CG2 3.87Å; I528-V545 HydrophobicContact CD1-CG2 4.3Å; I528-V553 HydrophobicContact CD1-CB 4.24Å; I528-V553 HydrophobicContact CD1-CG1 3.42Å; I528-V553 VanDerWaalsContact CD1-CG1 3.42Å; I528-V553 HydrophobicContact CD1-CG2 3.75Å; I528-L556 HydrophobicContact CD1-CD2 4.44Å; I528-L556 HydrophobicContact CG1-CD2 4.18Å; I528-L556 HydrophobicContact CG2-CD2 3.95Å
529	H	91.8	Very high	83.3	Confident	13 Å²	13	51 Å²	51	6%	0.06	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.2	162.5	-69.3	-168.1	0	0	0	109	M519 S520 Y531 S538	M519-H529 CarbonylContact C-O 2.92Å; M519-H529 WeakPolarHBondContact CA-O 3.23Å; M519-H529 WeakPolarHBondContact CB-O 3.43Å; S520-H529 PolarHBondContact N-O 2.75Å; S520-H529 PolarHBondContact O-N 3.31Å; H529-Y531 HydrophobicContact CB-CD2 4.47Å; H529-Y531 HydrophobicContact CB-CE2 3.63Å; H529-Y531 PolarHBondContact ND1-OH 2.94Å; H529-S538 WeakPolarHBondContact CA-O 3.39Å
530	Y	90.4	Very high	83.1	Confident	26 Å²	26	52 Å²	52	10%	0.102	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139.9	170.7	167	-106.1	0	0	0	109.7	T517 H518 M519 A532 R537 S538 F549	T517-Y530 HydrophobicContact CG2-CE2 4.26Å; T517-Y530 WeakPolarHBondContact CG2-OH 3.37Å; H518-Y530 WeakPolarHBondContact O-CA 3.43Å; H518-Y530 WeakPolarHBondContact O-CD2 3.31Å; M519-Y530 HydrophobicContact CE-CD2 3.4Å; M519-Y530 HydrophobicContact CE-CE2 4Å; M519-Y530 HydrophobicContact CE-CG 4.07Å; M519-Y530 HydrophobicContact CG-CD2 3.66Å; M519-Y530 HydrophobicContact CG-CG 4.38Å; M519-Y530 HydrophobicContact SD-CD2 4.42Å; Y530-A532 HydrophobicContact CE1-CB 3.71Å; Y530-A532 WeakPolarHBondContact OH-CB 3.44Å; Y530-R537 CarbonylContact O-C 3.57Å; Y530-R537 VanDerWaalsContact O-CA 3.3Å; Y530-R537 WeakPolarHBondContact O-CA 3.34Å; Y530-S538 PolarHBondContact N-O 2.91Å; Y530-S538 PolarHBondContact O-N 3.4Å; Y530-F549 AromaticContact CD1-CE1 3.87Å; Y530-F549 HydrophobicContact CD1-CE1 3.87Å; Y530-F549 HydrophobicContact CD1-CE2 4.09Å; Y530-F549 AromaticContact CD1-CZ 3.42Å; Y530-F549 HydrophobicContact CD1-CZ 3.42Å; Y530-F549 VanDerWaalsContact CD1-CZ 3.42Å; Y530-F549 HydrophobicContact CD2-CD1 4.46Å; Y530-F549 AromaticContact CD2-CE1 3.98Å; Y530-F549 HydrophobicContact CD2-CE1 3.98Å; Y530-F549 HydrophobicContact CD2-CZ 4.34Å; Y530-F549 AromaticContact CE1-CE1 3.57Å; Y530-F549 HydrophobicContact CE1-CE1 3.57Å; Y530-F549 HydrophobicContact CE1-CE2 4.37Å; Y530-F549 AromaticContact CE1-CZ 3.31Å; Y530-F549 HydrophobicContact CE1-CZ 3.31Å; Y530-F549 HydrophobicContact CE2-CD1 4.35Å; Y530-F549 AromaticContact CE2-CE1 3.66Å; Y530-F549 HydrophobicContact CE2-CE1 3.66Å; Y530-F549 HydrophobicContact CE2-CZ 4.23Å; Y530-F549 HydrophobicContact CG-CE1 4.06Å; Y530-F549 HydrophobicContact CG-CE2 4.46Å; Y530-F549 AromaticContact CG-CZ 3.95Å; Y530-F549 HydrophobicContact CG-CZ 3.95Å; Y530-F549 AromaticContact CZ-CE1 3.44Å; Y530-F549 VanDerWaalsContact CZ-CE1 3.44Å; Y530-F549 AromaticContact CZ-CZ 3.74Å
531	Y	86.4	Confident	82.8	Confident	12 Å²	12	54 Å²	54	5%	0.047	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	109.3	178.1	-57	-96.3	0	0	0	108	H518 H529 Q536 R537 Y585	H518-Y531 PolarHBondContact N-O 3.08Å; H518-Y531 AromaticContact ND1-CD2 3.54Å; H518-Y531 PolarHBondContact O-N 3.09Å; H529-Y531 HydrophobicContact CB-CD2 4.47Å; H529-Y531 HydrophobicContact CB-CE2 3.63Å; H529-Y531 PolarHBondContact ND1-OH 2.94Å; Y531-Q536 WeakPolarHBondContact CA-O 3.45Å; Y531-R537 HydrophobicContact CD1-CB 3.99Å; Y531-R537 HydrophobicContact CD1-CG 4.19Å; Y531-R537 HydrophobicContact CE1-CB 3.81Å; Y531-R537 HydrophobicContact CE1-CG 3.73Å; Y531-Y585 HydrophobicContact CD1-CD1 4.27Å; Y531-Y585 HydrophobicContact CD1-CE1 4.13Å; Y531-Y585 HydrophobicContact CD1-CE2 4.36Å; Y531-Y585 HydrophobicContact CD1-CG 4.47Å; Y531-Y585 HydrophobicContact CD2-CG 4.45Å; Y531-Y585 AromaticContact CE1-CD1 3.82Å; Y531-Y585 HydrophobicContact CE1-CD1 3.82Å; Y531-Y585 AromaticContact CE1-CE1 3.78Å; Y531-Y585 HydrophobicContact CE1-CE1 3.78Å; Y531-Y585 HydrophobicContact CE1-CG 4.37Å; Y531-Y585 HydrophobicContact CE2-CD1 4.38Å; Y531-Y585 HydrophobicContact CE2-CG 4.38Å; Y531-Y585 HydrophobicContact CG-CD2 4.46Å; Y531-Y585 HydrophobicContact CG-CG 4.5Å; Y531-Y585 AromaticContact CZ-CD1 3.89Å
532	A	73.1	Confident	82.3	Confident	16 Å²	16	55 Å²	55	13%	0.132	29%	0.29	C	S	.	.	S	Bend	trans	-75.9	-47.7	175.4	0	0	0	0	0	110.8	Y530 Q536	Y530-A532 HydrophobicContact CE1-CB 3.71Å; Y530-A532 WeakPolarHBondContact OH-CB 3.44Å; A532-Q536 PolarHBondContact N-O 2.72Å
533	E	68.4	Low	81.9	Confident	125 Å²	125	59.2 Å²	59.2	58%	0.584	32%	0.319	S	S	*	.	S	Bend	trans	-138.7	166.9	-175.9	-66.4	173	-167.6	0	0	108.6	G535 Q536	E533-G535 PolarHBondContact O-N 2.97Å; E533-G535 VanDerWaalsContact O-N 3.12Å; E533-Q536 PolarHBondContact O-N 3.38Å; E533-Q536 VanDerWaalsContact O-N 3.09Å
534	L	62.9	Low	82	Confident	59 Å²	59	64.7 Å²	64.7	31%	0.309	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	117.6	178.2	-87	136.7	0	0	0	111.7	L437 T451 Q536 L587	L437-L534 HydrophobicContact CD2-CG 4.18Å; T451-L534 HydrophobicContact CG2-CD2 3.95Å; L534-Q536 VanDerWaalsContact C-N 3.32Å; L534-Q536 PolarHBondContact O-N 3.19Å; L534-L587 HydrophobicContact CD2-CD1 4.38Å; L534-L587 HydrophobicContact CD2-CD2 3.73Å; L534-L587 HydrophobicContact CG-CD2 4.42Å
535	G	57.6	Low	82	Confident	63 Å²	63	62.9 Å²	62.9	65%	0.649	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-19.4	-179.8	0	0	0	0	0	116	E533 R537	E533-G535 PolarHBondContact O-N 2.97Å; E533-G535 VanDerWaalsContact O-N 3.12Å; G535-R537 PolarHBondContact O-N 2.88Å; G535-R537 VanDerWaalsContact O-N 3.08Å
536	Q	66.6	Low	82	Confident	112 Å²	112	61.4 Å²	61.4	52%	0.523	33%	0.333	S	S	.	.			trans	-82.7	89.4	178.6	-166.2	-172.9	67.6	0	0	111.2	Y531 A532 E533 L534	Y531-Q536 WeakPolarHBondContact CA-O 3.45Å; A532-Q536 PolarHBondContact N-O 2.72Å; E533-Q536 PolarHBondContact O-N 3.38Å; E533-Q536 VanDerWaalsContact O-N 3.09Å; L534-Q536 VanDerWaalsContact C-N 3.32Å; L534-Q536 PolarHBondContact O-N 3.19Å
537	R	81.6	Confident	81.7	Confident	145 Å²	145	62 Å²	62	55%	0.547	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.9	-179.7	-174	-172.2	65.5	179.1	-0.3	113.2	Y530 Y531 G535 V539	Y530-R537 CarbonylContact O-C 3.57Å; Y530-R537 VanDerWaalsContact O-CA 3.3Å; Y530-R537 WeakPolarHBondContact O-CA 3.34Å; Y531-R537 HydrophobicContact CD1-CB 3.99Å; Y531-R537 HydrophobicContact CD1-CG 4.19Å; Y531-R537 HydrophobicContact CE1-CB 3.81Å; Y531-R537 HydrophobicContact CE1-CG 3.73Å; G535-R537 PolarHBondContact O-N 2.88Å; G535-R537 VanDerWaalsContact O-N 3.08Å; R537-V539 HydrophobicContact CG-CG2 4.06Å
538	S	86.3	Confident	81.3	Confident	48 Å²	48	66.8 Å²	66.8	34%	0.336	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	151.8	159.4	-52	0	0	0	0	110.9	H529 Y530	H529-S538 WeakPolarHBondContact CA-O 3.39Å; Y530-S538 PolarHBondContact N-O 2.91Å; Y530-S538 PolarHBondContact O-N 3.4Å
539	V	88.8	Confident	80.8	Confident	75 Å²	75	67.7 Å²	67.7	46%	0.455	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.9	176.2	-178.8	0	0	0	0	109	T527 I528 R537	T527-V539 HydrophobicContact CG2-CG1 3.92Å; I528-V539 WeakPolarHBondContact O-CA 3.37Å; R537-V539 HydrophobicContact CG-CG2 4.06Å
540	F	89.6	Confident	80.1	Confident	20 Å²	20	68.5 Å²	68.5	9%	0.088	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	153.3	178.4	47.8	-97.6	0	0	0	111	M519 I528 V545 P546 F549 V553	M519-F540 HydrophobicContact CE-CZ 4.41Å; I528-F540 HydrophobicContact CB-CD2 4.01Å; I528-F540 HydrophobicContact CB-CE2 3.75Å; I528-F540 HydrophobicContact CB-CZ 4.38Å; I528-F540 WeakPolarHBondContact CB-O 3.33Å; I528-F540 HydrophobicContact CD1-CD2 4.25Å; I528-F540 HydrophobicContact CD1-CE2 3.86Å; I528-F540 HydrophobicContact CG1-CE2 4.43Å; I528-F540 HydrophobicContact CG2-CD2 4.33Å; I528-F540 HydrophobicContact CG2-CE2 3.6Å; I528-F540 HydrophobicContact CG2-CZ 3.8Å; I528-F540 PolarHBondContact N-O 3.44Å; I528-F540 PolarHBondContact O-N 3.18Å; I528-F540 VanDerWaalsContact O-N 3.07Å; F540-V545 HydrophobicContact CD2-CG2 4.43Å; F540-V545 HydrophobicContact CE2-CG1 4.24Å; F540-V545 HydrophobicContact CE2-CG2 4.45Å; F540-P546 HydrophobicContact CD1-CG 4.36Å; F540-P546 HydrophobicContact CG-CG 4.49Å; F540-F549 HydrophobicContact CD1-CD2 4.43Å; F540-F549 AromaticContact CE1-CD2 3.52Å; F540-F549 HydrophobicContact CE1-CD2 3.52Å; F540-F549 AromaticContact CE1-CE2 3.83Å; F540-F549 HydrophobicContact CE1-CE2 3.83Å; F540-F549 HydrophobicContact CE1-CG 4.35Å; F540-F549 HydrophobicContact CZ-CB 4.13Å; F540-F549 AromaticContact CZ-CD2 3.66Å; F540-F549 HydrophobicContact CZ-CD2 3.66Å; F540-F549 HydrophobicContact CZ-CE2 4.36Å; F540-F549 HydrophobicContact CZ-CG 4.07Å; F540-V553 HydrophobicContact CE2-CG2 3.89Å; F540-V553 HydrophobicContact CZ-CG2 4.32Å
541	P	88.6	Confident	79.4	Confident	47 Å²	47	69.5 Å²	69.5	31%	0.305	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	156	-179.8	34.3	-34.7	0	0	0	111.9	K526 C543 E544	K526-P541 CarbonylContact O-C 3.58Å; K526-P541 VanDerWaalsContact O-CA 3.25Å; K526-P541 WeakPolarHBondContact O-CA 3.48Å; P541-C543 PolarHBondContact O-N 2.88Å; P541-E544 HydrophobicContact CG-CB 3.83Å; P541-E544 HydrophobicContact CG-CG 4.1Å; P541-E544 CarbonylContact O-C 3.52Å; P541-E544 PolarHBondContact O-N 2.94Å
542	T	82.2	Confident	79.3	Confident	27 Å²	27	70.4 Å²	70.4	17%	0.166	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-10.5	-177.3	51.3	0	0	0	0	115.4	L521 K526 I528 K557	L521-T542 HydrophobicContact CD1-CG2 3.64Å; K526-T542 WeakPolarHBondContact CA-OG1 3.29Å; K526-T542 WeakPolarHBondContact O-CG2 3.27Å; K526-T542 PolarHBondContact O-N 2.84Å; K526-T542 PolarHBondContact O-OG1 3.04Å; I528-T542 HydrophobicContact CD1-CG2 3.76Å; I528-T542 HydrophobicContact CG1-CG2 3.87Å; T542-K557 PolarHBondContact O-NZ 3Å
543	C	82	Confident	79.8	Confident	103 Å²	103	69.8 Å²	69.8	70%	0.696	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-15.5	177.8	52.7	0	0	0	0	114	P541	P541-C543 PolarHBondContact O-N 2.88Å
544	E	88.8	Confident	80.3	Confident	148 Å²	148	65 Å²	65	69%	0.692	36%	0.364	S	S	*	.	S	Bend	trans	-125.7	47.8	-178.9	-57	172.8	-162.9	0	0	109.9	P541 P546	P541-E544 HydrophobicContact CG-CB 3.83Å; P541-E544 HydrophobicContact CG-CG 4.1Å; P541-E544 CarbonylContact O-C 3.52Å; P541-E544 PolarHBondContact O-N 2.94Å; E544-P546 WeakPolarHBondContact O-CD 3.36Å
545	V	83.1	Confident	81.1	Confident	30 Å²	30	62.5 Å²	62.5	18%	0.182	35%	0.351	C	S	.	.			trans	-71.5	123.6	-179.1	179.2	0	0	0	0	109.6	I528 F540 F549 V550 V553	I528-V545 HydrophobicContact CD1-CG2 4.3Å; F540-V545 HydrophobicContact CD2-CG2 4.43Å; F540-V545 HydrophobicContact CE2-CG1 4.24Å; F540-V545 HydrophobicContact CE2-CG2 4.45Å; V545-F549 HydrophobicContact CG1-CB 4.03Å; V545-V550 HydrophobicContact CB-CG2 4.49Å; V545-V550 HydrophobicContact CG1-CG2 4Å; V545-V553 HydrophobicContact CG1-CB 4.04Å; V545-V553 HydrophobicContact CG1-CG1 4.45Å; V545-V553 HydrophobicContact CG1-CG2 3.64Å; V545-V553 HydrophobicContact CG2-CB 4.44Å; V545-V553 HydrophobicContact CG2-CG1 3.95Å; V545-V553 HydrophobicContact CG2-CG2 4.31Å
546	P	86.8	Confident	82.5	Confident	42 Å²	42	59.5 Å²	59.5	27%	0.273	32%	0.32	S	S	.	.			trans	-57.2	139.4	174.2	-25.6	34.9	0	0	0	111.9	F540 E544 H548 F549 V550	F540-P546 HydrophobicContact CD1-CG 4.36Å; F540-P546 HydrophobicContact CG-CG 4.49Å; E544-P546 WeakPolarHBondContact O-CD 3.36Å; P546-H548 PolarHBondContact O-N 2.69Å; P546-F549 HydrophobicContact CB-CD2 3.97Å; P546-F549 HydrophobicContact CG-CD2 3.94Å; P546-F549 HydrophobicContact CG-CE2 4.48Å; P546-F549 PolarHBondContact O-N 3.32Å; P546-V550 PolarHBondContact O-N 3.16Å
547	E	78.1	Confident	83.3	Confident	153 Å²	153	58.2 Å²	58.2	72%	0.715	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-33.8	-168.9	-68.6	-150.9	103.6	0	0	114.5	K371 F549	K371-E547 IonicContact NZ-OE1 3.99Å; K371-E547 PolarHBondContact NZ-OE1 3.01Å; K371-E547 VanDerWaalsContact NZ-OE1 3.14Å; E547-F549 VanDerWaalsContact C-N 3.33Å
548	H	81.8	Confident	83.1	Confident	139 Å²	139	51.8 Å²	51.8	64%	0.644	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-23	178.4	50.2	-95.1	0	0	0	113.8	P546	P546-H548 PolarHBondContact O-N 2.69Å
