A0A087Y9W1_POEFO Loading...

Malic enzyme

AlphaFold DB , UniProt , Accession A0A087Y9W1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 618 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	27.4	Very low	241 Å²	241	146.5 Å²	146.5	100%	1.187	89%	0.886	S	S	*	*				0	133.4	0	-80.9	173.9	-173.4	0	0	108.4
2	N	29.5	Very low	27.2	Very low	168 Å²	168	148.2 Å²	148.2	90%	0.898	89%	0.885	S	S	*	*			trans	71.1	70.5	178.7	-62.5	-1	0	0	0	117.9
3	S	26.3	Very low	27	Very low	113 Å²	113	147.1 Å²	147.1	79%	0.79	89%	0.886	S	S	*	*			trans	-88	134.3	152.7	49.6	0	0	0	0	110.9
4	L	26.6	Very low	26.9	Very low	178 Å²	178	154.1 Å²	154.1	93%	0.932	89%	0.889	S	S	*	*			trans	-142.5	150.5	151.1	-90.6	170.3	0	0	0	109.3
5	P	35.1	Very low	26.8	Very low	120 Å²	120	160.7 Å²	160.7	78%	0.779	89%	0.894	S	S	*	*			trans	-117.4	165.2	-147.2	36.7	-20.9	0	0	0	113.4
6	G	24.7	Very low	26.7	Very low	79 Å²	79	157.1 Å²	157.1	81%	0.814	89%	0.891	S	S	*	*			trans	-168.3	73.4	173.2	0	0	0	0	0	112.9
7	K	28	Very low	26.8	Very low	221 Å²	221	153.9 Å²	153.9	96%	0.961	89%	0.888	S	S	*	*			trans	-75.1	121.4	159.7	-77.3	-178.7	175.1	178.2	0	107.9
8	A	24.4	Very low	26.9	Very low	102 Å²	102	151.2 Å²	151.2	84%	0.843	89%	0.888	S	S	*	*			trans	-128.4	104.8	153.7	0	0	0	0	0	107.4
9	A	25.4	Very low	26.8	Very low	98 Å²	98	147.6 Å²	147.6	81%	0.81	89%	0.886	S	S	*	*			trans	-71.4	136.6	178.2	0	0	0	0	0	110.3	S11	A9-S11 PolarHBondContact O-N 3.39Å
10	L	25.1	Very low	26.7	Very low	175 Å²	175	144.4 Å²	144.4	92%	0.916	88%	0.884	S	S	*	*			trans	-55.3	121.8	165.5	-76.9	139.5	0	0	0	109.9
11	S	23.7	Very low	26.5	Very low	116 Å²	116	146.5 Å²	146.5	81%	0.811	89%	0.886	S	S	*	*			trans	-107.5	116	165.6	85	0	0	0	0	109.7	A9	A9-S11 PolarHBondContact O-N 3.39Å
12	L	25.9	Very low	26.2	Very low	167 Å²	167	147 Å²	147	87%	0.874	88%	0.875	S	S	*	*			trans	-83.2	122.9	171.8	-83.9	146.3	0	0	0	108.5	R14	L12-R14 PolarHBondContact O-N 3.05Å; L12-R14 VanDerWaalsContact O-N 3.14Å
13	C	24.4	Very low	26	Very low	134 Å²	134	144.9 Å²	144.9	91%	0.905	87%	0.868	S	S	*	*			trans	-68.5	106	168	-87.7	0	0	0	0	110.4
14	R	25.2	Very low	25.9	Very low	245 Å²	245	147.9 Å²	147.9	93%	0.925	87%	0.874	S	S	*	*			trans	-86.1	127.5	152.4	-83.1	-177.6	173.7	-177.7	-1.9	108.2	L12	L12-R14 PolarHBondContact O-N 3.05Å; L12-R14 VanDerWaalsContact O-N 3.14Å
15	R	25.2	Very low	25.8	Very low	254 Å²	254	145.4 Å²	145.4	96%	0.958	87%	0.866	S	S	*	*			trans	-74.7	136.1	165.4	-80.1	-178.2	176.6	-174.4	-1.1	109.6
16	A	25.7	Very low	25.4	Very low	102 Å²	102	144 Å²	144	84%	0.843	86%	0.864	S	S	*	*			trans	-130	141.6	153.1	0	0	0	0	0	108
17	A	28.6	Very low	25.6	Very low	103 Å²	103	146 Å²	146	85%	0.851	86%	0.863	S	S	*	*			trans	-80	168	-171.9	0	0	0	0	0	113.6
18	A	28.1	Very low	25.7	Very low	106 Å²	106	141.9 Å²	141.9	88%	0.876	86%	0.859	S	S	*	*			trans	95.4	113.3	159.4	0	0	0	0	0	118.8
19	G	24.9	Very low	25.8	Very low	83 Å²	83	141 Å²	141	86%	0.856	86%	0.86	S	S	*	*				96.1	123.6	123.3	0	0	0	0	0	118.5
20	G	24.2	Very low	25.8	Very low	82 Å²	82	148 Å²	148	85%	0.845	87%	0.865	S	S	*	*			trans	103.8	98.9	141.6	0	0	0	0	0	116.9
21	M	24	Very low	26.4	Very low	189 Å²	189	144.9 Å²	144.9	93%	0.931	86%	0.855	S	S	*	*			trans	-61.6	130.8	166.6	-155.4	161.2	84.4	0	0	111.1
22	R	24.7	Very low	26.5	Very low	252 Å²	252	146.4 Å²	146.4	95%	0.951	86%	0.86	S	S	*	*			trans	-158.7	123.1	153.6	-111	174.5	-170.1	-167.1	2.2	111.9
23	V	25.8	Very low	26.6	Very low	123 Å²	123	145.8 Å²	145.8	75%	0.745	86%	0.862	S	S	*	*			trans	-77.9	135.9	173.8	172.4	0	0	0	0	109.3	V25	V23-V25 HydrophobicContact CG1-CG2 4.3Å
24	L	24.3	Very low	26.6	Very low	176 Å²	176	142.9 Å²	142.9	92%	0.921	86%	0.855	S	S	*	*			trans	-141.6	128.3	159.6	-91.9	167.6	0	0	0	110.3
25	V	24.8	Very low	26.8	Very low	127 Å²	127	136.2 Å²	136.2	77%	0.77	85%	0.853	S	S	*	*			trans	-104	138.7	-179.3	171.3	0	0	0	0	108.9	V23	V23-V25 HydrophobicContact CG1-CG2 4.3Å
26	A	26.2	Very low	26.8	Very low	90 Å²	90	133 Å²	133	74%	0.744	85%	0.849	S	S	*	*			trans	-173.5	168.8	145.8	0	0	0	0	0	110.4
27	P	29.1	Very low	27	Very low	122 Å²	122	133.2 Å²	133.2	79%	0.792	85%	0.851	S	S	*	*				-125.2	-173.3	-97.1	34.8	-12.2	0	0	0	113.2
28	P	30.5	Very low	26.9	Very low	134 Å²	134	135.7 Å²	135.7	87%	0.87	85%	0.849	S	S	*	*			trans	-95.6	147.2	-154.9	37.1	-32.2	0	0	0	114.8
29	G	25.8	Very low	27	Very low	83 Å²	83	142.8 Å²	142.8	86%	0.856	85%	0.853	S	S	*	*			trans	-128.9	131.9	166.3	0	0	0	0	0	110.5
30	R	26.5	Very low	27.2	Very low	246 Å²	246	142.9 Å²	142.9	93%	0.928	85%	0.846	S	S	*	*			trans	-118	176.4	-171.6	-136.7	-170.5	-157.3	-168.9	6	108.6
31	P	36.6	Very low	27.3	Very low	109 Å²	109	142.7 Å²	142.7	71%	0.708	84%	0.837	S	S	*	*				-115.3	163.7	-87.5	36.8	-22	0	0	0	112.8
32	T	26.2	Very low	27.5	Very low	148 Å²	148	141.6 Å²	141.6	91%	0.908	83%	0.834	S	S	*	*			trans	-141.4	145.3	156.6	43.3	0	0	0	0	112.5
33	V	27.2	Very low	27.5	Very low	153 Å²	153	138.1 Å²	138.1	93%	0.927	83%	0.828	S	S	*	*			trans	-83.7	143.8	-164.7	174.5	0	0	0	0	111.7
34	G	25	Very low	27.7	Very low	73 Å²	73	135.8 Å²	135.8	75%	0.753	82%	0.822	S	S	*	*			trans	177.2	92	166.7	0	0	0	0	0	111.9	Q36	G34-Q36 PolarHBondContact O-N 2.73Å
35	A	30.2	Very low	27.8	Very low	106 Å²	106	133.9 Å²	133.9	88%	0.876	82%	0.817	S	S	*	*			trans	-69.6	118.4	176.4	0	0	0	0	0	111.1
36	Q	25.1	Very low	28	Very low	186 Å²	186	137.3 Å²	137.3	87%	0.869	82%	0.816	S	S	*	*			trans	-149.4	123.2	156.3	-108.3	171.2	0.2	0	0	108.4	G34 D38	G34-Q36 PolarHBondContact O-N 2.73Å; Q36-D38 PolarHBondContact O-N 2.75Å; Q36-D38 VanDerWaalsContact O-N 3.14Å
37	A	30	Very low	28.1	Very low	107 Å²	107	138.3 Å²	138.3	88%	0.884	81%	0.813	S	S	*	*			trans	-74.6	97	-176.1	0	0	0	0	0	110.4
38	D	25.3	Very low	27.9	Very low	154 Å²	154	137.1 Å²	137.1	82%	0.824	81%	0.807	S	S	*	*			trans	-87.9	105.9	167.1	-89.3	-27.7	0	0	0	110.2	Q36 A40	Q36-D38 PolarHBondContact O-N 2.75Å; Q36-D38 VanDerWaalsContact O-N 3.14Å; D38-A40 PolarHBondContact O-N 3.24Å
39	R	30.7	Very low	28	Very low	255 Å²	255	138.4 Å²	138.4	96%	0.962	80%	0.801	S	S	*	*			trans	-66.6	85.4	160	-92.6	-179.7	166.5	178.2	-4.4	108.3
40	A	28.1	Very low	28	Very low	85 Å²	85	140.4 Å²	140.4	70%	0.702	80%	0.802	S	S	*	*			trans	-90.9	114.7	173.8	0	0	0	0	0	111.3	D38	D38-A40 PolarHBondContact O-N 3.24Å
41	A	28	Very low	28.1	Very low	79 Å²	79	131.1 Å²	131.1	65%	0.653	78%	0.783	S	S	*	*			trans	52	109.5	145.7	0	0	0	0	0	119.5	Q43	A41-Q43 VanDerWaalsContact C-N 3.31Å; A41-Q43 PolarHBondContact O-N 3.49Å
42	L	27.9	Very low	27.7	Very low	165 Å²	165	132.4 Å²	132.4	86%	0.864	79%	0.788	S	S	*	*			trans	-47.7	91.9	148.9	-79.9	145.1	0	0	0	110.4	A44	L42-A44 PolarHBondContact O-N 3.3Å
43	Q	24.6	Very low	28.2	Very low	179 Å²	179	132 Å²	132	84%	0.836	78%	0.781	S	S	*	*			trans	-91	85	160.1	-77.9	-173.8	-4.1	0	0	107.5	A41 V45	A41-Q43 VanDerWaalsContact C-N 3.31Å; A41-Q43 PolarHBondContact O-N 3.49Å; Q43-V45 PolarHBondContact O-N 3.2Å
44	A	29	Very low	28.9	Very low	74 Å²	74	133.2 Å²	133.2	61%	0.612	78%	0.776	S	S	*	*			trans	-58.8	123.3	161.9	0	0	0	0	0	107.8	L42 R46	L42-A44 PolarHBondContact O-N 3.3Å; A44-R46 VanDerWaalsContact C-N 3.34Å; A44-R46 PolarHBondContact O-N 2.85Å
45	V	26.7	Very low	30.5	Very low	136 Å²	136	136.9 Å²	136.9	82%	0.824	77%	0.772	S	S	*	*			trans	-58	100.2	169.1	175.8	0	0	0	0	107	Q43 V47	Q43-V45 PolarHBondContact O-N 3.2Å; V45-V47 PolarHBondContact O-N 3.23Å
46	R	29.9	Very low	32.2	Very low	199 Å²	199	133.5 Å²	133.5	75%	0.751	75%	0.747	S	S	*	*			trans	-63.2	109.3	166.2	-90.6	-178.5	171.6	-179.7	-2.6	106.4	A44 C48	A44-R46 VanDerWaalsContact C-N 3.34Å; A44-R46 PolarHBondContact O-N 2.85Å; R46-C48 PolarHBondContact O-N 3.08Å
47	V	28.4	Very low	34.8	Very low	112 Å²	112	128.6 Å²	128.6	68%	0.679	73%	0.733	S	S	*	*			trans	-62.3	91.4	149.2	-179.9	0	0	0	0	105.2	V45 H49	V45-V47 PolarHBondContact O-N 3.23Å; V47-H49 VanDerWaalsContact C-N 3.33Å; V47-H49 PolarHBondContact O-N 3.47Å; V47-H49 PolarHBondContact O-ND1 3.09Å
48	C	24.2	Very low	37.3	Very low	97 Å²	97	125.6 Å²	125.6	66%	0.655	70%	0.704	S	S	*	*			trans	-59.2	101.3	172.1	-74.7	0	0	0	0	106.7	R46 S50	R46-C48 PolarHBondContact O-N 3.08Å; C48-S50 PolarHBondContact O-N 3.33Å
49	H	31.8	Very low	40.2	Very low	161 Å²	161	127.2 Å²	127.2	75%	0.745	70%	0.699	S	S	*	*			trans	-66.2	85.5	165.8	-69.8	59.1	0	0	0	106.4	V47 G51	V47-H49 VanDerWaalsContact C-N 3.33Å; V47-H49 PolarHBondContact O-N 3.47Å; V47-H49 PolarHBondContact O-ND1 3.09Å; H49-G51 PolarHBondContact O-N 3.16Å
50	S	27.1	Very low	43	Very low	125 Å²	125	116 Å²	116	87%	0.874	66%	0.659	S	S	*	*			trans	-79.1	43.3	168.2	66.5	0	0	0	0	110.4	C48	C48-S50 PolarHBondContact O-N 3.33Å
51	G	28.7	Very low	46	Very low	51 Å²	51	120.5 Å²	120.5	53%	0.526	66%	0.663	S	S	.	*	S	Bend	trans	-102.2	136.2	165	0	0	0	0	0	107.3	H49 N53	H49-G51 PolarHBondContact O-N 3.16Å; G51-N53 PolarHBondContact O-N 3.27Å; G51-N53 VanDerWaalsContact O-N 3.11Å
52	T	28.2	Very low	49.2	Very low	135 Å²	135	121.5 Å²	121.5	83%	0.828	65%	0.653	S	S	*	*			trans	-42.6	119.4	173.8	42	0	0	0	0	110.8	Q54	T52-Q54 PolarHBondContact O-N 3.21Å
53	N	35.3	Very low	52.4	Low	141 Å²	141	119 Å²	119	75%	0.754	63%	0.632	S	S	*	*			trans	-72.9	63.7	-173.3	-147.9	3.9	0	0	0	110.5	G51 K55	G51-N53 PolarHBondContact O-N 3.27Å; G51-N53 VanDerWaalsContact O-N 3.11Å; N53-K55 PolarHBondContact O-N 3.27Å
54	Q	42.8	Very low	55.8	Low	178 Å²	178	111.2 Å²	111.2	83%	0.832	60%	0.6	S	S	*	*			trans	-77.1	99.5	165.6	-83.5	-171.7	-10.6	0	0	106.8	T52 G56	T52-Q54 PolarHBondContact O-N 3.21Å; Q54-G56 PolarHBondContact O-N 2.75Å
55	K	58.8	Low	59	Low	150 Å²	150	114 Å²	114	65%	0.652	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-56.5	122.8	166.2	-71.9	-178	179.1	178.1	0	107.3	N53 S57	N53-K55 PolarHBondContact O-N 3.27Å; K55-S57 PolarHBondContact O-N 3.26Å
56	G	65.4	Low	62.4	Low	35 Å²	35	112.1 Å²	112.1	36%	0.361	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-53.4	137.1	173.1	0	0	0	0	0	109.4	Q54 D599 S600	Q54-G56 PolarHBondContact O-N 2.75Å; G56-D599 CarbonylContact O-C 3.6Å; G56-D599 VanDerWaalsContact O-CA 3.27Å; G56-D599 WeakPolarHBondContact O-CA 3.37Å; G56-D599 WeakPolarHBondContact O-CB 3.25Å; G56-S600 PolarHBondContact O-N 2.75Å
57	S	79.3	Confident	65.5	Low	82 Å²	82	102.7 Å²	102.7	57%	0.573	55%	0.545	S	S	*	.	B	Isolated β-bridge	trans	-92.3	131.3	171.6	-177	0	0	0	0	108.5	K55	K55-S57 PolarHBondContact O-N 3.26Å
58	V	82.7	Confident	68.7	Low	44 Å²	44	98.8 Å²	98.8	27%	0.267	52%	0.522	S	S	.	.			trans	-110.3	117.5	178.3	170.6	0	0	0	0	109.8	L73 D599 S600 F601	V58-L73 HydrophobicContact CG1-CD2 4.29Å; V58-D599 HydrophobicContact CB-CB 4.23Å; V58-D599 HydrophobicContact CG2-CB 3.32Å; V58-S600 PolarHBondContact N-O 2.99Å; V58-F601 HydrophobicContact CB-CD1 4.33Å; V58-F601 HydrophobicContact CB-CE1 3.98Å; V58-F601 HydrophobicContact CG1-CD1 4.36Å; V58-F601 HydrophobicContact CG1-CE1 3.67Å; V58-F601 HydrophobicContact CG1-CZ 4.38Å
59	Y	86.1	Confident	72.1	Confident	188 Å²	188	101.1 Å²	101.1	74%	0.737	52%	0.517	S	S	*	.			trans	-80.9	132.6	166.6	-179.6	-96.6	0	0	0	110.3	K61	Y59-K61 HydrophobicContact CE1-CG 4.03Å
60	T	90	Very high	75.1	Confident	19 Å²	19	94.5 Å²	94.5	12%	0.117	49%	0.487	C	S	.	.			trans	-141.3	146.6	173.1	-177.3	0	0	0	0	110.7	K62 R63 I67 L73 L87 F601	T60-K62 PolarHBondContact OG1-N 2.96Å; T60-R63 PolarHBondContact O-NH1 3.48Å; T60-I67 HydrophobicContact CG2-CD1 3.99Å; T60-L73 HydrophobicContact CG2-CD1 4.49Å; T60-L73 WeakPolarHBondContact OG1-CD1 3.42Å; T60-L87 HydrophobicContact CG2-CD2 4.34Å; T60-F601 HydrophobicContact CG2-CD1 4.05Å; T60-F601 HydrophobicContact CG2-CE1 3.91Å
61	K	92	Very high	78.4	Confident	180 Å²	180	89 Å²	89	78%	0.783	45%	0.448	S	S	*	.	S	Bend	trans	-87	-18.3	171.5	-64.7	-178.1	-179.2	177.3	0	112.6	Y59	Y59-K61 HydrophobicContact CE1-CG 4.03Å
62	K	93.9	Very high	81.5	Confident	101 Å²	101	89 Å²	89	44%	0.439	43%	0.434	S	S	.	.			trans	-71.5	146.4	-179.5	-63.2	-173.5	-177.9	-177.2	0	110.4	T60 D66 I67 N70 L73	T60-K62 PolarHBondContact OG1-N 2.96Å; K62-D66 HydrophobicContact CB-CB 4.46Å; K62-I67 HydrophobicContact CB-CD1 3.84Å; K62-I67 WeakPolarHBondContact O-CD1 3.4Å; K62-N70 PolarHBondContact NZ-ND2 3.41Å; K62-N70 VanDerWaalsContact NZ-ND2 3.19Å; K62-L73 HydrophobicContact CB-CD1 4.27Å; K62-L73 HydrophobicContact CD-CD1 4.1Å
63	R	95.4	Very high	84.7	Confident	111 Å²	111	83.5 Å²	83.5	42%	0.419	40%	0.4	S	S	.	.			trans	-144.1	167.9	178.4	-69.1	-64.7	-178	-76.5	-1.9	110	T60	T60-R63 PolarHBondContact O-NH1 3.48Å
64	G	96.5	Very high	87.7	Confident	17 Å²	17	77.5 Å²	77.5	18%	0.175	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	-141.9	175.8	0	0	0	0	0	112.9	D66 I67 L87 G88 I89	G64-D66 PolarHBondContact O-N 3.21Å; G64-D66 VanDerWaalsContact O-N 3.1Å; G64-I67 WeakPolarHBondContact O-CB 3.37Å; G64-I67 PolarHBondContact O-N 3.12Å; G64-I67 VanDerWaalsContact O-N 3.09Å; G64-L87 PolarHBondContact N-O 3.43Å; G64-G88 WeakPolarHBondContact CA-O 3.23Å; G64-I89 WeakPolarHBondContact O-CG2 3.5Å
65	Y	97	Very high	90.3	Very high	131 Å²	131	69.6 Å²	69.6	51%	0.514	33%	0.331	S	S	.	.	H	α-helix	trans	-54.5	-33.9	-173.8	-177.4	-111.6	0	0	0	113.6	I67 T68 R69	Y65-I67 PolarHBondContact O-N 3.32Å; Y65-T68 WeakPolarHBondContact O-CB 3.47Å; Y65-T68 PolarHBondContact O-N 3.31Å; Y65-T68 PolarHBondContact O-OG1 3.27Å; Y65-R69 HydrophobicContact CD1-CG 3.87Å; Y65-R69 HydrophobicContact CE1-CG 3.44Å; Y65-R69 VanDerWaalsContact CE1-CG 3.44Å; Y65-R69 HydrophobicContact CE2-CG 4.19Å; Y65-R69 HydrophobicContact CG-CG 4.42Å; Y65-R69 VanDerWaalsContact CZ-CD 3.46Å; Y65-R69 PolarHBondContact O-N 3.38Å; Y65-R69 VanDerWaalsContact OH-CD 3.31Å; Y65-R69 WeakPolarHBondContact OH-CD 3.45Å; Y65-R69 PolarHBondContact OH-NE 2.66Å
66	D	96.7	Very high	92.2	Very high	98 Å²	98	63.4 Å²	63.4	52%	0.524	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-30	-178.9	-67.6	-20.8	0	0	0	113.4	K62 G64 T68 R69 N70	K62-D66 HydrophobicContact CB-CB 4.46Å; G64-D66 PolarHBondContact O-N 3.21Å; G64-D66 VanDerWaalsContact O-N 3.1Å; D66-T68 VanDerWaalsContact C-N 3.29Å; D66-T68 PolarHBondContact O-N 2.75Å; D66-R69 PolarHBondContact O-N 3.48Å; D66-N70 PolarHBondContact O-N 3.11Å; D66-N70 VanDerWaalsContact O-N 3.14Å
67	I	96.3	Very high	93.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-42.1	173.1	-68.3	-64.5	0	0	0	110.5	T60 K62 G64 Y65 R69 L73 F79 L87 I89	T60-I67 HydrophobicContact CG2-CD1 3.99Å; K62-I67 HydrophobicContact CB-CD1 3.84Å; K62-I67 WeakPolarHBondContact O-CD1 3.4Å; G64-I67 WeakPolarHBondContact O-CB 3.37Å; G64-I67 PolarHBondContact O-N 3.12Å; G64-I67 VanDerWaalsContact O-N 3.09Å; Y65-I67 PolarHBondContact O-N 3.32Å; I67-R69 VanDerWaalsContact C-N 3.25Å; I67-R69 PolarHBondContact O-N 3.02Å; I67-L73 HydrophobicContact CD1-CB 4.42Å; I67-L73 HydrophobicContact CD1-CD1 3.73Å; I67-F79 HydrophobicContact CG2-CE1 4.22Å; I67-F79 HydrophobicContact CG2-CE2 4.14Å; I67-F79 HydrophobicContact CG2-CZ 3.52Å; I67-L87 HydrophobicContact CD1-CD2 4.26Å; I67-L87 HydrophobicContact CG1-CB 4.48Å; I67-L87 HydrophobicContact CG1-CD2 4.4Å; I67-L87 HydrophobicContact CG2-CD1 4.24Å; I67-I89 HydrophobicContact CB-CG2 4.18Å; I67-I89 HydrophobicContact CG2-CD1 4.27Å
68	T	95.3	Very high	94.6	Very high	30 Å²	30	60.2 Å²	60.2	18%	0.184	28%	0.28	C	S	.	.	H	α-helix	trans	-73.2	-19.2	-176.7	73.6	0	0	0	0	113	Y65 D66 N74 I89 I93	Y65-T68 WeakPolarHBondContact O-CB 3.47Å; Y65-T68 PolarHBondContact O-N 3.31Å; Y65-T68 PolarHBondContact O-OG1 3.27Å; D66-T68 VanDerWaalsContact C-N 3.29Å; D66-T68 PolarHBondContact O-N 2.75Å; T68-N74 PolarHBondContact O-ND2 3.13Å; T68-I89 HydrophobicContact CG2-CG2 4.14Å; T68-I93 HydrophobicContact CG2-CD1 4.44Å
69	R	95.2	Very high	95.4	Very high	146 Å²	146	58.1 Å²	58.1	55%	0.551	27%	0.267	S	S	*	.	H	α-helix	trans	-97.3	-17.4	-177.9	-61.3	-66.3	-84.7	169.1	-5.4	113.7	Y65 D66 I67 P71	Y65-R69 HydrophobicContact CD1-CG 3.87Å; Y65-R69 HydrophobicContact CE1-CG 3.44Å; Y65-R69 VanDerWaalsContact CE1-CG 3.44Å; Y65-R69 HydrophobicContact CE2-CG 4.19Å; Y65-R69 HydrophobicContact CG-CG 4.42Å; Y65-R69 VanDerWaalsContact CZ-CD 3.46Å; Y65-R69 PolarHBondContact O-N 3.38Å; Y65-R69 VanDerWaalsContact OH-CD 3.31Å; Y65-R69 WeakPolarHBondContact OH-CD 3.45Å; Y65-R69 PolarHBondContact OH-NE 2.66Å; D66-R69 PolarHBondContact O-N 3.48Å; I67-R69 VanDerWaalsContact C-N 3.25Å; I67-R69 PolarHBondContact O-N 3.02Å; R69-P71 WeakPolarHBondContact O-CD 3.41Å
70	N	95	Very high	95.9	Very high	22 Å²	22	52.1 Å²	52.1	12%	0.118	25%	0.25	C	C	.	.			trans	-87.7	109.3	176.3	-172.1	-16.1	0	0	0	110.2	K62 D66 H72 L73 N74	K62-N70 PolarHBondContact NZ-ND2 3.41Å; K62-N70 VanDerWaalsContact NZ-ND2 3.19Å; D66-N70 PolarHBondContact O-N 3.11Å; D66-N70 VanDerWaalsContact O-N 3.14Å; N70-H72 PolarHBondContact O-N 3.31Å; N70-H72 WeakPolarHBondContact OD1-CB 3.4Å; N70-H72 PolarHBondContact OD1-CD2 3.14Å; N70-H72 PolarHBondContact OD1-N 3.29Å; N70-H72 VanDerWaalsContact OD1-N 3.1Å; N70-L73 HydrophobicContact CB-CB 4.28Å; N70-L73 HydrophobicContact CB-CD1 4.19Å; N70-L73 HydrophobicContact CB-CG 4.24Å; N70-L73 WeakPolarHBondContact ND2-CD1 3.44Å; N70-L73 PolarHBondContact O-N 2.98Å; N70-N74 VanDerWaalsContact O-CB 3.28Å; N70-N74 WeakPolarHBondContact O-CB 3.5Å; N70-N74 PolarHBondContact O-N 3.26Å
71	P	95.6	Very high	96.3	Very high	10 Å²	10	55.1 Å²	55.1	7%	0.065	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24	-178	25	-33.5	0	0	0	114	R69 L73 Q128 E132	R69-P71 WeakPolarHBondContact O-CD 3.41Å; P71-L73 VanDerWaalsContact C-N 3.31Å; P71-Q128 WeakPolarHBondContact CB-O 3.37Å; P71-E132 WeakPolarHBondContact O-CB 3.35Å; P71-E132 PolarHBondContact O-N 3.39Å
72	H	94.4	Very high	96.5	Very high	50 Å²	50	51.4 Å²	51.4	23%	0.231	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-27.9	177	-49.7	-53.1	0	0	0	112.2	N70 E132	N70-H72 PolarHBondContact O-N 3.31Å; N70-H72 WeakPolarHBondContact OD1-CB 3.4Å; N70-H72 PolarHBondContact OD1-CD2 3.14Å; N70-H72 PolarHBondContact OD1-N 3.29Å; N70-H72 VanDerWaalsContact OD1-N 3.1Å; H72-E132 IonicContact CE1-OE1 2.77Å; H72-E132 PolarHBondContact CE1-OE1 3.43Å; H72-E132 VanDerWaalsContact CE1-OE1 3.23Å; H72-E132 IonicContact CE1-OE2 2.72Å; H72-E132 IonicContact CG-OE2 3.75Å; H72-E132 IonicContact ND1-OE1 3.8Å; H72-E132 PolarHBondContact ND1-OE1 2.91Å; H72-E132 VanDerWaalsContact ND1-OE1 3.15Å; H72-E132 IonicContact ND1-OE2 3.61Å; H72-E132 PolarHBondContact ND1-OE2 2.91Å
73	L	95.8	Very high	96.7	Very high	21 Å²	21	46.7 Å²	46.7	11%	0.11	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-28.2	-175.8	-56	179	0	0	0	112.7	V58 T60 K62 I67 N70 P71 K75 F79 F601	V58-L73 HydrophobicContact CG1-CD2 4.29Å; T60-L73 HydrophobicContact CG2-CD1 4.49Å; T60-L73 WeakPolarHBondContact OG1-CD1 3.42Å; K62-L73 HydrophobicContact CB-CD1 4.27Å; K62-L73 HydrophobicContact CD-CD1 4.1Å; I67-L73 HydrophobicContact CD1-CB 4.42Å; I67-L73 HydrophobicContact CD1-CD1 3.73Å; N70-L73 HydrophobicContact CB-CB 4.28Å; N70-L73 HydrophobicContact CB-CD1 4.19Å; N70-L73 HydrophobicContact CB-CG 4.24Å; N70-L73 WeakPolarHBondContact ND2-CD1 3.44Å; N70-L73 PolarHBondContact O-N 2.98Å; P71-L73 VanDerWaalsContact C-N 3.31Å; L73-K75 PolarHBondContact O-N 3.17Å; L73-F79 VanDerWaalsContact O-CZ 3.31Å; L73-F79 WeakPolarHBondContact O-CZ 3.39Å; L73-F601 HydrophobicContact CB-CZ 3.97Å; L73-F601 HydrophobicContact CD2-CE1 4Å; L73-F601 HydrophobicContact CD2-CZ 3.91Å; L73-F601 WeakPolarHBondContact O-CE2 3.43Å
74	N	97.7	Very high	96.8	Very high	15 Å²	15	41.6 Å²	41.6	8%	0.08	21%	0.211	C	C	.	.			trans	-70.8	121	-171.5	-177.1	29	0	0	0	112.1	T68 N70 G76 R130 N131	T68-N74 PolarHBondContact O-ND2 3.13Å; N70-N74 VanDerWaalsContact O-CB 3.28Å; N70-N74 WeakPolarHBondContact O-CB 3.5Å; N70-N74 PolarHBondContact O-N 3.26Å; N74-G76 PolarHBondContact OD1-N 2.73Å; N74-R130 WeakPolarHBondContact CB-O 3.24Å; N74-R130 PolarHBondContact ND2-O 2.93Å; N74-N131 PolarHBondContact O-ND2 3.02Å; N74-N131 PolarHBondContact O-OD1 3.27Å
75	K	98	Very high	96.8	Very high	12 Å²	12	46.9 Å²	46.9	5%	0.052	23%	0.232	C	C	.	.			trans	-98.5	-3.7	171.1	-51.7	-173.8	-176.3	175.8	0	113.6	L73 M77 A78 F79 E83 Q103 Y598 D599 F601	L73-K75 PolarHBondContact O-N 3.17Å; K75-M77 PolarHBondContact O-N 3.42Å; K75-A78 HydrophobicContact CB-CB 4.1Å; K75-A78 WeakPolarHBondContact O-CB 3.06Å; K75-A78 PolarHBondContact O-N 2.76Å; K75-A78 VanDerWaalsContact O-N 3.13Å; K75-F79 HydrophobicContact CB-CD1 3.99Å; K75-F79 HydrophobicContact CB-CD2 3.92Å; K75-F79 HydrophobicContact CB-CE1 4.01Å; K75-F79 HydrophobicContact CB-CE2 3.92Å; K75-F79 HydrophobicContact CB-CG 3.95Å; K75-F79 HydrophobicContact CB-CZ 3.97Å; K75-F79 HydrophobicContact CD-CD1 3.73Å; K75-F79 HydrophobicContact CD-CE1 3.87Å; K75-F79 HydrophobicContact CD-CG 4.37Å; K75-F79 HydrophobicContact CG-CD1 3.9Å; K75-F79 HydrophobicContact CG-CE1 3.64Å; K75-F79 HydrophobicContact CG-CE2 4.36Å; K75-F79 HydrophobicContact CG-CG 4.37Å; K75-F79 HydrophobicContact CG-CZ 3.88Å; K75-F79 VanDerWaalsContact N-CZ 3.28Å; K75-E83 VanDerWaalsContact NZ-CD 3.35Å; K75-E83 IonicContact NZ-OE1 2.83Å; K75-E83 PolarHBondContact NZ-OE1 3.02Å; K75-E83 IonicContact NZ-OE2 3.68Å; K75-E83 PolarHBondContact NZ-OE2 2.84Å; K75-Q103 PolarHBondContact O-NE2 2.89Å; K75-Y598 HydrophobicContact CB-CD1 4.07Å; K75-Y598 HydrophobicContact CB-CE1 3.85Å; K75-Y598 HydrophobicContact CB-CE2 4.43Å; K75-Y598 HydrophobicContact CB-CG 4.45Å; K75-Y598 HydrophobicContact CD-CD1 3.99Å; K75-Y598 HydrophobicContact CD-CD2 4.45Å; K75-Y598 HydrophobicContact CD-CG 3.9Å; K75-Y598 HydrophobicContact CG-CD1 3.6Å; K75-Y598 HydrophobicContact CG-CE1 3.85Å; K75-Y598 HydrophobicContact CG-CG 4.03Å; K75-Y598 PolarHBondContact O-OH 3.36Å; K75-D599 WeakPolarHBondContact CE-O 3.37Å; K75-D599 PolarHBondContact NZ-O 3.11Å; K75-F601 HydrophobicContact CD-CD2 4.44Å; K75-F601 HydrophobicContact CD-CE2 4.35Å; K75-F601 VanDerWaalsContact CE-CD2 3.46Å; K75-F601 VanDerWaalsContact CE-CE2 3.44Å; K75-F601 HydrophobicContact CG-CE2 4.31Å
76	G	97.6	Very high	96.7	Very high	20 Å²	20	43.8 Å²	43.8	21%	0.206	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	55.4	-132.2	-170.1	0	0	0	0	0	111.8	N74 A78 F79	N74-G76 PolarHBondContact OD1-N 2.73Å; G76-A78 PolarHBondContact O-N 2.97Å; G76-A78 VanDerWaalsContact O-N 3.09Å; G76-F79 WeakPolarHBondContact O-CD2 3.13Å; G76-F79 PolarHBondContact O-N 2.78Å
77	M	97.9	Very high	96.7	Very high	31 Å²	31	39.3 Å²	39.3	15%	0.153	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-71.2	1.2	179	-72.9	170.4	-67.9	0	0	115	K75 R84 I93 P94 F97 L98	K75-M77 PolarHBondContact O-N 3.42Å; M77-R84 PolarHBondContact O-NH2 3.42Å; M77-I93 HydrophobicContact CG-CG2 3.71Å; M77-P94 HydrophobicContact SD-CB 4.24Å; M77-P94 HydrophobicContact SD-CG 4.36Å; M77-F97 WeakPolarHBondContact O-CA 3.37Å; M77-L98 HydrophobicContact CB-CB 4.36Å; M77-L98 HydrophobicContact CB-CD1 4.08Å; M77-L98 HydrophobicContact CB-CG 4.03Å; M77-L98 HydrophobicContact CE-CD1 3.8Å; M77-L98 PolarHBondContact O-N 2.77Å; M77-L98 HydrophobicContact SD-CD1 4.19Å
78	A	98.3	Very high	96.7	Very high	18 Å²	18	41.6 Å²	41.6	15%	0.149	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-85.5	-7.7	174.8	0	0	0	0	0	113.9	K75 G76 T80 L98 Y598	K75-A78 HydrophobicContact CB-CB 4.1Å; K75-A78 WeakPolarHBondContact O-CB 3.06Å; K75-A78 PolarHBondContact O-N 2.76Å; K75-A78 VanDerWaalsContact O-N 3.13Å; G76-A78 PolarHBondContact O-N 2.97Å; G76-A78 VanDerWaalsContact O-N 3.09Å; A78-T80 PolarHBondContact O-N 3.07Å; A78-L98 VanDerWaalsContact CA-O 3.25Å; A78-L98 WeakPolarHBondContact CA-O 3.45Å; A78-L98 VanDerWaalsContact CB-O 3.31Å; A78-L98 WeakPolarHBondContact CB-O 3.27Å; A78-Y598 HydrophobicContact CB-CD2 3.9Å; A78-Y598 HydrophobicContact CB-CE2 3.4Å
79	F	98.2	Very high	96.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-60.4	129	167.3	-73.2	-67	0	0	0	110.6	I67 L73 K75 G76 E83 R84 L87 I89 I93 F97 F601	I67-F79 HydrophobicContact CG2-CE1 4.22Å; I67-F79 HydrophobicContact CG2-CE2 4.14Å; I67-F79 HydrophobicContact CG2-CZ 3.52Å; L73-F79 VanDerWaalsContact O-CZ 3.31Å; L73-F79 WeakPolarHBondContact O-CZ 3.39Å; K75-F79 HydrophobicContact CB-CD1 3.99Å; K75-F79 HydrophobicContact CB-CD2 3.92Å; K75-F79 HydrophobicContact CB-CE1 4.01Å; K75-F79 HydrophobicContact CB-CE2 3.92Å; K75-F79 HydrophobicContact CB-CG 3.95Å; K75-F79 HydrophobicContact CB-CZ 3.97Å; K75-F79 HydrophobicContact CD-CD1 3.73Å; K75-F79 HydrophobicContact CD-CE1 3.87Å; K75-F79 HydrophobicContact CD-CG 4.37Å; K75-F79 HydrophobicContact CG-CD1 3.9Å; K75-F79 HydrophobicContact CG-CE1 3.64Å; K75-F79 HydrophobicContact CG-CE2 4.36Å; K75-F79 HydrophobicContact CG-CG 4.37Å; K75-F79 HydrophobicContact CG-CZ 3.88Å; K75-F79 VanDerWaalsContact N-CZ 3.28Å; G76-F79 WeakPolarHBondContact O-CD2 3.13Å; G76-F79 PolarHBondContact O-N 2.78Å; F79-E83 WeakPolarHBondContact CA-OE2 3.48Å; F79-E83 HydrophobicContact CD1-CB 4.21Å; F79-R84 HydrophobicContact CB-CG 3.73Å; F79-R84 PolarHBondContact O-NE 3.49Å; F79-R84 PolarHBondContact O-NH2 2.98Å; F79-L87 HydrophobicContact CD1-CD1 4.1Å; F79-L87 HydrophobicContact CE1-CD1 3.73Å; F79-L87 HydrophobicContact CZ-CD1 4.49Å; F79-I89 HydrophobicContact CB-CD1 4.4Å; F79-I89 HydrophobicContact CD1-CD1 4.19Å; F79-I89 HydrophobicContact CD2-CD1 3.63Å; F79-I89 HydrophobicContact CE1-CD1 4.32Å; F79-I89 HydrophobicContact CE2-CD1 3.81Å; F79-I89 HydrophobicContact CG-CD1 3.85Å; F79-I89 HydrophobicContact CZ-CD1 4.16Å; F79-I93 HydrophobicContact CD2-CD1 3.71Å; F79-I93 HydrophobicContact CE2-CD1 4.29Å; F79-F97 VanDerWaalsContact O-CD1 3.29Å; F79-F97 WeakPolarHBondContact O-CD1 3.01Å; F79-F601 HydrophobicContact CD1-CD2 4.21Å; F79-F601 AromaticContact CE1-CD2 3.58Å; F79-F601 HydrophobicContact CE1-CD2 3.58Å; F79-F601 AromaticContact CE1-CE2 3.59Å; F79-F601 HydrophobicContact CE1-CE2 3.59Å; F79-F601 HydrophobicContact CZ-CE2 4.29Å
80	T	97.8	Very high	97	Very high	62 Å²	62	38.9 Å²	38.9	38%	0.38	21%	0.214	S	C	.	.			trans	-67.9	166.2	173.9	74.6	0	0	0	0	111	A78 E82 E83 R84	A78-T80 PolarHBondContact O-N 3.07Å; T80-E82 VanDerWaalsContact C-N 3.31Å; T80-E82 PolarHBondContact O-N 2.94Å; T80-E83 PolarHBondContact N-OE2 2.86Å; T80-E83 PolarHBondContact O-N 2.91Å; T80-E83 VanDerWaalsContact OG1-CG 3.3Å; T80-E83 WeakPolarHBondContact OG1-CG 3.31Å; T80-E83 PolarHBondContact OG1-N 3.03Å; T80-E83 VanDerWaalsContact OG1-N 3.11Å; T80-R84 VanDerWaalsContact O-CG 3.24Å; T80-R84 WeakPolarHBondContact O-CG 3.48Å; T80-R84 PolarHBondContact O-N 2.74Å
81	L	98	Very high	97.1	Very high	83 Å²	83	41 Å²	41	44%	0.435	24%	0.241	S	C	.	.	H	α-helix	trans	-60.9	-43.4	175.8	179.2	59	0	0	0	111.5	R84 M85 H90 F97	L81-R84 PolarHBondContact O-N 3.02Å; L81-M85 HydrophobicContact CD1-CG 4.36Å; L81-M85 HydrophobicContact CD1-SD 4.34Å; L81-M85 HydrophobicContact CG-SD 4.22Å; L81-M85 WeakPolarHBondContact O-CG 3.27Å; L81-M85 PolarHBondContact O-N 3.46Å; L81-H90 WeakPolarHBondContact CD1-ND1 3.28Å; L81-F97 HydrophobicContact CB-CE1 3.93Å; L81-F97 HydrophobicContact CB-CZ 3.94Å; L81-F97 HydrophobicContact CD1-CZ 4.2Å
82	E	96.8	Very high	97.2	Very high	101 Å²	101	45.2 Å²	45.2	47%	0.472	26%	0.262	S	S	.	.	H	α-helix	trans	-58.4	-50.2	177.2	-174.9	-174.1	171	0	0	111.5	T80 R84 M85 Q86 T602	T80-E82 VanDerWaalsContact C-N 3.31Å; T80-E82 PolarHBondContact O-N 2.94Å; E82-R84 VanDerWaalsContact C-N 3.28Å; E82-R84 PolarHBondContact O-N 3.33Å; E82-M85 PolarHBondContact O-N 3.35Å; E82-M85 VanDerWaalsContact O-N 3.17Å; E82-Q86 HydrophobicContact CG-CG 4.44Å; E82-Q86 WeakPolarHBondContact O-CB 3.47Å; E82-Q86 WeakPolarHBondContact O-CG 3.2Å; E82-Q86 PolarHBondContact O-N 3.47Å; E82-Q86 PolarHBondContact OE1-NE2 2.86Å; E82-T602 HydrophobicContact CG-CG2 4.46Å
83	E	96.9	Very high	97.3	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-41	177	-69.8	178.2	140.1	0	0	111.2	K75 F79 T80 M85 Q86 L87 F601 T602	K75-E83 VanDerWaalsContact NZ-CD 3.35Å; K75-E83 IonicContact NZ-OE1 2.83Å; K75-E83 PolarHBondContact NZ-OE1 3.02Å; K75-E83 IonicContact NZ-OE2 3.68Å; K75-E83 PolarHBondContact NZ-OE2 2.84Å; F79-E83 WeakPolarHBondContact CA-OE2 3.48Å; F79-E83 HydrophobicContact CD1-CB 4.21Å; T80-E83 PolarHBondContact N-OE2 2.86Å; T80-E83 PolarHBondContact O-N 2.91Å; T80-E83 VanDerWaalsContact OG1-CG 3.3Å; T80-E83 WeakPolarHBondContact OG1-CG 3.31Å; T80-E83 PolarHBondContact OG1-N 3.03Å; T80-E83 VanDerWaalsContact OG1-N 3.11Å; E83-M85 VanDerWaalsContact C-N 3.32Å; E83-M85 PolarHBondContact O-N 3.38Å; E83-Q86 PolarHBondContact O-N 3.31Å; E83-L87 HydrophobicContact CB-CD1 4.41Å; E83-L87 WeakPolarHBondContact O-CB 3.45Å; E83-L87 WeakPolarHBondContact O-CG 3.48Å; E83-L87 PolarHBondContact O-N 3.1Å; E83-F601 HydrophobicContact CG-CB 4.09Å; E83-F601 PolarHBondContact OE1-N 3.41Å; E83-T602 HydrophobicContact CG-CG2 4.08Å
84	R	97.9	Very high	97.4	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.015	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-39.4	178.4	-70.9	178.8	-158.9	-160.7	5.9	112.3	M77 F79 T80 L81 E82 G88 I89 H90 P94 C96 F97	M77-R84 PolarHBondContact O-NH2 3.42Å; F79-R84 HydrophobicContact CB-CG 3.73Å; F79-R84 PolarHBondContact O-NE 3.49Å; F79-R84 PolarHBondContact O-NH2 2.98Å; T80-R84 VanDerWaalsContact O-CG 3.24Å; T80-R84 WeakPolarHBondContact O-CG 3.48Å; T80-R84 PolarHBondContact O-N 2.74Å; L81-R84 PolarHBondContact O-N 3.02Å; E82-R84 VanDerWaalsContact C-N 3.28Å; E82-R84 PolarHBondContact O-N 3.33Å; R84-G88 PolarHBondContact O-N 3.33Å; R84-I89 VanDerWaalsContact CA-CG1 3.5Å; R84-I89 HydrophobicContact CB-CG1 3.93Å; R84-I89 HydrophobicContact CG-CD1 4.13Å; R84-I89 HydrophobicContact CG-CG1 3.96Å; R84-I89 PolarHBondContact O-N 3.32Å; R84-H90 HydrophobicContact CB-CB 4.15Å; R84-H90 PolarHBondContact O-N 2.91Å; R84-P94 PolarHBondContact NH1-O 2.95Å; R84-C96 PolarHBondContact NH2-O 3.21Å; R84-F97 VanDerWaalsContact CZ-CE1 3.42Å
85	M	96.8	Very high	97.3	Very high	128 Å²	128	52 Å²	52	63%	0.631	31%	0.312	S	S	*	.	H	α-helix	trans	-70.1	-50.2	177.4	-69.1	176.3	69.9	0	0	111	L81 E82 E83 L87 G88 H90	L81-M85 HydrophobicContact CD1-CG 4.36Å; L81-M85 HydrophobicContact CD1-SD 4.34Å; L81-M85 HydrophobicContact CG-SD 4.22Å; L81-M85 WeakPolarHBondContact O-CG 3.27Å; L81-M85 PolarHBondContact O-N 3.46Å; E82-M85 PolarHBondContact O-N 3.35Å; E82-M85 VanDerWaalsContact O-N 3.17Å; E83-M85 VanDerWaalsContact C-N 3.32Å; E83-M85 PolarHBondContact O-N 3.38Å; M85-L87 VanDerWaalsContact C-N 3.33Å; M85-L87 PolarHBondContact O-N 2.96Å; M85-G88 PolarHBondContact O-N 3.41Å; M85-G88 VanDerWaalsContact O-N 3.1Å; M85-H90 HydrophobicContact CG-CB 4.49Å
86	Q	95.1	Very high	97.3	Very high	66 Å²	66	54.2 Å²	54.2	31%	0.308	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-38.2	-179.3	-73.8	171.3	-14.6	0	0	112.9	E82 E83 G88	E82-Q86 HydrophobicContact CG-CG 4.44Å; E82-Q86 WeakPolarHBondContact O-CB 3.47Å; E82-Q86 WeakPolarHBondContact O-CG 3.2Å; E82-Q86 PolarHBondContact O-N 3.47Å; E82-Q86 PolarHBondContact OE1-NE2 2.86Å; E83-Q86 PolarHBondContact O-N 3.31Å; Q86-G88 VanDerWaalsContact C-N 3.31Å
87	L	96.6	Very high	97.3	Very high	4 Å²	4	58 Å²	58	2%	0.021	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.1	178.4	-64.1	170.7	0	0	0	113	T60 G64 I67 F79 E83 M85 I89 F601	T60-L87 HydrophobicContact CG2-CD2 4.34Å; G64-L87 PolarHBondContact N-O 3.43Å; I67-L87 HydrophobicContact CD1-CD2 4.26Å; I67-L87 HydrophobicContact CG1-CB 4.48Å; I67-L87 HydrophobicContact CG1-CD2 4.4Å; I67-L87 HydrophobicContact CG2-CD1 4.24Å; F79-L87 HydrophobicContact CD1-CD1 4.1Å; F79-L87 HydrophobicContact CE1-CD1 3.73Å; F79-L87 HydrophobicContact CZ-CD1 4.49Å; E83-L87 HydrophobicContact CB-CD1 4.41Å; E83-L87 WeakPolarHBondContact O-CB 3.45Å; E83-L87 WeakPolarHBondContact O-CG 3.48Å; E83-L87 PolarHBondContact O-N 3.1Å; M85-L87 VanDerWaalsContact C-N 3.33Å; M85-L87 PolarHBondContact O-N 2.96Å; L87-I89 HydrophobicContact CB-CD1 4.28Å; L87-I89 HydrophobicContact CB-CG1 4.16Å; L87-I89 HydrophobicContact CB-CG2 4.43Å; L87-I89 HydrophobicContact CD1-CD1 4.27Å; L87-F601 HydrophobicContact CD1-CB 3.81Å; L87-F601 HydrophobicContact CD1-CD1 4.45Å; L87-F601 HydrophobicContact CD1-CD2 3.96Å; L87-F601 HydrophobicContact CD1-CG 3.83Å; L87-F601 HydrophobicContact CD2-CB 4.27Å; L87-F601 HydrophobicContact CD2-CD1 4.36Å; L87-F601 HydrophobicContact CD2-CG 4.4Å; L87-F601 HydrophobicContact CG-CB 4.27Å
88	G	97.2	Very high	97.3	Very high	49 Å²	49	58 Å²	58	51%	0.505	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	32.1	-178.4	0	0	0	0	0	114.1	G64 R84 M85 Q86	G64-G88 WeakPolarHBondContact CA-O 3.23Å; R84-G88 PolarHBondContact O-N 3.33Å; M85-G88 PolarHBondContact O-N 3.41Å; M85-G88 VanDerWaalsContact O-N 3.1Å; Q86-G88 VanDerWaalsContact C-N 3.31Å
89	I	98.1	Very high	97.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	35%	0.353	C	S	.	.			trans	-114.3	1.6	-178.2	61.4	176	0	0	0	113.4	G64 I67 T68 F79 R84 L87 G91 L92 I93	G64-I89 WeakPolarHBondContact O-CG2 3.5Å; I67-I89 HydrophobicContact CB-CG2 4.18Å; I67-I89 HydrophobicContact CG2-CD1 4.27Å; T68-I89 HydrophobicContact CG2-CG2 4.14Å; F79-I89 HydrophobicContact CB-CD1 4.4Å; F79-I89 HydrophobicContact CD1-CD1 4.19Å; F79-I89 HydrophobicContact CD2-CD1 3.63Å; F79-I89 HydrophobicContact CE1-CD1 4.32Å; F79-I89 HydrophobicContact CE2-CD1 3.81Å; F79-I89 HydrophobicContact CG-CD1 3.85Å; F79-I89 HydrophobicContact CZ-CD1 4.16Å; R84-I89 VanDerWaalsContact CA-CG1 3.5Å; R84-I89 HydrophobicContact CB-CG1 3.93Å; R84-I89 HydrophobicContact CG-CD1 4.13Å; R84-I89 HydrophobicContact CG-CG1 3.96Å; R84-I89 PolarHBondContact O-N 3.32Å; L87-I89 HydrophobicContact CB-CD1 4.28Å; L87-I89 HydrophobicContact CB-CG1 4.16Å; L87-I89 HydrophobicContact CB-CG2 4.43Å; L87-I89 HydrophobicContact CD1-CD1 4.27Å; I89-G91 PolarHBondContact O-N 3.29Å; I89-L92 HydrophobicContact CB-CD1 4.32Å; I89-L92 HydrophobicContact CG2-CD1 4.3Å; I89-L92 WeakPolarHBondContact O-CB 3.32Å; I89-L92 PolarHBondContact O-N 2.92Å; I89-I93 HydrophobicContact CD1-CD1 3.99Å
90	H	97.9	Very high	97.3	Very high	119 Å²	119	61.1 Å²	61.1	55%	0.551	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	132	172.8	-171.4	76.9	0	0	0	110.1	L81 R84 M85	L81-H90 WeakPolarHBondContact CD1-ND1 3.28Å; R84-H90 HydrophobicContact CB-CB 4.15Å; R84-H90 PolarHBondContact O-N 2.91Å; M85-H90 HydrophobicContact CG-CB 4.49Å
91	G	96.9	Very high	97.3	Very high	66 Å²	66	62 Å²	62	68%	0.68	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	-20.2	-172.2	0	0	0	0	0	115.3	I89	I89-G91 PolarHBondContact O-N 3.29Å
92	L	97.4	Very high	97.3	Very high	98 Å²	98	60.8 Å²	60.8	51%	0.513	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-15.5	177.3	-57.5	-177.2	0	0	0	113.7	I89	I89-L92 HydrophobicContact CB-CD1 4.32Å; I89-L92 HydrophobicContact CG2-CD1 4.3Å; I89-L92 WeakPolarHBondContact O-CB 3.32Å; I89-L92 PolarHBondContact O-N 2.92Å
93	I	96.2	Very high	97.4	Very high	22 Å²	22	56.5 Å²	56.5	11%	0.113	34%	0.336	C	S	.	.	S	Bend	trans	-124.1	140.5	-175.2	-57	177	0	0	0	107.9	T68 M77 F79 I89	T68-I93 HydrophobicContact CG2-CD1 4.44Å; M77-I93 HydrophobicContact CG-CG2 3.71Å; F79-I93 HydrophobicContact CD2-CD1 3.71Å; F79-I93 HydrophobicContact CE2-CD1 4.29Å; I89-I93 HydrophobicContact CD1-CD1 3.99Å
94	P	97.7	Very high	97.4	Very high	79 Å²	79	57.1 Å²	57.1	51%	0.513	34%	0.34	S	S	.	.			trans	-48.6	148.6	178.2	-30	35.8	0	0	0	113.3	M77 R84 C96	M77-P94 HydrophobicContact SD-CB 4.24Å; M77-P94 HydrophobicContact SD-CG 4.36Å; R84-P94 PolarHBondContact NH1-O 2.95Å; P94-C96 PolarHBondContact O-N 3.46Å
95	P	96.9	Very high	97.4	Very high	129 Å²	129	61.4 Å²	61.4	84%	0.838	36%	0.363	S	S	*	.	S	Bend	trans	-76.8	49.4	-175	34.2	-37.9	0	0	0	112.4
96	C	97	Very high	97.5	Very high	57 Å²	57	62 Å²	62	39%	0.385	36%	0.358	S	S	.	.			trans	-134	140.5	177.7	-174.2	0	0	0	0	109.1	R84 P94 L98	R84-C96 PolarHBondContact NH2-O 3.21Å; P94-C96 PolarHBondContact O-N 3.46Å; C96-L98 VanDerWaalsContact SG-CD2 3.52Å
97	F	98	Very high	97.6	Very high	101 Å²	101	59.4 Å²	59.4	44%	0.443	35%	0.346	S	S	.	.			trans	-119.3	117.1	-176.5	-55.2	-88.3	0	0	0	108.5	M77 F79 L81 R84	M77-F97 WeakPolarHBondContact O-CA 3.37Å; F79-F97 VanDerWaalsContact O-CD1 3.29Å; F79-F97 WeakPolarHBondContact O-CD1 3.01Å; L81-F97 HydrophobicContact CB-CE1 3.93Å; L81-F97 HydrophobicContact CB-CZ 3.94Å; L81-F97 HydrophobicContact CD1-CZ 4.2Å; R84-F97 VanDerWaalsContact CZ-CE1 3.42Å
98	L	97.9	Very high	97.6	Very high	29 Å²	29	61 Å²	61	15%	0.152	35%	0.354	C	S	.	.			trans	-116.2	141	-172.2	-59.4	-176.8	0	0	0	110.8	M77 A78 C96 V102 Q103	M77-L98 HydrophobicContact CB-CB 4.36Å; M77-L98 HydrophobicContact CB-CD1 4.08Å; M77-L98 HydrophobicContact CB-CG 4.03Å; M77-L98 HydrophobicContact CE-CD1 3.8Å; M77-L98 PolarHBondContact O-N 2.77Å; M77-L98 HydrophobicContact SD-CD1 4.19Å; A78-L98 VanDerWaalsContact CA-O 3.25Å; A78-L98 WeakPolarHBondContact CA-O 3.45Å; A78-L98 VanDerWaalsContact CB-O 3.31Å; A78-L98 WeakPolarHBondContact CB-O 3.27Å; C96-L98 VanDerWaalsContact SG-CD2 3.52Å; L98-V102 HydrophobicContact CB-CB 4.37Å; L98-V102 HydrophobicContact CB-CG1 4.46Å; L98-V102 HydrophobicContact CD1-CG1 4.22Å; L98-V102 HydrophobicContact CD2-CG1 3.92Å; L98-V102 HydrophobicContact CG-CG1 4.43Å; L98-Q103 HydrophobicContact CB-CG 4.1Å; L98-Q103 HydrophobicContact CD1-CG 4.44Å
99	S	98	Very high	97.6	Very high	65 Å²	65	65 Å²	65	46%	0.455	36%	0.358	S	S	.	.			trans	-67.1	159	163.7	68.6	0	0	0	0	110.4	D101 V102 Q103	S99-D101 PolarHBondContact O-N 3.2Å; S99-V102 PolarHBondContact O-N 3.33Å; S99-V102 VanDerWaalsContact O-N 3.16Å; S99-V102 WeakPolarHBondContact OG-CG2 3.39Å; S99-V102 PolarHBondContact OG-N 3.24Å; S99-Q103 PolarHBondContact O-N 2.69Å; S99-Q103 VanDerWaalsContact O-N 3.15Å
100	Q	97.9	Very high	97.5	Very high	20 Å²	20	66.7 Å²	66.7	9%	0.093	37%	0.369	C	S	.	.	H	α-helix	trans	-59.8	-35.5	176.3	-161.3	177.5	21.8	0	0	111.6	V102 Q103 V104 L134 R137 P596 Y598	Q100-V102 PolarHBondContact O-N 2.68Å; Q100-Q103 CarbonylContact O-C 3.56Å; Q100-Q103 WeakPolarHBondContact O-CA 3.43Å; Q100-Q103 WeakPolarHBondContact O-CB 3.33Å; Q100-Q103 PolarHBondContact O-N 2.86Å; Q100-Q103 VanDerWaalsContact O-N 3.09Å; Q100-V104 WeakPolarHBondContact O-CG2 3.32Å; Q100-V104 PolarHBondContact O-N 3.03Å; Q100-L134 HydrophobicContact CG-CD1 4.13Å; Q100-R137 HydrophobicContact CG-CB 4.48Å; Q100-R137 HydrophobicContact CG-CG 4.02Å; Q100-P596 PolarHBondContact NE2-O 2.94Å; Q100-Y598 HydrophobicContact CB-CD2 4.08Å; Q100-Y598 HydrophobicContact CB-CE2 3.74Å; Q100-Y598 HydrophobicContact CG-CD2 4.08Å; Q100-Y598 HydrophobicContact CG-CE2 3.51Å
101	D	98	Very high	97.5	Very high	79 Å²	79	61.2 Å²	61.2	42%	0.422	34%	0.344	S	S	.	.	H	α-helix	trans	-62.4	-39.2	176	-67.3	-24.9	0	0	0	112.7	S99 Q103 V104 L105 R137	S99-D101 PolarHBondContact O-N 3.2Å; D101-Q103 VanDerWaalsContact C-N 3.29Å; D101-Q103 PolarHBondContact O-N 3.4Å; D101-V104 WeakPolarHBondContact O-CB 3.46Å; D101-V104 PolarHBondContact O-N 3.37Å; D101-L105 PolarHBondContact O-N 3.43Å; D101-R137 IonicContact OD1-CZ 3.58Å; D101-R137 IonicContact OD1-NE 2.73Å; D101-R137 IonicContact OD1-NH2 3.48Å; D101-R137 PolarHBondContact OD1-NH2 3.36Å
102	V	98.2	Very high	97.4	Very high	59 Å²	59	64.4 Å²	64.4	36%	0.358	34%	0.341	S	S	.	.	H	α-helix	trans	-68.7	-32.7	174.7	178.9	0	0	0	0	110.9	L98 S99 Q100 L105 R106	L98-V102 HydrophobicContact CB-CB 4.37Å; L98-V102 HydrophobicContact CB-CG1 4.46Å; L98-V102 HydrophobicContact CD1-CG1 4.22Å; L98-V102 HydrophobicContact CD2-CG1 3.92Å; L98-V102 HydrophobicContact CG-CG1 4.43Å; S99-V102 PolarHBondContact O-N 3.33Å; S99-V102 VanDerWaalsContact O-N 3.16Å; S99-V102 WeakPolarHBondContact OG-CG2 3.39Å; S99-V102 PolarHBondContact OG-N 3.24Å; Q100-V102 PolarHBondContact O-N 2.68Å; V102-L105 PolarHBondContact O-N 2.92Å; V102-R106 WeakPolarHBondContact O-CG 3.16Å; V102-R106 PolarHBondContact O-N 2.87Å; V102-R106 VanDerWaalsContact O-N 3.11Å
103	Q	98.4	Very high	97.3	Very high	11 Å²	11	64.4 Å²	64.4	5%	0.051	35%	0.346	C	S	.	.	H	α-helix	trans	-67.3	-40.7	172.8	-62.8	179.6	-43.1	0	0	111.9	K75 L98 S99 Q100 D101 R106 V107 L134 Y598	K75-Q103 PolarHBondContact O-NE2 2.89Å; L98-Q103 HydrophobicContact CB-CG 4.1Å; L98-Q103 HydrophobicContact CD1-CG 4.44Å; S99-Q103 PolarHBondContact O-N 2.69Å; S99-Q103 VanDerWaalsContact O-N 3.15Å; Q100-Q103 CarbonylContact O-C 3.56Å; Q100-Q103 WeakPolarHBondContact O-CA 3.43Å; Q100-Q103 WeakPolarHBondContact O-CB 3.33Å; Q100-Q103 PolarHBondContact O-N 2.86Å; Q100-Q103 VanDerWaalsContact O-N 3.09Å; D101-Q103 VanDerWaalsContact C-N 3.29Å; D101-Q103 PolarHBondContact O-N 3.4Å; Q103-R106 WeakPolarHBondContact O-CB 3.29Å; Q103-R106 PolarHBondContact O-N 3.41Å; Q103-V107 WeakPolarHBondContact O-CG2 3.28Å; Q103-V107 PolarHBondContact O-N 2.92Å; Q103-L134 HydrophobicContact CB-CD1 3.75Å; Q103-L134 HydrophobicContact CB-CD2 3.78Å; Q103-L134 HydrophobicContact CB-CG 4.45Å; Q103-Y598 VanDerWaalsContact OE1-CE2 3.3Å; Q103-Y598 PolarHBondContact OE1-OH 3.16Å
104	V	98.3	Very high	97.2	Very high	15 Å²	15	67.4 Å²	67.4	9%	0.091	36%	0.355	C	S	.	.	H	α-helix	trans	-57.8	-49.4	172.2	171.4	0	0	0	0	109.8	Q100 D101 R106 V107 M108 L134 R137 V138	Q100-V104 WeakPolarHBondContact O-CG2 3.32Å; Q100-V104 PolarHBondContact O-N 3.03Å; D101-V104 WeakPolarHBondContact O-CB 3.46Å; D101-V104 PolarHBondContact O-N 3.37Å; V104-R106 PolarHBondContact O-N 3.49Å; V104-V107 CarbonylContact O-C 3.59Å; V104-V107 WeakPolarHBondContact O-CA 3.43Å; V104-V107 WeakPolarHBondContact O-CB 3.48Å; V104-V107 PolarHBondContact O-N 2.96Å; V104-M108 HydrophobicContact CG1-CG 4.17Å; V104-M108 WeakPolarHBondContact O-CG 3.3Å; V104-M108 PolarHBondContact O-N 2.76Å; V104-L134 HydrophobicContact CG2-CD1 3.81Å; V104-R137 HydrophobicContact CG2-CB 4.48Å; V104-R137 HydrophobicContact CG2-CG 3.67Å; V104-V138 HydrophobicContact CB-CG2 4.5Å; V104-V138 HydrophobicContact CG1-CG2 4.32Å; V104-V138 HydrophobicContact CG2-CG2 4.08Å
105	L	97.6	Very high	97	Very high	94 Å²	94	70.1 Å²	70.1	49%	0.492	37%	0.371	S	S	.	.	H	α-helix	trans	-55.1	-39.5	177.2	177.7	62.8	0	0	0	112.6	D101 V102 M108 K109	D101-L105 PolarHBondContact O-N 3.43Å; V102-L105 PolarHBondContact O-N 2.92Å; L105-M108 PolarHBondContact O-N 2.66Å; L105-K109 HydrophobicContact CD1-CG 4.45Å; L105-K109 WeakPolarHBondContact O-CG 3.43Å; L105-K109 PolarHBondContact O-N 2.82Å
106	R	97.4	Very high	96.8	Very high	140 Å²	140	67 Å²	67	53%	0.528	35%	0.347	S	S	.	.	H	α-helix	trans	-66.5	-39.7	176	-72.9	177.7	63.2	150.7	0.5	112.5	V102 Q103 V104 S110	V102-R106 WeakPolarHBondContact O-CG 3.16Å; V102-R106 PolarHBondContact O-N 2.87Å; V102-R106 VanDerWaalsContact O-N 3.11Å; Q103-R106 WeakPolarHBondContact O-CB 3.29Å; Q103-R106 PolarHBondContact O-N 3.41Å; V104-R106 PolarHBondContact O-N 3.49Å; R106-S110 PolarHBondContact O-N 2.92Å
107	V	97.8	Very high	96.6	Very high	11 Å²	11	67 Å²	67	7%	0.067	35%	0.347	C	S	.	.	H	α-helix	trans	-63.9	-45.7	174.3	175.4	0	0	0	0	109.6	Q103 V104 S110 Y111 L123 L127 L134 V138	Q103-V107 WeakPolarHBondContact O-CG2 3.28Å; Q103-V107 PolarHBondContact O-N 2.92Å; V104-V107 CarbonylContact O-C 3.59Å; V104-V107 WeakPolarHBondContact O-CA 3.43Å; V104-V107 WeakPolarHBondContact O-CB 3.48Å; V104-V107 PolarHBondContact O-N 2.96Å; V107-S110 CarbonylContact O-C 3.6Å; V107-S110 WeakPolarHBondContact O-CA 3.31Å; V107-S110 WeakPolarHBondContact O-CB 3.31Å; V107-S110 PolarHBondContact O-N 3.36Å; V107-S110 VanDerWaalsContact O-N 3.08Å; V107-Y111 WeakPolarHBondContact O-CB 3.42Å; V107-Y111 PolarHBondContact O-N 3.18Å; V107-L123 HydrophobicContact CG1-CD2 4.24Å; V107-L127 HydrophobicContact CG1-CD2 3.91Å; V107-L127 HydrophobicContact CG2-CD1 4.23Å; V107-L127 HydrophobicContact CG2-CD2 3.97Å; V107-L134 HydrophobicContact CG2-CD2 4.23Å; V107-V138 HydrophobicContact CB-CG2 4.13Å; V107-V138 HydrophobicContact CG1-CG1 4.28Å; V107-V138 HydrophobicContact CG1-CG2 4Å; V107-V138 HydrophobicContact CG2-CG2 4.39Å
108	M	97.5	Very high	96.3	Very high	39 Å²	39	62.8 Å²	62.8	19%	0.192	33%	0.328	C	S	.	.	H	α-helix	trans	-59.7	-49.3	178.9	-67.7	-48.4	-65.5	0	0	112.7	V104 L105 S110 Y111 E112 F146	V104-M108 HydrophobicContact CG1-CG 4.17Å; V104-M108 WeakPolarHBondContact O-CG 3.3Å; V104-M108 PolarHBondContact O-N 2.76Å; L105-M108 PolarHBondContact O-N 2.66Å; M108-S110 PolarHBondContact O-N 2.76Å; M108-S110 VanDerWaalsContact O-N 3.15Å; M108-Y111 HydrophobicContact CE-CD1 4.34Å; M108-Y111 WeakPolarHBondContact O-CB 3.33Å; M108-Y111 PolarHBondContact O-N 2.82Å; M108-E112 WeakPolarHBondContact O-CB 3.24Å; M108-E112 VanDerWaalsContact O-CG 3.32Å; M108-E112 WeakPolarHBondContact O-CG 3.47Å; M108-E112 PolarHBondContact O-N 3.22Å; M108-F146 HydrophobicContact CE-CE1 4.25Å; M108-F146 HydrophobicContact CE-CZ 3.68Å; M108-F146 HydrophobicContact SD-CE1 4.04Å; M108-F146 HydrophobicContact SD-CE2 4.37Å; M108-F146 HydrophobicContact SD-CZ 3.4Å; M108-F146 WeakPolarHBondContact SD-CZ 3.18Å
109	K	97.1	Very high	96.1	Very high	132 Å²	132	65 Å²	65	57%	0.574	34%	0.34	S	S	*	.	H	α-helix	trans	-57.1	-33.5	174.9	-75.4	-172.7	176.1	-169.9	0	112.7	L105 T113	L105-K109 HydrophobicContact CD1-CG 4.45Å; L105-K109 WeakPolarHBondContact O-CG 3.43Å; L105-K109 PolarHBondContact O-N 2.82Å; K109-T113 VanDerWaalsContact O-CG2 3.31Å; K109-T113 WeakPolarHBondContact O-CG2 3.5Å
110	S	95.8	Very high	96	Very high	35 Å²	35	63.7 Å²	63.7	25%	0.245	33%	0.326	C	S	.	.	H	α-helix	trans	-73.1	-48.5	174.8	-166.2	0	0	0	0	110.2	R106 V107 M108 E112 T113 R114 L123	R106-S110 PolarHBondContact O-N 2.92Å; V107-S110 CarbonylContact O-C 3.6Å; V107-S110 WeakPolarHBondContact O-CA 3.31Å; V107-S110 WeakPolarHBondContact O-CB 3.31Å; V107-S110 PolarHBondContact O-N 3.36Å; V107-S110 VanDerWaalsContact O-N 3.08Å; M108-S110 PolarHBondContact O-N 2.76Å; M108-S110 VanDerWaalsContact O-N 3.15Å; S110-E112 VanDerWaalsContact C-N 3.33Å; S110-E112 PolarHBondContact O-N 2.81Å; S110-T113 PolarHBondContact O-N 3.01Å; S110-T113 PolarHBondContact O-OG1 2.83Å; S110-R114 VanDerWaalsContact C-NH1 3.35Å; S110-R114 WeakPolarHBondContact O-CD 3.13Å; S110-R114 PolarHBondContact O-NE 3.24Å; S110-R114 PolarHBondContact O-NH1 3.08Å; S110-R114 PolarHBondContact OG-NH1 2.95Å; S110-R114 PolarHBondContact OG-NH2 3.21Å; S110-L123 WeakPolarHBondContact OG-CD1 3.44Å
111	Y	96.5	Very high	95.8	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-57	-43.1	-180	178.2	-89.6	0	0	0	112.6	V107 M108 T113 R114 K120 L123 L124 E145 F146 I149	V107-Y111 WeakPolarHBondContact O-CB 3.42Å; V107-Y111 PolarHBondContact O-N 3.18Å; M108-Y111 HydrophobicContact CE-CD1 4.34Å; M108-Y111 WeakPolarHBondContact O-CB 3.33Å; M108-Y111 PolarHBondContact O-N 2.82Å; Y111-T113 VanDerWaalsContact C-N 3.28Å; Y111-T113 PolarHBondContact O-N 2.87Å; Y111-R114 PolarHBondContact O-N 3.23Å; Y111-R114 VanDerWaalsContact O-N 3.08Å; Y111-K120 HydrophobicContact CD2-CB 4.1Å; Y111-K120 HydrophobicContact CD2-CD 4.36Å; Y111-K120 HydrophobicContact CD2-CG 3.96Å; Y111-K120 HydrophobicContact CE1-CD 4.1Å; Y111-K120 HydrophobicContact CE2-CB 3.65Å; Y111-K120 HydrophobicContact CE2-CD 3.68Å; Y111-K120 HydrophobicContact CE2-CG 3.67Å; Y111-K120 PolarHBondContact OH-NZ 2.84Å; Y111-L123 HydrophobicContact CD2-CD2 4.28Å; Y111-L124 HydrophobicContact CE2-CD1 4.29Å; Y111-E145 HydrophobicContact CE1-CG 4.19Å; Y111-E145 WeakPolarHBondContact CE1-OE1 3.25Å; Y111-E145 PolarHBondContact OH-OE1 3.01Å; Y111-F146 HydrophobicContact CD1-CE1 4.29Å; Y111-F146 HydrophobicContact CD2-CE1 4.21Å; Y111-F146 HydrophobicContact CE1-CE1 4.03Å; Y111-F146 HydrophobicContact CE2-CD1 4.01Å; Y111-F146 AromaticContact CE2-CE1 3.94Å; Y111-F146 HydrophobicContact CE2-CE1 3.94Å; Y111-F146 HydrophobicContact CG-CE1 4.37Å; Y111-F146 AromaticContact CZ-CE1 3.85Å; Y111-I149 HydrophobicContact CE2-CG1 4.34Å; Y111-I149 VanDerWaalsContact OH-CG1 3.3Å; Y111-I149 WeakPolarHBondContact OH-CG1 3.19Å
112	E	95.1	Very high	95.6	Very high	133 Å²	133	61.7 Å²	61.7	62%	0.621	32%	0.315	S	S	*	.	H	α-helix	trans	-64.1	-26.6	179.8	-72.7	165.7	-172.6	0	0	113.8	M108 S110 R114	M108-E112 WeakPolarHBondContact O-CB 3.24Å; M108-E112 VanDerWaalsContact O-CG 3.32Å; M108-E112 WeakPolarHBondContact O-CG 3.47Å; M108-E112 PolarHBondContact O-N 3.22Å; S110-E112 VanDerWaalsContact C-N 3.33Å; S110-E112 PolarHBondContact O-N 2.81Å; E112-R114 PolarHBondContact O-N 2.81Å
113	T	95.8	Very high	95.5	Very high	99 Å²	99	60.2 Å²	60.2	61%	0.607	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-3.5	176.8	74.7	0	0	0	0	112.8	K109 S110 Y111	K109-T113 VanDerWaalsContact O-CG2 3.31Å; K109-T113 WeakPolarHBondContact O-CG2 3.5Å; S110-T113 PolarHBondContact O-N 3.01Å; S110-T113 PolarHBondContact O-OG1 2.83Å; Y111-T113 VanDerWaalsContact C-N 3.28Å; Y111-T113 PolarHBondContact O-N 2.87Å
114	R	95	Very high	95.4	Very high	84 Å²	84	59.7 Å²	59.7	32%	0.317	30%	0.302	S	S	.	.			trans	-97.3	125.5	176.9	-76.3	72.2	177.2	157.1	-0.5	108.5	S110 Y111 E112 D119 K120	S110-R114 VanDerWaalsContact C-NH1 3.35Å; S110-R114 WeakPolarHBondContact O-CD 3.13Å; S110-R114 PolarHBondContact O-NE 3.24Å; S110-R114 PolarHBondContact O-NH1 3.08Å; S110-R114 PolarHBondContact OG-NH1 2.95Å; S110-R114 PolarHBondContact OG-NH2 3.21Å; Y111-R114 PolarHBondContact O-N 3.23Å; Y111-R114 VanDerWaalsContact O-N 3.08Å; E112-R114 PolarHBondContact O-N 2.81Å; R114-D119 HydrophobicContact CB-CB 4.14Å; R114-D119 HydrophobicContact CG-CB 3.81Å; R114-K120 HydrophobicContact CB-CG 3.77Å; R114-K120 VanDerWaalsContact O-CE 3.24Å; R114-K120 WeakPolarHBondContact O-CE 3.48Å
115	T	92	Very high	95.2	Very high	137 Å²	137	60 Å²	60	84%	0.84	30%	0.303	S	S	*	.			trans	-93.8	-31.7	-178.7	52.1	0	0	0	0	112.4
116	N	93.3	Very high	95.1	Very high	64 Å²	64	58.5 Å²	58.5	34%	0.342	30%	0.298	S	S	.	.	S	Bend	trans	-86.8	130.9	179.6	179.6	7.4	0	0	0	111.5	L118 D119 K120	N116-L118 PolarHBondContact O-N 2.96Å; N116-L118 PolarHBondContact OD1-N 2.78Å; N116-L118 VanDerWaalsContact OD1-N 3.12Å; N116-D119 HydrophobicContact CB-CB 4.47Å; N116-D119 PolarHBondContact O-N 3.21Å; N116-K120 PolarHBondContact O-N 2.91Å
117	P	92.2	Very high	95.1	Very high	57 Å²	57	52 Å²	52	37%	0.37	27%	0.274	S	S	.	.	H	α-helix	trans	-52.1	-35.9	173	-29.2	35.6	0	0	0	114.6	K120 Y121 I149 T154	P117-K120 WeakPolarHBondContact O-CB 3.44Å; P117-K120 PolarHBondContact O-N 3.45Å; P117-Y121 PolarHBondContact O-N 2.93Å; P117-I149 HydrophobicContact CB-CD1 4.31Å; P117-T154 HydrophobicContact CB-CG2 3.8Å; P117-T154 WeakPolarHBondContact O-CG2 3.47Å
118	L	91.8	Very high	95	Very high	12 Å²	12	52 Å²	52	6%	0.063	27%	0.273	C	S	.	.	H	α-helix	trans	-67.6	-38.8	179.6	-175.9	65.7	0	0	0	112.7	N116 K120 Y121 I122 L157 A158	N116-L118 PolarHBondContact O-N 2.96Å; N116-L118 PolarHBondContact OD1-N 2.78Å; N116-L118 VanDerWaalsContact OD1-N 3.12Å; L118-K120 VanDerWaalsContact C-N 3.29Å; L118-K120 PolarHBondContact O-N 3.32Å; L118-Y121 HydrophobicContact CD1-CD1 4.32Å; L118-Y121 WeakPolarHBondContact O-CB 3.25Å; L118-Y121 PolarHBondContact O-N 3.28Å; L118-I122 HydrophobicContact CG-CD1 4.2Å; L118-I122 WeakPolarHBondContact O-CG1 3.32Å; L118-I122 PolarHBondContact O-N 2.98Å; L118-L157 HydrophobicContact CB-CD2 4.24Å; L118-A158 HydrophobicContact CD1-CB 3.9Å
119	D	93.6	Very high	94.9	Very high	75 Å²	75	51.3 Å²	51.3	40%	0.401	27%	0.27	S	S	.	.	H	α-helix	trans	-66.7	-36.6	176.1	-68.2	-32.7	0	0	0	111.2	R114 N116 L123	R114-D119 HydrophobicContact CB-CB 4.14Å; R114-D119 HydrophobicContact CG-CB 3.81Å; N116-D119 HydrophobicContact CB-CB 4.47Å; N116-D119 PolarHBondContact O-N 3.21Å; D119-L123 WeakPolarHBondContact O-CB 3.32Å; D119-L123 PolarHBondContact O-N 3.17Å