549	F	83	Confident	82.8	Confident	19 Å²	19	49.5 Å²	49.5	8%	0.083	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-10.7	177.6	-68	-43.2	0	0	0	114	M519 Y530 F540 V545 P546 E547 G551 Q552 V553	M519-F549 HydrophobicContact CE-CB 3.89Å; M519-F549 HydrophobicContact CE-CD1 3.41Å; M519-F549 VanDerWaalsContact CE-CD1 3.41Å; M519-F549 HydrophobicContact CE-CE1 4.11Å; M519-F549 HydrophobicContact CE-CG 3.74Å; Y530-F549 AromaticContact CD1-CE1 3.87Å; Y530-F549 HydrophobicContact CD1-CE1 3.87Å; Y530-F549 HydrophobicContact CD1-CE2 4.09Å; Y530-F549 AromaticContact CD1-CZ 3.42Å; Y530-F549 HydrophobicContact CD1-CZ 3.42Å; Y530-F549 VanDerWaalsContact CD1-CZ 3.42Å; Y530-F549 HydrophobicContact CD2-CD1 4.46Å; Y530-F549 AromaticContact CD2-CE1 3.98Å; Y530-F549 HydrophobicContact CD2-CE1 3.98Å; Y530-F549 HydrophobicContact CD2-CZ 4.34Å; Y530-F549 AromaticContact CE1-CE1 3.57Å; Y530-F549 HydrophobicContact CE1-CE1 3.57Å; Y530-F549 HydrophobicContact CE1-CE2 4.37Å; Y530-F549 AromaticContact CE1-CZ 3.31Å; Y530-F549 HydrophobicContact CE1-CZ 3.31Å; Y530-F549 HydrophobicContact CE2-CD1 4.35Å; Y530-F549 AromaticContact CE2-CE1 3.66Å; Y530-F549 HydrophobicContact CE2-CE1 3.66Å; Y530-F549 HydrophobicContact CE2-CZ 4.23Å; Y530-F549 HydrophobicContact CG-CE1 4.06Å; Y530-F549 HydrophobicContact CG-CE2 4.46Å; Y530-F549 AromaticContact CG-CZ 3.95Å; Y530-F549 HydrophobicContact CG-CZ 3.95Å; Y530-F549 AromaticContact CZ-CE1 3.44Å; Y530-F549 VanDerWaalsContact CZ-CE1 3.44Å; Y530-F549 AromaticContact CZ-CZ 3.74Å; F540-F549 HydrophobicContact CD1-CD2 4.43Å; F540-F549 AromaticContact CE1-CD2 3.52Å; F540-F549 HydrophobicContact CE1-CD2 3.52Å; F540-F549 AromaticContact CE1-CE2 3.83Å; F540-F549 HydrophobicContact CE1-CE2 3.83Å; F540-F549 HydrophobicContact CE1-CG 4.35Å; F540-F549 HydrophobicContact CZ-CB 4.13Å; F540-F549 AromaticContact CZ-CD2 3.66Å; F540-F549 HydrophobicContact CZ-CD2 3.66Å; F540-F549 HydrophobicContact CZ-CE2 4.36Å; F540-F549 HydrophobicContact CZ-CG 4.07Å; V545-F549 HydrophobicContact CG1-CB 4.03Å; P546-F549 HydrophobicContact CB-CD2 3.97Å; P546-F549 HydrophobicContact CG-CD2 3.94Å; P546-F549 HydrophobicContact CG-CE2 4.48Å; P546-F549 PolarHBondContact O-N 3.32Å; E547-F549 VanDerWaalsContact C-N 3.33Å; F549-G551 VanDerWaalsContact C-N 3.3Å; F549-G551 PolarHBondContact O-N 2.99Å; F549-Q552 PolarHBondContact O-N 3.4Å; F549-V553 HydrophobicContact CB-CG2 4.29Å; F549-V553 WeakPolarHBondContact O-CG2 3.3Å; F549-V553 PolarHBondContact O-N 2.82Å
550	V	77.1	Confident	82.7	Confident	30 Å²	30	46.1 Å²	46.1	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-50.8	-46.5	-174.9	174.5	0	0	0	0	112.3	E375 V545 P546 Q552 V553 T554	E375-V550 WeakPolarHBondContact OE1-CG1 3.45Å; V545-V550 HydrophobicContact CB-CG2 4.49Å; V545-V550 HydrophobicContact CG1-CG2 4Å; P546-V550 PolarHBondContact O-N 3.16Å; V550-Q552 PolarHBondContact O-N 3.48Å; V550-V553 PolarHBondContact O-N 3.46Å; V550-T554 WeakPolarHBondContact O-CB 3.43Å; V550-T554 PolarHBondContact O-N 2.79Å; V550-T554 PolarHBondContact O-OG1 2.8Å; V550-T554 VanDerWaalsContact O-OG1 3.07Å
551	G	75.8	Confident	82.1	Confident	46 Å²	46	49.2 Å²	49.2	47%	0.474	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-43	178.1	0	0	0	0	0	113.9	F549 T554 V555	F549-G551 VanDerWaalsContact C-N 3.3Å; F549-G551 PolarHBondContact O-N 2.99Å; G551-T554 PolarHBondContact O-N 2.99Å; G551-V555 WeakPolarHBondContact O-CG2 3.39Å; G551-V555 PolarHBondContact O-N 2.99Å; G551-V555 VanDerWaalsContact O-N 3.11Å
552	Q	84.2	Confident	81.4	Confident	31 Å²	31	47.9 Å²	47.9	15%	0.145	26%	0.255	C	S	.	.	H	α-helix	trans	-67.9	-39.5	176.9	-69.4	-173.7	-90.6	0	0	111.6	F513 T517 M519 F549 V550 T554 V555 L556	F513-Q552 HydrophobicContact CD1-CG 4.23Å; F513-Q552 HydrophobicContact CE1-CB 3.92Å; F513-Q552 HydrophobicContact CE1-CG 3.95Å; F513-Q552 HydrophobicContact CE2-CB 4.13Å; F513-Q552 HydrophobicContact CE2-CG 4.4Å; F513-Q552 HydrophobicContact CZ-CB 3.63Å; F513-Q552 HydrophobicContact CZ-CG 4.05Å; F513-Q552 WeakPolarHBondContact CZ-O 3.46Å; T517-Q552 PolarHBondContact OG1-NE2 3.46Å; M519-Q552 HydrophobicContact CE-CB 3.54Å; M519-Q552 HydrophobicContact CE-CG 4.32Å; M519-Q552 HydrophobicContact SD-CB 3.71Å; F549-Q552 PolarHBondContact O-N 3.4Å; V550-Q552 PolarHBondContact O-N 3.48Å; Q552-T554 VanDerWaalsContact C-N 3.33Å; Q552-T554 PolarHBondContact O-N 3.28Å; Q552-V555 PolarHBondContact O-N 2.83Å; Q552-L556 WeakPolarHBondContact O-CB 3.32Å; Q552-L556 PolarHBondContact O-N 2.84Å
553	V	83.7	Confident	81.3	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.018	25%	0.248	C	C	.	.	H	α-helix	trans	-67.2	-34.4	175.9	174.4	0	0	0	0	112	M519 I528 F540 V545 F549 V550 L556 K557	M519-V553 HydrophobicContact CE-CG2 4.43Å; M519-V553 HydrophobicContact SD-CG2 3.9Å; I528-V553 HydrophobicContact CD1-CB 4.24Å; I528-V553 HydrophobicContact CD1-CG1 3.42Å; I528-V553 VanDerWaalsContact CD1-CG1 3.42Å; I528-V553 HydrophobicContact CD1-CG2 3.75Å; F540-V553 HydrophobicContact CE2-CG2 3.89Å; F540-V553 HydrophobicContact CZ-CG2 4.32Å; V545-V553 HydrophobicContact CG1-CB 4.04Å; V545-V553 HydrophobicContact CG1-CG1 4.45Å; V545-V553 HydrophobicContact CG1-CG2 3.64Å; V545-V553 HydrophobicContact CG2-CB 4.44Å; V545-V553 HydrophobicContact CG2-CG1 3.95Å; V545-V553 HydrophobicContact CG2-CG2 4.31Å; F549-V553 HydrophobicContact CB-CG2 4.29Å; F549-V553 WeakPolarHBondContact O-CG2 3.3Å; F549-V553 PolarHBondContact O-N 2.82Å; V550-V553 PolarHBondContact O-N 3.46Å; V553-L556 PolarHBondContact O-N 3.22Å; V553-K557 HydrophobicContact CG1-CD 4.06Å; V553-K557 HydrophobicContact CG1-CG 4.27Å; V553-K557 WeakPolarHBondContact O-CB 3.37Å; V553-K557 WeakPolarHBondContact O-CG 3.47Å; V553-K557 PolarHBondContact O-N 2.79Å
554	T	78.1	Confident	81.2	Confident	26 Å²	26	46.8 Å²	46.8	16%	0.16	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-44.2	172.2	-67.7	0	0	0	0	111.1	I379 V550 G551 Q552 L556 Y558	I379-T554 HydrophobicContact CD1-CG2 3.88Å; I379-T554 HydrophobicContact CG1-CG2 3.56Å; V550-T554 WeakPolarHBondContact O-CB 3.43Å; V550-T554 PolarHBondContact O-N 2.79Å; V550-T554 PolarHBondContact O-OG1 2.8Å; V550-T554 VanDerWaalsContact O-OG1 3.07Å; G551-T554 PolarHBondContact O-N 2.99Å; Q552-T554 VanDerWaalsContact C-N 3.33Å; Q552-T554 PolarHBondContact O-N 3.28Å; T554-L556 PolarHBondContact O-N 2.88Å; T554-Y558 WeakPolarHBondContact O-CB 3.35Å; T554-Y558 PolarHBondContact O-N 3.38Å
555	V	80.2	Confident	80.3	Confident	6 Å²	6	46.5 Å²	46.5	4%	0.036	24%	0.237	C	C	.	.	H	α-helix	trans	-60.9	-43.3	172.6	174.7	0	0	0	0	111.7	L382 Y498 F513 G551 Q552 Y558 F559	L382-V555 HydrophobicContact CD1-CG2 4.15Å; Y498-V555 HydrophobicContact CD1-CG2 3.57Å; Y498-V555 HydrophobicContact CE1-CG2 3.89Å; Y498-V555 HydrophobicContact CG-CG1 4.37Å; Y498-V555 HydrophobicContact CG-CG2 4.06Å; F513-V555 HydrophobicContact CE1-CB 3.97Å; F513-V555 HydrophobicContact CE1-CG1 3.88Å; G551-V555 WeakPolarHBondContact O-CG2 3.39Å; G551-V555 PolarHBondContact O-N 2.99Å; G551-V555 VanDerWaalsContact O-N 3.11Å; Q552-V555 PolarHBondContact O-N 2.83Å; V555-Y558 PolarHBondContact O-N 2.86Å; V555-F559 HydrophobicContact CG1-CD1 4.41Å; V555-F559 HydrophobicContact CG1-CD2 4.4Å; V555-F559 HydrophobicContact CG1-CE1 4.09Å; V555-F559 HydrophobicContact CG1-CE2 4.09Å; V555-F559 HydrophobicContact CG1-CZ 3.89Å; V555-F559 PolarHBondContact O-N 3.07Å
556	L	86.8	Confident	79.4	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-52.1	178.6	172.5	67	0	0	0	112.4	V509 V511 M519 L521 I528 Q552 V553 T554 Y558 F559 S560	V509-L556 HydrophobicContact CG1-CD1 4.28Å; V509-L556 WeakPolarHBondContact O-CD1 3.08Å; V511-L556 HydrophobicContact CG2-CB 4.34Å; V511-L556 HydrophobicContact CG2-CD1 3.78Å; M519-L556 HydrophobicContact CB-CD2 3.88Å; M519-L556 HydrophobicContact SD-CD2 4.44Å; L521-L556 HydrophobicContact CB-CD1 3.96Å; L521-L556 HydrophobicContact CB-CD2 3.93Å; L521-L556 HydrophobicContact CB-CG 3.89Å; I528-L556 HydrophobicContact CD1-CD2 4.44Å; I528-L556 HydrophobicContact CG1-CD2 4.18Å; I528-L556 HydrophobicContact CG2-CD2 3.95Å; Q552-L556 WeakPolarHBondContact O-CB 3.32Å; Q552-L556 PolarHBondContact O-N 2.84Å; V553-L556 PolarHBondContact O-N 3.22Å; T554-L556 PolarHBondContact O-N 2.88Å; L556-Y558 VanDerWaalsContact C-N 3.28Å; L556-Y558 PolarHBondContact O-N 2.83Å; L556-F559 PolarHBondContact O-N 3.09Å; L556-S560 PolarHBondContact O-N 3.09Å
557	K	82.5	Confident	78.7	Confident	85 Å²	85	49.5 Å²	49.5	37%	0.37	25%	0.25	S	C	.	.	H	α-helix	trans	-59.9	-40.5	175.3	-73	176.1	179	176.6	0	111	T542 V553 S560 H561	T542-K557 PolarHBondContact O-NZ 3Å; V553-K557 HydrophobicContact CG1-CD 4.06Å; V553-K557 HydrophobicContact CG1-CG 4.27Å; V553-K557 WeakPolarHBondContact O-CB 3.37Å; V553-K557 WeakPolarHBondContact O-CG 3.47Å; V553-K557 PolarHBondContact O-N 2.79Å; K557-S560 WeakPolarHBondContact O-CB 3.32Å; K557-S560 PolarHBondContact O-N 2.69Å; K557-H561 PolarHBondContact O-N 3.01Å
558	Y	76.9	Confident	78.3	Confident	9 Å²	9	49.2 Å²	49.2	4%	0.035	25%	0.25	C	C	.	.	H	α-helix	trans	-64.7	-46.7	177.8	169	-92.7	0	0	0	112.8	I379 L382 Q383 L386 T554 V555 L556 S560 H561 Y562	I379-Y558 HydrophobicContact CG2-CD2 4.22Å; L382-Y558 HydrophobicContact CB-CD1 3.71Å; L382-Y558 HydrophobicContact CB-CD2 4.14Å; L382-Y558 HydrophobicContact CB-CE1 3.6Å; L382-Y558 HydrophobicContact CB-CE2 4.02Å; L382-Y558 HydrophobicContact CB-CG 4.02Å; L382-Y558 HydrophobicContact CD1-CD1 3.83Å; L382-Y558 HydrophobicContact CD1-CG 3.98Å; L382-Y558 HydrophobicContact CD2-CD1 3.66Å; L382-Y558 HydrophobicContact CD2-CE1 3.75Å; L382-Y558 HydrophobicContact CG-CD1 3.94Å; L382-Y558 HydrophobicContact CG-CE1 4.16Å; L382-Y558 HydrophobicContact CG-CG 4.42Å; Q383-Y558 VanDerWaalsContact CA-OH 3.25Å; Q383-Y558 WeakPolarHBondContact CA-OH 3.4Å; Q383-Y558 HydrophobicContact CB-CE2 4.1Å; Q383-Y558 HydrophobicContact CG-CE2 3.99Å; Q383-Y558 PolarHBondContact N-OH 2.93Å; L386-Y558 HydrophobicContact CD2-CE1 3.93Å; L386-Y558 WeakPolarHBondContact CD2-OH 3.33Å; T554-Y558 WeakPolarHBondContact O-CB 3.35Å; T554-Y558 PolarHBondContact O-N 3.38Å; V555-Y558 PolarHBondContact O-N 2.86Å; L556-Y558 VanDerWaalsContact C-N 3.28Å; L556-Y558 PolarHBondContact O-N 2.83Å; Y558-S560 VanDerWaalsContact C-N 3.31Å; Y558-S560 PolarHBondContact O-N 2.81Å; Y558-H561 PolarHBondContact O-N 3.23Å; Y558-Y562 PolarHBondContact O-N 2.85Å
559	F	81	Confident	77.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-38.2	174.9	-77.1	2.1	0	0	0	111.6	L382 Y494 V511 V555 L556 Y562 M563	L382-F559 HydrophobicContact CD2-CE1 4.02Å; Y494-F559 HydrophobicContact CG-CE1 4.45Å; Y494-F559 HydrophobicContact CG-CZ 4.3Å; V511-F559 HydrophobicContact CB-CD2 4.44Å; V511-F559 HydrophobicContact CG1-CD2 4.05Å; V511-F559 HydrophobicContact CG1-CE2 3.81Å; V511-F559 HydrophobicContact CG2-CB 4.44Å; V511-F559 HydrophobicContact CG2-CD2 3.56Å; V511-F559 HydrophobicContact CG2-CE2 4.21Å; V511-F559 HydrophobicContact CG2-CG 4.38Å; V555-F559 HydrophobicContact CG1-CD1 4.41Å; V555-F559 HydrophobicContact CG1-CD2 4.4Å; V555-F559 HydrophobicContact CG1-CE1 4.09Å; V555-F559 HydrophobicContact CG1-CE2 4.09Å; V555-F559 HydrophobicContact CG1-CZ 3.89Å; V555-F559 PolarHBondContact O-N 3.07Å; L556-F559 PolarHBondContact O-N 3.09Å; F559-Y562 PolarHBondContact O-N 3.36Å; F559-M563 HydrophobicContact CB-CE 4.32Å; F559-M563 WeakPolarHBondContact O-CB 3.43Å; F559-M563 WeakPolarHBondContact O-CG 3.46Å; F559-M563 PolarHBondContact O-N 3.45Å
560	S	86.1	Confident	76.4	Confident	4 Å²	4	48 Å²	48	3%	0.028	26%	0.255	C	S	.	.	H	α-helix	trans	-56.9	-55.8	173.9	-171.3	0	0	0	0	111.2	R525 L556 K557 Y558 Y562 M563 E564	R525-S560 VanDerWaalsContact CZ-OG 3.31Å; R525-S560 PolarHBondContact NE-OG 3.3Å; R525-S560 PolarHBondContact NH2-OG 2.87Å; L556-S560 PolarHBondContact O-N 3.09Å; K557-S560 WeakPolarHBondContact O-CB 3.32Å; K557-S560 PolarHBondContact O-N 2.69Å; Y558-S560 VanDerWaalsContact C-N 3.31Å; Y558-S560 PolarHBondContact O-N 2.81Å; S560-Y562 VanDerWaalsContact C-N 3.35Å; S560-Y562 PolarHBondContact O-N 2.95Å; S560-M563 PolarHBondContact O-N 2.97Å; S560-E564 WeakPolarHBondContact O-CB 3.36Å; S560-E564 PolarHBondContact O-N 2.9Å
561	H	78.4	Confident	75.4	Confident	85 Å²	85	49.1 Å²	49.1	39%	0.394	27%	0.273	S	S	.	.	H	α-helix	trans	-61.8	-39.2	-178.9	177.4	48	0	0	0	112.7	K557 Y558 E564 E565	K557-H561 PolarHBondContact O-N 3.01Å; Y558-H561 PolarHBondContact O-N 3.23Å; H561-E564 PolarHBondContact O-N 3.45Å; H561-E565 IonicContact CE1-OE1 3.08Å; H561-E565 PolarHBondContact CE1-OE1 3.09Å; H561-E565 VanDerWaalsContact CE1-OE1 3.27Å; H561-E565 IonicContact CE1-OE2 3.31Å; H561-E565 IonicContact ND1-OE1 2.95Å; H561-E565 PolarHBondContact O-N 2.96Å