120	K	95.9	Very high	94.8	Very high	37 Å²	37	51 Å²	51	16%	0.161	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-44.6	171.6	-72.2	176.6	161.4	-164.4	0	111	Y111 R114 N116 P117 L118 L123 L124 E145 I149	Y111-K120 HydrophobicContact CD2-CB 4.1Å; Y111-K120 HydrophobicContact CD2-CD 4.36Å; Y111-K120 HydrophobicContact CD2-CG 3.96Å; Y111-K120 HydrophobicContact CE1-CD 4.1Å; Y111-K120 HydrophobicContact CE2-CB 3.65Å; Y111-K120 HydrophobicContact CE2-CD 3.68Å; Y111-K120 HydrophobicContact CE2-CG 3.67Å; Y111-K120 PolarHBondContact OH-NZ 2.84Å; R114-K120 HydrophobicContact CB-CG 3.77Å; R114-K120 VanDerWaalsContact O-CE 3.24Å; R114-K120 WeakPolarHBondContact O-CE 3.48Å; N116-K120 PolarHBondContact O-N 2.91Å; P117-K120 WeakPolarHBondContact O-CB 3.44Å; P117-K120 PolarHBondContact O-N 3.45Å; L118-K120 VanDerWaalsContact C-N 3.29Å; L118-K120 PolarHBondContact O-N 3.32Å; K120-L123 WeakPolarHBondContact O-CB 3.41Å; K120-L123 PolarHBondContact O-N 3.46Å; K120-L124 WeakPolarHBondContact O-CG 3.44Å; K120-L124 PolarHBondContact O-N 3.43Å; K120-E145 IonicContact NZ-OE1 3.87Å; K120-E145 PolarHBondContact NZ-OE1 3.4Å; K120-I149 HydrophobicContact CB-CD1 4.39Å; K120-I149 HydrophobicContact CB-CG2 3.89Å; K120-I149 HydrophobicContact CD-CD1 4.14Å
121	Y	94.5	Very high	94.9	Very high	14 Å²	14	49.5 Å²	49.5	6%	0.055	26%	0.255	C	S	.	.	H	α-helix	trans	-59.1	-51.3	174.8	172.7	-94	0	0	0	111.9	P117 L118 L123 L124 M125 I149 V155 A158	P117-Y121 PolarHBondContact O-N 2.93Å; L118-Y121 HydrophobicContact CD1-CD1 4.32Å; L118-Y121 WeakPolarHBondContact O-CB 3.25Å; L118-Y121 PolarHBondContact O-N 3.28Å; Y121-L123 VanDerWaalsContact C-N 3.26Å; Y121-L123 PolarHBondContact O-N 3.22Å; Y121-L124 PolarHBondContact O-N 2.6Å; Y121-L124 VanDerWaalsContact O-N 3.09Å; Y121-M125 HydrophobicContact CD1-CG 4.05Å; Y121-M125 HydrophobicContact CD2-CG 4.14Å; Y121-M125 HydrophobicContact CE1-CG 3.6Å; Y121-M125 HydrophobicContact CE2-CE 4.21Å; Y121-M125 HydrophobicContact CE2-CG 3.75Å; Y121-M125 HydrophobicContact CE2-SD 3.94Å; Y121-M125 HydrophobicContact CG-CG 4.31Å; Y121-M125 VanDerWaalsContact CZ-CG 3.46Å; Y121-M125 WeakPolarHBondContact O-CG 3.34Å; Y121-M125 PolarHBondContact O-N 3.24Å; Y121-I149 VanDerWaalsContact CD2-O 3.28Å; Y121-I149 WeakPolarHBondContact CD2-O 3.34Å; Y121-V155 HydrophobicContact CE2-CG2 4.4Å; Y121-A158 HydrophobicContact CD1-CB 3.59Å; Y121-A158 HydrophobicContact CD2-CB 4.4Å; Y121-A158 HydrophobicContact CE1-CB 3.36Å; Y121-A158 HydrophobicContact CE2-CB 4.2Å; Y121-A158 HydrophobicContact CG-CB 4.11Å
122	I	93.4	Very high	95	Very high	43 Å²	43	49.5 Å²	49.5	22%	0.221	26%	0.255	C	S	.	.	H	α-helix	trans	-58.1	-40.8	178.6	-69.2	163.6	0	0	0	110.9	L118 T126	L118-I122 HydrophobicContact CG-CD1 4.2Å; L118-I122 WeakPolarHBondContact O-CG1 3.32Å; L118-I122 PolarHBondContact O-N 2.98Å; I122-T126 VanDerWaalsContact O-CB 3.3Å; I122-T126 WeakPolarHBondContact O-CB 3.4Å; I122-T126 PolarHBondContact O-N 3.23Å; I122-T126 PolarHBondContact O-OG1 2.9Å
123	L	95.8	Very high	95.1	Very high	28 Å²	28	44 Å²	44	15%	0.147	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-44.2	176.8	176.2	139.8	0	0	0	112.1	V107 S110 Y111 D119 K120 Y121 L127	V107-L123 HydrophobicContact CG1-CD2 4.24Å; S110-L123 WeakPolarHBondContact OG-CD1 3.44Å; Y111-L123 HydrophobicContact CD2-CD2 4.28Å; D119-L123 WeakPolarHBondContact O-CB 3.32Å; D119-L123 PolarHBondContact O-N 3.17Å; K120-L123 WeakPolarHBondContact O-CB 3.41Å; K120-L123 PolarHBondContact O-N 3.46Å; Y121-L123 VanDerWaalsContact C-N 3.26Å; Y121-L123 PolarHBondContact O-N 3.22Å; L123-L127 PolarHBondContact O-N 3.26Å
124	L	96.7	Very high	95.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-70.7	-40.4	179	-68.2	-179	0	0	0	112.2	Y111 K120 Y121 L127 Q128 F135 V138 L139 F146 I149 V150	Y111-L124 HydrophobicContact CE2-CD1 4.29Å; K120-L124 WeakPolarHBondContact O-CG 3.44Å; K120-L124 PolarHBondContact O-N 3.43Å; Y121-L124 PolarHBondContact O-N 2.6Å; Y121-L124 VanDerWaalsContact O-N 3.09Å; L124-L127 WeakPolarHBondContact O-CB 3.27Å; L124-L127 PolarHBondContact O-N 3.26Å; L124-L127 VanDerWaalsContact O-N 3.13Å; L124-Q128 PolarHBondContact O-N 3.03Å; L124-F135 HydrophobicContact CB-CE2 4.18Å; L124-F135 VanDerWaalsContact O-CD2 3.31Å; L124-F135 WeakPolarHBondContact O-CD2 3.15Å; L124-F135 WeakPolarHBondContact O-CE2 3.34Å; L124-V138 HydrophobicContact CD2-CG1 4.23Å; L124-L139 HydrophobicContact CD1-CD2 4.35Å; L124-F146 HydrophobicContact CD1-CD1 4.1Å; L124-I149 HydrophobicContact CD1-CB 4.13Å; L124-I149 HydrophobicContact CD1-CG2 3.72Å; L124-V150 HydrophobicContact CB-CG1 4.17Å; L124-V150 HydrophobicContact CD1-CG1 3.63Å
125	M	94.5	Very high	95.4	Very high	21 Å²	21	35.6 Å²	35.6	10%	0.103	19%	0.187	C	C	.	.	H	α-helix	trans	-64.6	-40.9	175.1	-65.8	-57.9	99.1	0	0	111.7	Y121 L127 Q128 D129 F135 V150 V220	Y121-M125 HydrophobicContact CD1-CG 4.05Å; Y121-M125 HydrophobicContact CD2-CG 4.14Å; Y121-M125 HydrophobicContact CE1-CG 3.6Å; Y121-M125 HydrophobicContact CE2-CE 4.21Å; Y121-M125 HydrophobicContact CE2-CG 3.75Å; Y121-M125 HydrophobicContact CE2-SD 3.94Å; Y121-M125 HydrophobicContact CG-CG 4.31Å; Y121-M125 VanDerWaalsContact CZ-CG 3.46Å; Y121-M125 WeakPolarHBondContact O-CG 3.34Å; Y121-M125 PolarHBondContact O-N 3.24Å; M125-L127 PolarHBondContact O-N 3.38Å; M125-Q128 WeakPolarHBondContact O-CB 3.13Å; M125-Q128 PolarHBondContact O-N 2.9Å; M125-Q128 VanDerWaalsContact O-N 3.14Å; M125-D129 PolarHBondContact O-N 2.98Å; M125-F135 HydrophobicContact CE-CE2 3.87Å; M125-F135 HydrophobicContact CE-CZ 3.91Å; M125-V150 HydrophobicContact CE-CB 4.22Å; M125-V150 HydrophobicContact CE-CG1 3.89Å; M125-V220 HydrophobicContact SD-CG1 4.37Å
126	T	94.8	Very high	95.8	Very high	64 Å²	64	29.4 Å²	29.4	39%	0.393	15%	0.148	S	C	.	.	H	α-helix	trans	-62.6	-33.7	173.5	-57	0	0	0	0	111.8	I122 R130	I122-T126 VanDerWaalsContact O-CB 3.3Å; I122-T126 WeakPolarHBondContact O-CB 3.4Å; I122-T126 PolarHBondContact O-N 3.23Å; I122-T126 PolarHBondContact O-OG1 2.9Å; T126-R130 WeakPolarHBondContact O-CB 3.05Å; T126-R130 PolarHBondContact O-N 2.69Å
127	L	97.3	Very high	96	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-67	-44.7	173.9	175.1	64.3	0	0	0	111.1	V107 L123 L124 M125 D129 R130 N131 L134 F135 V138	V107-L127 HydrophobicContact CG1-CD2 3.91Å; V107-L127 HydrophobicContact CG2-CD1 4.23Å; V107-L127 HydrophobicContact CG2-CD2 3.97Å; L123-L127 PolarHBondContact O-N 3.26Å; L124-L127 WeakPolarHBondContact O-CB 3.27Å; L124-L127 PolarHBondContact O-N 3.26Å; L124-L127 VanDerWaalsContact O-N 3.13Å; M125-L127 PolarHBondContact O-N 3.38Å; L127-D129 VanDerWaalsContact C-N 3.28Å; L127-D129 PolarHBondContact O-N 3.05Å; L127-R130 PolarHBondContact O-N 2.93Å; L127-N131 PolarHBondContact O-N 2.96Å; L127-L134 HydrophobicContact CD1-CB 4.28Å; L127-L134 HydrophobicContact CD1-CD2 3.78Å; L127-L134 HydrophobicContact CD1-CG 3.96Å; L127-F135 HydrophobicContact CD2-CB 4.32Å; L127-F135 HydrophobicContact CG-CB 4.02Å; L127-V138 HydrophobicContact CD2-CB 4.44Å; L127-V138 HydrophobicContact CD2-CG2 4.06Å
128	Q	96.8	Very high	96.3	Very high	10 Å²	10	26.5 Å²	26.5	5%	0.047	13%	0.125	C	C	.	.	H	α-helix	trans	-57.1	-41.3	175.5	-164.7	-176.7	22.9	0	0	111.8	P71 L124 M125 R130 F135 R170	P71-Q128 WeakPolarHBondContact CB-O 3.37Å; L124-Q128 PolarHBondContact O-N 3.03Å; M125-Q128 WeakPolarHBondContact O-CB 3.13Å; M125-Q128 PolarHBondContact O-N 2.9Å; M125-Q128 VanDerWaalsContact O-N 3.14Å; Q128-R130 PolarHBondContact O-N 3.19Å; Q128-F135 HydrophobicContact CB-CB 4.24Å; Q128-F135 HydrophobicContact CB-CD1 3.99Å; Q128-F135 HydrophobicContact CB-CD2 3.74Å; Q128-F135 HydrophobicContact CB-CE1 4.21Å; Q128-F135 HydrophobicContact CB-CE2 3.98Å; Q128-F135 HydrophobicContact CB-CG 3.73Å; Q128-F135 HydrophobicContact CB-CZ 4.19Å; Q128-F135 HydrophobicContact CG-CD1 3.67Å; Q128-F135 HydrophobicContact CG-CD2 4.34Å; Q128-F135 HydrophobicContact CG-CE1 3.79Å; Q128-F135 HydrophobicContact CG-CE2 4.45Å; Q128-F135 HydrophobicContact CG-CG 3.94Å; Q128-F135 HydrophobicContact CG-CZ 4.17Å; Q128-R170 PolarHBondContact O-NH2 3.35Å
129	D	94.4	Very high	96.6	Very high	26 Å²	26	26 Å²	26	14%	0.139	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-13.8	176.9	-71.6	-20.1	0	0	0	115.3	M125 L127 R168 R170	M125-D129 PolarHBondContact O-N 2.98Å; L127-D129 VanDerWaalsContact C-N 3.28Å; L127-D129 PolarHBondContact O-N 3.05Å; D129-R168 PolarHBondContact O-NH1 3.1Å; D129-R168 WeakPolarHBondContact OD2-CB 3.25Å; D129-R170 VanDerWaalsContact CA-NH2 3.31Å; D129-R170 IonicContact OD1-CZ 2.92Å; D129-R170 IonicContact OD1-NE 3.98Å; D129-R170 PolarHBondContact OD1-NE 3.24Å; D129-R170 IonicContact OD1-NH2 2.65Å; D129-R170 PolarHBondContact OD1-NH2 2.97Å
130	R	96.3	Very high	96.7	Very high	125 Å²	125	24.3 Å²	24.3	47%	0.472	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-43	-177.4	-174.4	-178.2	67	-143.6	-0.5	112.5	N74 T126 L127 Q128	N74-R130 WeakPolarHBondContact CB-O 3.24Å; N74-R130 PolarHBondContact ND2-O 2.93Å; T126-R130 WeakPolarHBondContact O-CB 3.05Å; T126-R130 PolarHBondContact O-N 2.69Å; L127-R130 PolarHBondContact O-N 2.93Å; Q128-R130 PolarHBondContact O-N 3.19Å
131	N	98.1	Very high	96.7	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	12%	0.121	C	C	.	.			trans	-157.4	99.1	-171.9	-177.6	-29.1	0	0	0	109.5	N74 L127 L134 F135 Y598	N74-N131 PolarHBondContact O-ND2 3.02Å; N74-N131 PolarHBondContact O-OD1 3.27Å; L127-N131 PolarHBondContact O-N 2.96Å; N131-L134 HydrophobicContact CB-CB 4.07Å; N131-L134 VanDerWaalsContact CG-CB 3.41Å; N131-L134 PolarHBondContact O-N 3.47Å; N131-L134 VanDerWaalsContact OD1-CB 3.24Å; N131-L134 WeakPolarHBondContact OD1-CB 3.37Å; N131-L134 PolarHBondContact OD1-N 3.42Å; N131-F135 PolarHBondContact O-N 2.87Å; N131-Y598 PolarHBondContact ND2-OH 3.17Å; N131-Y598 PolarHBondContact OD1-OH 3.25Å
132	E	97.8	Very high	96.8	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.019	13%	0.133	C	C	.	.	H	α-helix	trans	-69	-41.7	-171.8	-173.3	171.1	-102.1	0	0	112.5	P71 H72 L134 F135 Y136 P234 Q235	P71-E132 WeakPolarHBondContact O-CB 3.35Å; P71-E132 PolarHBondContact O-N 3.39Å; H72-E132 IonicContact CE1-OE1 2.77Å; H72-E132 PolarHBondContact CE1-OE1 3.43Å; H72-E132 VanDerWaalsContact CE1-OE1 3.23Å; H72-E132 IonicContact CE1-OE2 2.72Å; H72-E132 IonicContact CG-OE2 3.75Å; H72-E132 IonicContact ND1-OE1 3.8Å; H72-E132 PolarHBondContact ND1-OE1 2.91Å; H72-E132 VanDerWaalsContact ND1-OE1 3.15Å; H72-E132 IonicContact ND1-OE2 3.61Å; H72-E132 PolarHBondContact ND1-OE2 2.91Å; E132-L134 PolarHBondContact O-N 3.34Å; E132-F135 WeakPolarHBondContact O-CB 3.35Å; E132-F135 PolarHBondContact O-N 3.25Å; E132-Y136 HydrophobicContact CG-CD2 3.84Å; E132-Y136 HydrophobicContact CG-CE2 3.54Å; E132-Y136 WeakPolarHBondContact O-CD2 3.4Å; E132-Y136 PolarHBondContact O-N 3.04Å; E132-P234 HydrophobicContact CG-CB 4.46Å; E132-P234 HydrophobicContact CG-CG 4.06Å; E132-P234 WeakPolarHBondContact OE2-CG 3.34Å; E132-Q235 PolarHBondContact OE2-NE2 3.15Å
133	K	98.3	Very high	96.9	Very high	19 Å²	19	25.4 Å²	25.4	8%	0.083	13%	0.126	C	C	.	.	H	α-helix	trans	-60.1	-45.2	175.4	-72.9	-86.4	-177	161.4	0	111.5	R137 Y594 S595 P596 D597 Y598 D599	K133-R137 VanDerWaalsContact O-CB 3.27Å; K133-R137 WeakPolarHBondContact O-CB 3.49Å; K133-R137 PolarHBondContact O-N 3.31Å; K133-Y594 HydrophobicContact CD-CE2 4.38Å; K133-Y594 VanDerWaalsContact CD-OH 3.27Å; K133-Y594 WeakPolarHBondContact CD-OH 3.24Å; K133-S595 WeakPolarHBondContact CE-O 3.41Å; K133-S595 PolarHBondContact NZ-O 3.05Å; K133-P596 WeakPolarHBondContact CD-O 3.46Å; K133-D597 VanDerWaalsContact CD-O 3.28Å; K133-D597 WeakPolarHBondContact CD-O 3.29Å; K133-D597 WeakPolarHBondContact CE-O 3.41Å; K133-D597 PolarHBondContact NZ-O 3.42Å; K133-Y598 HydrophobicContact CB-CD1 3.72Å; K133-Y598 HydrophobicContact CB-CE1 3.62Å; K133-Y598 HydrophobicContact CG-CD1 4.15Å; K133-Y598 HydrophobicContact CG-CE1 4.46Å; K133-D599 WeakPolarHBondContact CE-OD2 3.45Å; K133-D599 IonicContact NZ-OD1 3.31Å; K133-D599 IonicContact NZ-OD2 2.62Å; K133-D599 PolarHBondContact NZ-OD2 3.14Å
134	L	98.7	Very high	96.7	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-67.3	-38.2	176.7	-175.9	59.1	0	0	0	112.5	Q100 Q103 V104 V107 L127 N131 E132 R137 V138	Q100-L134 HydrophobicContact CG-CD1 4.13Å; Q103-L134 HydrophobicContact CB-CD1 3.75Å; Q103-L134 HydrophobicContact CB-CD2 3.78Å; Q103-L134 HydrophobicContact CB-CG 4.45Å; V104-L134 HydrophobicContact CG2-CD1 3.81Å; V107-L134 HydrophobicContact CG2-CD2 4.23Å; L127-L134 HydrophobicContact CD1-CB 4.28Å; L127-L134 HydrophobicContact CD1-CD2 3.78Å; L127-L134 HydrophobicContact CD1-CG 3.96Å; N131-L134 HydrophobicContact CB-CB 4.07Å; N131-L134 VanDerWaalsContact CG-CB 3.41Å; N131-L134 PolarHBondContact O-N 3.47Å; N131-L134 VanDerWaalsContact OD1-CB 3.24Å; N131-L134 WeakPolarHBondContact OD1-CB 3.37Å; N131-L134 PolarHBondContact OD1-N 3.42Å; E132-L134 PolarHBondContact O-N 3.34Å; L134-R137 PolarHBondContact O-N 2.93Å; L134-V138 HydrophobicContact CD1-CG2 4.39Å; L134-V138 VanDerWaalsContact O-CG2 3.3Å; L134-V138 WeakPolarHBondContact O-CG2 3.46Å; L134-V138 PolarHBondContact O-N 2.88Å
135	F	98.6	Very high	96.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-55.8	-54.9	173.9	170.4	-105.5	0	0	0	111.3	L124 M125 L127 Q128 N131 E132 R137 V138 L139 V150 A224	L124-F135 HydrophobicContact CB-CE2 4.18Å; L124-F135 VanDerWaalsContact O-CD2 3.31Å; L124-F135 WeakPolarHBondContact O-CD2 3.15Å; L124-F135 WeakPolarHBondContact O-CE2 3.34Å; M125-F135 HydrophobicContact CE-CE2 3.87Å; M125-F135 HydrophobicContact CE-CZ 3.91Å; L127-F135 HydrophobicContact CD2-CB 4.32Å; L127-F135 HydrophobicContact CG-CB 4.02Å; Q128-F135 HydrophobicContact CB-CB 4.24Å; Q128-F135 HydrophobicContact CB-CD1 3.99Å; Q128-F135 HydrophobicContact CB-CD2 3.74Å; Q128-F135 HydrophobicContact CB-CE1 4.21Å; Q128-F135 HydrophobicContact CB-CE2 3.98Å; Q128-F135 HydrophobicContact CB-CG 3.73Å; Q128-F135 HydrophobicContact CB-CZ 4.19Å; Q128-F135 HydrophobicContact CG-CD1 3.67Å; Q128-F135 HydrophobicContact CG-CD2 4.34Å; Q128-F135 HydrophobicContact CG-CE1 3.79Å; Q128-F135 HydrophobicContact CG-CE2 4.45Å; Q128-F135 HydrophobicContact CG-CG 3.94Å; Q128-F135 HydrophobicContact CG-CZ 4.17Å; N131-F135 PolarHBondContact O-N 2.87Å; E132-F135 WeakPolarHBondContact O-CB 3.35Å; E132-F135 PolarHBondContact O-N 3.25Å; F135-R137 VanDerWaalsContact C-N 3.33Å; F135-R137 PolarHBondContact O-N 3.45Å; F135-V138 WeakPolarHBondContact O-CB 3.18Å; F135-V138 PolarHBondContact O-N 2.99Å; F135-V138 VanDerWaalsContact O-N 3.17Å; F135-L139 HydrophobicContact CD1-CD1 4.23Å; F135-L139 HydrophobicContact CE1-CD1 3.56Å; F135-L139 HydrophobicContact CE1-CG 4.33Å; F135-L139 HydrophobicContact CE2-CD1 4.05Å; F135-L139 HydrophobicContact CE2-CD2 4.28Å; F135-L139 HydrophobicContact CE2-CG 4.22Å; F135-L139 HydrophobicContact CZ-CD1 3.46Å; F135-L139 VanDerWaalsContact CZ-CD1 3.46Å; F135-L139 HydrophobicContact CZ-CD2 4.46Å; F135-L139 HydrophobicContact CZ-CG 4.14Å; F135-L139 PolarHBondContact O-N 3.29Å; F135-V150 HydrophobicContact CE2-CG1 4.25Å; F135-V150 HydrophobicContact CZ-CG1 4.31Å; F135-A224 HydrophobicContact CE1-CB 4.24Å; F135-A224 HydrophobicContact CZ-CB 4.29Å
136	Y	98.6	Very high	96.6	Very high	6 Å²	6	31.1 Å²	31.1	2%	0.024	15%	0.152	C	C	.	.	H	α-helix	trans	-68.2	-31.5	179.3	-69.9	-63.2	0	0	0	112.9	E132 V138 L139 T140 A224 T227 A228 P234 Y594	E132-Y136 HydrophobicContact CG-CD2 3.84Å; E132-Y136 HydrophobicContact CG-CE2 3.54Å; E132-Y136 WeakPolarHBondContact O-CD2 3.4Å; E132-Y136 PolarHBondContact O-N 3.04Å; Y136-V138 VanDerWaalsContact C-N 3.3Å; Y136-V138 PolarHBondContact O-N 3.06Å; Y136-L139 HydrophobicContact CD1-CD1 4.22Å; Y136-L139 HydrophobicContact CE1-CD1 4.44Å; Y136-L139 PolarHBondContact O-N 3.27Å; Y136-T140 WeakPolarHBondContact O-CB 3.45Å; Y136-T140 WeakPolarHBondContact O-CG2 3.43Å; Y136-T140 PolarHBondContact O-N 2.93Å; Y136-T140 PolarHBondContact O-OG1 3.42Å; Y136-A224 WeakPolarHBondContact CE1-O 3.23Å; Y136-T227 HydrophobicContact CD1-CG2 3.59Å; Y136-T227 HydrophobicContact CD2-CG2 3.83Å; Y136-T227 HydrophobicContact CE1-CG2 3.46Å; Y136-T227 VanDerWaalsContact CE1-CG2 3.46Å; Y136-T227 HydrophobicContact CE2-CG2 3.69Å; Y136-T227 HydrophobicContact CG-CG2 3.78Å; Y136-T227 VanDerWaalsContact CZ-CB 3.5Å; Y136-T227 VanDerWaalsContact CZ-CG2 3.49Å; Y136-T227 PolarHBondContact OH-OG1 3.02Å; Y136-A228 HydrophobicContact CD1-CB 4.22Å; Y136-P234 HydrophobicContact CD2-CG 4.37Å; Y136-P234 HydrophobicContact CE2-CB 3.68Å; Y136-P234 HydrophobicContact CE2-CG 3.75Å; Y136-Y594 AromaticContact CD2-CE1 3.79Å; Y136-Y594 HydrophobicContact CD2-CE1 3.79Å; Y136-Y594 AromaticContact CG-CE1 3.99Å; Y136-Y594 HydrophobicContact CG-CE1 3.99Å
137	R	98.4	Very high	96.6	Very high	61 Å²	61	28.1 Å²	28.1	23%	0.23	13%	0.134	C	C	.	.	H	α-helix	trans	-61.9	-37.7	172.4	-179.1	65.8	-176.4	93.3	4.6	112.3	Q100 D101 V104 K133 L134 F135 T140 S141 P596	Q100-R137 HydrophobicContact CG-CB 4.48Å; Q100-R137 HydrophobicContact CG-CG 4.02Å; D101-R137 IonicContact OD1-CZ 3.58Å; D101-R137 IonicContact OD1-NE 2.73Å; D101-R137 IonicContact OD1-NH2 3.48Å; D101-R137 PolarHBondContact OD1-NH2 3.36Å; V104-R137 HydrophobicContact CG2-CB 4.48Å; V104-R137 HydrophobicContact CG2-CG 3.67Å; K133-R137 VanDerWaalsContact O-CB 3.27Å; K133-R137 WeakPolarHBondContact O-CB 3.49Å; K133-R137 PolarHBondContact O-N 3.31Å; L134-R137 PolarHBondContact O-N 2.93Å; F135-R137 VanDerWaalsContact C-N 3.33Å; F135-R137 PolarHBondContact O-N 3.45Å; R137-T140 PolarHBondContact O-OG1 2.96Å; R137-S141 WeakPolarHBondContact O-CB 3.26Å; R137-S141 PolarHBondContact O-N 3.25Å; R137-P596 HydrophobicContact CB-CB 4.09Å
138	V	98.4	Very high	96.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.2	-53.2	174.4	170.4	0	0	0	0	109.8	V104 V107 L124 L127 L134 F135 Y136 T140 S141 F146	V104-V138 HydrophobicContact CB-CG2 4.5Å; V104-V138 HydrophobicContact CG1-CG2 4.32Å; V104-V138 HydrophobicContact CG2-CG2 4.08Å; V107-V138 HydrophobicContact CB-CG2 4.13Å; V107-V138 HydrophobicContact CG1-CG1 4.28Å; V107-V138 HydrophobicContact CG1-CG2 4Å; V107-V138 HydrophobicContact CG2-CG2 4.39Å; L124-V138 HydrophobicContact CD2-CG1 4.23Å; L127-V138 HydrophobicContact CD2-CB 4.44Å; L127-V138 HydrophobicContact CD2-CG2 4.06Å; L134-V138 HydrophobicContact CD1-CG2 4.39Å; L134-V138 VanDerWaalsContact O-CG2 3.3Å; L134-V138 WeakPolarHBondContact O-CG2 3.46Å; L134-V138 PolarHBondContact O-N 2.88Å; F135-V138 WeakPolarHBondContact O-CB 3.18Å; F135-V138 PolarHBondContact O-N 2.99Å; F135-V138 VanDerWaalsContact O-N 3.17Å; Y136-V138 VanDerWaalsContact C-N 3.3Å; Y136-V138 PolarHBondContact O-N 3.06Å; V138-T140 VanDerWaalsContact C-N 3.28Å; V138-T140 PolarHBondContact O-N 2.71Å; V138-S141 WeakPolarHBondContact O-CB 3.09Å; V138-S141 PolarHBondContact O-N 3.4Å; V138-S141 PolarHBondContact O-OG 2.97Å; V138-F146 HydrophobicContact CG1-CD1 4.43Å; V138-F146 HydrophobicContact CG1-CD2 4.18Å; V138-F146 HydrophobicContact CG1-CE1 4.1Å; V138-F146 HydrophobicContact CG1-CE2 3.86Å; V138-F146 HydrophobicContact CG1-CG 4.49Å; V138-F146 HydrophobicContact CG1-CZ 3.85Å; V138-F146 WeakPolarHBondContact O-CD2 3.47Å; V138-F146 WeakPolarHBondContact O-CE2 3.21Å
139	L	97.9	Very high	96.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-55.1	-43.9	179.4	-63.4	-169.2	0	0	0	112.8	L124 F135 Y136 S141 D142 I143 F146 V150 A228	L124-L139 HydrophobicContact CD1-CD2 4.35Å; F135-L139 HydrophobicContact CD1-CD1 4.23Å; F135-L139 HydrophobicContact CE1-CD1 3.56Å; F135-L139 HydrophobicContact CE1-CG 4.33Å; F135-L139 HydrophobicContact CE2-CD1 4.05Å; F135-L139 HydrophobicContact CE2-CD2 4.28Å; F135-L139 HydrophobicContact CE2-CG 4.22Å; F135-L139 HydrophobicContact CZ-CD1 3.46Å; F135-L139 VanDerWaalsContact CZ-CD1 3.46Å; F135-L139 HydrophobicContact CZ-CD2 4.46Å; F135-L139 HydrophobicContact CZ-CG 4.14Å; F135-L139 PolarHBondContact O-N 3.29Å; Y136-L139 HydrophobicContact CD1-CD1 4.22Å; Y136-L139 HydrophobicContact CE1-CD1 4.44Å; Y136-L139 PolarHBondContact O-N 3.27Å; L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 3.07Å; L139-D142 CarbonylContact O-C 3.46Å; L139-I143 VanDerWaalsContact O-CA 3.32Å; L139-I143 WeakPolarHBondContact O-CA 3.23Å; L139-I143 PolarHBondContact O-N 2.94Å; L139-F146 HydrophobicContact CD2-CB 3.47Å; L139-F146 VanDerWaalsContact CD2-CB 3.47Å; L139-F146 HydrophobicContact CD2-CG 4.1Å; L139-V150 HydrophobicContact CD1-CG1 4.43Å; L139-V150 HydrophobicContact CD1-CG2 4.22Å; L139-V150 HydrophobicContact CD2-CG1 3.68Å; L139-V150 HydrophobicContact CD2-CG2 4.25Å; L139-A228 HydrophobicContact CB-CB 4.17Å; L139-A228 HydrophobicContact CD1-CB 4.02Å
140	T	96.5	Very high	96.3	Very high	41 Å²	41	28.6 Å²	28.6	25%	0.252	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-7.9	-179.6	55.8	0	0	0	0	113.8	Y136 R137 V138	Y136-T140 WeakPolarHBondContact O-CB 3.45Å; Y136-T140 WeakPolarHBondContact O-CG2 3.43Å; Y136-T140 PolarHBondContact O-N 2.93Å; Y136-T140 PolarHBondContact O-OG1 3.42Å; R137-T140 PolarHBondContact O-OG1 2.96Å; V138-T140 VanDerWaalsContact C-N 3.28Å; V138-T140 PolarHBondContact O-N 2.71Å
141	S	96.1	Very high	96	Very high	41 Å²	41	23.2 Å²	23.2	29%	0.287	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-31.2	174.2	72.2	0	0	0	0	112.7	R137 V138 L139	R137-S141 WeakPolarHBondContact O-CB 3.26Å; R137-S141 PolarHBondContact O-N 3.25Å; V138-S141 WeakPolarHBondContact O-CB 3.09Å; V138-S141 PolarHBondContact O-N 3.4Å; V138-S141 PolarHBondContact O-OG 2.97Å; L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 3.07Å
142	D	96	Very high	95.3	Very high	60 Å²	60	24.4 Å²	24.4	32%	0.321	13%	0.126	S	C	.	.			trans	-156.7	83.3	175.3	-167.4	-24.2	0	0	0	109.5	L139 E144 E145 F146	L139-D142 CarbonylContact O-C 3.46Å; D142-E144 PolarHBondContact O-N 3.14Å; D142-E144 PolarHBondContact OD1-N 3.39Å; D142-E145 HydrophobicContact CB-CB 4.22Å; D142-E145 PolarHBondContact O-N 2.87Å; D142-E145 PolarHBondContact OD1-N 3.36Å; D142-E145 VanDerWaalsContact OD1-N 3.14Å; D142-F146 HydrophobicContact CB-CD2 4.28Å; D142-F146 HydrophobicContact CB-CE2 3.86Å; D142-F146 WeakPolarHBondContact O-CD2 3.36Å; D142-F146 PolarHBondContact O-N 3.19Å; D142-F146 VanDerWaalsContact O-N 3.15Å
143	I	94.5	Very high	94.9	Very high	15 Å²	15	26.8 Å²	26.8	8%	0.077	14%	0.142	C	C	.	.	H	α-helix	trans	-66.6	-26.3	-175.2	-167.4	60.1	0	0	0	112.2	L139 M147 A228 L552 I555	L139-I143 VanDerWaalsContact O-CA 3.32Å; L139-I143 WeakPolarHBondContact O-CA 3.23Å; L139-I143 PolarHBondContact O-N 2.94Å; I143-M147 HydrophobicContact CD1-CB 4.14Å; I143-M147 HydrophobicContact CG1-CB 4.3Å; I143-M147 WeakPolarHBondContact O-CB 3.35Å; I143-M147 PolarHBondContact O-N 3.46Å; I143-A228 HydrophobicContact CD1-CB 4.22Å; I143-L552 HydrophobicContact CG2-CG 4.25Å; I143-L552 WeakPolarHBondContact CG2-O 3.35Å; I143-I555 HydrophobicContact CG1-CG2 4.14Å; I143-I555 HydrophobicContact CG2-CG2 4.16Å
144	E	92.1	Very high	94.5	Very high	91 Å²	91	26.3 Å²	26.3	43%	0.425	14%	0.14	S	C	.	.	H	α-helix	trans	-67.4	-40.3	177.9	-77	175.6	-157.2	0	0	111.3	D142 P148 L552 S553	D142-E144 PolarHBondContact O-N 3.14Å; D142-E144 PolarHBondContact OD1-N 3.39Å; E144-P148 WeakPolarHBondContact O-CD 3.37Å; E144-P148 WeakPolarHBondContact O-CG 3.31Å; E144-L552 HydrophobicContact CG-CB 3.73Å; E144-L552 HydrophobicContact CG-CD2 3.89Å; E144-L552 HydrophobicContact CG-CG 4.07Å; E144-S553 WeakPolarHBondContact OE1-CB 3.27Å; E144-S553 PolarHBondContact OE1-N 2.68Å; E144-S553 PolarHBondContact OE1-OG 3.36Å
145	E	93.4	Very high	94.2	Very high	78 Å²	78	26.1 Å²	26.1	36%	0.364	14%	0.139	S	C	.	.	H	α-helix	trans	-73.7	-42.3	175.6	175.3	62.6	-161.7	0	0	112.7	Y111 K120 D142	Y111-E145 HydrophobicContact CE1-CG 4.19Å; Y111-E145 WeakPolarHBondContact CE1-OE1 3.25Å; Y111-E145 PolarHBondContact OH-OE1 3.01Å; K120-E145 IonicContact NZ-OE1 3.87Å; K120-E145 PolarHBondContact NZ-OE1 3.4Å; D142-E145 HydrophobicContact CB-CB 4.22Å; D142-E145 PolarHBondContact O-N 2.87Å; D142-E145 PolarHBondContact OD1-N 3.36Å; D142-E145 VanDerWaalsContact OD1-N 3.14Å
146	F	96.1	Very high	93.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-91.4	-27.9	-169.9	-57.4	-60.1	0	0	0	115.1	M108 Y111 L124 V138 L139 D142 I149 V150	M108-F146 HydrophobicContact CE-CE1 4.25Å; M108-F146 HydrophobicContact CE-CZ 3.68Å; M108-F146 HydrophobicContact SD-CE1 4.04Å; M108-F146 HydrophobicContact SD-CE2 4.37Å; M108-F146 HydrophobicContact SD-CZ 3.4Å; M108-F146 WeakPolarHBondContact SD-CZ 3.18Å; Y111-F146 HydrophobicContact CD1-CE1 4.29Å; Y111-F146 HydrophobicContact CD2-CE1 4.21Å; Y111-F146 HydrophobicContact CE1-CE1 4.03Å; Y111-F146 HydrophobicContact CE2-CD1 4.01Å; Y111-F146 AromaticContact CE2-CE1 3.94Å; Y111-F146 HydrophobicContact CE2-CE1 3.94Å; Y111-F146 HydrophobicContact CG-CE1 4.37Å; Y111-F146 AromaticContact CZ-CE1 3.85Å; L124-F146 HydrophobicContact CD1-CD1 4.1Å; V138-F146 HydrophobicContact CG1-CD1 4.43Å; V138-F146 HydrophobicContact CG1-CD2 4.18Å; V138-F146 HydrophobicContact CG1-CE1 4.1Å; V138-F146 HydrophobicContact CG1-CE2 3.86Å; V138-F146 HydrophobicContact CG1-CG 4.49Å; V138-F146 HydrophobicContact CG1-CZ 3.85Å; V138-F146 WeakPolarHBondContact O-CD2 3.47Å; V138-F146 WeakPolarHBondContact O-CE2 3.21Å; L139-F146 HydrophobicContact CD2-CB 3.47Å; L139-F146 VanDerWaalsContact CD2-CB 3.47Å; L139-F146 HydrophobicContact CD2-CG 4.1Å; D142-F146 HydrophobicContact CB-CD2 4.28Å; D142-F146 HydrophobicContact CB-CE2 3.86Å; D142-F146 WeakPolarHBondContact O-CD2 3.36Å; D142-F146 PolarHBondContact O-N 3.19Å; D142-F146 VanDerWaalsContact O-N 3.15Å; F146-I149 WeakPolarHBondContact O-CB 3.25Å; F146-I149 PolarHBondContact O-N 3.34Å; F146-V150 PolarHBondContact O-N 2.94Å
147	M	94.3	Very high	93.3	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-56.7	-44.1	179.1	-177.4	-176.8	81.6	0	0	112.2	I143 I149 V150 Y151 L225 A504 L552	I143-M147 HydrophobicContact CD1-CB 4.14Å; I143-M147 HydrophobicContact CG1-CB 4.3Å; I143-M147 WeakPolarHBondContact O-CB 3.35Å; I143-M147 PolarHBondContact O-N 3.46Å; M147-I149 PolarHBondContact O-N 3.09Å; M147-I149 VanDerWaalsContact O-N 3.16Å; M147-V150 PolarHBondContact O-N 3.47Å; M147-Y151 WeakPolarHBondContact O-CB 3.22Å; M147-Y151 PolarHBondContact O-N 3.18Å; M147-L225 HydrophobicContact CB-CD2 4.49Å; M147-L225 HydrophobicContact CG-CD1 3.99Å; M147-L225 HydrophobicContact CG-CD2 3.86Å; M147-L225 HydrophobicContact SD-CD1 4.29Å; M147-A504 HydrophobicContact SD-CB 3.96Å; M147-L552 HydrophobicContact CE-CD1 3.98Å; M147-L552 HydrophobicContact CE-CD2 3.3Å; M147-L552 HydrophobicContact CE-CG 4.31Å; M147-L552 HydrophobicContact SD-CD1 3.96Å; M147-L552 HydrophobicContact SD-CD2 3.93Å
148	P	92.5	Very high	92.9	Very high	36 Å²	36	26.1 Å²	26.1	23%	0.234	15%	0.146	C	C	.	.	H	α-helix	trans	-65.2	-17.3	177.1	-21.7	34.7	0	0	0	114.8	E144 T152 T154	E144-P148 WeakPolarHBondContact O-CD 3.37Å; E144-P148 WeakPolarHBondContact O-CG 3.31Å; P148-T152 WeakPolarHBondContact CA-O 3.01Å; P148-T154 WeakPolarHBondContact O-CB 3.38Å; P148-T154 PolarHBondContact O-N 2.88Å; P148-T154 PolarHBondContact O-OG1 3.19Å
149	I	94.9	Very high	92.6	Very high	13 Å²	13	26.1 Å²	26.1	7%	0.067	15%	0.146	C	C	.	.	H	α-helix	trans	-87.6	-49.6	176.4	-56.3	-57.7	0	0	0	111.1	Y111 P117 K120 Y121 L124 F146 M147 Y151 T154	Y111-I149 HydrophobicContact CE2-CG1 4.34Å; Y111-I149 VanDerWaalsContact OH-CG1 3.3Å; Y111-I149 WeakPolarHBondContact OH-CG1 3.19Å; P117-I149 HydrophobicContact CB-CD1 4.31Å; K120-I149 HydrophobicContact CB-CD1 4.39Å; K120-I149 HydrophobicContact CB-CG2 3.89Å; K120-I149 HydrophobicContact CD-CD1 4.14Å; Y121-I149 VanDerWaalsContact CD2-O 3.28Å; Y121-I149 WeakPolarHBondContact CD2-O 3.34Å; L124-I149 HydrophobicContact CD1-CB 4.13Å; L124-I149 HydrophobicContact CD1-CG2 3.72Å; F146-I149 WeakPolarHBondContact O-CB 3.25Å; F146-I149 PolarHBondContact O-N 3.34Å; M147-I149 PolarHBondContact O-N 3.09Å; M147-I149 VanDerWaalsContact O-N 3.16Å; I149-Y151 VanDerWaalsContact C-N 3.32Å; I149-T154 WeakPolarHBondContact O-CB 3.43Å
150	V	94.1	Very high	92.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-80.8	-14.9	-177.2	-59.4	0	0	0	0	113.7	L124 M125 F135 L139 F146 M147 L225	L124-V150 HydrophobicContact CB-CG1 4.17Å; L124-V150 HydrophobicContact CD1-CG1 3.63Å; M125-V150 HydrophobicContact CE-CB 4.22Å; M125-V150 HydrophobicContact CE-CG1 3.89Å; F135-V150 HydrophobicContact CE2-CG1 4.25Å; F135-V150 HydrophobicContact CZ-CG1 4.31Å; L139-V150 HydrophobicContact CD1-CG1 4.43Å; L139-V150 HydrophobicContact CD1-CG2 4.22Å; L139-V150 HydrophobicContact CD2-CG1 3.68Å; L139-V150 HydrophobicContact CD2-CG2 4.25Å; F146-V150 PolarHBondContact O-N 2.94Å; M147-V150 PolarHBondContact O-N 3.47Å; V150-L225 HydrophobicContact CG2-CD2 4.17Å
151	Y	90.6	Very high	91.9	Very high	13 Å²	13	32.4 Å²	32.4	5%	0.051	17%	0.173	C	C	.	.	S	Bend	trans	-134.9	-146.5	178.2	-165.6	-119.6	0	0	0	110.3	M147 I149 P153 T154 V155 K222 L225	M147-Y151 WeakPolarHBondContact O-CB 3.22Å; M147-Y151 PolarHBondContact O-N 3.18Å; I149-Y151 VanDerWaalsContact C-N 3.32Å; Y151-P153 CarbonylContact O-C 3.09Å; Y151-T154 PolarHBondContact O-N 3.18Å; Y151-V155 HydrophobicContact CD2-CG1 4.05Å; Y151-V155 HydrophobicContact CE2-CG1 4.47Å; Y151-V155 WeakPolarHBondContact O-CG1 3.46Å; Y151-V155 PolarHBondContact O-N 2.95Å; Y151-K222 HydrophobicContact CD2-CG 4.44Å; Y151-K222 HydrophobicContact CE2-CG 3.58Å; Y151-K222 WeakPolarHBondContact OH-CE 3.37Å; Y151-L225 HydrophobicContact CD1-CD1 3.47Å; Y151-L225 VanDerWaalsContact CD1-CD1 3.47Å; Y151-L225 HydrophobicContact CD2-CD1 4.34Å; Y151-L225 HydrophobicContact CE1-CD1 4.26Å; Y151-L225 HydrophobicContact CG-CD1 3.54Å; Y151-L225 HydrophobicContact CG-CG 4.37Å
152	T	84.5	Confident	91.5	Very high	28 Å²	28	31.4 Å²	31.4	17%	0.172	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	132.2	-176.6	53	0	0	0	0	112	P148	P148-T152 WeakPolarHBondContact CA-O 3.01Å
153	P	87.6	Confident	90.8	Very high	54 Å²	54	29.4 Å²	29.4	35%	0.351	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	cis	-94.3	-15.5	7.8	34.9	-34.8	0	0	0	115	Y151 V155 G156 P458	Y151-P153 CarbonylContact O-C 3.09Å; P153-V155 VanDerWaalsContact C-N 3.33Å; P153-V155 PolarHBondContact O-N 3.11Å; P153-G156 PolarHBondContact O-N 3Å; P153-P458 HydrophobicContact CB-CB 4.33Å
154	T	91.7	Very high	90.1	Very high	9 Å²	9	34.3 Å²	34.3	6%	0.055	18%	0.182	C	C	.	.	H	α-helix	trans	-65.9	-31.9	-167.6	-53.2	0	0	0	0	113.4	P117 P148 I149 Y151 G156 L157 A158	P117-T154 HydrophobicContact CB-CG2 3.8Å; P117-T154 WeakPolarHBondContact O-CG2 3.47Å; P148-T154 WeakPolarHBondContact O-CB 3.38Å; P148-T154 PolarHBondContact O-N 2.88Å; P148-T154 PolarHBondContact O-OG1 3.19Å; I149-T154 WeakPolarHBondContact O-CB 3.43Å; Y151-T154 PolarHBondContact O-N 3.18Å; T154-G156 PolarHBondContact O-N 3.26Å; T154-L157 WeakPolarHBondContact O-CB 3.1Å; T154-L157 PolarHBondContact O-N 2.98Å; T154-L157 VanDerWaalsContact O-N 3.12Å; T154-A158 PolarHBondContact O-N 3.09Å
155	V	90.8	Very high	89.4	Confident	1 Å²	1	31 Å²	31	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-32.9	177.3	72	0	0	0	0	112.4	Y121 Y151 P153 A158 C159 G217 I218	Y121-V155 HydrophobicContact CE2-CG2 4.4Å; Y151-V155 HydrophobicContact CD2-CG1 4.05Å; Y151-V155 HydrophobicContact CE2-CG1 4.47Å; Y151-V155 WeakPolarHBondContact O-CG1 3.46Å; Y151-V155 PolarHBondContact O-N 2.95Å; P153-V155 VanDerWaalsContact C-N 3.33Å; P153-V155 PolarHBondContact O-N 3.11Å; V155-A158 CarbonylContact O-C 3.36Å; V155-A158 WeakPolarHBondContact O-CB 3.38Å; V155-A158 PolarHBondContact O-N 2.67Å; V155-C159 PolarHBondContact O-N 2.83Å; V155-C159 PolarHBondContact O-SG 2.98Å; V155-G217 VanDerWaalsContact CG2-O 3.31Å; V155-G217 WeakPolarHBondContact CG2-O 3.47Å; V155-I218 HydrophobicContact CB-CD1 4.5Å; V155-I218 HydrophobicContact CG1-CD1 3.7Å; V155-I218 HydrophobicContact CG2-CD1 4.07Å
156	G	88.6	Confident	88.8	Confident	9 Å²	9	31 Å²	31	9%	0.093	17%	0.169	C	C	.	.	H	α-helix	trans	-65.5	-43.1	176	0	0	0	0	0	111.8	P153 T154 A158 C159 Q160 L208	P153-G156 PolarHBondContact O-N 3Å; T154-G156 PolarHBondContact O-N 3.26Å; G156-A158 VanDerWaalsContact C-N 3.33Å; G156-A158 PolarHBondContact O-N 3.45Å; G156-C159 WeakPolarHBondContact O-CB 3.44Å; G156-C159 PolarHBondContact O-N 2.91Å; G156-Q160 PolarHBondContact O-N 2.72Å; G156-L208 VanDerWaalsContact CA-CD1 3.46Å; G156-L208 WeakPolarHBondContact O-CD1 3.35Å
157	L	89.6	Confident	87.9	Confident	59 Å²	59	40.2 Å²	40.2	31%	0.309	20%	0.204	S	C	.	.	H	α-helix	trans	-62.2	-41.8	172.8	176.5	62.8	0	0	0	111.3	L118 T154 C159 Q160 Q161	L118-L157 HydrophobicContact CB-CD2 4.24Å; T154-L157 WeakPolarHBondContact O-CB 3.1Å; T154-L157 PolarHBondContact O-N 2.98Å; T154-L157 VanDerWaalsContact O-N 3.12Å; L157-C159 VanDerWaalsContact C-N 3.29Å; L157-C159 PolarHBondContact O-N 2.89Å; L157-Q160 PolarHBondContact O-N 3.27Å; L157-Q161 PolarHBondContact O-N 3.41Å
158	A	91.1	Very high	87.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-35.5	175.1	0	0	0	0	0	112.2	L118 Y121 T154 V155 G156 Q161 Y162	L118-A158 HydrophobicContact CD1-CB 3.9Å; Y121-A158 HydrophobicContact CD1-CB 3.59Å; Y121-A158 HydrophobicContact CD2-CB 4.4Å; Y121-A158 HydrophobicContact CE1-CB 3.36Å; Y121-A158 HydrophobicContact CE2-CB 4.2Å; Y121-A158 HydrophobicContact CG-CB 4.11Å; T154-A158 PolarHBondContact O-N 3.09Å; V155-A158 CarbonylContact O-C 3.36Å; V155-A158 WeakPolarHBondContact O-CB 3.38Å; V155-A158 PolarHBondContact O-N 2.67Å; G156-A158 VanDerWaalsContact C-N 3.33Å; G156-A158 PolarHBondContact O-N 3.45Å; A158-Q161 CarbonylContact O-C 3.58Å; A158-Q161 PolarHBondContact O-N 2.86Å; A158-Y162 WeakPolarHBondContact O-CA 3.43Å; A158-Y162 PolarHBondContact O-N 2.65Å
159	C	92.3	Very high	87	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-46.4	172.6	-65.7	0	0	0	0	110.9	V155 G156 L157 Q161 Y162 L211 Y214	V155-C159 PolarHBondContact O-N 2.83Å; V155-C159 PolarHBondContact O-SG 2.98Å; G156-C159 WeakPolarHBondContact O-CB 3.44Å; G156-C159 PolarHBondContact O-N 2.91Å; L157-C159 VanDerWaalsContact C-N 3.29Å; L157-C159 PolarHBondContact O-N 2.89Å; C159-Q161 PolarHBondContact O-N 3.01Å; C159-Y162 VanDerWaalsContact O-CB 3.27Å; C159-Y162 WeakPolarHBondContact O-CB 3.36Å; C159-Y162 PolarHBondContact O-N 3.48Å; C159-L211 HydrophobicContact CB-CD1 3.68Å; C159-Y214 WeakPolarHBondContact CB-O 3.42Å; C159-Y214 VanDerWaalsContact O-CB 3.25Å; C159-Y214 WeakPolarHBondContact O-CB 3.42Å; C159-Y214 WeakPolarHBondContact O-CD2 3.22Å; C159-Y214 PolarHBondContact SG-O 3Å
160	Q	90.6	Very high	86.7	Confident	95 Å²	95	49.9 Å²	49.9	44%	0.444	25%	0.246	S	C	.	.	H	α-helix	trans	-58	-27.9	177	-68.4	-178.5	-57.1	0	0	113.4	G156 L157 L208 L211	G156-Q160 PolarHBondContact O-N 2.72Å; L157-Q160 PolarHBondContact O-N 3.27Å; Q160-L208 HydrophobicContact CG-CD1 4.07Å; Q160-L211 HydrophobicContact CG-CD1 4.14Å; Q160-L211 HydrophobicContact CG-CD2 4.37Å
161	Q	89.3	Confident	86.7	Confident	78 Å²	78	50.5 Å²	50.5	36%	0.364	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	20.7	178.4	-57.5	-170.3	-1.8	0	0	112.7	L157 A158 C159 G163 L164 A165	L157-Q161 PolarHBondContact O-N 3.41Å; A158-Q161 CarbonylContact O-C 3.58Å; A158-Q161 PolarHBondContact O-N 2.86Å; C159-Q161 PolarHBondContact O-N 3.01Å; Q161-G163 VanDerWaalsContact C-N 3.35Å; Q161-G163 PolarHBondContact O-N 3.02Å; Q161-L164 WeakPolarHBondContact O-CB 3.39Å; Q161-L164 PolarHBondContact O-N 3.33Å; Q161-A165 WeakPolarHBondContact O-CB 3.43Å; Q161-A165 PolarHBondContact O-N 3.36Å
162	Y	86.8	Confident	87.1	Confident	20 Å²	20	50.8 Å²	50.8	8%	0.078	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-40.5	-167	-159.2	-96.7	0	0	0	112.5	A158 C159 L164 A165 F166 Y214 M216 I258	A158-Y162 WeakPolarHBondContact O-CA 3.43Å; A158-Y162 PolarHBondContact O-N 2.65Å; C159-Y162 VanDerWaalsContact O-CB 3.27Å; C159-Y162 WeakPolarHBondContact O-CB 3.36Å; C159-Y162 PolarHBondContact O-N 3.48Å; Y162-L164 VanDerWaalsContact C-N 3.27Å; Y162-L164 PolarHBondContact O-N 2.72Å; Y162-A165 CarbonylContact O-C 3.55Å; Y162-A165 PolarHBondContact O-N 2.83Å; Y162-F166 HydrophobicContact CD1-CD2 4.31Å; Y162-F166 AromaticContact CE1-CD2 3.82Å; Y162-F166 HydrophobicContact CE1-CD2 3.82Å; Y162-F166 HydrophobicContact CE1-CE2 4.37Å; Y162-F166 WeakPolarHBondContact O-CA 3.32Å; Y162-F166 VanDerWaalsContact O-CB 3.32Å; Y162-F166 WeakPolarHBondContact O-CB 3Å; Y162-F166 PolarHBondContact O-N 2.69Å; Y162-Y214 HydrophobicContact CD1-CD1 4.42Å; Y162-M216 HydrophobicContact CE1-CB 4.19Å; Y162-M216 WeakPolarHBondContact OH-CG 3.35Å; Y162-I258 HydrophobicContact CD1-CD1 3.81Å; Y162-I258 HydrophobicContact CE1-CD1 4.14Å
163	G	80.9	Confident	87.7	Confident	17 Å²	17	52 Å²	52	18%	0.175	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-34.8	176.2	0	0	0	0	0	113.3	Q161 Y214	Q161-G163 VanDerWaalsContact C-N 3.35Å; Q161-G163 PolarHBondContact O-N 3.02Å; G163-Y214 VanDerWaalsContact CA-CE1 3.44Å; G163-Y214 WeakPolarHBondContact CA-OH 3.33Å; G163-Y214 VanDerWaalsContact N-CZ 3.32Å
164	L	80.9	Confident	88.2	Confident	119 Å²	119	49.4 Å²	49.4	62%	0.623	24%	0.241	S	C	*	.	H	α-helix	trans	-76	-38.2	174.6	-68.6	169.7	0	0	0	112.4	Q161 Y162 F166 L256	Q161-L164 WeakPolarHBondContact O-CB 3.39Å; Q161-L164 PolarHBondContact O-N 3.33Å; Y162-L164 VanDerWaalsContact C-N 3.27Å; Y162-L164 PolarHBondContact O-N 2.72Å; L164-F166 VanDerWaalsContact C-N 3.31Å; L164-L256 HydrophobicContact CD2-CD1 3.51Å; L164-L256 HydrophobicContact CG-CD1 4.26Å
165	A	77.3	Confident	88.6	Confident	22 Å²	22	50.3 Å²	50.3	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-82.5	-7.6	-179.4	0	0	0	0	0	113.2	Q161 Y162 R167	Q161-A165 WeakPolarHBondContact O-CB 3.43Å; Q161-A165 PolarHBondContact O-N 3.36Å; Y162-A165 CarbonylContact O-C 3.55Å; Y162-A165 PolarHBondContact O-N 2.83Å; A165-R167 WeakPolarHBondContact O-CG 3.2Å; A165-R167 PolarHBondContact O-N 2.83Å
166	F	80.8	Confident	88.9	Confident	78 Å²	78	50.6 Å²	50.6	34%	0.342	25%	0.247	S	C	.	.			trans	-62.8	122.8	-176.1	-170.6	-99	0	0	0	110.7	Y162 L164 P169 I258	Y162-F166 HydrophobicContact CD1-CD2 4.31Å; Y162-F166 AromaticContact CE1-CD2 3.82Å; Y162-F166 HydrophobicContact CE1-CD2 3.82Å; Y162-F166 HydrophobicContact CE1-CE2 4.37Å; Y162-F166 WeakPolarHBondContact O-CA 3.32Å; Y162-F166 VanDerWaalsContact O-CB 3.32Å; Y162-F166 WeakPolarHBondContact O-CB 3Å; Y162-F166 PolarHBondContact O-N 2.69Å; L164-F166 VanDerWaalsContact C-N 3.31Å; F166-P169 HydrophobicContact CE2-CB 4.35Å; F166-P169 HydrophobicContact CZ-CB 3.92Å; F166-I258 HydrophobicContact CD2-CD1 4.13Å; F166-I258 HydrophobicContact CE2-CD1 4.45Å
167	R	76.8	Confident	89.4	Confident	193 Å²	193	56 Å²	56	73%	0.728	27%	0.27	S	S	*	.			trans	-126.6	-83.4	-177.1	-68.2	-81.3	-172.9	-145.9	-3.5	109.6	A165	A165-R167 WeakPolarHBondContact O-CG 3.2Å; A165-R167 PolarHBondContact O-N 2.83Å
168	R	83.8	Confident	89.8	Confident	119 Å²	119	55.1 Å²	55.1	45%	0.449	27%	0.266	S	S	.	.	S	Bend	trans	-105.9	128	176.4	-164.4	176.2	-175.1	171.9	-0.2	107.8	D129 R170	D129-R168 PolarHBondContact O-NH1 3.1Å; D129-R168 WeakPolarHBondContact OD2-CB 3.25Å; R168-R170 PolarHBondContact O-N 3.31Å
169	P	83.6	Confident	90.1	Very high	86 Å²	86	59.3 Å²	59.3	56%	0.558	28%	0.282	S	S	*	.			trans	-62	135.1	177.5	23.4	-31.4	0	0	0	110.2	F166	F166-P169 HydrophobicContact CE2-CB 4.35Å; F166-P169 HydrophobicContact CZ-CB 3.92Å
170	R	88.9	Confident	90.4	Very high	48 Å²	48	62 Å²	62	18%	0.181	31%	0.31	C	S	.	.			trans	-126.8	130.1	172.7	-81.9	-89.3	179.9	-172.5	2.1	107.6	Q128 D129 R168 V220	Q128-R170 PolarHBondContact O-NH2 3.35Å; D129-R170 VanDerWaalsContact CA-NH2 3.31Å; D129-R170 IonicContact OD1-CZ 2.92Å; D129-R170 IonicContact OD1-NE 3.98Å; D129-R170 PolarHBondContact OD1-NE 3.24Å; D129-R170 IonicContact OD1-NH2 2.65Å; D129-R170 PolarHBondContact OD1-NH2 2.97Å; R168-R170 PolarHBondContact O-N 3.31Å; R170-V220 HydrophobicContact CB-CG2 3.92Å
171	G	94.9	Very high	90.8	Very high	13 Å²	13	63 Å²	63	13%	0.134	31%	0.314	C	S	.	.	S	Bend	trans	88.5	179.6	-177.4	0	0	0	0	0	113.7	P239	G171-P239 CarbonylContact C-O 3.33Å; G171-P239 WeakPolarHBondContact CA-O 3.39Å
172	L	97.8	Very high	91.2	Very high	18 Å²	18	59.2 Å²	59.2	9%	0.094	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.5	-177.9	-171.6	68.8	0	0	0	109.6	I174 L186 M216 L238 P239 V240 L241	L172-I174 HydrophobicContact CD2-CD1 4.03Å; L172-I174 HydrophobicContact CD2-CG1 4.07Å; L172-I174 HydrophobicContact CG-CG1 4.12Å; L172-L186 HydrophobicContact CD2-CD2 3.7Å; L172-M216 WeakPolarHBondContact O-CE 3.3Å; L172-L238 HydrophobicContact CB-CD1 4.08Å; L172-P239 PolarHBondContact N-O 2.68Å; L172-V240 HydrophobicContact CB-CG2 4.48Å; L172-V240 WeakPolarHBondContact O-CA 3.49Å; L172-L241 PolarHBondContact O-N 2.89Å
173	F	98.1	Very high	91.7	Very high	54 Å²	54	61 Å²	61	24%	0.237	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.7	174.8	-62.2	-100.2	0	0	0	107.4	M185 M216 L241	F173-M185 WeakPolarHBondContact O-CE 3.49Å; F173-M216 HydrophobicContact CD1-CE 3.92Å; F173-M216 HydrophobicContact CD2-CE 3.86Å; F173-M216 HydrophobicContact CE1-CB 3.86Å; F173-M216 HydrophobicContact CE1-CE 3.74Å; F173-M216 HydrophobicContact CE1-CG 4.06Å; F173-M216 HydrophobicContact CE2-CE 3.66Å; F173-M216 HydrophobicContact CE2-CG 4.36Å; F173-M216 HydrophobicContact CG-CE 3.98Å; F173-M216 HydrophobicContact CZ-CB 3.91Å; F173-M216 HydrophobicContact CZ-CE 3.6Å; F173-M216 HydrophobicContact CZ-CG 3.65Å; F173-L241 HydrophobicContact CD1-CB 4.29Å; F173-L241 HydrophobicContact CD1-CD2 3.88Å; F173-L241 HydrophobicContact CE1-CD2 4.35Å
174	I	98.7	Very high	92.5	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128	176.7	-60.7	169.3	0	0	0	106.6	L172 D178 I182 M185 V240 L241 L242 D243 L273 F277	L172-I174 HydrophobicContact CD2-CD1 4.03Å; L172-I174 HydrophobicContact CD2-CG1 4.07Å; L172-I174 HydrophobicContact CG-CG1 4.12Å; I174-D178 HydrophobicContact CG2-CB 4.43Å; I174-I182 HydrophobicContact CD1-CG2 3.98Å; I174-I182 HydrophobicContact CG2-CD1 3.96Å; I174-I182 HydrophobicContact CG2-CG1 3.82Å; I174-M185 HydrophobicContact CB-SD 4.16Å; I174-M185 HydrophobicContact CG1-CE 4.38Å; I174-M185 HydrophobicContact CG1-SD 3.93Å; I174-M185 HydrophobicContact CG2-SD 3.94Å; I174-V240 HydrophobicContact CD1-CG1 3.9Å; I174-V240 HydrophobicContact CG1-CG1 4.44Å; I174-L241 PolarHBondContact N-O 3.27Å; I174-L242 HydrophobicContact CB-CD2 3.83Å; I174-L242 HydrophobicContact CD1-CD2 4.19Å; I174-L242 HydrophobicContact CG2-CD2 4.21Å; I174-L242 CarbonylContact O-C 3.53Å; I174-L242 VanDerWaalsContact O-CA 3.28Å; I174-L242 WeakPolarHBondContact O-CA 3.36Å; I174-D243 PolarHBondContact O-N 2.84Å; I174-L273 HydrophobicContact CG2-CD1 4.43Å; I174-F277 HydrophobicContact CD1-CD2 3.76Å; I174-F277 HydrophobicContact CD1-CE2 3.96Å
175	T	98.8	Very high	93.3	Very high	28 Å²	28	60.6 Å²	60.6	17%	0.172	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	163.1	-177	76.8	0	0	0	0	111.8	H177 D178 D243	T175-H177 PolarHBondContact O-N 2.9Å; T175-H177 VanDerWaalsContact O-N 3.15Å; T175-H177 PolarHBondContact OG1-N 3.46Å; T175-D178 WeakPolarHBondContact CA-OD2 3.23Å; T175-D178 VanDerWaalsContact CB-OD2 3.29Å; T175-D178 WeakPolarHBondContact CB-OD2 3.18Å; T175-D178 PolarHBondContact N-OD2 3.12Å; T175-D178 WeakPolarHBondContact O-CB 3.46Å; T175-D178 PolarHBondContact O-N 3.28Å; T175-D178 PolarHBondContact OG1-N 2.88Å; T175-D178 PolarHBondContact OG1-OD2 3.08Å; T175-D243 CarbonylContact C-O 3.24Å; T175-D243 VanDerWaalsContact CA-O 3.23Å; T175-D243 WeakPolarHBondContact CA-O 3.28Å; T175-D243 HydrophobicContact CG2-CB 4.36Å
176	I	98.5	Very high	94.3	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.031	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-58.1	-23	169.4	-167.2	56.7	0	0	0	113.5	D178 D243 V244 L260 I265 E269 L273	I176-D178 VanDerWaalsContact C-N 3.33Å; I176-D243 PolarHBondContact N-O 3.09Å; I176-V244 HydrophobicContact CB-CB 4.37Å; I176-V244 HydrophobicContact CB-CG1 4.16Å; I176-V244 HydrophobicContact CD1-CG1 4.49Å; I176-L260 HydrophobicContact CG2-CD1 3.87Å; I176-I265 HydrophobicContact CB-CD1 4.36Å; I176-I265 HydrophobicContact CD1-CG2 4.31Å; I176-I265 HydrophobicContact CG1-CB 4.15Å; I176-I265 HydrophobicContact CG1-CD1 3.75Å; I176-I265 HydrophobicContact CG1-CG1 4.48Å; I176-I265 HydrophobicContact CG1-CG2 4.06Å; I176-I265 HydrophobicContact CG2-CD1 3.78Å; I176-E269 HydrophobicContact CD1-CB 4.46Å; I176-L273 HydrophobicContact CD1-CB 3.96Å; I176-L273 HydrophobicContact CD1-CD2 3.98Å; I176-L273 HydrophobicContact CD1-CG 4.41Å
177	H	98.3	Very high	95.1	Very high	123 Å²	123	61.1 Å²	61.1	57%	0.569	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-82.2	-11.6	177.6	-57.9	-51.1	0	0	0	113.3	T175 R179 H262	T175-H177 PolarHBondContact O-N 2.9Å; T175-H177 VanDerWaalsContact O-N 3.15Å; T175-H177 PolarHBondContact OG1-N 3.46Å; H177-R179 VanDerWaalsContact C-N 3.31Å; H177-H262 AromaticContact NE2-NE2 3.63Å
178	D	98.4	Very high	96.1	Very high	41 Å²	41	56.6 Å²	56.6	22%	0.219	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-89.6	3.5	176.5	-58.9	-59.5	0	0	0	113	I174 T175 I176 G180 H181 M185	I174-D178 HydrophobicContact CG2-CB 4.43Å; T175-D178 WeakPolarHBondContact CA-OD2 3.23Å; T175-D178 VanDerWaalsContact CB-OD2 3.29Å; T175-D178 WeakPolarHBondContact CB-OD2 3.18Å; T175-D178 PolarHBondContact N-OD2 3.12Å; T175-D178 WeakPolarHBondContact O-CB 3.46Å; T175-D178 PolarHBondContact O-N 3.28Å; T175-D178 PolarHBondContact OG1-N 2.88Å; T175-D178 PolarHBondContact OG1-OD2 3.08Å; I176-D178 VanDerWaalsContact C-N 3.33Å; D178-G180 PolarHBondContact O-N 2.82Å; D178-H181 WeakPolarHBondContact O-CA 3.46Å; D178-H181 WeakPolarHBondContact O-CB 3.31Å; D178-H181 PolarHBondContact O-N 2.99Å; D178-M185 HydrophobicContact CB-CE 4.31Å; D178-M185 HydrophobicContact CB-CG 4.48Å; D178-M185 HydrophobicContact CB-SD 3.34Å; D178-M185 WeakPolarHBondContact CB-SD 3.47Å; D178-M185 WeakPolarHBondContact OD2-CE 3.4Å
179	R	97.1	Very high	96.7	Very high	88 Å²	88	53.2 Å²	53.2	33%	0.332	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	125.1	175.3	-174.6	-178.7	56.1	-171.5	-16.5	110.2	H177 E272 L273 E276	H177-R179 VanDerWaalsContact C-N 3.31Å; R179-E272 IonicContact CZ-OE2 2.61Å; R179-E272 IonicContact NH1-OE2 2.57Å; R179-E272 PolarHBondContact NH1-OE2 2.81Å; R179-L273 HydrophobicContact CB-CD1 4.23Å; R179-E276 VanDerWaalsContact CA-OE2 3.25Å; R179-E276 WeakPolarHBondContact CA-OE2 3.35Å; R179-E276 WeakPolarHBondContact CG-OE2 3.5Å
180	G	98.1	Very high	97.2	Very high	57 Å²	57	53.7 Å²	53.7	59%	0.588	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.4	-5.9	-171.7	0	0	0	0	0	113.9	D178 E276	D178-G180 PolarHBondContact O-N 2.82Å; G180-E276 VanDerWaalsContact C-OE1 3.27Å; G180-E276 VanDerWaalsContact CA-OE1 3.31Å; G180-E276 WeakPolarHBondContact CA-OE1 3.5Å; G180-E276 PolarHBondContact N-OE1 3.25Å; G180-E276 PolarHBondContact N-OE2 3.11Å
181	H	98.4	Very high	97.5	Very high	114 Å²	114	54.3 Å²	54.3	53%	0.528	31%	0.308	S	S	.	.			trans	-134.3	8	-170.8	-57.7	-59.7	0	0	0	114.3	D178 A183 T184 M185 E276	D178-H181 WeakPolarHBondContact O-CA 3.46Å; D178-H181 WeakPolarHBondContact O-CB 3.31Å; D178-H181 PolarHBondContact O-N 2.99Å; H181-A183 VanDerWaalsContact C-N 3.27Å; H181-A183 PolarHBondContact O-N 2.65Å; H181-T184 WeakPolarHBondContact O-CA 3.46Å; H181-T184 VanDerWaalsContact O-CB 3.31Å; H181-T184 WeakPolarHBondContact O-CB 3.38Å; H181-T184 PolarHBondContact O-N 3.14Å; H181-M185 PolarHBondContact O-N 3.06Å; H181-E276 PolarHBondContact N-OE1 3.39Å
182	I	98.6	Very high	97.5	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-58.3	-39.5	-177	-64.2	179.8	0	0	0	111.7	I174 T184 M185 L186 L273 E276 F277 A280	I174-I182 HydrophobicContact CD1-CG2 3.98Å; I174-I182 HydrophobicContact CG2-CD1 3.96Å; I174-I182 HydrophobicContact CG2-CG1 3.82Å; I182-T184 PolarHBondContact O-N 3.25Å; I182-M185 WeakPolarHBondContact O-CB 3.42Å; I182-M185 PolarHBondContact O-N 2.92Å; I182-L186 HydrophobicContact CG2-CD1 4.32Å; I182-L186 HydrophobicContact CG2-CG 4.23Å; I182-L186 WeakPolarHBondContact O-CG 3.38Å; I182-L186 PolarHBondContact O-N 2.84Å; I182-L273 HydrophobicContact CD1-CD1 3.91Å; I182-E276 HydrophobicContact CB-CG 4.26Å; I182-E276 WeakPolarHBondContact CB-OE1 3.27Å; I182-E276 HydrophobicContact CD1-CB 3.99Å; I182-E276 HydrophobicContact CD1-CG 3.84Å; I182-E276 HydrophobicContact CG1-CG 4.18Å; I182-E276 WeakPolarHBondContact CG1-OE1 3.08Å; I182-E276 PolarHBondContact N-OE1 3.01Å; I182-F277 HydrophobicContact CD1-CB 3.92Å; I182-A280 HydrophobicContact CB-CB 4.08Å; I182-A280 HydrophobicContact CG2-CB 3.72Å
183	A	97.9	Very high	97.4	Very high	56 Å²	56	62.8 Å²	62.8	46%	0.463	35%	0.351	S	S	.	.	H	α-helix	trans	-56.5	-38.1	176.8	0	0	0	0	0	112.5	H181 N187 A280	H181-A183 VanDerWaalsContact C-N 3.27Å; H181-A183 PolarHBondContact O-N 2.65Å; A183-N187 PolarHBondContact O-N 2.78Å; A183-N187 PolarHBondContact O-ND2 3.1Å; A183-A280 HydrophobicContact CB-CB 4.43Å
184	T	97.9	Very high	97.4	Very high	93 Å²	93	60.2 Å²	60.2	57%	0.571	34%	0.34	S	S	*	.	H	α-helix	trans	-67.4	-42.2	174.6	-56.8	0	0	0	0	111.1	H181 I182 L186 N187	H181-T184 WeakPolarHBondContact O-CA 3.46Å; H181-T184 VanDerWaalsContact O-CB 3.31Å; H181-T184 WeakPolarHBondContact O-CB 3.38Å; H181-T184 PolarHBondContact O-N 3.14Å; I182-T184 PolarHBondContact O-N 3.25Å; T184-L186 VanDerWaalsContact C-N 3.32Å; T184-L186 PolarHBondContact O-N 3.49Å; T184-N187 WeakPolarHBondContact O-CB 3.4Å; T184-N187 PolarHBondContact O-N 2.71Å; T184-N187 VanDerWaalsContact O-N 3.11Å
185	M	97.5	Very high	97.4	Very high	35 Å²	35	63.5 Å²	63.5	17%	0.172	35%	0.354	C	S	.	.	H	α-helix	trans	-61.4	-42.3	178.4	-58.2	-170.1	84.2	0	0	111.9	F173 I174 D178 H181 I182 N187 S188	F173-M185 WeakPolarHBondContact O-CE 3.49Å; I174-M185 HydrophobicContact CB-SD 4.16Å; I174-M185 HydrophobicContact CG1-CE 4.38Å; I174-M185 HydrophobicContact CG1-SD 3.93Å; I174-M185 HydrophobicContact CG2-SD 3.94Å; D178-M185 HydrophobicContact CB-CE 4.31Å; D178-M185 HydrophobicContact CB-CG 4.48Å; D178-M185 HydrophobicContact CB-SD 3.34Å; D178-M185 WeakPolarHBondContact CB-SD 3.47Å; D178-M185 WeakPolarHBondContact OD2-CE 3.4Å; H181-M185 PolarHBondContact O-N 3.06Å; I182-M185 WeakPolarHBondContact O-CB 3.42Å; I182-M185 PolarHBondContact O-N 2.92Å; M185-N187 PolarHBondContact O-N 3.02Å; M185-S188 VanDerWaalsContact O-CB 3.29Å; M185-S188 WeakPolarHBondContact O-CB 3.47Å; M185-S188 PolarHBondContact O-N 2.97Å; M185-S188 PolarHBondContact O-OG 3.3Å
186	L	98	Very high	97.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-60.3	-26.9	177.6	-64.9	175.5	0	0	0	112.1	L172 I182 T184 S188 W189 L238 A280 V281 K284 Y285	L172-L186 HydrophobicContact CD2-CD2 3.7Å; I182-L186 HydrophobicContact CG2-CD1 4.32Å; I182-L186 HydrophobicContact CG2-CG 4.23Å; I182-L186 WeakPolarHBondContact O-CG 3.38Å; I182-L186 PolarHBondContact O-N 2.84Å; T184-L186 VanDerWaalsContact C-N 3.32Å; T184-L186 PolarHBondContact O-N 3.49Å; L186-S188 PolarHBondContact O-N 3.11Å; L186-W189 PolarHBondContact O-N 2.91Å; L186-L238 HydrophobicContact CD2-CD2 4.45Å; L186-A280 HydrophobicContact CD1-CB 3.94Å; L186-A280 WeakPolarHBondContact CD1-O 3.27Å; L186-V281 HydrophobicContact CD1-CG2 4.24Å; L186-V281 HydrophobicContact CD2-CG2 4.42Å; L186-K284 HydrophobicContact CB-CD 3.64Å; L186-K284 HydrophobicContact CD1-CB 4.33Å; L186-K284 HydrophobicContact CD1-CD 4.39Å; L186-K284 PolarHBondContact O-NZ 3.46Å; L186-Y285 HydrophobicContact CD2-CE2 4.2Å
187	N	97.3	Very high	97.4	Very high	112 Å²	112	61.9 Å²	61.9	60%	0.599	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-13.4	174.6	-64.8	-27	0	0	0	114.4	A183 T184 M185 W189 K284	A183-N187 PolarHBondContact O-N 2.78Å; A183-N187 PolarHBondContact O-ND2 3.1Å; T184-N187 WeakPolarHBondContact O-CB 3.4Å; T184-N187 PolarHBondContact O-N 2.71Å; T184-N187 VanDerWaalsContact O-N 3.11Å; M185-N187 PolarHBondContact O-N 3.02Å; N187-W189 VanDerWaalsContact C-N 3.3Å; N187-K284 VanDerWaalsContact CA-NZ 3.31Å; N187-K284 PolarHBondContact OD1-NZ 3.45Å
188	S	97.1	Very high	97.5	Very high	97 Å²	97	56 Å²	56	68%	0.678	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-14.5	172.4	-56.5	0	0	0	0	112.9	M185 L186	M185-S188 VanDerWaalsContact O-CB 3.29Å; M185-S188 WeakPolarHBondContact O-CB 3.47Å; M185-S188 PolarHBondContact O-N 2.97Å; M185-S188 PolarHBondContact O-OG 3.3Å; L186-S188 PolarHBondContact O-N 3.11Å
189	W	96.9	Very high	97.5	Very high	49 Å²	49	54 Å²	54	19%	0.186	31%	0.307	C	S	.	.	S	Bend	trans	-75.8	132.3	176.2	-167.2	-109.5	0	0	0	110.5	L186 N187 E191 L238	L186-W189 PolarHBondContact O-N 2.91Å; N187-W189 VanDerWaalsContact C-N 3.3Å; W189-E191 VanDerWaalsContact C-N 3.31Å; W189-E191 PolarHBondContact O-N 2.85Å; W189-L238 HydrophobicContact CD2-CD1 3.54Å; W189-L238 HydrophobicContact CE3-CD1 3.72Å; W189-L238 HydrophobicContact CG-CD1 4.06Å; W189-L238 HydrophobicContact CH2-CD1 4.05Å; W189-L238 HydrophobicContact CZ2-CD1 3.89Å; W189-L238 HydrophobicContact CZ3-CD1 3.98Å
190	P	93.9	Very high	97.6	Very high	96 Å²	96	49.9 Å²	49.9	62%	0.623	29%	0.291	S	S	*	.	S	Bend	trans	-76.8	-12.3	-170.6	30	-36.8	0	0	0	114.9
191	E	95.3	Very high	97.6	Very high	60 Å²	60	47.2 Å²	47.2	28%	0.28	26%	0.263	S	S	.	.			trans	-107.6	124.6	-177.9	-59.5	-62.2	151	0	0	110.6	W189 I194 Q235	W189-E191 VanDerWaalsContact C-N 3.31Å; W189-E191 PolarHBondContact O-N 2.85Å; E191-I194 HydrophobicContact CB-CD1 3.96Å; E191-Q235 HydrophobicContact CG-CB 4.39Å
192	D	94.6	Very high	97.5	Very high	131 Å²	131	41.8 Å²	41.8	70%	0.701	24%	0.238	S	C	*	.	S	Bend	trans	-84.3	-24.1	-179.4	-65.5	-48.1	0	0	0	113.1	I194 Y285	D192-I194 PolarHBondContact O-N 3.09Å; D192-Y285 WeakPolarHBondContact O-CD1 3.29Å
193	N	96.3	Very high	97.5	Very high	79 Å²	79	43.2 Å²	43.2	42%	0.422	25%	0.245	S	C	.	.			trans	-100.8	67.5	-174.7	-175.8	32.5	0	0	0	112	K195 Q236	N193-K195 WeakPolarHBondContact OD1-CE 3.44Å; N193-K195 PolarHBondContact OD1-NZ 3.17Å; N193-Q236 WeakPolarHBondContact O-CA 3.41Å; N193-Q236 WeakPolarHBondContact O-CG 3.41Å
194	I	98.5	Very high	97.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.			trans	-82.9	134.6	173.7	-57.9	-53.3	0	0	0	110.5	E191 D192 I197 L238 Y285	E191-I194 HydrophobicContact CB-CD1 3.96Å; D192-I194 PolarHBondContact O-N 3.09Å; I194-I197 HydrophobicContact CG2-CD1 4.25Å; I194-I197 HydrophobicContact CG2-CG1 3.79Å; I194-L238 HydrophobicContact CD1-CB 4.08Å; I194-L238 HydrophobicContact CG1-CB 4.21Å; I194-L238 HydrophobicContact CG1-CD2 4.41Å; I194-L238 HydrophobicContact CG2-CB 3.8Å; I194-L238 HydrophobicContact CG2-CD2 4.45Å; I194-Y285 HydrophobicContact CB-CD1 3.69Å; I194-Y285 HydrophobicContact CB-CD2 4Å; I194-Y285 HydrophobicContact CB-CE1 3.81Å; I194-Y285 HydrophobicContact CB-CE2 4.12Å; I194-Y285 HydrophobicContact CB-CG 3.79Å; I194-Y285 HydrophobicContact CG1-CD1 3.99Å; I194-Y285 HydrophobicContact CG1-CE1 3.56Å; I194-Y285 HydrophobicContact CG1-CE2 4.14Å; I194-Y285 HydrophobicContact CG1-CG 4.44Å; I194-Y285 HydrophobicContact CG2-CD2 4.32Å; I194-Y285 HydrophobicContact CG2-CE2 4.47Å; I194-Y285 HydrophobicContact CG2-CG 4.49Å
195	K	98.5	Very high	97.1	Very high	68 Å²	68	39.6 Å²	39.6	30%	0.296	21%	0.209	S	C	.	.			trans	-122	-23.3	177.3	-60.7	-59.2	-175.3	-143.4	0	113.2	N193 Q236 L290 I515	N193-K195 WeakPolarHBondContact OD1-CE 3.44Å; N193-K195 PolarHBondContact OD1-NZ 3.17Å; K195-Q236 HydrophobicContact CB-CB 4.04Å; K195-Q236 HydrophobicContact CG-CB 4.06Å; K195-Q236 HydrophobicContact CG-CG 4.21Å; K195-Q236 PolarHBondContact N-O 2.88Å; K195-L290 WeakPolarHBondContact O-CB 3.49Å; K195-L290 PolarHBondContact O-N 3.5Å; K195-I515 HydrophobicContact CB-CD1 4.28Å; K195-I515 HydrophobicContact CB-CG1 4.26Å; K195-I515 HydrophobicContact CB-CG2 3.77Å; K195-I515 HydrophobicContact CG-CG2 4.1Å
196	A	98.8	Very high	96.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.9	-179.8	0	0	0	0	0	111.2	L223 Y226 Q236 C237 L238 L290 I515	A196-L223 HydrophobicContact CB-CD2 4.45Å; A196-Y226 HydrophobicContact CB-CD1 4.11Å; A196-Y226 HydrophobicContact CB-CE1 3.94Å; A196-Q236 PolarHBondContact N-O 3.28Å; A196-C237 CarbonylContact O-C 3.31Å; A196-C237 WeakPolarHBondContact O-CA 3.47Å; A196-L238 PolarHBondContact O-N 2.92Å; A196-L290 CarbonylContact C-O 3.53Å; A196-L290 WeakPolarHBondContact CA-O 3.28Å; A196-I515 HydrophobicContact CB-CD1 3.89Å
197	I	98.9	Very high	95.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.1	171.9	-65.5	179.2	0	0	0	108	I194 V199 L238 V240 F277 V281 Y285 L290 Q292	I194-I197 HydrophobicContact CG2-CD1 4.25Å; I194-I197 HydrophobicContact CG2-CG1 3.79Å; I197-V199 HydrophobicContact CG2-CB 4.33Å; I197-L238 WeakPolarHBondContact CA-O 3.39Å; I197-L238 HydrophobicContact CD1-CD2 4Å; I197-L238 HydrophobicContact CD1-CG 4.49Å; I197-L238 HydrophobicContact CG1-CB 4.02Å; I197-L238 HydrophobicContact CG1-CD2 4.24Å; I197-L238 HydrophobicContact CG1-CG 4.25Å; I197-V240 HydrophobicContact CG2-CB 4.29Å; I197-V240 HydrophobicContact CG2-CG2 3.75Å; I197-F277 HydrophobicContact CG2-CZ 4.18Å; I197-V281 HydrophobicContact CD1-CB 4.32Å; I197-V281 HydrophobicContact CD1-CG1 3.48Å; I197-V281 VanDerWaalsContact CD1-CG1 3.48Å; I197-V281 HydrophobicContact CD1-CG2 3.81Å; I197-Y285 HydrophobicContact CD1-CD2 4.4Å; I197-L290 PolarHBondContact N-O 3.26Å; I197-Q292 PolarHBondContact O-N 3.46Å
198	V	98.9	Very high	95	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.8	162.6	178.6	0	0	0	0	106.5	P219 K222 L223 Y226 L238 V240 Q292 E294	V198-P219 HydrophobicContact CB-CB 4.19Å; V198-P219 HydrophobicContact CG1-CB 4.04Å; V198-P219 HydrophobicContact CG1-CG 4.35Å; V198-K222 HydrophobicContact CG1-CB 4.23Å; V198-K222 HydrophobicContact CG1-CD 4.39Å; V198-K222 HydrophobicContact CG2-CB 4.19Å; V198-L223 HydrophobicContact CB-CD1 4.37Å; V198-L223 HydrophobicContact CB-CD2 4.37Å; V198-L223 HydrophobicContact CB-CG 4.13Å; V198-L223 HydrophobicContact CG2-CD1 4.44Å; V198-L223 HydrophobicContact CG2-CD2 3.58Å; V198-L223 HydrophobicContact CG2-CG 3.76Å; V198-Y226 HydrophobicContact CG2-CE2 4.09Å; V198-L238 PolarHBondContact N-O 2.91Å; V198-V240 PolarHBondContact O-N 3.32Å; V198-Q292 WeakPolarHBondContact CA-O 3.42Å; V198-Q292 HydrophobicContact CG2-CB 4.19Å; V198-E294 HydrophobicContact CG1-CB 3.97Å
199	V	98.9	Very high	94.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.1	-177.4	62.4	0	0	0	0	110.4	I197 V240 L242 F277 I291 Q292 F293 E294 F296	I197-V199 HydrophobicContact CG2-CB 4.33Å; V199-V240 WeakPolarHBondContact CA-O 3.37Å; V199-V240 HydrophobicContact CB-CB 4.16Å; V199-V240 HydrophobicContact CG2-CB 4.01Å; V199-V240 HydrophobicContact CG2-CG1 3.91Å; V199-L242 HydrophobicContact CG2-CD1 3.83Å; V199-L242 HydrophobicContact CG2-CD2 4.21Å; V199-L242 HydrophobicContact CG2-CG 3.64Å; V199-F277 HydrophobicContact CB-CE1 4.23Å; V199-F277 HydrophobicContact CB-CZ 4.08Å; V199-F277 HydrophobicContact CG1-CE1 4.03Å; V199-F277 HydrophobicContact CG1-CZ 4.36Å; V199-F277 HydrophobicContact CG2-CE1 4.08Å; V199-F277 HydrophobicContact CG2-CZ 3.97Å; V199-I291 HydrophobicContact CG1-CG2 4.01Å; V199-Q292 PolarHBondContact N-O 3.4Å; V199-F293 HydrophobicContact CG1-CD1 3.63Å; V199-F293 HydrophobicContact CG1-CE1 3.87Å; V199-F293 HydrophobicContact CG1-CG 4.27Å; V199-E294 PolarHBondContact O-N 2.99Å; V199-F296 WeakPolarHBondContact O-CE2 3.31Å
200	T	98.8	Very high	94.8	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.7	172.3	-170.6	0	0	0	0	110.4	G202 P219 V240 L241 L242 E294	T200-G202 PolarHBondContact OG1-N 2.89Å; T200-P219 HydrophobicContact CG2-CG 3.56Å; T200-V240 PolarHBondContact N-O 2.78Å; T200-L241 HydrophobicContact CG2-CD1 3.93Å; T200-L241 HydrophobicContact CG2-CG 4.45Å; T200-L241 CarbonylContact O-C 3.49Å; T200-L241 WeakPolarHBondContact O-CA 3.21Å; T200-L242 PolarHBondContact O-N 3.11Å; T200-E294 WeakPolarHBondContact CA-O 3.19Å; T200-E294 WeakPolarHBondContact CB-O 3.31Å; T200-E294 PolarHBondContact OG1-O 3.37Å
201	D	98.4	Very high	95	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.168	C	C	.	.			trans	-101.1	2.9	163.5	70.5	1.2	0	0	0	112.9	E203 L242 R264 Y270 F296	D201-E203 PolarHBondContact O-N 3.31Å; D201-E203 VanDerWaalsContact OD1-CB 3.29Å; D201-E203 WeakPolarHBondContact OD1-CB 3.47Å; D201-E203 PolarHBondContact OD1-N 2.75Å; D201-E203 VanDerWaalsContact OD1-N 3.14Å; D201-L242 WeakPolarHBondContact CA-O 3.49Å; D201-L242 HydrophobicContact CB-CB 4.39Å; D201-R264 PolarHBondContact O-NH1 2.63Å; D201-R264 PolarHBondContact O-NH2 3.19Å; D201-R264 IonicContact OD2-NH1 3.15Å; D201-Y270 PolarHBondContact OD2-OH 2.9Å; D201-F296 HydrophobicContact CB-CD1 4.18Å; D201-F296 HydrophobicContact CB-CE1 3.77Å; D201-F296 HydrophobicContact CB-CZ 4.28Å; D201-F296 VanDerWaalsContact CG-CD1 3.43Å; D201-F296 WeakPolarHBondContact OD2-CD1 3.44Å
202	G	97.6	Very high	95.1	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	67.9	13.3	176.1	0	0	0	0	0	115.2	T200 L211 G212 R264	T200-G202 PolarHBondContact OG1-N 2.89Å; G202-L211 PolarHBondContact O-N 2.91Å; G202-G212 PolarHBondContact O-N 2.86Å; G202-R264 VanDerWaalsContact C-NH2 3.3Å; G202-R264 PolarHBondContact O-NH2 3.19Å
203	E	97.8	Very high	95.2	Very high	31 Å²	31	22 Å²	22	15%	0.145	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-29.9	-174.7	-168.8	178.6	173.7	0	0	113.2	D201 G209 D210 R264 R266 A297	D201-E203 PolarHBondContact O-N 3.31Å; D201-E203 VanDerWaalsContact OD1-CB 3.29Å; D201-E203 WeakPolarHBondContact OD1-CB 3.47Å; D201-E203 PolarHBondContact OD1-N 2.75Å; D201-E203 VanDerWaalsContact OD1-N 3.14Å; E203-G209 CarbonylContact O-C 3.57Å; E203-G209 VanDerWaalsContact O-C 3.31Å; E203-D210 WeakPolarHBondContact O-CA 3.29Å; E203-D210 WeakPolarHBondContact O-CB 3.5Å; E203-D210 PolarHBondContact O-N 3.18Å; E203-D210 VanDerWaalsContact O-N 3.15Å; E203-R264 VanDerWaalsContact CA-NH2 3.28Å; E203-R266 VanDerWaalsContact CD-NH2 3.27Å; E203-R266 IonicContact OE1-CZ 2.69Å; E203-R266 VanDerWaalsContact OE1-CZ 3.23Å; E203-R266 IonicContact OE1-NH1 3.91Å; E203-R266 PolarHBondContact OE1-NH1 3.47Å; E203-R266 IonicContact OE1-NH2 2.76Å; E203-R266 PolarHBondContact OE1-NH2 3.01Å; E203-R266 IonicContact OE2-CZ 2.91Å; E203-R266 IonicContact OE2-NH1 2.66Å; E203-R266 PolarHBondContact OE2-NH1 2.84Å; E203-R266 IonicContact OE2-NH2 3.72Å; E203-A297 HydrophobicContact CB-CB 4.33Å; E203-A297 HydrophobicContact CG-CB 3.85Å; E203-A297 WeakPolarHBondContact OE1-CB 3.22Å; E203-A297 WeakPolarHBondContact OE2-CB 3.05Å
204	R	94.6	Very high	95.3	Very high	71 Å²	71	18.5 Å²	18.5	27%	0.268	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.2	54.7	-174.8	-164.6	-173.9	166	-92.5	-13.6	111.2	L206 D295 F296 E353	R204-L206 PolarHBondContact O-N 3.45Å; R204-L206 VanDerWaalsContact O-N 3.13Å; R204-D295 CarbonylContact C-O 3.25Å; R204-D295 WeakPolarHBondContact CA-O 3.5Å; R204-D295 PolarHBondContact N-O 2.97Å; R204-D295 WeakPolarHBondContact O-CB 3.39Å; R204-F296 WeakPolarHBondContact CB-O 3.46Å; R204-F296 WeakPolarHBondContact CD-O 3.38Å; R204-E353 IonicContact CZ-OE2 3.65Å; R204-E353 IonicContact NH1-OE2 2.91Å; R204-E353 PolarHBondContact NH1-OE2 3.4Å
205	I	92.3	Very high	95.2	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-56.8	123.2	172.6	-54.5	-49	0	0	0	109	G207 L208 G209 L211 I218 D295	I205-G207 PolarHBondContact O-N 3.47Å; I205-G207 VanDerWaalsContact O-N 3.09Å; I205-L208 HydrophobicContact CB-CB 4.38Å; I205-L208 HydrophobicContact CG2-CB 4.32Å; I205-L208 HydrophobicContact CG2-CD1 4.2Å; I205-L208 CarbonylContact O-C 3.58Å; I205-L208 WeakPolarHBondContact O-CA 3.46Å; I205-L208 PolarHBondContact O-N 3.37Å; I205-G209 PolarHBondContact N-O 2.99Å; I205-G209 PolarHBondContact O-N 3.41Å; I205-L211 HydrophobicContact CB-CD1 3.97Å; I205-L211 HydrophobicContact CB-CG 4.17Å; I205-L211 HydrophobicContact CG1-CB 3.88Å; I205-L211 HydrophobicContact CG1-CD1 3.91Å; I205-L211 HydrophobicContact CG1-CG 3.91Å; I205-L211 HydrophobicContact CG2-CD1 4.01Å; I205-I218 HydrophobicContact CD1-CG1 3.92Å; I205-I218 HydrophobicContact CG2-CD1 4.07Å; I205-I218 HydrophobicContact CG2-CG1 4Å; I205-D295 WeakPolarHBondContact CA-OD2 3.4Å; I205-D295 HydrophobicContact CD1-CB 3.77Å
206	L	82.4	Confident	95.1	Very high	55 Å²	55	15.2 Å²	15.2	29%	0.288	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	114.5	-165.9	-171.3	65	0	0	0	113.7	R204 L208 D295 N457	R204-L206 PolarHBondContact O-N 3.45Å; R204-L206 VanDerWaalsContact O-N 3.13Å; L206-L208 PolarHBondContact O-N 2.87Å; L206-D295 PolarHBondContact N-OD1 3.24Å; L206-N457 HydrophobicContact CD2-CB 3.69Å; L206-N457 HydrophobicContact CG-CB 4.07Å
207	G	80.4	Confident	94.9	Very high	33 Å²	33	15.2 Å²	15.2	34%	0.34	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	-2.9	179.5	0	0	0	0	0	115.5	I205	I205-G207 PolarHBondContact O-N 3.47Å; I205-G207 VanDerWaalsContact O-N 3.09Å
208	L	87.1	Confident	94.8	Very high	54 Å²	54	15.5 Å²	15.5	28%	0.283	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-19.6	-176.1	-58	179.1	0	0	0	113.5	G156 Q160 I205 L206 L211	G156-L208 VanDerWaalsContact CA-CD1 3.46Å; G156-L208 WeakPolarHBondContact O-CD1 3.35Å; Q160-L208 HydrophobicContact CG-CD1 4.07Å; I205-L208 HydrophobicContact CB-CB 4.38Å; I205-L208 HydrophobicContact CG2-CB 4.32Å; I205-L208 HydrophobicContact CG2-CD1 4.2Å; I205-L208 CarbonylContact O-C 3.58Å; I205-L208 WeakPolarHBondContact O-CA 3.46Å; I205-L208 PolarHBondContact O-N 3.37Å; L206-L208 PolarHBondContact O-N 2.87Å; L208-L211 HydrophobicContact CB-CD1 4.22Å; L208-L211 HydrophobicContact CD1-CD1 4.26Å
209	G	92.6	Very high	94.7	Very high	31 Å²	31	15.5 Å²	15.5	32%	0.32	9%	0.091	S	C	.	.	B	Isolated β-bridge	trans	81.1	-146.7	176	0	0	0	0	0	113.1	E203 I205 L211	E203-G209 CarbonylContact O-C 3.57Å; E203-G209 VanDerWaalsContact O-C 3.31Å; I205-G209 PolarHBondContact N-O 2.99Å; I205-G209 PolarHBondContact O-N 3.41Å; G209-L211 PolarHBondContact O-N 3.44Å
210	D	97.2	Very high	94.7	Very high	24 Å²	24	16 Å²	16	13%	0.128	9%	0.094	C	C	.	.			trans	-76.1	110.7	-175.1	-173.9	-9.2	0	0	0	111.1	E203 G212 T246 D247 N248 R264	E203-D210 WeakPolarHBondContact O-CA 3.29Å; E203-D210 WeakPolarHBondContact O-CB 3.5Å; E203-D210 PolarHBondContact O-N 3.18Å; E203-D210 VanDerWaalsContact O-N 3.15Å; D210-G212 PolarHBondContact OD1-N 3.4Å; D210-T246 PolarHBondContact OD1-OG1 3.39Å; D210-T246 PolarHBondContact OD2-OG1 2.74Å; D210-D247 PolarHBondContact OD2-N 3.39Å; D210-N248 HydrophobicContact CB-CB 4.4Å; D210-N248 WeakPolarHBondContact O-CB 3.2Å; D210-N248 PolarHBondContact O-ND2 2.79Å; D210-R264 VanDerWaalsContact CG-NE 3.34Å; D210-R264 IonicContact OD1-CZ 3.25Å; D210-R264 IonicContact OD1-NE 3.96Å; D210-R264 PolarHBondContact OD1-NE 3.41Å; D210-R264 IonicContact OD1-NH2 2.93Å; D210-R264 PolarHBondContact OD1-NH2 3.34Å; D210-R264 IonicContact OD2-CZ 2.6Å; D210-R264 IonicContact OD2-NE 3.77Å; D210-R264 PolarHBondContact OD2-NE 3.16Å; D210-R264 IonicContact OD2-NH2 2.69Å
211	L	97.3	Very high	94.5	Very high	8 Å²	8	16 Å²	16	4%	0.042	10%	0.095	C	C	.	.			trans	-110.1	0.9	173.3	-58.8	-173.9	0	0	0	112.6	C159 Q160 G202 I205 L208 G209 S213 Y214 L251	C159-L211 HydrophobicContact CB-CD1 3.68Å; Q160-L211 HydrophobicContact CG-CD1 4.14Å; Q160-L211 HydrophobicContact CG-CD2 4.37Å; G202-L211 PolarHBondContact O-N 2.91Å; I205-L211 HydrophobicContact CB-CD1 3.97Å; I205-L211 HydrophobicContact CB-CG 4.17Å; I205-L211 HydrophobicContact CG1-CB 3.88Å; I205-L211 HydrophobicContact CG1-CD1 3.91Å; I205-L211 HydrophobicContact CG1-CG 3.91Å; I205-L211 HydrophobicContact CG2-CD1 4.01Å; L208-L211 HydrophobicContact CB-CD1 4.22Å; L208-L211 HydrophobicContact CD1-CD1 4.26Å; G209-L211 PolarHBondContact O-N 3.44Å; L211-S213 PolarHBondContact O-N 2.63Å; L211-Y214 VanDerWaalsContact O-CB 3.31Å; L211-Y214 WeakPolarHBondContact O-CB 3.48Å; L211-Y214 PolarHBondContact O-N 2.84Å; L211-L251 WeakPolarHBondContact O-CD1 3.33Å
212	G	97.8	Very high	94.5	Very high	1 Å²	1	16 Å²	16	1%	0.01	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	45.3	-131.6	-175.5	0	0	0	0	0	112.6	G202 D210 Y214 G215 Y257	G202-G212 PolarHBondContact O-N 2.86Å; D210-G212 PolarHBondContact OD1-N 3.4Å; G212-Y214 PolarHBondContact O-N 3.34Å; G212-Y214 VanDerWaalsContact O-N 3.09Å; G212-G215 PolarHBondContact O-N 2.88Å; G212-Y257 WeakPolarHBondContact CA-OH 3.4Å
213	S	97.1	Very high	94.5	Very high	4 Å²	4	16.4 Å²	16.4	3%	0.028	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-59.1	-19.1	178.5	-90.9	0	0	0	0	116.7	L211 G215 M216 L241 D243 Y257	L211-S213 PolarHBondContact O-N 2.63Å; S213-G215 PolarHBondContact O-N 3.31Å; S213-M216 PolarHBondContact O-N 2.97Å; S213-L241 VanDerWaalsContact OG-CD2 3.29Å; S213-L241 WeakPolarHBondContact OG-CD2 3.4Å; S213-D243 VanDerWaalsContact OG-CG 3.25Å; S213-D243 PolarHBondContact OG-OD2 3.22Å; S213-Y257 PolarHBondContact N-OH 2.94Å; S213-Y257 VanDerWaalsContact N-OH 3.11Å
214	Y	96.9	Very high	94.6	Very high	5 Å²	5	15 Å²	15	2%	0.02	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-68.8	-14	172.6	-76.6	1.8	0	0	0	112.8	C159 Y162 G163 L211 G212 M216 L251 D254 L256 Y257 I258	C159-Y214 WeakPolarHBondContact CB-O 3.42Å; C159-Y214 VanDerWaalsContact O-CB 3.25Å; C159-Y214 WeakPolarHBondContact O-CB 3.42Å; C159-Y214 WeakPolarHBondContact O-CD2 3.22Å; C159-Y214 PolarHBondContact SG-O 3Å; Y162-Y214 HydrophobicContact CD1-CD1 4.42Å; G163-Y214 VanDerWaalsContact CA-CE1 3.44Å; G163-Y214 WeakPolarHBondContact CA-OH 3.33Å; G163-Y214 VanDerWaalsContact N-CZ 3.32Å; L211-Y214 VanDerWaalsContact O-CB 3.31Å; L211-Y214 WeakPolarHBondContact O-CB 3.48Å; L211-Y214 PolarHBondContact O-N 2.84Å; G212-Y214 PolarHBondContact O-N 3.34Å; G212-Y214 VanDerWaalsContact O-N 3.09Å; Y214-M216 PolarHBondContact O-N 3.21Å; Y214-L251 HydrophobicContact CD2-CD2 3.79Å; Y214-L251 HydrophobicContact CE2-CD2 3.64Å; Y214-D254 PolarHBondContact OH-OD2 3.36Å; Y214-L256 PolarHBondContact OH-O 2.8Å; Y214-Y257 HydrophobicContact CD1-CD2 4.01Å; Y214-Y257 HydrophobicContact CD1-CE2 4.16Å; Y214-Y257 AromaticContact CE1-CD2 3.78Å; Y214-Y257 HydrophobicContact CE1-CD2 3.78Å; Y214-Y257 HydrophobicContact CE1-CE2 4.38Å; Y214-Y257 HydrophobicContact CE2-CD2 4.34Å; Y214-Y257 HydrophobicContact CG-CD2 4.41Å; Y214-Y257 HydrophobicContact CG-CE2 4.39Å; Y214-Y257 AromaticContact CZ-CD2 3.93Å; Y214-Y257 WeakPolarHBondContact OH-CA 3.49Å; Y214-Y257 PolarHBondContact OH-N 3.25Å; Y214-I258 HydrophobicContact CD1-CD1 4.22Å; Y214-I258 HydrophobicContact CD1-CG1 3.94Å; Y214-I258 HydrophobicContact CE1-CD1 4.31Å; Y214-I258 HydrophobicContact CE1-CG1 3.87Å; Y214-I258 HydrophobicContact CE1-CG2 4.39Å
215	G	96.5	Very high	94.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-66.6	-9.6	175.5	0	0	0	0	0	115.5	G212 S213 G217 I218 P219	G212-G215 PolarHBondContact O-N 2.88Å; S213-G215 PolarHBondContact O-N 3.31Å; G215-G217 PolarHBondContact O-N 3.48Å; G215-I218 PolarHBondContact O-N 3.45Å; G215-P219 VanDerWaalsContact O-CD 3.32Å; G215-P219 WeakPolarHBondContact O-CD 3.47Å
216	M	97.3	Very high	95	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-57.4	-25.6	-178.5	176.3	59	86.8	0	0	113.1	Y162 L172 F173 S213 Y214 I218 P219 V220 P239 L241	Y162-M216 HydrophobicContact CE1-CB 4.19Å; Y162-M216 WeakPolarHBondContact OH-CG 3.35Å; L172-M216 WeakPolarHBondContact O-CE 3.3Å; F173-M216 HydrophobicContact CD1-CE 3.92Å; F173-M216 HydrophobicContact CD2-CE 3.86Å; F173-M216 HydrophobicContact CE1-CB 3.86Å; F173-M216 HydrophobicContact CE1-CE 3.74Å; F173-M216 HydrophobicContact CE1-CG 4.06Å; F173-M216 HydrophobicContact CE2-CE 3.66Å; F173-M216 HydrophobicContact CE2-CG 4.36Å; F173-M216 HydrophobicContact CG-CE 3.98Å; F173-M216 HydrophobicContact CZ-CB 3.91Å; F173-M216 HydrophobicContact CZ-CE 3.6Å; F173-M216 HydrophobicContact CZ-CG 3.65Å; S213-M216 PolarHBondContact O-N 2.97Å; Y214-M216 PolarHBondContact O-N 3.21Å; M216-I218 PolarHBondContact O-N 3.05Å; M216-P219 WeakPolarHBondContact O-CD 3.48Å; M216-V220 HydrophobicContact CG-CG2 4.37Å; M216-V220 WeakPolarHBondContact O-CG2 3.17Å; M216-V220 PolarHBondContact O-N 3.49Å; M216-V220 HydrophobicContact SD-CG2 4.31Å; M216-P239 HydrophobicContact SD-CB 4.23Å; M216-L241 HydrophobicContact CB-CB 4.4Å; M216-L241 HydrophobicContact CB-CD1 4.05Å; M216-L241 HydrophobicContact CE-CB 3.47Å; M216-L241 VanDerWaalsContact CE-CB 3.47Å; M216-L241 VanDerWaalsContact N-CD1 3.28Å; M216-L241 HydrophobicContact SD-CB 4.19Å
217	G	94.6	Very high	95.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-57.5	-29.7	174.4	0	0	0	0	0	113.6	V155 G215 G221	V155-G217 VanDerWaalsContact CG2-O 3.31Å; V155-G217 WeakPolarHBondContact CG2-O 3.47Å; G215-G217 PolarHBondContact O-N 3.48Å; G217-G221 PolarHBondContact O-N 3.16Å
218	I	95.8	Very high	96.7	Very high	6 Å²	6	7.4 Å²	7.4	3%	0.031	5%	0.047	C	C	.	.	H	α-helix	trans	-69.7	-55.5	-178	-56.9	-55.1	0	0	0	112.2	V155 I205 G215 M216 V220 G221 K222 E294 D295	V155-I218 HydrophobicContact CB-CD1 4.5Å; V155-I218 HydrophobicContact CG1-CD1 3.7Å; V155-I218 HydrophobicContact CG2-CD1 4.07Å; I205-I218 HydrophobicContact CD1-CG1 3.92Å; I205-I218 HydrophobicContact CG2-CD1 4.07Å; I205-I218 HydrophobicContact CG2-CG1 4Å; G215-I218 PolarHBondContact O-N 3.45Å; M216-I218 PolarHBondContact O-N 3.05Å; I218-V220 PolarHBondContact O-N 3.48Å; I218-G221 PolarHBondContact O-N 3.35Å; I218-K222 PolarHBondContact O-N 2.95Å; I218-E294 HydrophobicContact CG2-CG 3.62Å; I218-D295 WeakPolarHBondContact CG2-OD2 3.42Å
219	P	98.2	Very high	97.2	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-52.6	-40.9	172.6	-30	34	0	0	0	113.9	V198 T200 G215 M216 K222 L223 P239	V198-P219 HydrophobicContact CB-CB 4.19Å; V198-P219 HydrophobicContact CG1-CB 4.04Å; V198-P219 HydrophobicContact CG1-CG 4.35Å; T200-P219 HydrophobicContact CG2-CG 3.56Å; G215-P219 VanDerWaalsContact O-CD 3.32Å; G215-P219 WeakPolarHBondContact O-CD 3.47Å; M216-P219 WeakPolarHBondContact O-CD 3.48Å; P219-K222 PolarHBondContact O-N 2.89Å; P219-L223 WeakPolarHBondContact O-CB 3.42Å; P219-L223 WeakPolarHBondContact O-CG 3.39Å; P219-L223 PolarHBondContact O-N 2.95Å; P219-P239 HydrophobicContact CB-CB 3.59Å
220	V	97.2	Very high	97.4	Very high	10 Å²	10	3.5 Å²	3.5	6%	0.061	2%	0.02	C	C	.	.	H	α-helix	trans	-63.6	-48.7	178.6	173.7	0	0	0	0	111.1	M125 R170 M216 I218 L223 A224 P239	M125-V220 HydrophobicContact SD-CG1 4.37Å; R170-V220 HydrophobicContact CB-CG2 3.92Å; M216-V220 HydrophobicContact CG-CG2 4.37Å; M216-V220 WeakPolarHBondContact O-CG2 3.17Å; M216-V220 PolarHBondContact O-N 3.49Å; M216-V220 HydrophobicContact SD-CG2 4.31Å; I218-V220 PolarHBondContact O-N 3.48Å; V220-L223 PolarHBondContact O-N 3.39Å; V220-A224 PolarHBondContact O-N 3.48Å; V220-P239 HydrophobicContact CG2-CB 3.98Å; V220-P239 HydrophobicContact CG2-CG 3.96Å
221	G	95.9	Very high	97.5	Very high	1 Å²	1	2.3 Å²	2.3	1%	0.01	1%	0.014	C	C	.	.	H	α-helix	trans	-62.6	-42.7	177.7	0	0	0	0	0	112.5	G217 I218 A224 L225	G217-G221 PolarHBondContact O-N 3.16Å; I218-G221 PolarHBondContact O-N 3.35Å; G221-A224 WeakPolarHBondContact O-CB 3.26Å; G221-A224 PolarHBondContact O-N 3.03Å; G221-L225 PolarHBondContact O-N 2.85Å; G221-L225 VanDerWaalsContact O-N 3.16Å
222	K	97.6	Very high	97.5	Very high	1 Å²	1	2 Å²	2	0%	0.004	1%	0.012	C	C	.	.	H	α-helix	trans	-61.4	-48	176	-81.6	-141.1	166.2	179.8	0	112.8	Y151 V198 I218 P219 A224 L225 Y226 E294 D317	Y151-K222 HydrophobicContact CD2-CG 4.44Å; Y151-K222 HydrophobicContact CE2-CG 3.58Å; Y151-K222 WeakPolarHBondContact OH-CE 3.37Å; V198-K222 HydrophobicContact CG1-CB 4.23Å; V198-K222 HydrophobicContact CG1-CD 4.39Å; V198-K222 HydrophobicContact CG2-CB 4.19Å; I218-K222 PolarHBondContact O-N 2.95Å; P219-K222 PolarHBondContact O-N 2.89Å; K222-A224 PolarHBondContact O-N 3.16Å; K222-L225 CarbonylContact O-C 3.4Å; K222-L225 WeakPolarHBondContact O-CA 3.35Å; K222-L225 WeakPolarHBondContact O-CB 3.14Å; K222-L225 PolarHBondContact O-N 3.44Å; K222-Y226 VanDerWaalsContact O-CD2 3.31Å; K222-Y226 WeakPolarHBondContact O-CD2 3.5Å; K222-Y226 PolarHBondContact O-N 2.96Å; K222-E294 HydrophobicContact CD-CG 4.2Å; K222-E294 WeakPolarHBondContact CD-OE2 3.4Å; K222-E294 WeakPolarHBondContact CE-OE1 3.38Å; K222-E294 VanDerWaalsContact CE-OE2 3.29Å; K222-E294 WeakPolarHBondContact CE-OE2 3.46Å; K222-E294 IonicContact NZ-OE1 2.77Å; K222-E294 PolarHBondContact NZ-OE1 2.89Å; K222-E294 IonicContact NZ-OE2 3.18Å; K222-E294 PolarHBondContact NZ-OE2 3.41Å; K222-D317 IonicContact NZ-OD2 2.72Å; K222-D317 PolarHBondContact NZ-OD2 3.04Å
223	L	98.5	Very high	97.5	Very high	8 Å²	8	3.1 Å²	3.1	4%	0.042	2%	0.019	C	C	.	.	H	α-helix	trans	-67.8	-26.2	178.9	-69.8	172.4	0	0	0	112.5	A196 V198 P219 V220 L225 Y226 T227 C237 P239	A196-L223 HydrophobicContact CB-CD2 4.45Å; V198-L223 HydrophobicContact CB-CD1 4.37Å; V198-L223 HydrophobicContact CB-CD2 4.37Å; V198-L223 HydrophobicContact CB-CG 4.13Å; V198-L223 HydrophobicContact CG2-CD1 4.44Å; V198-L223 HydrophobicContact CG2-CD2 3.58Å; V198-L223 HydrophobicContact CG2-CG 3.76Å; P219-L223 WeakPolarHBondContact O-CB 3.42Å; P219-L223 WeakPolarHBondContact O-CG 3.39Å; P219-L223 PolarHBondContact O-N 2.95Å; V220-L223 PolarHBondContact O-N 3.39Å; L223-L225 VanDerWaalsContact C-N 3.32Å; L223-Y226 HydrophobicContact CD2-CD1 4Å; L223-Y226 HydrophobicContact CD2-CD2 4.3Å; L223-Y226 HydrophobicContact CD2-CE1 4.33Å; L223-Y226 HydrophobicContact CD2-CG 4.01Å; L223-Y226 WeakPolarHBondContact O-CB 3.11Å; L223-Y226 PolarHBondContact O-N 3Å; L223-T227 PolarHBondContact O-N 3.04Å; L223-T227 PolarHBondContact O-OG1 2.98Å; L223-C237 HydrophobicContact CB-CB 4.18Å; L223-C237 HydrophobicContact CD1-CB 4.05Å; L223-C237 HydrophobicContact CD2-CB 3.81Å; L223-C237 HydrophobicContact CG-CB 4.22Å; L223-P239 HydrophobicContact CD1-CB 3.8Å; L223-P239 HydrophobicContact CD1-CG 3.92Å
224	A	98.3	Very high	97.5	Very high	1 Å²	1	3.4 Å²	3.4	1%	0.008	2%	0.021	C	C	.	.	H	α-helix	trans	-62.1	-40.7	167.2	0	0	0	0	0	111.5	F135 Y136 V220 G221 K222 T227 A228	F135-A224 HydrophobicContact CE1-CB 4.24Å; F135-A224 HydrophobicContact CZ-CB 4.29Å; Y136-A224 WeakPolarHBondContact CE1-O 3.23Å; V220-A224 PolarHBondContact O-N 3.48Å; G221-A224 WeakPolarHBondContact O-CB 3.26Å; G221-A224 PolarHBondContact O-N 3.03Å; K222-A224 PolarHBondContact O-N 3.16Å; A224-T227 PolarHBondContact O-N 2.87Å; A224-A228 VanDerWaalsContact O-CB 3.3Å; A224-A228 WeakPolarHBondContact O-CB 3.28Å; A224-A228 PolarHBondContact O-N 2.84Å
225	L	98.4	Very high	97.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-74.9	-30.6	175.8	-61.8	-170.8	0	0	0	113.8	M147 V150 Y151 G221 K222 L223 T227 A228 C229 G230 A504 F507	M147-L225 HydrophobicContact CB-CD2 4.49Å; M147-L225 HydrophobicContact CG-CD1 3.99Å; M147-L225 HydrophobicContact CG-CD2 3.86Å; M147-L225 HydrophobicContact SD-CD1 4.29Å; V150-L225 HydrophobicContact CG2-CD2 4.17Å; Y151-L225 HydrophobicContact CD1-CD1 3.47Å; Y151-L225 VanDerWaalsContact CD1-CD1 3.47Å; Y151-L225 HydrophobicContact CD2-CD1 4.34Å; Y151-L225 HydrophobicContact CE1-CD1 4.26Å; Y151-L225 HydrophobicContact CG-CD1 3.54Å; Y151-L225 HydrophobicContact CG-CG 4.37Å; G221-L225 PolarHBondContact O-N 2.85Å; G221-L225 VanDerWaalsContact O-N 3.16Å; K222-L225 CarbonylContact O-C 3.4Å; K222-L225 WeakPolarHBondContact O-CA 3.35Å; K222-L225 WeakPolarHBondContact O-CB 3.14Å; K222-L225 PolarHBondContact O-N 3.44Å; L223-L225 VanDerWaalsContact C-N 3.32Å; L225-T227 PolarHBondContact O-N 2.92Å; L225-A228 PolarHBondContact O-N 3Å; L225-C229 WeakPolarHBondContact O-CA 3.41Å; L225-C229 VanDerWaalsContact O-CB 3.22Å; L225-C229 WeakPolarHBondContact O-CB 3.39Å; L225-C229 PolarHBondContact O-N 2.8Å; L225-G230 PolarHBondContact O-N 3.08Å; L225-A504 HydrophobicContact CD1-CB 4.35Å; L225-F507 HydrophobicContact CB-CE2 3.79Å; L225-F507 HydrophobicContact CB-CZ 3.71Å; L225-F507 HydrophobicContact CD1-CZ 3.98Å; L225-F507 HydrophobicContact CG-CZ 4.49Å
226	Y	98.7	Very high	97.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-52.3	-41.6	167.8	-90.8	-127.9	0	0	0	111	A196 V198 K222 L223 G230 G231 V232 L290 Q292 F507 A511	A196-Y226 HydrophobicContact CB-CD1 4.11Å; A196-Y226 HydrophobicContact CB-CE1 3.94Å; V198-Y226 HydrophobicContact CG2-CE2 4.09Å; K222-Y226 VanDerWaalsContact O-CD2 3.31Å; K222-Y226 WeakPolarHBondContact O-CD2 3.5Å; K222-Y226 PolarHBondContact O-N 2.96Å; L223-Y226 HydrophobicContact CD2-CD1 4Å; L223-Y226 HydrophobicContact CD2-CD2 4.3Å; L223-Y226 HydrophobicContact CD2-CE1 4.33Å; L223-Y226 HydrophobicContact CD2-CG 4.01Å; L223-Y226 WeakPolarHBondContact O-CB 3.11Å; L223-Y226 PolarHBondContact O-N 3Å; Y226-G230 CarbonylContact O-C 3.58Å; Y226-G230 VanDerWaalsContact O-C 3.24Å; Y226-G230 WeakPolarHBondContact O-CA 3.28Å; Y226-G230 PolarHBondContact O-N 3.32Å; Y226-G231 PolarHBondContact O-N 3.02Å; Y226-V232 HydrophobicContact CD1-CB 4.45Å; Y226-V232 HydrophobicContact CD1-CG2 4.11Å; Y226-V232 PolarHBondContact O-N 3.15Å; Y226-L290 HydrophobicContact CE1-CD2 3.98Å; Y226-Q292 VanDerWaalsContact CZ-OE1 3.3Å; Y226-Q292 PolarHBondContact OH-OE1 2.73Å; Y226-F507 AromaticContact CD2-CD2 3.36Å; Y226-F507 HydrophobicContact CD2-CD2 3.36Å; Y226-F507 AromaticContact CD2-CE2 3.54Å; Y226-F507 HydrophobicContact CD2-CE2 3.54Å; Y226-F507 HydrophobicContact CE2-CB 4.28Å; Y226-F507 AromaticContact CE2-CD2 3.2Å; Y226-F507 HydrophobicContact CE2-CD2 3.2Å; Y226-F507 AromaticContact CE2-CE2 3.81Å; Y226-F507 HydrophobicContact CE2-CE2 3.81Å; Y226-F507 HydrophobicContact CE2-CG 4.04Å; Y226-F507 HydrophobicContact CG-CD2 4.48Å; Y226-A511 HydrophobicContact CD1-CB 3.68Å; Y226-A511 HydrophobicContact CE1-CB 3.17Å
227	T	98.7	Very high	97.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-82.2	-48.8	179.6	-52.3	0	0	0	0	112.2	Y136 L223 A224 L225 G231 V232 P234 R556 Y594	Y136-T227 HydrophobicContact CD1-CG2 3.59Å; Y136-T227 HydrophobicContact CD2-CG2 3.83Å; Y136-T227 HydrophobicContact CE1-CG2 3.46Å; Y136-T227 VanDerWaalsContact CE1-CG2 3.46Å; Y136-T227 HydrophobicContact CE2-CG2 3.69Å; Y136-T227 HydrophobicContact CG-CG2 3.78Å; Y136-T227 VanDerWaalsContact CZ-CB 3.5Å; Y136-T227 VanDerWaalsContact CZ-CG2 3.49Å; Y136-T227 PolarHBondContact OH-OG1 3.02Å; L223-T227 PolarHBondContact O-N 3.04Å; L223-T227 PolarHBondContact O-OG1 2.98Å; A224-T227 PolarHBondContact O-N 2.87Å; L225-T227 PolarHBondContact O-N 2.92Å; T227-G231 VanDerWaalsContact O-CA 3.24Å; T227-G231 WeakPolarHBondContact O-CA 3.46Å; T227-G231 PolarHBondContact O-N 3.42Å; T227-V232 WeakPolarHBondContact CA-O 3.32Å; T227-V232 WeakPolarHBondContact CB-O 3.32Å; T227-V232 WeakPolarHBondContact CG2-O 3.44Å; T227-V232 PolarHBondContact OG1-O 2.97Å; T227-V232 VanDerWaalsContact OG1-O 3.05Å; T227-P234 HydrophobicContact CG2-CB 4.3Å; T227-P234 HydrophobicContact CG2-CG 4.22Å; T227-R556 PolarHBondContact O-NH1 2.83Å; T227-Y594 HydrophobicContact CG2-CD1 3.49Å; T227-Y594 VanDerWaalsContact CG2-CD1 3.49Å; T227-Y594 HydrophobicContact CG2-CE1 3.87Å; T227-Y594 HydrophobicContact CG2-CG 4.03Å
228	A	98.3	Very high	97.8	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.008	4%	0.044	C	C	.	.	H	α-helix	trans	-69.5	-40.9	-174.4	0	0	0	0	0	112.5	Y136 L139 I143 A224 L225 R556	Y136-A228 HydrophobicContact CD1-CB 4.22Å; L139-A228 HydrophobicContact CB-CB 4.17Å; L139-A228 HydrophobicContact CD1-CB 4.02Å; I143-A228 HydrophobicContact CD1-CB 4.22Å; A224-A228 VanDerWaalsContact O-CB 3.3Å; A224-A228 WeakPolarHBondContact O-CB 3.28Å; A224-A228 PolarHBondContact O-N 2.84Å; L225-A228 PolarHBondContact O-N 3Å; A228-R556 VanDerWaalsContact O-CD 3.3Å; A228-R556 WeakPolarHBondContact O-CD 3.33Å; A228-R556 VanDerWaalsContact O-CG 3.22Å; A228-R556 WeakPolarHBondContact O-CG 3.49Å; A228-R556 PolarHBondContact O-NH1 3.08Å
229	C	98.1	Very high	98	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-43.8	179.3	-55.7	0	0	0	0	111.7	L225 P508 I555 R556 S559	L225-C229 WeakPolarHBondContact O-CA 3.41Å; L225-C229 VanDerWaalsContact O-CB 3.22Å; L225-C229 WeakPolarHBondContact O-CB 3.39Å; L225-C229 PolarHBondContact O-N 2.8Å; C229-P508 HydrophobicContact CB-CB 3.91Å; C229-P508 HydrophobicContact CB-CG 3.73Å; C229-I555 HydrophobicContact CB-CG1 3.92Å; C229-I555 HydrophobicContact CB-CG2 4.04Å; C229-R556 VanDerWaalsContact O-CA 3.3Å; C229-R556 WeakPolarHBondContact O-CA 3.49Å; C229-R556 WeakPolarHBondContact O-CG 3.24Å; C229-S559 VanDerWaalsContact O-CB 3.31Å; C229-S559 WeakPolarHBondContact O-CB 3.45Å; C229-S559 PolarHBondContact O-OG 3.02Å
230	G	97.3	Very high	98	Very high	3 Å²	3	8.3 Å²	8.3	3%	0.031	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-20.7	-174.5	0	0	0	0	0	114.7	L225 Y226 V232 P508 L512	L225-G230 PolarHBondContact O-N 3.08Å; Y226-G230 CarbonylContact O-C 3.58Å; Y226-G230 VanDerWaalsContact O-C 3.24Å; Y226-G230 WeakPolarHBondContact O-CA 3.28Å; Y226-G230 PolarHBondContact O-N 3.32Å; G230-V232 VanDerWaalsContact C-N 3.26Å; G230-V232 PolarHBondContact O-N 3.2Å; G230-P508 VanDerWaalsContact N-CB 3.28Å; G230-L512 VanDerWaalsContact O-CD2 3.31Å; G230-L512 WeakPolarHBondContact O-CD2 3.4Å
231	G	97.9	Very high	98.1	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.043	C	C	.	.			trans	71.9	17.9	-173.6	0	0	0	0	0	114.2	Y226 T227 Y594	Y226-G231 PolarHBondContact O-N 3.02Å; T227-G231 VanDerWaalsContact O-CA 3.24Å; T227-G231 WeakPolarHBondContact O-CA 3.46Å; T227-G231 PolarHBondContact O-N 3.42Å; G231-Y594 WeakPolarHBondContact O-CB 3.3Å; G231-Y594 PolarHBondContact O-N 3.31Å
232	V	98.4	Very high	98.2	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.006	4%	0.042	C	C	.	.			trans	-66.2	133.3	171.4	-178.8	0	0	0	0	109.1	Y226 T227 G230 A511 L512 I515	Y226-V232 HydrophobicContact CD1-CB 4.45Å; Y226-V232 HydrophobicContact CD1-CG2 4.11Å; Y226-V232 PolarHBondContact O-N 3.15Å; T227-V232 WeakPolarHBondContact CA-O 3.32Å; T227-V232 WeakPolarHBondContact CB-O 3.32Å; T227-V232 WeakPolarHBondContact CG2-O 3.44Å; T227-V232 PolarHBondContact OG1-O 2.97Å; T227-V232 VanDerWaalsContact OG1-O 3.05Å; G230-V232 VanDerWaalsContact C-N 3.26Å; G230-V232 PolarHBondContact O-N 3.2Å; V232-A511 HydrophobicContact CG2-CB 4.43Å; V232-L512 HydrophobicContact CG2-CB 4.33Å; V232-I515 HydrophobicContact CG1-CD1 3.96Å; V232-I515 HydrophobicContact CG2-CD1 4.34Å
233	P	98	Very high	98.3	Very high	24 Å²	24	8 Å²	8	16%	0.156	4%	0.043	C	C	.	.			trans	-60	127	177.6	-25.5	35.2	0	0	0	112.3	Q235 Q236 C237	P233-Q235 VanDerWaalsContact C-N 3.26Å; P233-Q235 PolarHBondContact O-N 3.45Å; P233-Q236 HydrophobicContact CB-CB 4.48Å; P233-Q236 HydrophobicContact CB-CG 4.04Å; P233-Q236 WeakPolarHBondContact O-CB 3.45Å; P233-Q236 PolarHBondContact O-N 2.95Å; P233-C237 PolarHBondContact O-SG 3.14Å
234	P	97.7	Very high	98.3	Very high	11 Å²	11	7.6 Å²	7.6	7%	0.071	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-66.7	-25.2	-173	26.1	-34	0	0	0	113.4	E132 Y136 T227 Q236 C237 Y594	E132-P234 HydrophobicContact CG-CB 4.46Å; E132-P234 HydrophobicContact CG-CG 4.06Å; E132-P234 WeakPolarHBondContact OE2-CG 3.34Å; Y136-P234 HydrophobicContact CD2-CG 4.37Å; Y136-P234 HydrophobicContact CE2-CB 3.68Å; Y136-P234 HydrophobicContact CE2-CG 3.75Å; T227-P234 HydrophobicContact CG2-CB 4.3Å; T227-P234 HydrophobicContact CG2-CG 4.22Å; P234-Q236 PolarHBondContact O-N 2.73Å; P234-C237 WeakPolarHBondContact O-CB 3.46Å; P234-C237 PolarHBondContact O-N 3.17Å; P234-Y594 VanDerWaalsContact CD-CD2 3.41Å; P234-Y594 HydrophobicContact CG-CD2 4.27Å; P234-Y594 HydrophobicContact CG-CE2 3.88Å
235	Q	96.1	Very high	98.3	Very high	52 Å²	52	7.5 Å²	7.5	24%	0.243	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-72.4	-16.8	175.7	-54.2	83.7	8.1	0	0	112.8	E132 E191 P233 C237	E132-Q235 PolarHBondContact OE2-NE2 3.15Å; E191-Q235 HydrophobicContact CG-CB 4.39Å; P233-Q235 VanDerWaalsContact C-N 3.26Å; P233-Q235 PolarHBondContact O-N 3.45Å; Q235-C237 VanDerWaalsContact C-N 3.29Å
236	Q	98.3	Very high	98.3	Very high	43 Å²	43	7.5 Å²	7.5	20%	0.201	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-90.6	3.9	175.2	-60	179.9	-5.7	0	0	112.5	N193 K195 A196 P233 P234	N193-Q236 WeakPolarHBondContact O-CA 3.41Å; N193-Q236 WeakPolarHBondContact O-CG 3.41Å; K195-Q236 HydrophobicContact CB-CB 4.04Å; K195-Q236 HydrophobicContact CG-CB 4.06Å; K195-Q236 HydrophobicContact CG-CG 4.21Å; K195-Q236 PolarHBondContact N-O 2.88Å; A196-Q236 PolarHBondContact N-O 3.28Å; P233-Q236 HydrophobicContact CB-CB 4.48Å; P233-Q236 HydrophobicContact CB-CG 4.04Å; P233-Q236 WeakPolarHBondContact O-CB 3.45Å; P233-Q236 PolarHBondContact O-N 2.95Å; P234-Q236 PolarHBondContact O-N 2.73Å
237	C	98.6	Very high	98.3	Very high	8 Å²	8	10.7 Å²	10.7	5%	0.054	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.1	-175.8	-67.1	0	0	0	0	110.6	A196 L223 P233 P234 Q235	A196-C237 CarbonylContact O-C 3.31Å; A196-C237 WeakPolarHBondContact O-CA 3.47Å; L223-C237 HydrophobicContact CB-CB 4.18Å; L223-C237 HydrophobicContact CD1-CB 4.05Å; L223-C237 HydrophobicContact CD2-CB 3.81Å; L223-C237 HydrophobicContact CG-CB 4.22Å; P233-C237 PolarHBondContact O-SG 3.14Å; P234-C237 WeakPolarHBondContact O-CB 3.46Å; P234-C237 PolarHBondContact O-N 3.17Å; Q235-C237 VanDerWaalsContact C-N 3.29Å
238	L	98.7	Very high	98.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	109.8	178.2	165.1	59.8	0	0	0	110.5	L172 L186 W189 I194 A196 I197 V198 V240 Y285	L172-L238 HydrophobicContact CB-CD1 4.08Å; L186-L238 HydrophobicContact CD2-CD2 4.45Å; W189-L238 HydrophobicContact CD2-CD1 3.54Å; W189-L238 HydrophobicContact CE3-CD1 3.72Å; W189-L238 HydrophobicContact CG-CD1 4.06Å; W189-L238 HydrophobicContact CH2-CD1 4.05Å; W189-L238 HydrophobicContact CZ2-CD1 3.89Å; W189-L238 HydrophobicContact CZ3-CD1 3.98Å; I194-L238 HydrophobicContact CD1-CB 4.08Å; I194-L238 HydrophobicContact CG1-CB 4.21Å; I194-L238 HydrophobicContact CG1-CD2 4.41Å; I194-L238 HydrophobicContact CG2-CB 3.8Å; I194-L238 HydrophobicContact CG2-CD2 4.45Å; A196-L238 PolarHBondContact O-N 2.92Å; I197-L238 WeakPolarHBondContact CA-O 3.39Å; I197-L238 HydrophobicContact CD1-CD2 4Å; I197-L238 HydrophobicContact CD1-CG 4.49Å; I197-L238 HydrophobicContact CG1-CB 4.02Å; I197-L238 HydrophobicContact CG1-CD2 4.24Å; I197-L238 HydrophobicContact CG1-CG 4.25Å; V198-L238 PolarHBondContact N-O 2.91Å; L238-V240 HydrophobicContact CD1-CG2 4.27Å; L238-V240 HydrophobicContact CD2-CG2 4.3Å; L238-V240 HydrophobicContact CG-CG2 3.85Å; L238-Y285 HydrophobicContact CD2-CE2 4Å
239	P	98.6	Very high	98.2	Very high	10 Å²	10	17.2 Å²	17.2	7%	0.065	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133.9	171.6	14.1	-6.8	0	0	0	110.3	G171 L172 M216 P219 V220 L223	G171-P239 CarbonylContact C-O 3.33Å; G171-P239 WeakPolarHBondContact CA-O 3.39Å; L172-P239 PolarHBondContact N-O 2.68Å; M216-P239 HydrophobicContact SD-CB 4.23Å; P219-P239 HydrophobicContact CB-CB 3.59Å; V220-P239 HydrophobicContact CG2-CB 3.98Å; V220-P239 HydrophobicContact CG2-CG 3.96Å; L223-P239 HydrophobicContact CD1-CB 3.8Å; L223-P239 HydrophobicContact CD1-CG 3.92Å
240	V	98.9	Very high	98.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139.9	179.9	-178.7	0	0	0	0	110.7	L172 I174 I197 V198 V199 T200 L238 L242 F277	L172-V240 HydrophobicContact CB-CG2 4.48Å; L172-V240 WeakPolarHBondContact O-CA 3.49Å; I174-V240 HydrophobicContact CD1-CG1 3.9Å; I174-V240 HydrophobicContact CG1-CG1 4.44Å; I197-V240 HydrophobicContact CG2-CB 4.29Å; I197-V240 HydrophobicContact CG2-CG2 3.75Å; V198-V240 PolarHBondContact O-N 3.32Å; V199-V240 WeakPolarHBondContact CA-O 3.37Å; V199-V240 HydrophobicContact CB-CB 4.16Å; V199-V240 HydrophobicContact CG2-CB 4.01Å; V199-V240 HydrophobicContact CG2-CG1 3.91Å; T200-V240 PolarHBondContact N-O 2.78Å; L238-V240 HydrophobicContact CD1-CG2 4.27Å; L238-V240 HydrophobicContact CD2-CG2 4.3Å; L238-V240 HydrophobicContact CG-CG2 3.85Å; V240-L242 HydrophobicContact CG1-CD2 3.9Å; V240-F277 HydrophobicContact CB-CE2 4.46Å; V240-F277 HydrophobicContact CG1-CE2 3.83Å; V240-F277 HydrophobicContact CG1-CZ 4.22Å; V240-F277 HydrophobicContact CG2-CE2 4.33Å; V240-F277 HydrophobicContact CG2-CZ 4.49Å
241	L	98.7	Very high	98.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.5	167.3	-177	129.4	0	0	0	110	L172 F173 I174 T200 S213 M216 D243	L172-L241 PolarHBondContact O-N 2.89Å; F173-L241 HydrophobicContact CD1-CB 4.29Å; F173-L241 HydrophobicContact CD1-CD2 3.88Å; F173-L241 HydrophobicContact CE1-CD2 4.35Å; I174-L241 PolarHBondContact N-O 3.27Å; T200-L241 HydrophobicContact CG2-CD1 3.93Å; T200-L241 HydrophobicContact CG2-CG 4.45Å; T200-L241 CarbonylContact O-C 3.49Å; T200-L241 WeakPolarHBondContact O-CA 3.21Å; S213-L241 VanDerWaalsContact OG-CD2 3.29Å; S213-L241 WeakPolarHBondContact OG-CD2 3.4Å; M216-L241 HydrophobicContact CB-CB 4.4Å; M216-L241 HydrophobicContact CB-CD1 4.05Å; M216-L241 HydrophobicContact CE-CB 3.47Å; M216-L241 VanDerWaalsContact CE-CB 3.47Å; M216-L241 VanDerWaalsContact N-CD1 3.28Å; M216-L241 HydrophobicContact SD-CB 4.19Å; L241-D243 HydrophobicContact CD2-CB 3.95Å
242	L	98.8	Very high	98.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	100	175.1	-55	-176.1	0	0	0	109.6	I174 V199 T200 D201 V240 V244 I274 F277	I174-L242 HydrophobicContact CB-CD2 3.83Å; I174-L242 HydrophobicContact CD1-CD2 4.19Å; I174-L242 HydrophobicContact CG2-CD2 4.21Å; I174-L242 CarbonylContact O-C 3.53Å; I174-L242 VanDerWaalsContact O-CA 3.28Å; I174-L242 WeakPolarHBondContact O-CA 3.36Å; V199-L242 HydrophobicContact CG2-CD1 3.83Å; V199-L242 HydrophobicContact CG2-CD2 4.21Å; V199-L242 HydrophobicContact CG2-CG 3.64Å; T200-L242 PolarHBondContact O-N 3.11Å; D201-L242 WeakPolarHBondContact CA-O 3.49Å; D201-L242 HydrophobicContact CB-CB 4.39Å; V240-L242 HydrophobicContact CG1-CD2 3.9Å; L242-V244 PolarHBondContact O-N 3.2Å; L242-I274 HydrophobicContact CD1-CD1 3.35Å; L242-F277 HydrophobicContact CD2-CD2 4.14Å; L242-F277 HydrophobicContact CD2-CE2 4.46Å; L242-F277 HydrophobicContact CD2-CG 4.39Å
243	D	98.7	Very high	98.2	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.027	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	107.1	179.1	-165.5	-14.7	0	0	0	110.8	I174 T175 I176 S213 L241 G245 G259 L260	I174-D243 PolarHBondContact O-N 2.84Å; T175-D243 CarbonylContact C-O 3.24Å; T175-D243 VanDerWaalsContact CA-O 3.23Å; T175-D243 WeakPolarHBondContact CA-O 3.28Å; T175-D243 HydrophobicContact CG2-CB 4.36Å; I176-D243 PolarHBondContact N-O 3.09Å; S213-D243 VanDerWaalsContact OG-CG 3.25Å; S213-D243 PolarHBondContact OG-OD2 3.22Å; L241-D243 HydrophobicContact CD2-CB 3.95Å; D243-G245 PolarHBondContact OD1-N 2.84Å; D243-G259 WeakPolarHBondContact OD2-CA 3.47Å; D243-L260 HydrophobicContact CB-CD1 4.45Å; D243-L260 HydrophobicContact CB-CG 4.48Å; D243-L260 WeakPolarHBondContact O-CD1 3.29Å; D243-L260 PolarHBondContact OD2-N 2.9Å
244	V	98.6	Very high	98.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.			trans	-110.4	15.2	175.9	-57.9	0	0	0	0	111.9	I176 L242 H262 R264 I265 Y270 L273	I176-V244 HydrophobicContact CB-CB 4.37Å; I176-V244 HydrophobicContact CB-CG1 4.16Å; I176-V244 HydrophobicContact CD1-CG1 4.49Å; L242-V244 PolarHBondContact O-N 3.2Å; V244-H262 PolarHBondContact O-CE1 2.88Å; V244-R264 HydrophobicContact CG2-CB 4.43Å; V244-R264 HydrophobicContact CG2-CG 4.31Å; V244-R264 CarbonylContact O-C 3.59Å; V244-R264 VanDerWaalsContact O-CA 3.31Å; V244-R264 WeakPolarHBondContact O-CA 3.49Å; V244-I265 PolarHBondContact O-N 2.9Å; V244-Y270 HydrophobicContact CB-CD2 4.25Å; V244-Y270 HydrophobicContact CG1-CD2 3.88Å; V244-Y270 HydrophobicContact CG1-CE2 4.15Å; V244-Y270 HydrophobicContact CG2-CD2 3.94Å; V244-Y270 HydrophobicContact CG2-CE2 3.94Å; V244-L273 HydrophobicContact CG1-CD2 3.66Å
245	G	98.5	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.193	C	C	.	.			trans	99.6	-178.3	-167	0	0	0	0	0	112.8	D243 H262 R264	D243-G245 PolarHBondContact OD1-N 2.84Å; G245-H262 CarbonylContact C-O 3.55Å; G245-H262 VanDerWaalsContact CA-O 3.24Å; G245-H262 WeakPolarHBondContact CA-O 3.47Å; G245-R264 VanDerWaalsContact O-CG 3.25Å; G245-R264 WeakPolarHBondContact O-CG 3.46Å
246	T	98.6	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.204	C	C	.	.			trans	-140.2	140	174.9	-177.3	0	0	0	0	110.8	D210 N248 L251 L252 Y257 H262 K263	D210-T246 PolarHBondContact OD1-OG1 3.39Å; D210-T246 PolarHBondContact OD2-OG1 2.74Å; T246-N248 VanDerWaalsContact C-N 3.29Å; T246-N248 WeakPolarHBondContact OG1-CB 3.49Å; T246-N248 PolarHBondContact OG1-N 2.79Å; T246-L251 HydrophobicContact CG2-CB 4.13Å; T246-L252 HydrophobicContact CG2-CD2 3.78Å; T246-L252 HydrophobicContact CG2-CG 4.1Å; T246-Y257 HydrophobicContact CG2-CE1 3.86Å; T246-Y257 WeakPolarHBondContact CG2-OH 3.36Å; T246-H262 PolarHBondContact N-O 3.31Å; T246-K263 WeakPolarHBondContact O-CA 3.38Å
247	D	98.5	Very high	97.8	Very high	67 Å²	67	34.9 Å²	34.9	36%	0.358	20%	0.197	S	C	.	.			trans	-85.6	-7.9	175	-67	-33	0	0	0	111.8	D210 Q249 K263 R264 R266	D210-D247 PolarHBondContact OD2-N 3.39Å; D247-Q249 PolarHBondContact O-N 3.43Å; D247-K263 HydrophobicContact CB-CD 4.46Å; D247-K263 PolarHBondContact O-NZ 3.44Å; D247-K263 WeakPolarHBondContact OD1-CD 3.23Å; D247-R264 PolarHBondContact OD1-N 3.12Å; D247-R266 IonicContact OD2-CZ 2.68Å; D247-R266 IonicContact OD2-NE 3.35Å; D247-R266 IonicContact OD2-NH2 3.18Å; D247-R266 PolarHBondContact OD2-NH2 2.63Å
248	N	98	Very high	97.6	Very high	45 Å²	45	38 Å²	38	24%	0.241	21%	0.212	C	C	.	.			trans	-71.3	105.6	176.9	-172.8	-25.6	0	0	0	111.7	D210 T246 S250 L251 L252	D210-N248 HydrophobicContact CB-CB 4.4Å; D210-N248 WeakPolarHBondContact O-CB 3.2Å; D210-N248 PolarHBondContact O-ND2 2.79Å; T246-N248 VanDerWaalsContact C-N 3.29Å; T246-N248 WeakPolarHBondContact OG1-CB 3.49Å; T246-N248 PolarHBondContact OG1-N 2.79Å; N248-S250 VanDerWaalsContact C-N 3.3Å; N248-S250 PolarHBondContact O-N 3.23Å; N248-S250 WeakPolarHBondContact OD1-CB 3.44Å; N248-S250 PolarHBondContact OD1-N 2.81Å; N248-L251 HydrophobicContact CB-CB 4.29Å; N248-L251 HydrophobicContact CB-CD1 4.05Å; N248-L251 HydrophobicContact CB-CG 4.16Å; N248-L251 PolarHBondContact O-N 3.13Å; N248-L251 PolarHBondContact OD1-N 3.48Å; N248-L252 PolarHBondContact O-N 3.15Å
249	Q	98.2	Very high	97.6	Very high	92 Å²	92	38.7 Å²	38.7	43%	0.43	22%	0.219	S	C	.	.	H	α-helix	trans	-61.8	-36.7	-177.9	-167.1	58.5	43.8	0	0	113	D247 L251 L252 D253	D247-Q249 PolarHBondContact O-N 3.43Å; Q249-L251 PolarHBondContact O-N 3.33Å; Q249-L252 PolarHBondContact O-N 3.48Å; Q249-L252 VanDerWaalsContact O-N 3.17Å; Q249-D253 PolarHBondContact NE2-OD1 3.02Å; Q249-D253 PolarHBondContact NE2-OD2 2.96Å; Q249-D253 VanDerWaalsContact O-CG 3.24Å; Q249-D253 PolarHBondContact O-N 2.52Å
250	S	97.3	Very high	97.6	Very high	95 Å²	95	39.9 Å²	39.9	66%	0.664	23%	0.225	S	C	*	.	H	α-helix	trans	-62	-34.1	178.9	-58	0	0	0	0	112.3	N248 D254	N248-S250 VanDerWaalsContact C-N 3.3Å; N248-S250 PolarHBondContact O-N 3.23Å; N248-S250 WeakPolarHBondContact OD1-CB 3.44Å; N248-S250 PolarHBondContact OD1-N 2.81Å; S250-D254 WeakPolarHBondContact O-CB 3.35Å; S250-D254 PolarHBondContact O-N 3Å; S250-D254 VanDerWaalsContact O-N 3.16Å
251	L	97.5	Very high	97.5	Very high	15 Å²	15	45.1 Å²	45.1	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-76	-36.5	175.4	-66.5	-179.6	0	0	0	112.5	L211 Y214 T246 N248 Q249 D253 D254 Y257	L211-L251 WeakPolarHBondContact O-CD1 3.33Å; Y214-L251 HydrophobicContact CD2-CD2 3.79Å; Y214-L251 HydrophobicContact CE2-CD2 3.64Å; T246-L251 HydrophobicContact CG2-CB 4.13Å; N248-L251 HydrophobicContact CB-CB 4.29Å; N248-L251 HydrophobicContact CB-CD1 4.05Å; N248-L251 HydrophobicContact CB-CG 4.16Å; N248-L251 PolarHBondContact O-N 3.13Å; N248-L251 PolarHBondContact OD1-N 3.48Å; Q249-L251 PolarHBondContact O-N 3.33Å; L251-D253 VanDerWaalsContact C-N 3.26Å; L251-D253 PolarHBondContact O-N 3.49Å; L251-D254 PolarHBondContact O-N 3.02Å; L251-Y257 HydrophobicContact CB-CD2 3.91Å; L251-Y257 HydrophobicContact CB-CE2 4.06Å; L251-Y257 HydrophobicContact CB-CG 4.13Å; L251-Y257 HydrophobicContact CD1-CD2 4.29Å; L251-Y257 HydrophobicContact CD1-CE2 3.89Å; L251-Y257 HydrophobicContact CD2-CD2 4.01Å; L251-Y257 HydrophobicContact CD2-CE2 4.42Å; L251-Y257 HydrophobicContact CG-CD2 4.29Å; L251-Y257 HydrophobicContact CG-CE2 4.35Å; L251-Y257 WeakPolarHBondContact O-CB 3.4Å
252	L	98.1	Very high	97.5	Very high	26 Å²	26	47.8 Å²	47.8	14%	0.136	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-38.1	175.3	-65.4	176	0	0	0	111.8	T246 N248 Q249 K263	T246-L252 HydrophobicContact CG2-CD2 3.78Å; T246-L252 HydrophobicContact CG2-CG 4.1Å; N248-L252 PolarHBondContact O-N 3.15Å; Q249-L252 PolarHBondContact O-N 3.48Å; Q249-L252 VanDerWaalsContact O-N 3.17Å; L252-K263 HydrophobicContact CD1-CD 3.86Å; L252-K263 VanDerWaalsContact CD1-NZ 3.31Å
253	D	97.8	Very high	97.5	Very high	112 Å²	112	52 Å²	52	60%	0.599	28%	0.279	S	S	*	.	H	α-helix	trans	-80.3	-18.7	179.4	-59.9	-22.5	0	0	0	112.7	Q249 L251 P255	Q249-D253 PolarHBondContact NE2-OD1 3.02Å; Q249-D253 PolarHBondContact NE2-OD2 2.96Å; Q249-D253 VanDerWaalsContact O-CG 3.24Å; Q249-D253 PolarHBondContact O-N 2.52Å; L251-D253 VanDerWaalsContact C-N 3.26Å; L251-D253 PolarHBondContact O-N 3.49Å; D253-P255 WeakPolarHBondContact O-CD 3.29Å
254	D	96.3	Very high	97.5	Very high	45 Å²	45	52.5 Å²	52.5	24%	0.241	28%	0.28	C	S	.	.			trans	-73.8	118.1	-178.1	-178.8	3.6	0	0	0	111.3	Y214 S250 L251 L256 Y257 K261	Y214-D254 PolarHBondContact OH-OD2 3.36Å; S250-D254 WeakPolarHBondContact O-CB 3.35Å; S250-D254 PolarHBondContact O-N 3Å; S250-D254 VanDerWaalsContact O-N 3.16Å; L251-D254 PolarHBondContact O-N 3.02Å; D254-L256 PolarHBondContact O-N 2.79Å; D254-L256 WeakPolarHBondContact OD1-CB 3.44Å; D254-L256 PolarHBondContact OD1-N 3.17Å; D254-Y257 WeakPolarHBondContact O-CB 3.29Å; D254-Y257 PolarHBondContact O-N 2.93Å; D254-K261 WeakPolarHBondContact O-CE 3.44Å; D254-K261 PolarHBondContact O-NZ 2.93Å
255	P	94.6	Very high	97.5	Very high	111 Å²	111	54.4 Å²	54.4	72%	0.721	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.8	176.2	27.5	-35.7	0	0	0	113.7	D253	D253-P255 WeakPolarHBondContact O-CD 3.29Å
256	L	94.6	Very high	97.4	Very high	90 Å²	90	58.9 Å²	58.9	47%	0.471	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-6.2	179.7	-56.1	-179.8	0	0	0	113.3	L164 Y214 D254 I258	L164-L256 HydrophobicContact CD2-CD1 3.51Å; L164-L256 HydrophobicContact CG-CD1 4.26Å; Y214-L256 PolarHBondContact OH-O 2.8Å; D254-L256 PolarHBondContact O-N 2.79Å; D254-L256 WeakPolarHBondContact OD1-CB 3.44Å; D254-L256 PolarHBondContact OD1-N 3.17Å; L256-I258 WeakPolarHBondContact O-CG2 3.4Å; L256-I258 PolarHBondContact O-N 3.46Å