562	Y	72.1	Confident	74.5	Confident	19 Å²	19	48.6 Å²	48.6	8%	0.075	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-47.1	175.3	175.9	-93.9	0	0	0	112.7	L386 V492 Y558 F559 S560 E564 E565 N566 L567	L386-Y562 HydrophobicContact CB-CE2 4.38Å; L386-Y562 HydrophobicContact CD2-CD1 3.38Å; L386-Y562 HydrophobicContact CD2-CD2 3.49Å; L386-Y562 VanDerWaalsContact CD2-CD2 3.49Å; L386-Y562 HydrophobicContact CD2-CE1 3.55Å; L386-Y562 HydrophobicContact CD2-CE2 3.64Å; L386-Y562 HydrophobicContact CD2-CG 3.32Å; L386-Y562 HydrophobicContact CG-CD1 4.22Å; L386-Y562 HydrophobicContact CG-CD2 4.16Å; L386-Y562 HydrophobicContact CG-CE1 3.88Å; L386-Y562 HydrophobicContact CG-CE2 3.78Å; L386-Y562 HydrophobicContact CG-CG 4.34Å; V492-Y562 HydrophobicContact CG2-CD1 3.94Å; V492-Y562 HydrophobicContact CG2-CE1 3.98Å; Y558-Y562 PolarHBondContact O-N 2.85Å; F559-Y562 PolarHBondContact O-N 3.36Å; S560-Y562 VanDerWaalsContact C-N 3.35Å; S560-Y562 PolarHBondContact O-N 2.95Å; Y562-E564 PolarHBondContact O-N 2.78Å; Y562-E565 PolarHBondContact O-N 3.21Å; Y562-N566 HydrophobicContact CD1-CB 4.44Å; Y562-N566 HydrophobicContact CD2-CB 3.74Å; Y562-N566 VanDerWaalsContact CD2-CG 3.5Å; Y562-N566 WeakPolarHBondContact CD2-ND2 3.46Å; Y562-N566 HydrophobicContact CE1-CB 4.19Å; Y562-N566 HydrophobicContact CE2-CB 3.45Å; Y562-N566 VanDerWaalsContact CE2-CB 3.45Å; Y562-N566 VanDerWaalsContact CE2-CG 3.47Å; Y562-N566 HydrophobicContact CG-CB 4.26Å; Y562-N566 VanDerWaalsContact O-CB 3.27Å; Y562-N566 WeakPolarHBondContact O-CB 3.41Å; Y562-N566 PolarHBondContact O-N 3.02Å; Y562-N566 PolarHBondContact O-ND2 3.38Å; Y562-L567 HydrophobicContact CE1-CD1 4.34Å; Y562-L567 HydrophobicContact CE1-CG 4.23Å
563	M	81.4	Confident	73.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-25.3	179.4	-67.5	-169.9	-73.4	0	0	112.4	K490 V492 Y502 Q503 V509 F559 S560 L567	K490-M563 HydrophobicContact CB-CB 4.35Å; K490-M563 HydrophobicContact CB-CG 4.5Å; K490-M563 HydrophobicContact CB-SD 4.15Å; K490-M563 HydrophobicContact CD-CB 4.26Å; K490-M563 WeakPolarHBondContact CD-O 3.29Å; K490-M563 PolarHBondContact NZ-O 3.25Å; V492-M563 HydrophobicContact CG2-CG 3.62Å; V492-M563 HydrophobicContact CG2-SD 3.87Å; Y502-M563 VanDerWaalsContact C-CE 3.45Å; Y502-M563 WeakPolarHBondContact O-CE 3.42Å; Q503-M563 HydrophobicContact CB-CE 4.17Å; Q503-M563 HydrophobicContact CB-SD 4.2Å; V509-M563 HydrophobicContact CB-CE 4.39Å; V509-M563 HydrophobicContact CG1-CE 3.54Å; V509-M563 HydrophobicContact CG2-CE 4.08Å; F559-M563 HydrophobicContact CB-CE 4.32Å; F559-M563 WeakPolarHBondContact O-CB 3.43Å; F559-M563 WeakPolarHBondContact O-CG 3.46Å; F559-M563 PolarHBondContact O-N 3.45Å; S560-M563 PolarHBondContact O-N 2.97Å; M563-L567 HydrophobicContact CB-CD1 4.31Å; M563-L567 HydrophobicContact CG-CD1 3.91Å
564	E	78.5	Confident	71.6	Confident	108 Å²	108	53.6 Å²	53.6	51%	0.505	30%	0.302	S	S	.	.	H	α-helix	trans	-71.8	-50.5	173.6	-153.5	162.4	143.6	0	0	111.4	R525 S560 H561 Y562	R525-E564 IonicContact CZ-OE2 2.66Å; R525-E564 IonicContact NE-OE2 3.43Å; R525-E564 PolarHBondContact NE-OE2 3.03Å; R525-E564 IonicContact NH2-OE2 3.44Å; R525-E564 PolarHBondContact NH2-OE2 2.84Å; S560-E564 WeakPolarHBondContact O-CB 3.36Å; S560-E564 PolarHBondContact O-N 2.9Å; H561-E564 PolarHBondContact O-N 3.45Å; Y562-E564 PolarHBondContact O-N 2.78Å
565	E	70.7	Confident	70.2	Confident	141 Å²	141	56.7 Å²	56.7	66%	0.659	32%	0.321	S	S	*	.	H	α-helix	trans	-86.9	-26.6	-175.5	-68.5	-162.6	166.1	0	0	116	H561 Y562	H561-E565 IonicContact CE1-OE1 3.08Å; H561-E565 PolarHBondContact CE1-OE1 3.09Å; H561-E565 VanDerWaalsContact CE1-OE1 3.27Å; H561-E565 IonicContact CE1-OE2 3.31Å; H561-E565 IonicContact ND1-OE1 2.95Å; H561-E565 PolarHBondContact O-N 2.96Å; Y562-E565 PolarHBondContact O-N 3.21Å
566	N	65.3	Low	68.6	Low	83 Å²	83	62.5 Å²	62.5	44%	0.444	36%	0.357	S	S	.	.	H	α-helix	trans	-112.7	-7.1	-164.3	-62.2	-99.5	0	0	0	114.5	Y562	Y562-N566 HydrophobicContact CD1-CB 4.44Å; Y562-N566 HydrophobicContact CD2-CB 3.74Å; Y562-N566 VanDerWaalsContact CD2-CG 3.5Å; Y562-N566 WeakPolarHBondContact CD2-ND2 3.46Å; Y562-N566 HydrophobicContact CE1-CB 4.19Å; Y562-N566 HydrophobicContact CE2-CB 3.45Å; Y562-N566 VanDerWaalsContact CE2-CB 3.45Å; Y562-N566 VanDerWaalsContact CE2-CG 3.47Å; Y562-N566 HydrophobicContact CG-CB 4.26Å; Y562-N566 VanDerWaalsContact O-CB 3.27Å; Y562-N566 WeakPolarHBondContact O-CB 3.41Å; Y562-N566 PolarHBondContact O-N 3.02Å; Y562-N566 PolarHBondContact O-ND2 3.38Å
567	L	72.1	Confident	66.7	Low	53 Å²	53	67.4 Å²	67.4	28%	0.277	39%	0.387	S	S	.	.	S	Bend	trans	-127	130.6	-176.9	-63	-178.9	0	0	0	110.3	K490 V492 Y562 M563	K490-L567 HydrophobicContact CB-CD1 4.03Å; K490-L567 HydrophobicContact CD-CB 4Å; K490-L567 WeakPolarHBondContact CE-O 3.47Å; K490-L567 PolarHBondContact NZ-O 2.89Å; V492-L567 HydrophobicContact CG2-CD1 4.24Å; Y562-L567 HydrophobicContact CE1-CD1 4.34Å; Y562-L567 HydrophobicContact CE1-CG 4.23Å; M563-L567 HydrophobicContact CB-CD1 4.31Å; M563-L567 HydrophobicContact CG-CD1 3.91Å
568	M	68.7	Low	65.2	Low	146 Å²	146	66.3 Å²	66.3	72%	0.719	39%	0.385	S	S	*	.			trans	-56.5	146.1	176.6	-65.6	177.8	-74.3	0	0	111.9	K490	K490-M568 WeakPolarHBondContact CE-O 3.08Å
569	D	64.7	Low	63.7	Low	107 Å²	107	70.6 Å²	70.6	57%	0.572	42%	0.416	S	S	*	.			trans	-64.6	143.7	176.3	-54.5	-48.9	0	0	0	112.2	K490	K490-D569 WeakPolarHBondContact CE-OD1 3.46Å; K490-D569 IonicContact NZ-OD1 2.59Å; K490-D569 PolarHBondContact NZ-OD1 2.85Å
570	G	59.3	Low	62	Low	25 Å²	25	78.2 Å²	78.2	26%	0.258	45%	0.452	S	S	.	.			trans	-96.1	-2.9	-166.3	0	0	0	0	0	114.7	W487 D572	W487-G570 WeakPolarHBondContact CH2-O 3.43Å; W487-G570 WeakPolarHBondContact CZ2-O 3.34Å; G570-D572 PolarHBondContact N-OD2 2.69Å
571	G	57.3	Low	60.5	Low	54 Å²	54	83.3 Å²	83.3	56%	0.557	48%	0.476	S	S	*	.			trans	89.8	48.1	-159.4	0	0	0	0	0	110.8
572	D	57.4	Low	59.6	Low	35 Å²	35	84.1 Å²	84.1	19%	0.187	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-66.2	150.3	177.2	-52.7	-99	0	0	0	110.8	T489 Q503 H507 G570	T489-D572 WeakPolarHBondContact CB-OD1 3.38Å; T489-D572 WeakPolarHBondContact CG2-OD1 3.44Å; T489-D572 PolarHBondContact OG1-OD1 3Å; Q503-D572 PolarHBondContact NE2-OD1 2.93Å; Q503-D572 VanDerWaalsContact NE2-OD1 3.09Å; H507-D572 VanDerWaalsContact CE1-CB 3.48Å; H507-D572 WeakPolarHBondContact CE1-CB 3.31Å; G570-D572 PolarHBondContact N-OD2 2.69Å
573	L	56.9	Low	59.9	Low	72 Å²	72	85.8 Å²	85.8	38%	0.377	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-87.2	151.3	-175.8	-66.5	173.6	0	0	0	111.5	L485 S505 T575	L485-L573 WeakPolarHBondContact O-CD1 3.32Å; S505-L573 WeakPolarHBondContact O-CB 3.08Å; S505-L573 PolarHBondContact O-N 2.71Å; L573-T575 PolarHBondContact O-N 3.4Å
574	G	50.1	Low	60.1	Low	67 Å²	67	86.4 Å²	86.4	69%	0.691	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-59.4	136	171.1	0	0	0	0	0	111.8	T576	G574-T576 PolarHBondContact O-N 3.46Å
575	T	47.2	Very low	60.6	Low	91 Å²	91	82.3 Å²	82.3	56%	0.558	48%	0.479	S	S	*	.			trans	-70.3	90.2	-169.5	51.7	0	0	0	0	113.9	L573	L573-T575 PolarHBondContact O-N 3.4Å
576	T	47.9	Very low	61.6	Low	129 Å²	129	75.6 Å²	75.6	79%	0.791	45%	0.447	S	S	*	.			trans	-97.1	85.6	163.9	38.5	0	0	0	0	110.9	G574 D578	G574-T576 PolarHBondContact O-N 3.46Å; T576-D578 VanDerWaalsContact C-N 3.29Å; T576-D578 PolarHBondContact O-N 2.87Å
577	T	45.8	Very low	62.8	Low	102 Å²	102	71.7 Å²	71.7	63%	0.626	43%	0.426	S	S	*	.			trans	-75.6	73.9	177.7	53.9	0	0	0	0	112.2	P523	P523-T577 HydrophobicContact CB-CG2 4.48Å
578	D	52.1	Low	63.6	Low	63 Å²	63	69.4 Å²	69.4	34%	0.337	41%	0.414	S	S	.	.			trans	-70.2	127.2	169.3	-174.9	-5.8	0	0	0	110.3	T576 H580 M581 R583	T576-D578 VanDerWaalsContact C-N 3.29Å; T576-D578 PolarHBondContact O-N 2.87Å; D578-H580 VanDerWaalsContact C-N 3.28Å; D578-H580 PolarHBondContact O-N 2.82Å; D578-H580 WeakPolarHBondContact OD1-CB 3.19Å; D578-H580 IonicContact OD1-CD2 3.44Å; D578-H580 PolarHBondContact OD1-CD2 3.38Å; D578-H580 IonicContact OD1-CG 3.56Å; D578-H580 PolarHBondContact OD1-N 2.87Å; D578-M581 HydrophobicContact CB-CG 3.93Å; D578-R583 VanDerWaalsContact O-CZ 3.29Å; D578-R583 PolarHBondContact O-NH1 2.98Å; D578-R583 PolarHBondContact O-NH2 3.34Å
579	S	45.3	Very low	64.8	Low	98 Å²	98	62.7 Å²	62.7	69%	0.685	38%	0.381	S	S	*	.	S	Bend	trans	-70.9	-18.6	175.7	43.1	0	0	0	0	114.1
580	H	44.1	Very low	66	Low	161 Å²	161	57.6 Å²	57.6	75%	0.745	35%	0.354	S	S	*	.	S	Bend	trans	-93.8	-16.7	-174.9	-62.5	-79.9	0	0	0	114.3	D578	D578-H580 VanDerWaalsContact C-N 3.28Å; D578-H580 PolarHBondContact O-N 2.82Å; D578-H580 WeakPolarHBondContact OD1-CB 3.19Å; D578-H580 IonicContact OD1-CD2 3.44Å; D578-H580 PolarHBondContact OD1-CD2 3.38Å; D578-H580 IonicContact OD1-CG 3.56Å; D578-H580 PolarHBondContact OD1-N 2.87Å
581	M	55.7	Low	67.4	Low	110 Å²	110	57.6 Å²	57.6	54%	0.542	35%	0.346	S	S	.	.	S	Bend	trans	-69.4	133.5	-179.1	-72.9	-66.4	166.2	0	0	112.6	D578 R583	D578-M581 HydrophobicContact CB-CG 3.93Å; M581-R583 PolarHBondContact O-N 2.91Å; M581-R583 PolarHBondContact O-NH1 3.07Å
582	P	59.4	Low	69	Low	102 Å²	102	55 Å²	55	66%	0.662	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-51.1	139.7	169.5	-25.8	34.8	0	0	0	111.4
583	R	77.3	Confident	70.3	Confident	55 Å²	55	56.9 Å²	56.9	21%	0.208	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-97	122.2	-179.5	-63.3	-57	-167.5	-113.7	11.5	110.3	D578 M581 N601	D578-R583 VanDerWaalsContact O-CZ 3.29Å; D578-R583 PolarHBondContact O-NH1 2.98Å; D578-R583 PolarHBondContact O-NH2 3.34Å; M581-R583 PolarHBondContact O-N 2.91Å; M581-R583 PolarHBondContact O-NH1 3.07Å; R583-N601 PolarHBondContact O-OD1 2.95Å
584	L	86.1	Confident	71.8	Confident	13 Å²	13	58.3 Å²	58.3	7%	0.068	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-66.3	124.9	174.9	-83	162.3	0	0	0	112.1	Q486 L504 F600 N601 D602	Q486-L584 HydrophobicContact CB-CD1 3.31Å; Q486-L584 HydrophobicContact CG-CD1 4.31Å; L504-L584 HydrophobicContact CD1-CB 3.69Å; L504-L584 HydrophobicContact CD1-CD1 4.3Å; L584-F600 HydrophobicContact CB-CD1 4.13Å; L584-F600 HydrophobicContact CD2-CB 3.55Å; L584-F600 HydrophobicContact CD2-CD1 3.88Å; L584-F600 HydrophobicContact CD2-CG 3.88Å; L584-N601 WeakPolarHBondContact CA-OD1 3.32Å; L584-D602 HydrophobicContact CD2-CB 4.48Å; L584-D602 VanDerWaalsContact CD2-CG 3.45Å; L584-D602 WeakPolarHBondContact CD2-OD1 3.4Å
585	Y	89.4	Confident	73.9	Confident	22 Å²	22	55.1 Å²	55.1	9%	0.086	30%	0.297	C	S	.	.			trans	-130.1	142.4	167.3	63.6	-83	0	0	0	111.3	L437 Y502 H518 Y531 L587 F600 N601	L437-Y585 HydrophobicContact CD2-CD2 4.43Å; L437-Y585 HydrophobicContact CD2-CE2 4.01Å; Y502-Y585 WeakPolarHBondContact OH-CA 3.47Å; H518-Y585 VanDerWaalsContact CE1-CB 3.46Å; H518-Y585 WeakPolarHBondContact CE1-CB 3.49Å; Y531-Y585 HydrophobicContact CD1-CD1 4.27Å; Y531-Y585 HydrophobicContact CD1-CE1 4.13Å; Y531-Y585 HydrophobicContact CD1-CE2 4.36Å; Y531-Y585 HydrophobicContact CD1-CG 4.47Å; Y531-Y585 HydrophobicContact CD2-CG 4.45Å; Y531-Y585 AromaticContact CE1-CD1 3.82Å; Y531-Y585 HydrophobicContact CE1-CD1 3.82Å; Y531-Y585 AromaticContact CE1-CE1 3.78Å; Y531-Y585 HydrophobicContact CE1-CE1 3.78Å; Y531-Y585 HydrophobicContact CE1-CG 4.37Å; Y531-Y585 HydrophobicContact CE2-CD1 4.38Å; Y531-Y585 HydrophobicContact CE2-CG 4.38Å; Y531-Y585 HydrophobicContact CG-CD2 4.46Å; Y531-Y585 HydrophobicContact CG-CG 4.5Å; Y531-Y585 AromaticContact CZ-CD1 3.89Å; Y585-L587 HydrophobicContact CD2-CD2 4.03Å; Y585-L587 HydrophobicContact CE2-CD2 3.6Å; Y585-L587 PolarHBondContact O-N 2.81Å; Y585-F600 VanDerWaalsContact C-CD1 3.45Å; Y585-F600 WeakPolarHBondContact O-CA 3.33Å; Y585-F600 WeakPolarHBondContact O-CD1 3.49Å; Y585-N601 HydrophobicContact CD1-CB 3.76Å; Y585-N601 VanDerWaalsContact CD1-OD1 3.24Å; Y585-N601 WeakPolarHBondContact CD1-OD1 3.49Å; Y585-N601 HydrophobicContact CD2-CB 4.12Å; Y585-N601 HydrophobicContact CE1-CB 3.41Å; Y585-N601 VanDerWaalsContact CE1-CB 3.41Å; Y585-N601 HydrophobicContact CE2-CB 3.81Å; Y585-N601 HydrophobicContact CG-CB 4.1Å; Y585-N601 VanDerWaalsContact CZ-CB 3.45Å; Y585-N601 PolarHBondContact N-OD1 3.47Å; Y585-N601 PolarHBondContact O-N 2.99Å; Y585-N601 VanDerWaalsContact O-N 3.12Å; Y585-N601 PolarHBondContact O-OD1 3.04Å