257	Y	96.4	Very high	97.3	Very high	12 Å²	12	61 Å²	61	5%	0.047	33%	0.328	C	S	.	.			trans	-61.6	126.8	176.6	-176.5	-120.1	0	0	0	111.3	G212 S213 Y214 T246 L251 D254 G259 K261	G212-Y257 WeakPolarHBondContact CA-OH 3.4Å; S213-Y257 PolarHBondContact N-OH 2.94Å; S213-Y257 VanDerWaalsContact N-OH 3.11Å; Y214-Y257 HydrophobicContact CD1-CD2 4.01Å; Y214-Y257 HydrophobicContact CD1-CE2 4.16Å; Y214-Y257 AromaticContact CE1-CD2 3.78Å; Y214-Y257 HydrophobicContact CE1-CD2 3.78Å; Y214-Y257 HydrophobicContact CE1-CE2 4.38Å; Y214-Y257 HydrophobicContact CE2-CD2 4.34Å; Y214-Y257 HydrophobicContact CG-CD2 4.41Å; Y214-Y257 HydrophobicContact CG-CE2 4.39Å; Y214-Y257 AromaticContact CZ-CD2 3.93Å; Y214-Y257 WeakPolarHBondContact OH-CA 3.49Å; Y214-Y257 PolarHBondContact OH-N 3.25Å; T246-Y257 HydrophobicContact CG2-CE1 3.86Å; T246-Y257 WeakPolarHBondContact CG2-OH 3.36Å; L251-Y257 HydrophobicContact CB-CD2 3.91Å; L251-Y257 HydrophobicContact CB-CE2 4.06Å; L251-Y257 HydrophobicContact CB-CG 4.13Å; L251-Y257 HydrophobicContact CD1-CD2 4.29Å; L251-Y257 HydrophobicContact CD1-CE2 3.89Å; L251-Y257 HydrophobicContact CD2-CD2 4.01Å; L251-Y257 HydrophobicContact CD2-CE2 4.42Å; L251-Y257 HydrophobicContact CG-CD2 4.29Å; L251-Y257 HydrophobicContact CG-CE2 4.35Å; L251-Y257 WeakPolarHBondContact O-CB 3.4Å; D254-Y257 WeakPolarHBondContact O-CB 3.29Å; D254-Y257 PolarHBondContact O-N 2.93Å; Y257-G259 VanDerWaalsContact CE1-CA 3.42Å; Y257-K261 HydrophobicContact CD1-CG 4.18Å
258	I	95.1	Very high	97.2	Very high	72 Å²	72	65.1 Å²	65.1	37%	0.369	34%	0.343	S	S	.	.			trans	-94.9	-4.2	-173.5	69.6	-178.8	0	0	0	113.7	Y162 F166 Y214 L256	Y162-I258 HydrophobicContact CD1-CD1 3.81Å; Y162-I258 HydrophobicContact CE1-CD1 4.14Å; F166-I258 HydrophobicContact CD2-CD1 4.13Å; F166-I258 HydrophobicContact CE2-CD1 4.45Å; Y214-I258 HydrophobicContact CD1-CD1 4.22Å; Y214-I258 HydrophobicContact CD1-CG1 3.94Å; Y214-I258 HydrophobicContact CE1-CD1 4.31Å; Y214-I258 HydrophobicContact CE1-CG1 3.87Å; Y214-I258 HydrophobicContact CE1-CG2 4.39Å; L256-I258 WeakPolarHBondContact O-CG2 3.4Å; L256-I258 PolarHBondContact O-N 3.46Å
259	G	97.2	Very high	97.2	Very high	15 Å²	15	67.3 Å²	67.3	16%	0.155	35%	0.352	C	S	.	.	S	Bend	trans	-95.4	-175.5	179.9	0	0	0	0	0	114.1	D243 Y257 K261	D243-G259 WeakPolarHBondContact OD2-CA 3.47Å; Y257-G259 VanDerWaalsContact CE1-CA 3.42Å; G259-K261 PolarHBondContact O-N 3.34Å
260	L	98.4	Very high	97.2	Very high	35 Å²	35	63 Å²	63	18%	0.183	33%	0.331	C	S	.	.			trans	-65.5	122.9	176.7	-65.3	178.8	0	0	0	111.7	I176 D243 H262	I176-L260 HydrophobicContact CG2-CD1 3.87Å; D243-L260 HydrophobicContact CB-CD1 4.45Å; D243-L260 HydrophobicContact CB-CG 4.48Å; D243-L260 WeakPolarHBondContact O-CD1 3.29Å; D243-L260 PolarHBondContact OD2-N 2.9Å; L260-H262 PolarHBondContact O-N 3.04Å
261	K	97.9	Very high	97.3	Very high	111 Å²	111	60.4 Å²	60.4	48%	0.483	31%	0.31	S	S	.	.	S	Bend	trans	-84.3	53.4	-178.8	-67.2	-166.3	170.8	-157.1	0	113.2	D254 Y257 G259	D254-K261 WeakPolarHBondContact O-CE 3.44Å; D254-K261 PolarHBondContact O-NZ 2.93Å; Y257-K261 HydrophobicContact CD1-CG 4.18Å; G259-K261 PolarHBondContact O-N 3.34Å
262	H	98.6	Very high	97.3	Very high	55 Å²	55	62.8 Å²	62.8	26%	0.255	32%	0.321	S	S	.	.	S	Bend	trans	-144.8	164.3	169.4	63.9	75.7	0	0	0	111.3	H177 V244 G245 T246 L260	H177-H262 AromaticContact NE2-NE2 3.63Å; V244-H262 PolarHBondContact O-CE1 2.88Å; G245-H262 CarbonylContact C-O 3.55Å; G245-H262 VanDerWaalsContact CA-O 3.24Å; G245-H262 WeakPolarHBondContact CA-O 3.47Å; T246-H262 PolarHBondContact N-O 3.31Å; L260-H262 PolarHBondContact O-N 3.04Å
263	K	98.6	Very high	97.4	Very high	90 Å²	90	61.5 Å²	61.5	39%	0.391	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-61.8	155	174.7	-64.8	-63.6	178.8	-165.8	0	111.4	T246 D247 L252 I265	T246-K263 WeakPolarHBondContact O-CA 3.38Å; D247-K263 HydrophobicContact CB-CD 4.46Å; D247-K263 PolarHBondContact O-NZ 3.44Å; D247-K263 WeakPolarHBondContact OD1-CD 3.23Å; L252-K263 HydrophobicContact CD1-CD 3.86Å; L252-K263 VanDerWaalsContact CD1-NZ 3.31Å; K263-I265 PolarHBondContact O-N 3.19Å
264	R	98.6	Very high	97.4	Very high	14 Å²	14	56.2 Å²	56.2	5%	0.053	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-61	130.8	-174.7	-75	177.8	173.9	-83.7	-5.3	111.6	D201 G202 E203 D210 V244 G245 D247 R266	D201-R264 PolarHBondContact O-NH1 2.63Å; D201-R264 PolarHBondContact O-NH2 3.19Å; D201-R264 IonicContact OD2-NH1 3.15Å; G202-R264 VanDerWaalsContact C-NH2 3.3Å; G202-R264 PolarHBondContact O-NH2 3.19Å; E203-R264 VanDerWaalsContact CA-NH2 3.28Å; D210-R264 VanDerWaalsContact CG-NE 3.34Å; D210-R264 IonicContact OD1-CZ 3.25Å; D210-R264 IonicContact OD1-NE 3.96Å; D210-R264 PolarHBondContact OD1-NE 3.41Å; D210-R264 IonicContact OD1-NH2 2.93Å; D210-R264 PolarHBondContact OD1-NH2 3.34Å; D210-R264 IonicContact OD2-CZ 2.6Å; D210-R264 IonicContact OD2-NE 3.77Å; D210-R264 PolarHBondContact OD2-NE 3.16Å; D210-R264 IonicContact OD2-NH2 2.69Å; V244-R264 HydrophobicContact CG2-CB 4.43Å; V244-R264 HydrophobicContact CG2-CG 4.31Å; V244-R264 CarbonylContact O-C 3.59Å; V244-R264 VanDerWaalsContact O-CA 3.31Å; V244-R264 WeakPolarHBondContact O-CA 3.49Å; G245-R264 VanDerWaalsContact O-CG 3.25Å; G245-R264 WeakPolarHBondContact O-CG 3.46Å; D247-R264 PolarHBondContact OD1-N 3.12Å; R264-R266 VanDerWaalsContact CB-NE 3.3Å
265	I	98.3	Very high	97.5	Very high	40 Å²	40	56.8 Å²	56.8	21%	0.205	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-74.3	132.5	169.1	-66.2	-176.9	0	0	0	108.8	I176 V244 K263 E269	I176-I265 HydrophobicContact CB-CD1 4.36Å; I176-I265 HydrophobicContact CD1-CG2 4.31Å; I176-I265 HydrophobicContact CG1-CB 4.15Å; I176-I265 HydrophobicContact CG1-CD1 3.75Å; I176-I265 HydrophobicContact CG1-CG1 4.48Å; I176-I265 HydrophobicContact CG1-CG2 4.06Å; I176-I265 HydrophobicContact CG2-CD1 3.78Å; V244-I265 PolarHBondContact O-N 2.9Å; K263-I265 PolarHBondContact O-N 3.19Å; I265-E269 HydrophobicContact CG2-CB 3.84Å
266	R	97.3	Very high	97.7	Very high	95 Å²	95	53.5 Å²	53.5	36%	0.358	26%	0.264	S	S	.	.			trans	-127.8	172.2	-174	-53.1	-59.1	-174.3	159.6	10.3	111.2	E203 D247 R264	E203-R266 VanDerWaalsContact CD-NH2 3.27Å; E203-R266 IonicContact OE1-CZ 2.69Å; E203-R266 VanDerWaalsContact OE1-CZ 3.23Å; E203-R266 IonicContact OE1-NH1 3.91Å; E203-R266 PolarHBondContact OE1-NH1 3.47Å; E203-R266 IonicContact OE1-NH2 2.76Å; E203-R266 PolarHBondContact OE1-NH2 3.01Å; E203-R266 IonicContact OE2-CZ 2.91Å; E203-R266 IonicContact OE2-NH1 2.66Å; E203-R266 PolarHBondContact OE2-NH1 2.84Å; E203-R266 IonicContact OE2-NH2 3.72Å; D247-R266 IonicContact OD2-CZ 2.68Å; D247-R266 IonicContact OD2-NE 3.35Å; D247-R266 IonicContact OD2-NH2 3.18Å; D247-R266 PolarHBondContact OD2-NH2 2.63Å; R264-R266 VanDerWaalsContact CB-NE 3.3Å
267	G	95.9	Very high	97.9	Very high	44 Å²	44	49.2 Å²	49.2	45%	0.454	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	-143.4	174	0	0	0	0	0	112.3	E269 Y270 D271	G267-E269 VanDerWaalsContact C-N 3.3Å; G267-E269 PolarHBondContact O-N 3.13Å; G267-Y270 WeakPolarHBondContact O-CB 3.25Å; G267-Y270 PolarHBondContact O-N 3.24Å; G267-D271 PolarHBondContact O-N 3.1Å; G267-D271 VanDerWaalsContact O-N 3.08Å
268	K	97.4	Very high	98	Very high	154 Å²	154	48.7 Å²	48.7	67%	0.67	24%	0.239	S	C	*	.	H	α-helix	trans	-57.3	-40.5	-169	-166.7	-176.4	-174.4	-111.1	0	113.2	D271 E272	K268-D271 PolarHBondContact O-N 3.45Å; K268-E272 VanDerWaalsContact CE-OE1 3.24Å; K268-E272 WeakPolarHBondContact CE-OE1 3.5Å; K268-E272 HydrophobicContact CG-CG 4.41Å; K268-E272 IonicContact NZ-OE1 2.75Å; K268-E272 PolarHBondContact NZ-OE1 2.89Å; K268-E272 VanDerWaalsContact O-CG 3.31Å; K268-E272 WeakPolarHBondContact O-CG 3.27Å; K268-E272 PolarHBondContact O-N 3.26Å
269	E	97.8	Very high	98.2	Very high	90 Å²	90	49 Å²	49	42%	0.421	24%	0.24	S	C	.	.	H	α-helix	trans	-67	-40.6	-177.2	-58.2	-170.5	172.9	0	0	112.4	I176 I265 G267 D271 L273	I176-E269 HydrophobicContact CD1-CB 4.46Å; I265-E269 HydrophobicContact CG2-CB 3.84Å; G267-E269 VanDerWaalsContact C-N 3.3Å; G267-E269 PolarHBondContact O-N 3.13Å; E269-D271 VanDerWaalsContact C-N 3.34Å; E269-L273 PolarHBondContact O-N 2.56Å; E269-L273 VanDerWaalsContact O-N 3.14Å
270	Y	98.4	Very high	98.3	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-45.6	172.5	178.3	-84.5	0	0	0	110.5	D201 V244 G267 E272 L273 I274 F296 I304	D201-Y270 PolarHBondContact OD2-OH 2.9Å; V244-Y270 HydrophobicContact CB-CD2 4.25Å; V244-Y270 HydrophobicContact CG1-CD2 3.88Å; V244-Y270 HydrophobicContact CG1-CE2 4.15Å; V244-Y270 HydrophobicContact CG2-CD2 3.94Å; V244-Y270 HydrophobicContact CG2-CE2 3.94Å; G267-Y270 WeakPolarHBondContact O-CB 3.25Å; G267-Y270 PolarHBondContact O-N 3.24Å; Y270-E272 VanDerWaalsContact C-N 3.35Å; Y270-E272 PolarHBondContact O-N 3.45Å; Y270-L273 WeakPolarHBondContact O-CB 3.47Å; Y270-L273 PolarHBondContact O-N 3Å; Y270-I274 HydrophobicContact CD1-CG1 4.03Å; Y270-I274 HydrophobicContact CE1-CD1 4.12Å; Y270-I274 HydrophobicContact CE1-CG1 3.68Å; Y270-I274 WeakPolarHBondContact O-CG1 3.41Å; Y270-I274 PolarHBondContact O-N 3.3Å; Y270-F296 WeakPolarHBondContact OH-CD1 3.17Å; Y270-F296 VanDerWaalsContact OH-CE1 3.32Å; Y270-F296 WeakPolarHBondContact OH-CE1 3.31Å; Y270-I304 HydrophobicContact CE1-CD1 4.18Å
271	D	98.3	Very high	98.3	Very high	41 Å²	41	47 Å²	47	22%	0.219	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-39.6	-178.4	-70.3	-13.2	0	0	0	112.9	G267 K268 E269 I274 D275 R303	G267-D271 PolarHBondContact O-N 3.1Å; G267-D271 VanDerWaalsContact O-N 3.08Å; K268-D271 PolarHBondContact O-N 3.45Å; E269-D271 VanDerWaalsContact C-N 3.34Å; D271-I274 PolarHBondContact O-N 3.48Å; D271-D275 WeakPolarHBondContact O-CB 3.24Å; D271-D275 PolarHBondContact O-N 2.94Å; D271-R303 IonicContact OD1-CZ 2.67Å; D271-R303 IonicContact OD1-NH1 3.76Å; D271-R303 PolarHBondContact OD1-NH1 2.9Å; D271-R303 IonicContact OD1-NH2 2.72Å; D271-R303 PolarHBondContact OD1-NH2 3.37Å; D271-R303 IonicContact OD2-CZ 3.16Å; D271-R303 IonicContact OD2-NH1 2.78Å; D271-R303 PolarHBondContact OD2-NH1 2.79Å
272	E	98.4	Very high	98.3	Very high	64 Å²	64	42 Å²	42	30%	0.299	21%	0.205	S	C	.	.	H	α-helix	trans	-63.7	-39.1	174.4	-74.5	171.1	175.7	0	0	112.1	R179 K268 Y270 D275 E276	R179-E272 IonicContact CZ-OE2 2.61Å; R179-E272 IonicContact NH1-OE2 2.57Å; R179-E272 PolarHBondContact NH1-OE2 2.81Å; K268-E272 VanDerWaalsContact CE-OE1 3.24Å; K268-E272 WeakPolarHBondContact CE-OE1 3.5Å; K268-E272 HydrophobicContact CG-CG 4.41Å; K268-E272 IonicContact NZ-OE1 2.75Å; K268-E272 PolarHBondContact NZ-OE1 2.89Å; K268-E272 VanDerWaalsContact O-CG 3.31Å; K268-E272 WeakPolarHBondContact O-CG 3.27Å; K268-E272 PolarHBondContact O-N 3.26Å; Y270-E272 VanDerWaalsContact C-N 3.35Å; Y270-E272 PolarHBondContact O-N 3.45Å; E272-D275 PolarHBondContact O-N 2.8Å; E272-E276 WeakPolarHBondContact O-CB 3.39Å; E272-E276 PolarHBondContact O-N 2.83Å
273	L	98.7	Very high	98.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-45.8	174.5	-177.5	76.1	0	0	0	111.2	I174 I176 R179 I182 V244 E269 Y270 E276 F277	I174-L273 HydrophobicContact CG2-CD1 4.43Å; I176-L273 HydrophobicContact CD1-CB 3.96Å; I176-L273 HydrophobicContact CD1-CD2 3.98Å; I176-L273 HydrophobicContact CD1-CG 4.41Å; R179-L273 HydrophobicContact CB-CD1 4.23Å; I182-L273 HydrophobicContact CD1-CD1 3.91Å; V244-L273 HydrophobicContact CG1-CD2 3.66Å; E269-L273 PolarHBondContact O-N 2.56Å; E269-L273 VanDerWaalsContact O-N 3.14Å; Y270-L273 WeakPolarHBondContact O-CB 3.47Å; Y270-L273 PolarHBondContact O-N 3Å; L273-E276 PolarHBondContact O-N 2.87Å; L273-F277 WeakPolarHBondContact O-CB 3.35Å; L273-F277 PolarHBondContact O-N 3.32Å
274	I	98.7	Very high	98.3	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-42	177.9	-53	-54.3	0	0	0	110.5	L242 Y270 D271 F277 M278 I304 Y308	L242-I274 HydrophobicContact CD1-CD1 3.35Å; Y270-I274 HydrophobicContact CD1-CG1 4.03Å; Y270-I274 HydrophobicContact CE1-CD1 4.12Å; Y270-I274 HydrophobicContact CE1-CG1 3.68Å; Y270-I274 WeakPolarHBondContact O-CG1 3.41Å; Y270-I274 PolarHBondContact O-N 3.3Å; D271-I274 PolarHBondContact O-N 3.48Å; I274-F277 PolarHBondContact O-N 2.98Å; I274-M278 HydrophobicContact CG2-CG 4.31Å; I274-M278 VanDerWaalsContact O-CG 3.26Å; I274-M278 WeakPolarHBondContact O-CG 3.27Å; I274-M278 PolarHBondContact O-N 3.13Å; I274-I304 HydrophobicContact CG1-CD1 4.45Å; I274-Y308 HydrophobicContact CG2-CD2 4.49Å; I274-Y308 HydrophobicContact CG2-CE2 3.45Å; I274-Y308 VanDerWaalsContact CG2-CE2 3.45Å; I274-Y308 WeakPolarHBondContact CG2-OH 3.15Å
275	D	98.8	Very high	98.3	Very high	57 Å²	57	43.5 Å²	43.5	31%	0.305	22%	0.217	S	C	.	.	H	α-helix	trans	-58.8	-48.8	176.5	-83.3	-36.4	0	0	0	111.6	D271 E272 F277 M278 Q279 K307 Y308	D271-D275 WeakPolarHBondContact O-CB 3.24Å; D271-D275 PolarHBondContact O-N 2.94Å; E272-D275 PolarHBondContact O-N 2.8Å; D275-F277 VanDerWaalsContact C-N 3.33Å; D275-F277 PolarHBondContact O-N 3.28Å; D275-M278 PolarHBondContact O-N 2.88Å; D275-Q279 WeakPolarHBondContact O-CB 3.26Å; D275-Q279 PolarHBondContact O-N 2.85Å; D275-K307 WeakPolarHBondContact OD1-CE 3.42Å; D275-K307 IonicContact OD1-NZ 2.97Å; D275-K307 PolarHBondContact OD1-NZ 3.23Å; D275-K307 IonicContact OD2-NZ 2.61Å; D275-K307 PolarHBondContact OD2-NZ 3.29Å; D275-Y308 PolarHBondContact N-OH 2.61Å; D275-Y308 WeakPolarHBondContact OD1-CE1 3.48Å; D275-Y308 PolarHBondContact OD1-OH 3.45Å
276	E	98.8	Very high	98.2	Very high	42 Å²	42	43.1 Å²	43.1	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-62	-41.8	176.9	-174.1	-169.7	163.5	0	0	111.5	R179 G180 H181 I182 E272 L273 Q279 A280	R179-E276 VanDerWaalsContact CA-OE2 3.25Å; R179-E276 WeakPolarHBondContact CA-OE2 3.35Å; R179-E276 WeakPolarHBondContact CG-OE2 3.5Å; G180-E276 VanDerWaalsContact C-OE1 3.27Å; G180-E276 VanDerWaalsContact CA-OE1 3.31Å; G180-E276 WeakPolarHBondContact CA-OE1 3.5Å; G180-E276 PolarHBondContact N-OE1 3.25Å; G180-E276 PolarHBondContact N-OE2 3.11Å; H181-E276 PolarHBondContact N-OE1 3.39Å; I182-E276 HydrophobicContact CB-CG 4.26Å; I182-E276 WeakPolarHBondContact CB-OE1 3.27Å; I182-E276 HydrophobicContact CD1-CB 3.99Å; I182-E276 HydrophobicContact CD1-CG 3.84Å; I182-E276 HydrophobicContact CG1-CG 4.18Å; I182-E276 WeakPolarHBondContact CG1-OE1 3.08Å; I182-E276 PolarHBondContact N-OE1 3.01Å; E272-E276 WeakPolarHBondContact O-CB 3.39Å; E272-E276 PolarHBondContact O-N 2.83Å; L273-E276 PolarHBondContact O-N 2.87Å; E276-Q279 PolarHBondContact O-N 3.26Å; E276-A280 VanDerWaalsContact O-CB 3.23Å; E276-A280 WeakPolarHBondContact O-CB 3.39Å; E276-A280 PolarHBondContact O-N 2.99Å
277	F	98.9	Very high	98.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.8	-50.6	177.7	170.1	-103.6	0	0	0	111.6	I174 I182 I197 V199 V240 L242 L273 I274 D275 Q279 A280 V281 I291	I174-F277 HydrophobicContact CD1-CD2 3.76Å; I174-F277 HydrophobicContact CD1-CE2 3.96Å; I182-F277 HydrophobicContact CD1-CB 3.92Å; I197-F277 HydrophobicContact CG2-CZ 4.18Å; V199-F277 HydrophobicContact CB-CE1 4.23Å; V199-F277 HydrophobicContact CB-CZ 4.08Å; V199-F277 HydrophobicContact CG1-CE1 4.03Å; V199-F277 HydrophobicContact CG1-CZ 4.36Å; V199-F277 HydrophobicContact CG2-CE1 4.08Å; V199-F277 HydrophobicContact CG2-CZ 3.97Å; V240-F277 HydrophobicContact CB-CE2 4.46Å; V240-F277 HydrophobicContact CG1-CE2 3.83Å; V240-F277 HydrophobicContact CG1-CZ 4.22Å; V240-F277 HydrophobicContact CG2-CE2 4.33Å; V240-F277 HydrophobicContact CG2-CZ 4.49Å; L242-F277 HydrophobicContact CD2-CD2 4.14Å; L242-F277 HydrophobicContact CD2-CE2 4.46Å; L242-F277 HydrophobicContact CD2-CG 4.39Å; L273-F277 WeakPolarHBondContact O-CB 3.35Å; L273-F277 PolarHBondContact O-N 3.32Å; I274-F277 PolarHBondContact O-N 2.98Å; D275-F277 VanDerWaalsContact C-N 3.33Å; D275-F277 PolarHBondContact O-N 3.28Å; F277-Q279 VanDerWaalsContact C-N 3.3Å; F277-Q279 PolarHBondContact O-N 2.68Å; F277-A280 PolarHBondContact O-N 3.25Å; F277-V281 HydrophobicContact CD2-CG2 3.95Å; F277-V281 HydrophobicContact CE1-CG2 4.39Å; F277-V281 HydrophobicContact CE2-CG2 3.54Å; F277-V281 HydrophobicContact CZ-CG2 3.8Å; F277-V281 WeakPolarHBondContact O-CB 3.12Å; F277-V281 VanDerWaalsContact O-CG2 3.28Å; F277-V281 WeakPolarHBondContact O-CG2 3.5Å; F277-V281 PolarHBondContact O-N 3.43Å; F277-I291 HydrophobicContact CE1-CG2 4.1Å
278	M	98.8	Very high	98.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-41.7	179.6	-65.1	-60.7	-73.6	0	0	111.5	I274 D275 T282 I291 F293 Y308 Y312 T314	I274-M278 HydrophobicContact CG2-CG 4.31Å; I274-M278 VanDerWaalsContact O-CG 3.26Å; I274-M278 WeakPolarHBondContact O-CG 3.27Å; I274-M278 PolarHBondContact O-N 3.13Å; D275-M278 PolarHBondContact O-N 2.88Å; M278-T282 PolarHBondContact O-N 2.88Å; M278-T282 PolarHBondContact O-OG1 3.48Å; M278-I291 HydrophobicContact CE-CB 4.47Å; M278-I291 HydrophobicContact CE-CD1 3.66Å; M278-I291 HydrophobicContact CE-CG2 4.43Å; M278-I291 HydrophobicContact SD-CD1 3.71Å; M278-I291 HydrophobicContact SD-CG2 4.03Å; M278-F293 HydrophobicContact CE-CE2 4.24Å; M278-F293 HydrophobicContact CE-CZ 4.15Å; M278-F293 HydrophobicContact SD-CE1 4.5Å; M278-F293 HydrophobicContact SD-CE2 4.23Å; M278-F293 HydrophobicContact SD-CZ 3.58Å; M278-F293 VanDerWaalsContact SD-CZ 3.58Å; M278-Y308 HydrophobicContact CB-CE1 4.48Å; M278-Y308 HydrophobicContact CE-CD1 4.45Å; M278-Y308 HydrophobicContact CE-CD2 4.4Å; M278-Y308 HydrophobicContact CE-CG 4.03Å; M278-Y308 HydrophobicContact CG-CD1 4.15Å; M278-Y308 HydrophobicContact CG-CD2 4.26Å; M278-Y308 HydrophobicContact CG-CE1 4.04Å; M278-Y308 HydrophobicContact CG-CE2 4.18Å; M278-Y308 HydrophobicContact CG-CG 4.27Å; M278-Y312 HydrophobicContact CB-CD2 4.41Å; M278-Y312 HydrophobicContact CB-CE1 4.14Å; M278-Y312 HydrophobicContact CB-CE2 3.98Å; M278-Y312 HydrophobicContact CE-CD1 4.17Å; M278-Y312 HydrophobicContact CE-CD2 3.7Å; M278-Y312 HydrophobicContact CE-CE2 4.41Å; M278-Y312 HydrophobicContact CE-CG 3.56Å; M278-T314 HydrophobicContact CE-CG2 4.36Å
279	Q	98.7	Very high	98.2	Very high	80 Å²	80	36.1 Å²	36.1	37%	0.374	19%	0.187	S	C	.	.	H	α-helix	trans	-66.2	-53.5	177.9	-171.3	59.3	51.2	0	0	111.5	D275 E276 F277 V281 T282 D283 Y312	D275-Q279 WeakPolarHBondContact O-CB 3.26Å; D275-Q279 PolarHBondContact O-N 2.85Å; E276-Q279 PolarHBondContact O-N 3.26Å; F277-Q279 VanDerWaalsContact C-N 3.3Å; F277-Q279 PolarHBondContact O-N 2.68Å; Q279-V281 VanDerWaalsContact C-N 3.32Å; Q279-V281 PolarHBondContact O-N 2.89Å; Q279-T282 PolarHBondContact O-N 3.26Å; Q279-T282 VanDerWaalsContact O-N 3.17Å; Q279-T282 PolarHBondContact O-OG1 3.41Å; Q279-T282 VanDerWaalsContact O-OG1 3.09Å; Q279-D283 WeakPolarHBondContact CG-OD2 3.43Å; Q279-D283 PolarHBondContact NE2-OD1 2.85Å; Q279-D283 PolarHBondContact NE2-OD2 3.39Å; Q279-D283 WeakPolarHBondContact O-CB 3.06Å; Q279-D283 VanDerWaalsContact O-CG 3.26Å; Q279-D283 PolarHBondContact O-N 3.09Å; Q279-Y312 PolarHBondContact OE1-OH 3.07Å
280	A	98.8	Very high	98.3	Very high	8 Å²	8	31.8 Å²	31.8	7%	0.066	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-39.3	-177.5	0	0	0	0	0	112.7	I182 A183 L186 E276 F277 K284	I182-A280 HydrophobicContact CB-CB 4.08Å; I182-A280 HydrophobicContact CG2-CB 3.72Å; A183-A280 HydrophobicContact CB-CB 4.43Å; L186-A280 HydrophobicContact CD1-CB 3.94Å; L186-A280 WeakPolarHBondContact CD1-O 3.27Å; E276-A280 VanDerWaalsContact O-CB 3.23Å; E276-A280 WeakPolarHBondContact O-CB 3.39Å; E276-A280 PolarHBondContact O-N 2.99Å; F277-A280 PolarHBondContact O-N 3.25Å; A280-K284 WeakPolarHBondContact O-CB 3.29Å; A280-K284 PolarHBondContact O-N 2.78Å; A280-K284 VanDerWaalsContact O-N 3.09Å
281	V	98.6	Very high	98.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-48	175.7	162.3	0	0	0	0	111.1	L186 I197 F277 Q279 K284 Y285 I291	L186-V281 HydrophobicContact CD1-CG2 4.24Å; L186-V281 HydrophobicContact CD2-CG2 4.42Å; I197-V281 HydrophobicContact CD1-CB 4.32Å; I197-V281 HydrophobicContact CD1-CG1 3.48Å; I197-V281 VanDerWaalsContact CD1-CG1 3.48Å; I197-V281 HydrophobicContact CD1-CG2 3.81Å; F277-V281 HydrophobicContact CD2-CG2 3.95Å; F277-V281 HydrophobicContact CE1-CG2 4.39Å; F277-V281 HydrophobicContact CE2-CG2 3.54Å; F277-V281 HydrophobicContact CZ-CG2 3.8Å; F277-V281 WeakPolarHBondContact O-CB 3.12Å; F277-V281 VanDerWaalsContact O-CG2 3.28Å; F277-V281 WeakPolarHBondContact O-CG2 3.5Å; F277-V281 PolarHBondContact O-N 3.43Å; Q279-V281 VanDerWaalsContact C-N 3.32Å; Q279-V281 PolarHBondContact O-N 2.89Å; V281-K284 PolarHBondContact O-N 2.84Å; V281-Y285 HydrophobicContact CG1-CD2 4.29Å; V281-Y285 WeakPolarHBondContact O-CB 3.4Å; V281-Y285 WeakPolarHBondContact O-CD2 3.38Å; V281-Y285 PolarHBondContact O-N 3.04Å; V281-I291 HydrophobicContact CB-CD1 4.23Å; V281-I291 HydrophobicContact CG1-CD1 3.61Å; V281-I291 HydrophobicContact CG1-CG1 3.98Å
282	T	97.8	Very high	98.3	Very high	6 Å²	6	29.8 Å²	29.8	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-77.2	-29.5	-177	50.7	0	0	0	0	113.7	M278 Q279 K284 G286 M287 Y312	M278-T282 PolarHBondContact O-N 2.88Å; M278-T282 PolarHBondContact O-OG1 3.48Å; Q279-T282 PolarHBondContact O-N 3.26Å; Q279-T282 VanDerWaalsContact O-N 3.17Å; Q279-T282 PolarHBondContact O-OG1 3.41Å; Q279-T282 VanDerWaalsContact O-OG1 3.09Å; T282-K284 VanDerWaalsContact C-N 3.29Å; T282-G286 CarbonylContact O-C 3.49Å; T282-G286 WeakPolarHBondContact O-CA 3.31Å; T282-G286 PolarHBondContact O-N 2.94Å; T282-M287 HydrophobicContact CG2-CE 4.47Å; T282-M287 HydrophobicContact CG2-SD 4Å; T282-Y312 HydrophobicContact CG2-CD1 3.48Å; T282-Y312 VanDerWaalsContact CG2-CD1 3.48Å; T282-Y312 HydrophobicContact CG2-CE1 3.74Å; T282-Y312 WeakPolarHBondContact OG1-CE1 3.39Å
283	D	98.3	Very high	98.3	Very high	114 Å²	114	26.8 Å²	26.8	61%	0.61	14%	0.142	S	C	*	.	H	α-helix	trans	-63	-39.2	170.3	-73.3	-21.6	0	0	0	111.1	Q279	Q279-D283 WeakPolarHBondContact CG-OD2 3.43Å; Q279-D283 PolarHBondContact NE2-OD1 2.85Å; Q279-D283 PolarHBondContact NE2-OD2 3.39Å; Q279-D283 WeakPolarHBondContact O-CB 3.06Å; Q279-D283 VanDerWaalsContact O-CG 3.26Å; Q279-D283 PolarHBondContact O-N 3.09Å
284	K	98.3	Very high	98.3	Very high	58 Å²	58	26.9 Å²	26.9	25%	0.252	14%	0.143	S	C	.	.	H	α-helix	trans	-80	-49.8	179.9	-174.2	172.1	175.7	157.4	0	113.5	L186 N187 A280 V281 T282	L186-K284 HydrophobicContact CB-CD 3.64Å; L186-K284 HydrophobicContact CD1-CB 4.33Å; L186-K284 HydrophobicContact CD1-CD 4.39Å; L186-K284 PolarHBondContact O-NZ 3.46Å; N187-K284 VanDerWaalsContact CA-NZ 3.31Å; N187-K284 PolarHBondContact OD1-NZ 3.45Å; A280-K284 WeakPolarHBondContact O-CB 3.29Å; A280-K284 PolarHBondContact O-N 2.78Å; A280-K284 VanDerWaalsContact O-N 3.09Å; V281-K284 PolarHBondContact O-N 2.84Å; T282-K284 VanDerWaalsContact C-N 3.29Å
285	Y	98.3	Very high	98.1	Very high	18 Å²	18	27 Å²	27	7%	0.071	14%	0.143	C	C	.	.	H	α-helix	trans	-105.4	-4.4	-168.7	-56.1	-57	0	0	0	113.9	L186 D192 I194 I197 L238 V281	L186-Y285 HydrophobicContact CD2-CE2 4.2Å; D192-Y285 WeakPolarHBondContact O-CD1 3.29Å; I194-Y285 HydrophobicContact CB-CD1 3.69Å; I194-Y285 HydrophobicContact CB-CD2 4Å; I194-Y285 HydrophobicContact CB-CE1 3.81Å; I194-Y285 HydrophobicContact CB-CE2 4.12Å; I194-Y285 HydrophobicContact CB-CG 3.79Å; I194-Y285 HydrophobicContact CG1-CD1 3.99Å; I194-Y285 HydrophobicContact CG1-CE1 3.56Å; I194-Y285 HydrophobicContact CG1-CE2 4.14Å; I194-Y285 HydrophobicContact CG1-CG 4.44Å; I194-Y285 HydrophobicContact CG2-CD2 4.32Å; I194-Y285 HydrophobicContact CG2-CE2 4.47Å; I194-Y285 HydrophobicContact CG2-CG 4.49Å; I197-Y285 HydrophobicContact CD1-CD2 4.4Å; L238-Y285 HydrophobicContact CD2-CE2 4Å; V281-Y285 HydrophobicContact CG1-CD2 4.29Å; V281-Y285 WeakPolarHBondContact O-CB 3.4Å; V281-Y285 WeakPolarHBondContact O-CD2 3.38Å; V281-Y285 PolarHBondContact O-N 3.04Å
286	G	97.1	Very high	98	Very high	31 Å²	31	24.3 Å²	24.3	32%	0.32	13%	0.129	S	C	.	.			trans	91.9	158.5	179.5	0	0	0	0	0	113.9	T282 N288 C289	T282-G286 CarbonylContact O-C 3.49Å; T282-G286 WeakPolarHBondContact O-CA 3.31Å; T282-G286 PolarHBondContact O-N 2.94Å; G286-N288 PolarHBondContact O-N 2.94Å; G286-N288 VanDerWaalsContact O-N 3.11Å; G286-C289 VanDerWaalsContact O-CB 3.29Å; G286-C289 WeakPolarHBondContact O-CB 3.38Å; G286-C289 PolarHBondContact O-N 3.17Å
287	M	96.8	Very high	97.7	Very high	90 Å²	90	23 Å²	23	44%	0.443	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.1	-178.7	-68.8	-56.7	-56	0	0	114.8	T282 C289 R311 Y312	T282-M287 HydrophobicContact CG2-CE 4.47Å; T282-M287 HydrophobicContact CG2-SD 4Å; M287-C289 VanDerWaalsContact C-N 3.32Å; M287-R311 WeakPolarHBondContact CE-O 3.3Å; M287-Y312 HydrophobicContact CE-CD1 3.93Å; M287-Y312 HydrophobicContact CE-CE1 4.16Å
288	N	96.3	Very high	97.1	Very high	55 Å²	55	26.1 Å²	26.1	29%	0.294	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	0.1	177.4	-65.1	-14.2	0	0	0	112.7	G286 L290 S577	G286-N288 PolarHBondContact O-N 2.94Å; G286-N288 VanDerWaalsContact O-N 3.11Å; N288-L290 PolarHBondContact O-N 3.43Å; N288-S577 PolarHBondContact ND2-OG 3.33Å; N288-S577 PolarHBondContact OD1-OG 3.47Å
289	C	98.4	Very high	96.4	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	17%	0.172	C	C	.	.			trans	-66.5	120	173.3	-175.2	0	0	0	0	108.8	G286 M287	G286-C289 VanDerWaalsContact O-CB 3.29Å; G286-C289 WeakPolarHBondContact O-CB 3.38Å; G286-C289 PolarHBondContact O-N 3.17Å; M287-C289 VanDerWaalsContact C-N 3.32Å
290	L	98.8	Very high	96.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.5	175.4	166.9	62.8	0	0	0	109.8	K195 A196 I197 Y226 N288 C313 F315 A511 V514 I515 I522	K195-L290 WeakPolarHBondContact O-CB 3.49Å; K195-L290 PolarHBondContact O-N 3.5Å; A196-L290 CarbonylContact C-O 3.53Å; A196-L290 WeakPolarHBondContact CA-O 3.28Å; I197-L290 PolarHBondContact N-O 3.26Å; Y226-L290 HydrophobicContact CE1-CD2 3.98Å; N288-L290 PolarHBondContact O-N 3.43Å; L290-C313 CarbonylContact C-O 3.54Å; L290-C313 WeakPolarHBondContact CA-O 3.35Å; L290-F315 HydrophobicContact CD1-CD1 3.62Å; L290-F315 HydrophobicContact CD1-CE1 3.61Å; L290-F315 HydrophobicContact CD2-CE1 4.18Å; L290-F315 HydrophobicContact CG-CE1 4.4Å; L290-A511 HydrophobicContact CD2-CB 3.6Å; L290-V514 HydrophobicContact CB-CG1 4.46Å; L290-I515 HydrophobicContact CB-CG1 4.45Å; L290-I515 HydrophobicContact CD2-CD1 4.41Å; L290-I522 HydrophobicContact CD1-CD1 3.69Å
291	I	98.9	Very high	95.9	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	105.2	173.2	-54.9	170.1	0	0	0	108.2	V199 F277 M278 V281 F293 C313 T314 F315	V199-I291 HydrophobicContact CG1-CG2 4.01Å; F277-I291 HydrophobicContact CE1-CG2 4.1Å; M278-I291 HydrophobicContact CE-CB 4.47Å; M278-I291 HydrophobicContact CE-CD1 3.66Å; M278-I291 HydrophobicContact CE-CG2 4.43Å; M278-I291 HydrophobicContact SD-CD1 3.71Å; M278-I291 HydrophobicContact SD-CG2 4.03Å; V281-I291 HydrophobicContact CB-CD1 4.23Å; V281-I291 HydrophobicContact CG1-CD1 3.61Å; V281-I291 HydrophobicContact CG1-CG1 3.98Å; I291-F293 HydrophobicContact CG2-CE2 4.41Å; I291-F293 HydrophobicContact CG2-CZ 4.44Å; I291-C313 PolarHBondContact N-O 3.35Å; I291-T314 WeakPolarHBondContact O-CA 3.31Å; I291-T314 WeakPolarHBondContact O-CB 3.34Å; I291-T314 PolarHBondContact O-OG1 2.63Å; I291-F315 PolarHBondContact O-N 2.8Å
292	Q	98.8	Very high	95.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125	172.9	-179.1	-172.6	-47.6	0	0	110	I197 V198 V199 Y226 E294 F315 D317	I197-Q292 PolarHBondContact O-N 3.46Å; V198-Q292 WeakPolarHBondContact CA-O 3.42Å; V198-Q292 HydrophobicContact CG2-CB 4.19Å; V199-Q292 PolarHBondContact N-O 3.4Å; Y226-Q292 VanDerWaalsContact CZ-OE1 3.3Å; Y226-Q292 PolarHBondContact OH-OE1 2.73Å; Q292-E294 PolarHBondContact NE2-OE2 2.88Å; Q292-F315 WeakPolarHBondContact CA-O 3.49Å; Q292-F315 HydrophobicContact CB-CD1 4.5Å; Q292-F315 HydrophobicContact CB-CE1 4.04Å; Q292-F315 HydrophobicContact CB-CZ 4.09Å; Q292-F315 HydrophobicContact CG-CD2 4.31Å; Q292-F315 HydrophobicContact CG-CE1 4.13Å; Q292-F315 HydrophobicContact CG-CE2 3.8Å; Q292-F315 HydrophobicContact CG-CZ 3.7Å; Q292-D317 HydrophobicContact CG-CB 4.26Å
293	F	98.7	Very high	95.3	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	140.5	168.9	-67.2	-82.5	0	0	0	111.1	V199 M278 I291 F296 I304 Y308 T314 F315 N316 D317	V199-F293 HydrophobicContact CG1-CD1 3.63Å; V199-F293 HydrophobicContact CG1-CE1 3.87Å; V199-F293 HydrophobicContact CG1-CG 4.27Å; M278-F293 HydrophobicContact CE-CE2 4.24Å; M278-F293 HydrophobicContact CE-CZ 4.15Å; M278-F293 HydrophobicContact SD-CE1 4.5Å; M278-F293 HydrophobicContact SD-CE2 4.23Å; M278-F293 HydrophobicContact SD-CZ 3.58Å; M278-F293 VanDerWaalsContact SD-CZ 3.58Å; I291-F293 HydrophobicContact CG2-CE2 4.41Å; I291-F293 HydrophobicContact CG2-CZ 4.44Å; F293-F296 HydrophobicContact CB-CD2 4.1Å; F293-F296 HydrophobicContact CB-CE2 4.03Å; F293-F296 HydrophobicContact CD1-CD2 4.21Å; F293-F296 HydrophobicContact CD1-CE1 4.49Å; F293-F296 AromaticContact CD1-CE2 3.54Å; F293-F296 HydrophobicContact CD1-CE2 3.54Å; F293-F296 AromaticContact CD1-CZ 3.71Å; F293-F296 HydrophobicContact CD1-CZ 3.71Å; F293-F296 HydrophobicContact CE1-CZ 4.28Å; F293-F296 HydrophobicContact CG-CE2 4.28Å; F293-I304 HydrophobicContact CD1-CG2 3.8Å; F293-I304 HydrophobicContact CD2-CG2 4Å; F293-I304 HydrophobicContact CE1-CG2 3.43Å; F293-I304 VanDerWaalsContact CE1-CG2 3.43Å; F293-I304 HydrophobicContact CE2-CG2 3.62Å; F293-I304 HydrophobicContact CG-CG2 4.08Å; F293-I304 HydrophobicContact CZ-CG2 3.32Å; F293-Y308 HydrophobicContact CE2-CD2 4.43Å; F293-Y308 HydrophobicContact CZ-CD2 4.15Å; F293-T314 VanDerWaalsContact CD2-OG1 3.28Å; F293-T314 WeakPolarHBondContact CD2-OG1 3.36Å; F293-T314 WeakPolarHBondContact CE2-OG1 3.29Å; F293-F315 PolarHBondContact N-O 3.31Å; F293-N316 HydrophobicContact CB-CB 4.18Å; F293-N316 WeakPolarHBondContact O-CA 3.42Å; F293-D317 PolarHBondContact O-N 2.87Å
294	E	97.6	Very high	95.2	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.014	15%	0.145	C	C	.	.			trans	-143	136.8	-174.7	-166.5	64.2	-165.8	0	0	112.7	V198 V199 T200 I218 K222 Q292 F296 D317	V198-E294 HydrophobicContact CG1-CB 3.97Å; V199-E294 PolarHBondContact O-N 2.99Å; T200-E294 WeakPolarHBondContact CA-O 3.19Å; T200-E294 WeakPolarHBondContact CB-O 3.31Å; T200-E294 PolarHBondContact OG1-O 3.37Å; I218-E294 HydrophobicContact CG2-CG 3.62Å; K222-E294 HydrophobicContact CD-CG 4.2Å; K222-E294 WeakPolarHBondContact CD-OE2 3.4Å; K222-E294 WeakPolarHBondContact CE-OE1 3.38Å; K222-E294 VanDerWaalsContact CE-OE2 3.29Å; K222-E294 WeakPolarHBondContact CE-OE2 3.46Å; K222-E294 IonicContact NZ-OE1 2.77Å; K222-E294 PolarHBondContact NZ-OE1 2.89Å; K222-E294 IonicContact NZ-OE2 3.18Å; K222-E294 PolarHBondContact NZ-OE2 3.41Å; Q292-E294 PolarHBondContact NE2-OE2 2.88Å; E294-F296 WeakPolarHBondContact O-CD2 3.24Å; E294-F296 PolarHBondContact O-N 2.96Å; E294-F296 VanDerWaalsContact O-N 3.15Å; E294-D317 WeakPolarHBondContact OE2-CB 3.48Å
295	D	95.5	Very high	95.1	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	13%	0.134	C	C	.	.	S	Bend	trans	55	33.6	169.2	-77.2	-23.9	0	0	0	114.3	R204 I205 L206 I218 D318	R204-D295 CarbonylContact C-O 3.25Å; R204-D295 WeakPolarHBondContact CA-O 3.5Å; R204-D295 PolarHBondContact N-O 2.97Å; R204-D295 WeakPolarHBondContact O-CB 3.39Å; I205-D295 WeakPolarHBondContact CA-OD2 3.4Å; I205-D295 HydrophobicContact CD1-CB 3.77Å; L206-D295 PolarHBondContact N-OD1 3.24Å; I218-D295 WeakPolarHBondContact CG2-OD2 3.42Å; D295-D318 PolarHBondContact N-OD2 2.74Å
296	F	96.8	Very high	94.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.152	C	C	.	.			trans	-78.8	156.5	168.7	-75.8	-101	0	0	0	110.1	V199 D201 R204 Y270 F293 E294 A301 I304	V199-F296 WeakPolarHBondContact O-CE2 3.31Å; D201-F296 HydrophobicContact CB-CD1 4.18Å; D201-F296 HydrophobicContact CB-CE1 3.77Å; D201-F296 HydrophobicContact CB-CZ 4.28Å; D201-F296 VanDerWaalsContact CG-CD1 3.43Å; D201-F296 WeakPolarHBondContact OD2-CD1 3.44Å; R204-F296 WeakPolarHBondContact CB-O 3.46Å; R204-F296 WeakPolarHBondContact CD-O 3.38Å; Y270-F296 WeakPolarHBondContact OH-CD1 3.17Å; Y270-F296 VanDerWaalsContact OH-CE1 3.32Å; Y270-F296 WeakPolarHBondContact OH-CE1 3.31Å; F293-F296 HydrophobicContact CB-CD2 4.1Å; F293-F296 HydrophobicContact CB-CE2 4.03Å; F293-F296 HydrophobicContact CD1-CD2 4.21Å; F293-F296 HydrophobicContact CD1-CE1 4.49Å; F293-F296 AromaticContact CD1-CE2 3.54Å; F293-F296 HydrophobicContact CD1-CE2 3.54Å; F293-F296 AromaticContact CD1-CZ 3.71Å; F293-F296 HydrophobicContact CD1-CZ 3.71Å; F293-F296 HydrophobicContact CE1-CZ 4.28Å; F293-F296 HydrophobicContact CG-CE2 4.28Å; E294-F296 WeakPolarHBondContact O-CD2 3.24Å; E294-F296 PolarHBondContact O-N 2.96Å; E294-F296 VanDerWaalsContact O-N 3.15Å; F296-A301 HydrophobicContact CB-CB 4.04Å; F296-I304 HydrophobicContact CD1-CD1 3.85Å; F296-I304 HydrophobicContact CE1-CD1 3.97Å
297	A	92.6	Very high	94.9	Very high	14 Å²	14	29 Å²	29	12%	0.116	15%	0.152	C	C	.	.			trans	-68.2	146.5	171.5	0	0	0	0	0	112.6	E203 S299 N300 A301 E353	E203-A297 HydrophobicContact CB-CB 4.33Å; E203-A297 HydrophobicContact CG-CB 3.85Å; E203-A297 WeakPolarHBondContact OE1-CB 3.22Å; E203-A297 WeakPolarHBondContact OE2-CB 3.05Å; A297-S299 VanDerWaalsContact C-N 3.26Å; A297-S299 PolarHBondContact O-N 3.43Å; A297-N300 CarbonylContact O-C 3.48Å; A297-N300 WeakPolarHBondContact O-CA 3.37Å; A297-N300 PolarHBondContact O-N 3.49Å; A297-A301 PolarHBondContact O-N 3.22Å; A297-E353 VanDerWaalsContact C-OE1 3.28Å
298	N	85.4	Confident	95	Very high	67 Å²	67	24.8 Å²	24.8	36%	0.358	13%	0.131	S	C	.	.	H	α-helix	trans	-40.8	-46.2	-178.2	-69.1	-32.7	0	0	0	115	N300 F302 E353	N298-N300 VanDerWaalsContact C-N 3.35Å; N298-F302 WeakPolarHBondContact O-CD2 3.24Å; N298-E353 WeakPolarHBondContact CA-OE1 3.4Å; N298-E353 HydrophobicContact CB-CG 4.49Å; N298-E353 PolarHBondContact N-OE1 2.9Å; N298-E353 WeakPolarHBondContact OD1-CG 3.15Å; N298-E353 PolarHBondContact OD1-N 2.91Å; N298-E353 PolarHBondContact OD1-OE1 2.91Å
299	S	84.9	Confident	94.9	Very high	91 Å²	91	24.3 Å²	24.3	64%	0.636	13%	0.125	S	C	*	.	H	α-helix	trans	-68	-34.3	-178.8	51.3	0	0	0	0	112.9	A297 R303	A297-S299 VanDerWaalsContact C-N 3.26Å; A297-S299 PolarHBondContact O-N 3.43Å; S299-R303 VanDerWaalsContact O-CB 3.31Å; S299-R303 WeakPolarHBondContact O-CB 3.34Å
300	N	93.3	Very high	94.8	Very high	14 Å²	14	30 Å²	30	8%	0.075	16%	0.155	C	C	.	.	H	α-helix	trans	-83.1	-43.4	178.6	-77.7	-27.1	0	0	0	111.6	A297 N298 F302 R303 I304	A297-N300 CarbonylContact O-C 3.48Å; A297-N300 WeakPolarHBondContact O-CA 3.37Å; A297-N300 PolarHBondContact O-N 3.49Å; N298-N300 VanDerWaalsContact C-N 3.35Å; N300-F302 PolarHBondContact O-N 3.34Å; N300-R303 PolarHBondContact O-N 3.01Å; N300-R303 PolarHBondContact OD1-NH2 2.51Å; N300-I304 HydrophobicContact CB-CD1 4.07Å; N300-I304 WeakPolarHBondContact O-CB 3.3Å; N300-I304 WeakPolarHBondContact O-CG1 3.1Å; N300-I304 PolarHBondContact O-N 2.81Å
301	A	92.5	Very high	94.6	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-55.3	-52.1	-176.3	0	0	0	0	0	112.5	F296 A297 L305 I319 E353	F296-A301 HydrophobicContact CB-CB 4.04Å; A297-A301 PolarHBondContact O-N 3.22Å; A301-L305 VanDerWaalsContact O-CB 3.23Å; A301-L305 WeakPolarHBondContact O-CB 3.5Å; A301-L305 PolarHBondContact O-N 3.04Å; A301-I319 HydrophobicContact CB-CD1 4.03Å; A301-E353 HydrophobicContact CB-CG 4.03Å; A301-E353 WeakPolarHBondContact CB-OE1 3.42Å
302	F	90.3	Very high	94.6	Very high	24 Å²	24	37 Å²	37	11%	0.105	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-44.5	177.6	-79.9	-68.4	0	0	0	112.9	N298 N300 L305 N306 I319 E353 M356	N298-F302 WeakPolarHBondContact O-CD2 3.24Å; N300-F302 PolarHBondContact O-N 3.34Å; F302-L305 PolarHBondContact O-N 3.09Å; F302-N306 VanDerWaalsContact O-CB 3.28Å; F302-N306 WeakPolarHBondContact O-CB 3.4Å; F302-N306 VanDerWaalsContact O-CG 3.24Å; F302-N306 PolarHBondContact O-N 3.26Å; F302-N306 PolarHBondContact O-ND2 3.03Å; F302-I319 HydrophobicContact CD1-CD1 3.72Å; F302-I319 HydrophobicContact CD2-CD1 4.42Å; F302-I319 HydrophobicContact CE1-CD1 3.7Å; F302-I319 HydrophobicContact CE1-CG1 4.04Å; F302-I319 HydrophobicContact CE1-CG2 3.84Å; F302-I319 HydrophobicContact CE2-CD1 4.41Å; F302-I319 HydrophobicContact CG-CD1 4.07Å; F302-I319 HydrophobicContact CZ-CD1 4.03Å; F302-I319 HydrophobicContact CZ-CG1 4.05Å; F302-I319 HydrophobicContact CZ-CG2 4.34Å; F302-E353 HydrophobicContact CD2-CG 4.34Å; F302-E353 HydrophobicContact CE2-CB 4.27Å; F302-E353 HydrophobicContact CE2-CG 3.83Å; F302-E353 HydrophobicContact CZ-CB 4.45Å; F302-E353 HydrophobicContact CZ-CG 4.38Å; F302-M356 HydrophobicContact CE1-CB 4.2Å; F302-M356 HydrophobicContact CE2-CG 4.49Å; F302-M356 HydrophobicContact CZ-CB 3.66Å; F302-M356 HydrophobicContact CZ-CG 4.1Å
303	R	93.8	Very high	94.6	Very high	83 Å²	83	37 Å²	37	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-64.1	-45.4	-177.3	-177	-179.3	62.5	80.5	-1.9	111.5	D271 S299 N300 K307	D271-R303 IonicContact OD1-CZ 2.67Å; D271-R303 IonicContact OD1-NH1 3.76Å; D271-R303 PolarHBondContact OD1-NH1 2.9Å; D271-R303 IonicContact OD1-NH2 2.72Å; D271-R303 PolarHBondContact OD1-NH2 3.37Å; D271-R303 IonicContact OD2-CZ 3.16Å; D271-R303 IonicContact OD2-NH1 2.78Å; D271-R303 PolarHBondContact OD2-NH1 2.79Å; S299-R303 VanDerWaalsContact O-CB 3.31Å; S299-R303 WeakPolarHBondContact O-CB 3.34Å; N300-R303 PolarHBondContact O-N 3.01Å; N300-R303 PolarHBondContact OD1-NH2 2.51Å; R303-K307 VanDerWaalsContact O-CB 3.29Å; R303-K307 WeakPolarHBondContact O-CB 3.42Å; R303-K307 PolarHBondContact O-N 2.88Å
304	I	96.8	Very high	94.6	Very high	3 Å²	3	37 Å²	37	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-50.5	176	-71.5	171.9	0	0	0	109.6	Y270 I274 F293 F296 N300 N306 K307 Y308	Y270-I304 HydrophobicContact CE1-CD1 4.18Å; I274-I304 HydrophobicContact CG1-CD1 4.45Å; F293-I304 HydrophobicContact CD1-CG2 3.8Å; F293-I304 HydrophobicContact CD2-CG2 4Å; F293-I304 HydrophobicContact CE1-CG2 3.43Å; F293-I304 VanDerWaalsContact CE1-CG2 3.43Å; F293-I304 HydrophobicContact CE2-CG2 3.62Å; F293-I304 HydrophobicContact CG-CG2 4.08Å; F293-I304 HydrophobicContact CZ-CG2 3.32Å; F296-I304 HydrophobicContact CD1-CD1 3.85Å; F296-I304 HydrophobicContact CE1-CD1 3.97Å; N300-I304 HydrophobicContact CB-CD1 4.07Å; N300-I304 WeakPolarHBondContact O-CB 3.3Å; N300-I304 WeakPolarHBondContact O-CG1 3.1Å; N300-I304 PolarHBondContact O-N 2.81Å; I304-N306 PolarHBondContact O-N 2.92Å; I304-K307 PolarHBondContact O-N 2.95Å; I304-Y308 HydrophobicContact CB-CD2 4.42Å; I304-Y308 HydrophobicContact CB-CE2 4.38Å; I304-Y308 HydrophobicContact CG2-CD2 3.66Å; I304-Y308 HydrophobicContact CG2-CE2 3.82Å; I304-Y308 WeakPolarHBondContact O-CD2 3.35Å; I304-Y308 PolarHBondContact O-N 2.93Å
305	L	95.8	Very high	94.6	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-56.1	-51.5	178.6	177.2	61	0	0	0	111.1	A301 F302 K307 Y308 R309 N316 I319 Q320	A301-L305 VanDerWaalsContact O-CB 3.23Å; A301-L305 WeakPolarHBondContact O-CB 3.5Å; A301-L305 PolarHBondContact O-N 3.04Å; F302-L305 PolarHBondContact O-N 3.09Å; L305-K307 VanDerWaalsContact C-N 3.29Å; L305-K307 PolarHBondContact O-N 3.18Å; L305-Y308 PolarHBondContact O-N 2.93Å; L305-R309 HydrophobicContact CD1-CB 4.07Å; L305-R309 WeakPolarHBondContact O-CB 3.49Å; L305-R309 WeakPolarHBondContact O-CG 3.47Å; L305-R309 PolarHBondContact O-N 2.61Å; L305-N316 HydrophobicContact CD1-CB 4.46Å; L305-N316 HydrophobicContact CD2-CB 4.35Å; L305-I319 HydrophobicContact CD2-CB 4.36Å; L305-I319 HydrophobicContact CD2-CD1 3.89Å; L305-I319 HydrophobicContact CD2-CG2 4.13Å; L305-Q320 VanDerWaalsContact CD1-OE1 3.22Å; L305-Q320 HydrophobicContact CD2-CG 4.12Å
306	N	94	Very high	94.7	Very high	86 Å²	86	36.7 Å²	36.7	46%	0.46	18%	0.18	S	C	.	.	H	α-helix	trans	-62.4	-35	-179.2	-73.5	-26.1	0	0	0	112.9	F302 I304	F302-N306 VanDerWaalsContact O-CB 3.28Å; F302-N306 WeakPolarHBondContact O-CB 3.4Å; F302-N306 VanDerWaalsContact O-CG 3.24Å; F302-N306 PolarHBondContact O-N 3.26Å; F302-N306 PolarHBondContact O-ND2 3.03Å; I304-N306 PolarHBondContact O-N 2.92Å
307	K	97.1	Very high	94.7	Very high	70 Å²	70	36.7 Å²	36.7	30%	0.304	18%	0.18	S	C	.	.	H	α-helix	trans	-69.3	-38.6	178.1	-173.5	177.9	177.7	-166	0	112.6	D275 R303 I304 L305	D275-K307 WeakPolarHBondContact OD1-CE 3.42Å; D275-K307 IonicContact OD1-NZ 2.97Å; D275-K307 PolarHBondContact OD1-NZ 3.23Å; D275-K307 IonicContact OD2-NZ 2.61Å; D275-K307 PolarHBondContact OD2-NZ 3.29Å; R303-K307 VanDerWaalsContact O-CB 3.29Å; R303-K307 WeakPolarHBondContact O-CB 3.42Å; R303-K307 PolarHBondContact O-N 2.88Å; I304-K307 PolarHBondContact O-N 2.95Å; L305-K307 VanDerWaalsContact C-N 3.29Å; L305-K307 PolarHBondContact O-N 3.18Å
308	Y	98	Very high	94.8	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-107.4	-21.5	-168.2	-58.9	-56.8	0	0	0	115.6	I274 D275 M278 F293 I304 L305 N310 R311 Y312	I274-Y308 HydrophobicContact CG2-CD2 4.49Å; I274-Y308 HydrophobicContact CG2-CE2 3.45Å; I274-Y308 VanDerWaalsContact CG2-CE2 3.45Å; I274-Y308 WeakPolarHBondContact CG2-OH 3.15Å; D275-Y308 PolarHBondContact N-OH 2.61Å; D275-Y308 WeakPolarHBondContact OD1-CE1 3.48Å; D275-Y308 PolarHBondContact OD1-OH 3.45Å; M278-Y308 HydrophobicContact CB-CE1 4.48Å; M278-Y308 HydrophobicContact CE-CD1 4.45Å; M278-Y308 HydrophobicContact CE-CD2 4.4Å; M278-Y308 HydrophobicContact CE-CG 4.03Å; M278-Y308 HydrophobicContact CG-CD1 4.15Å; M278-Y308 HydrophobicContact CG-CD2 4.26Å; M278-Y308 HydrophobicContact CG-CE1 4.04Å; M278-Y308 HydrophobicContact CG-CE2 4.18Å; M278-Y308 HydrophobicContact CG-CG 4.27Å; F293-Y308 HydrophobicContact CE2-CD2 4.43Å; F293-Y308 HydrophobicContact CZ-CD2 4.15Å; I304-Y308 HydrophobicContact CB-CD2 4.42Å; I304-Y308 HydrophobicContact CB-CE2 4.38Å; I304-Y308 HydrophobicContact CG2-CD2 3.66Å; I304-Y308 HydrophobicContact CG2-CE2 3.82Å; I304-Y308 WeakPolarHBondContact O-CD2 3.35Å; I304-Y308 PolarHBondContact O-N 2.93Å; L305-Y308 PolarHBondContact O-N 2.93Å; Y308-N310 PolarHBondContact O-N 2.74Å; Y308-R311 PolarHBondContact O-N 2.91Å; Y308-Y312 AromaticContact CD1-CD2 3.82Å; Y308-Y312 HydrophobicContact CD1-CD2 3.82Å; Y308-Y312 AromaticContact CD1-CE2 3.75Å; Y308-Y312 HydrophobicContact CD1-CE2 3.75Å; Y308-Y312 HydrophobicContact CE1-CE2 4.41Å; Y308-Y312 HydrophobicContact CG-CD2 4.24Å; Y308-Y312 PolarHBondContact O-N 2.57Å
309	R	95.8	Very high	95.3	Very high	44 Å²	44	33.5 Å²	33.5	17%	0.166	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-30.2	-174	61.4	-175.5	-63.7	154.6	13.9	115.8	L305 E524	L305-R309 HydrophobicContact CD1-CB 4.07Å; L305-R309 WeakPolarHBondContact O-CB 3.49Å; L305-R309 WeakPolarHBondContact O-CG 3.47Å; L305-R309 PolarHBondContact O-N 2.61Å; R309-E524 IonicContact CZ-OE1 3.45Å; R309-E524 VanDerWaalsContact CZ-OE1 3.25Å; R309-E524 IonicContact NH1-OE1 2.64Å; R309-E524 PolarHBondContact NH1-OE1 3.01Å; R309-E524 VanDerWaalsContact NH2-CD 3.32Å; R309-E524 IonicContact NH2-OE1 2.77Å; R309-E524 PolarHBondContact NH2-OE1 3.25Å
310	N	95.4	Very high	95.9	Very high	121 Å²	121	29.2 Å²	29.2	65%	0.647	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	4.4	-179.1	-61.8	-34.1	0	0	0	113.3	Y308 H521	Y308-N310 PolarHBondContact O-N 2.74Å; N310-H521 PolarHBondContact O-CE1 2.85Å; N310-H521 VanDerWaalsContact O-CE1 3.23Å
311	R	95.1	Very high	96.1	Very high	137 Å²	137	28.6 Å²	28.6	52%	0.517	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-31.2	-177.7	-66.8	-179.2	64.5	-175.5	-3.2	112.5	M287 Y308 H521	M287-R311 WeakPolarHBondContact CE-O 3.3Å; Y308-R311 PolarHBondContact O-N 2.91Å; R311-H521 VanDerWaalsContact C-CE1 3.47Å
312	Y	98	Very high	96.2	Very high	10 Å²	10	29.5 Å²	29.5	4%	0.039	13%	0.133	C	C	.	.	S	Bend	trans	-125.9	161.2	-176.1	-63.1	-82.9	0	0	0	110.8	M278 Q279 T282 M287 Y308 T314 R520	M278-Y312 HydrophobicContact CB-CD2 4.41Å; M278-Y312 HydrophobicContact CB-CE1 4.14Å; M278-Y312 HydrophobicContact CB-CE2 3.98Å; M278-Y312 HydrophobicContact CE-CD1 4.17Å; M278-Y312 HydrophobicContact CE-CD2 3.7Å; M278-Y312 HydrophobicContact CE-CE2 4.41Å; M278-Y312 HydrophobicContact CE-CG 3.56Å; Q279-Y312 PolarHBondContact OE1-OH 3.07Å; T282-Y312 HydrophobicContact CG2-CD1 3.48Å; T282-Y312 VanDerWaalsContact CG2-CD1 3.48Å; T282-Y312 HydrophobicContact CG2-CE1 3.74Å; T282-Y312 WeakPolarHBondContact OG1-CE1 3.39Å; M287-Y312 HydrophobicContact CE-CD1 3.93Å; M287-Y312 HydrophobicContact CE-CE1 4.16Å; Y308-Y312 AromaticContact CD1-CD2 3.82Å; Y308-Y312 HydrophobicContact CD1-CD2 3.82Å; Y308-Y312 AromaticContact CD1-CE2 3.75Å; Y308-Y312 HydrophobicContact CD1-CE2 3.75Å; Y308-Y312 HydrophobicContact CE1-CE2 4.41Å; Y308-Y312 HydrophobicContact CG-CD2 4.24Å; Y308-Y312 PolarHBondContact O-N 2.57Å; Y312-T314 VanDerWaalsContact C-N 3.26Å; Y312-T314 PolarHBondContact O-N 3.21Å; Y312-R520 CarbonylContact C-O 3.36Å; Y312-R520 VanDerWaalsContact C-O 3.25Å
313	C	98.3	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-77.4	80.9	168.7	-179	0	0	0	0	108.8	L290 I291 V514 V519 R520	L290-C313 CarbonylContact C-O 3.54Å; L290-C313 WeakPolarHBondContact CA-O 3.35Å; I291-C313 PolarHBondContact N-O 3.35Å; C313-V514 WeakPolarHBondContact SG-CG1 3.42Å; C313-V519 PolarHBondContact SG-O 3.14Å; C313-V519 VanDerWaalsContact SG-O 3.32Å; C313-R520 VanDerWaalsContact CA-O 3.22Å; C313-R520 WeakPolarHBondContact CA-O 3.42Å; C313-R520 WeakPolarHBondContact CB-O 3.41Å; C313-R520 PolarHBondContact N-O 2.96Å; C313-R520 VanDerWaalsContact N-O 3.1Å
314	T	98.7	Very high	96.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.9	-172.3	-173.8	0	0	0	0	113.1	M278 I291 F293 Y312	M278-T314 HydrophobicContact CE-CG2 4.36Å; I291-T314 WeakPolarHBondContact O-CA 3.31Å; I291-T314 WeakPolarHBondContact O-CB 3.34Å; I291-T314 PolarHBondContact O-OG1 2.63Å; F293-T314 VanDerWaalsContact CD2-OG1 3.28Å; F293-T314 WeakPolarHBondContact CD2-OG1 3.36Å; F293-T314 WeakPolarHBondContact CE2-OG1 3.29Å; Y312-T314 VanDerWaalsContact C-N 3.26Å; Y312-T314 PolarHBondContact O-N 3.21Å
315	F	98.6	Very high	96.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	167	169.8	74.7	-86	0	0	0	109.9	L290 I291 Q292 F293 D317 Q320 F507 I522 F527	L290-F315 HydrophobicContact CD1-CD1 3.62Å; L290-F315 HydrophobicContact CD1-CE1 3.61Å; L290-F315 HydrophobicContact CD2-CE1 4.18Å; L290-F315 HydrophobicContact CG-CE1 4.4Å; I291-F315 PolarHBondContact O-N 2.8Å; Q292-F315 WeakPolarHBondContact CA-O 3.49Å; Q292-F315 HydrophobicContact CB-CD1 4.5Å; Q292-F315 HydrophobicContact CB-CE1 4.04Å; Q292-F315 HydrophobicContact CB-CZ 4.09Å; Q292-F315 HydrophobicContact CG-CD2 4.31Å; Q292-F315 HydrophobicContact CG-CE1 4.13Å; Q292-F315 HydrophobicContact CG-CE2 3.8Å; Q292-F315 HydrophobicContact CG-CZ 3.7Å; F293-F315 PolarHBondContact N-O 3.31Å; F315-D317 HydrophobicContact CE2-CB 3.95Å; F315-Q320 VanDerWaalsContact CA-OE1 3.31Å; F315-Q320 VanDerWaalsContact CB-OE1 3.25Å; F315-F507 HydrophobicContact CE2-CB 4.44Å; F315-F507 HydrophobicContact CZ-CB 4.13Å; F315-I522 HydrophobicContact CB-CD1 4.29Å; F315-I522 HydrophobicContact CD1-CD1 3.63Å; F315-I522 HydrophobicContact CE1-CD1 4.45Å; F315-I522 HydrophobicContact CG-CD1 4.39Å; F315-F527 HydrophobicContact CB-CE2 4.11Å; F315-F527 HydrophobicContact CB-CZ 3.68Å; F315-F527 HydrophobicContact CD1-CZ 4.46Å; F315-F527 HydrophobicContact CD2-CE1 4.06Å; F315-F527 AromaticContact CD2-CZ 3.62Å; F315-F527 HydrophobicContact CD2-CZ 3.62Å; F315-F527 HydrophobicContact CE2-CE1 4.37Å; F315-F527 HydrophobicContact CE2-CZ 4.31Å; F315-F527 AromaticContact CG-CZ 3.7Å; F315-F527 HydrophobicContact CG-CZ 3.7Å
316	N	98.2	Very high	97	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.7	170.5	177	-67	0	0	0	109	F293 L305 D318 I319 Q320	F293-N316 HydrophobicContact CB-CB 4.18Å; F293-N316 WeakPolarHBondContact O-CA 3.42Å; L305-N316 HydrophobicContact CD1-CB 4.46Å; L305-N316 HydrophobicContact CD2-CB 4.35Å; N316-D318 WeakPolarHBondContact OD1-CA 2.93Å; N316-D318 WeakPolarHBondContact OD1-CB 3.11Å; N316-D318 PolarHBondContact OD1-N 2.84Å; N316-I319 HydrophobicContact CB-CB 4.43Å; N316-I319 HydrophobicContact CB-CD1 4.21Å; N316-I319 PolarHBondContact OD1-N 2.92Å; N316-Q320 WeakPolarHBondContact O-CB 3.36Å; N316-Q320 PolarHBondContact O-N 3.39Å
317	D	97	Very high	97.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.091	C	C	.	.	I	π-helix	trans	-76.4	-32.4	-173.6	-165.7	65.1	0	0	0	113	K222 Q292 F293 E294 F315 I319 G321 T322 N503 F507	K222-D317 IonicContact NZ-OD2 2.72Å; K222-D317 PolarHBondContact NZ-OD2 3.04Å; Q292-D317 HydrophobicContact CG-CB 4.26Å; F293-D317 PolarHBondContact O-N 2.87Å; E294-D317 WeakPolarHBondContact OE2-CB 3.48Å; F315-D317 HydrophobicContact CE2-CB 3.95Å; D317-I319 PolarHBondContact O-N 3.32Å; D317-G321 CarbonylContact O-C 3.59Å; D317-G321 WeakPolarHBondContact O-CA 3.44Å; D317-G321 PolarHBondContact O-N 3.03Å; D317-G321 WeakPolarHBondContact OD1-CA 3.22Å; D317-T322 PolarHBondContact O-N 3.49Å; D317-N503 PolarHBondContact O-ND2 2.97Å; D317-N503 WeakPolarHBondContact OD2-CB 3.4Å; D317-N503 PolarHBondContact OD2-ND2 3.23Å; D317-F507 WeakPolarHBondContact OD1-CB 3.39Å
318	D	93.6	Very high	97.3	Very high	9 Å²	9	16.8 Å²	16.8	5%	0.048	8%	0.076	C	C	.	.	I	π-helix	trans	-64.6	-27.6	176.1	-60.3	-64.3	0	0	0	112.9	D295 N316 T322	D295-D318 PolarHBondContact N-OD2 2.74Å; N316-D318 WeakPolarHBondContact OD1-CA 2.93Å; N316-D318 WeakPolarHBondContact OD1-CB 3.11Å; N316-D318 PolarHBondContact OD1-N 2.84Å; D318-T322 WeakPolarHBondContact O-CB 3.47Å
319	I	95.2	Very high	97.3	Very high	5 Å²	5	16.7 Å²	16.7	3%	0.026	8%	0.076	C	C	.	.	I	π-helix	trans	-92.6	-64.7	175.4	-60.4	167.5	0	0	0	109.9	A301 F302 L305 N316 D317 A323 E353	A301-I319 HydrophobicContact CB-CD1 4.03Å; F302-I319 HydrophobicContact CD1-CD1 3.72Å; F302-I319 HydrophobicContact CD2-CD1 4.42Å; F302-I319 HydrophobicContact CE1-CD1 3.7Å; F302-I319 HydrophobicContact CE1-CG1 4.04Å; F302-I319 HydrophobicContact CE1-CG2 3.84Å; F302-I319 HydrophobicContact CE2-CD1 4.41Å; F302-I319 HydrophobicContact CG-CD1 4.07Å; F302-I319 HydrophobicContact CZ-CD1 4.03Å; F302-I319 HydrophobicContact CZ-CG1 4.05Å; F302-I319 HydrophobicContact CZ-CG2 4.34Å; L305-I319 HydrophobicContact CD2-CB 4.36Å; L305-I319 HydrophobicContact CD2-CD1 3.89Å; L305-I319 HydrophobicContact CD2-CG2 4.13Å; N316-I319 HydrophobicContact CB-CB 4.43Å; N316-I319 HydrophobicContact CB-CD1 4.21Å; N316-I319 PolarHBondContact OD1-N 2.92Å; D317-I319 PolarHBondContact O-N 3.32Å; I319-A323 VanDerWaalsContact O-CB 3.24Å; I319-A323 WeakPolarHBondContact O-CB 3.29Å; I319-A323 PolarHBondContact O-N 2.87Å; I319-A323 VanDerWaalsContact O-N 3.16Å; I319-E353 HydrophobicContact CD1-CG 4.24Å; I319-E353 HydrophobicContact CG1-CB 3.77Å; I319-E353 HydrophobicContact CG1-CG 3.83Å
320	Q	97.9	Very high	97.5	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	7%	0.068	C	C	.	.	I	π-helix	trans	-88.2	-35.2	-166.3	-58.9	177.6	-90.3	0	0	112.6	L305 F315 N316 A323 S324 E524 F527	L305-Q320 VanDerWaalsContact CD1-OE1 3.22Å; L305-Q320 HydrophobicContact CD2-CG 4.12Å; F315-Q320 VanDerWaalsContact CA-OE1 3.31Å; F315-Q320 VanDerWaalsContact CB-OE1 3.25Å; N316-Q320 WeakPolarHBondContact O-CB 3.36Å; N316-Q320 PolarHBondContact O-N 3.39Å; Q320-A323 WeakPolarHBondContact O-CB 3.28Å; Q320-A323 PolarHBondContact O-N 2.92Å; Q320-S324 WeakPolarHBondContact O-CB 3.36Å; Q320-S324 PolarHBondContact O-N 3.26Å; Q320-E524 VanDerWaalsContact NE2-CD 3.3Å; Q320-E524 PolarHBondContact NE2-OE1 2.63Å; Q320-E524 VanDerWaalsContact NE2-OE1 3.1Å; Q320-E524 PolarHBondContact NE2-OE2 3.14Å; Q320-F527 HydrophobicContact CB-CD1 4.09Å; Q320-F527 HydrophobicContact CB-CD2 3.84Å; Q320-F527 HydrophobicContact CB-CE1 3.9Å; Q320-F527 HydrophobicContact CB-CE2 3.64Å; Q320-F527 HydrophobicContact CB-CG 4.07Å; Q320-F527 HydrophobicContact CB-CZ 3.68Å; Q320-F527 HydrophobicContact CG-CD2 4.45Å; Q320-F527 HydrophobicContact CG-CE2 4.2Å; Q320-F527 WeakPolarHBondContact O-CD1 3.5Å
321	G	97.3	Very high	97.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	4%	0.043	C	C	.	.	I	π-helix	trans	-65.6	-49.3	174.6	0	0	0	0	0	111.8	D317 A323 S324 V325	D317-G321 CarbonylContact O-C 3.59Å; D317-G321 WeakPolarHBondContact O-CA 3.44Å; D317-G321 PolarHBondContact O-N 3.03Å; D317-G321 WeakPolarHBondContact OD1-CA 3.22Å; G321-A323 VanDerWaalsContact C-N 3.32Å; G321-A323 PolarHBondContact O-N 2.65Å; G321-S324 PolarHBondContact O-N 3.17Å; G321-V325 PolarHBondContact O-N 2.87Å
322	T	95.9	Very high	97.8	Very high	20 Å²	20	3.7 Å²	3.7	12%	0.123	2%	0.019	C	C	.	.	H	α-helix	trans	-62.5	-38.4	175.1	-62.4	0	0	0	0	111.9	D317 D318 V325 A326 A354 I358 N503	D317-T322 PolarHBondContact O-N 3.49Å; D318-T322 WeakPolarHBondContact O-CB 3.47Å; T322-V325 WeakPolarHBondContact O-CG1 3.39Å; T322-A326 VanDerWaalsContact O-CB 3.32Å; T322-A326 WeakPolarHBondContact O-CB 3.03Å; T322-A326 PolarHBondContact O-N 3.34Å; T322-A354 HydrophobicContact CG2-CB 3.69Å; T322-I358 HydrophobicContact CG2-CD1 4.16Å; T322-I358 HydrophobicContact CG2-CG1 4.42Å; T322-N503 PolarHBondContact N-ND2 3.38Å; T322-N503 PolarHBondContact OG1-ND2 3.18Å; T322-N503 PolarHBondContact OG1-OD1 2.81Å; T322-N503 VanDerWaalsContact OG1-OD1 3.07Å
323	A	97.9	Very high	97.8	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.008	2%	0.017	C	C	.	.	H	α-helix	trans	-56.9	-52.1	171.8	0	0	0	0	0	111.9	I319 Q320 G321 V325 A326 V327 G357 L361	I319-A323 VanDerWaalsContact O-CB 3.24Å; I319-A323 WeakPolarHBondContact O-CB 3.29Å; I319-A323 PolarHBondContact O-N 2.87Å; I319-A323 VanDerWaalsContact O-N 3.16Å; Q320-A323 WeakPolarHBondContact O-CB 3.28Å; Q320-A323 PolarHBondContact O-N 2.92Å; G321-A323 VanDerWaalsContact C-N 3.32Å; G321-A323 PolarHBondContact O-N 2.65Å; A323-V325 PolarHBondContact O-N 2.93Å; A323-A326 PolarHBondContact O-N 3.35Å; A323-V327 WeakPolarHBondContact O-CB 3.36Å; A323-V327 WeakPolarHBondContact O-CG2 3.46Å; A323-V327 PolarHBondContact O-N 3.09Å; A323-G357 VanDerWaalsContact CB-O 3.25Å; A323-G357 WeakPolarHBondContact CB-O 3.09Å; A323-L361 VanDerWaalsContact C-CD2 3.48Å; A323-L361 HydrophobicContact CB-CB 3.96Å; A323-L361 HydrophobicContact CB-CD2 3.85Å
324	S	98.6	Very high	97.8	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-60.5	-47.3	-176.9	-172.1	0	0	0	0	112.2	Q320 G321 V327 A328 F527 A531	Q320-S324 WeakPolarHBondContact O-CB 3.36Å; Q320-S324 PolarHBondContact O-N 3.26Å; G321-S324 PolarHBondContact O-N 3.17Å; S324-V327 PolarHBondContact O-N 3.28Å; S324-A328 WeakPolarHBondContact O-CB 3.49Å; S324-A328 PolarHBondContact O-N 3.09Å; S324-F527 PolarHBondContact OG-O 3.13Å; S324-A531 VanDerWaalsContact O-CB 3.24Å; S324-A531 WeakPolarHBondContact O-CB 3.33Å; S324-A531 PolarHBondContact OG-N 3.21Å
325	V	98.1	Very high	97.7	Very high	2 Å²	2	7 Å²	7	1%	0.012	3%	0.034	C	C	.	.	H	α-helix	trans	-68.1	-40.7	-179.7	71.6	0	0	0	0	111.8	G321 T322 A323 V327 A328 G329 V506 Y549	G321-V325 PolarHBondContact O-N 2.87Å; T322-V325 WeakPolarHBondContact O-CG1 3.39Å; A323-V325 PolarHBondContact O-N 2.93Å; V325-V327 PolarHBondContact O-N 2.93Å; V325-A328 WeakPolarHBondContact O-CB 3.46Å; V325-A328 PolarHBondContact O-N 3.28Å; V325-G329 PolarHBondContact O-N 2.57Å; V325-V506 HydrophobicContact CB-CG2 3.82Å; V325-Y549 HydrophobicContact CG2-CD1 4.23Å; V325-Y549 HydrophobicContact CG2-CE1 3.59Å; V325-Y549 VanDerWaalsContact O-CE1 3.3Å; V325-Y549 WeakPolarHBondContact O-CE1 3.12Å; V325-Y549 PolarHBondContact O-OH 3.45Å; V325-Y549 VanDerWaalsContact O-OH 3.09Å
326	A	98.4	Very high	97.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-64.3	-44.2	178	0	0	0	0	0	111.6	T322 A323 A328 G329 I330 I358 L455	T322-A326 VanDerWaalsContact O-CB 3.32Å; T322-A326 WeakPolarHBondContact O-CB 3.03Å; T322-A326 PolarHBondContact O-N 3.34Å; A323-A326 PolarHBondContact O-N 3.35Å; A326-A328 VanDerWaalsContact C-N 3.3Å; A326-A328 PolarHBondContact O-N 3.11Å; A326-G329 PolarHBondContact O-N 3.37Å; A326-G329 VanDerWaalsContact O-N 3.16Å; A326-I330 WeakPolarHBondContact O-CG1 3.18Å; A326-I330 PolarHBondContact O-N 2.93Å; A326-I358 HydrophobicContact CB-CB 4.44Å; A326-I358 HydrophobicContact CB-CD1 3.7Å; A326-I358 HydrophobicContact CB-CG1 3.66Å; A326-I358 HydrophobicContact CB-CG2 3.88Å; A326-L455 HydrophobicContact CB-CD1 4.03Å
327	V	98.7	Very high	97.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.5	-35.6	176.4	173.5	0	0	0	0	111.3	A323 S324 V325 G329 I330 F331 I358 L361 L362 L528 A531	A323-V327 WeakPolarHBondContact O-CB 3.36Å; A323-V327 WeakPolarHBondContact O-CG2 3.46Å; A323-V327 PolarHBondContact O-N 3.09Å; S324-V327 PolarHBondContact O-N 3.28Å; V325-V327 PolarHBondContact O-N 2.93Å; V327-G329 VanDerWaalsContact C-N 3.32Å; V327-G329 PolarHBondContact O-N 2.91Å; V327-I330 PolarHBondContact O-N 3.27Å; V327-F331 HydrophobicContact CG1-CD2 3.98Å; V327-F331 HydrophobicContact CG1-CE1 4.3Å; V327-F331 HydrophobicContact CG1-CE2 3.55Å; V327-F331 HydrophobicContact CG1-CZ 3.74Å; V327-F331 WeakPolarHBondContact O-CG 3.34Å; V327-F331 PolarHBondContact O-N 3.04Å; V327-I358 HydrophobicContact CG2-CG2 4.49Å; V327-L361 HydrophobicContact CB-CD2 4.01Å; V327-L361 HydrophobicContact CB-CG 4.48Å; V327-L361 HydrophobicContact CG2-CB 3.94Å; V327-L361 HydrophobicContact CG2-CD2 3.85Å; V327-L361 HydrophobicContact CG2-CG 4Å; V327-L362 HydrophobicContact CG2-CD2 3.9Å; V327-L362 HydrophobicContact CG2-CG 3.91Å; V327-L528 HydrophobicContact CG1-CD1 4.43Å; V327-A531 HydrophobicContact CB-CB 4.14Å; V327-A531 HydrophobicContact CG1-CB 4Å
328	A	98.7	Very high	97.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.3	-44.6	172.2	0	0	0	0	0	111.7	S324 V325 A326 I330 F331 A332 A531 I534 Y549	S324-A328 WeakPolarHBondContact O-CB 3.49Å; S324-A328 PolarHBondContact O-N 3.09Å; V325-A328 WeakPolarHBondContact O-CB 3.46Å; V325-A328 PolarHBondContact O-N 3.28Å; A326-A328 VanDerWaalsContact C-N 3.3Å; A326-A328 PolarHBondContact O-N 3.11Å; A328-I330 VanDerWaalsContact C-N 3.33Å; A328-I330 PolarHBondContact O-N 2.84Å; A328-F331 PolarHBondContact O-N 2.81Å; A328-A332 PolarHBondContact O-N 3.31Å; A328-A531 HydrophobicContact CB-CB 4.15Å; A328-A531 WeakPolarHBondContact CB-O 3.37Å; A328-I534 HydrophobicContact CB-CB 3.78Å; A328-I534 HydrophobicContact CB-CD1 4.29Å; A328-I534 HydrophobicContact CB-CG2 3.74Å; A328-Y549 HydrophobicContact CB-CE1 4.29Å
329	G	98.4	Very high	97.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.2	-39	174.9	0	0	0	0	0	112.6	V325 A326 V327 A332 A333 Y549	V325-G329 PolarHBondContact O-N 2.57Å; A326-G329 PolarHBondContact O-N 3.37Å; A326-G329 VanDerWaalsContact O-N 3.16Å; V327-G329 VanDerWaalsContact C-N 3.32Å; V327-G329 PolarHBondContact O-N 2.91Å; G329-A332 PolarHBondContact O-N 3.38Å; G329-A333 WeakPolarHBondContact O-CB 3.35Å; G329-A333 PolarHBondContact O-N 2.91Å; G329-Y549 WeakPolarHBondContact CA-OH 3.34Å
330	I	98.6	Very high	97.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	-48	174	-65.3	-57.2	0	0	0	110.5	A326 V327 A328 A332 A333 L334 L341 F346 L362 I451 F453	A326-I330 WeakPolarHBondContact O-CG1 3.18Å; A326-I330 PolarHBondContact O-N 2.93Å; V327-I330 PolarHBondContact O-N 3.27Å; A328-I330 VanDerWaalsContact C-N 3.33Å; A328-I330 PolarHBondContact O-N 2.84Å; I330-A332 VanDerWaalsContact C-N 3.29Å; I330-A332 PolarHBondContact O-N 3.03Å; I330-A333 CarbonylContact O-C 3.55Å; I330-A333 WeakPolarHBondContact O-CA 3.13Å; I330-A333 WeakPolarHBondContact O-CB 3.34Å; I330-A333 PolarHBondContact O-N 3.15Å; I330-L334 WeakPolarHBondContact O-CG 3.29Å; I330-L334 PolarHBondContact O-N 3.48Å; I330-L341 HydrophobicContact CG2-CD1 3.74Å; I330-F346 HydrophobicContact CD1-CE1 4.02Å; I330-F346 HydrophobicContact CG1-CE1 4.3Å; I330-F346 HydrophobicContact CG2-CE1 4.17Å; I330-F346 HydrophobicContact CG2-CZ 4.27Å; I330-L362 HydrophobicContact CG1-CD2 4.43Å; I330-L362 HydrophobicContact CG2-CD2 4.23Å; I330-I451 HydrophobicContact CD1-CG2 3.87Å; I330-F453 HydrophobicContact CD1-CD2 4.19Å; I330-F453 HydrophobicContact CD1-CE2 3.55Å; I330-F453 HydrophobicContact CD1-CZ 3.76Å; I330-F453 HydrophobicContact CG1-CE2 3.91Å; I330-F453 HydrophobicContact CG1-CZ 4.38Å
331	F	98.6	Very high	97.5	Very high	29 Å²	29	26.7 Å²	26.7	13%	0.127	13%	0.126	C	C	.	.	H	α-helix	trans	-58.9	-39.3	176.3	-71.1	-31.3	0	0	0	112.8	V327 A328 L334 K335 L341 A365 L528 A531 E532 A535	V327-F331 HydrophobicContact CG1-CD2 3.98Å; V327-F331 HydrophobicContact CG1-CE1 4.3Å; V327-F331 HydrophobicContact CG1-CE2 3.55Å; V327-F331 HydrophobicContact CG1-CZ 3.74Å; V327-F331 WeakPolarHBondContact O-CG 3.34Å; V327-F331 PolarHBondContact O-N 3.04Å; A328-F331 PolarHBondContact O-N 2.81Å; F331-L334 HydrophobicContact CD1-CD1 4.17Å; F331-L334 PolarHBondContact O-N 3.09Å; F331-K335 PolarHBondContact O-N 3.15Å; F331-L341 HydrophobicContact CE1-CD2 4.33Å; F331-A365 HydrophobicContact CE1-CB 4.12Å; F331-A365 HydrophobicContact CZ-CB 3.77Å; F331-L528 HydrophobicContact CE2-CD1 4Å; F331-L528 HydrophobicContact CZ-CD1 3.92Å; F331-A531 HydrophobicContact CD2-CB 4.36Å; F331-A531 HydrophobicContact CE2-CB 4.22Å; F331-E532 HydrophobicContact CD2-CG 4.13Å; F331-E532 HydrophobicContact CE2-CG 3.57Å; F331-E532 HydrophobicContact CZ-CG 4.29Å; F331-A535 HydrophobicContact CB-CB 3.51Å; F331-A535 HydrophobicContact CD2-CB 4.44Å; F331-A535 HydrophobicContact CG-CB 4.49Å
332	A	98.4	Very high	97.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.2	-39.3	172.1	0	0	0	0	0	111.9	A328 G329 I330 L334 K335 V538 L543 L548	A328-A332 PolarHBondContact O-N 3.31Å; G329-A332 PolarHBondContact O-N 3.38Å; I330-A332 VanDerWaalsContact C-N 3.29Å; I330-A332 PolarHBondContact O-N 3.03Å; A332-L334 VanDerWaalsContact C-N 3.34Å; A332-L334 PolarHBondContact O-N 3.42Å; A332-K335 WeakPolarHBondContact O-CB 3.35Å; A332-K335 PolarHBondContact O-N 3.07Å; A332-K335 VanDerWaalsContact O-N 3.17Å; A332-V538 HydrophobicContact CB-CG2 4.2Å; A332-L543 HydrophobicContact CB-CD2 4.38Å; A332-L548 HydrophobicContact CB-CB 4.16Å; A332-L548 HydrophobicContact CB-CD2 4.15Å; A332-L548 VanDerWaalsContact CB-O 3.24Å; A332-L548 WeakPolarHBondContact CB-O 3.4Å
333	A	98.2	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-36.2	175.6	0	0	0	0	0	112.5	G329 I330 K335 I336 T337 I451 I478 L548	G329-A333 WeakPolarHBondContact O-CB 3.35Å; G329-A333 PolarHBondContact O-N 2.91Å; I330-A333 CarbonylContact O-C 3.55Å; I330-A333 WeakPolarHBondContact O-CA 3.13Å; I330-A333 WeakPolarHBondContact O-CB 3.34Å; I330-A333 PolarHBondContact O-N 3.15Å; A333-K335 PolarHBondContact O-N 3.48Å; A333-I336 WeakPolarHBondContact O-CA 3.26Å; A333-I336 WeakPolarHBondContact O-CB 3.34Å; A333-I336 PolarHBondContact O-N 3.17Å; A333-T337 PolarHBondContact O-N 3.02Å; A333-I451 HydrophobicContact CB-CD1 3.81Å; A333-I451 HydrophobicContact CB-CG1 4.13Å; A333-I478 HydrophobicContact CB-CD1 4.41Å; A333-I478 HydrophobicContact CB-CG2 3.86Å; A333-L548 HydrophobicContact CB-CD1 4.46Å; A333-L548 HydrophobicContact CB-CD2 4.27Å
334	L	97.9	Very high	97.4	Very high	22 Å²	22	32.1 Å²	32.1	12%	0.115	15%	0.154	C	C	.	.	H	α-helix	trans	-59.5	-32.3	174.5	-61.2	-174.2	0	0	0	112.2	I330 F331 A332 I336 T337 K338 L341 H344	I330-L334 WeakPolarHBondContact O-CG 3.29Å; I330-L334 PolarHBondContact O-N 3.48Å; F331-L334 HydrophobicContact CD1-CD1 4.17Å; F331-L334 PolarHBondContact O-N 3.09Å; A332-L334 VanDerWaalsContact C-N 3.34Å; A332-L334 PolarHBondContact O-N 3.42Å; L334-I336 PolarHBondContact O-N 3.26Å; L334-T337 WeakPolarHBondContact CA-OG1 3.11Å; L334-T337 PolarHBondContact O-OG1 2.85Å; L334-K338 WeakPolarHBondContact O-CA 3.45Å; L334-K338 PolarHBondContact O-N 3.41Å; L334-L341 HydrophobicContact CD1-CB 3.94Å; L334-L341 HydrophobicContact CD1-CD1 4.23Å; L334-H344 WeakPolarHBondContact CD2-CD2 3.47Å; L334-H344 WeakPolarHBondContact CD2-NE2 3.48Å
335	K	97.8	Very high	97.4	Very high	58 Å²	58	33.6 Å²	33.6	25%	0.252	16%	0.163	S	C	.	.	H	α-helix	trans	-66.2	-23.8	174	-59.2	178.5	179.7	-176.2	0	112.3	F331 A332 A333 K338 A535 L543	F331-K335 PolarHBondContact O-N 3.15Å; A332-K335 WeakPolarHBondContact O-CB 3.35Å; A332-K335 PolarHBondContact O-N 3.07Å; A332-K335 VanDerWaalsContact O-N 3.17Å; A333-K335 PolarHBondContact O-N 3.48Å; K335-K338 VanDerWaalsContact O-CD 3.3Å; K335-K338 WeakPolarHBondContact O-CD 3.41Å; K335-K338 WeakPolarHBondContact O-CE 3.1Å; K335-K338 PolarHBondContact O-NZ 3.3Å; K335-A535 PolarHBondContact NZ-O 2.75Å; K335-L543 HydrophobicContact CB-CD1 3.64Å; K335-L543 HydrophobicContact CD-CD1 4.14Å
336	I	97.1	Very high	97.4	Very high	35 Å²	35	33.5 Å²	33.5	18%	0.179	16%	0.163	C	C	.	.	H	α-helix	trans	-87.2	-46.8	176.2	-58.9	173.2	0	0	0	110.7	A333 L334 K338 I478 L543 L548	A333-I336 WeakPolarHBondContact O-CA 3.26Å; A333-I336 WeakPolarHBondContact O-CB 3.34Å; A333-I336 PolarHBondContact O-N 3.17Å; L334-I336 PolarHBondContact O-N 3.26Å; I336-K338 VanDerWaalsContact C-N 3.28Å; I336-K338 PolarHBondContact O-N 3.42Å; I336-I478 HydrophobicContact CB-CD1 3.87Å; I336-I478 HydrophobicContact CD1-CD1 4.35Å; I336-I478 HydrophobicContact CD1-CG1 4.34Å; I336-I478 HydrophobicContact CD1-CG2 4.25Å; I336-I478 HydrophobicContact CG2-CD1 3.7Å; I336-I478 HydrophobicContact CG2-CG1 4.14Å; I336-L543 HydrophobicContact CD1-CD2 4.04Å; I336-L543 HydrophobicContact CG1-CB 4.24Å; I336-L543 HydrophobicContact CG1-CD1 4.5Å; I336-L543 HydrophobicContact CG1-CD2 3.98Å; I336-L543 HydrophobicContact CG1-CG 4.47Å; I336-L548 HydrophobicContact CD1-CD2 3.74Å
337	T	97.1	Very high	97.4	Very high	23 Å²	23	33.5 Å²	33.5	14%	0.141	16%	0.163	C	C	.	.	H	α-helix	trans	-69.4	-29.8	-178.8	60.5	0	0	0	0	112	A333 L334 D339 R449 I451 I478	A333-T337 PolarHBondContact O-N 3.02Å; L334-T337 WeakPolarHBondContact CA-OG1 3.11Å; L334-T337 PolarHBondContact O-OG1 2.85Å; T337-D339 WeakPolarHBondContact CB-OD2 3.42Å; T337-D339 PolarHBondContact O-N 3.05Å; T337-D339 PolarHBondContact OG1-N 3.16Å; T337-R449 HydrophobicContact CG2-CB 4.28Å; T337-I451 HydrophobicContact CG2-CD1 4.48Å; T337-I478 HydrophobicContact CG2-CD1 3.68Å
338	K	96.1	Very high	97.4	Very high	149 Å²	149	33.5 Å²	33.5	65%	0.648	16%	0.163	S	C	*	.			trans	64.4	17.7	-171.5	-51.5	-61.1	-174.8	-167.1	0	113.4	L334 K335 I336	L334-K338 WeakPolarHBondContact O-CA 3.45Å; L334-K338 PolarHBondContact O-N 3.41Å; K335-K338 VanDerWaalsContact O-CD 3.3Å; K335-K338 WeakPolarHBondContact O-CD 3.41Å; K335-K338 WeakPolarHBondContact O-CE 3.1Å; K335-K338 PolarHBondContact O-NZ 3.3Å; I336-K338 VanDerWaalsContact C-N 3.28Å; I336-K338 PolarHBondContact O-N 3.42Å
339	D	94.9	Very high	97.4	Very high	80 Å²	80	34.1 Å²	34.1	43%	0.428	17%	0.165	S	C	.	.			trans	-94.2	166.3	176	-60.7	-34.9	0	0	0	111.1	T337 D343 H344	T337-D339 WeakPolarHBondContact CB-OD2 3.42Å; T337-D339 PolarHBondContact O-N 3.05Å; T337-D339 PolarHBondContact OG1-N 3.16Å; D339-D343 HydrophobicContact CB-CB 4.21Å; D339-H344 IonicContact OD2-CE1 3.9Å
340	K	94.8	Very high	97.2	Very high	141 Å²	141	34.5 Å²	34.5	61%	0.613	17%	0.169	S	C	*	.			trans	-87.2	159.9	170	-60.5	179.7	180	178.3	0	110.5	L342 D343 H344	K340-L342 PolarHBondContact O-N 3.34Å; K340-D343 WeakPolarHBondContact CB-OD2 3.22Å; K340-D343 PolarHBondContact N-OD2 2.95Å; K340-D343 WeakPolarHBondContact O-CB 3.49Å; K340-D343 PolarHBondContact O-N 3.43Å; K340-H344 PolarHBondContact O-CD2 3.49Å; K340-H344 VanDerWaalsContact O-CD2 3.25Å
341	L	96.1	Very high	96.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-57.7	-36	178.2	-174.3	62.2	0	0	0	112.2	I330 F331 L334 D343 H344 F346 L362 A365 M366 E369	I330-L341 HydrophobicContact CG2-CD1 3.74Å; F331-L341 HydrophobicContact CE1-CD2 4.33Å; L334-L341 HydrophobicContact CD1-CB 3.94Å; L334-L341 HydrophobicContact CD1-CD1 4.23Å; L341-D343 VanDerWaalsContact C-N 3.25Å; L341-D343 PolarHBondContact O-N 2.84Å; L341-H344 PolarHBondContact O-N 3.5Å; L341-F346 HydrophobicContact CD1-CE2 4.33Å; L341-F346 HydrophobicContact CD1-CZ 3.78Å; L341-L362 HydrophobicContact CD1-CD2 4.06Å; L341-A365 HydrophobicContact CD2-CB 3.52Å; L341-M366 HydrophobicContact CD1-CE 4.46Å; L341-M366 HydrophobicContact CD2-CG 3.6Å; L341-M366 HydrophobicContact CG-CE 4.01Å; L341-M366 HydrophobicContact CG-CG 3.84Å; L341-E369 WeakPolarHBondContact CB-OE1 3.43Å
342	L	95.6	Very high	96.5	Very high	39 Å²	39	34.7 Å²	34.7	20%	0.204	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-70	-16.8	-179.7	-62.4	170.1	0	0	0	114.5	K340 H344 M366 E369 V371 K379	K340-L342 PolarHBondContact O-N 3.34Å; L342-H344 PolarHBondContact O-N 3.21Å; L342-M366 HydrophobicContact CD2-CB 3.76Å; L342-M366 HydrophobicContact CD2-CG 3.76Å; L342-M366 HydrophobicContact CD2-SD 4.17Å; L342-E369 HydrophobicContact CD1-CB 4.16Å; L342-V371 HydrophobicContact CD1-CG2 3.36Å; L342-V371 HydrophobicContact CD2-CB 3.9Å; L342-V371 HydrophobicContact CD2-CG1 4.23Å; L342-V371 HydrophobicContact CD2-CG2 3.51Å; L342-V371 HydrophobicContact CG-CG2 4.06Å; L342-K379 WeakPolarHBondContact O-CE 3.18Å; L342-K379 PolarHBondContact O-NZ 3.4Å
343	D	95.5	Very high	96	Very high	93 Å²	93	34.8 Å²	34.8	50%	0.497	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-78.6	-10.9	176.9	-58.9	-39.2	0	0	0	111.6	D339 K340 L341	D339-D343 HydrophobicContact CB-CB 4.21Å; K340-D343 WeakPolarHBondContact CB-OD2 3.22Å; K340-D343 PolarHBondContact N-OD2 2.95Å; K340-D343 WeakPolarHBondContact O-CB 3.49Å; K340-D343 PolarHBondContact O-N 3.43Å; L341-D343 VanDerWaalsContact C-N 3.25Å; L341-D343 PolarHBondContact O-N 2.84Å
344	H	97.8	Very high	95.7	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.019	19%	0.186	C	C	.	.			trans	-96.4	143.6	-176.3	-68.4	-66.4	0	0	0	113.7	L334 D339 K340 L341 L342 F346 T423	L334-H344 WeakPolarHBondContact CD2-CD2 3.47Å; L334-H344 WeakPolarHBondContact CD2-NE2 3.48Å; D339-H344 IonicContact OD2-CE1 3.9Å; K340-H344 PolarHBondContact O-CD2 3.49Å; K340-H344 VanDerWaalsContact O-CD2 3.25Å; L341-H344 PolarHBondContact O-N 3.5Å; L342-H344 PolarHBondContact O-N 3.21Å; H344-F346 HydrophobicContact CB-CD2 4.44Å; H344-F346 HydrophobicContact CB-CE1 4.38Å; H344-F346 HydrophobicContact CB-CE2 3.59Å; H344-F346 HydrophobicContact CB-CZ 3.56Å; H344-T423 WeakPolarHBondContact CA-OG1 3.33Å; H344-T423 WeakPolarHBondContact CB-OG1 3.31Å; H344-T423 WeakPolarHBondContact ND1-CB 3.39Å; H344-T423 PolarHBondContact ND1-OG1 3.31Å
345	T	98.5	Very high	95.6	Very high	31 Å²	31	34.6 Å²	34.6	19%	0.19	18%	0.181	C	C	.	.			trans	-115.1	127.3	168.3	-61.1	0	0	0	0	108.3	K379 I420 P422 T423 A424	T345-K379 WeakPolarHBondContact CA-O 3.38Å; T345-I420 HydrophobicContact CG2-CG2 3.82Å; T345-P422 WeakPolarHBondContact O-CB 3.33Å; T345-T423 PolarHBondContact N-OG1 3.45Å; T345-T423 PolarHBondContact O-N 3.46Å; T345-T423 PolarHBondContact O-OG1 3.01Å; T345-A424 PolarHBondContact O-N 3.17Å
346	F	98.6	Very high	95.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.3	-173.2	-59.3	-92.2	0	0	0	110.4	I330 L341 H344 F348 L362 M366 K379 I380 W381 A424 I426	I330-F346 HydrophobicContact CD1-CE1 4.02Å; I330-F346 HydrophobicContact CG1-CE1 4.3Å; I330-F346 HydrophobicContact CG2-CE1 4.17Å; I330-F346 HydrophobicContact CG2-CZ 4.27Å; L341-F346 HydrophobicContact CD1-CE2 4.33Å; L341-F346 HydrophobicContact CD1-CZ 3.78Å; H344-F346 HydrophobicContact CB-CD2 4.44Å; H344-F346 HydrophobicContact CB-CE1 4.38Å; H344-F346 HydrophobicContact CB-CE2 3.59Å; H344-F346 HydrophobicContact CB-CZ 3.56Å; F346-F348 HydrophobicContact CB-CD2 4.46Å; F346-F348 HydrophobicContact CB-CE2 3.91Å; F346-L362 HydrophobicContact CD1-CD1 3.95Å; F346-L362 HydrophobicContact CD2-CD1 4.42Å; F346-L362 HydrophobicContact CE1-CD1 4.11Å; F346-L362 HydrophobicContact CE1-CD2 4.39Å; F346-L362 HydrophobicContact CG-CD1 4.12Å; F346-L362 HydrophobicContact CZ-CD1 4.43Å; F346-L362 HydrophobicContact CZ-CD2 4.29Å; F346-M366 HydrophobicContact CD2-CE 3.99Å; F346-M366 HydrophobicContact CE2-CE 3.43Å; F346-M366 VanDerWaalsContact CE2-CE 3.43Å; F346-M366 HydrophobicContact CZ-CE 4.39Å; F346-K379 PolarHBondContact N-O 2.67Å; F346-I380 HydrophobicContact CB-CG1 4.43Å; F346-I380 HydrophobicContact CD2-CG1 4.42Å; F346-W381 PolarHBondContact O-N 2.82Å; F346-A424 WeakPolarHBondContact CA-O 3.36Å; F346-A424 HydrophobicContact CD1-CB 3.56Å; F346-A424 HydrophobicContact CE1-CB 3.79Å; F346-A424 HydrophobicContact CG-CB 4.42Å; F346-I426 HydrophobicContact CD1-CD1 4.08Å
347	V	98.7	Very high	95.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.9	168.7	166.2	0	0	0	0	109.1	W381 L413 V416 I420 P422 A424 I425 I426	V347-W381 CarbonylContact C-O 3.58Å; V347-W381 WeakPolarHBondContact CA-O 3.32Å; V347-W381 HydrophobicContact CG2-CB 3.87Å; V347-W381 HydrophobicContact CG2-CG 4.44Å; V347-L413 HydrophobicContact CG1-CD1 4.02Å; V347-V416 HydrophobicContact CG1-CG1 4Å; V347-V416 HydrophobicContact CG2-CG1 4.2Å; V347-I420 HydrophobicContact CG2-CB 4.25Å; V347-I420 HydrophobicContact CG2-CG2 3.87Å; V347-P422 HydrophobicContact CB-CB 3.96Å; V347-P422 HydrophobicContact CB-CG 3.9Å; V347-P422 HydrophobicContact CG2-CB 3.6Å; V347-P422 HydrophobicContact CG2-CG 3.65Å; V347-A424 PolarHBondContact N-O 3.01Å; V347-I425 HydrophobicContact CG1-CG1 4.46Å; V347-I425 WeakPolarHBondContact O-CA 3.49Å; V347-I426 PolarHBondContact O-N 3.16Å
348	F	98.5	Very high	95.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.5	175.4	-70.5	-98.7	0	0	0	110.6	F346 A355 I358 A359 L362 I380 W381 M382 V383 I426	F346-F348 HydrophobicContact CB-CD2 4.46Å; F346-F348 HydrophobicContact CB-CE2 3.91Å; F348-A355 HydrophobicContact CD1-CB 4.16Å; F348-I358 HydrophobicContact CE1-CB 3.81Å; F348-I358 HydrophobicContact CE1-CD1 4.17Å; F348-I358 HydrophobicContact CE1-CG2 3.7Å; F348-I358 HydrophobicContact CZ-CB 4.11Å; F348-I358 HydrophobicContact CZ-CG2 3.7Å; F348-A359 HydrophobicContact CE2-CB 4.4Å; F348-A359 HydrophobicContact CZ-CB 4.4Å; F348-L362 HydrophobicContact CE2-CD1 4.43Å; F348-L362 HydrophobicContact CZ-CD1 3.99Å; F348-I380 HydrophobicContact CD2-CG2 3.88Å; F348-I380 HydrophobicContact CE2-CG2 3.71Å; F348-W381 PolarHBondContact N-O 2.72Å; F348-M382 HydrophobicContact CB-CG 4.12Å; F348-M382 HydrophobicContact CD2-CG 4.41Å; F348-V383 PolarHBondContact O-N 2.79Å; F348-I426 CarbonylContact C-O 3.59Å; F348-I426 VanDerWaalsContact CA-O 3.3Å; F348-I426 WeakPolarHBondContact CA-O 3.41Å; F348-I426 HydrophobicContact CD1-CB 3.84Å; F348-I426 HydrophobicContact CD1-CD1 4.4Å; F348-I426 HydrophobicContact CD1-CG2 3.97Å; F348-I426 HydrophobicContact CE1-CB 3.89Å; F348-I426 HydrophobicContact CE1-CD1 3.65Å; F348-I426 HydrophobicContact CE1-CG1 4.34Å; F348-I426 HydrophobicContact CE1-CG2 3.84Å; F348-I426 HydrophobicContact CE2-CD1 4.24Å; F348-I426 HydrophobicContact CG-CB 4.46Å; F348-I426 HydrophobicContact CZ-CD1 3.57Å
349	Q	97.6	Very high	95.3	Very high	13 Å²	13	22.5 Å²	22.5	6%	0.061	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	102.5	160.8	-173.8	-163.3	-14	0	0	108.7	L413 I426 V428 A429 A434 F435	Q349-L413 HydrophobicContact CB-CD1 4.29Å; Q349-L413 HydrophobicContact CB-CD2 3.97Å; Q349-L413 HydrophobicContact CG-CD2 3.88Å; Q349-I426 PolarHBondContact N-O 3.44Å; Q349-V428 PolarHBondContact O-N 3.05Å; Q349-A429 HydrophobicContact CG-CB 4.1Å; Q349-A429 WeakPolarHBondContact O-CB 3.28Å; Q349-A429 PolarHBondContact O-N 3.02Å; Q349-A434 VanDerWaalsContact CD-CB 3.4Å; Q349-F435 HydrophobicContact CB-CE1 4.12Å; Q349-F435 VanDerWaalsContact OE1-CE1 3.23Å
350	G	94.1	Very high	95.4	Very high	8 Å²	8	21.2 Å²	21.2	8%	0.082	12%	0.118	C	C	.	.			trans	119.1	148.4	-170.7	0	0	0	0	0	111	A355 V383	G350-A355 VanDerWaalsContact O-CB 3.25Å; G350-A355 WeakPolarHBondContact O-CB 2.97Å; G350-V383 CarbonylContact C-O 3.46Å; G350-V383 VanDerWaalsContact CA-O 3.27Å; G350-V383 WeakPolarHBondContact CA-O 3.38Å; G350-V383 PolarHBondContact N-O 3.03Å
351	A	92.6	Very high	95.5	Very high	12 Å²	12	14.6 Å²	14.6	10%	0.099	9%	0.089	C	C	.	.			trans	-144	42.5	177.5	0	0	0	0	0	110.5	M382 D384 I389 K400	A351-M382 HydrophobicContact CB-CB 4.35Å; A351-M382 HydrophobicContact CB-SD 4.34Å; A351-D384 HydrophobicContact CB-CB 4.01Å; A351-I389 HydrophobicContact CB-CD1 3.53Å; A351-K400 HydrophobicContact CB-CD 4.35Å; A351-K400 HydrophobicContact CB-CG 4.38Å; A351-K400 WeakPolarHBondContact O-CE 3.09Å
352	G	89.8	Confident	95.6	Very high	21 Å²	21	14.6 Å²	14.6	22%	0.216	9%	0.089	C	C	.	.	S	Bend	trans	-105	-160.4	176	0	0	0	0	0	112	A354 A355 M356	G352-A354 PolarHBondContact O-N 2.86Å; G352-A355 PolarHBondContact O-N 3.4Å; G352-M356 WeakPolarHBondContact O-CG 3.48Å; G352-M356 PolarHBondContact O-N 3Å; G352-M356 VanDerWaalsContact O-N 3.09Å
353	E	88.8	Confident	95.7	Very high	1 Å²	1	13 Å²	13	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-41.7	-61.5	-179	-76.3	160.3	-168.9	0	0	114.2	R204 A297 N298 A301 F302 I319 A355 M356 G357	R204-E353 IonicContact CZ-OE2 3.65Å; R204-E353 IonicContact NH1-OE2 2.91Å; R204-E353 PolarHBondContact NH1-OE2 3.4Å; A297-E353 VanDerWaalsContact C-OE1 3.28Å; N298-E353 WeakPolarHBondContact CA-OE1 3.4Å; N298-E353 HydrophobicContact CB-CG 4.49Å; N298-E353 PolarHBondContact N-OE1 2.9Å; N298-E353 WeakPolarHBondContact OD1-CG 3.15Å; N298-E353 PolarHBondContact OD1-N 2.91Å; N298-E353 PolarHBondContact OD1-OE1 2.91Å; A301-E353 HydrophobicContact CB-CG 4.03Å; A301-E353 WeakPolarHBondContact CB-OE1 3.42Å; F302-E353 HydrophobicContact CD2-CG 4.34Å; F302-E353 HydrophobicContact CE2-CB 4.27Å; F302-E353 HydrophobicContact CE2-CG 3.83Å; F302-E353 HydrophobicContact CZ-CB 4.45Å; F302-E353 HydrophobicContact CZ-CG 4.38Å; I319-E353 HydrophobicContact CD1-CG 4.24Å; I319-E353 HydrophobicContact CG1-CB 3.77Å; I319-E353 HydrophobicContact CG1-CG 3.83Å; E353-A355 PolarHBondContact O-N 3.25Å; E353-M356 PolarHBondContact O-N 3.48Å; E353-G357 PolarHBondContact O-N 2.89Å
354	A	92	Very high	95.8	Very high	18 Å²	18	11.2 Å²	11.2	15%	0.149	7%	0.07	C	C	.	.	H	α-helix	trans	-59.9	-47.8	-178.5	0	0	0	0	0	112.7	T322 G352 M356 G357 I358 V428	T322-A354 HydrophobicContact CG2-CB 3.69Å; G352-A354 PolarHBondContact O-N 2.86Å; A354-M356 PolarHBondContact O-N 3.01Å; A354-G357 PolarHBondContact O-N 3.21Å; A354-I358 WeakPolarHBondContact O-CB 3.41Å; A354-I358 WeakPolarHBondContact O-CD1 3.17Å; A354-I358 WeakPolarHBondContact O-CG1 3.25Å; A354-I358 PolarHBondContact O-N 2.91Å; A354-V428 HydrophobicContact CB-CB 4.01Å; A354-V428 HydrophobicContact CB-CG1 3.93Å; A354-V428 HydrophobicContact CB-CG2 4.46Å
355	A	95	Very high	95.7	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.008	7%	0.071	C	C	.	.	H	α-helix	trans	-59.4	-47	-177.3	0	0	0	0	0	111.9	F348 G350 G352 E353 A359 V428	F348-A355 HydrophobicContact CD1-CB 4.16Å; G350-A355 VanDerWaalsContact O-CB 3.25Å; G350-A355 WeakPolarHBondContact O-CB 2.97Å; G352-A355 PolarHBondContact O-N 3.4Å; E353-A355 PolarHBondContact O-N 3.25Å; A355-A359 VanDerWaalsContact O-CB 3.24Å; A355-A359 WeakPolarHBondContact O-CB 3.46Å; A355-A359 PolarHBondContact O-N 3.45Å; A355-V428 HydrophobicContact CB-CG2 3.7Å
356	M	92.7	Very high	95.7	Very high	4 Å²	4	9.7 Å²	9.7	2%	0.02	6%	0.062	C	C	.	.	H	α-helix	trans	-67.9	-43.4	-178.8	-59.2	-53.9	-61.9	0	0	111.1	F302 G352 E353 A354 A359 H360 M382 E399 F403	F302-M356 HydrophobicContact CE1-CB 4.2Å; F302-M356 HydrophobicContact CE2-CG 4.49Å; F302-M356 HydrophobicContact CZ-CB 3.66Å; F302-M356 HydrophobicContact CZ-CG 4.1Å; G352-M356 WeakPolarHBondContact O-CG 3.48Å; G352-M356 PolarHBondContact O-N 3Å; G352-M356 VanDerWaalsContact O-N 3.09Å; E353-M356 PolarHBondContact O-N 3.48Å; A354-M356 PolarHBondContact O-N 3.01Å; M356-A359 PolarHBondContact O-N 3.49Å; M356-H360 WeakPolarHBondContact O-CB 3.31Å; M356-H360 PolarHBondContact O-N 3.32Å; M356-M382 HydrophobicContact CE-CE 4.46Å; M356-M382 HydrophobicContact SD-CE 3.77Å; M356-M382 HydrophobicContact SD-SD 3.55Å; M356-E399 VanDerWaalsContact CE-C 3.4Å; M356-E399 HydrophobicContact CE-CB 3.76Å; M356-E399 WeakPolarHBondContact CE-O 3.29Å; M356-F403 HydrophobicContact CE-CD2 3.67Å; M356-F403 HydrophobicContact CE-CE2 3.41Å; M356-F403 VanDerWaalsContact CE-CE2 3.41Å; M356-F403 HydrophobicContact SD-CD2 4.33Å; M356-F403 HydrophobicContact SD-CE2 4.32Å
357	G	95.4	Very high	95.5	Very high	7 Å²	7	11.9 Å²	11.9	7%	0.072	8%	0.08	C	C	.	.	H	α-helix	trans	-58.5	-50.6	176	0	0	0	0	0	112.1	A323 E353 A354 A359 H360 L361	A323-G357 VanDerWaalsContact CB-O 3.25Å; A323-G357 WeakPolarHBondContact CB-O 3.09Å; E353-G357 PolarHBondContact O-N 2.89Å; A354-G357 PolarHBondContact O-N 3.21Å; G357-A359 VanDerWaalsContact C-N 3.35Å; G357-A359 PolarHBondContact O-N 3.46Å; G357-H360 PolarHBondContact O-N 3.15Å; G357-L361 PolarHBondContact O-N 3.41Å
358	I	97.9	Very high	95.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.3	-46.4	178.7	-59.8	163.3	0	0	0	110.3	T322 A326 V327 F348 A354 L361 L362 I426 V428 L455	T322-I358 HydrophobicContact CG2-CD1 4.16Å; T322-I358 HydrophobicContact CG2-CG1 4.42Å; A326-I358 HydrophobicContact CB-CB 4.44Å; A326-I358 HydrophobicContact CB-CD1 3.7Å; A326-I358 HydrophobicContact CB-CG1 3.66Å; A326-I358 HydrophobicContact CB-CG2 3.88Å; V327-I358 HydrophobicContact CG2-CG2 4.49Å; F348-I358 HydrophobicContact CE1-CB 3.81Å; F348-I358 HydrophobicContact CE1-CD1 4.17Å; F348-I358 HydrophobicContact CE1-CG2 3.7Å; F348-I358 HydrophobicContact CZ-CB 4.11Å; F348-I358 HydrophobicContact CZ-CG2 3.7Å; A354-I358 WeakPolarHBondContact O-CB 3.41Å; A354-I358 WeakPolarHBondContact O-CD1 3.17Å; A354-I358 WeakPolarHBondContact O-CG1 3.25Å; A354-I358 PolarHBondContact O-N 2.91Å; I358-L361 PolarHBondContact O-N 2.71Å; I358-L362 HydrophobicContact CG2-CD1 4.02Å; I358-L362 HydrophobicContact CG2-CG 4.33Å; I358-L362 WeakPolarHBondContact O-CB 3.41Å; I358-L362 WeakPolarHBondContact O-CG 3.24Å; I358-L362 PolarHBondContact O-N 2.89Å; I358-I426 HydrophobicContact CD1-CG2 4.31Å; I358-I426 HydrophobicContact CG2-CD1 4.42Å; I358-V428 HydrophobicContact CD1-CG1 4.11Å; I358-L455 HydrophobicContact CD1-CD1 4.1Å
359	A	97.1	Very high	95	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.2	-44.5	-179.2	0	0	0	0	0	112.7	F348 A355 M356 G357 L361 L362 M363 I380 M382 F403	F348-A359 HydrophobicContact CE2-CB 4.4Å; F348-A359 HydrophobicContact CZ-CB 4.4Å; A355-A359 VanDerWaalsContact O-CB 3.24Å; A355-A359 WeakPolarHBondContact O-CB 3.46Å; A355-A359 PolarHBondContact O-N 3.45Å; M356-A359 PolarHBondContact O-N 3.49Å; G357-A359 VanDerWaalsContact C-N 3.35Å; G357-A359 PolarHBondContact O-N 3.46Å; A359-L361 PolarHBondContact O-N 3.32Å; A359-L362 PolarHBondContact O-N 3.45Å; A359-M363 VanDerWaalsContact O-CG 3.3Å; A359-M363 WeakPolarHBondContact O-CG 3.47Å; A359-M363 PolarHBondContact O-N 3.4Å; A359-I380 HydrophobicContact CB-CD1 4.1Å; A359-I380 HydrophobicContact CB-CG2 3.94Å; A359-I380 WeakPolarHBondContact O-CD1 3.32Å; A359-M382 HydrophobicContact CB-CE 3.24Å; A359-F403 HydrophobicContact CB-CE1 3.85Å; A359-F403 HydrophobicContact CB-CE2 4.23Å; A359-F403 HydrophobicContact CB-CZ 3.54Å
360	H	95.9	Very high	94.7	Very high	52 Å²	52	24.9 Å²	24.9	24%	0.241	16%	0.157	C	C	.	.	H	α-helix	trans	-63.3	-40.8	176.3	-73.1	157.9	0	0	0	112.2	M356 G357 M363 M364 E402 F403	M356-H360 WeakPolarHBondContact O-CB 3.31Å; M356-H360 PolarHBondContact O-N 3.32Å; G357-H360 PolarHBondContact O-N 3.15Å; H360-M363 PolarHBondContact O-N 2.84Å; H360-M364 WeakPolarHBondContact O-CG 3.16Å; H360-M364 PolarHBondContact O-N 2.88Å; H360-E402 IonicContact CD2-OE2 2.79Å; H360-E402 PolarHBondContact CD2-OE2 3.05Å; H360-E402 IonicContact CE1-OE2 2.74Å; H360-E402 IonicContact NE2-OE2 3.69Å; H360-E402 PolarHBondContact NE2-OE2 3.37Å; H360-F403 AromaticContact CD2-CZ 3.84Å; H360-F403 AromaticContact NE2-CE2 3.91Å
361	L	97.8	Very high	94.7	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-70.1	-35.6	178.3	-162.9	67.9	0	0	0	112.3	A323 V327 G357 I358 A359 M364 A365 F527 L528	A323-L361 VanDerWaalsContact C-CD2 3.48Å; A323-L361 HydrophobicContact CB-CB 3.96Å; A323-L361 HydrophobicContact CB-CD2 3.85Å; V327-L361 HydrophobicContact CB-CD2 4.01Å; V327-L361 HydrophobicContact CB-CG 4.48Å; V327-L361 HydrophobicContact CG2-CB 3.94Å; V327-L361 HydrophobicContact CG2-CD2 3.85Å; V327-L361 HydrophobicContact CG2-CG 4Å; G357-L361 PolarHBondContact O-N 3.41Å; I358-L361 PolarHBondContact O-N 2.71Å; A359-L361 PolarHBondContact O-N 3.32Å; L361-M364 PolarHBondContact O-N 2.98Å; L361-A365 PolarHBondContact O-N 3.18Å; L361-F527 HydrophobicContact CD1-CB 4.39Å; L361-F527 HydrophobicContact CD2-CB 4.4Å; L361-L528 HydrophobicContact CD1-CB 3.88Å
362	L	98.1	Very high	94.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-43.9	169.8	-75.9	172.6	0	0	0	111.5	V327 I330 L341 F346 F348 I358 A359 M364 A365 M366 I380	V327-L362 HydrophobicContact CG2-CD2 3.9Å; V327-L362 HydrophobicContact CG2-CG 3.91Å; I330-L362 HydrophobicContact CG1-CD2 4.43Å; I330-L362 HydrophobicContact CG2-CD2 4.23Å; L341-L362 HydrophobicContact CD1-CD2 4.06Å; F346-L362 HydrophobicContact CD1-CD1 3.95Å; F346-L362 HydrophobicContact CD2-CD1 4.42Å; F346-L362 HydrophobicContact CE1-CD1 4.11Å; F346-L362 HydrophobicContact CE1-CD2 4.39Å; F346-L362 HydrophobicContact CG-CD1 4.12Å; F346-L362 HydrophobicContact CZ-CD1 4.43Å; F346-L362 HydrophobicContact CZ-CD2 4.29Å; F348-L362 HydrophobicContact CE2-CD1 4.43Å; F348-L362 HydrophobicContact CZ-CD1 3.99Å; I358-L362 HydrophobicContact CG2-CD1 4.02Å; I358-L362 HydrophobicContact CG2-CG 4.33Å; I358-L362 WeakPolarHBondContact O-CB 3.41Å; I358-L362 WeakPolarHBondContact O-CG 3.24Å; I358-L362 PolarHBondContact O-N 2.89Å; A359-L362 PolarHBondContact O-N 3.45Å; L362-M364 VanDerWaalsContact C-N 3.3Å; L362-M364 PolarHBondContact O-N 3.19Å; L362-A365 WeakPolarHBondContact O-CB 3.3Å; L362-A365 PolarHBondContact O-N 3.11Å; L362-M366 WeakPolarHBondContact O-CG 3.38Å; L362-M366 PolarHBondContact O-N 2.76Å; L362-I380 HydrophobicContact CB-CD1 4.22Å
363	M	97.1	Very high	95	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.03	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-39.6	175.9	-71.2	170.5	60.3	0	0	111.9	A359 H360 M366 A367 R373 A376 A377 I380 E402 F403	A359-M363 VanDerWaalsContact O-CG 3.3Å; A359-M363 WeakPolarHBondContact O-CG 3.47Å; A359-M363 PolarHBondContact O-N 3.4Å; H360-M363 PolarHBondContact O-N 2.84Å; M363-M366 PolarHBondContact O-N 2.98Å; M363-A367 WeakPolarHBondContact O-CB 3.5Å; M363-A367 PolarHBondContact O-N 2.94Å; M363-R373 HydrophobicContact CE-CG 3.32Å; M363-R373 WeakPolarHBondContact CE-O 3.49Å; M363-A376 HydrophobicContact CB-CB 4.12Å; M363-A376 HydrophobicContact CG-CB 3.99Å; M363-A377 HydrophobicContact CE-CB 3.9Å; M363-A377 HydrophobicContact SD-CB 4.22Å; M363-I380 HydrophobicContact CG-CD1 3.65Å; M363-I380 HydrophobicContact SD-CD1 4.33Å; M363-E402 WeakPolarHBondContact CE-OE1 3.04Å; M363-F403 HydrophobicContact SD-CE1 3.43Å; M363-F403 WeakPolarHBondContact SD-CE1 3.2Å; M363-F403 HydrophobicContact SD-CZ 3.54Å; M363-F403 VanDerWaalsContact SD-CZ 3.54Å
364	M	97	Very high	95.1	Very high	55 Å²	55	41.5 Å²	41.5	27%	0.271	23%	0.227	S	C	.	.	H	α-helix	trans	-63.9	-41.6	173.7	-73.7	-174.7	61	0	0	112.3	H360 L361 L362 A367 K368 E524 L528	H360-M364 WeakPolarHBondContact O-CG 3.16Å; H360-M364 PolarHBondContact O-N 2.88Å; L361-M364 PolarHBondContact O-N 2.98Å; L362-M364 VanDerWaalsContact C-N 3.3Å; L362-M364 PolarHBondContact O-N 3.19Å; M364-A367 PolarHBondContact O-N 3.17Å; M364-K368 PolarHBondContact O-N 2.89Å; M364-E524 HydrophobicContact CE-CB 3.63Å; M364-E524 HydrophobicContact SD-CB 3.34Å; M364-E524 WeakPolarHBondContact SD-CB 3.3Å; M364-E524 HydrophobicContact SD-CG 3.9Å; M364-L528 HydrophobicContact CB-CD2 4.43Å
365	A	97.4	Very high	95.1	Very high	4 Å²	4	44 Å²	44	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-44.9	174.8	0	0	0	0	0	111.7	F331 L341 L361 L362 A367 K368 E369 L528	F331-A365 HydrophobicContact CE1-CB 4.12Å; F331-A365 HydrophobicContact CZ-CB 3.77Å; L341-A365 HydrophobicContact CD2-CB 3.52Å; L361-A365 PolarHBondContact O-N 3.18Å; L362-A365 WeakPolarHBondContact O-CB 3.3Å; L362-A365 PolarHBondContact O-N 3.11Å; A365-A367 VanDerWaalsContact C-N 3.34Å; A365-A367 PolarHBondContact O-N 3.26Å; A365-K368 WeakPolarHBondContact O-CB 3.28Å; A365-K368 PolarHBondContact O-N 3.16Å; A365-E369 PolarHBondContact O-N 2.94Å; A365-L528 HydrophobicContact CB-CD1 3.85Å
366	M	96.8	Very high	95.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-37.8	174.9	-69.1	-179.9	-174.3	0	0	112.4	L341 L342 F346 L362 M363 K368 E369 G370 V371 A376 K379	L341-M366 HydrophobicContact CD1-CE 4.46Å; L341-M366 HydrophobicContact CD2-CG 3.6Å; L341-M366 HydrophobicContact CG-CE 4.01Å; L341-M366 HydrophobicContact CG-CG 3.84Å; L342-M366 HydrophobicContact CD2-CB 3.76Å; L342-M366 HydrophobicContact CD2-CG 3.76Å; L342-M366 HydrophobicContact CD2-SD 4.17Å; F346-M366 HydrophobicContact CD2-CE 3.99Å; F346-M366 HydrophobicContact CE2-CE 3.43Å; F346-M366 VanDerWaalsContact CE2-CE 3.43Å; F346-M366 HydrophobicContact CZ-CE 4.39Å; L362-M366 WeakPolarHBondContact O-CG 3.38Å; L362-M366 PolarHBondContact O-N 2.76Å; M363-M366 PolarHBondContact O-N 2.98Å; M366-K368 VanDerWaalsContact C-N 3.3Å; M366-K368 PolarHBondContact O-N 2.82Å; M366-E369 WeakPolarHBondContact O-CA 3.14Å; M366-E369 WeakPolarHBondContact O-CB 3.34Å; M366-E369 PolarHBondContact O-N 3.38Å; M366-E369 VanDerWaalsContact O-N 3.1Å; M366-G370 PolarHBondContact O-N 2.93Å; M366-V371 PolarHBondContact O-N 3.5Å; M366-A376 HydrophobicContact CB-CB 3.8Å; M366-A376 HydrophobicContact CG-CB 4.43Å; M366-A376 HydrophobicContact SD-CB 3.77Å; M366-K379 HydrophobicContact CE-CB 4.06Å; M366-K379 HydrophobicContact SD-CB 4.3Å; M366-K379 HydrophobicContact SD-CG 4.4Å
367	A	95.5	Very high	95.3	Very high	46 Å²	46	44.1 Å²	44.1	38%	0.38	24%	0.239	S	C	.	.	H	α-helix	trans	-65.4	-34.9	175.6	0	0	0	0	0	112.1	M363 M364 A365 E369 G370 V371	M363-A367 WeakPolarHBondContact O-CB 3.5Å; M363-A367 PolarHBondContact O-N 2.94Å; M364-A367 PolarHBondContact O-N 3.17Å; A365-A367 VanDerWaalsContact C-N 3.34Å; A365-A367 PolarHBondContact O-N 3.26Å; A367-E369 PolarHBondContact O-N 3.4Å; A367-G370 WeakPolarHBondContact O-CA 3.39Å; A367-G370 PolarHBondContact O-N 3.38Å; A367-V371 WeakPolarHBondContact CA-O 3.11Å
368	K	94.1	Very high	95.3	Very high	131 Å²	131	49.5 Å²	49.5	57%	0.57	26%	0.26	S	S	*	.	H	α-helix	trans	-64.8	-26.5	172.4	-168.3	177.7	178	-178	0	112.6	M364 A365 M366 G370 L528 E532	M364-K368 PolarHBondContact O-N 2.89Å; A365-K368 WeakPolarHBondContact O-CB 3.28Å; A365-K368 PolarHBondContact O-N 3.16Å; M366-K368 VanDerWaalsContact C-N 3.3Å; M366-K368 PolarHBondContact O-N 2.82Å; K368-G370 PolarHBondContact O-N 2.95Å; K368-L528 HydrophobicContact CD-CD2 4.15Å; K368-E532 IonicContact NZ-OE1 3.08Å; K368-E532 PolarHBondContact NZ-OE1 3.1Å; K368-E532 IonicContact NZ-OE2 2.76Å; K368-E532 PolarHBondContact NZ-OE2 3.01Å
369	E	92.2	Very high	95.3	Very high	86 Å²	86	52.7 Å²	52.7	40%	0.402	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	0.2	170.1	-65.5	-172.8	-169.1	0	0	113.7	L341 L342 A365 M366 A367	L341-E369 WeakPolarHBondContact CB-OE1 3.43Å; L342-E369 HydrophobicContact CD1-CB 4.16Å; A365-E369 PolarHBondContact O-N 2.94Å; M366-E369 WeakPolarHBondContact O-CA 3.14Å; M366-E369 WeakPolarHBondContact O-CB 3.34Å; M366-E369 PolarHBondContact O-N 3.38Å; M366-E369 VanDerWaalsContact O-N 3.1Å; A367-E369 PolarHBondContact O-N 3.4Å
370	G	91.5	Very high	95.3	Very high	68 Å²	68	52.7 Å²	52.7	70%	0.701	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.1	13.3	172.1	0	0	0	0	0	115.6	M366 A367 K368	M366-G370 PolarHBondContact O-N 2.93Å; A367-G370 WeakPolarHBondContact O-CA 3.39Å; A367-G370 PolarHBondContact O-N 3.38Å; K368-G370 PolarHBondContact O-N 2.95Å
371	V	94.8	Very high	95.4	Very high	41 Å²	41	51.8 Å²	51.8	25%	0.248	27%	0.269	C	S	.	.			trans	-96.1	148.4	180	176.9	0	0	0	0	111.8	L342 M366 A367 D375	L342-V371 HydrophobicContact CD1-CG2 3.36Å; L342-V371 HydrophobicContact CD2-CB 3.9Å; L342-V371 HydrophobicContact CD2-CG1 4.23Å; L342-V371 HydrophobicContact CD2-CG2 3.51Å; L342-V371 HydrophobicContact CG-CG2 4.06Å; M366-V371 PolarHBondContact O-N 3.5Å; A367-V371 WeakPolarHBondContact CA-O 3.11Å; V371-D375 HydrophobicContact CG1-CB 3.42Å; V371-D375 VanDerWaalsContact CG1-CB 3.42Å
372	S	94.8	Very high	95.4	Very high	51 Å²	51	51.7 Å²	51.7	36%	0.357	27%	0.268	S	S	.	.			trans	-64.8	152.3	176.8	79.4	0	0	0	0	111	E374 D375 A376	S372-E374 PolarHBondContact O-N 2.77Å; S372-D375 PolarHBondContact O-N 3.43Å; S372-D375 WeakPolarHBondContact OG-CB 3.05Å; S372-D375 PolarHBondContact OG-N 2.87Å; S372-D375 PolarHBondContact OG-OD2 3.4Å; S372-A376 PolarHBondContact O-N 3.21Å
373	R	92.3	Very high	95.3	Very high	149 Å²	149	52.2 Å²	52.2	56%	0.562	27%	0.271	S	S	*	.	H	α-helix	trans	-56.7	-38	175.3	-172.3	177.7	175.1	132.2	0.6	111.7	M363 A376 A377 E402	M363-R373 HydrophobicContact CE-CG 3.32Å; M363-R373 WeakPolarHBondContact CE-O 3.49Å; R373-A376 PolarHBondContact O-N 3.25Å; R373-A377 PolarHBondContact O-N 2.99Å; R373-E402 IonicContact CZ-OE1 3.17Å; R373-E402 IonicContact NE-OE1 2.75Å; R373-E402 PolarHBondContact NE-OE1 3.49Å; R373-E402 IonicContact NH2-OE1 2.75Å; R373-E402 PolarHBondContact NH2-OE1 3.03Å; R373-E402 IonicContact NH2-OE2 3.27Å; R373-E402 PolarHBondContact NH2-OE2 2.85Å
374	E	91	Very high	95.1	Very high	151 Å²	151	53.1 Å²	53.1	71%	0.706	28%	0.277	S	S	*	.	H	α-helix	trans	-66.7	-41.7	179.4	-64.9	173.5	-173.2	0	0	112.1	S372 A377 K378	S372-E374 PolarHBondContact O-N 2.77Å; E374-A377 PolarHBondContact O-N 3.13Å; E374-K378 WeakPolarHBondContact O-CG 3.46Å; E374-K378 PolarHBondContact O-N 3.25Å
375	D	93.8	Very high	94.8	Very high	70 Å²	70	56.4 Å²	56.4	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-72.9	-33.5	178.2	-66.7	-40.5	0	0	0	112.2	V371 S372 K378	V371-D375 HydrophobicContact CG1-CB 3.42Å; V371-D375 VanDerWaalsContact CG1-CB 3.42Å; S372-D375 PolarHBondContact O-N 3.43Å; S372-D375 WeakPolarHBondContact OG-CB 3.05Å; S372-D375 PolarHBondContact OG-N 2.87Å; S372-D375 PolarHBondContact OG-OD2 3.4Å; D375-K378 PolarHBondContact O-N 3.31Å; D375-K378 IonicContact OD1-NZ 2.75Å; D375-K378 PolarHBondContact OD1-NZ 2.66Å
376	A	95.5	Very high	94.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-42.8	170.8	0	0	0	0	0	111.4	M363 M366 S372 R373 K378 K379	M363-A376 HydrophobicContact CB-CB 4.12Å; M363-A376 HydrophobicContact CG-CB 3.99Å; M366-A376 HydrophobicContact CB-CB 3.8Å; M366-A376 HydrophobicContact CG-CB 4.43Å; M366-A376 HydrophobicContact SD-CB 3.77Å; S372-A376 PolarHBondContact O-N 3.21Å; R373-A376 PolarHBondContact O-N 3.25Å; A376-K378 VanDerWaalsContact C-N 3.29Å; A376-K378 PolarHBondContact O-N 2.81Å; A376-K379 WeakPolarHBondContact O-CB 3.49Å; A376-K379 PolarHBondContact O-N 3.05Å; A376-K379 VanDerWaalsContact O-N 3.12Å
377	A	94.9	Very high	94.3	Very high	8 Å²	8	61.4 Å²	61.4	7%	0.066	33%	0.326	C	S	.	.	H	α-helix	trans	-60.3	-36.3	177.9	0	0	0	0	0	112.5	M363 R373 E374 K379 I380 H405	M363-A377 HydrophobicContact CE-CB 3.9Å; M363-A377 HydrophobicContact SD-CB 4.22Å; R373-A377 PolarHBondContact O-N 2.99Å; E374-A377 PolarHBondContact O-N 3.13Å; A377-K379 PolarHBondContact O-N 3.25Å; A377-K379 VanDerWaalsContact O-N 3.11Å; A377-I380 PolarHBondContact O-N 2.96Å; A377-H405 PolarHBondContact O-CE1 3.05Å; A377-H405 PolarHBondContact O-NE2 3.18Å
378	K	95.6	Very high	94.4	Very high	119 Å²	119	59.2 Å²	59.2	52%	0.517	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.6	177.3	-68.7	170.6	-166	161	0	114	E374 D375 A376 I380	E374-K378 WeakPolarHBondContact O-CG 3.46Å; E374-K378 PolarHBondContact O-N 3.25Å; D375-K378 PolarHBondContact O-N 3.31Å; D375-K378 IonicContact OD1-NZ 2.75Å; D375-K378 PolarHBondContact OD1-NZ 2.66Å; A376-K378 VanDerWaalsContact C-N 3.29Å; A376-K378 PolarHBondContact O-N 2.81Å; K378-I380 VanDerWaalsContact C-N 3.34Å
379	K	97.3	Very high	94.4	Very high	67 Å²	67	53 Å²	53	29%	0.291	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.9	177.4	-62	-69	-174.8	150.8	0	113.1	L342 T345 F346 M366 A376 A377	L342-K379 WeakPolarHBondContact O-CE 3.18Å; L342-K379 PolarHBondContact O-NZ 3.4Å; T345-K379 WeakPolarHBondContact CA-O 3.38Å; F346-K379 PolarHBondContact N-O 2.67Å; M366-K379 HydrophobicContact CE-CB 4.06Å; M366-K379 HydrophobicContact SD-CB 4.3Å; M366-K379 HydrophobicContact SD-CG 4.4Å; A376-K379 WeakPolarHBondContact O-CB 3.49Å; A376-K379 PolarHBondContact O-N 3.05Å; A376-K379 VanDerWaalsContact O-N 3.12Å; A377-K379 PolarHBondContact O-N 3.25Å; A377-K379 VanDerWaalsContact O-N 3.11Å
380	I	98.2	Very high	94.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.2	-170.9	-62.3	170.8	0	0	0	110.6	F346 F348 A359 L362 M363 A377 K378 M382 F403 H405	F346-I380 HydrophobicContact CB-CG1 4.43Å; F346-I380 HydrophobicContact CD2-CG1 4.42Å; F348-I380 HydrophobicContact CD2-CG2 3.88Å; F348-I380 HydrophobicContact CE2-CG2 3.71Å; A359-I380 HydrophobicContact CB-CD1 4.1Å; A359-I380 HydrophobicContact CB-CG2 3.94Å; A359-I380 WeakPolarHBondContact O-CD1 3.32Å; L362-I380 HydrophobicContact CB-CD1 4.22Å; M363-I380 HydrophobicContact CG-CD1 3.65Å; M363-I380 HydrophobicContact SD-CD1 4.33Å; A377-I380 PolarHBondContact O-N 2.96Å; K378-I380 VanDerWaalsContact C-N 3.34Å; I380-M382 HydrophobicContact CG2-CE 4.04Å; I380-M382 HydrophobicContact CG2-CG 4.47Å; I380-F403 HydrophobicContact CB-CD1 3.91Å; I380-F403 HydrophobicContact CB-CE1 3.98Å; I380-F403 HydrophobicContact CD1-CE1 4.05Å; I380-F403 HydrophobicContact CG2-CD1 3.66Å; I380-F403 HydrophobicContact CG2-CE1 3.76Å; I380-H405 PolarHBondContact O-NE2 3.27Å
381	W	98.3	Very high	94.6	Very high	33 Å²	33	52.9 Å²	52.9	13%	0.125	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.4	179.7	-61	81.3	0	0	0	109.9	F346 V347 F348 L388 H405 H407 I420	F346-W381 PolarHBondContact O-N 2.82Å; V347-W381 CarbonylContact C-O 3.58Å; V347-W381 WeakPolarHBondContact CA-O 3.32Å; V347-W381 HydrophobicContact CG2-CB 3.87Å; V347-W381 HydrophobicContact CG2-CG 4.44Å; F348-W381 PolarHBondContact N-O 2.72Å; W381-L388 HydrophobicContact CB-CD1 4.49Å; W381-L388 HydrophobicContact CE3-CD1 4.18Å; W381-L388 HydrophobicContact CE3-CD2 4.25Å; W381-L388 HydrophobicContact CZ3-CD2 4.36Å; W381-H405 AromaticContact CD2-CD2 3.68Å; W381-H405 AromaticContact CE2-CD2 3.88Å; W381-H405 HydrophobicContact CE3-CB 4.42Å; W381-H405 AromaticContact CE3-CD2 3.52Å; W381-H405 HydrophobicContact CH2-CB 3.7Å; W381-H405 AromaticContact CH2-CD2 3.85Å; W381-H405 AromaticContact CH2-CG 3.96Å; W381-H405 HydrophobicContact CZ2-CB 4.48Å; W381-H405 AromaticContact CZ2-CD2 3.97Å; W381-H405 HydrophobicContact CZ3-CB 3.67Å; W381-H405 AromaticContact CZ3-CD2 3.62Å; W381-H405 AromaticContact CZ3-CG 3.98Å; W381-H407 HydrophobicContact CH2-CB 4.15Å; W381-H407 HydrophobicContact CZ3-CB 3.86Å; W381-H407 AromaticContact CZ3-CG 3.97Å; W381-I420 HydrophobicContact CD2-CD1 3.86Å; W381-I420 HydrophobicContact CD2-CG1 4.22Å; W381-I420 HydrophobicContact CD2-CG2 4.25Å; W381-I420 HydrophobicContact CE3-CD1 3.82Å; W381-I420 HydrophobicContact CE3-CG1 4.37Å; W381-I420 HydrophobicContact CG-CG1 4.48Å; W381-I420 HydrophobicContact CG-CG2 3.99Å; W381-I420 HydrophobicContact CH2-CD1 3.93Å; W381-I420 HydrophobicContact CZ2-CD1 3.98Å; W381-I420 HydrophobicContact CZ3-CD1 3.85Å
382	M	97.2	Very high	94.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138	-176.1	-62.8	-174.5	178.7	0	0	112	F348 A351 M356 A359 I380 I389 F403	F348-M382 HydrophobicContact CB-CG 4.12Å; F348-M382 HydrophobicContact CD2-CG 4.41Å; A351-M382 HydrophobicContact CB-CB 4.35Å; A351-M382 HydrophobicContact CB-SD 4.34Å; M356-M382 HydrophobicContact CE-CE 4.46Å; M356-M382 HydrophobicContact SD-CE 3.77Å; M356-M382 HydrophobicContact SD-SD 3.55Å; A359-M382 HydrophobicContact CB-CE 3.24Å; I380-M382 HydrophobicContact CG2-CE 4.04Å; I380-M382 HydrophobicContact CG2-CG 4.47Å; M382-I389 HydrophobicContact CB-CD1 3.79Å; M382-I389 WeakPolarHBondContact O-CB 3.22Å; M382-I389 PolarHBondContact O-N 3.26Å; M382-F403 HydrophobicContact CE-CB 4.47Å; M382-F403 HydrophobicContact CE-CD1 4.02Å; M382-F403 HydrophobicContact CE-CD2 3.48Å; M382-F403 VanDerWaalsContact CE-CD2 3.48Å; M382-F403 HydrophobicContact CE-CE1 4.09Å; M382-F403 HydrophobicContact CE-CE2 3.59Å; M382-F403 HydrophobicContact CE-CG 3.71Å; M382-F403 HydrophobicContact CE-CZ 3.89Å; M382-F403 HydrophobicContact CG-CB 4.4Å; M382-F403 HydrophobicContact SD-CB 4.18Å; M382-F403 HydrophobicContact SD-CD2 3.82Å; M382-F403 HydrophobicContact SD-CE2 4.45Å; M382-F403 HydrophobicContact SD-CG 3.99Å
383	V	95.7	Very high	93.8	Very high	11 Å²	11	54 Å²	54	7%	0.067	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.9	176.8	-175.1	0	0	0	0	108.6	F348 G350 L388 L413 V416	F348-V383 PolarHBondContact O-N 2.79Å; G350-V383 CarbonylContact C-O 3.46Å; G350-V383 VanDerWaalsContact CA-O 3.27Å; G350-V383 WeakPolarHBondContact CA-O 3.38Å; G350-V383 PolarHBondContact N-O 3.03Å; V383-L388 HydrophobicContact CG2-CD1 4.09Å; V383-L413 HydrophobicContact CB-CD1 4.48Å; V383-L413 HydrophobicContact CG2-CD1 4.03Å; V383-V416 HydrophobicContact CG2-CB 4.25Å; V383-V416 HydrophobicContact CG2-CG1 3.98Å; V383-V416 HydrophobicContact CG2-CG2 3.96Å
384	D	92.8	Very high	93.2	Very high	26 Å²	26	49.3 Å²	49.3	14%	0.139	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	-169.1	171.1	71.6	6.4	0	0	0	111.8	A351 K386 G387 R393 K400	A351-D384 HydrophobicContact CB-CB 4.01Å; D384-K386 PolarHBondContact O-N 3.47Å; D384-K386 PolarHBondContact OD1-N 3.22Å; D384-G387 PolarHBondContact N-O 3.13Å; D384-G387 PolarHBondContact O-N 3.26Å; D384-R393 IonicContact OD1-CZ 2.66Å; D384-R393 IonicContact OD1-NH1 2.73Å; D384-R393 PolarHBondContact OD1-NH1 3.08Å; D384-R393 IonicContact OD1-NH2 3.48Å; D384-R393 PolarHBondContact OD1-NH2 2.94Å; D384-R393 IonicContact OD2-CZ 2.63Å; D384-R393 IonicContact OD2-NH1 2.63Å; D384-R393 IonicContact OD2-NH2 3.84Å; D384-R393 PolarHBondContact OD2-NH2 3.3Å; D384-K400 IonicContact OD2-NZ 3.39Å; D384-K400 PolarHBondContact OD2-NZ 3.48Å
385	S	90.8	Very high	92.4	Very high	123 Å²	123	48.5 Å²	48.5	86%	0.86	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.2	-178.7	57.6	0	0	0	0	114.4
386	K	91.4	Very high	91.8	Very high	107 Å²	107	47.3 Å²	47.3	47%	0.465	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	5.7	177	-59.5	-178.3	-177.4	175.6	0	112.9	D384 N395 H409	D384-K386 PolarHBondContact O-N 3.47Å; D384-K386 PolarHBondContact OD1-N 3.22Å; K386-N395 PolarHBondContact NZ-ND2 2.99Å; K386-H409 PolarHBondContact O-CE1 3.34Å; K386-H409 PolarHBondContact O-NE2 2.9Å
387	G	93.4	Very high	91	Very high	2 Å²	2	51 Å²	51	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	98.3	-158.5	-176.9	0	0	0	0	0	113.2	D384 R393 L410 K411	D384-G387 PolarHBondContact N-O 3.13Å; D384-G387 PolarHBondContact O-N 3.26Å; G387-R393 PolarHBondContact O-NH1 3.29Å; G387-L410 WeakPolarHBondContact CA-O 3.38Å; G387-K411 WeakPolarHBondContact CA-O 3.31Å