586	L	92.1	Very high	76.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	117.8	-176.3	-177.4	72.2	0	0	0	109.8	F500 Y502 L512 Q588 W589 M598 F600	F500-L586 HydrophobicContact CD1-CD2 3.51Å; F500-L586 HydrophobicContact CE1-CD2 3.98Å; F500-L586 HydrophobicContact CG-CD2 4.47Å; Y502-L586 HydrophobicContact CD1-CB 4.22Å; Y502-L586 HydrophobicContact CD1-CD2 4.03Å; Y502-L586 HydrophobicContact CE1-CB 3.49Å; Y502-L586 VanDerWaalsContact CE1-CB 3.49Å; Y502-L586 HydrophobicContact CE1-CD2 4.08Å; Y502-L586 HydrophobicContact CE1-CG 4.4Å; Y502-L586 PolarHBondContact OH-N 2.99Å; L512-L586 HydrophobicContact CB-CD2 4.12Å; L512-L586 HydrophobicContact CD2-CD2 4.26Å; L512-L586 HydrophobicContact CD2-CG 4.44Å; L586-Q588 WeakPolarHBondContact CD1-O 3.46Å; L586-W589 HydrophobicContact CD2-CB 4.31Å; L586-W589 HydrophobicContact CD2-CG 4.43Å; L586-M598 HydrophobicContact CD1-CB 3.73Å; L586-M598 HydrophobicContact CD1-CG 4.11Å; L586-F600 HydrophobicContact CB-CD1 4.38Å; L586-F600 HydrophobicContact CB-CE1 3.92Å; L586-F600 HydrophobicContact CB-CZ 4.26Å; L586-F600 HydrophobicContact CD1-CD2 4.33Å; L586-F600 HydrophobicContact CD1-CE1 4.17Å; L586-F600 HydrophobicContact CD1-CE2 3.84Å; L586-F600 HydrophobicContact CD1-CZ 3.72Å
587	L	89.7	Confident	78.5	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-43.6	172.6	-62.1	-171.6	0	0	0	111.4	S436 L437 T452 L534 Y585 L599 N601	S436-L587 CarbonylContact C-O 3.56Å; S436-L587 WeakPolarHBondContact CA-O 3.06Å; L437-L587 HydrophobicContact CD2-CD2 4.21Å; L437-L587 PolarHBondContact N-O 3.04Å; T452-L587 HydrophobicContact CG2-CB 4.15Å; T452-L587 HydrophobicContact CG2-CD1 4.4Å; L534-L587 HydrophobicContact CD2-CD1 4.38Å; L534-L587 HydrophobicContact CD2-CD2 3.73Å; L534-L587 HydrophobicContact CG-CD2 4.42Å; Y585-L587 HydrophobicContact CD2-CD2 4.03Å; Y585-L587 HydrophobicContact CE2-CD2 3.6Å; Y585-L587 PolarHBondContact O-N 2.81Å; L587-L599 PolarHBondContact N-O 3.33Å; L587-N601 HydrophobicContact CD2-CB 3.94Å; L587-N601 HydrophobicContact CG-CB 4.2Å
588	Q	90.1	Very high	80.8	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.019	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	147.1	-170.2	-170.2	165.4	21.4	0	0	111.4	G435 S436 T452 L586 L599 R667	G435-Q588 WeakPolarHBondContact O-CA 3.34Å; S436-Q588 WeakPolarHBondContact OG-CG 3.36Å; S436-Q588 PolarHBondContact OG-NE2 3.27Å; S436-Q588 VanDerWaalsContact OG-NE2 3.09Å; T452-Q588 HydrophobicContact CG2-CB 4.24Å; L586-Q588 WeakPolarHBondContact CD1-O 3.46Å; Q588-L599 PolarHBondContact N-O 2.8Å; Q588-L599 PolarHBondContact O-N 3.34Å; Q588-R667 VanDerWaalsContact OE1-CD 3.29Å
589	W	93.2	Very high	82.8	Confident	5 Å²	5	36.9 Å²	36.9	2%	0.019	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	152.3	169.8	64.7	-79.5	0	0	0	111.1	V433 R434 G435 S495 F500 L586 K591 L596 M597 M598	V433-W589 HydrophobicContact CB-CH2 3.81Å; V433-W589 HydrophobicContact CB-CZ3 4.14Å; V433-W589 HydrophobicContact CG1-CH2 3.5Å; V433-W589 HydrophobicContact CG1-CZ2 4.15Å; V433-W589 HydrophobicContact CG1-CZ3 4.31Å; R434-W589 WeakPolarHBondContact CA-O 3.46Å; G435-W589 PolarHBondContact N-O 3.37Å; G435-W589 VanDerWaalsContact N-O 3.1Å; G435-W589 PolarHBondContact O-N 3.06Å; S495-W589 VanDerWaalsContact CB-CZ2 3.46Å; F500-W589 HydrophobicContact CB-CD2 4.12Å; F500-W589 HydrophobicContact CB-CG 4.24Å; F500-W589 HydrophobicContact CB-CZ2 4.16Å; F500-W589 HydrophobicContact CD1-CG 4.24Å; F500-W589 AromaticContact CD2-CD2 3.63Å; F500-W589 HydrophobicContact CD2-CD2 3.63Å; F500-W589 AromaticContact CD2-CE2 3.91Å; F500-W589 AromaticContact CD2-CE3 3.8Å; F500-W589 HydrophobicContact CD2-CE3 3.8Å; F500-W589 HydrophobicContact CD2-CG 4.05Å; F500-W589 HydrophobicContact CD2-CH2 4.46Å; F500-W589 HydrophobicContact CD2-CZ2 4.35Å; F500-W589 HydrophobicContact CD2-CZ3 4.19Å; F500-W589 HydrophobicContact CE2-CD2 4.27Å; F500-W589 HydrophobicContact CE2-CE3 4.15Å; F500-W589 AromaticContact CG-CD1 3.88Å; F500-W589 AromaticContact CG-CD2 3.87Å; F500-W589 HydrophobicContact CG-CD2 3.87Å; F500-W589 AromaticContact CG-CE2 3.93Å; F500-W589 HydrophobicContact CG-CE3 4.5Å; F500-W589 AromaticContact CG-CG 3.9Å; F500-W589 HydrophobicContact CG-CG 3.9Å; F500-W589 AromaticContact CG-NE1 3.88Å; L586-W589 HydrophobicContact CD2-CB 4.31Å; L586-W589 HydrophobicContact CD2-CG 4.43Å; W589-K591 HydrophobicContact CE3-CB 4.38Å; W589-K591 HydrophobicContact CZ3-CB 3.96Å; W589-L596 HydrophobicContact CE3-CD1 3.99Å; W589-M597 CarbonylContact C-O 3.52Å; W589-M597 VanDerWaalsContact CA-O 3.23Å; W589-M597 WeakPolarHBondContact CA-O 3.41Å; W589-M597 WeakPolarHBondContact CB-O 3.37Å; W589-M598 HydrophobicContact CB-CG 4.14Å
590	L	90.2	Very high	85	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	129.6	-173.2	-96.2	160.2	0	0	0	110.3	L431 R434 M597 M663 R667	L431-L590 HydrophobicContact CD1-CD2 4.04Å; L431-L590 HydrophobicContact CD2-CD2 3.84Å; R434-L590 HydrophobicContact CB-CD2 3.52Å; R434-L590 HydrophobicContact CB-CG 3.98Å; L590-M597 HydrophobicContact CB-CB 4.22Å; L590-M597 HydrophobicContact CB-CE 4.18Å; L590-M597 HydrophobicContact CB-SD 4.24Å; L590-M597 HydrophobicContact CD1-CE 3.51Å; L590-M597 HydrophobicContact CD1-SD 4.46Å; L590-M597 HydrophobicContact CG-CE 4.44Å; L590-M597 PolarHBondContact N-O 2.98Å; L590-M597 PolarHBondContact O-N 3.13Å; L590-M663 HydrophobicContact CB-CE 4.35Å; L590-R667 HydrophobicContact CD1-CB 3.78Å; L590-R667 HydrophobicContact CD1-CG 3.68Å
591	K	89	Confident	87.1	Confident	24 Å²	24	26.8 Å²	26.8	10%	0.104	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.4	-176.4	-175.1	174.2	-166.2	176.3	0	110.8	I432 V433 D493 W589	I432-K591 HydrophobicContact CB-CG 4.44Å; I432-K591 PolarHBondContact N-O 3.08Å; V433-K591 PolarHBondContact O-N 2.81Å; D493-K591 WeakPolarHBondContact OD2-CD 3.45Å; D493-K591 IonicContact OD2-NZ 2.78Å; D493-K591 PolarHBondContact OD2-NZ 3.02Å; W589-K591 HydrophobicContact CE3-CB 4.38Å; W589-K591 HydrophobicContact CZ3-CB 3.96Å
592	S	89.3	Confident	88.5	Confident	1 Å²	1	25 Å²	25	1%	0.007	13%	0.125	C	C	.	.			trans	-104.2	-174	169.7	73.9	0	0	0	0	111.7	R430 I432 R594 A595 Y659	R430-S592 WeakPolarHBondContact O-CA 3.12Å; I432-S592 WeakPolarHBondContact CD1-O 3.11Å; S592-R594 VanDerWaalsContact C-N 3.32Å; S592-R594 PolarHBondContact OG-N 2.97Å; S592-R594 VanDerWaalsContact OG-N 3.16Å; S592-A595 PolarHBondContact N-O 3.44Å; S592-A595 PolarHBondContact OG-N 3.38Å; S592-A595 PolarHBondContact OG-O 2.87Å; S592-Y659 WeakPolarHBondContact CB-OH 3.39Å; S592-Y659 PolarHBondContact OG-OH 2.86Å
593	D	84.7	Confident	89.8	Confident	74 Å²	74	20.7 Å²	20.7	40%	0.396	10%	0.098	S	C	.	.	S	Bend	trans	-69.3	-24.5	168.7	62.6	-49.3	0	0	0	113.7	R430 I432	R430-D593 PolarHBondContact O-N 2.89Å; I432-D593 HydrophobicContact CD1-CB 4.49Å
594	R	89.8	Confident	90.4	Very high	101 Å²	101	18.3 Å²	18.3	38%	0.381	9%	0.09	S	C	.	.	S	Bend	trans	-110.7	-26	-174	-44.8	-171.3	-170.2	168.2	5.1	114.7	D427 S592 Y610 Y659	D427-R594 IonicContact OD1-CZ 3.68Å; D427-R594 IonicContact OD1-NH1 2.65Å; D427-R594 IonicContact OD1-NH2 2.62Å; D427-R594 PolarHBondContact OD1-NH2 2.83Å; D427-R594 IonicContact OD2-CZ 3.75Å; D427-R594 VanDerWaalsContact OD2-CZ 3.24Å; D427-R594 IonicContact OD2-NH1 2.77Å; D427-R594 PolarHBondContact OD2-NH1 2.88Å; D427-R594 IonicContact OD2-NH2 2.75Å; D427-R594 PolarHBondContact OD2-NH2 2.88Å; S592-R594 VanDerWaalsContact C-N 3.32Å; S592-R594 PolarHBondContact OG-N 2.97Å; S592-R594 VanDerWaalsContact OG-N 3.16Å; R594-Y610 VanDerWaalsContact C-CD2 3.45Å; R594-Y610 PolarHBondContact O-N 3.34Å; R594-Y659 HydrophobicContact CB-CE1 4.36Å
595	A	94.1	Very high	90.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	163.5	-175.9	0	0	0	0	0	114.1	S592 V607 N608 F609 Y659 M663	S592-A595 PolarHBondContact N-O 3.44Å; S592-A595 PolarHBondContact OG-N 3.38Å; S592-A595 PolarHBondContact OG-O 2.87Å; A595-V607 HydrophobicContact CB-CG1 3.8Å; A595-N608 VanDerWaalsContact CA-O 3.28Å; A595-N608 WeakPolarHBondContact CA-O 3.41Å; A595-N608 WeakPolarHBondContact CB-O 3.41Å; A595-F609 HydrophobicContact CB-CD1 3.98Å; A595-F609 HydrophobicContact CB-CE1 4.28Å; A595-F609 HydrophobicContact CB-CG 4.42Å; A595-Y659 HydrophobicContact CB-CE1 4.03Å; A595-M663 HydrophobicContact CB-SD 4.04Å
596	L	95.5	Very high	91.1	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.01	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	134.5	161.5	172.6	69.2	0	0	0	109.1	W491 F500 W589 M598 V607 N608 Y610	W491-L596 HydrophobicContact CD2-CD2 4.13Å; W491-L596 HydrophobicContact CG-CD2 3.81Å; F500-L596 HydrophobicContact CE2-CD1 4.01Å; F500-L596 HydrophobicContact CE2-CD2 4.04Å; F500-L596 HydrophobicContact CZ-CD1 4.25Å; F500-L596 HydrophobicContact CZ-CD2 3.69Å; W589-L596 HydrophobicContact CE3-CD1 3.99Å; L596-M598 HydrophobicContact CD1-CG 4.5Å; L596-M598 HydrophobicContact CD2-CE 4.01Å; L596-M598 HydrophobicContact CD2-CG 4.22Å; L596-M598 HydrophobicContact CD2-SD 3.87Å; L596-M598 HydrophobicContact CG-CG 4.17Å; L596-M598 HydrophobicContact CG-SD 4.44Å; L596-V607 CarbonylContact O-C 3.5Å; L596-V607 VanDerWaalsContact O-CA 3.29Å; L596-V607 WeakPolarHBondContact O-CA 3.41Å; L596-N608 PolarHBondContact N-O 3.22Å; L596-N608 PolarHBondContact O-N 3.01Å; L596-Y610 HydrophobicContact CB-CE1 4.1Å
597	M	95.2	Very high	91.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.5	170.8	179.1	-88.3	-105.6	0	0	110.5	W589 L590 F605 Q606 V607 M663 L664	W589-M597 CarbonylContact C-O 3.52Å; W589-M597 VanDerWaalsContact CA-O 3.23Å; W589-M597 WeakPolarHBondContact CA-O 3.41Å; W589-M597 WeakPolarHBondContact CB-O 3.37Å; L590-M597 HydrophobicContact CB-CB 4.22Å; L590-M597 HydrophobicContact CB-CE 4.18Å; L590-M597 HydrophobicContact CB-SD 4.24Å; L590-M597 HydrophobicContact CD1-CE 3.51Å; L590-M597 HydrophobicContact CD1-SD 4.46Å; L590-M597 HydrophobicContact CG-CE 4.44Å; L590-M597 PolarHBondContact N-O 2.98Å; L590-M597 PolarHBondContact O-N 3.13Å; M597-F605 HydrophobicContact CE-CE2 4.11Å; M597-F605 HydrophobicContact CG-CD2 4.22Å; M597-F605 HydrophobicContact CG-CE2 3.33Å; M597-F605 HydrophobicContact CG-CZ 3.95Å; M597-F605 HydrophobicContact SD-CD2 4.38Å; M597-F605 HydrophobicContact SD-CE2 3.84Å; M597-Q606 CarbonylContact C-O 3.56Å; M597-Q606 WeakPolarHBondContact CA-O 3.09Å; M597-V607 HydrophobicContact CB-CG2 4.14Å; M597-V607 HydrophobicContact CG-CG2 3.97Å; M597-M663 HydrophobicContact CB-CB 4.49Å; M597-M663 HydrophobicContact CB-CE 3.6Å; M597-M663 HydrophobicContact CB-SD 4.03Å; M597-L664 HydrophobicContact CE-CD2 3.8Å; M597-L664 HydrophobicContact CE-CG 4.08Å
598	M	95.5	Very high	91.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	137.9	-179.8	-67.2	173.3	-67.4	0	0	110.1	V488 F500 L586 W589 L596 F600 Q606 N608	V488-M598 HydrophobicContact CB-CE 3.79Å; V488-M598 HydrophobicContact CB-SD 4.23Å; V488-M598 HydrophobicContact CG1-CE 3.95Å; V488-M598 HydrophobicContact CG1-SD 4.06Å; V488-M598 HydrophobicContact CG2-CE 4Å; V488-M598 HydrophobicContact CG2-SD 3.96Å; F500-M598 HydrophobicContact CE1-CG 4.45Å; F500-M598 HydrophobicContact CE1-SD 3.88Å; F500-M598 HydrophobicContact CZ-SD 3.92Å; L586-M598 HydrophobicContact CD1-CB 3.73Å; L586-M598 HydrophobicContact CD1-CG 4.11Å; W589-M598 HydrophobicContact CB-CG 4.14Å; L596-M598 HydrophobicContact CD1-CG 4.5Å; L596-M598 HydrophobicContact CD2-CE 4.01Å; L596-M598 HydrophobicContact CD2-CG 4.22Å; L596-M598 HydrophobicContact CD2-SD 3.87Å; L596-M598 HydrophobicContact CG-CG 4.17Å; L596-M598 HydrophobicContact CG-SD 4.44Å; M598-F600 HydrophobicContact CB-CE2 3.93Å; M598-Q606 HydrophobicContact CE-CB 4.24Å; M598-Q606 HydrophobicContact CE-CG 3.84Å; M598-Q606 PolarHBondContact N-O 2.8Å; M598-Q606 PolarHBondContact O-N 3.41Å; M598-N608 WeakPolarHBondContact CE-ND2 3.38Å
599	L	93.3	Very high	91.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.7	-178.9	-176.6	69	0	0	0	110.8	V455 A456 V459 L587 Q588 F605	V455-L599 HydrophobicContact CG1-CD1 4.18Å; V455-L599 HydrophobicContact CG1-CD2 4.31Å; V455-L599 HydrophobicContact CG1-CG 4.32Å; A456-L599 HydrophobicContact CB-CD2 3.62Å; V459-L599 HydrophobicContact CG2-CD1 4.13Å; L587-L599 PolarHBondContact N-O 3.33Å; Q588-L599 PolarHBondContact N-O 2.8Å; Q588-L599 PolarHBondContact O-N 3.34Å; L599-F605 HydrophobicContact CD1-CB 4.15Å; L599-F605 HydrophobicContact CD1-CD2 4.18Å