388	L	96.5	Very high	90.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	136.5	-176.7	-170.9	65.2	0	0	0	111.5	W381 V383 V390 R393 H409 L410 V416	W381-L388 HydrophobicContact CB-CD1 4.49Å; W381-L388 HydrophobicContact CE3-CD1 4.18Å; W381-L388 HydrophobicContact CE3-CD2 4.25Å; W381-L388 HydrophobicContact CZ3-CD2 4.36Å; V383-L388 HydrophobicContact CG2-CD1 4.09Å; L388-V390 HydrophobicContact CB-CG1 4.32Å; L388-V390 HydrophobicContact CD2-CG1 3.68Å; L388-V390 HydrophobicContact CG-CG1 3.76Å; L388-R393 WeakPolarHBondContact O-CD 3.37Å; L388-R393 PolarHBondContact O-NH1 2.92Å; L388-H409 PolarHBondContact O-CE1 3.5Å; L388-H409 PolarHBondContact O-ND1 3.34Å; L388-H409 VanDerWaalsContact O-ND1 3.16Å; L388-L410 HydrophobicContact CB-CB 4.17Å; L388-L410 HydrophobicContact CD2-CB 4.39Å; L388-L410 HydrophobicContact CD2-CD1 4.25Å; L388-L410 HydrophobicContact CD2-CG 4.34Å; L388-L410 PolarHBondContact N-O 2.93Å; L388-V416 HydrophobicContact CB-CG2 3.88Å; L388-V416 HydrophobicContact CD1-CG1 3.88Å; L388-V416 HydrophobicContact CD1-CG2 3.91Å; L388-V416 HydrophobicContact CD2-CG2 4.31Å; L388-V416 HydrophobicContact CG-CG2 4.25Å
389	I	95	Very high	89.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.31	C	S	.	.			trans	-79.5	117.1	171.6	-68.8	169.3	0	0	0	108.5	A351 M382 L396 K400 A404	A351-I389 HydrophobicContact CB-CD1 3.53Å; M382-I389 HydrophobicContact CB-CD1 3.79Å; M382-I389 WeakPolarHBondContact O-CB 3.22Å; M382-I389 PolarHBondContact O-N 3.26Å; I389-L396 HydrophobicContact CB-CD2 4.48Å; I389-L396 HydrophobicContact CG1-CD2 4.13Å; I389-L396 HydrophobicContact CG2-CD1 4.27Å; I389-L396 HydrophobicContact CG2-CD2 3.82Å; I389-K400 HydrophobicContact CD1-CB 4.1Å; I389-K400 HydrophobicContact CD1-CD 3.79Å; I389-K400 HydrophobicContact CD1-CG 3.8Å; I389-K400 HydrophobicContact CG2-CB 4.46Å; I389-A404 HydrophobicContact CG2-CB 3.92Å
390	V	95.5	Very high	89	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.03	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-140.8	157.4	-177.4	-61.5	0	0	0	0	110.5	L388 R393 H405 H407 H409	L388-V390 HydrophobicContact CB-CG1 4.32Å; L388-V390 HydrophobicContact CD2-CG1 3.68Å; L388-V390 HydrophobicContact CG-CG1 3.76Å; V390-R393 HydrophobicContact CG2-CB 4.18Å; V390-R393 VanDerWaalsContact O-CB 3.23Å; V390-R393 WeakPolarHBondContact O-CB 3.22Å; V390-R393 PolarHBondContact O-N 3.17Å; V390-H405 CarbonylContact C-O 3.56Å; V390-H405 WeakPolarHBondContact CA-O 3.11Å; V390-H405 WeakPolarHBondContact CB-O 3.29Å; V390-H407 WeakPolarHBondContact CB-O 3.39Å; V390-H407 HydrophobicContact CG1-CB 3.99Å; V390-H407 WeakPolarHBondContact CG1-O 3.41Å; V390-H409 HydrophobicContact CG2-CB 4.03Å
391	K	92.2	Very high	88.5	Confident	147 Å²	147	56.2 Å²	56.2	64%	0.639	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	137.8	178.1	-166.7	174.5	178.6	-178.2	0	110.8	R393 H405	K391-R393 VanDerWaalsContact C-N 3.26Å; K391-R393 PolarHBondContact O-N 3.22Å; K391-H405 PolarHBondContact N-O 3.07Å
392	G	85	Confident	88.1	Confident	82 Å²	82	57.7 Å²	57.7	85%	0.845	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-2	-178.7	0	0	0	0	0	115
393	R	86.7	Confident	87.9	Confident	34 Å²	34	57.7 Å²	57.7	13%	0.128	33%	0.332	C	S	.	.			trans	-69.6	129.6	171.1	-160.4	-174.7	87.6	165.5	12.8	110	D384 G387 L388 V390 K391 L396	D384-R393 IonicContact OD1-CZ 2.66Å; D384-R393 IonicContact OD1-NH1 2.73Å; D384-R393 PolarHBondContact OD1-NH1 3.08Å; D384-R393 IonicContact OD1-NH2 3.48Å; D384-R393 PolarHBondContact OD1-NH2 2.94Å; D384-R393 IonicContact OD2-CZ 2.63Å; D384-R393 IonicContact OD2-NH1 2.63Å; D384-R393 IonicContact OD2-NH2 3.84Å; D384-R393 PolarHBondContact OD2-NH2 3.3Å; G387-R393 PolarHBondContact O-NH1 3.29Å; L388-R393 WeakPolarHBondContact O-CD 3.37Å; L388-R393 PolarHBondContact O-NH1 2.92Å; V390-R393 HydrophobicContact CG2-CB 4.18Å; V390-R393 VanDerWaalsContact O-CB 3.23Å; V390-R393 WeakPolarHBondContact O-CB 3.22Å; V390-R393 PolarHBondContact O-N 3.17Å; K391-R393 VanDerWaalsContact C-N 3.26Å; K391-R393 PolarHBondContact O-N 3.22Å; R393-L396 HydrophobicContact CB-CD1 4.18Å; R393-L396 HydrophobicContact CB-CG 4.41Å
394	G	81.1	Confident	87.9	Confident	51 Å²	51	58 Å²	58	53%	0.526	34%	0.336	S	S	.	.	S	Bend	trans	-65.8	156.9	175.1	0	0	0	0	0	113
395	N	73.8	Confident	87.9	Confident	134 Å²	134	58 Å²	58	72%	0.717	34%	0.335	S	S	*	.	S	Bend	trans	61.5	38.7	177.7	-55.9	-56.4	0	0	0	115.3	K386	K386-N395 PolarHBondContact NZ-ND2 2.99Å
396	L	81.1	Confident	88.1	Confident	45 Å²	45	60.4 Å²	60.4	24%	0.236	33%	0.333	C	S	.	.			trans	-89.3	128.8	165.5	-63.4	177.1	0	0	0	108.9	I389 R393 K400 A404	I389-L396 HydrophobicContact CB-CD2 4.48Å; I389-L396 HydrophobicContact CG1-CD2 4.13Å; I389-L396 HydrophobicContact CG2-CD1 4.27Å; I389-L396 HydrophobicContact CG2-CD2 3.82Å; R393-L396 HydrophobicContact CB-CD1 4.18Å; R393-L396 HydrophobicContact CB-CG 4.41Å; L396-K400 HydrophobicContact CD2-CB 4.05Å; L396-K400 HydrophobicContact CD2-CD 4.32Å; L396-A404 HydrophobicContact CD1-CB 3.81Å
397	N	77.8	Confident	88.3	Confident	76 Å²	76	57.7 Å²	57.7	41%	0.406	32%	0.321	S	S	.	.			trans	-74.5	169.1	165.7	63	-8.6	0	0	0	109.7	E399 K400 A401	N397-E399 WeakPolarHBondContact CB-OE2 3.37Å; N397-E399 PolarHBondContact ND2-OE2 2.96Å; N397-E399 PolarHBondContact O-N 3.05Å; N397-K400 PolarHBondContact O-N 3.26Å; N397-K400 WeakPolarHBondContact OD1-CB 3.43Å; N397-K400 VanDerWaalsContact OD1-CD 3.27Å; N397-K400 WeakPolarHBondContact OD1-CD 3.48Å; N397-K400 WeakPolarHBondContact OD1-CG 3.42Å; N397-K400 PolarHBondContact OD1-N 3.49Å; N397-A401 PolarHBondContact O-N 3.48Å; N397-A401 VanDerWaalsContact O-N 3.14Å
398	H	80.8	Confident	88.3	Confident	165 Å²	165	62.1 Å²	62.1	76%	0.764	35%	0.35	S	S	*	.	H	α-helix	trans	-56.9	-39.3	-177.3	178.4	61.6	0	0	0	111.8	A401	H398-A401 WeakPolarHBondContact O-CB 2.88Å; H398-A401 PolarHBondContact O-N 3.14Å
399	E	80.4	Confident	88.2	Confident	54 Å²	54	66.3 Å²	66.3	25%	0.252	37%	0.369	S	S	.	.	H	α-helix	trans	-67.9	-43.4	-177.3	-54.1	81.3	177.9	0	0	111.1	M356 N397 A401	M356-E399 VanDerWaalsContact CE-C 3.4Å; M356-E399 HydrophobicContact CE-CB 3.76Å; M356-E399 WeakPolarHBondContact CE-O 3.29Å; N397-E399 WeakPolarHBondContact CB-OE2 3.37Å; N397-E399 PolarHBondContact ND2-OE2 2.96Å; N397-E399 PolarHBondContact O-N 3.05Å; E399-A401 VanDerWaalsContact C-N 3.28Å; E399-A401 PolarHBondContact O-N 3.21Å
400	K	85.8	Confident	88.2	Confident	34 Å²	34	67.5 Å²	67.5	15%	0.148	38%	0.376	C	S	.	.	H	α-helix	trans	-69.4	-24.7	176.3	-72	172.8	-176.9	-170.5	0	113.4	A351 D384 I389 L396 N397 E402 F403 A404	A351-K400 HydrophobicContact CB-CD 4.35Å; A351-K400 HydrophobicContact CB-CG 4.38Å; A351-K400 WeakPolarHBondContact O-CE 3.09Å; D384-K400 IonicContact OD2-NZ 3.39Å; D384-K400 PolarHBondContact OD2-NZ 3.48Å; I389-K400 HydrophobicContact CD1-CB 4.1Å; I389-K400 HydrophobicContact CD1-CD 3.79Å; I389-K400 HydrophobicContact CD1-CG 3.8Å; I389-K400 HydrophobicContact CG2-CB 4.46Å; L396-K400 HydrophobicContact CD2-CB 4.05Å; L396-K400 HydrophobicContact CD2-CD 4.32Å; N397-K400 PolarHBondContact O-N 3.26Å; N397-K400 WeakPolarHBondContact OD1-CB 3.43Å; N397-K400 VanDerWaalsContact OD1-CD 3.27Å; N397-K400 WeakPolarHBondContact OD1-CD 3.48Å; N397-K400 WeakPolarHBondContact OD1-CG 3.42Å; N397-K400 PolarHBondContact OD1-N 3.49Å; K400-E402 PolarHBondContact O-N 3.42Å; K400-F403 PolarHBondContact O-N 3.2Å; K400-F403 VanDerWaalsContact O-N 3.17Å; K400-A404 PolarHBondContact O-N 2.99Å
401	A	87.9	Confident	88.1	Confident	52 Å²	52	74.9 Å²	74.9	43%	0.43	41%	0.407	S	S	.	.	H	α-helix	trans	-63.4	-27.5	-178.4	0	0	0	0	0	112.5	N397 H398 E399 F403 A404	N397-A401 PolarHBondContact O-N 3.48Å; N397-A401 VanDerWaalsContact O-N 3.14Å; H398-A401 WeakPolarHBondContact O-CB 2.88Å; H398-A401 PolarHBondContact O-N 3.14Å; E399-A401 VanDerWaalsContact C-N 3.28Å; E399-A401 PolarHBondContact O-N 3.21Å; A401-F403 PolarHBondContact O-N 2.83Å; A401-A404 WeakPolarHBondContact O-CB 3.34Å; A401-A404 PolarHBondContact O-N 2.95Å
402	E	89.9	Confident	88.3	Confident	63 Å²	63	70.8 Å²	70.8	29%	0.294	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.2	176.4	-174.6	168.5	-154.3	0	0	113	H360 M363 R373 K400	H360-E402 IonicContact CD2-OE2 2.79Å; H360-E402 PolarHBondContact CD2-OE2 3.05Å; H360-E402 IonicContact CE1-OE2 2.74Å; H360-E402 IonicContact NE2-OE2 3.69Å; H360-E402 PolarHBondContact NE2-OE2 3.37Å; M363-E402 WeakPolarHBondContact CE-OE1 3.04Å; R373-E402 IonicContact CZ-OE1 3.17Å; R373-E402 IonicContact NE-OE1 2.75Å; R373-E402 PolarHBondContact NE-OE1 3.49Å; R373-E402 IonicContact NH2-OE1 2.75Å; R373-E402 PolarHBondContact NH2-OE1 3.03Å; R373-E402 IonicContact NH2-OE2 3.27Å; R373-E402 PolarHBondContact NH2-OE2 2.85Å; K400-E402 PolarHBondContact O-N 3.42Å
403	F	93.6	Very high	88.9	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	11.7	-179.3	-57.2	-77.4	0	0	0	112.9	M356 A359 H360 M363 I380 M382 K400 A401 H405	M356-F403 HydrophobicContact CE-CD2 3.67Å; M356-F403 HydrophobicContact CE-CE2 3.41Å; M356-F403 VanDerWaalsContact CE-CE2 3.41Å; M356-F403 HydrophobicContact SD-CD2 4.33Å; M356-F403 HydrophobicContact SD-CE2 4.32Å; A359-F403 HydrophobicContact CB-CE1 3.85Å; A359-F403 HydrophobicContact CB-CE2 4.23Å; A359-F403 HydrophobicContact CB-CZ 3.54Å; H360-F403 AromaticContact CD2-CZ 3.84Å; H360-F403 AromaticContact NE2-CE2 3.91Å; M363-F403 HydrophobicContact SD-CE1 3.43Å; M363-F403 WeakPolarHBondContact SD-CE1 3.2Å; M363-F403 HydrophobicContact SD-CZ 3.54Å; M363-F403 VanDerWaalsContact SD-CZ 3.54Å; I380-F403 HydrophobicContact CB-CD1 3.91Å; I380-F403 HydrophobicContact CB-CE1 3.98Å; I380-F403 HydrophobicContact CD1-CE1 4.05Å; I380-F403 HydrophobicContact CG2-CD1 3.66Å; I380-F403 HydrophobicContact CG2-CE1 3.76Å; M382-F403 HydrophobicContact CE-CB 4.47Å; M382-F403 HydrophobicContact CE-CD1 4.02Å; M382-F403 HydrophobicContact CE-CD2 3.48Å; M382-F403 VanDerWaalsContact CE-CD2 3.48Å; M382-F403 HydrophobicContact CE-CE1 4.09Å; M382-F403 HydrophobicContact CE-CE2 3.59Å; M382-F403 HydrophobicContact CE-CG 3.71Å; M382-F403 HydrophobicContact CE-CZ 3.89Å; M382-F403 HydrophobicContact CG-CB 4.4Å; M382-F403 HydrophobicContact SD-CB 4.18Å; M382-F403 HydrophobicContact SD-CD2 3.82Å; M382-F403 HydrophobicContact SD-CE2 4.45Å; M382-F403 HydrophobicContact SD-CG 3.99Å; K400-F403 PolarHBondContact O-N 3.2Å; K400-F403 VanDerWaalsContact O-N 3.17Å; A401-F403 PolarHBondContact O-N 2.83Å; F403-H405 PolarHBondContact O-CD2 3.01Å; F403-H405 PolarHBondContact O-N 3.03Å
404	A	93.8	Very high	89.4	Confident	18 Å²	18	69.4 Å²	69.4	15%	0.149	37%	0.368	C	S	.	.			trans	-87.2	85.3	-178.2	0	0	0	0	0	111.1	I389 L396 K400 A401	I389-A404 HydrophobicContact CG2-CB 3.92Å; L396-A404 HydrophobicContact CD1-CB 3.81Å; K400-A404 PolarHBondContact O-N 2.99Å; A401-A404 WeakPolarHBondContact O-CB 3.34Å; A401-A404 PolarHBondContact O-N 2.95Å
405	H	93.8	Very high	90.2	Very high	26 Å²	26	70.4 Å²	70.4	12%	0.12	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-73	156.4	-179.4	-56.5	-52.3	0	0	0	113	A377 I380 W381 V390 K391 F403 H407	A377-H405 PolarHBondContact O-CE1 3.05Å; A377-H405 PolarHBondContact O-NE2 3.18Å; I380-H405 PolarHBondContact O-NE2 3.27Å; W381-H405 AromaticContact CD2-CD2 3.68Å; W381-H405 AromaticContact CE2-CD2 3.88Å; W381-H405 HydrophobicContact CE3-CB 4.42Å; W381-H405 AromaticContact CE3-CD2 3.52Å; W381-H405 HydrophobicContact CH2-CB 3.7Å; W381-H405 AromaticContact CH2-CD2 3.85Å; W381-H405 AromaticContact CH2-CG 3.96Å; W381-H405 HydrophobicContact CZ2-CB 4.48Å; W381-H405 AromaticContact CZ2-CD2 3.97Å; W381-H405 HydrophobicContact CZ3-CB 3.67Å; W381-H405 AromaticContact CZ3-CD2 3.62Å; W381-H405 AromaticContact CZ3-CG 3.98Å; V390-H405 CarbonylContact C-O 3.56Å; V390-H405 WeakPolarHBondContact CA-O 3.11Å; V390-H405 WeakPolarHBondContact CB-O 3.29Å; K391-H405 PolarHBondContact N-O 3.07Å; F403-H405 PolarHBondContact O-CD2 3.01Å; F403-H405 PolarHBondContact O-N 3.03Å; H405-H407 PolarHBondContact O-N 3.47Å; H405-H407 VanDerWaalsContact O-N 3.08Å
406	E	94.6	Very high	91.4	Very high	174 Å²	174	64 Å²	64	81%	0.813	33%	0.325	S	S	*	.	S	Bend	trans	-73.9	96.8	168.8	-172.1	167.3	176.5	0	0	109.4
407	H	95.8	Very high	92.2	Very high	49 Å²	49	61.9 Å²	61.9	23%	0.227	31%	0.314	C	S	.	.	S	Bend	trans	-155.5	148.5	-177.1	-170.7	-83.1	0	0	0	109.8	W381 V390 H405	W381-H407 HydrophobicContact CH2-CB 4.15Å; W381-H407 HydrophobicContact CZ3-CB 3.86Å; W381-H407 AromaticContact CZ3-CG 3.97Å; V390-H407 WeakPolarHBondContact CB-O 3.39Å; V390-H407 HydrophobicContact CG1-CB 3.99Å; V390-H407 WeakPolarHBondContact CG1-O 3.41Å; H405-H407 PolarHBondContact O-N 3.47Å; H405-H407 VanDerWaalsContact O-N 3.08Å
408	P	94.3	Very high	93.1	Very high	96 Å²	96	62.4 Å²	62.4	62%	0.623	31%	0.314	S	S	*	.			trans	-54.1	140.7	170.1	-26.5	35	0	0	0	112.1	L410	P408-L410 PolarHBondContact O-N 3.24Å
409	H	93.6	Very high	94	Very high	87 Å²	87	58 Å²	58	40%	0.403	30%	0.299	S	S	.	.			trans	-69.5	126	177.3	-178.5	58.7	0	0	0	110.7	K386 L388 V390	K386-H409 PolarHBondContact O-CE1 3.34Å; K386-H409 PolarHBondContact O-NE2 2.9Å; L388-H409 PolarHBondContact O-CE1 3.5Å; L388-H409 PolarHBondContact O-ND1 3.34Å; L388-H409 VanDerWaalsContact O-ND1 3.16Å; V390-H409 HydrophobicContact CG2-CB 4.03Å
410	L	95.6	Very high	94.8	Very high	26 Å²	26	56.8 Å²	56.8	14%	0.136	29%	0.293	C	S	.	.			trans	-110.3	140.6	174.7	-60.5	179	0	0	0	109.5	G387 L388 P408 E415 V416 T419	G387-L410 WeakPolarHBondContact CA-O 3.38Å; L388-L410 HydrophobicContact CB-CB 4.17Å; L388-L410 HydrophobicContact CD2-CB 4.39Å; L388-L410 HydrophobicContact CD2-CD1 4.25Å; L388-L410 HydrophobicContact CD2-CG 4.34Å; L388-L410 PolarHBondContact N-O 2.93Å; P408-L410 PolarHBondContact O-N 3.24Å; L410-E415 HydrophobicContact CB-CB 4.27Å; L410-E415 HydrophobicContact CD1-CB 4.4Å; L410-E415 HydrophobicContact CD2-CB 4.39Å; L410-V416 HydrophobicContact CB-CG2 3.73Å; L410-V416 HydrophobicContact CD1-CB 4.45Å; L410-V416 HydrophobicContact CD1-CG2 3.93Å; L410-V416 HydrophobicContact CG-CG2 4.48Å; L410-T419 HydrophobicContact CD1-CG2 4.18Å
411	K	93.6	Very high	95.4	Very high	160 Å²	160	61.1 Å²	61.1	70%	0.696	31%	0.312	S	S	*	.			trans	-92.6	-36.6	-170.9	-71.5	-178.7	-178.8	177.2	0	112.3	G387 E415	G387-K411 WeakPolarHBondContact CA-O 3.31Å; K411-E415 PolarHBondContact N-OE2 3.41Å
412	T	95.8	Very high	95.9	Very high	61 Å²	61	58.7 Å²	58.7	37%	0.374	29%	0.292	S	S	.	.	S	Bend	trans	-110.5	153.1	-172.2	71.3	0	0	0	0	111.7	E414 E415 V416	T412-E414 PolarHBondContact O-N 2.97Å; T412-E415 PolarHBondContact N-OE2 3.33Å; T412-E415 PolarHBondContact O-N 3.23Å; T412-E415 WeakPolarHBondContact OG1-CB 3.32Å; T412-E415 VanDerWaalsContact OG1-CD 3.31Å; T412-E415 WeakPolarHBondContact OG1-CG 3.38Å; T412-E415 PolarHBondContact OG1-N 3.38Å; T412-V416 VanDerWaalsContact O-CG2 3.31Å; T412-V416 WeakPolarHBondContact O-CG2 3.43Å; T412-V416 PolarHBondContact O-N 3.22Å
413	L	97.5	Very high	96.3	Very high	21 Å²	21	56.9 Å²	56.9	11%	0.11	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-34.9	173.9	-178.2	63.4	0	0	0	111.4	V347 Q349 V383 V416 V417 I425 F435 I439	V347-L413 HydrophobicContact CG1-CD1 4.02Å; Q349-L413 HydrophobicContact CB-CD1 4.29Å; Q349-L413 HydrophobicContact CB-CD2 3.97Å; Q349-L413 HydrophobicContact CG-CD2 3.88Å; V383-L413 HydrophobicContact CB-CD1 4.48Å; V383-L413 HydrophobicContact CG2-CD1 4.03Å; L413-V416 PolarHBondContact O-N 3.06Å; L413-V417 HydrophobicContact CD1-CG2 4.29Å; L413-V417 HydrophobicContact CG-CG2 4.35Å; L413-V417 WeakPolarHBondContact O-CG2 3.32Å; L413-V417 PolarHBondContact O-N 3.01Å; L413-I425 HydrophobicContact CD1-CD1 4.43Å; L413-I425 HydrophobicContact CD2-CD1 4.34Å; L413-F435 HydrophobicContact CD2-CD1 4Å; L413-F435 HydrophobicContact CD2-CE1 4.04Å; L413-I439 HydrophobicContact CB-CD1 4.32Å; L413-I439 HydrophobicContact CD2-CD1 3.81Å; L413-I439 HydrophobicContact CG-CD1 3.88Å
414	E	97.6	Very high	96.6	Very high	66 Å²	66	56.9 Å²	56.9	31%	0.308	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-49.7	177.4	-60	-164.8	158.2	0	0	111.6	T412 V416 V417 E418 T436 I439	T412-E414 PolarHBondContact O-N 2.97Å; E414-V416 VanDerWaalsContact C-N 3.26Å; E414-V416 PolarHBondContact O-N 3.47Å; E414-V417 PolarHBondContact O-N 2.97Å; E414-E418 WeakPolarHBondContact O-CG 3.4Å; E414-E418 PolarHBondContact O-N 2.67Å; E414-T436 WeakPolarHBondContact OE1-CB 3.5Å; E414-T436 WeakPolarHBondContact OE1-CG2 3.44Å; E414-T436 PolarHBondContact OE1-OG1 3.45Å; E414-I439 HydrophobicContact CB-CG1 4.48Å; E414-I439 HydrophobicContact CG-CD1 3.77Å; E414-I439 HydrophobicContact CG-CG1 3.81Å
415	E	97.6	Very high	96.8	Very high	72 Å²	72	56.1 Å²	56.1	34%	0.336	28%	0.279	S	S	.	.	H	α-helix	trans	-56.6	-41.7	175.3	-75.1	163.7	-166.2	0	0	111.7	L410 K411 T412 T419	L410-E415 HydrophobicContact CB-CB 4.27Å; L410-E415 HydrophobicContact CD1-CB 4.4Å; L410-E415 HydrophobicContact CD2-CB 4.39Å; K411-E415 PolarHBondContact N-OE2 3.41Å; T412-E415 PolarHBondContact N-OE2 3.33Å; T412-E415 PolarHBondContact O-N 3.23Å; T412-E415 WeakPolarHBondContact OG1-CB 3.32Å; T412-E415 VanDerWaalsContact OG1-CD 3.31Å; T412-E415 WeakPolarHBondContact OG1-CG 3.38Å; T412-E415 PolarHBondContact OG1-N 3.38Å; E415-T419 VanDerWaalsContact O-CB 3.27Å; E415-T419 WeakPolarHBondContact O-CB 3.08Å; E415-T419 PolarHBondContact O-N 3.01Å; E415-T419 PolarHBondContact O-OG1 3.5Å
416	V	98	Very high	97	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-47	178.9	172.7	0	0	0	0	110.8	V347 V383 L388 L410 T412 L413 E414 T419 I420	V347-V416 HydrophobicContact CG1-CG1 4Å; V347-V416 HydrophobicContact CG2-CG1 4.2Å; V383-V416 HydrophobicContact CG2-CB 4.25Å; V383-V416 HydrophobicContact CG2-CG1 3.98Å; V383-V416 HydrophobicContact CG2-CG2 3.96Å; L388-V416 HydrophobicContact CB-CG2 3.88Å; L388-V416 HydrophobicContact CD1-CG1 3.88Å; L388-V416 HydrophobicContact CD1-CG2 3.91Å; L388-V416 HydrophobicContact CD2-CG2 4.31Å; L388-V416 HydrophobicContact CG-CG2 4.25Å; L410-V416 HydrophobicContact CB-CG2 3.73Å; L410-V416 HydrophobicContact CD1-CB 4.45Å; L410-V416 HydrophobicContact CD1-CG2 3.93Å; L410-V416 HydrophobicContact CG-CG2 4.48Å; T412-V416 VanDerWaalsContact O-CG2 3.31Å; T412-V416 WeakPolarHBondContact O-CG2 3.43Å; T412-V416 PolarHBondContact O-N 3.22Å; L413-V416 PolarHBondContact O-N 3.06Å; E414-V416 VanDerWaalsContact C-N 3.26Å; E414-V416 PolarHBondContact O-N 3.47Å; V416-T419 PolarHBondContact O-N 2.82Å; V416-I420 HydrophobicContact CG1-CG1 3.95Å; V416-I420 VanDerWaalsContact O-CB 3.25Å; V416-I420 WeakPolarHBondContact O-CB 3.31Å; V416-I420 VanDerWaalsContact O-CG1 3.28Å; V416-I420 WeakPolarHBondContact O-CG1 3.28Å; V416-I420 PolarHBondContact O-N 3.31Å
417	V	98.4	Very high	97.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-43.6	-179.9	169.4	0	0	0	0	111	L413 E414 T419 K421 P422 I425 I439 D442 M443 F446	L413-V417 HydrophobicContact CD1-CG2 4.29Å; L413-V417 HydrophobicContact CG-CG2 4.35Å; L413-V417 WeakPolarHBondContact O-CG2 3.32Å; L413-V417 PolarHBondContact O-N 3.01Å; E414-V417 PolarHBondContact O-N 2.97Å; V417-T419 VanDerWaalsContact C-N 3.34Å; V417-T419 PolarHBondContact O-N 3.07Å; V417-K421 VanDerWaalsContact O-CA 3.32Å; V417-K421 WeakPolarHBondContact O-CA 3.44Å; V417-K421 PolarHBondContact O-N 2.87Å; V417-P422 WeakPolarHBondContact O-CD 3.38Å; V417-I425 HydrophobicContact CG2-CD1 3.77Å; V417-I439 HydrophobicContact CG1-CG2 4.42Å; V417-I439 HydrophobicContact CG2-CG2 4.21Å; V417-D442 HydrophobicContact CG1-CB 4.24Å; V417-M443 HydrophobicContact CG1-CG 4.38Å; V417-M443 HydrophobicContact CG1-SD 4.12Å; V417-F446 HydrophobicContact CG1-CE2 4.04Å; V417-F446 WeakPolarHBondContact O-CE2 3.37Å
418	E	97.9	Very high	97.2	Very high	86 Å²	86	45.4 Å²	45.4	40%	0.402	23%	0.231	S	C	.	.	H	α-helix	trans	-62.8	-39	176.9	-72.9	-176.9	146.9	0	0	113.2	E414 K421 K438	E414-E418 WeakPolarHBondContact O-CG 3.4Å; E414-E418 PolarHBondContact O-N 2.67Å; E418-K421 WeakPolarHBondContact O-CE 3.25Å; E418-K421 WeakPolarHBondContact O-CG 3.39Å; E418-K438 VanDerWaalsContact CD-NZ 3.26Å; E418-K438 WeakPolarHBondContact OE1-CE 3.32Å; E418-K438 IonicContact OE1-NZ 2.7Å; E418-K438 PolarHBondContact OE1-NZ 3.15Å
419	T	97.9	Very high	97.1	Very high	73 Å²	73	42.6 Å²	42.6	45%	0.448	22%	0.215	S	C	.	.	H	α-helix	trans	-80.5	-48.8	-175.2	-55.8	0	0	0	0	111.7	L410 E415 V416 V417	L410-T419 HydrophobicContact CD1-CG2 4.18Å; E415-T419 VanDerWaalsContact O-CB 3.27Å; E415-T419 WeakPolarHBondContact O-CB 3.08Å; E415-T419 PolarHBondContact O-N 3.01Å; E415-T419 PolarHBondContact O-OG1 3.5Å; V416-T419 PolarHBondContact O-N 2.82Å; V417-T419 VanDerWaalsContact C-N 3.34Å; V417-T419 PolarHBondContact O-N 3.07Å
420	I	98.1	Very high	97	Very high	28 Å²	28	40.3 Å²	40.3	14%	0.144	21%	0.212	C	C	.	.	H	α-helix	trans	-79.2	-28.5	-175.4	-57.7	-55.2	0	0	0	111.5	T345 V347 W381 V416	T345-I420 HydrophobicContact CG2-CG2 3.82Å; V347-I420 HydrophobicContact CG2-CB 4.25Å; V347-I420 HydrophobicContact CG2-CG2 3.87Å; W381-I420 HydrophobicContact CD2-CD1 3.86Å; W381-I420 HydrophobicContact CD2-CG1 4.22Å; W381-I420 HydrophobicContact CD2-CG2 4.25Å; W381-I420 HydrophobicContact CE3-CD1 3.82Å; W381-I420 HydrophobicContact CE3-CG1 4.37Å; W381-I420 HydrophobicContact CG-CG1 4.48Å; W381-I420 HydrophobicContact CG-CG2 3.99Å; W381-I420 HydrophobicContact CH2-CD1 3.93Å; W381-I420 HydrophobicContact CZ2-CD1 3.98Å; W381-I420 HydrophobicContact CZ3-CD1 3.85Å; V416-I420 HydrophobicContact CG1-CG1 3.95Å; V416-I420 VanDerWaalsContact O-CB 3.25Å; V416-I420 WeakPolarHBondContact O-CB 3.31Å; V416-I420 VanDerWaalsContact O-CG1 3.28Å; V416-I420 WeakPolarHBondContact O-CG1 3.28Å; V416-I420 PolarHBondContact O-N 3.31Å
421	K	98.4	Very high	96.9	Very high	126 Å²	126	43.5 Å²	43.5	55%	0.548	23%	0.228	S	C	.	.			trans	49.5	57.2	-176.7	-58.2	-178.7	179.2	176.7	0	112.2	V417 E418 F446	V417-K421 VanDerWaalsContact O-CA 3.32Å; V417-K421 WeakPolarHBondContact O-CA 3.44Å; V417-K421 PolarHBondContact O-N 2.87Å; E418-K421 WeakPolarHBondContact O-CE 3.25Å; E418-K421 WeakPolarHBondContact O-CG 3.39Å; K421-F446 HydrophobicContact CB-CD2 3.92Å; K421-F446 HydrophobicContact CB-CE2 4.31Å; K421-F446 HydrophobicContact CB-CG 4.13Å; K421-F446 HydrophobicContact CD-CD1 4.4Å; K421-F446 HydrophobicContact CG-CD1 4.35Å; K421-F446 HydrophobicContact CG-CD2 4.07Å; K421-F446 HydrophobicContact CG-CE1 4.34Å; K421-F446 HydrophobicContact CG-CE2 4.04Å; K421-F446 HydrophobicContact CG-CG 4.24Å; K421-F446 HydrophobicContact CG-CZ 4.19Å
422	P	98.4	Very high	96.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.214	C	C	.	.			trans	-65.9	156.2	-175.4	30.5	-36.1	0	0	0	111.7	T345 V347 V417 M443 N447	T345-P422 WeakPolarHBondContact O-CB 3.33Å; V347-P422 HydrophobicContact CB-CB 3.96Å; V347-P422 HydrophobicContact CB-CG 3.9Å; V347-P422 HydrophobicContact CG2-CB 3.6Å; V347-P422 HydrophobicContact CG2-CG 3.65Å; V417-P422 WeakPolarHBondContact O-CD 3.38Å; P422-M443 HydrophobicContact CG-CE 4.35Å; P422-M443 HydrophobicContact CG-SD 3.71Å; P422-M443 WeakPolarHBondContact O-CE 3.27Å; P422-N447 PolarHBondContact O-ND2 3.41Å
423	T	98.6	Very high	97	Very high	26 Å²	26	36.9 Å²	36.9	16%	0.16	22%	0.217	C	C	.	.	S	Bend	trans	-87.2	-26.2	171.1	60	0	0	0	0	111.8	H344 T345 N447 I451	H344-T423 WeakPolarHBondContact CA-OG1 3.33Å; H344-T423 WeakPolarHBondContact CB-OG1 3.31Å; H344-T423 WeakPolarHBondContact ND1-CB 3.39Å; H344-T423 PolarHBondContact ND1-OG1 3.31Å; T345-T423 PolarHBondContact N-OG1 3.45Å; T345-T423 PolarHBondContact O-N 3.46Å; T345-T423 PolarHBondContact O-OG1 3.01Å; T423-N447 WeakPolarHBondContact CA-OD1 3.34Å; T423-N447 WeakPolarHBondContact CG2-OD1 3.38Å; T423-I451 PolarHBondContact O-N 3.48Å; T423-I451 VanDerWaalsContact O-N 3.09Å
424	A	98.7	Very high	97	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.1	178.9	0	0	0	0	0	111.1	T345 F346 V347 I451	T345-A424 PolarHBondContact O-N 3.17Å; F346-A424 WeakPolarHBondContact CA-O 3.36Å; F346-A424 HydrophobicContact CD1-CB 3.56Å; F346-A424 HydrophobicContact CE1-CB 3.79Å; F346-A424 HydrophobicContact CG-CB 4.42Å; V347-A424 PolarHBondContact N-O 3.01Å; A424-I451 WeakPolarHBondContact CA-O 3.43Å; A424-I451 HydrophobicContact CB-CB 3.8Å; A424-I451 HydrophobicContact CB-CD1 4.35Å; A424-I451 HydrophobicContact CB-CG2 4.12Å
425	I	98.8	Very high	97	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.6	171.5	-164.5	177.1	0	0	0	109.8	V347 L413 V417 F435 I439 M443 I451 I452 F453	V347-I425 HydrophobicContact CG1-CG1 4.46Å; V347-I425 WeakPolarHBondContact O-CA 3.49Å; L413-I425 HydrophobicContact CD1-CD1 4.43Å; L413-I425 HydrophobicContact CD2-CD1 4.34Å; V417-I425 HydrophobicContact CG2-CD1 3.77Å; I425-F435 HydrophobicContact CB-CZ 4.36Å; I425-F435 HydrophobicContact CD1-CD1 3.81Å; I425-F435 HydrophobicContact CD1-CE1 3.49Å; I425-F435 VanDerWaalsContact CD1-CE1 3.49Å; I425-F435 HydrophobicContact CD1-CZ 3.93Å; I425-F435 HydrophobicContact CG1-CD1 4.47Å; I425-F435 HydrophobicContact CG1-CE1 3.71Å; I425-F435 HydrophobicContact CG1-CE2 4.43Å; I425-F435 HydrophobicContact CG1-CZ 3.67Å; I425-F435 HydrophobicContact CG2-CD2 4.4Å; I425-F435 HydrophobicContact CG2-CE2 3.96Å; I425-F435 HydrophobicContact CG2-CZ 4.07Å; I425-I439 HydrophobicContact CD1-CG2 3.73Å; I425-M443 HydrophobicContact CB-CE 4.1Å; I425-M443 HydrophobicContact CB-SD 4.24Å; I425-M443 HydrophobicContact CG2-CE 4.04Å; I425-M443 HydrophobicContact CG2-CG 4.23Å; I425-M443 HydrophobicContact CG2-SD 4.32Å; I425-I451 PolarHBondContact N-O 2.92Å; I425-I452 HydrophobicContact CG2-CB 4.26Å; I425-I452 HydrophobicContact CG2-CG1 4.04Å; I425-I452 HydrophobicContact CG2-CG2 4.1Å; I425-F453 PolarHBondContact O-N 3.16Å
426	I	98.8	Very high	97.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.7	-173.6	-54	174.4	0	0	0	109.4	F346 V347 F348 Q349 I358 V428 F453 L455	F346-I426 HydrophobicContact CD1-CD1 4.08Å; V347-I426 PolarHBondContact O-N 3.16Å; F348-I426 CarbonylContact C-O 3.59Å; F348-I426 VanDerWaalsContact CA-O 3.3Å; F348-I426 WeakPolarHBondContact CA-O 3.41Å; F348-I426 HydrophobicContact CD1-CB 3.84Å; F348-I426 HydrophobicContact CD1-CD1 4.4Å; F348-I426 HydrophobicContact CD1-CG2 3.97Å; F348-I426 HydrophobicContact CE1-CB 3.89Å; F348-I426 HydrophobicContact CE1-CD1 3.65Å; F348-I426 HydrophobicContact CE1-CG1 4.34Å; F348-I426 HydrophobicContact CE1-CG2 3.84Å; F348-I426 HydrophobicContact CE2-CD1 4.24Å; F348-I426 HydrophobicContact CG-CB 4.46Å; F348-I426 HydrophobicContact CZ-CD1 3.57Å; Q349-I426 PolarHBondContact N-O 3.44Å; I358-I426 HydrophobicContact CD1-CG2 4.31Å; I358-I426 HydrophobicContact CG2-CD1 4.42Å; I426-V428 HydrophobicContact CG2-CG1 4.39Å; I426-F453 HydrophobicContact CB-CB 4.43Å; I426-F453 HydrophobicContact CG1-CB 4.26Å; I426-F453 HydrophobicContact CG2-CB 4.18Å; I426-L455 HydrophobicContact CG2-CD1 3.84Å; I426-L455 HydrophobicContact CG2-CG 4.45Å
427	G	97.9	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.9	-177.8	0	0	0	0	0	111.7	F453 L455 E463	G427-F453 PolarHBondContact N-O 2.89Å; G427-L455 WeakPolarHBondContact O-CA 3.13Å; G427-L455 VanDerWaalsContact O-CB 3.29Å; G427-L455 WeakPolarHBondContact O-CB 3.21Å; G427-L455 PolarHBondContact O-N 3.16Å; G427-E463 VanDerWaalsContact C-CD 3.44Å; G427-E463 VanDerWaalsContact CA-CD 3.41Å; G427-E463 VanDerWaalsContact CA-OE1 3.29Å; G427-E463 WeakPolarHBondContact CA-OE1 3.36Å
428	V	95.1	Very high	97.1	Very high	25 Å²	25	41.2 Å²	41.2	15%	0.152	24%	0.242	C	C	.	.			trans	-144.9	25.6	-178.9	-70.1	0	0	0	0	111.6	Q349 A354 A355 I358 I426 L455 E463	Q349-V428 PolarHBondContact O-N 3.05Å; A354-V428 HydrophobicContact CB-CB 4.01Å; A354-V428 HydrophobicContact CB-CG1 3.93Å; A354-V428 HydrophobicContact CB-CG2 4.46Å; A355-V428 HydrophobicContact CB-CG2 3.7Å; I358-V428 HydrophobicContact CD1-CG1 4.11Å; I426-V428 HydrophobicContact CG2-CG1 4.39Å; V428-L455 HydrophobicContact CG1-CB 3.93Å; V428-L455 HydrophobicContact CG1-CD1 4.16Å; V428-E463 PolarHBondContact N-OE1 3.47Å; V428-E463 VanDerWaalsContact N-OE1 3.17Å
429	A	92.4	Very high	97.1	Very high	36 Å²	36	37.2 Å²	37.2	30%	0.298	22%	0.223	S	C	.	.	S	Bend	trans	-99.9	-4.4	-172.3	0	0	0	0	0	114.5	Q349 I431 S456 E463	Q349-A429 HydrophobicContact CG-CB 4.1Å; Q349-A429 WeakPolarHBondContact O-CB 3.28Å; Q349-A429 PolarHBondContact O-N 3.02Å; A429-I431 VanDerWaalsContact C-N 3.28Å; A429-I431 HydrophobicContact CB-CD1 3.95Å; A429-I431 HydrophobicContact CB-CG1 3.91Å; A429-I431 PolarHBondContact O-N 3.01Å; A429-S456 PolarHBondContact N-OG 2.85Å; A429-E463 PolarHBondContact N-OE1 3.03Å
430	A	91.6	Very high	97.2	Very high	40 Å²	40	33.8 Å²	33.8	33%	0.331	20%	0.202	S	C	.	.			trans	55.8	38.4	-170.3	0	0	0	0	0	113.7	S456 K461	A430-S456 VanDerWaalsContact CA-OG 3.31Å; A430-S456 WeakPolarHBondContact CA-OG 3.26Å; A430-S456 PolarHBondContact N-OG 3.28Å; A430-K461 HydrophobicContact CB-CB 4.31Å
431	I	93.1	Very high	97.2	Very high	92 Å²	92	37.1 Å²	37.1	47%	0.472	22%	0.216	S	C	.	.			trans	-112	97.5	177.9	-53.3	178.5	0	0	0	108.5	A429 G433 A434	A429-I431 VanDerWaalsContact C-N 3.28Å; A429-I431 HydrophobicContact CB-CD1 3.95Å; A429-I431 HydrophobicContact CB-CG1 3.91Å; A429-I431 PolarHBondContact O-N 3.01Å; I431-G433 PolarHBondContact O-N 2.89Å; I431-A434 HydrophobicContact CB-CB 4.09Å; I431-A434 HydrophobicContact CG2-CB 3.91Å; I431-A434 VanDerWaalsContact O-CB 3.27Å; I431-A434 WeakPolarHBondContact O-CB 3.38Å; I431-A434 PolarHBondContact O-N 3.38Å
432	G	95.6	Very high	97.2	Very high	39 Å²	39	32.5 Å²	32.5	40%	0.402	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	133.1	-179.5	0	0	0	0	0	112.3	A434 A462	G432-A434 VanDerWaalsContact C-N 3.28Å; G432-A434 PolarHBondContact O-N 3.36Å; G432-A462 WeakPolarHBondContact CA-O 3.39Å
433	G	96.6	Very high	97.2	Very high	43 Å²	43	32.5 Å²	32.5	44%	0.443	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	13.9	178.1	0	0	0	0	0	115.2	I431 F435 A462 E463	I431-G433 PolarHBondContact O-N 2.89Å; G433-F435 VanDerWaalsContact C-N 3.31Å; G433-F435 PolarHBondContact O-N 3.35Å; G433-A462 PolarHBondContact N-O 3.25Å; G433-E463 CarbonylContact C-O 3.53Å; G433-E463 WeakPolarHBondContact CA-O 3.47Å; G433-E463 PolarHBondContact N-O 2.7Å
434	A	97.4	Very high	97.2	Very high	17 Å²	17	31.6 Å²	31.6	14%	0.14	19%	0.192	C	C	.	.			trans	-70	-23.6	-178.8	0	0	0	0	0	114.9	Q349 I431 G432 T436 I439 E463	Q349-A434 VanDerWaalsContact CD-CB 3.4Å; I431-A434 HydrophobicContact CB-CB 4.09Å; I431-A434 HydrophobicContact CG2-CB 3.91Å; I431-A434 VanDerWaalsContact O-CB 3.27Å; I431-A434 WeakPolarHBondContact O-CB 3.38Å; I431-A434 PolarHBondContact O-N 3.38Å; G432-A434 VanDerWaalsContact C-N 3.28Å; G432-A434 PolarHBondContact O-N 3.36Å; A434-T436 VanDerWaalsContact C-N 3.3Å; A434-T436 PolarHBondContact O-N 3.3Å; A434-T436 VanDerWaalsContact O-N 3.12Å; A434-I439 WeakPolarHBondContact O-CD1 3.35Å; A434-E463 HydrophobicContact CB-CG 4.37Å; A434-E463 PolarHBondContact N-O 3.19Å
435	F	98.5	Very high	97.2	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.013	22%	0.219	C	C	.	.	S	Bend	trans	-84	84.3	167.7	-65	-7.3	0	0	0	107.8	Q349 L413 I425 G433 I440 I452 F453 E463 C464	Q349-F435 HydrophobicContact CB-CE1 4.12Å; Q349-F435 VanDerWaalsContact OE1-CE1 3.23Å; L413-F435 HydrophobicContact CD2-CD1 4Å; L413-F435 HydrophobicContact CD2-CE1 4.04Å; I425-F435 HydrophobicContact CB-CZ 4.36Å; I425-F435 HydrophobicContact CD1-CD1 3.81Å; I425-F435 HydrophobicContact CD1-CE1 3.49Å; I425-F435 VanDerWaalsContact CD1-CE1 3.49Å; I425-F435 HydrophobicContact CD1-CZ 3.93Å; I425-F435 HydrophobicContact CG1-CD1 4.47Å; I425-F435 HydrophobicContact CG1-CE1 3.71Å; I425-F435 HydrophobicContact CG1-CE2 4.43Å; I425-F435 HydrophobicContact CG1-CZ 3.67Å; I425-F435 HydrophobicContact CG2-CD2 4.4Å; I425-F435 HydrophobicContact CG2-CE2 3.96Å; I425-F435 HydrophobicContact CG2-CZ 4.07Å; G433-F435 VanDerWaalsContact C-N 3.31Å; G433-F435 PolarHBondContact O-N 3.35Å; F435-I440 HydrophobicContact CB-CD1 4.39Å; F435-I440 HydrophobicContact CB-CG1 4.23Å; F435-I440 WeakPolarHBondContact O-CD1 3.41Å; F435-I452 HydrophobicContact CD2-CG2 3.7Å; F435-I452 HydrophobicContact CE2-CG2 3.93Å; F435-F453 WeakPolarHBondContact CE2-O 3.42Å; F435-E463 HydrophobicContact CB-CB 4.21Å; F435-E463 HydrophobicContact CD1-CB 3.78Å; F435-E463 HydrophobicContact CD1-CG 4.24Å; F435-E463 HydrophobicContact CD2-CB 3.57Å; F435-E463 HydrophobicContact CE1-CB 3.95Å; F435-E463 HydrophobicContact CE1-CG 4Å; F435-E463 HydrophobicContact CE2-CB 3.77Å; F435-E463 HydrophobicContact CE2-CG 4.34Å; F435-E463 HydrophobicContact CG-CB 3.59Å; F435-E463 HydrophobicContact CZ-CB 3.96Å; F435-E463 HydrophobicContact CZ-CG 4.07Å; F435-E463 PolarHBondContact N-O 3.33Å; F435-C464 HydrophobicContact CB-CB 3.92Å
436	T	98.4	Very high	97.2	Very high	46 Å²	46	38.7 Å²	38.7	28%	0.282	23%	0.233	S	C	.	.			trans	-62.4	162.2	-178.7	67.1	0	0	0	0	111.2	E414 A434 K438 I439 I440	E414-T436 WeakPolarHBondContact OE1-CB 3.5Å; E414-T436 WeakPolarHBondContact OE1-CG2 3.44Å; E414-T436 PolarHBondContact OE1-OG1 3.45Å; A434-T436 VanDerWaalsContact C-N 3.3Å; A434-T436 PolarHBondContact O-N 3.3Å; A434-T436 VanDerWaalsContact O-N 3.12Å; T436-K438 PolarHBondContact O-N 3.25Å; T436-K438 VanDerWaalsContact O-N 3.16Å; T436-I439 PolarHBondContact O-N 3.34Å; T436-I439 VanDerWaalsContact O-N 3.09Å; T436-I439 PolarHBondContact OG1-N 2.87Å; T436-I440 WeakPolarHBondContact O-CG1 3.31Å; T436-I440 PolarHBondContact O-N 2.84Å
437	E	98.4	Very high	97.2	Very high	109 Å²	109	40 Å²	40	51%	0.509	24%	0.24	S	C	.	.	H	α-helix	trans	-52.6	-38.7	174.3	172.8	172.4	161.7	0	0	111.8	I440 K441 L472	E437-I440 PolarHBondContact O-N 3.47Å; E437-K441 HydrophobicContact CG-CD 4.02Å; E437-K441 WeakPolarHBondContact O-CB 3.47Å; E437-K441 WeakPolarHBondContact O-CG 3.33Å; E437-K441 PolarHBondContact O-N 2.58Å; E437-K441 WeakPolarHBondContact OE1-CE 3.3Å; E437-K441 IonicContact OE1-NZ 3.59Å; E437-K441 PolarHBondContact OE1-NZ 2.7Å; E437-L472 HydrophobicContact CB-CD1 3.98Å; E437-L472 HydrophobicContact CG-CD1 3.85Å; E437-L472 HydrophobicContact CG-CD2 3.77Å; E437-L472 HydrophobicContact CG-CG 4.45Å
438	K	98.4	Very high	97.1	Very high	76 Å²	76	48.7 Å²	48.7	33%	0.33	27%	0.274	S	S	.	.	H	α-helix	trans	-61.9	-51.9	176.7	-172.3	-176.4	175.5	-61	0	111.4	E418 T436 I440 K441 D442	E418-K438 VanDerWaalsContact CD-NZ 3.26Å; E418-K438 WeakPolarHBondContact OE1-CE 3.32Å; E418-K438 IonicContact OE1-NZ 2.7Å; E418-K438 PolarHBondContact OE1-NZ 3.15Å; T436-K438 PolarHBondContact O-N 3.25Å; T436-K438 VanDerWaalsContact O-N 3.16Å; K438-I440 VanDerWaalsContact C-N 3.32Å; K438-I440 PolarHBondContact O-N 3.29Å; K438-K441 PolarHBondContact O-N 2.95Å; K438-D442 IonicContact NZ-OD2 3.23Å; K438-D442 PolarHBondContact NZ-OD2 3.1Å; K438-D442 WeakPolarHBondContact O-CB 3.45Å; K438-D442 PolarHBondContact O-N 2.86Å
439	I	98.7	Very high	97.3	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-56.6	-45.8	177.9	-71.9	169.8	0	0	0	111.4	L413 E414 V417 I425 A434 T436 K441 D442 M443	L413-I439 HydrophobicContact CB-CD1 4.32Å; L413-I439 HydrophobicContact CD2-CD1 3.81Å; L413-I439 HydrophobicContact CG-CD1 3.88Å; E414-I439 HydrophobicContact CB-CG1 4.48Å; E414-I439 HydrophobicContact CG-CD1 3.77Å; E414-I439 HydrophobicContact CG-CG1 3.81Å; V417-I439 HydrophobicContact CG1-CG2 4.42Å; V417-I439 HydrophobicContact CG2-CG2 4.21Å; I425-I439 HydrophobicContact CD1-CG2 3.73Å; A434-I439 WeakPolarHBondContact O-CD1 3.35Å; T436-I439 PolarHBondContact O-N 3.34Å; T436-I439 VanDerWaalsContact O-N 3.09Å; T436-I439 PolarHBondContact OG1-N 2.87Å; I439-K441 PolarHBondContact O-N 3.45Å; I439-D442 PolarHBondContact O-N 3.48Å; I439-M443 HydrophobicContact CG2-CG 4.39Å; I439-M443 WeakPolarHBondContact O-CB 3.44Å; I439-M443 VanDerWaalsContact O-CG 3.28Å; I439-M443 WeakPolarHBondContact O-CG 3.08Å; I439-M443 PolarHBondContact O-N 3.48Å
440	I	98.8	Very high	97.6	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-41.4	-177.5	-62.9	168.9	0	0	0	110.9	F435 T436 E437 K438 A444 I452 C464 Q468 L472 T473	F435-I440 HydrophobicContact CB-CD1 4.39Å; F435-I440 HydrophobicContact CB-CG1 4.23Å; F435-I440 WeakPolarHBondContact O-CD1 3.41Å; T436-I440 WeakPolarHBondContact O-CG1 3.31Å; T436-I440 PolarHBondContact O-N 2.84Å; E437-I440 PolarHBondContact O-N 3.47Å; K438-I440 VanDerWaalsContact C-N 3.32Å; K438-I440 PolarHBondContact O-N 3.29Å; I440-A444 PolarHBondContact O-N 3.34Å; I440-A444 VanDerWaalsContact O-N 3.11Å; I440-I452 HydrophobicContact CG2-CD1 4.01Å; I440-C464 HydrophobicContact CD1-CB 3.84Å; I440-Q468 HydrophobicContact CD1-CB 4.32Å; I440-L472 HydrophobicContact CB-CB 4.32Å; I440-L472 HydrophobicContact CB-CD1 4.15Å; I440-L472 HydrophobicContact CD1-CD1 3.93Å; I440-L472 HydrophobicContact CG2-CB 3.65Å; I440-L472 HydrophobicContact CG2-CD1 4.22Å; I440-T473 HydrophobicContact CG2-CG2 3.51Å
441	K	98.7	Very high	97.9	Very high	98 Å²	98	46.8 Å²	46.8	43%	0.426	25%	0.248	S	C	.	.	H	α-helix	trans	-65.3	-42.1	174.5	-77.1	177.2	168.8	174.1	0	112.1	E437 K438 I439 A444 S445	E437-K441 HydrophobicContact CG-CD 4.02Å; E437-K441 WeakPolarHBondContact O-CB 3.47Å; E437-K441 WeakPolarHBondContact O-CG 3.33Å; E437-K441 PolarHBondContact O-N 2.58Å; E437-K441 WeakPolarHBondContact OE1-CE 3.3Å; E437-K441 IonicContact OE1-NZ 3.59Å; E437-K441 PolarHBondContact OE1-NZ 2.7Å; K438-K441 PolarHBondContact O-N 2.95Å; I439-K441 PolarHBondContact O-N 3.45Å; K441-A444 CarbonylContact O-C 3.56Å; K441-A444 PolarHBondContact O-N 3.01Å; K441-S445 PolarHBondContact O-N 3.46Å
442	D	98.6	Very high	98.2	Very high	29 Å²	29	42.4 Å²	42.4	16%	0.155	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-49.3	176.9	-71.2	-16.1	0	0	0	110.2	V417 K438 I439 A444 S445 F446	V417-D442 HydrophobicContact CG1-CB 4.24Å; K438-D442 IonicContact NZ-OD2 3.23Å; K438-D442 PolarHBondContact NZ-OD2 3.1Å; K438-D442 WeakPolarHBondContact O-CB 3.45Å; K438-D442 PolarHBondContact O-N 2.86Å; I439-D442 PolarHBondContact O-N 3.48Å; D442-A444 VanDerWaalsContact C-N 3.28Å; D442-A444 PolarHBondContact O-N 3.28Å; D442-S445 WeakPolarHBondContact O-CA 3.31Å; D442-S445 WeakPolarHBondContact O-CB 3.46Å; D442-S445 PolarHBondContact O-N 3.24Å; D442-S445 PolarHBondContact O-OG 3.49Å; D442-F446 HydrophobicContact CB-CE2 3.81Å; D442-F446 HydrophobicContact CB-CZ 3.75Å; D442-F446 WeakPolarHBondContact O-CD1 3.48Å; D442-F446 VanDerWaalsContact O-CD2 3.23Å; D442-F446 WeakPolarHBondContact O-CD2 3.3Å; D442-F446 WeakPolarHBondContact O-CG 3.36Å; D442-F446 PolarHBondContact O-N 3.16Å
443	M	98.7	Very high	98.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-53.5	-43.6	174	-73.6	-61.7	-65.6	0	0	112.4	V417 P422 I425 I439 S445 F446 N447 P450 I452	V417-M443 HydrophobicContact CG1-CG 4.38Å; V417-M443 HydrophobicContact CG1-SD 4.12Å; P422-M443 HydrophobicContact CG-CE 4.35Å; P422-M443 HydrophobicContact CG-SD 3.71Å; P422-M443 WeakPolarHBondContact O-CE 3.27Å; I425-M443 HydrophobicContact CB-CE 4.1Å; I425-M443 HydrophobicContact CB-SD 4.24Å; I425-M443 HydrophobicContact CG2-CE 4.04Å; I425-M443 HydrophobicContact CG2-CG 4.23Å; I425-M443 HydrophobicContact CG2-SD 4.32Å; I439-M443 HydrophobicContact CG2-CG 4.39Å; I439-M443 WeakPolarHBondContact O-CB 3.44Å; I439-M443 VanDerWaalsContact O-CG 3.28Å; I439-M443 WeakPolarHBondContact O-CG 3.08Å; I439-M443 PolarHBondContact O-N 3.48Å; M443-S445 VanDerWaalsContact C-N 3.33Å; M443-F446 PolarHBondContact O-N 3.26Å; M443-N447 WeakPolarHBondContact O-CB 3.36Å; M443-N447 PolarHBondContact O-N 2.88Å; M443-N447 VanDerWaalsContact O-N 3.11Å; M443-N447 PolarHBondContact O-ND2 2.91Å; M443-P450 HydrophobicContact CB-CB 3.89Å; M443-P450 HydrophobicContact CE-CB 4.2Å; M443-I452 HydrophobicContact CB-CD1 4.41Å
444	A	98.6	Very high	98.4	Very high	6 Å²	6	38.5 Å²	38.5	5%	0.05	19%	0.185	C	C	.	.	H	α-helix	trans	-73.7	-20.3	178.1	0	0	0	0	0	114.4	I440 K441 D442 N447 P450 T473 R476	I440-A444 PolarHBondContact O-N 3.34Å; I440-A444 VanDerWaalsContact O-N 3.11Å; K441-A444 CarbonylContact O-C 3.56Å; K441-A444 PolarHBondContact O-N 3.01Å; D442-A444 VanDerWaalsContact C-N 3.28Å; D442-A444 PolarHBondContact O-N 3.28Å; A444-N447 VanDerWaalsContact O-O 3.05Å; A444-P450 HydrophobicContact CB-CG 4.24Å; A444-T473 HydrophobicContact CB-CG2 3.87Å; A444-R476 PolarHBondContact O-NH1 2.67Å; A444-R476 PolarHBondContact O-NH2 3.23Å
445	S	98.5	Very high	98.3	Very high	83 Å²	83	38.4 Å²	38.4	58%	0.58	18%	0.182	S	C	*	.	H	α-helix	trans	-80.5	-33.7	173.7	80.9	0	0	0	0	112	K441 D442 M443	K441-S445 PolarHBondContact O-N 3.46Å; D442-S445 WeakPolarHBondContact O-CA 3.31Å; D442-S445 WeakPolarHBondContact O-CB 3.46Å; D442-S445 PolarHBondContact O-N 3.24Å; D442-S445 PolarHBondContact O-OG 3.49Å; M443-S445 VanDerWaalsContact C-N 3.33Å
446	F	98.1	Very high	97.9	Very high	68 Å²	68	38.5 Å²	38.5	30%	0.298	18%	0.184	S	C	.	.	H	α-helix	trans	-81.3	-31	179.9	-50.8	-28.4	0	0	0	112.3	V417 K421 D442 M443	V417-F446 HydrophobicContact CG1-CE2 4.04Å; V417-F446 WeakPolarHBondContact O-CE2 3.37Å; K421-F446 HydrophobicContact CB-CD2 3.92Å; K421-F446 HydrophobicContact CB-CE2 4.31Å; K421-F446 HydrophobicContact CB-CG 4.13Å; K421-F446 HydrophobicContact CD-CD1 4.4Å; K421-F446 HydrophobicContact CG-CD1 4.35Å; K421-F446 HydrophobicContact CG-CD2 4.07Å; K421-F446 HydrophobicContact CG-CE1 4.34Å; K421-F446 HydrophobicContact CG-CE2 4.04Å; K421-F446 HydrophobicContact CG-CG 4.24Å; K421-F446 HydrophobicContact CG-CZ 4.19Å; D442-F446 HydrophobicContact CB-CE2 3.81Å; D442-F446 HydrophobicContact CB-CZ 3.75Å; D442-F446 WeakPolarHBondContact O-CD1 3.48Å; D442-F446 VanDerWaalsContact O-CD2 3.23Å; D442-F446 WeakPolarHBondContact O-CD2 3.3Å; D442-F446 WeakPolarHBondContact O-CG 3.36Å; D442-F446 PolarHBondContact O-N 3.16Å; M443-F446 PolarHBondContact O-N 3.26Å
447	N	98.2	Very high	97.3	Very high	28 Å²	28	37.8 Å²	37.8	15%	0.15	18%	0.178	C	C	.	.			trans	-127.1	140.3	-170.6	-52.8	-77	0	0	0	111.3	P422 T423 M443 A444 P450 R476	P422-N447 PolarHBondContact O-ND2 3.41Å; T423-N447 WeakPolarHBondContact CA-OD1 3.34Å; T423-N447 WeakPolarHBondContact CG2-OD1 3.38Å; M443-N447 WeakPolarHBondContact O-CB 3.36Å; M443-N447 PolarHBondContact O-N 2.88Å; M443-N447 VanDerWaalsContact O-N 3.11Å; M443-N447 PolarHBondContact O-ND2 2.91Å; A444-N447 VanDerWaalsContact O-O 3.05Å; N447-P450 HydrophobicContact CB-CB 4.07Å; N447-R476 PolarHBondContact O-NH1 2.91Å; N447-R476 VanDerWaalsContact O-NH1 3.08Å
448	Y	97.4	Very high	96.6	Very high	182 Å²	182	34.3 Å²	34.3	71%	0.714	17%	0.165	S	C	*	.	S	Bend	trans	-66.1	-41.3	173.1	-177.6	-113.3	0	0	0	111.7	R476	Y448-R476 WeakPolarHBondContact O-CB 3.45Å; Y448-R476 PolarHBondContact O-NH1 2.91Å
449	R	97.9	Very high	96	Very high	60 Å²	60	33.5 Å²	33.5	23%	0.226	17%	0.166	C	C	.	.	S	Bend	trans	-127.6	77.6	177.6	-61.8	-69.2	-67.3	-178.7	6.4	110.1	T337 G475 R476 I478	T337-R449 HydrophobicContact CG2-CB 4.28Å; R449-G475 PolarHBondContact NH1-O 2.79Å; R449-R476 WeakPolarHBondContact CD-O 3.43Å; R449-R476 VanDerWaalsContact CZ-O 3.27Å; R449-R476 PolarHBondContact NE-O 2.94Å; R449-I478 HydrophobicContact CB-CD1 3.87Å; R449-I478 HydrophobicContact CB-CG1 4.29Å
450	P	98.5	Very high	95.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.			trans	-65.9	136.3	-177	27.1	-33.9	0	0	0	111.4	M443 A444 N447 I452 T473 G477 I478	M443-P450 HydrophobicContact CB-CB 3.89Å; M443-P450 HydrophobicContact CE-CB 4.2Å; A444-P450 HydrophobicContact CB-CG 4.24Å; N447-P450 HydrophobicContact CB-CB 4.07Å; P450-I452 HydrophobicContact CB-CD1 4.5Å; P450-I452 HydrophobicContact CB-CG1 4.41Å; P450-I452 HydrophobicContact CG-CD1 4.49Å; P450-T473 HydrophobicContact CG-CG2 4.16Å; P450-G477 WeakPolarHBondContact O-CA 3.43Å; P450-I478 PolarHBondContact O-N 3.05Å
451	I	98.8	Very high	94.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.1	174.4	-57.9	170.3	0	0	0	108.7	I330 A333 T337 T423 A424 I425 F453 I478	I330-I451 HydrophobicContact CD1-CG2 3.87Å; A333-I451 HydrophobicContact CB-CD1 3.81Å; A333-I451 HydrophobicContact CB-CG1 4.13Å; T337-I451 HydrophobicContact CG2-CD1 4.48Å; T423-I451 PolarHBondContact O-N 3.48Å; T423-I451 VanDerWaalsContact O-N 3.09Å; A424-I451 WeakPolarHBondContact CA-O 3.43Å; A424-I451 HydrophobicContact CB-CB 3.8Å; A424-I451 HydrophobicContact CB-CD1 4.35Å; A424-I451 HydrophobicContact CB-CG2 4.12Å; I425-I451 PolarHBondContact N-O 2.92Å; I451-F453 HydrophobicContact CG2-CD1 3.76Å; I451-F453 HydrophobicContact CG2-CE1 3.49Å; I451-F453 VanDerWaalsContact CG2-CE1 3.49Å; I451-F453 HydrophobicContact CG2-CG 4.47Å; I451-F453 HydrophobicContact CG2-CZ 4.03Å; I451-I478 HydrophobicContact CG1-CB 4.33Å; I451-I478 HydrophobicContact CG1-CD1 4.19Å
452	I	98.8	Very high	94.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	103.5	-175.1	-57.2	-179.9	0	0	0	109	I425 F435 I440 M443 P450 T473 I478 F479 A480	I425-I452 HydrophobicContact CG2-CB 4.26Å; I425-I452 HydrophobicContact CG2-CG1 4.04Å; I425-I452 HydrophobicContact CG2-CG2 4.1Å; F435-I452 HydrophobicContact CD2-CG2 3.7Å; F435-I452 HydrophobicContact CE2-CG2 3.93Å; I440-I452 HydrophobicContact CG2-CD1 4.01Å; M443-I452 HydrophobicContact CB-CD1 4.41Å; P450-I452 HydrophobicContact CB-CD1 4.5Å; P450-I452 HydrophobicContact CB-CG1 4.41Å; P450-I452 HydrophobicContact CG-CD1 4.49Å; I452-T473 HydrophobicContact CD1-CG2 4.09Å; I452-I478 PolarHBondContact N-O 3.41Å; I452-F479 HydrophobicContact CG2-CD2 4.31Å; I452-F479 WeakPolarHBondContact O-CA 3.44Å; I452-F479 WeakPolarHBondContact O-CD2 3.2Å; I452-A480 PolarHBondContact O-N 3.41Å
453	F	98.6	Very high	94.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	114.1	-178.6	-77.2	12.5	0	0	0	110.6	I330 I425 I426 G427 F435 I451 L455 A480 L548	I330-F453 HydrophobicContact CD1-CD2 4.19Å; I330-F453 HydrophobicContact CD1-CE2 3.55Å; I330-F453 HydrophobicContact CD1-CZ 3.76Å; I330-F453 HydrophobicContact CG1-CE2 3.91Å; I330-F453 HydrophobicContact CG1-CZ 4.38Å; I425-F453 PolarHBondContact O-N 3.16Å; I426-F453 HydrophobicContact CB-CB 4.43Å; I426-F453 HydrophobicContact CG1-CB 4.26Å; I426-F453 HydrophobicContact CG2-CB 4.18Å; G427-F453 PolarHBondContact N-O 2.89Å; F435-F453 WeakPolarHBondContact CE2-O 3.42Å; I451-F453 HydrophobicContact CG2-CD1 3.76Å; I451-F453 HydrophobicContact CG2-CE1 3.49Å; I451-F453 VanDerWaalsContact CG2-CE1 3.49Å; I451-F453 HydrophobicContact CG2-CG 4.47Å; I451-F453 HydrophobicContact CG2-CZ 4.03Å; F453-L455 HydrophobicContact CB-CD1 4.4Å; F453-L455 HydrophobicContact CB-CD2 4.06Å; F453-L455 HydrophobicContact CB-CG 4.01Å; F453-L455 HydrophobicContact CD2-CD1 4.41Å; F453-L455 HydrophobicContact CD2-CD2 4.44Å; F453-L455 HydrophobicContact CG-CD2 4.46Å; F453-A480 CarbonylContact C-O 3.6Å; F453-A480 WeakPolarHBondContact CA-O 3.45Å; F453-A480 HydrophobicContact CD1-CB 3.79Å; F453-A480 HydrophobicContact CE1-CB 3.78Å; F453-A480 HydrophobicContact CG-CB 4.31Å; F453-A480 HydrophobicContact CZ-CB 4.26Å; F453-L548 HydrophobicContact CE1-CD1 3.4Å; F453-L548 HydrophobicContact CZ-CD1 3.66Å
454	A	97.6	Very high	94.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	75.5	178	0	0	0	0	0	110.4	S456 E463 F479 A480 S481 G482	A454-S456 PolarHBondContact O-N 3.45Å; A454-E463 WeakPolarHBondContact CA-OE2 3.48Å; A454-E463 HydrophobicContact CB-CB 4.15Å; A454-F479 HydrophobicContact CB-CE2 3.94Å; A454-F479 HydrophobicContact CB-CZ 4.09Å; A454-A480 PolarHBondContact N-O 2.86Å; A454-S481 CarbonylContact O-C 3.55Å; A454-S481 WeakPolarHBondContact O-CA 3.22Å; A454-S481 WeakPolarHBondContact O-CB 3.42Å; A454-G482 PolarHBondContact O-N 3.02Å
455	L	95.9	Very high	94.6	Very high	15 Å²	15	38 Å²	38	8%	0.079	20%	0.201	C	C	.	.			trans	-86.5	-4.5	-165	-53.4	-178.3	0	0	0	114.2	A326 I358 I426 G427 V428 F453 N457 E463	A326-L455 HydrophobicContact CB-CD1 4.03Å; I358-L455 HydrophobicContact CD1-CD1 4.1Å; I426-L455 HydrophobicContact CG2-CD1 3.84Å; I426-L455 HydrophobicContact CG2-CG 4.45Å; G427-L455 WeakPolarHBondContact O-CA 3.13Å; G427-L455 VanDerWaalsContact O-CB 3.29Å; G427-L455 WeakPolarHBondContact O-CB 3.21Å; G427-L455 PolarHBondContact O-N 3.16Å; V428-L455 HydrophobicContact CG1-CB 3.93Å; V428-L455 HydrophobicContact CG1-CD1 4.16Å; F453-L455 HydrophobicContact CB-CD1 4.4Å; F453-L455 HydrophobicContact CB-CD2 4.06Å; F453-L455 HydrophobicContact CB-CG 4.01Å; F453-L455 HydrophobicContact CD2-CD1 4.41Å; F453-L455 HydrophobicContact CD2-CD2 4.44Å; F453-L455 HydrophobicContact CG-CD2 4.46Å; L455-N457 PolarHBondContact O-ND2 2.98Å; L455-E463 PolarHBondContact N-OE2 2.82Å
456	S	90.8	Very high	94.6	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.042	17%	0.174	C	C	.	.			trans	-66.9	141.9	178.7	-73.7	0	0	0	0	113.3	A429 A430 A454 K461 E463	A429-S456 PolarHBondContact N-OG 2.85Å; A430-S456 VanDerWaalsContact CA-OG 3.31Å; A430-S456 WeakPolarHBondContact CA-OG 3.26Å; A430-S456 PolarHBondContact N-OG 3.28Å; A454-S456 PolarHBondContact O-N 3.45Å; S456-K461 WeakPolarHBondContact CB-O 3.3Å; S456-E463 VanDerWaalsContact CB-OE1 3.27Å; S456-E463 WeakPolarHBondContact CB-OE1 3.37Å; S456-E463 PolarHBondContact N-OE2 2.77Å; S456-E463 PolarHBondContact OG-OE1 3.29Å
457	N	85.3	Confident	94.6	Very high	30 Å²	30	35.5 Å²	35.5	16%	0.16	18%	0.181	C	C	.	.	S	Bend	trans	-119.9	152.2	179.1	-68.4	-63.9	0	0	0	111.3	L206 L455 G482 S483	L206-N457 HydrophobicContact CD2-CB 3.69Å; L206-N457 HydrophobicContact CG-CB 4.07Å; L455-N457 PolarHBondContact O-ND2 2.98Å; N457-G482 PolarHBondContact OD1-O 2.83Å; N457-S483 WeakPolarHBondContact OD1-CA 3.16Å; N457-S483 PolarHBondContact OD1-N 3.44Å; N457-S483 PolarHBondContact OD1-OG 3.18Å
458	P	83.6	Confident	94.6	Very high	36 Å²	36	38.3 Å²	38.3	23%	0.234	19%	0.193	C	C	.	.	S	Bend	cis	-73	-171.3	-11.5	33	-37.5	0	0	0	112.1	P153 S460 K461 S483	P153-P458 HydrophobicContact CB-CB 4.33Å; P458-S460 PolarHBondContact O-N 3.27Å; P458-K461 WeakPolarHBondContact O-CA 3.36Å; P458-K461 WeakPolarHBondContact O-CB 3.31Å; P458-K461 PolarHBondContact O-N 3.29Å; P458-S483 WeakPolarHBondContact CA-OG 3.42Å
459	T	84.9	Confident	94.6	Very high	59 Å²	59	29.6 Å²	29.6	36%	0.362	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-50.2	-34.8	-178.2	-48	0	0	0	0	114	K461 A462 S483 F485	T459-K461 PolarHBondContact O-N 2.95Å; T459-K461 VanDerWaalsContact O-N 3.15Å; T459-A462 WeakPolarHBondContact O-CB 3.5Å; T459-A462 PolarHBondContact O-N 3.12Å; T459-A462 VanDerWaalsContact O-N 3.15Å; T459-S483 PolarHBondContact N-OG 3.14Å; T459-S483 WeakPolarHBondContact OG1-CB 3.37Å; T459-F485 HydrophobicContact CG2-CD1 4.22Å; T459-F485 HydrophobicContact CG2-CE1 3.47Å; T459-F485 VanDerWaalsContact CG2-CE1 3.47Å; T459-F485 HydrophobicContact CG2-CZ 3.71Å
460	S	85.1	Confident	94.6	Very high	94 Å²	94	26.9 Å²	26.9	66%	0.657	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	-66.5	-11.8	177.1	60.3	0	0	0	0	114.2	P458	P458-S460 PolarHBondContact O-N 3.27Å
461	K	90.9	Very high	94.6	Very high	83 Å²	83	32.3 Å²	32.3	36%	0.361	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-108	-1.3	177.5	-59	-57.4	-169.1	172.2	0	113.2	A430 S456 P458 T459	A430-K461 HydrophobicContact CB-CB 4.31Å; S456-K461 WeakPolarHBondContact CB-O 3.3Å; P458-K461 WeakPolarHBondContact O-CA 3.36Å; P458-K461 WeakPolarHBondContact O-CB 3.31Å; P458-K461 PolarHBondContact O-N 3.29Å; T459-K461 PolarHBondContact O-N 2.95Å; T459-K461 VanDerWaalsContact O-N 3.15Å
462	A	93.9	Very high	94.6	Very high	7 Å²	7	34.1 Å²	34.1	6%	0.058	18%	0.182	C	C	.	.			trans	-62	136.3	176.8	0	0	0	0	0	111	G432 G433 T459 C464 F485	G432-A462 WeakPolarHBondContact CA-O 3.39Å; G433-A462 PolarHBondContact N-O 3.25Å; T459-A462 WeakPolarHBondContact O-CB 3.5Å; T459-A462 PolarHBondContact O-N 3.12Å; T459-A462 VanDerWaalsContact O-N 3.15Å; A462-C464 VanDerWaalsContact C-N 3.26Å; A462-C464 PolarHBondContact O-N 2.78Å; A462-F485 HydrophobicContact CB-CE2 4.21Å; A462-F485 HydrophobicContact CB-CZ 3.86Å
463	E	98.1	Very high	94.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-63.2	-33	-175.6	-70.3	76.9	-173	0	0	112.6	G427 V428 A429 G433 A434 F435 A454 L455 S456	G427-E463 VanDerWaalsContact C-CD 3.44Å; G427-E463 VanDerWaalsContact CA-CD 3.41Å; G427-E463 VanDerWaalsContact CA-OE1 3.29Å; G427-E463 WeakPolarHBondContact CA-OE1 3.36Å; V428-E463 PolarHBondContact N-OE1 3.47Å; V428-E463 VanDerWaalsContact N-OE1 3.17Å; A429-E463 PolarHBondContact N-OE1 3.03Å; G433-E463 CarbonylContact C-O 3.53Å; G433-E463 WeakPolarHBondContact CA-O 3.47Å; G433-E463 PolarHBondContact N-O 2.7Å; A434-E463 HydrophobicContact CB-CG 4.37Å; A434-E463 PolarHBondContact N-O 3.19Å; F435-E463 HydrophobicContact CB-CB 4.21Å; F435-E463 HydrophobicContact CD1-CB 3.78Å; F435-E463 HydrophobicContact CD1-CG 4.24Å; F435-E463 HydrophobicContact CD2-CB 3.57Å; F435-E463 HydrophobicContact CE1-CB 3.95Å; F435-E463 HydrophobicContact CE1-CG 4Å; F435-E463 HydrophobicContact CE2-CB 3.77Å; F435-E463 HydrophobicContact CE2-CG 4.34Å; F435-E463 HydrophobicContact CG-CB 3.59Å; F435-E463 HydrophobicContact CZ-CB 3.96Å; F435-E463 HydrophobicContact CZ-CG 4.07Å; F435-E463 PolarHBondContact N-O 3.33Å; A454-E463 WeakPolarHBondContact CA-OE2 3.48Å; A454-E463 HydrophobicContact CB-CB 4.15Å; L455-E463 PolarHBondContact N-OE2 2.82Å; S456-E463 VanDerWaalsContact CB-OE1 3.27Å; S456-E463 WeakPolarHBondContact CB-OE1 3.37Å; S456-E463 PolarHBondContact N-OE2 2.77Å; S456-E463 PolarHBondContact OG-OE1 3.29Å
464	C	98.1	Very high	94.5	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.007	21%	0.211	C	C	.	.	S	Bend	trans	-153.2	168.3	163.3	62.7	0	0	0	0	110.3	F435 I440 A462 Q468	F435-C464 HydrophobicContact CB-CB 3.92Å; I440-C464 HydrophobicContact CD1-CB 3.84Å; A462-C464 VanDerWaalsContact C-N 3.26Å; A462-C464 PolarHBondContact O-N 2.78Å; C464-Q468 HydrophobicContact CB-CB 4.42Å
465	T	98.1	Very high	94.5	Very high	47 Å²	47	40.5 Å²	40.5	29%	0.288	21%	0.211	S	C	.	.			trans	-84.9	156.9	172.3	73.1	0	0	0	0	111.6	E467 Q468 C469 F485	T465-E467 PolarHBondContact O-N 2.95Å; T465-Q468 PolarHBondContact O-N 2.88Å; T465-Q468 WeakPolarHBondContact OG1-CG 3.43Å; T465-Q468 PolarHBondContact OG1-N 3.39Å; T465-Q468 VanDerWaalsContact OG1-N 3.08Å; T465-Q468 PolarHBondContact OG1-OE1 3.17Å; T465-C469 PolarHBondContact O-N 2.64Å; T465-F485 HydrophobicContact CG2-CE1 3.87Å; T465-F485 HydrophobicContact CG2-CZ 4.27Å
466	A	97.6	Very high	94.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-55.1	-40.1	171.2	0	0	0	0	0	111.8	C469 Y470 F479 F485 V488 P498	A466-C469 PolarHBondContact O-N 2.7Å; A466-Y470 HydrophobicContact CB-CD2 4.36Å; A466-Y470 HydrophobicContact CB-CE2 4.13Å; A466-Y470 WeakPolarHBondContact O-CD2 3.48Å; A466-Y470 PolarHBondContact O-N 3.2Å; A466-F479 HydrophobicContact CB-CD1 3.8Å; A466-F479 HydrophobicContact CB-CE1 3.53Å; A466-F479 HydrophobicContact CB-CZ 4.19Å; A466-F485 HydrophobicContact CB-CB 3.92Å; A466-F485 HydrophobicContact CB-CD2 4.31Å; A466-F485 HydrophobicContact CB-CG 4.11Å; A466-V488 HydrophobicContact CB-CG2 4.03Å; A466-P498 HydrophobicContact CB-CB 3.73Å; A466-P498 HydrophobicContact CB-CG 3.7Å
467	E	97.8	Very high	94.9	Very high	97 Å²	97	42 Å²	42	45%	0.453	22%	0.215	S	C	.	.	H	α-helix	trans	-63.6	-44.8	178.8	-175.8	176.2	-153.9	0	0	112.2	T465 K471 V488	T465-E467 PolarHBondContact O-N 2.95Å; E467-K471 HydrophobicContact CG-CD 3.79Å; E467-K471 HydrophobicContact CG-CG 4.29Å; E467-K471 VanDerWaalsContact O-CB 3.28Å; E467-K471 WeakPolarHBondContact O-CB 3.34Å; E467-K471 VanDerWaalsContact O-CG 3.31Å; E467-K471 WeakPolarHBondContact O-CG 3.3Å; E467-K471 PolarHBondContact O-N 3.21Å; E467-K471 WeakPolarHBondContact OE1-CE 3.41Å; E467-K471 IonicContact OE1-NZ 3.02Å; E467-K471 PolarHBondContact OE1-NZ 3.25Å; E467-V488 HydrophobicContact CB-CG1 4.48Å; E467-V488 HydrophobicContact CB-CG2 4.25Å; E467-V488 HydrophobicContact CG-CG1 4.45Å
468	Q	98	Very high	95.5	Very high	86 Å²	86	40.7 Å²	40.7	40%	0.402	21%	0.209	S	C	.	.	H	α-helix	trans	-60.1	-49.1	174.9	-75.2	172	-43.1	0	0	110.8	I440 C464 T465 L472	I440-Q468 HydrophobicContact CD1-CB 4.32Å; C464-Q468 HydrophobicContact CB-CB 4.42Å; T465-Q468 PolarHBondContact O-N 2.88Å; T465-Q468 WeakPolarHBondContact OG1-CG 3.43Å; T465-Q468 PolarHBondContact OG1-N 3.39Å; T465-Q468 VanDerWaalsContact OG1-N 3.08Å; T465-Q468 PolarHBondContact OG1-OE1 3.17Å; Q468-L472 HydrophobicContact CB-CD1 4.4Å; Q468-L472 VanDerWaalsContact O-CB 3.22Å; Q468-L472 WeakPolarHBondContact O-CB 3.41Å; Q468-L472 WeakPolarHBondContact O-CD1 3.31Å; Q468-L472 WeakPolarHBondContact O-CG 3.35Å; Q468-L472 PolarHBondContact O-N 3.46Å
469	C	98.3	Very high	96.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.1	-55.8	177.9	178.1	0	0	0	0	111.4	T465 A466 K471 T473 F479	T465-C469 PolarHBondContact O-N 2.64Å; A466-C469 PolarHBondContact O-N 2.7Å; C469-K471 PolarHBondContact O-N 2.95Å; C469-T473 WeakPolarHBondContact O-CB 3.36Å; C469-T473 VanDerWaalsContact O-CG2 3.26Å; C469-T473 WeakPolarHBondContact O-CG2 3.4Å; C469-T473 PolarHBondContact O-N 3.46Å; C469-T473 VanDerWaalsContact O-N 3.09Å; C469-T473 PolarHBondContact O-OG1 2.77Å; C469-F479 HydrophobicContact CB-CB 4.39Å; C469-F479 HydrophobicContact CB-CD2 3.53Å; C469-F479 HydrophobicContact CB-CE2 4.06Å; C469-F479 HydrophobicContact CB-CG 4.11Å
470	Y	98.4	Very high	96.8	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-68	-38.6	-175.4	-63.9	-49.4	0	0	0	113.3	A466 E474 G475 G477 F479 V488 F496 P498	A466-Y470 HydrophobicContact CB-CD2 4.36Å; A466-Y470 HydrophobicContact CB-CE2 4.13Å; A466-Y470 WeakPolarHBondContact O-CD2 3.48Å; A466-Y470 PolarHBondContact O-N 3.2Å; Y470-E474 PolarHBondContact O-N 3.05Å; Y470-G475 PolarHBondContact O-N 3.17Å; Y470-G477 WeakPolarHBondContact CE1-O 3.45Å; Y470-F479 HydrophobicContact CE1-CB 3.89Å; Y470-V488 HydrophobicContact CD2-CB 3.83Å; Y470-V488 HydrophobicContact CD2-CG1 4.08Å; Y470-V488 HydrophobicContact CD2-CG2 3.99Å; Y470-V488 HydrophobicContact CE2-CB 4.4Å; Y470-V488 HydrophobicContact CE2-CG2 4.4Å; Y470-F496 HydrophobicContact CD1-CD1 4.45Å; Y470-F496 HydrophobicContact CD1-CD2 4.4Å; Y470-F496 HydrophobicContact CD1-CG 4.23Å; Y470-F496 HydrophobicContact CD2-CB 3.92Å; Y470-F496 HydrophobicContact CD2-CD2 4.44Å; Y470-F496 HydrophobicContact CD2-CG 4.28Å; Y470-F496 HydrophobicContact CE1-CB 4.24Å; Y470-F496 HydrophobicContact CE1-CD1 4.06Å; Y470-F496 HydrophobicContact CE1-CG 4.08Å; Y470-F496 HydrophobicContact CE2-CB 3.48Å; Y470-F496 VanDerWaalsContact CE2-CB 3.48Å; Y470-F496 HydrophobicContact CE2-CG 4.12Å; Y470-F496 HydrophobicContact CG-CB 4.46Å; Y470-F496 HydrophobicContact CG-CD2 4.28Å; Y470-F496 HydrophobicContact CG-CG 4.33Å; Y470-P498 HydrophobicContact CE2-CB 4.29Å
471	K	98	Very high	97.3	Very high	115 Å²	115	31.8 Å²	31.8	50%	0.5	15%	0.15	S	C	.	.	H	α-helix	trans	-67.1	-47.7	178.7	-74	-177.6	174.8	177.6	0	112	E467 C469 T473 E474 L490	E467-K471 HydrophobicContact CG-CD 3.79Å; E467-K471 HydrophobicContact CG-CG 4.29Å; E467-K471 VanDerWaalsContact O-CB 3.28Å; E467-K471 WeakPolarHBondContact O-CB 3.34Å; E467-K471 VanDerWaalsContact O-CG 3.31Å; E467-K471 WeakPolarHBondContact O-CG 3.3Å; E467-K471 PolarHBondContact O-N 3.21Å; E467-K471 WeakPolarHBondContact OE1-CE 3.41Å; E467-K471 IonicContact OE1-NZ 3.02Å; E467-K471 PolarHBondContact OE1-NZ 3.25Å; C469-K471 PolarHBondContact O-N 2.95Å; K471-T473 VanDerWaalsContact C-N 3.29Å; K471-T473 PolarHBondContact O-N 2.77Å; K471-E474 PolarHBondContact O-N 2.94Å; K471-L490 HydrophobicContact CG-CD2 4.16Å
472	L	98.3	Very high	97.2	Very high	38 Å²	38	28 Å²	28	20%	0.199	13%	0.134	C	C	.	.	H	α-helix	trans	-75.3	-19.5	-174.6	-62.7	174.2	0	0	0	113.4	E437 I440 Q468	E437-L472 HydrophobicContact CB-CD1 3.98Å; E437-L472 HydrophobicContact CG-CD1 3.85Å; E437-L472 HydrophobicContact CG-CD2 3.77Å; E437-L472 HydrophobicContact CG-CG 4.45Å; I440-L472 HydrophobicContact CB-CB 4.32Å; I440-L472 HydrophobicContact CB-CD1 4.15Å; I440-L472 HydrophobicContact CD1-CD1 3.93Å; I440-L472 HydrophobicContact CG2-CB 3.65Å; I440-L472 HydrophobicContact CG2-CD1 4.22Å; Q468-L472 HydrophobicContact CB-CD1 4.4Å; Q468-L472 VanDerWaalsContact O-CB 3.22Å; Q468-L472 WeakPolarHBondContact O-CB 3.41Å; Q468-L472 WeakPolarHBondContact O-CD1 3.31Å; Q468-L472 WeakPolarHBondContact O-CG 3.35Å; Q468-L472 PolarHBondContact O-N 3.46Å
473	T	98.3	Very high	96.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	8.5	173.4	66.2	0	0	0	0	113.3	I440 A444 P450 I452 C469 K471 G475 R476 G477	I440-T473 HydrophobicContact CG2-CG2 3.51Å; A444-T473 HydrophobicContact CB-CG2 3.87Å; P450-T473 HydrophobicContact CG-CG2 4.16Å; I452-T473 HydrophobicContact CD1-CG2 4.09Å; C469-T473 WeakPolarHBondContact O-CB 3.36Å; C469-T473 VanDerWaalsContact O-CG2 3.26Å; C469-T473 WeakPolarHBondContact O-CG2 3.4Å; C469-T473 PolarHBondContact O-N 3.46Å; C469-T473 VanDerWaalsContact O-N 3.09Å; C469-T473 PolarHBondContact O-OG1 2.77Å; K471-T473 VanDerWaalsContact C-N 3.29Å; K471-T473 PolarHBondContact O-N 2.77Å; T473-G475 PolarHBondContact O-N 3.37Å; T473-R476 VanDerWaalsContact O-CB 3.22Å; T473-R476 WeakPolarHBondContact O-CB 3.48Å; T473-R476 WeakPolarHBondContact O-CG 3.2Å; T473-R476 PolarHBondContact O-N 2.91Å; T473-G477 WeakPolarHBondContact OG1-CA 3.32Å; T473-G477 PolarHBondContact OG1-N 3.15Å
474	E	97.4	Very high	96.3	Very high	133 Å²	133	30.6 Å²	30.6	62%	0.621	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	35.9	-179.8	-58.1	156.7	-156.2	0	0	113	Y470 K471 R476 R494	Y470-E474 PolarHBondContact O-N 3.05Å; K471-E474 PolarHBondContact O-N 2.94Å; E474-R476 PolarHBondContact O-N 3.05Å; E474-R494 PolarHBondContact O-NH2 3.36Å
475	G	96.9	Very high	95.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	13.2	-176.9	0	0	0	0	0	114.6	R449 Y470 T473 R494	R449-G475 PolarHBondContact NH1-O 2.79Å; Y470-G475 PolarHBondContact O-N 3.17Å; T473-G475 PolarHBondContact O-N 3.37Å; G475-R494 PolarHBondContact O-NH1 2.96Å
476	R	97.6	Very high	95.7	Very high	51 Å²	51	37.4 Å²	37.4	19%	0.192	18%	0.183	C	C	.	.			trans	-88.9	-25	176.9	-59.7	-170.4	-69.7	123.2	-7.1	113.5	A444 N447 Y448 R449 T473 E474	A444-R476 PolarHBondContact O-NH1 2.67Å; A444-R476 PolarHBondContact O-NH2 3.23Å; N447-R476 PolarHBondContact O-NH1 2.91Å; N447-R476 VanDerWaalsContact O-NH1 3.08Å; Y448-R476 WeakPolarHBondContact O-CB 3.45Å; Y448-R476 PolarHBondContact O-NH1 2.91Å; R449-R476 WeakPolarHBondContact CD-O 3.43Å; R449-R476 VanDerWaalsContact CZ-O 3.27Å; R449-R476 PolarHBondContact NE-O 2.94Å; T473-R476 VanDerWaalsContact O-CB 3.22Å; T473-R476 WeakPolarHBondContact O-CB 3.48Å; T473-R476 WeakPolarHBondContact O-CG 3.2Å; T473-R476 PolarHBondContact O-N 2.91Å; E474-R476 PolarHBondContact O-N 3.05Å
477	G	98	Very high	95.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.01	21%	0.211	C	C	.	.			trans	-62.6	137.1	179.1	0	0	0	0	0	112.6	P450 Y470 T473	P450-G477 WeakPolarHBondContact O-CA 3.43Å; Y470-G477 WeakPolarHBondContact CE1-O 3.45Å; T473-G477 WeakPolarHBondContact OG1-CA 3.32Å; T473-G477 PolarHBondContact OG1-N 3.15Å
478	I	98.5	Very high	95.6	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	108.4	172.3	-61	171.7	0	0	0	107	A333 I336 T337 R449 P450 I451 I452 L548	A333-I478 HydrophobicContact CB-CD1 4.41Å; A333-I478 HydrophobicContact CB-CG2 3.86Å; I336-I478 HydrophobicContact CB-CD1 3.87Å; I336-I478 HydrophobicContact CD1-CD1 4.35Å; I336-I478 HydrophobicContact CD1-CG1 4.34Å; I336-I478 HydrophobicContact CD1-CG2 4.25Å; I336-I478 HydrophobicContact CG2-CD1 3.7Å; I336-I478 HydrophobicContact CG2-CG1 4.14Å; T337-I478 HydrophobicContact CG2-CD1 3.68Å; R449-I478 HydrophobicContact CB-CD1 3.87Å; R449-I478 HydrophobicContact CB-CG1 4.29Å; P450-I478 PolarHBondContact O-N 3.05Å; I451-I478 HydrophobicContact CG1-CB 4.33Å; I451-I478 HydrophobicContact CG1-CD1 4.19Å; I452-I478 PolarHBondContact N-O 3.41Å; I478-L548 HydrophobicContact CG2-CD1 3.53Å; I478-L548 HydrophobicContact CG2-CD2 3.71Å; I478-L548 HydrophobicContact CG2-CG 4.08Å
479	F	98.4	Very high	95.6	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.2	-168.9	-176	-97.1	0	0	0	112.9	I452 A454 A466 C469 Y470 F485 P498	I452-F479 HydrophobicContact CG2-CD2 4.31Å; I452-F479 WeakPolarHBondContact O-CA 3.44Å; I452-F479 WeakPolarHBondContact O-CD2 3.2Å; A454-F479 HydrophobicContact CB-CE2 3.94Å; A454-F479 HydrophobicContact CB-CZ 4.09Å; A466-F479 HydrophobicContact CB-CD1 3.8Å; A466-F479 HydrophobicContact CB-CE1 3.53Å; A466-F479 HydrophobicContact CB-CZ 4.19Å; C469-F479 HydrophobicContact CB-CB 4.39Å; C469-F479 HydrophobicContact CB-CD2 3.53Å; C469-F479 HydrophobicContact CB-CE2 4.06Å; C469-F479 HydrophobicContact CB-CG 4.11Å; Y470-F479 HydrophobicContact CE1-CB 3.89Å; F479-F485 HydrophobicContact CE1-CD2 4.06Å; F479-F485 HydrophobicContact CE1-CE2 4.4Å; F479-F485 HydrophobicContact CZ-CD2 4.28Å; F479-F485 HydrophobicContact CZ-CE2 4.16Å; F479-P498 HydrophobicContact CD1-CB 3.74Å; F479-P498 HydrophobicContact CE1-CB 4.07Å
480	A	97.8	Very high	95.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	154	163.5	0	0	0	0	0	110.3	I452 F453 A454 G499 L548 Y549	I452-A480 PolarHBondContact O-N 3.41Å; F453-A480 CarbonylContact C-O 3.6Å; F453-A480 WeakPolarHBondContact CA-O 3.45Å; F453-A480 HydrophobicContact CD1-CB 3.79Å; F453-A480 HydrophobicContact CE1-CB 3.78Å; F453-A480 HydrophobicContact CG-CB 4.31Å; F453-A480 HydrophobicContact CZ-CB 4.26Å; A454-A480 PolarHBondContact N-O 2.86Å; A480-G499 WeakPolarHBondContact CA-O 3.46Å; A480-L548 HydrophobicContact CB-CD1 4.03Å; A480-Y549 HydrophobicContact CB-CE2 3.9Å
481	S	94.8	Very high	95.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.007	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	159.8	179	55.8	0	0	0	0	113	A454 S483 F485 G499 Q500 G501	A454-S481 CarbonylContact O-C 3.55Å; A454-S481 WeakPolarHBondContact O-CA 3.22Å; A454-S481 WeakPolarHBondContact O-CB 3.42Å; S481-S483 WeakPolarHBondContact CB-O 3.44Å; S481-S483 PolarHBondContact OG-O 2.9Å; S481-F485 VanDerWaalsContact OG-CD2 3.32Å; S481-F485 WeakPolarHBondContact OG-CD2 3.19Å; S481-G499 PolarHBondContact N-O 3.28Å; S481-G499 VanDerWaalsContact N-O 3.13Å; S481-Q500 CarbonylContact O-C 3.41Å; S481-Q500 VanDerWaalsContact O-CA 3.29Å; S481-Q500 WeakPolarHBondContact O-CA 3.37Å; S481-G501 PolarHBondContact O-N 2.88Å
482	G	89	Confident	95	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.031	25%	0.25	C	C	.	.	S	Bend	trans	-74.9	-40.6	175.1	0	0	0	0	0	111.8	A454 N457 Q500	A454-G482 PolarHBondContact O-N 3.02Å; N457-G482 PolarHBondContact OD1-O 2.83Å; G482-Q500 WeakPolarHBondContact O-CG 3.24Å; G482-Q500 PolarHBondContact O-NE2 3.28Å
483	S	84.9	Confident	94.9	Very high	5 Å²	5	46 Å²	46	4%	0.035	27%	0.266	C	S	.	.	S	Bend	trans	-96	153.9	176.5	-71.6	0	0	0	0	111.7	N457 P458 T459 S481	N457-S483 WeakPolarHBondContact OD1-CA 3.16Å; N457-S483 PolarHBondContact OD1-N 3.44Å; N457-S483 PolarHBondContact OD1-OG 3.18Å; P458-S483 WeakPolarHBondContact CA-OG 3.42Å; T459-S483 PolarHBondContact N-OG 3.14Å; T459-S483 WeakPolarHBondContact OG1-CB 3.37Å; S481-S483 WeakPolarHBondContact CB-O 3.44Å; S481-S483 PolarHBondContact OG-O 2.9Å
484	P	87.2	Confident	94.7	Very high	57 Å²	57	50.7 Å²	50.7	37%	0.37	28%	0.284	S	S	.	.			trans	-69.4	145.4	179.8	29.5	-34.6	0	0	0	111.7
485	F	91.6	Very high	94.7	Very high	44 Å²	44	46.7 Å²	46.7	19%	0.193	27%	0.269	C	S	.	.			trans	-128.7	149.7	168.2	-75.3	-75.5	0	0	0	109.6	T459 A462 T465 A466 F479 S481 P498	T459-F485 HydrophobicContact CG2-CD1 4.22Å; T459-F485 HydrophobicContact CG2-CE1 3.47Å; T459-F485 VanDerWaalsContact CG2-CE1 3.47Å; T459-F485 HydrophobicContact CG2-CZ 3.71Å; A462-F485 HydrophobicContact CB-CE2 4.21Å; A462-F485 HydrophobicContact CB-CZ 3.86Å; T465-F485 HydrophobicContact CG2-CE1 3.87Å; T465-F485 HydrophobicContact CG2-CZ 4.27Å; A466-F485 HydrophobicContact CB-CB 3.92Å; A466-F485 HydrophobicContact CB-CD2 4.31Å; A466-F485 HydrophobicContact CB-CG 4.11Å; F479-F485 HydrophobicContact CE1-CD2 4.06Å; F479-F485 HydrophobicContact CE1-CE2 4.4Å; F479-F485 HydrophobicContact CZ-CD2 4.28Å; F479-F485 HydrophobicContact CZ-CE2 4.16Å; S481-F485 VanDerWaalsContact OG-CD2 3.32Å; S481-F485 WeakPolarHBondContact OG-CD2 3.19Å; F485-P498 HydrophobicContact CB-CG 3.87Å
486	D	92.5	Very high	94.7	Very high	146 Å²	146	47.2 Å²	47.2	78%	0.781	27%	0.271	S	S	*	.			trans	-64.7	161.5	174.1	-67.8	-37.8	0	0	0	111.9
487	K	95.6	Very high	94.6	Very high	137 Å²	137	47.6 Å²	47.6	60%	0.596	27%	0.274	S	S	*	.			trans	-58.8	144.9	171.7	68.2	179.1	-178.1	178.3	0	111	T495 F496 F497	K487-T495 HydrophobicContact CB-CG2 4.4Å; K487-T495 HydrophobicContact CD-CG2 4.26Å; K487-F496 CarbonylContact C-O 3.59Å; K487-F496 VanDerWaalsContact CA-O 3.3Å; K487-F496 WeakPolarHBondContact CA-O 3.39Å; K487-F497 HydrophobicContact CB-CD1 3.88Å; K487-F497 HydrophobicContact CB-CE1 4.03Å; K487-F497 HydrophobicContact CB-CG 4.48Å; K487-F497 HydrophobicContact CD-CE1 4.01Å; K487-F497 HydrophobicContact CD-CZ 4.43Å
488	V	97.5	Very high	94.3	Very high	12 Å²	12	48.3 Å²	48.3	7%	0.073	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.1	-178.8	-179.2	0	0	0	0	109.4	A466 E467 Y470 L490 T495 F496	A466-V488 HydrophobicContact CB-CG2 4.03Å; E467-V488 HydrophobicContact CB-CG1 4.48Å; E467-V488 HydrophobicContact CB-CG2 4.25Å; E467-V488 HydrophobicContact CG-CG1 4.45Å; Y470-V488 HydrophobicContact CD2-CB 3.83Å; Y470-V488 HydrophobicContact CD2-CG1 4.08Å; Y470-V488 HydrophobicContact CD2-CG2 3.99Å; Y470-V488 HydrophobicContact CE2-CB 4.4Å; Y470-V488 HydrophobicContact CE2-CG2 4.4Å; V488-L490 HydrophobicContact CG1-CD2 4.28Å; V488-T495 CarbonylContact O-C 3.56Å; V488-T495 WeakPolarHBondContact O-CA 3.39Å; V488-F496 PolarHBondContact N-O 3.47Å; V488-F496 PolarHBondContact O-N 2.97Å
489	T	97.5	Very high	93.8	Very high	82 Å²	82	48.5 Å²	48.5	50%	0.503	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.7	172.2	-58.4	0	0	0	0	109.5	R494 T495	T489-R494 WeakPolarHBondContact CA-O 3.39Å; T489-T495 PolarHBondContact OG1-OG1 3.03Å
490	L	96.4	Very high	93.4	Very high	19 Å²	19	49.8 Å²	49.8	10%	0.099	29%	0.287	C	S	.	.			trans	-81.7	164.5	176.6	-63.7	-173	0	0	0	111.6	K471 V488 D492 G493 R494 F496	K471-L490 HydrophobicContact CG-CD2 4.16Å; V488-L490 HydrophobicContact CG1-CD2 4.28Å; L490-D492 WeakPolarHBondContact CB-OD1 3.49Å; L490-D492 PolarHBondContact O-N 3.26Å; L490-G493 PolarHBondContact O-N 2.91Å; L490-R494 PolarHBondContact N-O 2.96Å; L490-F496 HydrophobicContact CD1-CD2 4.31Å; L490-F496 HydrophobicContact CD1-CE2 3.6Å; L490-F496 HydrophobicContact CG-CD2 4.26Å; L490-F496 HydrophobicContact CG-CE2 3.99Å
491	A	94.3	Very high	93	Very high	122 Å²	122	50.1 Å²	50.1	100%	1.008	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.5	179.7	0	0	0	0	0	113.7	G493	A491-G493 VanDerWaalsContact C-N 3.27Å
492	D	93.4	Very high	92.7	Very high	94 Å²	94	50.6 Å²	50.6	50%	0.503	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	1.6	176.2	65.5	10.6	0	0	0	113.7	L490 R494	L490-D492 WeakPolarHBondContact CB-OD1 3.49Å; L490-D492 PolarHBondContact O-N 3.26Å; D492-R494 WeakPolarHBondContact OD1-CB 3.33Å; D492-R494 PolarHBondContact OD1-N 2.87Å; D492-R494 IonicContact OD1-NE 2.83Å; D492-R494 PolarHBondContact OD1-NE 2.77Å; D492-R494 IonicContact OD2-CZ 3.23Å; D492-R494 IonicContact OD2-NE 2.69Å; D492-R494 PolarHBondContact OD2-NE 2.72Å; D492-R494 IonicContact OD2-NH2 3.81Å; D492-R494 PolarHBondContact OD2-NH2 3.3Å
493	G	94.3	Very high	92.9	Very high	53 Å²	53	51.4 Å²	51.4	55%	0.546	30%	0.297	S	S	.	.	S	Bend	trans	89.2	-8.4	178.7	0	0	0	0	0	115.1	L490 A491 T495	L490-G493 PolarHBondContact O-N 2.91Å; A491-G493 VanDerWaalsContact C-N 3.27Å; G493-T495 PolarHBondContact O-N 3.01Å
494	R	94.7	Very high	93.3	Very high	100 Å²	100	51.1 Å²	51.1	38%	0.377	30%	0.296	S	S	.	.			trans	-64.4	135.8	173.5	-69.3	-176.7	-70	160.3	-1.2	110.1	E474 G475 T489 L490 D492 F496	E474-R494 PolarHBondContact O-NH2 3.36Å; G475-R494 PolarHBondContact O-NH1 2.96Å; T489-R494 WeakPolarHBondContact CA-O 3.39Å; L490-R494 PolarHBondContact N-O 2.96Å; D492-R494 WeakPolarHBondContact OD1-CB 3.33Å; D492-R494 PolarHBondContact OD1-N 2.87Å; D492-R494 IonicContact OD1-NE 2.83Å; D492-R494 PolarHBondContact OD1-NE 2.77Å; D492-R494 IonicContact OD2-CZ 3.23Å; D492-R494 IonicContact OD2-NE 2.69Å; D492-R494 PolarHBondContact OD2-NE 2.72Å; D492-R494 IonicContact OD2-NH2 3.81Å; D492-R494 PolarHBondContact OD2-NH2 3.3Å; R494-F496 HydrophobicContact CB-CE2 3.86Å; R494-F496 HydrophobicContact CB-CZ 4.28Å
495	T	96.8	Very high	93.8	Very high	48 Å²	48	48.9 Å²	48.9	29%	0.294	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.7	178.2	-62.1	0	0	0	0	109.7	K487 V488 T489 G493 F497	K487-T495 HydrophobicContact CB-CG2 4.4Å; K487-T495 HydrophobicContact CD-CG2 4.26Å; V488-T495 CarbonylContact O-C 3.56Å; V488-T495 WeakPolarHBondContact O-CA 3.39Å; T489-T495 PolarHBondContact OG1-OG1 3.03Å; G493-T495 PolarHBondContact O-N 3.01Å; T495-F497 HydrophobicContact CG2-CE2 3.93Å; T495-F497 HydrophobicContact CG2-CZ 4.11Å
496	F	96.8	Very high	94.2	Very high	12 Å²	12	46.8 Å²	46.8	5%	0.053	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	143.2	-179.6	-64.2	-86.2	0	0	0	110.7	Y470 K487 V488 L490 R494 E545	Y470-F496 HydrophobicContact CD1-CD1 4.45Å; Y470-F496 HydrophobicContact CD1-CD2 4.4Å; Y470-F496 HydrophobicContact CD1-CG 4.23Å; Y470-F496 HydrophobicContact CD2-CB 3.92Å; Y470-F496 HydrophobicContact CD2-CD2 4.44Å; Y470-F496 HydrophobicContact CD2-CG 4.28Å; Y470-F496 HydrophobicContact CE1-CB 4.24Å; Y470-F496 HydrophobicContact CE1-CD1 4.06Å; Y470-F496 HydrophobicContact CE1-CG 4.08Å; Y470-F496 HydrophobicContact CE2-CB 3.48Å; Y470-F496 VanDerWaalsContact CE2-CB 3.48Å; Y470-F496 HydrophobicContact CE2-CG 4.12Å; Y470-F496 HydrophobicContact CG-CB 4.46Å; Y470-F496 HydrophobicContact CG-CD2 4.28Å; Y470-F496 HydrophobicContact CG-CG 4.33Å; K487-F496 CarbonylContact C-O 3.59Å; K487-F496 VanDerWaalsContact CA-O 3.3Å; K487-F496 WeakPolarHBondContact CA-O 3.39Å; V488-F496 PolarHBondContact N-O 3.47Å; V488-F496 PolarHBondContact O-N 2.97Å; L490-F496 HydrophobicContact CD1-CD2 4.31Å; L490-F496 HydrophobicContact CD1-CE2 3.6Å; L490-F496 HydrophobicContact CG-CD2 4.26Å; L490-F496 HydrophobicContact CG-CE2 3.99Å; R494-F496 HydrophobicContact CB-CE2 3.86Å; R494-F496 HydrophobicContact CB-CZ 4.28Å; F496-E545 WeakPolarHBondContact CA-O 3.4Å
497	F	95.9	Very high	94.4	Very high	58 Å²	58	39.9 Å²	39.9	25%	0.254	23%	0.233	S	C	.	.			trans	-116.1	91.1	176.3	-62.1	-98.4	0	0	0	107.9	K487 T495 G499 E545 R547	K487-F497 HydrophobicContact CB-CD1 3.88Å; K487-F497 HydrophobicContact CB-CE1 4.03Å; K487-F497 HydrophobicContact CB-CG 4.48Å; K487-F497 HydrophobicContact CD-CE1 4.01Å; K487-F497 HydrophobicContact CD-CZ 4.43Å; T495-F497 HydrophobicContact CG2-CE2 3.93Å; T495-F497 HydrophobicContact CG2-CZ 4.11Å; F497-G499 PolarHBondContact O-N 3.01Å; F497-E545 HydrophobicContact CD2-CB 3.85Å; F497-E545 HydrophobicContact CD2-CG 4.01Å; F497-E545 HydrophobicContact CE2-CB 4.5Å; F497-E545 HydrophobicContact CE2-CG 4.17Å; F497-E545 PolarHBondContact N-O 3.3Å; F497-R547 HydrophobicContact CB-CG 4Å; F497-R547 VanDerWaalsContact O-CG 3.31Å; F497-R547 WeakPolarHBondContact O-CG 3.3Å
498	P	91.6	Very high	94.6	Very high	17 Å²	17	33.3 Å²	33.3	11%	0.11	21%	0.205	C	C	.	.			trans	-59.3	126.5	-174.4	25.5	-33.9	0	0	0	110.9	A466 Y470 F479 F485	A466-P498 HydrophobicContact CB-CB 3.73Å; A466-P498 HydrophobicContact CB-CG 3.7Å; Y470-P498 HydrophobicContact CE2-CB 4.29Å; F479-P498 HydrophobicContact CD1-CB 3.74Å; F479-P498 HydrophobicContact CE1-CB 4.07Å; F485-P498 HydrophobicContact CB-CG 3.87Å
499	G	88.4	Confident	94.6	Very high	7 Å²	7	32.8 Å²	32.8	7%	0.072	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	144.7	179.4	0	0	0	0	0	112	A480 S481 F497	A480-G499 WeakPolarHBondContact CA-O 3.46Å; S481-G499 PolarHBondContact N-O 3.28Å; S481-G499 VanDerWaalsContact N-O 3.13Å; F497-G499 PolarHBondContact O-N 3.01Å
500	Q	89.6	Confident	94.7	Very high	28 Å²	28	28.9 Å²	28.9	13%	0.131	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	114.2	174.5	-164.4	-172.9	-1.3	0	0	110.1	S481 G482 N502 Y505 Y549	S481-Q500 CarbonylContact O-C 3.41Å; S481-Q500 VanDerWaalsContact O-CA 3.29Å; S481-Q500 WeakPolarHBondContact O-CA 3.37Å; G482-Q500 WeakPolarHBondContact O-CG 3.24Å; G482-Q500 PolarHBondContact O-NE2 3.28Å; Q500-N502 HydrophobicContact CG-CB 3.94Å; Q500-N502 PolarHBondContact NE2-ND2 3.12Å; Q500-N502 PolarHBondContact O-N 3.31Å; Q500-Y505 WeakPolarHBondContact O-CE2 3.48Å; Q500-Y549 WeakPolarHBondContact O-CD2 3.5Å
501	G	90.1	Very high	94.8	Very high	8 Å²	8	28 Å²	28	8%	0.082	17%	0.173	C	C	.	.			trans	-74	60.5	170.4	0	0	0	0	0	111.5	S481	S481-G501 PolarHBondContact O-N 2.88Å
502	N	88.2	Confident	95	Very high	10 Å²	10	22.4 Å²	22.4	5%	0.053	13%	0.126	C	C	.	.			trans	-88.6	131.8	-176.8	-165.6	-39.1	0	0	0	110.9	Q500 A504 Y505	Q500-N502 HydrophobicContact CG-CB 3.94Å; Q500-N502 PolarHBondContact NE2-ND2 3.12Å; Q500-N502 PolarHBondContact O-N 3.31Å; N502-A504 HydrophobicContact CB-CB 4.43Å; N502-A504 PolarHBondContact O-N 2.78Å; N502-A504 WeakPolarHBondContact OD1-CB 3.22Å; N502-A504 PolarHBondContact OD1-N 3.41Å; N502-Y505 HydrophobicContact CB-CD2 4.42Å; N502-Y505 WeakPolarHBondContact O-CD2 3.3Å; N502-Y505 PolarHBondContact O-N 3.19Å
503	N	93.2	Very high	95.3	Very high	20 Å²	20	17.9 Å²	17.9	11%	0.107	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-57.1	-17.3	175.4	-63.4	20.8	0	0	0	113.3	D317 T322 Y505 V506 F507	D317-N503 PolarHBondContact O-ND2 2.97Å; D317-N503 WeakPolarHBondContact OD2-CB 3.4Å; D317-N503 PolarHBondContact OD2-ND2 3.23Å; T322-N503 PolarHBondContact N-ND2 3.38Å; T322-N503 PolarHBondContact OG1-ND2 3.18Å; T322-N503 PolarHBondContact OG1-OD1 2.81Å; T322-N503 VanDerWaalsContact OG1-OD1 3.07Å; N503-Y505 PolarHBondContact O-N 3.1Å; N503-Y505 VanDerWaalsContact O-N 3.1Å; N503-V506 WeakPolarHBondContact O-CA 3.45Å; N503-V506 PolarHBondContact O-N 3.1Å; N503-F507 HydrophobicContact CB-CD1 4.05Å; N503-F507 HydrophobicContact CB-CE1 4.32Å; N503-F507 WeakPolarHBondContact O-CD1 3.3Å; N503-F507 PolarHBondContact O-N 2.77Å; N503-F507 VanDerWaalsContact O-N 3.16Å
504	A	94.6	Very high	95.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-56.9	-17.9	171.1	0	0	0	0	0	114.5	M147 L225 N502 V506 F507 P508	M147-A504 HydrophobicContact SD-CB 3.96Å; L225-A504 HydrophobicContact CD1-CB 4.35Å; N502-A504 HydrophobicContact CB-CB 4.43Å; N502-A504 PolarHBondContact O-N 2.78Å; N502-A504 WeakPolarHBondContact OD1-CB 3.22Å; N502-A504 PolarHBondContact OD1-N 3.41Å; A504-V506 VanDerWaalsContact C-N 3.31Å; A504-F507 HydrophobicContact CB-CE1 4.25Å; A504-F507 HydrophobicContact CB-CZ 4.36Å; A504-P508 VanDerWaalsContact O-CD 3.22Å; A504-P508 WeakPolarHBondContact O-CD 3.26Å; A504-P508 VanDerWaalsContact O-CG 3.22Å; A504-P508 WeakPolarHBondContact O-CG 3.47Å
505	Y	97.4	Very high	95.6	Very high	10 Å²	10	11.7 Å²	11.7	4%	0.039	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-74.6	-19.1	169.1	-74.4	-79.3	0	0	0	113.7	Q500 N502 N503 Y549 P550 I555 V558 I562	Q500-Y505 WeakPolarHBondContact O-CE2 3.48Å; N502-Y505 HydrophobicContact CB-CD2 4.42Å; N502-Y505 WeakPolarHBondContact O-CD2 3.3Å; N502-Y505 PolarHBondContact O-N 3.19Å; N503-Y505 PolarHBondContact O-N 3.1Å; N503-Y505 VanDerWaalsContact O-N 3.1Å; Y505-Y549 HydrophobicContact CE2-CG 4.45Å; Y505-P550 WeakPolarHBondContact CE1-O 3.24Å; Y505-P550 VanDerWaalsContact CZ-O 3.3Å; Y505-P550 PolarHBondContact OH-O 3.5Å; Y505-I555 HydrophobicContact CD1-CD1 3.21Å; Y505-I555 HydrophobicContact CD2-CD1 4.48Å; Y505-I555 HydrophobicContact CE1-CD1 3.5Å; Y505-I555 VanDerWaalsContact CE1-CD1 3.5Å; Y505-I555 HydrophobicContact CG-CD1 3.76Å; Y505-V558 HydrophobicContact CD1-CG1 4.18Å; Y505-I562 WeakPolarHBondContact O-CD1 3.3Å
506	V	98.6	Very high	95.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-68.4	-168.7	179.6	0	0	0	0	110.8	V325 N503 A504 P508 G509 V510 F527 T530 I534	V325-V506 HydrophobicContact CB-CG2 3.82Å; N503-V506 WeakPolarHBondContact O-CA 3.45Å; N503-V506 PolarHBondContact O-N 3.1Å; A504-V506 VanDerWaalsContact C-N 3.31Å; V506-P508 VanDerWaalsContact C-N 3.33Å; V506-P508 VanDerWaalsContact O-N 3.16Å; V506-G509 PolarHBondContact O-N 3.17Å; V506-V510 HydrophobicContact CG1-CG2 3.86Å; V506-V510 WeakPolarHBondContact O-CG2 3.38Å; V506-V510 PolarHBondContact O-N 2.96Å; V506-F527 HydrophobicContact CG1-CD1 4.07Å; V506-F527 HydrophobicContact CG1-CE1 4.24Å; V506-T530 HydrophobicContact CB-CG2 4.49Å; V506-T530 HydrophobicContact CG1-CG2 4.03Å; V506-T530 HydrophobicContact CG2-CG2 4.45Å; V506-I534 HydrophobicContact CG2-CD1 3.78Å
507	F	98.3	Very high	95.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-56.7	-36.4	-168.2	67.8	-104.3	0	0	0	114.4	L225 Y226 F315 D317 N503 A504 A511	L225-F507 HydrophobicContact CB-CE2 3.79Å; L225-F507 HydrophobicContact CB-CZ 3.71Å; L225-F507 HydrophobicContact CD1-CZ 3.98Å; L225-F507 HydrophobicContact CG-CZ 4.49Å; Y226-F507 AromaticContact CD2-CD2 3.36Å; Y226-F507 HydrophobicContact CD2-CD2 3.36Å; Y226-F507 AromaticContact CD2-CE2 3.54Å; Y226-F507 HydrophobicContact CD2-CE2 3.54Å; Y226-F507 HydrophobicContact CE2-CB 4.28Å; Y226-F507 AromaticContact CE2-CD2 3.2Å; Y226-F507 HydrophobicContact CE2-CD2 3.2Å; Y226-F507 AromaticContact CE2-CE2 3.81Å; Y226-F507 HydrophobicContact CE2-CE2 3.81Å; Y226-F507 HydrophobicContact CE2-CG 4.04Å; Y226-F507 HydrophobicContact CG-CD2 4.48Å; F315-F507 HydrophobicContact CE2-CB 4.44Å; F315-F507 HydrophobicContact CZ-CB 4.13Å; D317-F507 WeakPolarHBondContact OD1-CB 3.39Å; N503-F507 HydrophobicContact CB-CD1 4.05Å; N503-F507 HydrophobicContact CB-CE1 4.32Å; N503-F507 WeakPolarHBondContact O-CD1 3.3Å; N503-F507 PolarHBondContact O-N 2.77Å; N503-F507 VanDerWaalsContact O-N 3.16Å; A504-F507 HydrophobicContact CB-CE1 4.25Å; A504-F507 HydrophobicContact CB-CZ 4.36Å; F507-A511 WeakPolarHBondContact O-CB 3.38Å; F507-A511 PolarHBondContact O-N 3.46Å
508	P	98.6	Very high	95.8	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-68.9	-41.6	-178	-14	27.5	0	0	0	112.2	C229 G230 A504 V506 L512	C229-P508 HydrophobicContact CB-CB 3.91Å; C229-P508 HydrophobicContact CB-CG 3.73Å; G230-P508 VanDerWaalsContact N-CB 3.28Å; A504-P508 VanDerWaalsContact O-CD 3.22Å; A504-P508 WeakPolarHBondContact O-CD 3.26Å; A504-P508 VanDerWaalsContact O-CG 3.22Å; A504-P508 WeakPolarHBondContact O-CG 3.47Å; V506-P508 VanDerWaalsContact C-N 3.33Å; V506-P508 VanDerWaalsContact O-N 3.16Å; P508-L512 WeakPolarHBondContact O-CB 3.32Å; P508-L512 PolarHBondContact O-N 3.27Å
509	G	98.6	Very high	96	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-71.3	-41.3	178.3	0	0	0	0	0	112.6	V506 L512 G513 S559	V506-G509 PolarHBondContact O-N 3.17Å; G509-L512 PolarHBondContact O-N 3.05Å; G509-G513 PolarHBondContact O-N 3.35Å; G509-S559 WeakPolarHBondContact CA-O 3.24Å
510	V	98.8	Very high	96	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61	-49.7	174.4	172.3	0	0	0	0	110.2	V506 L512 G513 V514 I526 F527 T530 I562	V506-V510 HydrophobicContact CG1-CG2 3.86Å; V506-V510 WeakPolarHBondContact O-CG2 3.38Å; V506-V510 PolarHBondContact O-N 2.96Å; V510-L512 PolarHBondContact O-N 2.9Å; V510-G513 PolarHBondContact O-N 3.41Å; V510-V514 HydrophobicContact CG1-CG2 4.12Å; V510-V514 VanDerWaalsContact O-CB 3.31Å; V510-V514 WeakPolarHBondContact O-CB 3.41Å; V510-V514 VanDerWaalsContact O-CG2 3.29Å; V510-V514 WeakPolarHBondContact O-CG2 3.35Å; V510-V514 PolarHBondContact O-N 2.68Å; V510-I526 HydrophobicContact CG1-CG2 4.09Å; V510-I526 HydrophobicContact CG2-CG2 4.46Å; V510-F527 HydrophobicContact CG1-CE1 4.42Å; V510-F527 HydrophobicContact CG2-CE1 4.47Å; V510-T530 HydrophobicContact CG2-CG2 3.95Å; V510-T530 WeakPolarHBondContact CG2-OG1 3.44Å; V510-I562 HydrophobicContact CG2-CG2 4.33Å
511	A	98.6	Very high	96.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.8	-47.4	178.9	0	0	0	0	0	112	Y226 V232 L290 F507 G513 V514 I515	Y226-A511 HydrophobicContact CD1-CB 3.68Å; Y226-A511 HydrophobicContact CE1-CB 3.17Å; V232-A511 HydrophobicContact CG2-CB 4.43Å; L290-A511 HydrophobicContact CD2-CB 3.6Å; F507-A511 WeakPolarHBondContact O-CB 3.38Å; F507-A511 PolarHBondContact O-N 3.46Å; A511-G513 VanDerWaalsContact C-N 3.33Å; A511-G513 PolarHBondContact O-N 3.45Å; A511-V514 PolarHBondContact O-N 2.91Å; A511-I515 HydrophobicContact CB-CD1 4.43Å; A511-I515 VanDerWaalsContact O-CB 3.3Å; A511-I515 WeakPolarHBondContact O-CB 3.28Å; A511-I515 WeakPolarHBondContact O-CD1 3.05Å; A511-I515 WeakPolarHBondContact O-CG1 3.46Å; A511-I515 PolarHBondContact O-N 3.19Å
512	L	98.7	Very high	96.4	Very high	5 Å²	5	14.4 Å²	14.4	3%	0.026	6%	0.063	C	C	.	.	H	α-helix	trans	-56.6	-47.8	176.5	177.9	68	0	0	0	111	G230 V232 P508 G509 V510 A516 A563 V589 I593	G230-L512 VanDerWaalsContact O-CD2 3.31Å; G230-L512 WeakPolarHBondContact O-CD2 3.4Å; V232-L512 HydrophobicContact CG2-CB 4.33Å; P508-L512 WeakPolarHBondContact O-CB 3.32Å; P508-L512 PolarHBondContact O-N 3.27Å; G509-L512 PolarHBondContact O-N 3.05Å; V510-L512 PolarHBondContact O-N 2.9Å; L512-A516 WeakPolarHBondContact O-CB 3.15Å; L512-A516 PolarHBondContact O-N 2.97Å; L512-A563 HydrophobicContact CB-CB 3.91Å; L512-A563 HydrophobicContact CD2-CB 3.54Å; L512-A563 HydrophobicContact CG-CB 3.68Å; L512-V589 HydrophobicContact CD2-CG1 3.71Å; L512-V589 HydrophobicContact CG-CG1 4.2Å; L512-I593 HydrophobicContact CD1-CG1 4.43Å; L512-I593 HydrophobicContact CD2-CD1 4.14Å; L512-I593 HydrophobicContact CD2-CG1 3.96Å
513	G	98.5	Very high	96.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.7	-46	-179.8	0	0	0	0	0	113.4	G509 V510 A511 A516 C517	G509-G513 PolarHBondContact O-N 3.35Å; V510-G513 PolarHBondContact O-N 3.41Å; A511-G513 VanDerWaalsContact C-N 3.33Å; A511-G513 PolarHBondContact O-N 3.45Å; G513-A516 PolarHBondContact O-N 3.42Å; G513-C517 PolarHBondContact O-N 3.25Å; G513-C517 PolarHBondContact O-SG 3.32Å
514	V	98.4	Very high	96.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-59.6	-48.5	178	159.4	0	0	0	0	111.2	L290 C313 V510 A511 G518 V519 I522 V566	L290-V514 HydrophobicContact CB-CG1 4.46Å; C313-V514 WeakPolarHBondContact SG-CG1 3.42Å; V510-V514 HydrophobicContact CG1-CG2 4.12Å; V510-V514 VanDerWaalsContact O-CB 3.31Å; V510-V514 WeakPolarHBondContact O-CB 3.41Å; V510-V514 VanDerWaalsContact O-CG2 3.29Å; V510-V514 WeakPolarHBondContact O-CG2 3.35Å; V510-V514 PolarHBondContact O-N 2.68Å; A511-V514 PolarHBondContact O-N 2.91Å; V514-G518 WeakPolarHBondContact O-CA 3.45Å; V514-G518 PolarHBondContact O-N 3.28Å; V514-V519 HydrophobicContact CB-CB 4.39Å; V514-V519 HydrophobicContact CG1-CB 4.14Å; V514-V519 HydrophobicContact CG2-CB 4.23Å; V514-V519 HydrophobicContact CG2-CG2 4.32Å; V514-V519 PolarHBondContact O-N 3Å; V514-I522 HydrophobicContact CG1-CD1 4.23Å; V514-I522 HydrophobicContact CG2-CD1 4.07Å; V514-I522 HydrophobicContact CG2-CG1 4.11Å; V514-V566 HydrophobicContact CG2-CG1 4.35Å
515	I	98.3	Very high	96.8	Very high	22 Å²	22	19.7 Å²	19.7	11%	0.113	9%	0.093	C	C	.	.	H	α-helix	trans	-66.4	-44.9	179.6	-66.5	163.9	0	0	0	110.1	K195 A196 V232 L290 A511 C517 G518	K195-I515 HydrophobicContact CB-CD1 4.28Å; K195-I515 HydrophobicContact CB-CG1 4.26Å; K195-I515 HydrophobicContact CB-CG2 3.77Å; K195-I515 HydrophobicContact CG-CG2 4.1Å; A196-I515 HydrophobicContact CB-CD1 3.89Å; V232-I515 HydrophobicContact CG1-CD1 3.96Å; V232-I515 HydrophobicContact CG2-CD1 4.34Å; L290-I515 HydrophobicContact CB-CG1 4.45Å; L290-I515 HydrophobicContact CD2-CD1 4.41Å; A511-I515 HydrophobicContact CB-CD1 4.43Å; A511-I515 VanDerWaalsContact O-CB 3.3Å; A511-I515 WeakPolarHBondContact O-CB 3.28Å; A511-I515 WeakPolarHBondContact O-CD1 3.05Å; A511-I515 WeakPolarHBondContact O-CG1 3.46Å; A511-I515 PolarHBondContact O-N 3.19Å; I515-C517 PolarHBondContact O-N 3.41Å; I515-G518 PolarHBondContact O-N 3.04Å
516	A	98.3	Very high	96.8	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.017	9%	0.092	C	C	.	.	H	α-helix	trans	-61.8	-38.4	-174.6	0	0	0	0	0	113.4	L512 G513 V567 F588 Q592	L512-A516 WeakPolarHBondContact O-CB 3.15Å; L512-A516 PolarHBondContact O-N 2.97Å; G513-A516 PolarHBondContact O-N 3.42Å; A516-V567 HydrophobicContact CB-CG2 4.32Å; A516-F588 HydrophobicContact CB-CE1 4.23Å; A516-F588 VanDerWaalsContact O-CE1 3.25Å; A516-F588 WeakPolarHBondContact O-CE1 3.42Å; A516-F588 WeakPolarHBondContact O-CZ 3.39Å; A516-Q592 PolarHBondContact O-NE2 3.42Å
517	C	97.9	Very high	96.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-104.8	4.1	178.6	66.2	0	0	0	0	114.4	G513 I515 V519 V567 A570 Y571 A576 S577 V578	G513-C517 PolarHBondContact O-N 3.25Å; G513-C517 PolarHBondContact O-SG 3.32Å; I515-C517 PolarHBondContact O-N 3.41Å; C517-V519 VanDerWaalsContact SG-CG2 3.54Å; C517-V567 HydrophobicContact CB-CG1 4.25Å; C517-V567 HydrophobicContact CB-CG2 4.02Å; C517-A570 VanDerWaalsContact SG-CB 3.54Å; C517-Y571 HydrophobicContact CB-CE2 4.05Å; C517-A576 HydrophobicContact CB-CB 4.05Å; C517-S577 PolarHBondContact O-N 3.19Å; C517-V578 PolarHBondContact O-N 2.95Å; C517-V578 VanDerWaalsContact O-N 3.13Å
518	G	97.1	Very high	96.8	Very high	4 Å²	4	19.5 Å²	19.5	4%	0.041	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	54.1	178.5	0	0	0	0	0	112.5	V514 I515 S577	V514-G518 WeakPolarHBondContact O-CA 3.45Å; V514-G518 PolarHBondContact O-N 3.28Å; I515-G518 PolarHBondContact O-N 3.04Å; G518-S577 VanDerWaalsContact O-CB 3.27Å; G518-S577 WeakPolarHBondContact O-CB 3.47Å; G518-S577 PolarHBondContact O-N 2.99Å; G518-S577 PolarHBondContact O-OG 2.72Å
519	V	95.5	Very high	96.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.			trans	-63.4	137.3	174.3	173	0	0	0	0	109.8	C313 V514 C517 H521 I522 I526 A570 I575	C313-V519 PolarHBondContact SG-O 3.14Å; C313-V519 VanDerWaalsContact SG-O 3.32Å; V514-V519 HydrophobicContact CB-CB 4.39Å; V514-V519 HydrophobicContact CG1-CB 4.14Å; V514-V519 HydrophobicContact CG2-CB 4.23Å; V514-V519 HydrophobicContact CG2-CG2 4.32Å; V514-V519 PolarHBondContact O-N 3Å; C517-V519 VanDerWaalsContact SG-CG2 3.54Å; V519-H521 WeakPolarHBondContact CG1-O 3.47Å; V519-I522 HydrophobicContact CG1-CG1 4.41Å; V519-I526 HydrophobicContact CG1-CD1 4.33Å; V519-A570 HydrophobicContact CG2-CB 3.88Å; V519-I575 HydrophobicContact CG1-CD1 4.33Å
520	R	88.6	Confident	96.8	Very high	150 Å²	150	20.8 Å²	20.8	57%	0.566	10%	0.101	S	C	*	.	S	Bend	trans	-89.1	-34.9	178.6	-68	-177.1	178	-176	1.4	113.8	Y312 C313	Y312-R520 CarbonylContact C-O 3.36Å; Y312-R520 VanDerWaalsContact C-O 3.25Å; C313-R520 VanDerWaalsContact CA-O 3.22Å; C313-R520 WeakPolarHBondContact CA-O 3.42Å; C313-R520 WeakPolarHBondContact CB-O 3.41Å; C313-R520 PolarHBondContact N-O 2.96Å; C313-R520 VanDerWaalsContact N-O 3.1Å
521	H	91.7	Very high	96.8	Very high	76 Å²	76	20.8 Å²	20.8	35%	0.352	10%	0.101	S	C	.	.	S	Bend	trans	-139.6	135.7	-179.3	-54.6	-56.6	0	0	0	109.7	N310 R311 V519	N310-H521 PolarHBondContact O-CE1 2.85Å; N310-H521 VanDerWaalsContact O-CE1 3.23Å; R311-H521 VanDerWaalsContact C-CE1 3.47Å; V519-H521 WeakPolarHBondContact CG1-O 3.47Å
522	I	96.6	Very high	96.8	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	11%	0.112	C	C	.	.			trans	-99.4	103.7	-177.2	-53.9	172.6	0	0	0	108.1	L290 F315 V514 V519 I526 F527	L290-I522 HydrophobicContact CD1-CD1 3.69Å; F315-I522 HydrophobicContact CB-CD1 4.29Å; F315-I522 HydrophobicContact CD1-CD1 3.63Å; F315-I522 HydrophobicContact CE1-CD1 4.45Å; F315-I522 HydrophobicContact CG-CD1 4.39Å; V514-I522 HydrophobicContact CG1-CD1 4.23Å; V514-I522 HydrophobicContact CG2-CD1 4.07Å; V514-I522 HydrophobicContact CG2-CG1 4.11Å; V519-I522 HydrophobicContact CG1-CG1 4.41Å; I522-I526 HydrophobicContact CG2-CB 4.25Å; I522-I526 HydrophobicContact CG2-CD1 4.03Å; I522-I526 HydrophobicContact CG2-CG2 4.2Å; I522-F527 HydrophobicContact CG2-CD2 4.36Å; I522-F527 HydrophobicContact CG2-CE2 3.5Å; I522-F527 HydrophobicContact CG2-CZ 3.93Å
523	S	93.6	Very high	96.7	Very high	35 Å²	35	23.2 Å²	23.2	25%	0.245	11%	0.113	C	C	.	.			trans	-78	160.9	176.2	63.8	0	0	0	0	111.7	D525 I526	S523-D525 PolarHBondContact O-N 3.32Å; S523-I526 WeakPolarHBondContact O-CB 3.45Å; S523-I526 PolarHBondContact O-N 3.01Å; S523-I526 VanDerWaalsContact O-N 3.14Å
524	E	94.3	Very high	96.7	Very high	38 Å²	38	23.2 Å²	23.2	18%	0.178	11%	0.113	C	C	.	.	H	α-helix	trans	-62.7	-25.3	173.9	-60.3	-57.3	166	0	0	112.5	R309 Q320 M364 I526 F527 L528	R309-E524 IonicContact CZ-OE1 3.45Å; R309-E524 VanDerWaalsContact CZ-OE1 3.25Å; R309-E524 IonicContact NH1-OE1 2.64Å; R309-E524 PolarHBondContact NH1-OE1 3.01Å; R309-E524 VanDerWaalsContact NH2-CD 3.32Å; R309-E524 IonicContact NH2-OE1 2.77Å; R309-E524 PolarHBondContact NH2-OE1 3.25Å; Q320-E524 VanDerWaalsContact NE2-CD 3.3Å; Q320-E524 PolarHBondContact NE2-OE1 2.63Å; Q320-E524 VanDerWaalsContact NE2-OE1 3.1Å; Q320-E524 PolarHBondContact NE2-OE2 3.14Å; M364-E524 HydrophobicContact CE-CB 3.63Å; M364-E524 HydrophobicContact SD-CB 3.34Å; M364-E524 WeakPolarHBondContact SD-CB 3.3Å; M364-E524 HydrophobicContact SD-CG 3.9Å; E524-I526 PolarHBondContact O-N 3.32Å; E524-F527 WeakPolarHBondContact O-CB 3.39Å; E524-F527 PolarHBondContact O-N 3.37Å; E524-L528 PolarHBondContact O-N 3.17Å
525	D	96.3	Very high	96.7	Very high	68 Å²	68	23.2 Å²	23.2	36%	0.364	11%	0.113	S	C	.	.	H	α-helix	trans	-60.4	-29.8	175	-61.9	-83.2	0	0	0	113	S523 F527 L528 T529 Y569	S523-D525 PolarHBondContact O-N 3.32Å; D525-F527 VanDerWaalsContact C-N 3.34Å; D525-L528 PolarHBondContact O-N 3.15Å; D525-T529 WeakPolarHBondContact O-CB 3.41Å; D525-T529 PolarHBondContact O-N 3.09Å; D525-T529 PolarHBondContact O-OG1 3.5Å; D525-Y569 HydrophobicContact CB-CE1 4.31Å; D525-Y569 HydrophobicContact CB-CE2 3.91Å; D525-Y569 WeakPolarHBondContact CB-OH 3.16Å
526	I	97.9	Very high	96.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-64.3	-43.3	173.6	-72.9	175.9	0	0	0	109.7	V510 V519 I522 S523 E524 T530 V566 Y569 I575	V510-I526 HydrophobicContact CG1-CG2 4.09Å; V510-I526 HydrophobicContact CG2-CG2 4.46Å; V519-I526 HydrophobicContact CG1-CD1 4.33Å; I522-I526 HydrophobicContact CG2-CB 4.25Å; I522-I526 HydrophobicContact CG2-CD1 4.03Å; I522-I526 HydrophobicContact CG2-CG2 4.2Å; S523-I526 WeakPolarHBondContact O-CB 3.45Å; S523-I526 PolarHBondContact O-N 3.01Å; S523-I526 VanDerWaalsContact O-N 3.14Å; E524-I526 PolarHBondContact O-N 3.32Å; I526-T530 VanDerWaalsContact O-CB 3.28Å; I526-T530 WeakPolarHBondContact O-CB 3.27Å; I526-T530 PolarHBondContact O-N 2.61Å; I526-T530 PolarHBondContact O-OG1 2.99Å; I526-V566 HydrophobicContact CG2-CG1 4.37Å; I526-V566 HydrophobicContact CG2-CG2 4.03Å; I526-Y569 HydrophobicContact CG1-CD1 3.99Å; I526-Y569 HydrophobicContact CG1-CE1 4.06Å; I526-I575 HydrophobicContact CD1-CD1 4.17Å
527	F	98.6	Very high	96.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-70.2	-36.6	177.7	-67.4	-74.2	0	0	0	112.7	F315 Q320 S324 L361 V506 V510 I522 E524 D525 T530 A531	F315-F527 HydrophobicContact CB-CE2 4.11Å; F315-F527 HydrophobicContact CB-CZ 3.68Å; F315-F527 HydrophobicContact CD1-CZ 4.46Å; F315-F527 HydrophobicContact CD2-CE1 4.06Å; F315-F527 AromaticContact CD2-CZ 3.62Å; F315-F527 HydrophobicContact CD2-CZ 3.62Å; F315-F527 HydrophobicContact CE2-CE1 4.37Å; F315-F527 HydrophobicContact CE2-CZ 4.31Å; F315-F527 AromaticContact CG-CZ 3.7Å; F315-F527 HydrophobicContact CG-CZ 3.7Å; Q320-F527 HydrophobicContact CB-CD1 4.09Å; Q320-F527 HydrophobicContact CB-CD2 3.84Å; Q320-F527 HydrophobicContact CB-CE1 3.9Å; Q320-F527 HydrophobicContact CB-CE2 3.64Å; Q320-F527 HydrophobicContact CB-CG 4.07Å; Q320-F527 HydrophobicContact CB-CZ 3.68Å; Q320-F527 HydrophobicContact CG-CD2 4.45Å; Q320-F527 HydrophobicContact CG-CE2 4.2Å; Q320-F527 WeakPolarHBondContact O-CD1 3.5Å; S324-F527 PolarHBondContact OG-O 3.13Å; L361-F527 HydrophobicContact CD1-CB 4.39Å; L361-F527 HydrophobicContact CD2-CB 4.4Å; V506-F527 HydrophobicContact CG1-CD1 4.07Å; V506-F527 HydrophobicContact CG1-CE1 4.24Å; V510-F527 HydrophobicContact CG1-CE1 4.42Å; V510-F527 HydrophobicContact CG2-CE1 4.47Å; I522-F527 HydrophobicContact CG2-CD2 4.36Å; I522-F527 HydrophobicContact CG2-CE2 3.5Å; I522-F527 HydrophobicContact CG2-CZ 3.93Å; E524-F527 WeakPolarHBondContact O-CB 3.39Å; E524-F527 PolarHBondContact O-N 3.37Å; D525-F527 VanDerWaalsContact C-N 3.34Å; F527-T530 PolarHBondContact O-N 2.74Å; F527-A531 WeakPolarHBondContact O-CB 3.44Å; F527-A531 PolarHBondContact O-N 3.04Å
528	L	98.3	Very high	96.7	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-66.3	-47.1	173.3	-177.6	58.4	0	0	0	111.3	V327 F331 L361 M364 A365 K368 E524 D525 T530 A531 E532	V327-L528 HydrophobicContact CG1-CD1 4.43Å; F331-L528 HydrophobicContact CE2-CD1 4Å; F331-L528 HydrophobicContact CZ-CD1 3.92Å; L361-L528 HydrophobicContact CD1-CB 3.88Å; M364-L528 HydrophobicContact CB-CD2 4.43Å; A365-L528 HydrophobicContact CB-CD1 3.85Å; K368-L528 HydrophobicContact CD-CD2 4.15Å; E524-L528 PolarHBondContact O-N 3.17Å; D525-L528 PolarHBondContact O-N 3.15Å; L528-T530 PolarHBondContact O-N 2.92Å; L528-A531 WeakPolarHBondContact O-CB 3.4Å; L528-A531 PolarHBondContact O-N 2.88Å; L528-A531 VanDerWaalsContact O-N 3.11Å; L528-E532 WeakPolarHBondContact O-CG 3.39Å; L528-E532 PolarHBondContact O-N 3.04Å
529	T	97.9	Very high	96.7	Very high	25 Å²	25	32.2 Å²	32.2	15%	0.153	16%	0.162	C	C	.	.	H	α-helix	trans	-59.5	-36.4	175.3	-59.6	0	0	0	0	111.2	D525 A533 K565	D525-T529 WeakPolarHBondContact O-CB 3.41Å; D525-T529 PolarHBondContact O-N 3.09Å; D525-T529 PolarHBondContact O-OG1 3.5Å; T529-A533 WeakPolarHBondContact O-CB 3.42Å; T529-A533 PolarHBondContact O-N 3.41Å; T529-K565 HydrophobicContact CG2-CB 4.31Å
530	T	98.6	Very high	96.7	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-68.3	-42.2	176.1	-61.3	0	0	0	0	111.2	V506 V510 I526 F527 L528 E532 A533 I534 I562	V506-T530 HydrophobicContact CB-CG2 4.49Å; V506-T530 HydrophobicContact CG1-CG2 4.03Å; V506-T530 HydrophobicContact CG2-CG2 4.45Å; V510-T530 HydrophobicContact CG2-CG2 3.95Å; V510-T530 WeakPolarHBondContact CG2-OG1 3.44Å; I526-T530 VanDerWaalsContact O-CB 3.28Å; I526-T530 WeakPolarHBondContact O-CB 3.27Å; I526-T530 PolarHBondContact O-N 2.61Å; I526-T530 PolarHBondContact O-OG1 2.99Å; F527-T530 PolarHBondContact O-N 2.74Å; L528-T530 PolarHBondContact O-N 2.92Å; T530-E532 PolarHBondContact O-N 3.47Å; T530-A533 PolarHBondContact O-N 3.19Å; T530-I534 HydrophobicContact CG2-CD1 3.93Å; T530-I534 HydrophobicContact CG2-CG1 4.49Å; T530-I534 VanDerWaalsContact O-CG1 3.31Å; T530-I534 WeakPolarHBondContact O-CG1 3.18Å; T530-I534 PolarHBondContact O-N 3.33Å; T530-I562 HydrophobicContact CG2-CD1 3.96Å; T530-I562 HydrophobicContact CG2-CG1 4.15Å; T530-I562 HydrophobicContact CG2-CG2 3.67Å
531	A	98.7	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-44.1	176.5	0	0	0	0	0	112	S324 V327 A328 F331 F527 L528 I534 A535	S324-A531 VanDerWaalsContact O-CB 3.24Å; S324-A531 WeakPolarHBondContact O-CB 3.33Å; S324-A531 PolarHBondContact OG-N 3.21Å; V327-A531 HydrophobicContact CB-CB 4.14Å; V327-A531 HydrophobicContact CG1-CB 4Å; A328-A531 HydrophobicContact CB-CB 4.15Å; A328-A531 WeakPolarHBondContact CB-O 3.37Å; F331-A531 HydrophobicContact CD2-CB 4.36Å; F331-A531 HydrophobicContact CE2-CB 4.22Å; F527-A531 WeakPolarHBondContact O-CB 3.44Å; F527-A531 PolarHBondContact O-N 3.04Å; L528-A531 WeakPolarHBondContact O-CB 3.4Å; L528-A531 PolarHBondContact O-N 2.88Å; L528-A531 VanDerWaalsContact O-N 3.11Å; A531-I534 PolarHBondContact O-N 2.89Å; A531-A535 WeakPolarHBondContact O-CB 3.37Å; A531-A535 PolarHBondContact O-N 3.21Å
532	E	98.3	Very high	97.3	Very high	51 Å²	51	34.8 Å²	34.8	24%	0.238	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-47	173.7	-68	173.9	165.8	0	0	111.3	F331 K368 L528 T530 I534 A535 D536	F331-E532 HydrophobicContact CD2-CG 4.13Å; F331-E532 HydrophobicContact CE2-CG 3.57Å; F331-E532 HydrophobicContact CZ-CG 4.29Å; K368-E532 IonicContact NZ-OE1 3.08Å; K368-E532 PolarHBondContact NZ-OE1 3.1Å; K368-E532 IonicContact NZ-OE2 2.76Å; K368-E532 PolarHBondContact NZ-OE2 3.01Å; L528-E532 WeakPolarHBondContact O-CG 3.39Å; L528-E532 PolarHBondContact O-N 3.04Å; T530-E532 PolarHBondContact O-N 3.47Å; E532-I534 PolarHBondContact O-N 3.22Å; E532-A535 PolarHBondContact O-N 3.34Å; E532-D536 WeakPolarHBondContact O-CB 3.41Å; E532-D536 VanDerWaalsContact O-CG 3.3Å; E532-D536 PolarHBondContact O-N 3.17Å
533	A	98.1	Very high	97.3	Very high	5 Å²	5	35.3 Å²	35.3	4%	0.041	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-42.5	179.6	0	0	0	0	0	112.6	T529 T530 D536 M537 I562 K565	T529-A533 WeakPolarHBondContact O-CB 3.42Å; T529-A533 PolarHBondContact O-N 3.41Å; T530-A533 PolarHBondContact O-N 3.19Å; A533-D536 PolarHBondContact O-N 2.78Å; A533-M537 WeakPolarHBondContact O-CE 3.31Å; A533-M537 WeakPolarHBondContact O-CG 3.45Å; A533-M537 PolarHBondContact O-N 3.11Å; A533-I562 HydrophobicContact CB-CG1 4.32Å; A533-K565 HydrophobicContact CB-CG 4.18Å
534	I	98.5	Very high	97.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-48.9	175.8	-67	162.3	0	0	0	110	A328 V506 T530 A531 E532 D536 M537 Y549 V558 I562	A328-I534 HydrophobicContact CB-CB 3.78Å; A328-I534 HydrophobicContact CB-CD1 4.29Å; A328-I534 HydrophobicContact CB-CG2 3.74Å; V506-I534 HydrophobicContact CG2-CD1 3.78Å; T530-I534 HydrophobicContact CG2-CD1 3.93Å; T530-I534 HydrophobicContact CG2-CG1 4.49Å; T530-I534 VanDerWaalsContact O-CG1 3.31Å; T530-I534 WeakPolarHBondContact O-CG1 3.18Å; T530-I534 PolarHBondContact O-N 3.33Å; A531-I534 PolarHBondContact O-N 2.89Å; E532-I534 PolarHBondContact O-N 3.22Å; I534-D536 VanDerWaalsContact C-N 3.32Å; I534-D536 PolarHBondContact O-N 3.04Å; I534-M537 PolarHBondContact O-N 2.8Å; I534-M537 VanDerWaalsContact O-N 3.15Å; I534-Y549 HydrophobicContact CG2-CD1 4.15Å; I534-V558 HydrophobicContact CG1-CG1 4.46Å; I534-I562 HydrophobicContact CD1-CD1 4.14Å; I534-I562 HydrophobicContact CG1-CD1 3.72Å; I534-I562 HydrophobicContact CG1-CG1 4.38Å
535	A	98.1	Very high	97.4	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-38.5	-179.5	0	0	0	0	0	112.3	F331 K335 A531 E532 M537 V538	F331-A535 HydrophobicContact CB-CB 3.51Å; F331-A535 HydrophobicContact CD2-CB 4.44Å; F331-A535 HydrophobicContact CG-CB 4.49Å; K335-A535 PolarHBondContact NZ-O 2.75Å; A531-A535 WeakPolarHBondContact O-CB 3.37Å; A531-A535 PolarHBondContact O-N 3.21Å; E532-A535 PolarHBondContact O-N 3.34Å; A535-M537 PolarHBondContact O-N 2.72Å; A535-V538 WeakPolarHBondContact O-CB 3.49Å; A535-V538 PolarHBondContact O-N 2.74Å