600	F	91.6	Very high	91.6	Very high	3 Å²	3	19.7 Å²	19.7	1%	0.013	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	165.1	-173.2	-71.3	-95.4	0	0	0	113.3	V488 Y502 L504 L584 Y585 L586 M598 D602 G603 T604	V488-F600 HydrophobicContact CG2-CE2 3.86Å; V488-F600 HydrophobicContact CG2-CZ 3.44Å; V488-F600 VanDerWaalsContact CG2-CZ 3.44Å; Y502-F600 HydrophobicContact CD2-CE1 4.36Å; Y502-F600 HydrophobicContact CD2-CZ 4.32Å; Y502-F600 AromaticContact CE2-CE1 3.73Å; Y502-F600 HydrophobicContact CE2-CE1 3.73Å; Y502-F600 HydrophobicContact CE2-CZ 4.14Å; Y502-F600 AromaticContact CZ-CE1 3.84Å; L504-F600 HydrophobicContact CD2-CE1 4.28Å; L504-F600 HydrophobicContact CD2-CZ 4.38Å; L584-F600 HydrophobicContact CB-CD1 4.13Å; L584-F600 HydrophobicContact CD2-CB 3.55Å; L584-F600 HydrophobicContact CD2-CD1 3.88Å; L584-F600 HydrophobicContact CD2-CG 3.88Å; Y585-F600 VanDerWaalsContact C-CD1 3.45Å; Y585-F600 WeakPolarHBondContact O-CA 3.33Å; Y585-F600 WeakPolarHBondContact O-CD1 3.49Å; L586-F600 HydrophobicContact CB-CD1 4.38Å; L586-F600 HydrophobicContact CB-CE1 3.92Å; L586-F600 HydrophobicContact CB-CZ 4.26Å; L586-F600 HydrophobicContact CD1-CD2 4.33Å; L586-F600 HydrophobicContact CD1-CE1 4.17Å; L586-F600 HydrophobicContact CD1-CE2 3.84Å; L586-F600 HydrophobicContact CD1-CZ 3.72Å; M598-F600 HydrophobicContact CB-CE2 3.93Å; F600-D602 WeakPolarHBondContact CB-OD1 3.48Å; F600-D602 PolarHBondContact O-N 3.46Å; F600-D602 VanDerWaalsContact O-N 3.13Å; F600-G603 PolarHBondContact O-N 2.91Å; F600-G603 VanDerWaalsContact O-N 3.11Å; F600-T604 WeakPolarHBondContact CB-O 3.45Å; F600-T604 HydrophobicContact CD2-CG2 4.49Å; F600-T604 PolarHBondContact N-O 2.86Å
601	N	87.8	Confident	91.3	Very high	45 Å²	45	26.2 Å²	26.2	24%	0.241	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-8.8	-171.4	72.2	-85	0	0	0	116.2	R583 L584 Y585 L587	R583-N601 PolarHBondContact O-OD1 2.95Å; L584-N601 WeakPolarHBondContact CA-OD1 3.32Å; Y585-N601 HydrophobicContact CD1-CB 3.76Å; Y585-N601 VanDerWaalsContact CD1-OD1 3.24Å; Y585-N601 WeakPolarHBondContact CD1-OD1 3.49Å; Y585-N601 HydrophobicContact CD2-CB 4.12Å; Y585-N601 HydrophobicContact CE1-CB 3.41Å; Y585-N601 VanDerWaalsContact CE1-CB 3.41Å; Y585-N601 HydrophobicContact CE2-CB 3.81Å; Y585-N601 HydrophobicContact CG-CB 4.1Å; Y585-N601 VanDerWaalsContact CZ-CB 3.45Å; Y585-N601 PolarHBondContact N-OD1 3.47Å; Y585-N601 PolarHBondContact O-N 2.99Å; Y585-N601 VanDerWaalsContact O-N 3.12Å; Y585-N601 PolarHBondContact O-OD1 3.04Å; L587-N601 HydrophobicContact CD2-CB 3.94Å; L587-N601 HydrophobicContact CG-CB 4.2Å
602	D	84.9	Confident	91.3	Very high	73 Å²	73	25.9 Å²	25.9	39%	0.39	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-1	178.7	68.3	-32.4	0	0	0	112.3	L584 F600 T604	L584-D602 HydrophobicContact CD2-CB 4.48Å; L584-D602 VanDerWaalsContact CD2-CG 3.45Å; L584-D602 WeakPolarHBondContact CD2-OD1 3.4Å; F600-D602 WeakPolarHBondContact CB-OD1 3.48Å; F600-D602 PolarHBondContact O-N 3.46Å; F600-D602 VanDerWaalsContact O-N 3.13Å; D602-T604 WeakPolarHBondContact OD1-CB 3.46Å; D602-T604 PolarHBondContact OD1-N 2.83Å; D602-T604 PolarHBondContact OD1-OG1 3.47Å; D602-T604 WeakPolarHBondContact OD2-CB 3.4Å; D602-T604 PolarHBondContact OD2-OG1 3.27Å
603	G	86.6	Confident	91.2	Very high	11 Å²	11	31.8 Å²	31.8	11%	0.113	15%	0.151	C	C	.	.	S	Bend	trans	85.8	4.4	-170.1	0	0	0	0	0	114.7	V459 F600 F605	V459-G603 VanDerWaalsContact CG2-O 3.31Å; V459-G603 WeakPolarHBondContact CG2-O 3.28Å; F600-G603 PolarHBondContact O-N 2.91Å; F600-G603 VanDerWaalsContact O-N 3.11Å; G603-F605 PolarHBondContact O-N 3.31Å
604	T	91.3	Very high	91.6	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.025	13%	0.133	C	C	.	.			trans	-63.9	128.8	168.8	-70.7	0	0	0	0	109.6	F600 D602 I617 L618 C619	F600-T604 WeakPolarHBondContact CB-O 3.45Å; F600-T604 HydrophobicContact CD2-CG2 4.49Å; F600-T604 PolarHBondContact N-O 2.86Å; D602-T604 WeakPolarHBondContact OD1-CB 3.46Å; D602-T604 PolarHBondContact OD1-N 2.83Å; D602-T604 PolarHBondContact OD1-OG1 3.47Å; D602-T604 WeakPolarHBondContact OD2-CB 3.4Å; D602-T604 PolarHBondContact OD2-OG1 3.27Å; T604-I617 HydrophobicContact CG2-CG2 4.13Å; T604-L618 WeakPolarHBondContact CA-O 3.41Å; T604-C619 HydrophobicContact CG2-CB 4.35Å; T604-C619 WeakPolarHBondContact OG1-CB 3.4Å
605	F	93.9	Very high	91.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	124.4	-169.8	168.4	-103.7	0	0	0	109.7	V459 L463 M597 L599 G603 V607 I617 L618 L664	V459-F605 HydrophobicContact CG1-CB 3.67Å; V459-F605 HydrophobicContact CG1-CD1 4Å; V459-F605 HydrophobicContact CG1-CD2 4.16Å; V459-F605 HydrophobicContact CG1-CG 3.68Å; V459-F605 HydrophobicContact CG2-CB 4.5Å; L463-F605 HydrophobicContact CD1-CD1 3.98Å; L463-F605 HydrophobicContact CD1-CE1 3.66Å; L463-F605 HydrophobicContact CD1-CZ 4.38Å; M597-F605 HydrophobicContact CE-CE2 4.11Å; M597-F605 HydrophobicContact CG-CD2 4.22Å; M597-F605 HydrophobicContact CG-CE2 3.33Å; M597-F605 HydrophobicContact CG-CZ 3.95Å; M597-F605 HydrophobicContact SD-CD2 4.38Å; M597-F605 HydrophobicContact SD-CE2 3.84Å; L599-F605 HydrophobicContact CD1-CB 4.15Å; L599-F605 HydrophobicContact CD1-CD2 4.18Å; G603-F605 PolarHBondContact O-N 3.31Å; F605-V607 HydrophobicContact CE1-CG2 3.72Å; F605-V607 HydrophobicContact CE2-CG2 4.09Å; F605-V607 HydrophobicContact CZ-CG2 3.38Å; F605-I617 CarbonylContact O-C 3.55Å; F605-I617 WeakPolarHBondContact O-CA 3.39Å; F605-L618 HydrophobicContact CD1-CB 4.31Å; F605-L618 PolarHBondContact N-O 3.12Å; F605-L618 PolarHBondContact O-N 3.24Å; F605-L664 HydrophobicContact CD1-CD1 4.39Å; F605-L664 HydrophobicContact CD2-CD1 4.03Å; F605-L664 HydrophobicContact CD2-CD2 3.94Å; F605-L664 HydrophobicContact CD2-CG 4.15Å; F605-L664 HydrophobicContact CE1-CD1 3.93Å; F605-L664 HydrophobicContact CE2-CD1 3.5Å; F605-L664 HydrophobicContact CE2-CD2 3.6Å; F605-L664 HydrophobicContact CE2-CG 3.39Å; F605-L664 HydrophobicContact CG-CD1 4.43Å; F605-L664 HydrophobicContact CZ-CD1 3.44Å; F605-L664 VanDerWaalsContact CZ-CD1 3.44Å; F605-L664 HydrophobicContact CZ-CD2 4.37Å; F605-L664 HydrophobicContact CZ-CG 3.67Å
606	Q	95.7	Very high	91.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.8	-175	176.6	169.5	-8	0	0	111.9	V488 M597 M598 N608 I616 I617	V488-Q606 PolarHBondContact O-NE2 2.87Å; M597-Q606 CarbonylContact C-O 3.56Å; M597-Q606 WeakPolarHBondContact CA-O 3.09Å; M598-Q606 HydrophobicContact CE-CB 4.24Å; M598-Q606 HydrophobicContact CE-CG 3.84Å; M598-Q606 PolarHBondContact N-O 2.8Å; M598-Q606 PolarHBondContact O-N 3.41Å; Q606-N608 WeakPolarHBondContact CG-OD1 3.31Å; Q606-N608 PolarHBondContact NE2-ND2 3.12Å; Q606-N608 PolarHBondContact NE2-OD1 2.99Å; Q606-I616 CarbonylContact C-O 3.48Å; Q606-I616 VanDerWaalsContact CA-O 3.3Å; Q606-I616 WeakPolarHBondContact CA-O 3.37Å; Q606-I617 HydrophobicContact CB-CG1 4.39Å; Q606-I617 HydrophobicContact CG-CG1 4Å
607	V	96.6	Very high	91.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123	173.7	-177.3	0	0	0	0	110.1	A595 L596 M597 F605 F609 K615 I616 M663	A595-V607 HydrophobicContact CB-CG1 3.8Å; L596-V607 CarbonylContact O-C 3.5Å; L596-V607 VanDerWaalsContact O-CA 3.29Å; L596-V607 WeakPolarHBondContact O-CA 3.41Å; M597-V607 HydrophobicContact CB-CG2 4.14Å; M597-V607 HydrophobicContact CG-CG2 3.97Å; F605-V607 HydrophobicContact CE1-CG2 3.72Å; F605-V607 HydrophobicContact CE2-CG2 4.09Å; F605-V607 HydrophobicContact CZ-CG2 3.38Å; V607-F609 HydrophobicContact CB-CE2 4.33Å; V607-F609 HydrophobicContact CG1-CD2 4.36Å; V607-F609 HydrophobicContact CG1-CE1 4.27Å; V607-F609 HydrophobicContact CG1-CE2 3.78Å; V607-F609 HydrophobicContact CG1-CZ 3.72Å; V607-K615 CarbonylContact O-C 3.36Å; V607-K615 WeakPolarHBondContact O-CA 3.4Å; V607-I616 PolarHBondContact N-O 2.85Å; V607-I616 PolarHBondContact O-N 2.94Å; V607-M663 HydrophobicContact CG1-SD 4.4Å
608	N	95.2	Very high	91.6	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.011	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116	-178.5	-64	-15.4	0	0	0	109.6	W491 A595 L596 M598 Q606 K615	W491-N608 HydrophobicContact CH2-CB 3.86Å; W491-N608 VanDerWaalsContact CH2-ND2 3.27Å; W491-N608 WeakPolarHBondContact CH2-ND2 3.39Å; W491-N608 HydrophobicContact CZ2-CB 3.99Å; W491-N608 WeakPolarHBondContact CZ3-ND2 3.14Å; A595-N608 VanDerWaalsContact CA-O 3.28Å; A595-N608 WeakPolarHBondContact CA-O 3.41Å; A595-N608 WeakPolarHBondContact CB-O 3.41Å; L596-N608 PolarHBondContact N-O 3.22Å; L596-N608 PolarHBondContact O-N 3.01Å; M598-N608 WeakPolarHBondContact CE-ND2 3.38Å; Q606-N608 WeakPolarHBondContact CG-OD1 3.31Å; Q606-N608 PolarHBondContact NE2-ND2 3.12Å; Q606-N608 PolarHBondContact NE2-OD1 2.99Å; N608-K615 HydrophobicContact CB-CG 4.37Å; N608-K615 WeakPolarHBondContact OD1-CD 3.37Å; N608-K615 VanDerWaalsContact OD1-CG 3.31Å; N608-K615 WeakPolarHBondContact OD1-CG 3.24Å
609	F	94.3	Very high	91.4	Very high	18 Å²	18	25 Å²	25	8%	0.079	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	138.4	-175.5	-65.2	-90.9	0	0	0	111.7	A595 V607 D612 H613 T614 I616 R656 Y659	A595-F609 HydrophobicContact CB-CD1 3.98Å; A595-F609 HydrophobicContact CB-CE1 4.28Å; A595-F609 HydrophobicContact CB-CG 4.42Å; V607-F609 HydrophobicContact CB-CE2 4.33Å; V607-F609 HydrophobicContact CG1-CD2 4.36Å; V607-F609 HydrophobicContact CG1-CE1 4.27Å; V607-F609 HydrophobicContact CG1-CE2 3.78Å; V607-F609 HydrophobicContact CG1-CZ 3.72Å; F609-D612 WeakPolarHBondContact CB-OD1 3.42Å; F609-H613 VanDerWaalsContact O-CA 3.26Å; F609-H613 WeakPolarHBondContact O-CA 3.45Å; F609-H613 PolarHBondContact O-N 2.82Å; F609-T614 WeakPolarHBondContact CD2-OG1 3.47Å; F609-T614 PolarHBondContact N-O 2.89Å; F609-I616 HydrophobicContact CE2-CD1 4.29Å; F609-I616 HydrophobicContact CE2-CG1 4.4Å; F609-R656 HydrophobicContact CE1-CB 4.44Å; F609-R656 HydrophobicContact CE1-CG 4.32Å; F609-R656 HydrophobicContact CE2-CB 3.96Å; F609-R656 HydrophobicContact CE2-CG 4.13Å; F609-R656 HydrophobicContact CZ-CB 3.7Å; F609-R656 HydrophobicContact CZ-CG 3.96Å; F609-Y659 AromaticContact CE1-CD1 3.73Å; F609-Y659 HydrophobicContact CE1-CD1 3.73Å; F609-Y659 HydrophobicContact CE1-CE1 4.39Å; F609-Y659 HydrophobicContact CE1-CG 4.32Å; F609-Y659 HydrophobicContact CZ-CD1 4.38Å
610	Y	88.3	Confident	91	Very high	53 Å²	53	27.2 Å²	27.2	21%	0.208	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-21.7	-175	-57.9	-37.2	0	0	0	114.4	R594 L596	R594-Y610 VanDerWaalsContact C-CD2 3.45Å; R594-Y610 PolarHBondContact O-N 3.34Å; L596-Y610 HydrophobicContact CB-CE1 4.1Å
611	H	85.9	Confident	90.3	Very high	138 Å²	138	30.6 Å²	30.6	64%	0.639	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-42.9	-174.7	-171.9	-90.3	0	0	0	112.2	K397	K397-H611 PolarHBondContact NZ-O 3.08Å
612	D	88.9	Confident	89.7	Confident	17 Å²	17	39.7 Å²	39.7	9%	0.091	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-0.9	-167.6	45.7	46.9	0	0	0	112.4	F609 T614 E632 R656	F609-D612 WeakPolarHBondContact CB-OD1 3.42Å; D612-T614 HydrophobicContact CB-CG2 4.04Å; D612-T614 PolarHBondContact O-N 3.11Å; D612-T614 VanDerWaalsContact O-N 3.11Å; D612-T614 WeakPolarHBondContact OD1-CB 3.46Å; D612-T614 VanDerWaalsContact OD1-CG2 3.28Å; D612-T614 WeakPolarHBondContact OD1-CG2 3.11Å; D612-T614 PolarHBondContact OD1-N 3.13Å; D612-T614 VanDerWaalsContact OD1-N 3.09Å; D612-T614 PolarHBondContact OD1-OG1 3.48Å; D612-E632 HydrophobicContact CB-CG 4Å; D612-E632 WeakPolarHBondContact CB-OE1 3.4Å; D612-R656 IonicContact OD1-NH1 3.41Å; D612-R656 PolarHBondContact OD1-NH1 2.86Å; D612-R656 VanDerWaalsContact OD1-NH1 3.16Å; D612-R656 IonicContact OD2-CZ 3.27Å; D612-R656 VanDerWaalsContact OD2-CZ 3.25Å; D612-R656 IonicContact OD2-NH1 2.6Å; D612-R656 PolarHBondContact OD2-NH1 2.99Å; D612-R656 IonicContact OD2-NH2 3.52Å; D612-R656 PolarHBondContact OD2-NH2 2.75Å
613	H	86.3	Confident	89.4	Confident	125 Å²	125	43.8 Å²	43.8	58%	0.579	21%	0.206	S	C	*	.			trans	62.4	9.1	-178.3	-54	-67.1	0	0	0	115.6	F609 K615	F609-H613 VanDerWaalsContact O-CA 3.26Å; F609-H613 WeakPolarHBondContact O-CA 3.45Å; F609-H613 PolarHBondContact O-N 2.82Å; H613-K615 PolarHBondContact O-NZ 2.66Å
614	T	92.3	Very high	89.2	Confident	0 Å²	0	46 Å²	46	0%	0	21%	0.213	C	C	.	.			trans	-63.2	157.3	174.5	64.5	0	0	0	0	111.8	F609 D612 Y629 I630 E632 R656	F609-T614 WeakPolarHBondContact CD2-OG1 3.47Å; F609-T614 PolarHBondContact N-O 2.89Å; D612-T614 HydrophobicContact CB-CG2 4.04Å; D612-T614 PolarHBondContact O-N 3.11Å; D612-T614 VanDerWaalsContact O-N 3.11Å; D612-T614 WeakPolarHBondContact OD1-CB 3.46Å; D612-T614 VanDerWaalsContact OD1-CG2 3.28Å; D612-T614 WeakPolarHBondContact OD1-CG2 3.11Å; D612-T614 PolarHBondContact OD1-N 3.13Å; D612-T614 VanDerWaalsContact OD1-N 3.09Å; D612-T614 PolarHBondContact OD1-OG1 3.48Å; T614-Y629 HydrophobicContact CG2-CE2 4.34Å; T614-I630 CarbonylContact C-O 3.44Å; T614-I630 WeakPolarHBondContact CA-O 3.29Å; T614-I630 WeakPolarHBondContact CB-O 3.1Å; T614-E632 HydrophobicContact CG2-CG 3.84Å; T614-R656 PolarHBondContact OG1-NH1 2.85Å