536	D	97.7	Very high	97.3	Very high	109 Å²	109	35.5 Å²	35.5	58%	0.583	20%	0.195	S	C	*	.	H	α-helix	trans	-62.5	-26.8	176.2	-78.5	-12.9	0	0	0	113.5	E532 A533 I534 V538	E532-D536 WeakPolarHBondContact O-CB 3.41Å; E532-D536 VanDerWaalsContact O-CG 3.3Å; E532-D536 PolarHBondContact O-N 3.17Å; A533-D536 PolarHBondContact O-N 2.78Å; I534-D536 VanDerWaalsContact C-N 3.32Å; I534-D536 PolarHBondContact O-N 3.04Å; D536-V538 VanDerWaalsContact C-N 3.35Å
537	M	97.6	Very high	97.3	Very high	35 Å²	35	38.1 Å²	38.1	17%	0.172	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-7.3	178.1	-70.3	-175.5	-85.6	0	0	113.8	A533 I534 A535 T539 P550 V558 K561 I562	A533-M537 WeakPolarHBondContact O-CE 3.31Å; A533-M537 WeakPolarHBondContact O-CG 3.45Å; A533-M537 PolarHBondContact O-N 3.11Å; I534-M537 PolarHBondContact O-N 2.8Å; I534-M537 VanDerWaalsContact O-N 3.15Å; A535-M537 PolarHBondContact O-N 2.72Å; M537-T539 PolarHBondContact O-N 2.92Å; M537-P550 HydrophobicContact CB-CG 3.82Å; M537-V558 HydrophobicContact CE-CB 4.15Å; M537-V558 HydrophobicContact CE-CG1 3.7Å; M537-V558 HydrophobicContact CE-CG2 4.29Å; M537-V558 HydrophobicContact SD-CB 4.29Å; M537-V558 HydrophobicContact SD-CG1 4.46Å; M537-V558 HydrophobicContact SD-CG2 4.01Å; M537-K561 HydrophobicContact CE-CB 4.06Å; M537-K561 HydrophobicContact CG-CD 4.17Å; M537-K561 HydrophobicContact SD-CB 3.76Å; M537-K561 HydrophobicContact SD-CD 3.3Å; M537-K561 WeakPolarHBondContact SD-CD 3.42Å; M537-K561 HydrophobicContact SD-CG 4.15Å; M537-I562 HydrophobicContact CE-CG1 4.21Å
538	V	97.9	Very high	97.2	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.036	21%	0.205	C	C	.	.			trans	-77.2	117.8	173.9	-172.8	0	0	0	0	109.2	A332 A535 D536 N542 L543 P550	A332-V538 HydrophobicContact CB-CG2 4.2Å; A535-V538 WeakPolarHBondContact O-CB 3.49Å; A535-V538 PolarHBondContact O-N 2.74Å; D536-V538 VanDerWaalsContact C-N 3.35Å; V538-N542 HydrophobicContact CG1-CB 3.75Å; V538-L543 HydrophobicContact CG1-CD2 3.58Å; V538-L543 HydrophobicContact CG1-CG 3.94Å; V538-P550 HydrophobicContact CG2-CG 4.25Å
539	T	97.4	Very high	97.2	Very high	67 Å²	67	38 Å²	38	41%	0.411	20%	0.204	S	C	.	.			trans	-82.5	162.2	-178.7	71.9	0	0	0	0	112	M537 E541 N542 L543	M537-T539 PolarHBondContact O-N 2.92Å; T539-E541 PolarHBondContact O-N 2.83Å; T539-E541 PolarHBondContact OG1-N 2.88Å; T539-N542 PolarHBondContact N-OD1 3.09Å; T539-N542 VanDerWaalsContact N-OD1 3.16Å; T539-N542 WeakPolarHBondContact O-CB 3.16Å; T539-N542 PolarHBondContact O-N 3.22Å; T539-N542 PolarHBondContact OG1-N 3.35Å; T539-N542 VanDerWaalsContact OG1-N 3.16Å; T539-N542 PolarHBondContact OG1-OD1 3.21Å; T539-L543 WeakPolarHBondContact O-CG 3.34Å; T539-L543 PolarHBondContact O-N 2.95Å
540	E	96.9	Very high	97.1	Very high	127 Å²	127	36.9 Å²	36.9	59%	0.593	20%	0.198	S	C	*	.	H	α-helix	trans	-59.3	-32.5	173.1	-66.1	-62.6	142.1	0	0	112.4	L543 A544	E540-L543 PolarHBondContact O-N 2.83Å; E540-A544 WeakPolarHBondContact O-CB 3.21Å; E540-A544 PolarHBondContact O-N 3.07Å
541	E	96.3	Very high	96.9	Very high	137 Å²	137	38.5 Å²	38.5	64%	0.64	21%	0.208	S	C	*	.	H	α-helix	trans	-64	-43	173	-178.2	177.4	-164.1	0	0	111.2	T539 L543 A544 E545	T539-E541 PolarHBondContact O-N 2.83Å; T539-E541 PolarHBondContact OG1-N 2.88Å; E541-L543 PolarHBondContact O-N 3.45Å; E541-A544 PolarHBondContact O-N 2.88Å; E541-E545 WeakPolarHBondContact O-CG 2.95Å; E541-E545 PolarHBondContact O-N 3.36Å; E541-E545 VanDerWaalsContact O-N 3.1Å
542	N	96.4	Very high	96.6	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.08	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-45.6	174.8	-59.7	155.2	0	0	0	111.2	V538 T539 A544 E545 G546 R547	V538-N542 HydrophobicContact CG1-CB 3.75Å; T539-N542 PolarHBondContact N-OD1 3.09Å; T539-N542 VanDerWaalsContact N-OD1 3.16Å; T539-N542 WeakPolarHBondContact O-CB 3.16Å; T539-N542 PolarHBondContact O-N 3.22Å; T539-N542 PolarHBondContact OG1-N 3.35Å; T539-N542 VanDerWaalsContact OG1-N 3.16Å; T539-N542 PolarHBondContact OG1-OD1 3.21Å; N542-A544 PolarHBondContact O-N 2.84Å; N542-E545 WeakPolarHBondContact O-CB 3.43Å; N542-E545 PolarHBondContact O-N 2.86Å; N542-G546 PolarHBondContact O-N 3.26Å; N542-R547 HydrophobicContact CB-CB 4.05Å; N542-R547 VanDerWaalsContact O-CB 3.3Å; N542-R547 WeakPolarHBondContact O-CB 3.19Å; N542-R547 PolarHBondContact O-N 3.32Å
543	L	96.8	Very high	96.3	Very high	14 Å²	14	40.9 Å²	40.9	7%	0.073	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-39.5	178.4	-62	177.7	0	0	0	112.1	A332 K335 I336 V538 T539 E540 E541 E545 G546	A332-L543 HydrophobicContact CB-CD2 4.38Å; K335-L543 HydrophobicContact CB-CD1 3.64Å; K335-L543 HydrophobicContact CD-CD1 4.14Å; I336-L543 HydrophobicContact CD1-CD2 4.04Å; I336-L543 HydrophobicContact CG1-CB 4.24Å; I336-L543 HydrophobicContact CG1-CD1 4.5Å; I336-L543 HydrophobicContact CG1-CD2 3.98Å; I336-L543 HydrophobicContact CG1-CG 4.47Å; V538-L543 HydrophobicContact CG1-CD2 3.58Å; V538-L543 HydrophobicContact CG1-CG 3.94Å; T539-L543 WeakPolarHBondContact O-CG 3.34Å; T539-L543 PolarHBondContact O-N 2.95Å; E540-L543 PolarHBondContact O-N 2.83Å; E541-L543 PolarHBondContact O-N 3.45Å; L543-E545 PolarHBondContact O-N 3.14Å; L543-G546 WeakPolarHBondContact O-CA 3.39Å; L543-G546 PolarHBondContact O-N 3.32Å
544	A	94.5	Very high	96.2	Very high	84 Å²	84	42.9 Å²	42.9	69%	0.694	24%	0.241	S	C	*	.	H	α-helix	trans	-63	-32.2	176.6	0	0	0	0	0	112.5	E540 E541 N542 G546	E540-A544 WeakPolarHBondContact O-CB 3.21Å; E540-A544 PolarHBondContact O-N 3.07Å; E541-A544 PolarHBondContact O-N 2.88Å; N542-A544 PolarHBondContact O-N 2.84Å; A544-G546 VanDerWaalsContact C-N 3.25Å; A544-G546 PolarHBondContact O-N 3.05Å
545	E	94.8	Very high	96.1	Very high	52 Å²	52	42.9 Å²	42.9	24%	0.243	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.6	172.1	-74.3	-173.6	174.4	0	0	113.9	F496 F497 E541 N542 L543 R547	F496-E545 WeakPolarHBondContact CA-O 3.4Å; F497-E545 HydrophobicContact CD2-CB 3.85Å; F497-E545 HydrophobicContact CD2-CG 4.01Å; F497-E545 HydrophobicContact CE2-CB 4.5Å; F497-E545 HydrophobicContact CE2-CG 4.17Å; F497-E545 PolarHBondContact N-O 3.3Å; E541-E545 WeakPolarHBondContact O-CG 2.95Å; E541-E545 PolarHBondContact O-N 3.36Å; E541-E545 VanDerWaalsContact O-N 3.1Å; N542-E545 WeakPolarHBondContact O-CB 3.43Å; N542-E545 PolarHBondContact O-N 2.86Å; L543-E545 PolarHBondContact O-N 3.14Å; E545-R547 HydrophobicContact CB-CG 4.24Å; E545-R547 IonicContact OE2-CZ 2.83Å; E545-R547 VanDerWaalsContact OE2-CZ 3.26Å; E545-R547 IonicContact OE2-NE 2.65Å; E545-R547 PolarHBondContact OE2-NE 2.91Å; E545-R547 IonicContact OE2-NH2 3.5Å; E545-R547 PolarHBondContact OE2-NH2 3.17Å
546	G	94.6	Very high	96.1	Very high	8 Å²	8	46.4 Å²	46.4	8%	0.082	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	15	-176.7	0	0	0	0	0	114.9	N542 L543 A544	N542-G546 PolarHBondContact O-N 3.26Å; L543-G546 WeakPolarHBondContact O-CA 3.39Å; L543-G546 PolarHBondContact O-N 3.32Å; A544-G546 VanDerWaalsContact C-N 3.25Å; A544-G546 PolarHBondContact O-N 3.05Å
547	R	96.6	Very high	96.1	Very high	56 Å²	56	46 Å²	46	21%	0.211	25%	0.248	C	C	.	.			trans	-83.5	135.3	176.2	-55.7	176.5	-169.7	-91.6	2.3	110.3	F497 N542 E545	F497-R547 HydrophobicContact CB-CG 4Å; F497-R547 VanDerWaalsContact O-CG 3.31Å; F497-R547 WeakPolarHBondContact O-CG 3.3Å; N542-R547 HydrophobicContact CB-CB 4.05Å; N542-R547 VanDerWaalsContact O-CB 3.3Å; N542-R547 WeakPolarHBondContact O-CB 3.19Å; N542-R547 PolarHBondContact O-N 3.32Å; E545-R547 HydrophobicContact CB-CG 4.24Å; E545-R547 IonicContact OE2-CZ 2.83Å; E545-R547 VanDerWaalsContact OE2-CZ 3.26Å; E545-R547 IonicContact OE2-NE 2.65Å; E545-R547 PolarHBondContact OE2-NE 2.91Å; E545-R547 IonicContact OE2-NH2 3.5Å; E545-R547 PolarHBondContact OE2-NH2 3.17Å
548	L	97.9	Very high	96.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-103.3	0.9	173.7	-60	-178.7	0	0	0	113.6	A332 A333 I336 F453 I478 A480	A332-L548 HydrophobicContact CB-CB 4.16Å; A332-L548 HydrophobicContact CB-CD2 4.15Å; A332-L548 VanDerWaalsContact CB-O 3.24Å; A332-L548 WeakPolarHBondContact CB-O 3.4Å; A333-L548 HydrophobicContact CB-CD1 4.46Å; A333-L548 HydrophobicContact CB-CD2 4.27Å; I336-L548 HydrophobicContact CD1-CD2 3.74Å; F453-L548 HydrophobicContact CE1-CD1 3.4Å; F453-L548 HydrophobicContact CZ-CD1 3.66Å; I478-L548 HydrophobicContact CG2-CD1 3.53Å; I478-L548 HydrophobicContact CG2-CD2 3.71Å; I478-L548 HydrophobicContact CG2-CG 4.08Å; A480-L548 HydrophobicContact CB-CD1 4.03Å
549	Y	97.7	Very high	96.1	Very high	3 Å²	3	44.2 Å²	44.2	1%	0.012	24%	0.239	C	C	.	.	S	Bend	trans	-137.1	152.9	-178.4	-55.9	-77.6	0	0	0	109.3	V325 A328 G329 A480 Q500 Y505 I534	V325-Y549 HydrophobicContact CG2-CD1 4.23Å; V325-Y549 HydrophobicContact CG2-CE1 3.59Å; V325-Y549 VanDerWaalsContact O-CE1 3.3Å; V325-Y549 WeakPolarHBondContact O-CE1 3.12Å; V325-Y549 PolarHBondContact O-OH 3.45Å; V325-Y549 VanDerWaalsContact O-OH 3.09Å; A328-Y549 HydrophobicContact CB-CE1 4.29Å; G329-Y549 WeakPolarHBondContact CA-OH 3.34Å; A480-Y549 HydrophobicContact CB-CE2 3.9Å; Q500-Y549 WeakPolarHBondContact O-CD2 3.5Å; Y505-Y549 HydrophobicContact CE2-CG 4.45Å; I534-Y549 HydrophobicContact CG2-CD1 4.15Å
550	P	96.3	Very high	96.2	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.019	23%	0.228	C	C	.	.			trans	-59.2	150.9	172.7	-21.6	33.9	0	0	0	111	Y505 M537 V538 L552 V558	Y505-P550 WeakPolarHBondContact CE1-O 3.24Å; Y505-P550 VanDerWaalsContact CZ-O 3.3Å; Y505-P550 PolarHBondContact OH-O 3.5Å; M537-P550 HydrophobicContact CB-CG 3.82Å; V538-P550 HydrophobicContact CG2-CG 4.25Å; P550-L552 PolarHBondContact O-N 2.79Å; P550-V558 HydrophobicContact CB-CG2 3.87Å; P550-V558 HydrophobicContact CG-CG2 3.96Å
551	P	93.9	Very high	96.3	Very high	34 Å²	34	41 Å²	41	22%	0.221	22%	0.218	C	C	.	.			trans	-53.9	138.7	175.1	-25.1	34.5	0	0	0	112.1	S553 T554	P551-S553 PolarHBondContact O-N 3.36Å; P551-T554 HydrophobicContact CB-CG2 4.46Å; P551-T554 WeakPolarHBondContact O-CB 3.13Å; P551-T554 PolarHBondContact O-N 2.8Å; P551-T554 PolarHBondContact O-OG1 2.99Å
552	L	91.6	Very high	96.4	Very high	19 Å²	19	34.5 Å²	34.5	10%	0.099	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-64.5	-29.7	-174.8	-177.9	68.9	0	0	0	112.2	I143 E144 M147 P550 T554 I555	I143-L552 HydrophobicContact CG2-CG 4.25Å; I143-L552 WeakPolarHBondContact CG2-O 3.35Å; E144-L552 HydrophobicContact CG-CB 3.73Å; E144-L552 HydrophobicContact CG-CD2 3.89Å; E144-L552 HydrophobicContact CG-CG 4.07Å; M147-L552 HydrophobicContact CE-CD1 3.98Å; M147-L552 HydrophobicContact CE-CD2 3.3Å; M147-L552 HydrophobicContact CE-CG 4.31Å; M147-L552 HydrophobicContact SD-CD1 3.96Å; M147-L552 HydrophobicContact SD-CD2 3.93Å; P550-L552 PolarHBondContact O-N 2.79Å; L552-T554 PolarHBondContact O-N 3.44Å; L552-I555 HydrophobicContact CD1-CB 4.06Å; L552-I555 HydrophobicContact CD1-CD1 4.15Å; L552-I555 HydrophobicContact CD1-CG1 4.1Å; L552-I555 HydrophobicContact CD1-CG2 4.47Å; L552-I555 WeakPolarHBondContact O-CB 3.36Å; L552-I555 VanDerWaalsContact O-CG2 3.26Å; L552-I555 WeakPolarHBondContact O-CG2 3.49Å; L552-I555 PolarHBondContact O-N 2.96Å
553	S	93.3	Very high	96.5	Very high	82 Å²	82	33.8 Å²	33.8	57%	0.573	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-51.8	-21.7	167.5	43.8	0	0	0	0	114.8	E144 P551	E144-S553 WeakPolarHBondContact OE1-CB 3.27Å; E144-S553 PolarHBondContact OE1-N 2.68Å; E144-S553 PolarHBondContact OE1-OG 3.36Å; P551-S553 PolarHBondContact O-N 3.36Å
554	T	96	Very high	96.6	Very high	47 Å²	47	33.7 Å²	33.7	29%	0.288	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-96.3	4.1	177.1	70.3	0	0	0	0	114	P551 L552 R556 E557 V558	P551-T554 HydrophobicContact CB-CG2 4.46Å; P551-T554 WeakPolarHBondContact O-CB 3.13Å; P551-T554 PolarHBondContact O-N 2.8Å; P551-T554 PolarHBondContact O-OG1 2.99Å; L552-T554 PolarHBondContact O-N 3.44Å; T554-R556 PolarHBondContact O-N 3.29Å; T554-E557 WeakPolarHBondContact O-CA 3.28Å; T554-E557 WeakPolarHBondContact O-CB 3.45Å; T554-E557 PolarHBondContact O-N 3.3Å; T554-V558 PolarHBondContact O-N 3.22Å
555	I	96.6	Very high	96.8	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-57	-30.2	-169.3	-163.3	64.7	0	0	0	114.8	I143 C229 Y505 L552 S559	I143-I555 HydrophobicContact CG1-CG2 4.14Å; I143-I555 HydrophobicContact CG2-CG2 4.16Å; C229-I555 HydrophobicContact CB-CG1 3.92Å; C229-I555 HydrophobicContact CB-CG2 4.04Å; Y505-I555 HydrophobicContact CD1-CD1 3.21Å; Y505-I555 HydrophobicContact CD2-CD1 4.48Å; Y505-I555 HydrophobicContact CE1-CD1 3.5Å; Y505-I555 VanDerWaalsContact CE1-CD1 3.5Å; Y505-I555 HydrophobicContact CG-CD1 3.76Å; L552-I555 HydrophobicContact CD1-CB 4.06Å; L552-I555 HydrophobicContact CD1-CD1 4.15Å; L552-I555 HydrophobicContact CD1-CG1 4.1Å; L552-I555 HydrophobicContact CD1-CG2 4.47Å; L552-I555 WeakPolarHBondContact O-CB 3.36Å; L552-I555 VanDerWaalsContact O-CG2 3.26Å; L552-I555 WeakPolarHBondContact O-CG2 3.49Å; L552-I555 PolarHBondContact O-N 2.96Å; I555-S559 WeakPolarHBondContact O-CB 3.31Å; I555-S559 PolarHBondContact O-N 3.38Å; I555-S559 PolarHBondContact O-OG 2.69Å
556	R	97	Very high	96.9	Very high	76 Å²	76	32.2 Å²	32.2	29%	0.287	16%	0.161	S	C	.	.	H	α-helix	trans	-69	-40.5	175.2	-71.6	-174.3	69.3	89	-3.8	112.4	T227 A228 C229 T554 S559 F560 Y594	T227-R556 PolarHBondContact O-NH1 2.83Å; A228-R556 VanDerWaalsContact O-CD 3.3Å; A228-R556 WeakPolarHBondContact O-CD 3.33Å; A228-R556 VanDerWaalsContact O-CG 3.22Å; A228-R556 WeakPolarHBondContact O-CG 3.49Å; A228-R556 PolarHBondContact O-NH1 3.08Å; C229-R556 VanDerWaalsContact O-CA 3.3Å; C229-R556 WeakPolarHBondContact O-CA 3.49Å; C229-R556 WeakPolarHBondContact O-CG 3.24Å; T554-R556 PolarHBondContact O-N 3.29Å; R556-S559 PolarHBondContact O-N 3.08Å; R556-F560 WeakPolarHBondContact O-CB 3.27Å; R556-F560 PolarHBondContact O-N 3.42Å; R556-Y594 PolarHBondContact NH2-O 2.78Å; R556-Y594 VanDerWaalsContact NH2-O 3.17Å
557	E	97.3	Very high	97.1	Very high	100 Å²	100	31.9 Å²	31.9	47%	0.467	16%	0.157	S	C	.	.	H	α-helix	trans	-68	-41.2	175	-170.6	-173.9	154.9	0	0	110.7	T554 F560 K561	T554-E557 WeakPolarHBondContact O-CA 3.28Å; T554-E557 WeakPolarHBondContact O-CB 3.45Å; T554-E557 PolarHBondContact O-N 3.3Å; E557-F560 PolarHBondContact O-N 3.41Å; E557-K561 HydrophobicContact CG-CD 4.32Å; E557-K561 WeakPolarHBondContact O-CG 3.28Å; E557-K561 PolarHBondContact O-N 3.22Å; E557-K561 WeakPolarHBondContact OE1-CE 3.38Å; E557-K561 IonicContact OE1-NZ 3.66Å; E557-K561 PolarHBondContact OE1-NZ 2.91Å
558	V	98.2	Very high	97.2	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	17%	0.165	C	C	.	.	H	α-helix	trans	-57.3	-50.4	173.4	170.9	0	0	0	0	110.6	Y505 I534 M537 P550 T554 F560 K561 I562	Y505-V558 HydrophobicContact CD1-CG1 4.18Å; I534-V558 HydrophobicContact CG1-CG1 4.46Å; M537-V558 HydrophobicContact CE-CB 4.15Å; M537-V558 HydrophobicContact CE-CG1 3.7Å; M537-V558 HydrophobicContact CE-CG2 4.29Å; M537-V558 HydrophobicContact SD-CB 4.29Å; M537-V558 HydrophobicContact SD-CG1 4.46Å; M537-V558 HydrophobicContact SD-CG2 4.01Å; P550-V558 HydrophobicContact CB-CG2 3.87Å; P550-V558 HydrophobicContact CG-CG2 3.96Å; T554-V558 PolarHBondContact O-N 3.22Å; V558-F560 VanDerWaalsContact C-N 3.34Å; V558-F560 PolarHBondContact O-N 3.43Å; V558-K561 PolarHBondContact O-N 3.35Å; V558-I562 HydrophobicContact CG1-CD1 3.69Å; V558-I562 HydrophobicContact CG1-CG1 4.47Å; V558-I562 VanDerWaalsContact O-CG1 3.28Å; V558-I562 WeakPolarHBondContact O-CG1 3.48Å; V558-I562 PolarHBondContact O-N 2.58Å
559	S	98.7	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-40.9	179.1	-60.4	0	0	0	0	112.3	C229 G509 I555 R556 I562 A563	C229-S559 VanDerWaalsContact O-CB 3.31Å; C229-S559 WeakPolarHBondContact O-CB 3.45Å; C229-S559 PolarHBondContact O-OG 3.02Å; G509-S559 WeakPolarHBondContact CA-O 3.24Å; I555-S559 WeakPolarHBondContact O-CB 3.31Å; I555-S559 PolarHBondContact O-N 3.38Å; I555-S559 PolarHBondContact O-OG 2.69Å; R556-S559 PolarHBondContact O-N 3.08Å; S559-I562 PolarHBondContact O-N 2.79Å; S559-A563 WeakPolarHBondContact O-CB 3.31Å; S559-A563 PolarHBondContact O-N 3.31Å
560	F	98.6	Very high	97.2	Very high	40 Å²	40	34.6 Å²	34.6	18%	0.175	17%	0.173	C	C	.	.	H	α-helix	trans	-60.4	-48.7	174.4	168.6	-110.1	0	0	0	112	R556 E557 V558 I562 A563 V564 E586 V589 L590 I593	R556-F560 WeakPolarHBondContact O-CB 3.27Å; R556-F560 PolarHBondContact O-N 3.42Å; E557-F560 PolarHBondContact O-N 3.41Å; V558-F560 VanDerWaalsContact C-N 3.34Å; V558-F560 PolarHBondContact O-N 3.43Å; F560-I562 VanDerWaalsContact C-N 3.35Å; F560-I562 PolarHBondContact O-N 2.62Å; F560-A563 WeakPolarHBondContact O-CB 3.39Å; F560-A563 PolarHBondContact O-N 3.1Å; F560-V564 HydrophobicContact CD2-CG2 4.23Å; F560-V564 HydrophobicContact CE1-CG2 4.4Å; F560-V564 HydrophobicContact CE2-CG2 3.82Å; F560-V564 HydrophobicContact CZ-CG2 3.91Å; F560-V564 WeakPolarHBondContact O-CG2 3.32Å; F560-V564 PolarHBondContact O-N 2.9Å; F560-E586 HydrophobicContact CZ-CB 4.07Å; F560-E586 HydrophobicContact CZ-CG 4.37Å; F560-V589 HydrophobicContact CD2-CB 4.39Å; F560-V589 HydrophobicContact CD2-CG1 3.74Å; F560-V589 HydrophobicContact CE2-CB 4.06Å; F560-V589 HydrophobicContact CE2-CG1 3.93Å; F560-L590 HydrophobicContact CE2-CB 4.05Å; F560-I593 HydrophobicContact CB-CD1 4.31Å; F560-I593 HydrophobicContact CD2-CD1 3.78Å; F560-I593 HydrophobicContact CG-CD1 4.4Å
561	K	98.6	Very high	97.2	Very high	87 Å²	87	35.2 Å²	35.2	38%	0.378	18%	0.175	S	C	.	.	H	α-helix	trans	-63.6	-39.7	178.9	-76.6	173	169.9	168.8	0	112.1	M537 E557 V558 V564 K565	M537-K561 HydrophobicContact CE-CB 4.06Å; M537-K561 HydrophobicContact CG-CD 4.17Å; M537-K561 HydrophobicContact SD-CB 3.76Å; M537-K561 HydrophobicContact SD-CD 3.3Å; M537-K561 WeakPolarHBondContact SD-CD 3.42Å; M537-K561 HydrophobicContact SD-CG 4.15Å; E557-K561 HydrophobicContact CG-CD 4.32Å; E557-K561 WeakPolarHBondContact O-CG 3.28Å; E557-K561 PolarHBondContact O-N 3.22Å; E557-K561 WeakPolarHBondContact OE1-CE 3.38Å; E557-K561 IonicContact OE1-NZ 3.66Å; E557-K561 PolarHBondContact OE1-NZ 2.91Å; V558-K561 PolarHBondContact O-N 3.35Å; K561-V564 PolarHBondContact O-N 2.62Å; K561-K565 VanDerWaalsContact O-CG 3.31Å; K561-K565 WeakPolarHBondContact O-CG 2.89Å; K561-K565 PolarHBondContact O-N 3.13Å
562	I	98.8	Very high	97.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.4	-50.3	172.3	-68.8	163.6	0	0	0	110	Y505 V510 T530 A533 I534 M537 V558 S559 F560 V564 K565 V566	Y505-I562 WeakPolarHBondContact O-CD1 3.3Å; V510-I562 HydrophobicContact CG2-CG2 4.33Å; T530-I562 HydrophobicContact CG2-CD1 3.96Å; T530-I562 HydrophobicContact CG2-CG1 4.15Å; T530-I562 HydrophobicContact CG2-CG2 3.67Å; A533-I562 HydrophobicContact CB-CG1 4.32Å; I534-I562 HydrophobicContact CD1-CD1 4.14Å; I534-I562 HydrophobicContact CG1-CD1 3.72Å; I534-I562 HydrophobicContact CG1-CG1 4.38Å; M537-I562 HydrophobicContact CE-CG1 4.21Å; V558-I562 HydrophobicContact CG1-CD1 3.69Å; V558-I562 HydrophobicContact CG1-CG1 4.47Å; V558-I562 VanDerWaalsContact O-CG1 3.28Å; V558-I562 WeakPolarHBondContact O-CG1 3.48Å; V558-I562 PolarHBondContact O-N 2.58Å; S559-I562 PolarHBondContact O-N 2.79Å; F560-I562 VanDerWaalsContact C-N 3.35Å; F560-I562 PolarHBondContact O-N 2.62Å; I562-V564 VanDerWaalsContact C-N 3.3Å; I562-V564 PolarHBondContact O-N 3.44Å; I562-K565 CarbonylContact O-C 3.57Å; I562-K565 WeakPolarHBondContact O-CA 3.46Å; I562-K565 WeakPolarHBondContact O-CB 3.22Å; I562-K565 PolarHBondContact O-N 2.8Å; I562-V566 HydrophobicContact CG2-CG2 4.17Å; I562-V566 WeakPolarHBondContact O-CG2 2.93Å; I562-V566 PolarHBondContact O-N 3.41Å
563	A	98.8	Very high	97.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.4	-43.3	180	0	0	0	0	0	111.9	L512 S559 F560 K565 V566 V567 V589	L512-A563 HydrophobicContact CB-CB 3.91Å; L512-A563 HydrophobicContact CD2-CB 3.54Å; L512-A563 HydrophobicContact CG-CB 3.68Å; S559-A563 WeakPolarHBondContact O-CB 3.31Å; S559-A563 PolarHBondContact O-N 3.31Å; F560-A563 WeakPolarHBondContact O-CB 3.39Å; F560-A563 PolarHBondContact O-N 3.1Å; A563-K565 PolarHBondContact O-N 2.94Å; A563-V566 PolarHBondContact O-N 3.31Å; A563-V567 WeakPolarHBondContact O-CB 3.21Å; A563-V567 VanDerWaalsContact O-CG2 3.24Å; A563-V567 WeakPolarHBondContact O-CG2 3.18Å; A563-V567 PolarHBondContact O-N 3.43Å; A563-V589 HydrophobicContact CB-CG1 3.86Å
564	V	98.7	Very high	97.7	Very high	12 Å²	12	45.3 Å²	45.3	7%	0.073	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-42.1	174.6	171.9	0	0	0	0	111.6	F560 K561 I562 V567 N568 E586 V589	F560-V564 HydrophobicContact CD2-CG2 4.23Å; F560-V564 HydrophobicContact CE1-CG2 4.4Å; F560-V564 HydrophobicContact CE2-CG2 3.82Å; F560-V564 HydrophobicContact CZ-CG2 3.91Å; F560-V564 WeakPolarHBondContact O-CG2 3.32Å; F560-V564 PolarHBondContact O-N 2.9Å; K561-V564 PolarHBondContact O-N 2.62Å; I562-V564 VanDerWaalsContact C-N 3.3Å; I562-V564 PolarHBondContact O-N 3.44Å; V564-V567 PolarHBondContact O-N 2.86Å; V564-N568 WeakPolarHBondContact CG1-ND2 3.42Å; V564-N568 WeakPolarHBondContact O-CB 3.07Å; V564-N568 PolarHBondContact O-N 2.83Å; V564-N568 PolarHBondContact O-ND2 3.22Å; V564-E586 HydrophobicContact CG1-CG 3.89Å; V564-E586 HydrophobicContact CG2-CG 4.05Å; V564-V589 HydrophobicContact CG2-CB 4.13Å; V564-V589 HydrophobicContact CG2-CG1 4.39Å; V564-V589 HydrophobicContact CG2-CG2 4.11Å
565	K	98.3	Very high	97.7	Very high	105 Å²	105	45.5 Å²	45.5	46%	0.457	22%	0.219	S	C	.	.	H	α-helix	trans	-64	-42.8	175.7	-71.9	-79.7	-175.7	166.3	0	111.9	T529 A533 K561 I562 A563 N568 Y569	T529-K565 HydrophobicContact CG2-CB 4.31Å; A533-K565 HydrophobicContact CB-CG 4.18Å; K561-K565 VanDerWaalsContact O-CG 3.31Å; K561-K565 WeakPolarHBondContact O-CG 2.89Å; K561-K565 PolarHBondContact O-N 3.13Å; I562-K565 CarbonylContact O-C 3.57Å; I562-K565 WeakPolarHBondContact O-CA 3.46Å; I562-K565 WeakPolarHBondContact O-CB 3.22Å; I562-K565 PolarHBondContact O-N 2.8Å; A563-K565 PolarHBondContact O-N 2.94Å; K565-N568 PolarHBondContact O-N 2.85Å; K565-Y569 WeakPolarHBondContact O-CB 3.46Å; K565-Y569 PolarHBondContact O-N 3.47Å
566	V	98.4	Very high	97.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-45.1	176	173	0	0	0	0	110.9	V514 I526 I562 A563 N568 Y569 A570	V514-V566 HydrophobicContact CG2-CG1 4.35Å; I526-V566 HydrophobicContact CG2-CG1 4.37Å; I526-V566 HydrophobicContact CG2-CG2 4.03Å; I562-V566 HydrophobicContact CG2-CG2 4.17Å; I562-V566 WeakPolarHBondContact O-CG2 2.93Å; I562-V566 PolarHBondContact O-N 3.41Å; A563-V566 PolarHBondContact O-N 3.31Å; V566-N568 PolarHBondContact O-N 3.29Å; V566-Y569 PolarHBondContact O-N 2.95Å; V566-A570 VanDerWaalsContact O-CB 3.27Å; V566-A570 WeakPolarHBondContact O-CB 3.42Å; V566-A570 PolarHBondContact O-N 3.45Å
567	V	98.6	Very high	97.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-45.9	176.2	171	0	0	0	0	111.1	A516 C517 A563 V564 A570 Y571 K585 V589	A516-V567 HydrophobicContact CB-CG2 4.32Å; C517-V567 HydrophobicContact CB-CG1 4.25Å; C517-V567 HydrophobicContact CB-CG2 4.02Å; A563-V567 WeakPolarHBondContact O-CB 3.21Å; A563-V567 VanDerWaalsContact O-CG2 3.24Å; A563-V567 WeakPolarHBondContact O-CG2 3.18Å; A563-V567 PolarHBondContact O-N 3.43Å; V564-V567 PolarHBondContact O-N 2.86Å; V567-A570 PolarHBondContact O-N 3.09Å; V567-Y571 HydrophobicContact CG1-CD2 3.8Å; V567-Y571 HydrophobicContact CG1-CE2 3.67Å; V567-Y571 VanDerWaalsContact O-CD2 3.26Å; V567-Y571 WeakPolarHBondContact O-CD2 3.35Å; V567-Y571 PolarHBondContact O-N 2.85Å; V567-Y571 VanDerWaalsContact O-N 3.1Å; V567-K585 HydrophobicContact CG1-CB 4.26Å; V567-K585 HydrophobicContact CG1-CD 4.08Å; V567-K585 HydrophobicContact CG1-CG 3.97Å; V567-V589 HydrophobicContact CG2-CG2 3.83Å
568	N	98.2	Very high	97.7	Very high	71 Å²	71	41.3 Å²	41.3	38%	0.38	21%	0.21	S	C	.	.	H	α-helix	trans	-59.4	-47.2	175.2	-82.1	-59.2	0	0	0	112.1	V564 K565 V566 A570 K572 K585	V564-N568 WeakPolarHBondContact CG1-ND2 3.42Å; V564-N568 WeakPolarHBondContact O-CB 3.07Å; V564-N568 PolarHBondContact O-N 2.83Å; V564-N568 PolarHBondContact O-ND2 3.22Å; K565-N568 PolarHBondContact O-N 2.85Å; V566-N568 PolarHBondContact O-N 3.29Å; N568-A570 VanDerWaalsContact C-N 3.3Å; N568-A570 PolarHBondContact O-N 3.05Å; N568-K572 VanDerWaalsContact O-CB 3.29Å; N568-K572 WeakPolarHBondContact O-CB 3.47Å; N568-K572 PolarHBondContact O-N 2.98Å; N568-K585 WeakPolarHBondContact OD1-CD 3.31Å
569	Y	97.3	Very high	97.6	Very high	45 Å²	45	48.3 Å²	48.3	18%	0.176	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-42.8	176.4	178.7	-86.2	0	0	0	111.1	D525 I526 K565 V566 K572 N573 I575	D525-Y569 HydrophobicContact CB-CE1 4.31Å; D525-Y569 HydrophobicContact CB-CE2 3.91Å; D525-Y569 WeakPolarHBondContact CB-OH 3.16Å; I526-Y569 HydrophobicContact CG1-CD1 3.99Å; I526-Y569 HydrophobicContact CG1-CE1 4.06Å; K565-Y569 WeakPolarHBondContact O-CB 3.46Å; K565-Y569 PolarHBondContact O-N 3.47Å; V566-Y569 PolarHBondContact O-N 2.95Å; Y569-K572 PolarHBondContact O-N 3.2Å; Y569-N573 VanDerWaalsContact CD2-ND2 3.31Å; Y569-N573 WeakPolarHBondContact CD2-ND2 3.48Å; Y569-N573 HydrophobicContact CE1-CB 4.36Å; Y569-N573 WeakPolarHBondContact CE2-ND2 3.48Å; Y569-N573 VanDerWaalsContact CZ-ND2 3.32Å; Y569-N573 WeakPolarHBondContact O-CB 3.43Å; Y569-N573 PolarHBondContact O-N 3.23Å; Y569-N573 PolarHBondContact O-ND2 2.85Å; Y569-I575 HydrophobicContact CD1-CD1 4.09Å; Y569-I575 HydrophobicContact CE1-CD1 3.86Å
570	A	97.4	Very high	97.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.4	-44.2	-175.9	0	0	0	0	0	112.9	C517 V519 V566 V567 N568 S574 I575 A576	C517-A570 VanDerWaalsContact SG-CB 3.54Å; V519-A570 HydrophobicContact CG2-CB 3.88Å; V566-A570 VanDerWaalsContact O-CB 3.27Å; V566-A570 WeakPolarHBondContact O-CB 3.42Å; V566-A570 PolarHBondContact O-N 3.45Å; V567-A570 PolarHBondContact O-N 3.09Å; N568-A570 VanDerWaalsContact C-N 3.3Å; N568-A570 PolarHBondContact O-N 3.05Å; A570-S574 PolarHBondContact O-N 3.03Å; A570-S574 VanDerWaalsContact O-N 3.12Å; A570-I575 VanDerWaalsContact CA-CG1 3.47Å; A570-I575 HydrophobicContact CB-CD1 4.34Å; A570-I575 HydrophobicContact CB-CG1 3.84Å; A570-I575 WeakPolarHBondContact O-CG1 3.31Å; A570-I575 PolarHBondContact O-N 2.96Å; A570-A576 HydrophobicContact CB-CB 3.98Å; A570-A576 PolarHBondContact O-N 2.86Å
571	Y	97.7	Very high	97.5	Very high	17 Å²	17	56.5 Å²	56.5	7%	0.067	29%	0.286	C	S	.	.	H	α-helix	trans	-68.2	-44	174.7	-76.9	-70.9	0	0	0	111.8	C517 V567 N573 S574 A576 V578 Y579 E581 P582	C517-Y571 HydrophobicContact CB-CE2 4.05Å; V567-Y571 HydrophobicContact CG1-CD2 3.8Å; V567-Y571 HydrophobicContact CG1-CE2 3.67Å; V567-Y571 VanDerWaalsContact O-CD2 3.26Å; V567-Y571 WeakPolarHBondContact O-CD2 3.35Å; V567-Y571 PolarHBondContact O-N 2.85Å; V567-Y571 VanDerWaalsContact O-N 3.1Å; Y571-N573 PolarHBondContact O-N 2.95Å; Y571-S574 PolarHBondContact O-N 3.4Å; Y571-S574 VanDerWaalsContact O-N 3.08Å; Y571-A576 HydrophobicContact CD1-CB 3.76Å; Y571-A576 HydrophobicContact CD2-CB 4.32Å; Y571-A576 HydrophobicContact CE1-CB 3.72Å; Y571-A576 HydrophobicContact CE2-CB 4.3Å; Y571-A576 HydrophobicContact CG-CB 4.06Å; Y571-V578 WeakPolarHBondContact CE1-O 3.45Å; Y571-V578 PolarHBondContact OH-O 3.1Å; Y571-Y579 HydrophobicContact CE1-CE1 4.46Å; Y571-E581 HydrophobicContact CD1-CB 3.8Å; Y571-E581 HydrophobicContact CD1-CG 3.57Å; Y571-E581 HydrophobicContact CD2-CG 4.01Å; Y571-E581 HydrophobicContact CE1-CB 3.63Å; Y571-E581 HydrophobicContact CE1-CG 3.73Å; Y571-E581 HydrophobicContact CE2-CG 4.14Å; Y571-E581 HydrophobicContact CG-CB 4.47Å; Y571-E581 HydrophobicContact CG-CG 3.74Å; Y571-P582 HydrophobicContact CE2-CG 4.18Å; Y571-P582 VanDerWaalsContact CZ-CD 3.48Å; Y571-P582 WeakPolarHBondContact OH-CD 3.32Å
572	K	96.9	Very high	97.5	Very high	177 Å²	177	53.2 Å²	53.2	77%	0.77	27%	0.274	S	S	*	.	H	α-helix	trans	-57.7	-37.7	178.7	-177.9	179.8	176.4	-175.9	0	112.7	N568 Y569	N568-K572 VanDerWaalsContact O-CB 3.29Å; N568-K572 WeakPolarHBondContact O-CB 3.47Å; N568-K572 PolarHBondContact O-N 2.98Å; Y569-K572 PolarHBondContact O-N 3.2Å
573	N	95.9	Very high	97.4	Very high	72 Å²	72	63.6 Å²	63.6	39%	0.385	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	10.5	-179	-63	-79.5	0	0	0	113.1	Y569 Y571 I575	Y569-N573 VanDerWaalsContact CD2-ND2 3.31Å; Y569-N573 WeakPolarHBondContact CD2-ND2 3.48Å; Y569-N573 HydrophobicContact CE1-CB 4.36Å; Y569-N573 WeakPolarHBondContact CE2-ND2 3.48Å; Y569-N573 VanDerWaalsContact CZ-ND2 3.32Å; Y569-N573 WeakPolarHBondContact O-CB 3.43Å; Y569-N573 PolarHBondContact O-N 3.23Å; Y569-N573 PolarHBondContact O-ND2 2.85Å; Y571-N573 PolarHBondContact O-N 2.95Å; N573-I575 VanDerWaalsContact C-N 3.26Å; N573-I575 PolarHBondContact O-N 3.15Å
574	S	95.7	Very high	97.4	Very high	97 Å²	97	68 Å²	68	68%	0.678	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	34	177.6	-55.2	0	0	0	0	114.7	A570 Y571	A570-S574 PolarHBondContact O-N 3.03Å; A570-S574 VanDerWaalsContact O-N 3.12Å; Y571-S574 PolarHBondContact O-N 3.4Å; Y571-S574 VanDerWaalsContact O-N 3.08Å
575	I	95.4	Very high	97.3	Very high	52 Å²	52	69 Å²	69	27%	0.267	35%	0.346	S	S	.	.			trans	-105.6	-5.1	176.4	63.2	169.6	0	0	0	113.6	V519 I526 Y569 A570 N573	V519-I575 HydrophobicContact CG1-CD1 4.33Å; I526-I575 HydrophobicContact CD1-CD1 4.17Å; Y569-I575 HydrophobicContact CD1-CD1 4.09Å; Y569-I575 HydrophobicContact CE1-CD1 3.86Å; A570-I575 VanDerWaalsContact CA-CG1 3.47Å; A570-I575 HydrophobicContact CB-CD1 4.34Å; A570-I575 HydrophobicContact CB-CG1 3.84Å; A570-I575 WeakPolarHBondContact O-CG1 3.31Å; A570-I575 PolarHBondContact O-N 2.96Å; N573-I575 VanDerWaalsContact C-N 3.26Å; N573-I575 PolarHBondContact O-N 3.15Å
576	A	97.3	Very high	97.3	Very high	8 Å²	8	69.5 Å²	69.5	7%	0.066	35%	0.35	C	S	.	.			trans	-75.2	149.4	171	0	0	0	0	0	111.8	C517 A570 Y571 Y579	C517-A576 HydrophobicContact CB-CB 4.05Å; A570-A576 HydrophobicContact CB-CB 3.98Å; A570-A576 PolarHBondContact O-N 2.86Å; Y571-A576 HydrophobicContact CD1-CB 3.76Å; Y571-A576 HydrophobicContact CD2-CB 4.32Å; Y571-A576 HydrophobicContact CE1-CB 3.72Å; Y571-A576 HydrophobicContact CE2-CB 4.3Å; Y571-A576 HydrophobicContact CG-CB 4.06Å; A576-Y579 WeakPolarHBondContact O-CE2 3.4Å; A576-Y579 PolarHBondContact O-OH 3.23Å
577	S	97.1	Very high	97.3	Very high	29 Å²	29	71.8 Å²	71.8	20%	0.203	37%	0.369	C	S	.	.			trans	-125.9	-4.7	179.2	72.2	0	0	0	0	115.4	N288 C517 G518 Y579	N288-S577 PolarHBondContact ND2-OG 3.33Å; N288-S577 PolarHBondContact OD1-OG 3.47Å; C517-S577 PolarHBondContact O-N 3.19Å; G518-S577 VanDerWaalsContact O-CB 3.27Å; G518-S577 WeakPolarHBondContact O-CB 3.47Å; G518-S577 PolarHBondContact O-N 2.99Å; G518-S577 PolarHBondContact O-OG 2.72Å; S577-Y579 WeakPolarHBondContact O-CD2 3.49Å
578	V	97.5	Very high	97.3	Very high	51 Å²	51	73.8 Å²	73.8	31%	0.309	38%	0.378	S	S	.	.	S	Bend	trans	-78.6	127	168.2	176.4	0	0	0	0	108.7	C517 Y571 F588	C517-V578 PolarHBondContact O-N 2.95Å; C517-V578 VanDerWaalsContact O-N 3.13Å; Y571-V578 WeakPolarHBondContact CE1-O 3.45Å; Y571-V578 PolarHBondContact OH-O 3.1Å; V578-F588 HydrophobicContact CG1-CZ 4.12Å
579	Y	96.5	Very high	97.3	Very high	150 Å²	150	70.4 Å²	70.4	59%	0.588	36%	0.36	S	S	*	.	S	Bend	trans	-137.8	149.8	179.2	-76.1	-84.2	0	0	0	111.5	Y571 A576 S577	Y571-Y579 HydrophobicContact CE1-CE1 4.46Å; A576-Y579 WeakPolarHBondContact O-CE2 3.4Å; A576-Y579 PolarHBondContact O-OH 3.23Å; S577-Y579 WeakPolarHBondContact O-CD2 3.49Å
580	P	97.1	Very high	97.3	Very high	118 Å²	118	73.2 Å²	73.2	77%	0.766	38%	0.377	S	S	*	.	S	Bend	cis	-70	157.9	-0.7	30.9	-36.3	0	0	0	113.1
581	E	98.2	Very high	97.2	Very high	94 Å²	94	77.7 Å²	77.7	44%	0.439	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-57.1	128.1	174.7	178.5	176.9	-179.6	0	0	110	Y571 K583 K585	Y571-E581 HydrophobicContact CD1-CB 3.8Å; Y571-E581 HydrophobicContact CD1-CG 3.57Å; Y571-E581 HydrophobicContact CD2-CG 4.01Å; Y571-E581 HydrophobicContact CE1-CB 3.63Å; Y571-E581 HydrophobicContact CE1-CG 3.73Å; Y571-E581 HydrophobicContact CE2-CG 4.14Å; Y571-E581 HydrophobicContact CG-CB 4.47Å; Y571-E581 HydrophobicContact CG-CG 3.74Å; E581-K583 PolarHBondContact O-N 3.39Å; E581-K585 WeakPolarHBondContact OE1-CE 3.46Å; E581-K585 IonicContact OE1-NZ 3.26Å; E581-K585 PolarHBondContact OE1-NZ 2.88Å
582	P	97.8	Very high	97.2	Very high	19 Å²	19	79.8 Å²	79.8	12%	0.123	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-67.1	132.8	-179.7	26.9	-33.7	0	0	0	110.4	Y571 D584 K585 F588	Y571-P582 HydrophobicContact CE2-CG 4.18Å; Y571-P582 VanDerWaalsContact CZ-CD 3.48Å; Y571-P582 WeakPolarHBondContact OH-CD 3.32Å; P582-D584 VanDerWaalsContact C-N 3.32Å; P582-D584 PolarHBondContact O-N 3.47Å; P582-K585 HydrophobicContact CG-CG 4.01Å; P582-F588 HydrophobicContact CB-CB 3.71Å; P582-F588 HydrophobicContact CB-CD1 4.28Å; P582-F588 HydrophobicContact CB-CD2 4.07Å; P582-F588 HydrophobicContact CB-CG 3.77Å; P582-F588 HydrophobicContact CG-CB 3.99Å; P582-F588 HydrophobicContact CG-CD1 3.7Å; P582-F588 HydrophobicContact CG-CD2 4.26Å; P582-F588 HydrophobicContact CG-CE1 4.15Å; P582-F588 HydrophobicContact CG-CG 3.72Å
583	K	96.9	Very high	97.1	Very high	218 Å²	218	73.4 Å²	73.4	95%	0.948	39%	0.392	S	S	*	.	S	Bend	trans	-61.1	-43.1	176.5	-66.2	-176.1	179.6	-179.7	0	111.6	E581	E581-K583 PolarHBondContact O-N 3.39Å
584	D	98	Very high	97.2	Very high	93 Å²	93	70.9 Å²	70.9	50%	0.497	38%	0.378	S	S	.	.			trans	-113.8	103.5	175.1	-174.6	-18.7	0	0	0	109	P582 E586 A587 F588	P582-D584 VanDerWaalsContact C-N 3.32Å; P582-D584 PolarHBondContact O-N 3.47Å; D584-E586 PolarHBondContact OD1-N 2.84Å; D584-A587 HydrophobicContact CB-CB 4.01Å; D584-A587 VanDerWaalsContact CG-CB 3.45Å; D584-A587 PolarHBondContact OD1-N 2.9Å; D584-A587 WeakPolarHBondContact OD2-CB 3.48Å; D584-F588 WeakPolarHBondContact O-CB 3.47Å; D584-F588 PolarHBondContact O-N 3.35Å
585	K	97.9	Very high	97.2	Very high	32 Å²	32	68.6 Å²	68.6	14%	0.139	36%	0.362	C	S	.	.	H	α-helix	trans	-73.8	-28.9	-178.5	-71.5	166.9	-178	67.8	0	112.3	V567 N568 E581 P582 V589	V567-K585 HydrophobicContact CG1-CB 4.26Å; V567-K585 HydrophobicContact CG1-CD 4.08Å; V567-K585 HydrophobicContact CG1-CG 3.97Å; N568-K585 WeakPolarHBondContact OD1-CD 3.31Å; E581-K585 WeakPolarHBondContact OE1-CE 3.46Å; E581-K585 IonicContact OE1-NZ 3.26Å; E581-K585 PolarHBondContact OE1-NZ 2.88Å; P582-K585 HydrophobicContact CG-CG 4.01Å; K585-V589 VanDerWaalsContact O-CG2 3.28Å; K585-V589 WeakPolarHBondContact O-CG2 3.44Å; K585-V589 PolarHBondContact O-N 3.07Å
586	E	98.1	Very high	97.3	Very high	115 Å²	115	67.2 Å²	67.2	54%	0.537	36%	0.356	S	S	.	.	H	α-helix	trans	-70.1	-50.9	177.5	-71.5	-174	-167.4	0	0	110.1	F560 V564 D584 F588 V589 L590	F560-E586 HydrophobicContact CZ-CB 4.07Å; F560-E586 HydrophobicContact CZ-CG 4.37Å; V564-E586 HydrophobicContact CG1-CG 3.89Å; V564-E586 HydrophobicContact CG2-CG 4.05Å; D584-E586 PolarHBondContact OD1-N 2.84Å; E586-F588 VanDerWaalsContact C-N 3.27Å; E586-F588 PolarHBondContact O-N 3.21Å; E586-V589 PolarHBondContact O-N 3.44Å; E586-L590 VanDerWaalsContact O-CB 3.26Å; E586-L590 WeakPolarHBondContact O-CB 3.38Å; E586-L590 PolarHBondContact O-N 3.42Å
587	A	97.9	Very high	97.2	Very high	49 Å²	49	70.6 Å²	70.6	41%	0.405	37%	0.373	S	S	.	.	H	α-helix	trans	-60.9	-38.3	175.3	0	0	0	0	0	111.9	D584 L590 S591	D584-A587 HydrophobicContact CB-CB 4.01Å; D584-A587 VanDerWaalsContact CG-CB 3.45Å; D584-A587 PolarHBondContact OD1-N 2.9Å; D584-A587 WeakPolarHBondContact OD2-CB 3.48Å; A587-L590 PolarHBondContact O-N 3.17Å; A587-S591 WeakPolarHBondContact O-CB 3.49Å; A587-S591 PolarHBondContact O-N 3Å
588	F	98.3	Very high	97.2	Very high	43 Å²	43	70.7 Å²	70.7	19%	0.189	37%	0.369	C	S	.	.	H	α-helix	trans	-61.3	-51.5	175.9	172.5	-109.3	0	0	0	112.5	A516 V578 P582 D584 E586 L590 S591	A516-F588 HydrophobicContact CB-CE1 4.23Å; A516-F588 VanDerWaalsContact O-CE1 3.25Å; A516-F588 WeakPolarHBondContact O-CE1 3.42Å; A516-F588 WeakPolarHBondContact O-CZ 3.39Å; V578-F588 HydrophobicContact CG1-CZ 4.12Å; P582-F588 HydrophobicContact CB-CB 3.71Å; P582-F588 HydrophobicContact CB-CD1 4.28Å; P582-F588 HydrophobicContact CB-CD2 4.07Å; P582-F588 HydrophobicContact CB-CG 3.77Å; P582-F588 HydrophobicContact CG-CB 3.99Å; P582-F588 HydrophobicContact CG-CD1 3.7Å; P582-F588 HydrophobicContact CG-CD2 4.26Å; P582-F588 HydrophobicContact CG-CE1 4.15Å; P582-F588 HydrophobicContact CG-CG 3.72Å; D584-F588 WeakPolarHBondContact O-CB 3.47Å; D584-F588 PolarHBondContact O-N 3.35Å; E586-F588 VanDerWaalsContact C-N 3.27Å; E586-F588 PolarHBondContact O-N 3.21Å; F588-L590 VanDerWaalsContact C-N 3.34Å; F588-L590 PolarHBondContact O-N 2.96Å; F588-S591 PolarHBondContact O-N 3.11Å; F588-S591 PolarHBondContact O-OG 3.06Å
589	V	98.1	Very high	97.1	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-62.7	-44.6	177.6	173	0	0	0	0	110.1	L512 F560 A563 V564 V567 K585 E586 S591 Q592 I593	L512-V589 HydrophobicContact CD2-CG1 3.71Å; L512-V589 HydrophobicContact CG-CG1 4.2Å; F560-V589 HydrophobicContact CD2-CB 4.39Å; F560-V589 HydrophobicContact CD2-CG1 3.74Å; F560-V589 HydrophobicContact CE2-CB 4.06Å; F560-V589 HydrophobicContact CE2-CG1 3.93Å; A563-V589 HydrophobicContact CB-CG1 3.86Å; V564-V589 HydrophobicContact CG2-CB 4.13Å; V564-V589 HydrophobicContact CG2-CG1 4.39Å; V564-V589 HydrophobicContact CG2-CG2 4.11Å; V567-V589 HydrophobicContact CG2-CG2 3.83Å; K585-V589 VanDerWaalsContact O-CG2 3.28Å; K585-V589 WeakPolarHBondContact O-CG2 3.44Å; K585-V589 PolarHBondContact O-N 3.07Å; E586-V589 PolarHBondContact O-N 3.44Å; V589-S591 VanDerWaalsContact C-N 3.26Å; V589-S591 PolarHBondContact O-N 2.99Å; V589-Q592 PolarHBondContact O-N 3.47Å; V589-I593 PolarHBondContact O-N 3.36Å
590	L	97.3	Very high	96.9	Very high	104 Å²	104	64.3 Å²	64.3	55%	0.545	35%	0.345	S	S	.	.	H	α-helix	trans	-58.4	-37.9	179.7	-175.6	62.3	0	0	0	112.2	F560 E586 A587 F588 Q592 I593	F560-L590 HydrophobicContact CE2-CB 4.05Å; E586-L590 VanDerWaalsContact O-CB 3.26Å; E586-L590 WeakPolarHBondContact O-CB 3.38Å; E586-L590 PolarHBondContact O-N 3.42Å; A587-L590 PolarHBondContact O-N 3.17Å; F588-L590 VanDerWaalsContact C-N 3.34Å; F588-L590 PolarHBondContact O-N 2.96Å; L590-Q592 PolarHBondContact O-N 3.28Å; L590-I593 HydrophobicContact CD1-CD1 4.21Å; L590-I593 PolarHBondContact O-N 3.39Å
591	S	96.3	Very high	96.7	Very high	93 Å²	93	59.5 Å²	59.5	65%	0.65	31%	0.312	S	S	*	.	H	α-helix	trans	-65.9	-16.3	178.2	75.3	0	0	0	0	114.5	A587 F588 V589	A587-S591 WeakPolarHBondContact O-CB 3.49Å; A587-S591 PolarHBondContact O-N 3Å; F588-S591 PolarHBondContact O-N 3.11Å; F588-S591 PolarHBondContact O-OG 3.06Å; V589-S591 VanDerWaalsContact C-N 3.26Å; V589-S591 PolarHBondContact O-N 2.99Å
592	Q	96.1	Very high	96.4	Very high	62 Å²	62	56.8 Å²	56.8	29%	0.29	30%	0.302	S	S	.	.	H	α-helix	trans	-99.9	-8.7	179.9	-62.2	-172.3	53.3	0	0	113.3	A516 V589 L590 Y594	A516-Q592 PolarHBondContact O-NE2 3.42Å; V589-Q592 PolarHBondContact O-N 3.47Å; L590-Q592 PolarHBondContact O-N 3.28Å; Q592-Y594 PolarHBondContact O-N 3.03Å
593	I	96.8	Very high	95.9	Very high	42 Å²	42	61.1 Å²	61.1	22%	0.215	32%	0.324	C	S	.	.	S	Bend	trans	-70.7	129	-179.1	-70.1	-178.2	0	0	0	110.1	L512 F560 V589 L590 S595	L512-I593 HydrophobicContact CD1-CG1 4.43Å; L512-I593 HydrophobicContact CD2-CD1 4.14Å; L512-I593 HydrophobicContact CD2-CG1 3.96Å; F560-I593 HydrophobicContact CB-CD1 4.31Å; F560-I593 HydrophobicContact CD2-CD1 3.78Å; F560-I593 HydrophobicContact CG-CD1 4.4Å; V589-I593 PolarHBondContact O-N 3.36Å; L590-I593 HydrophobicContact CD1-CD1 4.21Å; L590-I593 PolarHBondContact O-N 3.39Å; I593-S595 PolarHBondContact O-N 2.8Å
594	Y	97.4	Very high	95.4	Very high	19 Å²	19	57.3 Å²	57.3	8%	0.075	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-59.7	127	172.6	177.1	-102	0	0	0	111.9	K133 Y136 T227 G231 P234 R556 Q592 P596	K133-Y594 HydrophobicContact CD-CE2 4.38Å; K133-Y594 VanDerWaalsContact CD-OH 3.27Å; K133-Y594 WeakPolarHBondContact CD-OH 3.24Å; Y136-Y594 AromaticContact CD2-CE1 3.79Å; Y136-Y594 HydrophobicContact CD2-CE1 3.79Å; Y136-Y594 AromaticContact CG-CE1 3.99Å; Y136-Y594 HydrophobicContact CG-CE1 3.99Å; T227-Y594 HydrophobicContact CG2-CD1 3.49Å; T227-Y594 VanDerWaalsContact CG2-CD1 3.49Å; T227-Y594 HydrophobicContact CG2-CE1 3.87Å; T227-Y594 HydrophobicContact CG2-CG 4.03Å; G231-Y594 WeakPolarHBondContact O-CB 3.3Å; G231-Y594 PolarHBondContact O-N 3.31Å; P234-Y594 VanDerWaalsContact CD-CD2 3.41Å; P234-Y594 HydrophobicContact CG-CD2 4.27Å; P234-Y594 HydrophobicContact CG-CE2 3.88Å; R556-Y594 PolarHBondContact NH2-O 2.78Å; R556-Y594 VanDerWaalsContact NH2-O 3.17Å; Q592-Y594 PolarHBondContact O-N 3.03Å; Y594-P596 HydrophobicContact CE1-CB 4.43Å
595	S	95.8	Very high	95	Very high	50 Å²	50	58.5 Å²	58.5	35%	0.35	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-95.2	130.3	169.8	178	0	0	0	0	111.1	K133 I593 D597	K133-S595 WeakPolarHBondContact CE-O 3.41Å; K133-S595 PolarHBondContact NZ-O 3.05Å; I593-S595 PolarHBondContact O-N 2.8Å; S595-D597 PolarHBondContact O-N 3.38Å; S595-D597 WeakPolarHBondContact OG-CB 3.42Å; S595-D597 PolarHBondContact OG-N 3.09Å
596	P	96.4	Very high	94.6	Very high	22 Å²	22	65.1 Å²	65.1	14%	0.143	35%	0.35	C	S	.	.			trans	-76.6	-5	172.6	33.7	-35.4	0	0	0	113.2	Q100 K133 R137 Y594	Q100-P596 PolarHBondContact NE2-O 2.94Å; K133-P596 WeakPolarHBondContact CD-O 3.46Å; R137-P596 HydrophobicContact CB-CB 4.09Å; Y594-P596 HydrophobicContact CE1-CB 4.43Å
597	D	96.6	Very high	94.3	Very high	80 Å²	80	65.1 Å²	65.1	43%	0.428	36%	0.363	S	S	.	.	S	Bend	trans	-70.5	142.3	178.1	-66.8	-23	0	0	0	111.2	K133 S595 D599	K133-D597 VanDerWaalsContact CD-O 3.28Å; K133-D597 WeakPolarHBondContact CD-O 3.29Å; K133-D597 WeakPolarHBondContact CE-O 3.41Å; K133-D597 PolarHBondContact NZ-O 3.42Å; S595-D597 PolarHBondContact O-N 3.38Å; S595-D597 WeakPolarHBondContact OG-CB 3.42Å; S595-D597 PolarHBondContact OG-N 3.09Å; D597-D599 PolarHBondContact O-N 3.15Å
598	Y	97.1	Very high	94.2	Very high	30 Å²	30	69.9 Å²	69.9	12%	0.118	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-66.4	126.4	177.8	-68.9	-55.8	0	0	0	112.4	K75 A78 Q100 Q103 N131 K133	K75-Y598 HydrophobicContact CB-CD1 4.07Å; K75-Y598 HydrophobicContact CB-CE1 3.85Å; K75-Y598 HydrophobicContact CB-CE2 4.43Å; K75-Y598 HydrophobicContact CB-CG 4.45Å; K75-Y598 HydrophobicContact CD-CD1 3.99Å; K75-Y598 HydrophobicContact CD-CD2 4.45Å; K75-Y598 HydrophobicContact CD-CG 3.9Å; K75-Y598 HydrophobicContact CG-CD1 3.6Å; K75-Y598 HydrophobicContact CG-CE1 3.85Å; K75-Y598 HydrophobicContact CG-CG 4.03Å; K75-Y598 PolarHBondContact O-OH 3.36Å; A78-Y598 HydrophobicContact CB-CD2 3.9Å; A78-Y598 HydrophobicContact CB-CE2 3.4Å; Q100-Y598 HydrophobicContact CB-CD2 4.08Å; Q100-Y598 HydrophobicContact CB-CE2 3.74Å; Q100-Y598 HydrophobicContact CG-CD2 4.08Å; Q100-Y598 HydrophobicContact CG-CE2 3.51Å; Q103-Y598 VanDerWaalsContact OE1-CE2 3.3Å; Q103-Y598 PolarHBondContact OE1-OH 3.16Å; N131-Y598 PolarHBondContact ND2-OH 3.17Å; N131-Y598 PolarHBondContact OD1-OH 3.25Å; K133-Y598 HydrophobicContact CB-CD1 3.72Å; K133-Y598 HydrophobicContact CB-CE1 3.62Å; K133-Y598 HydrophobicContact CG-CD1 4.15Å; K133-Y598 HydrophobicContact CG-CE1 4.46Å
599	D	93.7	Very high	94.1	Very high	47 Å²	47	72.5 Å²	72.5	25%	0.251	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-73	148.2	170	-53.4	-60.1	0	0	0	111	G56 V58 K75 K133 D597	G56-D599 CarbonylContact O-C 3.6Å; G56-D599 VanDerWaalsContact O-CA 3.27Å; G56-D599 WeakPolarHBondContact O-CA 3.37Å; G56-D599 WeakPolarHBondContact O-CB 3.25Å; V58-D599 HydrophobicContact CB-CB 4.23Å; V58-D599 HydrophobicContact CG2-CB 3.32Å; K75-D599 WeakPolarHBondContact CE-O 3.37Å; K75-D599 PolarHBondContact NZ-O 3.11Å; K133-D599 WeakPolarHBondContact CE-OD2 3.45Å; K133-D599 IonicContact NZ-OD1 3.31Å; K133-D599 IonicContact NZ-OD2 2.62Å; K133-D599 PolarHBondContact NZ-OD2 3.14Å; D597-D599 PolarHBondContact O-N 3.15Å
600	S	93.6	Very high	93.7	Very high	20 Å²	20	78.5 Å²	78.5	14%	0.14	42%	0.42	C	S	.	.	B	Isolated β-bridge	trans	-77.8	140.4	179.3	-157.4	0	0	0	0	112.2	G56 V58 T602	G56-S600 PolarHBondContact O-N 2.75Å; V58-S600 PolarHBondContact N-O 2.99Å; S600-T602 PolarHBondContact OG-N 3.2Å; S600-T602 PolarHBondContact OG-OG1 3.35Å
601	F	93.4	Very high	93.5	Very high	17 Å²	17	81.8 Å²	81.8	8%	0.075	43%	0.432	C	S	.	.			trans	-101.1	1.6	167.6	-68.9	-72.7	0	0	0	113.2	V58 T60 L73 K75 F79 E83 L87	V58-F601 HydrophobicContact CB-CD1 4.33Å; V58-F601 HydrophobicContact CB-CE1 3.98Å; V58-F601 HydrophobicContact CG1-CD1 4.36Å; V58-F601 HydrophobicContact CG1-CE1 3.67Å; V58-F601 HydrophobicContact CG1-CZ 4.38Å; T60-F601 HydrophobicContact CG2-CD1 4.05Å; T60-F601 HydrophobicContact CG2-CE1 3.91Å; L73-F601 HydrophobicContact CB-CZ 3.97Å; L73-F601 HydrophobicContact CD2-CE1 4Å; L73-F601 HydrophobicContact CD2-CZ 3.91Å; L73-F601 WeakPolarHBondContact O-CE2 3.43Å; K75-F601 HydrophobicContact CD-CD2 4.44Å; K75-F601 HydrophobicContact CD-CE2 4.35Å; K75-F601 VanDerWaalsContact CE-CD2 3.46Å; K75-F601 VanDerWaalsContact CE-CE2 3.44Å; K75-F601 HydrophobicContact CG-CE2 4.31Å; F79-F601 HydrophobicContact CD1-CD2 4.21Å; F79-F601 AromaticContact CE1-CD2 3.58Å; F79-F601 HydrophobicContact CE1-CD2 3.58Å; F79-F601 AromaticContact CE1-CE2 3.59Å; F79-F601 HydrophobicContact CE1-CE2 3.59Å; F79-F601 HydrophobicContact CZ-CE2 4.29Å; E83-F601 HydrophobicContact CG-CB 4.09Å; E83-F601 PolarHBondContact OE1-N 3.41Å; L87-F601 HydrophobicContact CD1-CB 3.81Å; L87-F601 HydrophobicContact CD1-CD1 4.45Å; L87-F601 HydrophobicContact CD1-CD2 3.96Å; L87-F601 HydrophobicContact CD1-CG 3.83Å; L87-F601 HydrophobicContact CD2-CB 4.27Å; L87-F601 HydrophobicContact CD2-CD1 4.36Å; L87-F601 HydrophobicContact CD2-CG 4.4Å; L87-F601 HydrophobicContact CG-CB 4.27Å
602	T	90.8	Very high	93.3	Very high	38 Å²	38	80.4 Å²	80.4	23%	0.233	43%	0.426	C	S	.	.	S	Bend	trans	-61.3	138.3	173.6	56.7	0	0	0	0	110	E82 E83 S600 D604	E82-T602 HydrophobicContact CG-CG2 4.46Å; E83-T602 HydrophobicContact CG-CG2 4.08Å; S600-T602 PolarHBondContact OG-N 3.2Å; S600-T602 PolarHBondContact OG-OG1 3.35Å; T602-D604 PolarHBondContact O-N 3.27Å
603	L	87.3	Confident	93.3	Very high	109 Å²	109	81.5 Å²	81.5	57%	0.571	43%	0.433	S	S	*	.			trans	-62.7	134.5	175.5	-66.1	173.3	0	0	0	110.1	T605	L603-T605 VanDerWaalsContact C-N 3.34Å; L603-T605 HydrophobicContact CB-CG2 3.85Å; L603-T605 PolarHBondContact O-N 3.21Å
604	D	87.6	Confident	93.1	Very high	139 Å²	139	84 Å²	84	74%	0.743	45%	0.447	S	S	*	.			trans	-72	94.6	168	-173.5	19.5	0	0	0	108	T602	T602-D604 PolarHBondContact O-N 3.27Å
605	T	88.2	Confident	92.8	Very high	117 Å²	117	89.6 Å²	89.6	72%	0.718	48%	0.483	S	S	*	.			trans	-100.9	132.4	-175.6	53.8	0	0	0	0	109.7	L603	L603-T605 VanDerWaalsContact C-N 3.34Å; L603-T605 HydrophobicContact CB-CG2 3.85Å; L603-T605 PolarHBondContact O-N 3.21Å
606	Y	90.6	Very high	92.5	Very high	172 Å²	172	96.3 Å²	96.3	68%	0.675	51%	0.509	S	S	*	.			trans	-138.3	146.4	175.3	64.2	-78.6	0	0	0	109	W608	Y606-W608 AromaticContact CD2-CD1 3.82Å; Y606-W608 AromaticContact CD2-NE1 3.83Å; Y606-W608 AromaticContact CE2-CD1 3.51Å; Y606-W608 AromaticContact CE2-NE1 3.03Å; Y606-W608 AromaticContact CZ-NE1 3.63Å
607	S	91.8	Very high	92	Very high	115 Å²	115	103 Å²	103	80%	0.804	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-90	145.8	178.5	50.2	0	0	0	0	111
608	W	94.8	Very high	90.8	Very high	149 Å²	149	109 Å²	109	56%	0.564	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-97.5	162.2	167.7	-76	33.7	0	0	0	109.3	Y606 Q610 A612 I613	Y606-W608 AromaticContact CD2-CD1 3.82Å; Y606-W608 AromaticContact CD2-NE1 3.83Å; Y606-W608 AromaticContact CE2-CD1 3.51Å; Y606-W608 AromaticContact CE2-NE1 3.03Å; Y606-W608 AromaticContact CZ-NE1 3.63Å; W608-Q610 PolarHBondContact O-N 3.11Å; W608-A612 HydrophobicContact CE3-CB 4.26Å; W608-I613 HydrophobicContact CB-CG2 3.56Å; W608-I613 HydrophobicContact CG-CG2 4.33Å
609	P	95.9	Very high	90.4	Very high	97 Å²	97	113 Å²	113	63%	0.63	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-52.2	136.8	169.8	-25.6	35.2	0	0	0	111.2	E611 A612 I613	P609-E611 VanDerWaalsContact C-N 3.26Å; P609-E611 PolarHBondContact O-N 3.24Å; P609-A612 HydrophobicContact CB-CB 4.47Å; P609-A612 WeakPolarHBondContact O-CA 3.27Å; P609-A612 WeakPolarHBondContact O-CB 3.41Å; P609-A612 PolarHBondContact O-N 2.9Å; P609-I613 PolarHBondContact O-N 3.43Å
610	Q	90.7	Very high	90.3	Very high	127 Å²	127	116.5 Å²	116.5	59%	0.593	62%	0.624	S	S	*	*	H	α-helix	trans	-55.5	-41.5	-172.9	-173.2	60	47.9	0	0	112.5	W608 A612 I613 N614	W608-Q610 PolarHBondContact O-N 3.11Å; Q610-A612 PolarHBondContact O-N 3.05Å; Q610-I613 VanDerWaalsContact O-CG1 3.27Å; Q610-I613 WeakPolarHBondContact O-CG1 3.45Å; Q610-I613 PolarHBondContact O-N 3.14Å; Q610-I613 VanDerWaalsContact O-N 3.11Å; Q610-N614 PolarHBondContact NE2-OD1 2.76Å; Q610-N614 VanDerWaalsContact O-CG 3.29Å; Q610-N614 PolarHBondContact O-N 2.82Å; Q610-N614 PolarHBondContact O-OD1 3.44Å; Q610-N614 VanDerWaalsContact O-OD1 3.05Å
611	E	92.9	Very high	90.1	Very high	173 Å²	173	121.8 Å²	121.8	81%	0.808	65%	0.651	S	S	*	*	H	α-helix	trans	-58	-32.9	177.1	-63.8	174.4	-172.6	0	0	112.8	P609	P609-E611 VanDerWaalsContact C-N 3.26Å; P609-E611 PolarHBondContact O-N 3.24Å
612	A	92.9	Very high	89.9	Confident	63 Å²	63	128 Å²	128	52%	0.521	69%	0.685	S	S	.	*	H	α-helix	trans	-81.3	-15.1	-179.4	0	0	0	0	0	113.7	W608 P609 Q610	W608-A612 HydrophobicContact CE3-CB 4.26Å; P609-A612 HydrophobicContact CB-CB 4.47Å; P609-A612 WeakPolarHBondContact O-CA 3.27Å; P609-A612 WeakPolarHBondContact O-CB 3.41Å; P609-A612 PolarHBondContact O-N 2.9Å; Q610-A612 PolarHBondContact O-N 3.05Å
613	I	94.4	Very high	89.8	Confident	85 Å²	85	133.6 Å²	133.6	44%	0.436	71%	0.713	S	S	.	*	H	α-helix	trans	-109.4	2.8	178.8	63	170.7	0	0	0	113.3	W608 P609 Q610 V615	W608-I613 HydrophobicContact CB-CG2 3.56Å; W608-I613 HydrophobicContact CG-CG2 4.33Å; P609-I613 PolarHBondContact O-N 3.43Å; Q610-I613 VanDerWaalsContact O-CG1 3.27Å; Q610-I613 WeakPolarHBondContact O-CG1 3.45Å; Q610-I613 PolarHBondContact O-N 3.14Å; Q610-I613 VanDerWaalsContact O-N 3.11Å; I613-V615 PolarHBondContact O-N 3.28Å
614	N	92.4	Very high	90	Very high	94 Å²	94	135.3 Å²	135.3	50%	0.503	72%	0.723	S	S	.	*	P	Polyproline II helix	trans	-63	125	176	-74.7	-17.6	0	0	0	109.7	Q610 Q616	Q610-N614 PolarHBondContact NE2-OD1 2.76Å; Q610-N614 VanDerWaalsContact O-CG 3.29Å; Q610-N614 PolarHBondContact O-N 2.82Å; Q610-N614 PolarHBondContact O-OD1 3.44Å; Q610-N614 VanDerWaalsContact O-OD1 3.05Å; N614-Q616 PolarHBondContact O-N 3.37Å
615	V	92.1	Very high	90.2	Very high	137 Å²	137	135 Å²	135	83%	0.83	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-68.9	123.5	173.7	-178.4	0	0	0	0	107.6	I613	I613-V615 PolarHBondContact O-N 3.28Å
616	Q	90.4	Very high	90.3	Very high	192 Å²	192	136.4 Å²	136.4	90%	0.897	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-72.4	129.6	173.1	-63.3	-179	7.6	0	0	108.6	N614	N614-Q616 PolarHBondContact O-N 3.37Å
617	D	84.2	Confident	90.3	Very high	161 Å²	161	133.4 Å²	133.4	86%	0.861	73%	0.726	S	S	*	*			trans	-120.9	153.1	175.8	-155.5	2.4	0	0	0	109.4
618	V	71.3	Confident	90.2	Very high	208 Å²	208	135.1 Å²	135.1	100%	1.261	72%	0.719	S	S	*	*			trans	-100.5	0	-174.3	178.1	0	0	0	0	112.1

Retrieved 618 of 618 residues in 154.7 ms (Link to these results)

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