615	K	93.9	Very high	89.1	Confident	29 Å²	29	48.6 Å²	48.6	13%	0.126	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.9	-178.5	-49.9	176.4	-173.4	58.5	0	111.3	W487 V607 N608 H613 I617 Y629 I630	W487-K615 HydrophobicContact CE3-CD 4.48Å; W487-K615 HydrophobicContact CH2-CD 4.46Å; W487-K615 HydrophobicContact CZ3-CD 3.71Å; V607-K615 CarbonylContact O-C 3.36Å; V607-K615 WeakPolarHBondContact O-CA 3.4Å; N608-K615 HydrophobicContact CB-CG 4.37Å; N608-K615 WeakPolarHBondContact OD1-CD 3.37Å; N608-K615 VanDerWaalsContact OD1-CG 3.31Å; N608-K615 WeakPolarHBondContact OD1-CG 3.24Å; H613-K615 PolarHBondContact O-NZ 2.66Å; K615-I617 HydrophobicContact CB-CD1 4.21Å; K615-Y629 WeakPolarHBondContact O-CA 3.48Å; K615-Y629 VanDerWaalsContact O-CD2 3.32Å; K615-Y629 WeakPolarHBondContact O-CD2 3.37Å; K615-I630 HydrophobicContact CB-CB 4.16Å; K615-I630 HydrophobicContact CB-CD1 4.44Å; K615-I630 HydrophobicContact CD-CD1 4.34Å; K615-I630 PolarHBondContact N-O 3.15Å; K615-I630 PolarHBondContact O-N 3.32Å
616	I	94.9	Very high	88.9	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133	166.4	-74.5	178.1	0	0	0	107.9	Q606 V607 F609 L627 Y629 L653 R656 L657	Q606-I616 CarbonylContact C-O 3.48Å; Q606-I616 VanDerWaalsContact CA-O 3.3Å; Q606-I616 WeakPolarHBondContact CA-O 3.37Å; V607-I616 PolarHBondContact N-O 2.85Å; V607-I616 PolarHBondContact O-N 2.94Å; F609-I616 HydrophobicContact CE2-CD1 4.29Å; F609-I616 HydrophobicContact CE2-CG1 4.4Å; I616-L627 HydrophobicContact CG2-CD1 3.7Å; I616-Y629 HydrophobicContact CG1-CD2 4.04Å; I616-L653 HydrophobicContact CD1-CD1 3.94Å; I616-L653 HydrophobicContact CG1-CD1 4.19Å; I616-R656 HydrophobicContact CD1-CB 3.55Å; I616-L657 HydrophobicContact CD1-CD2 4.15Å; I616-L657 HydrophobicContact CD1-CG 4.12Å
617	I	94.4	Very high	88.7	Confident	0 Å²	0	49 Å²	49	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.1	168.2	-47.7	87	0	0	0	107.7	L485 W487 T604 F605 Q606 K615 T628 I630	L485-I617 HydrophobicContact CD1-CG2 4.38Å; L485-I617 HydrophobicContact CD2-CB 4.27Å; L485-I617 HydrophobicContact CD2-CG2 4.06Å; W487-I617 HydrophobicContact CB-CG1 4.09Å; W487-I617 HydrophobicContact CB-CG2 4.31Å; W487-I617 HydrophobicContact CE3-CD1 4.48Å; T604-I617 HydrophobicContact CG2-CG2 4.13Å; F605-I617 CarbonylContact O-C 3.55Å; F605-I617 WeakPolarHBondContact O-CA 3.39Å; Q606-I617 HydrophobicContact CB-CG1 4.39Å; Q606-I617 HydrophobicContact CG-CG1 4Å; K615-I617 HydrophobicContact CB-CD1 4.21Å; I617-T628 HydrophobicContact CD1-CG2 4.28Å; I617-T628 PolarHBondContact N-O 3.31Å; I617-T628 PolarHBondContact O-N 3.1Å; I617-I630 HydrophobicContact CD1-CD1 3.89Å; I617-I630 HydrophobicContact CD1-CG1 4.16Å
618	L	92.7	Very high	88.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.7	169.8	-178.8	70.6	0	0	0	108.2	V459 V462 L463 T604 F605 Y625 M626 L627 L641	V459-L618 HydrophobicContact CG1-CD2 4.28Å; V462-L618 HydrophobicContact CG1-CD2 4.35Å; L463-L618 HydrophobicContact CD1-CD2 4.27Å; L463-L618 HydrophobicContact CD2-CD2 3.85Å; L463-L618 HydrophobicContact CG-CD2 3.73Å; T604-L618 WeakPolarHBondContact CA-O 3.41Å; F605-L618 HydrophobicContact CD1-CB 4.31Å; F605-L618 PolarHBondContact N-O 3.12Å; F605-L618 PolarHBondContact O-N 3.24Å; L618-Y625 HydrophobicContact CD1-CD1 4.25Å; L618-Y625 HydrophobicContact CD2-CD1 4.44Å; L618-Y625 HydrophobicContact CG-CD1 4.24Å; L618-M626 WeakPolarHBondContact CA-O 3.42Å; L618-L627 HydrophobicContact CB-CD1 4.24Å; L618-L627 HydrophobicContact CD1-CB 4.4Å; L618-L627 HydrophobicContact CD1-CD1 4.2Å; L618-L641 HydrophobicContact CD1-CD1 4.26Å
619	C	90.2	Very high	88.3	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.034	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	155.4	176.3	59.6	0	0	0	0	110.4	L485 T604 Y625 M626	L485-C619 HydrophobicContact CD1-CB 3.94Å; L485-C619 VanDerWaalsContact CD1-SG 3.59Å; T604-C619 HydrophobicContact CG2-CB 4.35Å; T604-C619 WeakPolarHBondContact OG1-CB 3.4Å; C619-Y625 WeakPolarHBondContact O-CA 3.46Å; C619-M626 PolarHBondContact N-O 3.46Å; C619-M626 VanDerWaalsContact N-O 3.1Å; C619-M626 PolarHBondContact O-N 3.12Å
620	C	84.6	Confident	88	Confident	47 Å²	47	50 Å²	50	32%	0.318	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	129.7	167.2	-169.8	0	0	0	0	109.5	Y625	C620-Y625 HydrophobicContact CB-CD1 4.1Å; C620-Y625 HydrophobicContact CB-CE1 3.8Å
621	Q	77.1	Confident	87.9	Confident	75 Å²	75	49.2 Å²	49.2	35%	0.35	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	116.6	176.6	179.6	166.4	90.7	0	0	109.6	C483 S484 D623 E624	C483-Q621 PolarHBondContact SG-OE1 3.06Å; S484-Q621 PolarHBondContact O-NE2 3.14Å; Q621-D623 PolarHBondContact O-N 3.37Å; Q621-E624 PolarHBondContact N-O 2.86Å; Q621-E624 PolarHBondContact O-N 2.83Å
622	R	76.9	Confident	88	Confident	235 Å²	235	48.6 Å²	48.6	89%	0.887	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	51	-177	-55.1	175.8	-178.9	172.6	-0.1	112	E624	R622-E624 PolarHBondContact O-N 3.46Å; R622-E624 VanDerWaalsContact O-N 3.09Å
623	D	77.8	Confident	87.6	Confident	160 Å²	160	54.4 Å²	54.4	86%	0.856	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	9.3	179.4	-49	-45.2	0	0	0	116	Q621	Q621-D623 PolarHBondContact O-N 3.37Å
624	E	83	Confident	87.4	Confident	56 Å²	56	55.6 Å²	55.6	26%	0.262	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.2	171.3	-167.1	174.8	-152.8	0	0	111.5	Q621 R622 M626 K640 S642	Q621-E624 PolarHBondContact N-O 2.86Å; Q621-E624 PolarHBondContact O-N 2.83Å; R622-E624 PolarHBondContact O-N 3.46Å; R622-E624 VanDerWaalsContact O-N 3.09Å; E624-M626 HydrophobicContact CG-SD 4.4Å; E624-K640 WeakPolarHBondContact OE1-CB 3.02Å; E624-K640 WeakPolarHBondContact OE1-CD 3.48Å; E624-K640 WeakPolarHBondContact OE1-CG 3.49Å; E624-K640 IonicContact OE1-NZ 3.82Å; E624-K640 PolarHBondContact OE1-NZ 2.85Å; E624-K640 IonicContact OE2-NZ 3.42Å; E624-K640 PolarHBondContact OE2-NZ 2.78Å; E624-S642 PolarHBondContact OE1-OG 2.82Å
625	Y	88.6	Confident	86.9	Confident	60 Å²	60	59.2 Å²	59.2	24%	0.235	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	129.2	174.8	-77.2	-85.2	0	0	0	111.2	V462 L618 C619 C620 L641	V462-Y625 HydrophobicContact CG1-CD1 3.91Å; V462-Y625 HydrophobicContact CG1-CD2 3.92Å; V462-Y625 HydrophobicContact CG1-CE1 4.14Å; V462-Y625 HydrophobicContact CG1-CE2 4.17Å; V462-Y625 HydrophobicContact CG1-CG 3.78Å; V462-Y625 HydrophobicContact CG2-CD2 4.28Å; V462-Y625 HydrophobicContact CG2-CE1 4.3Å; V462-Y625 HydrophobicContact CG2-CE2 3.74Å; L618-Y625 HydrophobicContact CD1-CD1 4.25Å; L618-Y625 HydrophobicContact CD2-CD1 4.44Å; L618-Y625 HydrophobicContact CG-CD1 4.24Å; C619-Y625 WeakPolarHBondContact O-CA 3.46Å; C620-Y625 HydrophobicContact CB-CD1 4.1Å; C620-Y625 HydrophobicContact CB-CE1 3.8Å; Y625-L641 HydrophobicContact CG-CD2 4.43Å; Y625-L641 VanDerWaalsContact O-CB 3.31Å; Y625-L641 WeakPolarHBondContact O-CB 3.04Å; Y625-L641 PolarHBondContact O-N 3.25Å
626	M	89.5	Confident	86.5	Confident	8 Å²	8	61.5 Å²	61.5	4%	0.039	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.6	-179.3	-58.5	-58.8	-60.1	0	0	109.8	L480 L618 C619 E624 T638 F639 K640	L480-M626 HydrophobicContact CD1-CE 4.43Å; L480-M626 HydrophobicContact CD2-CE 4.02Å; L618-M626 WeakPolarHBondContact CA-O 3.42Å; C619-M626 PolarHBondContact N-O 3.46Å; C619-M626 VanDerWaalsContact N-O 3.1Å; C619-M626 PolarHBondContact O-N 3.12Å; E624-M626 HydrophobicContact CG-SD 4.4Å; M626-T638 HydrophobicContact CB-CG2 4.3Å; M626-T638 HydrophobicContact CE-CG2 3.7Å; M626-F639 CarbonylContact C-O 3.51Å; M626-F639 WeakPolarHBondContact CA-O 3.37Å; M626-K640 HydrophobicContact CE-CB 4.44Å; M626-K640 HydrophobicContact CE-CG 3.81Å; M626-K640 HydrophobicContact SD-CB 4.17Å; M626-K640 HydrophobicContact SD-CG 3.72Å
627	L	91.6	Very high	86.1	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117	174.8	-173.4	75.7	0	0	0	109.7	I616 L618 T638 F639 L644 L653 L657	I616-L627 HydrophobicContact CG2-CD1 3.7Å; L618-L627 HydrophobicContact CB-CD1 4.24Å; L618-L627 HydrophobicContact CD1-CB 4.4Å; L618-L627 HydrophobicContact CD1-CD1 4.2Å; L627-T638 WeakPolarHBondContact O-CA 3.3Å; L627-F639 PolarHBondContact N-O 3.32Å; L627-F639 PolarHBondContact O-N 3.39Å; L627-L644 HydrophobicContact CB-CD1 4.19Å; L627-L644 HydrophobicContact CD2-CD1 3.49Å; L627-L644 VanDerWaalsContact CD2-CD1 3.49Å; L627-L644 HydrophobicContact CG-CD1 4.47Å; L627-L653 HydrophobicContact CD2-CD1 4.34Å; L627-L653 HydrophobicContact CD2-CD2 4.35Å; L627-L657 HydrophobicContact CD1-CD2 3.84Å; L627-L657 HydrophobicContact CD2-CD1 3.99Å; L627-L657 HydrophobicContact CD2-CD2 3.94Å; L627-L657 HydrophobicContact CD2-CG 4.38Å
628	T	91.7	Very high	85.9	Confident	6 Å²	6	66 Å²	66	4%	0.037	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124	170	-58.5	0	0	0	0	109.9	L485 I617 I630 K637 T638	L485-T628 HydrophobicContact CD2-CG2 4.5Å; L485-T628 WeakPolarHBondContact CD2-OG1 3.43Å; I617-T628 HydrophobicContact CD1-CG2 4.28Å; I617-T628 PolarHBondContact N-O 3.31Å; I617-T628 PolarHBondContact O-N 3.1Å; T628-I630 HydrophobicContact CG2-CG1 4.32Å; T628-K637 WeakPolarHBondContact CA-O 3.49Å; T628-T638 WeakPolarHBondContact OG1-CG2 3.45Å; T628-T638 PolarHBondContact OG1-OG1 3.41Å
629	Y	91.3	Very high	85.6	Confident	29 Å²	29	66.2 Å²	66.2	11%	0.114	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130	169.5	-175.9	-134.6	0	0	0	109.7	T614 K615 I616 N631 S636 K637 D652 L653 R656	T614-Y629 HydrophobicContact CG2-CE2 4.34Å; K615-Y629 WeakPolarHBondContact O-CA 3.48Å; K615-Y629 VanDerWaalsContact O-CD2 3.32Å; K615-Y629 WeakPolarHBondContact O-CD2 3.37Å; I616-Y629 HydrophobicContact CG1-CD2 4.04Å; Y629-N631 HydrophobicContact CE1-CB 4.33Å; Y629-S636 CarbonylContact O-C 3.58Å; Y629-S636 WeakPolarHBondContact O-CA 3.36Å; Y629-K637 PolarHBondContact N-O 2.95Å; Y629-K637 PolarHBondContact O-N 2.81Å; Y629-D652 PolarHBondContact OH-OD2 3.48Å; Y629-L653 HydrophobicContact CD1-CD1 4.24Å; Y629-L653 HydrophobicContact CD2-CD1 3.82Å; Y629-L653 HydrophobicContact CE2-CD1 4.31Å; Y629-L653 HydrophobicContact CG-CD1 3.8Å; Y629-R656 WeakPolarHBondContact OH-CD 3.47Å; Y629-R656 PolarHBondContact OH-NE 2.99Å; Y629-R656 VanDerWaalsContact OH-NE 3.09Å
630	I	89.2	Confident	85.5	Confident	8 Å²	8	69.1 Å²	69.1	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.5	171.9	-54.2	178.8	0	0	0	106.9	W487 T614 K615 I617 T628	W487-I630 HydrophobicContact CD2-CD1 4.37Å; W487-I630 HydrophobicContact CE3-CD1 4.18Å; W487-I630 HydrophobicContact CH2-CD1 3.59Å; W487-I630 HydrophobicContact CZ2-CD1 3.77Å; W487-I630 HydrophobicContact CZ3-CD1 3.81Å; T614-I630 CarbonylContact C-O 3.44Å; T614-I630 WeakPolarHBondContact CA-O 3.29Å; T614-I630 WeakPolarHBondContact CB-O 3.1Å; K615-I630 HydrophobicContact CB-CB 4.16Å; K615-I630 HydrophobicContact CB-CD1 4.44Å; K615-I630 HydrophobicContact CD-CD1 4.34Å; K615-I630 PolarHBondContact N-O 3.15Å; K615-I630 PolarHBondContact O-N 3.32Å; I617-I630 HydrophobicContact CD1-CD1 3.89Å; I617-I630 HydrophobicContact CD1-CG1 4.16Å; T628-I630 HydrophobicContact CG2-CG1 4.32Å
631	N	86.1	Confident	85.7	Confident	36 Å²	36	67.5 Å²	67.5	19%	0.193	32%	0.315	C	S	.	.			trans	-82	-176.6	-177.4	68.2	-7.3	0	0	0	112.9	Y629 E633 R634 V635	Y629-N631 HydrophobicContact CE1-CB 4.33Å; N631-E633 VanDerWaalsContact C-N 3.28Å; N631-E633 PolarHBondContact ND2-OE2 3.44Å; N631-E633 PolarHBondContact O-N 3.49Å; N631-R634 WeakPolarHBondContact O-CA 3.29Å; N631-R634 PolarHBondContact O-N 2.77Å; N631-R634 PolarHBondContact OD1-N 3.04Å; N631-V635 PolarHBondContact N-O 2.88Å; N631-V635 WeakPolarHBondContact OD1-CA 3.25Å; N631-V635 WeakPolarHBondContact OD1-CB 3.5Å; N631-V635 PolarHBondContact OD1-N 2.86Å; N631-V635 PolarHBondContact OD1-O 2.81Å; N631-V635 VanDerWaalsContact OD1-O 3.09Å
632	E	86.4	Confident	86.1	Confident	124 Å²	124	66.4 Å²	66.4	58%	0.579	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-36.2	-178.7	-53.1	-163.8	-168.4	0	0	111.9	D612 T614 R634	D612-E632 HydrophobicContact CB-CG 4Å; D612-E632 WeakPolarHBondContact CB-OE1 3.4Å; T614-E632 HydrophobicContact CG2-CG 3.84Å; E632-R634 PolarHBondContact O-N 3.39Å
633	E	82.4	Confident	86.5	Confident	140 Å²	140	56.9 Å²	56.9	65%	0.654	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	3	175	-56.2	86.2	167.1	0	0	113.8	N631 V635	N631-E633 VanDerWaalsContact C-N 3.28Å; N631-E633 PolarHBondContact ND2-OE2 3.44Å; N631-E633 PolarHBondContact O-N 3.49Å; E633-V635 HydrophobicContact CB-CG2 4.26Å; E633-V635 PolarHBondContact O-N 2.93Å
634	R	80.6	Confident	86.9	Confident	149 Å²	149	49.2 Å²	49.2	56%	0.562	24%	0.244	S	C	*	.			trans	62.3	16.3	-175.8	-48.1	-174	-173.1	-174.1	5.8	115.4	N631 E632 S636	N631-R634 WeakPolarHBondContact O-CA 3.29Å; N631-R634 PolarHBondContact O-N 2.77Å; N631-R634 PolarHBondContact OD1-N 3.04Å; E632-R634 PolarHBondContact O-N 3.39Å; R634-S636 PolarHBondContact O-N 3.34Å
635	V	82.5	Confident	87	Confident	76 Å²	76	49.8 Å²	49.8	46%	0.461	25%	0.249	S	C	.	.			trans	-77.4	118.7	172.5	-178	0	0	0	0	109.2	N631 E633	N631-V635 PolarHBondContact N-O 2.88Å; N631-V635 WeakPolarHBondContact OD1-CA 3.25Å; N631-V635 WeakPolarHBondContact OD1-CB 3.5Å; N631-V635 PolarHBondContact OD1-N 2.86Å; N631-V635 PolarHBondContact OD1-O 2.81Å; N631-V635 VanDerWaalsContact OD1-O 3.09Å; E633-V635 HydrophobicContact CB-CG2 4.26Å; E633-V635 PolarHBondContact O-N 2.93Å
636	S	85.8	Confident	86.8	Confident	77 Å²	77	52.4 Å²	52.4	54%	0.538	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	133.2	172.1	54.7	0	0	0	0	111.4	Y629 R634	Y629-S636 CarbonylContact O-C 3.58Å; Y629-S636 WeakPolarHBondContact O-CA 3.36Å; R634-S636 PolarHBondContact O-N 3.34Å
637	K	86.8	Confident	86.6	Confident	82 Å²	82	55 Å²	55	36%	0.357	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.5	168.5	-70.2	-176.9	178	178.3	0	109.4	T476 T479 T628 Y629 F639	T476-K637 HydrophobicContact CG2-CD 4.32Å; T479-K637 HydrophobicContact CG2-CB 3.85Å; T479-K637 HydrophobicContact CG2-CD 4.11Å; T479-K637 HydrophobicContact CG2-CG 4.01Å; T628-K637 WeakPolarHBondContact CA-O 3.49Å; Y629-K637 PolarHBondContact N-O 2.95Å; Y629-K637 PolarHBondContact O-N 2.81Å; K637-F639 HydrophobicContact CB-CE2 3.87Å; K637-F639 HydrophobicContact CB-CZ 3.72Å; K637-F639 HydrophobicContact CD-CZ 4.26Å
638	T	88.7	Confident	86.3	Confident	13 Å²	13	55 Å²	55	8%	0.08	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.4	-179.5	-56.6	0	0	0	0	110.5	T479 L480 C483 M626 L627 T628	T479-T638 WeakPolarHBondContact CA-O 3.24Å; L480-T638 PolarHBondContact N-O 3.05Å; C483-T638 HydrophobicContact CB-CG2 4.2Å; M626-T638 HydrophobicContact CB-CG2 4.3Å; M626-T638 HydrophobicContact CE-CG2 3.7Å; L627-T638 WeakPolarHBondContact O-CA 3.3Å; T628-T638 WeakPolarHBondContact OG1-CG2 3.45Å; T628-T638 PolarHBondContact OG1-OG1 3.41Å
639	F	87.6	Confident	86.2	Confident	5 Å²	5	54.8 Å²	54.8	2%	0.022	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144.5	-177.5	-50.1	-81.2	0	0	0	110	T476 P477 T479 M626 L627 K637 L644 L653	T476-F639 HydrophobicContact CG2-CE1 3.6Å; T476-F639 HydrophobicContact CG2-CZ 3.73Å; P477-F639 HydrophobicContact CG-CD1 3.89Å; P477-F639 HydrophobicContact CG-CE1 4.08Å; P477-F639 WeakPolarHBondContact O-CE1 3.22Å; T479-F639 HydrophobicContact CG2-CD1 4.07Å; T479-F639 HydrophobicContact CG2-CE1 3.49Å; T479-F639 VanDerWaalsContact CG2-CE1 3.49Å; T479-F639 HydrophobicContact CG2-CZ 4.02Å; M626-F639 CarbonylContact C-O 3.51Å; M626-F639 WeakPolarHBondContact CA-O 3.37Å; L627-F639 PolarHBondContact N-O 3.32Å; L627-F639 PolarHBondContact O-N 3.39Å; K637-F639 HydrophobicContact CB-CE2 3.87Å; K637-F639 HydrophobicContact CB-CZ 3.72Å; K637-F639 HydrophobicContact CD-CZ 4.26Å; F639-L644 HydrophobicContact CB-CD1 4.3Å; F639-L644 HydrophobicContact CB-CD2 3.73Å; F639-L644 HydrophobicContact CB-CG 4.04Å; F639-L644 HydrophobicContact CD1-CD2 4.18Å; F639-L644 HydrophobicContact CD2-CD2 4.48Å; F639-L644 HydrophobicContact CG-CD2 3.89Å; F639-L653 HydrophobicContact CE2-CD2 4.18Å
640	K	88.5	Confident	86	Confident	65 Å²	65	55 Å²	55	28%	0.283	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	137.2	163	-60.7	158.3	158.8	-81.1	0	108.9	L480 E624 M626 S642 S643 L644	L480-K640 HydrophobicContact CD1-CD 4.33Å; L480-K640 HydrophobicContact CD1-CG 4.19Å; E624-K640 WeakPolarHBondContact OE1-CB 3.02Å; E624-K640 WeakPolarHBondContact OE1-CD 3.48Å; E624-K640 WeakPolarHBondContact OE1-CG 3.49Å; E624-K640 IonicContact OE1-NZ 3.82Å; E624-K640 PolarHBondContact OE1-NZ 2.85Å; E624-K640 IonicContact OE2-NZ 3.42Å; E624-K640 PolarHBondContact OE2-NZ 2.78Å; M626-K640 HydrophobicContact CE-CB 4.44Å; M626-K640 HydrophobicContact CE-CG 3.81Å; M626-K640 HydrophobicContact SD-CB 4.17Å; M626-K640 HydrophobicContact SD-CG 3.72Å; K640-S642 VanDerWaalsContact CB-OG 3.25Å; K640-S642 WeakPolarHBondContact CB-OG 3.18Å; K640-S642 PolarHBondContact O-N 3.27Å; K640-S643 WeakPolarHBondContact O-CB 3.3Å; K640-S643 PolarHBondContact O-N 2.81Å; K640-L644 PolarHBondContact O-N 2.89Å
641	L	87.4	Confident	85.9	Confident	14 Å²	14	59.3 Å²	59.3	7%	0.073	32%	0.317	C	S	.	.	H	α-helix	trans	-62.5	-31.3	176.6	-158.1	75.3	0	0	0	111.6	V462 C466 L618 Y625 L644 L645	V462-L641 HydrophobicContact CG1-CD2 3.35Å; C466-L641 HydrophobicContact CB-CD1 3.99Å; C466-L641 HydrophobicContact CB-CD2 4.12Å; C466-L641 HydrophobicContact CB-CG 4.07Å; C466-L641 WeakPolarHBondContact SG-CD1 3.16Å; L618-L641 HydrophobicContact CD1-CD1 4.26Å; Y625-L641 HydrophobicContact CG-CD2 4.43Å; Y625-L641 VanDerWaalsContact O-CB 3.31Å; Y625-L641 WeakPolarHBondContact O-CB 3.04Å; Y625-L641 PolarHBondContact O-N 3.25Å; L641-L644 HydrophobicContact CD1-CD1 4.43Å; L641-L644 PolarHBondContact O-N 2.63Å; L641-L645 PolarHBondContact O-N 2.86Å
642	S	85.9	Confident	86.1	Confident	51 Å²	51	60.6 Å²	60.6	36%	0.357	32%	0.324	S	S	.	.	H	α-helix	trans	-57.3	-45.1	170	56.4	0	0	0	0	112.4	E624 K640 L645 T646	E624-S642 PolarHBondContact OE1-OG 2.82Å; K640-S642 VanDerWaalsContact CB-OG 3.25Å; K640-S642 WeakPolarHBondContact CB-OG 3.18Å; K640-S642 PolarHBondContact O-N 3.27Å; S642-L645 WeakPolarHBondContact O-CB 3.37Å; S642-L645 PolarHBondContact O-N 3.08Å; S642-T646 PolarHBondContact O-N 3.3Å; S642-T646 PolarHBondContact O-OG1 2.89Å
643	S	85.9	Confident	86.2	Confident	35 Å²	35	55 Å²	55	25%	0.245	30%	0.298	C	S	.	.	H	α-helix	trans	-66.8	-35.4	175.9	-56.6	0	0	0	0	112.8	K640 T646 S647	K640-S643 WeakPolarHBondContact O-CB 3.3Å; K640-S643 PolarHBondContact O-N 2.81Å; S643-T646 PolarHBondContact O-N 2.94Å; S643-S647 WeakPolarHBondContact O-CB 3.43Å; S643-S647 PolarHBondContact O-N 3.07Å
644	L	85.6	Confident	86.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.8	-36.3	175.4	-56.8	-171.5	0	0	0	112	M470 P477 L627 F639 K640 L641 T646 G648 C649	M470-L644 HydrophobicContact CE-CB 4.16Å; P477-L644 HydrophobicContact CG-CD2 3.52Å; L627-L644 HydrophobicContact CB-CD1 4.19Å; L627-L644 HydrophobicContact CD2-CD1 3.49Å; L627-L644 VanDerWaalsContact CD2-CD1 3.49Å; L627-L644 HydrophobicContact CG-CD1 4.47Å; F639-L644 HydrophobicContact CB-CD1 4.3Å; F639-L644 HydrophobicContact CB-CD2 3.73Å; F639-L644 HydrophobicContact CB-CG 4.04Å; F639-L644 HydrophobicContact CD1-CD2 4.18Å; F639-L644 HydrophobicContact CD2-CD2 4.48Å; F639-L644 HydrophobicContact CG-CD2 3.89Å; K640-L644 PolarHBondContact O-N 2.89Å; L641-L644 HydrophobicContact CD1-CD1 4.43Å; L641-L644 PolarHBondContact O-N 2.63Å; L644-T646 VanDerWaalsContact C-N 3.3Å; L644-T646 PolarHBondContact O-N 3.09Å; L644-G648 VanDerWaalsContact O-CA 3.29Å; L644-G648 WeakPolarHBondContact O-CA 3.22Å; L644-G648 PolarHBondContact O-N 3.39Å; L644-C649 HydrophobicContact CD2-CB 4.29Å
645	L	85.8	Confident	87.2	Confident	68 Å²	68	49.4 Å²	49.4	36%	0.356	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-34.4	173.3	-78.8	168.4	0	0	0	112.7	N469 P471 L641 S642	N469-L645 HydrophobicContact CB-CD2 3.65Å; P471-L645 WeakPolarHBondContact CD-O 3.41Å; L641-L645 PolarHBondContact O-N 2.86Å; S642-L645 WeakPolarHBondContact O-CB 3.37Å; S642-L645 PolarHBondContact O-N 3.08Å
646	T	84.3	Confident	87.8	Confident	114 Å²	114	47 Å²	47	70%	0.699	26%	0.258	S	S	*	.	H	α-helix	trans	-84.4	-41.9	177.9	-49.8	0	0	0	0	113.4	S642 S643 L644	S642-T646 PolarHBondContact O-N 3.3Å; S642-T646 PolarHBondContact O-OG1 2.89Å; S643-T646 PolarHBondContact O-N 2.94Å; L644-T646 VanDerWaalsContact C-N 3.3Å; L644-T646 PolarHBondContact O-N 3.09Å
647	S	84.8	Confident	88.2	Confident	62 Å²	62	43.4 Å²	43.4	43%	0.434	23%	0.233	S	C	.	.	H	α-helix	trans	-107.3	-8.2	-167.8	-59.3	0	0	0	0	114.8	A473 S643	A473-S647 WeakPolarHBondContact CB-O 3.28Å; S643-S647 WeakPolarHBondContact O-CB 3.43Å; S643-S647 PolarHBondContact O-N 3.07Å
648	G	86.3	Confident	88.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.			trans	75.9	-170.7	-174.3	0	0	0	0	0	113.1	P471 L644	P471-G648 WeakPolarHBondContact O-CA 3.5Å; L644-G648 VanDerWaalsContact O-CA 3.29Å; L644-G648 WeakPolarHBondContact O-CA 3.22Å; L644-G648 PolarHBondContact O-N 3.39Å
649	C	88.3	Confident	88.8	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.02	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-152.4	161.4	167.2	77.2	0	0	0	0	111.4	M470 A473 L644 L653	M470-C649 HydrophobicContact SD-CB 4.29Å; M470-C649 PolarHBondContact SD-SG 3.23Å; A473-C649 VanDerWaalsContact O-O 3.14Å; L644-C649 HydrophobicContact CD2-CB 4.29Å; C649-L653 HydrophobicContact CB-CD2 4.12Å
650	P	88.1	Confident	89.1	Confident	34 Å²	34	42.9 Å²	42.9	22%	0.221	23%	0.234	C	C	.	.			trans	-56.2	147.5	178.4	-26	35.2	0	0	0	113.4	D652 L653 R654	P650-D652 VanDerWaalsContact C-N 3.3Å; P650-D652 PolarHBondContact O-N 3.12Å; P650-L653 PolarHBondContact O-N 2.91Å; P650-L653 VanDerWaalsContact O-N 3.08Å; P650-R654 PolarHBondContact O-N 2.94Å
651	N	87.4	Confident	89.3	Confident	98 Å²	98	40.3 Å²	40.3	52%	0.524	22%	0.224	S	C	.	.	H	α-helix	trans	-58.2	-34.8	-171.5	-176.1	60.7	0	0	0	114.4	R654 Q655	N651-R654 PolarHBondContact O-N 2.79Å; N651-Q655 PolarHBondContact ND2-NE2 2.65Å; N651-Q655 VanDerWaalsContact ND2-NE2 3.16Å; N651-Q655 WeakPolarHBondContact O-CB 3.31Å; N651-Q655 WeakPolarHBondContact O-CG 3.49Å; N651-Q655 PolarHBondContact O-N 3.39Å
652	D	88.3	Confident	89.5	Confident	63 Å²	63	42.5 Å²	42.5	34%	0.337	24%	0.236	S	C	.	.	H	α-helix	trans	-58.2	-51.6	173.8	171.3	78	0	0	0	111.9	Y629 P650 R654 Q655 R656	Y629-D652 PolarHBondContact OH-OD2 3.48Å; P650-D652 VanDerWaalsContact C-N 3.3Å; P650-D652 PolarHBondContact O-N 3.12Å; D652-R654 VanDerWaalsContact C-N 3.31Å; D652-R654 PolarHBondContact O-N 3.48Å; D652-Q655 PolarHBondContact O-N 2.94Å; D652-R656 WeakPolarHBondContact O-CG 3.37Å; D652-R656 PolarHBondContact O-N 3.09Å; D652-R656 IonicContact OD1-CZ 2.7Å; D652-R656 VanDerWaalsContact OD1-CZ 3.24Å; D652-R656 IonicContact OD1-NE 2.89Å; D652-R656 PolarHBondContact OD1-NE 3.28Å; D652-R656 IonicContact OD1-NH2 2.78Å; D652-R656 PolarHBondContact OD1-NH2 2.82Å; D652-R656 IonicContact OD2-CZ 3.84Å; D652-R656 IonicContact OD2-NE 3.12Å; D652-R656 PolarHBondContact OD2-NE 3.1Å; D652-R656 IonicContact OD2-NH2 3.9Å
653	L	90.4	Very high	89.7	Confident	6 Å²	6	40.1 Å²	40.1	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-62.9	-39.2	177.6	-178.4	54.8	0	0	0	111.2	I616 L627 Y629 F639 C649 P650 R656 L657	I616-L653 HydrophobicContact CD1-CD1 3.94Å; I616-L653 HydrophobicContact CG1-CD1 4.19Å; L627-L653 HydrophobicContact CD2-CD1 4.34Å; L627-L653 HydrophobicContact CD2-CD2 4.35Å; Y629-L653 HydrophobicContact CD1-CD1 4.24Å; Y629-L653 HydrophobicContact CD2-CD1 3.82Å; Y629-L653 HydrophobicContact CE2-CD1 4.31Å; Y629-L653 HydrophobicContact CG-CD1 3.8Å; F639-L653 HydrophobicContact CE2-CD2 4.18Å; C649-L653 HydrophobicContact CB-CD2 4.12Å; P650-L653 PolarHBondContact O-N 2.91Å; P650-L653 VanDerWaalsContact O-N 3.08Å; L653-R656 PolarHBondContact O-N 2.87Å; L653-L657 HydrophobicContact CD1-CD1 4.5Å; L653-L657 HydrophobicContact CD1-CG 4.41Å; L653-L657 HydrophobicContact CG-CD1 4.23Å; L653-L657 WeakPolarHBondContact O-CB 3.45Å; L653-L657 VanDerWaalsContact O-CG 3.29Å; L653-L657 WeakPolarHBondContact O-CG 3.47Å; L653-L657 PolarHBondContact O-N 3.02Å
654	R	91.7	Very high	89.7	Confident	52 Å²	52	38.7 Å²	38.7	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-42.5	174.7	-163.3	177.8	-170.4	135	3.5	112.2	L467 M470 P471 P650 N651 D652 L657 V658	L467-R654 HydrophobicContact CD2-CG 3.87Å; L467-R654 PolarHBondContact O-NH2 3.5Å; M470-R654 VanDerWaalsContact O-CZ 3.25Å; M470-R654 PolarHBondContact O-NH1 3.34Å; M470-R654 PolarHBondContact O-NH2 2.99Å; M470-R654 HydrophobicContact SD-CG 4.32Å; P471-R654 PolarHBondContact O-NH1 2.83Å; P650-R654 PolarHBondContact O-N 2.94Å; N651-R654 PolarHBondContact O-N 2.79Å; D652-R654 VanDerWaalsContact C-N 3.31Å; D652-R654 PolarHBondContact O-N 3.48Å; R654-L657 PolarHBondContact O-N 2.85Å; R654-V658 WeakPolarHBondContact O-CG2 3.42Å; R654-V658 PolarHBondContact O-N 2.92Å
655	Q	91.9	Very high	89.7	Confident	119 Å²	119	42 Å²	42	56%	0.556	23%	0.226	S	C	*	.	H	α-helix	trans	-65	-41.6	176.8	-74.6	178.2	-7.3	0	0	111.9	N651 D652 V658 Y659	N651-Q655 PolarHBondContact ND2-NE2 2.65Å; N651-Q655 VanDerWaalsContact ND2-NE2 3.16Å; N651-Q655 WeakPolarHBondContact O-CB 3.31Å; N651-Q655 WeakPolarHBondContact O-CG 3.49Å; N651-Q655 PolarHBondContact O-N 3.39Å; D652-Q655 PolarHBondContact O-N 2.94Å; Q655-V658 PolarHBondContact O-N 3.5Å; Q655-Y659 PolarHBondContact O-N 3.29Å
656	R	94.2	Very high	89.5	Confident	26 Å²	26	41 Å²	41	10%	0.098	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-38.5	175	-67.6	172.3	-165.3	-73.7	-11.4	112.4	F609 D612 T614 I616 Y629 D652 L653 Y659 S660	F609-R656 HydrophobicContact CE1-CB 4.44Å; F609-R656 HydrophobicContact CE1-CG 4.32Å; F609-R656 HydrophobicContact CE2-CB 3.96Å; F609-R656 HydrophobicContact CE2-CG 4.13Å; F609-R656 HydrophobicContact CZ-CB 3.7Å; F609-R656 HydrophobicContact CZ-CG 3.96Å; D612-R656 IonicContact OD1-NH1 3.41Å; D612-R656 PolarHBondContact OD1-NH1 2.86Å; D612-R656 VanDerWaalsContact OD1-NH1 3.16Å; D612-R656 IonicContact OD2-CZ 3.27Å; D612-R656 VanDerWaalsContact OD2-CZ 3.25Å; D612-R656 IonicContact OD2-NH1 2.6Å; D612-R656 PolarHBondContact OD2-NH1 2.99Å; D612-R656 IonicContact OD2-NH2 3.52Å; D612-R656 PolarHBondContact OD2-NH2 2.75Å; T614-R656 PolarHBondContact OG1-NH1 2.85Å; I616-R656 HydrophobicContact CD1-CB 3.55Å; Y629-R656 WeakPolarHBondContact OH-CD 3.47Å; Y629-R656 PolarHBondContact OH-NE 2.99Å; Y629-R656 VanDerWaalsContact OH-NE 3.09Å; D652-R656 WeakPolarHBondContact O-CG 3.37Å; D652-R656 PolarHBondContact O-N 3.09Å; D652-R656 IonicContact OD1-CZ 2.7Å; D652-R656 VanDerWaalsContact OD1-CZ 3.24Å; D652-R656 IonicContact OD1-NE 2.89Å; D652-R656 PolarHBondContact OD1-NE 3.28Å; D652-R656 IonicContact OD1-NH2 2.78Å; D652-R656 PolarHBondContact OD1-NH2 2.82Å; D652-R656 IonicContact OD2-CZ 3.84Å; D652-R656 IonicContact OD2-NE 3.12Å; D652-R656 PolarHBondContact OD2-NE 3.1Å; D652-R656 IonicContact OD2-NH2 3.9Å; L653-R656 PolarHBondContact O-N 2.87Å; R656-Y659 PolarHBondContact O-N 3.36Å; R656-S660 WeakPolarHBondContact O-CB 3.42Å; R656-S660 PolarHBondContact O-N 3.33Å; R656-S660 PolarHBondContact O-OG 2.88Å
657	L	94	Very high	88.7	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-45.3	172.6	-76.7	167.5	0	0	0	111.9	L463 L467 M470 I616 L627 L653 R654 Y659 S660 L661	L463-L657 HydrophobicContact CD2-CD2 3.72Å; L467-L657 HydrophobicContact CD1-CB 4.19Å; L467-L657 HydrophobicContact CD2-CB 3.79Å; L467-L657 HydrophobicContact CG-CB 4.26Å; M470-L657 HydrophobicContact CE-CD1 4.11Å; I616-L657 HydrophobicContact CD1-CD2 4.15Å; I616-L657 HydrophobicContact CD1-CG 4.12Å; L627-L657 HydrophobicContact CD1-CD2 3.84Å; L627-L657 HydrophobicContact CD2-CD1 3.99Å; L627-L657 HydrophobicContact CD2-CD2 3.94Å; L627-L657 HydrophobicContact CD2-CG 4.38Å; L653-L657 HydrophobicContact CD1-CD1 4.5Å; L653-L657 HydrophobicContact CD1-CG 4.41Å; L653-L657 HydrophobicContact CG-CD1 4.23Å; L653-L657 WeakPolarHBondContact O-CB 3.45Å; L653-L657 VanDerWaalsContact O-CG 3.29Å; L653-L657 WeakPolarHBondContact O-CG 3.47Å; L653-L657 PolarHBondContact O-N 3.02Å; R654-L657 PolarHBondContact O-N 2.85Å; L657-Y659 PolarHBondContact O-N 3.19Å; L657-S660 WeakPolarHBondContact O-CB 3.38Å; L657-S660 PolarHBondContact O-N 3.28Å; L657-L661 PolarHBondContact O-N 3.31Å
658	V	94.3	Very high	87.2	Confident	62 Å²	62	36.9 Å²	36.9	38%	0.376	19%	0.193	S	C	.	.	H	α-helix	trans	-60.1	-44.7	175.4	171	0	0	0	0	111.3	L467 R654 Q655 S660 L661 N662	L467-V658 HydrophobicContact CD1-CB 4.49Å; L467-V658 HydrophobicContact CD1-CG2 3.94Å; L467-V658 HydrophobicContact CD2-CG2 3.75Å; L467-V658 HydrophobicContact CG-CG2 4.43Å; R654-V658 WeakPolarHBondContact O-CG2 3.42Å; R654-V658 PolarHBondContact O-N 2.92Å; Q655-V658 PolarHBondContact O-N 3.5Å; V658-S660 VanDerWaalsContact C-N 3.32Å; V658-S660 PolarHBondContact O-N 2.85Å; V658-L661 PolarHBondContact O-N 3.45Å; V658-N662 VanDerWaalsContact O-CG 3.28Å; V658-N662 PolarHBondContact O-N 2.91Å; V658-N662 PolarHBondContact O-ND2 3.04Å
659	Y	94.1	Very high	85.1	Confident	26 Å²	26	42.5 Å²	42.5	10%	0.102	23%	0.233	C	C	.	.	H	α-helix	trans	-61.9	-41	175.9	-170.1	-91	0	0	0	112	I429 S592 R594 A595 F609 Q655 R656 L657 N662 M663	I429-Y659 HydrophobicContact CD1-CD2 4.03Å; I429-Y659 HydrophobicContact CD1-CE1 4.37Å; I429-Y659 HydrophobicContact CD1-CE2 3.71Å; I429-Y659 HydrophobicContact CD1-CG 4.48Å; I429-Y659 HydrophobicContact CG1-CD2 4.37Å; I429-Y659 HydrophobicContact CG1-CE2 3.7Å; S592-Y659 WeakPolarHBondContact CB-OH 3.39Å; S592-Y659 PolarHBondContact OG-OH 2.86Å; R594-Y659 HydrophobicContact CB-CE1 4.36Å; A595-Y659 HydrophobicContact CB-CE1 4.03Å; F609-Y659 AromaticContact CE1-CD1 3.73Å; F609-Y659 HydrophobicContact CE1-CD1 3.73Å; F609-Y659 HydrophobicContact CE1-CE1 4.39Å; F609-Y659 HydrophobicContact CE1-CG 4.32Å; F609-Y659 HydrophobicContact CZ-CD1 4.38Å; Q655-Y659 PolarHBondContact O-N 3.29Å; R656-Y659 PolarHBondContact O-N 3.36Å; L657-Y659 PolarHBondContact O-N 3.19Å; Y659-N662 PolarHBondContact O-N 3.04Å; Y659-M663 HydrophobicContact CD1-CG 4.16Å; Y659-M663 HydrophobicContact CD1-SD 4.1Å; Y659-M663 HydrophobicContact CE1-CG 3.82Å; Y659-M663 HydrophobicContact CE1-SD 3.56Å; Y659-M663 VanDerWaalsContact CE1-SD 3.56Å; Y659-M663 PolarHBondContact O-N 2.83Å
660	S	94.2	Very high	85	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-42	178.4	-57.2	0	0	0	0	112.4	R656 L657 V658 M663 L664	R656-S660 WeakPolarHBondContact O-CB 3.42Å; R656-S660 PolarHBondContact O-N 3.33Å; R656-S660 PolarHBondContact O-OG 2.88Å; L657-S660 WeakPolarHBondContact O-CB 3.38Å; L657-S660 PolarHBondContact O-N 3.28Å; V658-S660 VanDerWaalsContact C-N 3.32Å; V658-S660 PolarHBondContact O-N 2.85Å; S660-M663 PolarHBondContact O-N 2.8Å; S660-L664 PolarHBondContact O-N 3.48Å
661	L	92.8	Very high	84.8	Confident	12 Å²	12	45 Å²	45	6%	0.063	24%	0.244	C	C	.	.	H	α-helix	trans	-62.6	-43.6	172.4	176.1	59.9	0	0	0	111.3	A460 L463 R464 L467 L657 V658 M663 L664 L665	A460-L661 HydrophobicContact CB-CD1 3.97Å; A460-L661 WeakPolarHBondContact O-CD1 3.13Å; L463-L661 HydrophobicContact CB-CB 4.49Å; L463-L661 HydrophobicContact CB-CD1 4.17Å; R464-L661 HydrophobicContact CB-CD1 4.42Å; R464-L661 HydrophobicContact CB-CD2 3.98Å; L467-L661 HydrophobicContact CD1-CB 4.13Å; L467-L661 HydrophobicContact CD1-CD2 3.86Å; L657-L661 PolarHBondContact O-N 3.31Å; V658-L661 PolarHBondContact O-N 3.45Å; L661-M663 VanDerWaalsContact C-N 3.3Å; L661-M663 PolarHBondContact O-N 2.77Å; L661-L664 WeakPolarHBondContact O-CB 3.48Å; L661-L664 PolarHBondContact O-N 2.88Å; L661-L664 VanDerWaalsContact O-N 3.09Å; L661-L665 HydrophobicContact CD1-CD1 4.01Å; L661-L665 HydrophobicContact CD1-CD2 4.49Å; L661-L665 HydrophobicContact CD1-CG 4.07Å; L661-L665 HydrophobicContact CG-CD1 3.9Å; L661-L665 HydrophobicContact CG-CG 4.38Å; L661-L665 WeakPolarHBondContact O-CG 3.45Å; L661-L665 PolarHBondContact O-N 3.28Å
662	N	91.4	Very high	84.7	Confident	60 Å²	60	42.1 Å²	42.1	32%	0.321	23%	0.229	S	C	.	.	H	α-helix	trans	-62.8	-35.2	177.7	-70.3	-18.5	0	0	0	112.4	I429 V658 Y659 L665 Q666	I429-N662 HydrophobicContact CD1-CB 3.57Å; V658-N662 VanDerWaalsContact O-CG 3.28Å; V658-N662 PolarHBondContact O-N 2.91Å; V658-N662 PolarHBondContact O-ND2 3.04Å; Y659-N662 PolarHBondContact O-N 3.04Å; N662-L665 PolarHBondContact O-N 3.09Å; N662-Q666 WeakPolarHBondContact O-CG 3.25Å; N662-Q666 PolarHBondContact O-N 3.49Å; N662-Q666 VanDerWaalsContact O-N 3.08Å
663	M	89.6	Confident	84.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-34	171.8	-72.4	-166.7	76.7	0	0	113.5	I429 L590 A595 M597 V607 Y659 S660 L661	I429-M663 HydrophobicContact CD1-CG 3.89Å; I429-M663 HydrophobicContact CG2-CG 4.39Å; L590-M663 HydrophobicContact CB-CE 4.35Å; A595-M663 HydrophobicContact CB-SD 4.04Å; M597-M663 HydrophobicContact CB-CB 4.49Å; M597-M663 HydrophobicContact CB-CE 3.6Å; M597-M663 HydrophobicContact CB-SD 4.03Å; V607-M663 HydrophobicContact CG1-SD 4.4Å; Y659-M663 HydrophobicContact CD1-CG 4.16Å; Y659-M663 HydrophobicContact CD1-SD 4.1Å; Y659-M663 HydrophobicContact CE1-CG 3.82Å; Y659-M663 HydrophobicContact CE1-SD 3.56Å; Y659-M663 VanDerWaalsContact CE1-SD 3.56Å; Y659-M663 PolarHBondContact O-N 2.83Å; S660-M663 PolarHBondContact O-N 2.8Å; L661-M663 VanDerWaalsContact C-N 3.3Å; L661-M663 PolarHBondContact O-N 2.77Å
664	L	86.6	Confident	84.1	Confident	6 Å²	6	43 Å²	43	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-69.7	-38.4	173.6	-82.9	161.4	0	0	0	112.5	A456 V459 A460 L463 M597 F605 S660 L661 R667	A456-L664 HydrophobicContact CB-CD2 4.32Å; V459-L664 HydrophobicContact CB-CD1 4.45Å; V459-L664 HydrophobicContact CG1-CD1 3.66Å; A460-L664 HydrophobicContact CB-CB 4.22Å; A460-L664 HydrophobicContact CB-CD1 4.38Å; L463-L664 HydrophobicContact CD1-CD1 3.59Å; M597-L664 HydrophobicContact CE-CD2 3.8Å; M597-L664 HydrophobicContact CE-CG 4.08Å; F605-L664 HydrophobicContact CD1-CD1 4.39Å; F605-L664 HydrophobicContact CD2-CD1 4.03Å; F605-L664 HydrophobicContact CD2-CD2 3.94Å; F605-L664 HydrophobicContact CD2-CG 4.15Å; F605-L664 HydrophobicContact CE1-CD1 3.93Å; F605-L664 HydrophobicContact CE2-CD1 3.5Å; F605-L664 HydrophobicContact CE2-CD2 3.6Å; F605-L664 HydrophobicContact CE2-CG 3.39Å; F605-L664 HydrophobicContact CG-CD1 4.43Å; F605-L664 HydrophobicContact CZ-CD1 3.44Å; F605-L664 VanDerWaalsContact CZ-CD1 3.44Å; F605-L664 HydrophobicContact CZ-CD2 4.37Å; F605-L664 HydrophobicContact CZ-CG 3.67Å; S660-L664 PolarHBondContact O-N 3.48Å; L661-L664 WeakPolarHBondContact O-CB 3.48Å; L661-L664 PolarHBondContact O-N 2.88Å; L661-L664 VanDerWaalsContact O-N 3.09Å; L664-R667 WeakPolarHBondContact O-CB 3.45Å
665	L	86.1	Confident	83.6	Confident	69 Å²	69	42.4 Å²	42.4	36%	0.361	24%	0.237	S	C	.	.	H	α-helix	trans	-76.2	-35.5	-175.9	-65.1	172.2	0	0	0	112.7	A460 L661 N662 R667	A460-L665 HydrophobicContact CB-CD2 4.23Å; L661-L665 HydrophobicContact CD1-CD1 4.01Å; L661-L665 HydrophobicContact CD1-CD2 4.49Å; L661-L665 HydrophobicContact CD1-CG 4.07Å; L661-L665 HydrophobicContact CG-CD1 3.9Å; L661-L665 HydrophobicContact CG-CG 4.38Å; L661-L665 WeakPolarHBondContact O-CG 3.45Å; L661-L665 PolarHBondContact O-N 3.28Å; N662-L665 PolarHBondContact O-N 3.09Å; L665-R667 PolarHBondContact O-N 2.59Å
666	Q	80.2	Confident	83	Confident	47 Å²	47	36.9 Å²	36.9	22%	0.22	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-79	3.8	176.4	-65.2	-172.6	5.4	0	0	113.9	I429 N662 C668 S669	I429-Q666 PolarHBondContact O-OE1 2.96Å; N662-Q666 WeakPolarHBondContact O-CG 3.25Å; N662-Q666 PolarHBondContact O-N 3.49Å; N662-Q666 VanDerWaalsContact O-N 3.08Å; Q666-C668 VanDerWaalsContact C-N 3.26Å; Q666-C668 PolarHBondContact O-N 3.42Å; Q666-S669 WeakPolarHBondContact O-CB 3.5Å; Q666-S669 PolarHBondContact O-N 2.81Å
667	R	68.8	Low	82.1	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.015	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-59.3	-36.1	177.1	-176.1	176.6	74	77.2	18.2	112.9	R434 E448 Q588 L590 L664 L665	R434-R667 PolarHBondContact NH1-O 2.8Å; E448-R667 IonicContact OE1-CZ 2.65Å; E448-R667 VanDerWaalsContact OE1-CZ 3.31Å; E448-R667 IonicContact OE1-NH1 2.82Å; E448-R667 PolarHBondContact OE1-NH1 2.97Å; E448-R667 IonicContact OE1-NH2 2.97Å; E448-R667 IonicContact OE2-CZ 3.75Å; E448-R667 IonicContact OE2-NH1 3.85Å; E448-R667 PolarHBondContact OE2-NH1 3.3Å; E448-R667 IonicContact OE2-NH2 2.78Å; E448-R667 PolarHBondContact OE2-NH2 3.24Å; Q588-R667 VanDerWaalsContact OE1-CD 3.29Å; L590-R667 HydrophobicContact CD1-CB 3.78Å; L590-R667 HydrophobicContact CD1-CG 3.68Å; L664-R667 WeakPolarHBondContact O-CB 3.45Å; L665-R667 PolarHBondContact O-N 2.59Å
668	C	52.1	Low	81.2	Confident	85 Å²	85	40.8 Å²	40.8	57%	0.574	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-90.6	6.5	-179.1	-42	0	0	0	0	113.7	Q666	Q666-C668 VanDerWaalsContact C-N 3.26Å; Q666-C668 PolarHBondContact O-N 3.42Å
669	S	43.8	Very low	80	Confident	118 Å²	118	38.8 Å²	38.8	83%	0.825	23%	0.228	S	C	*	.			trans	-92.2	0	176	-54.4	0	0	0	0	113	R434 Q666	R434-S669 PolarHBondContact NH1-OXT 3.44Å; Q666-S669 WeakPolarHBondContact O-CB 3.5Å; Q666-S669 PolarHBondContact O-N 2.81Å

Retrieved 669 of 669 residues in 333 ms (Link to these results)

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