A0A096NYS4_PAPAN Loading...

RAF proto-oncogene serine/threonine-protein kinase

AlphaFold DB (P04049), UniProt , Accession A0A096NYS4, Species PAPAN (Papio anubis, Olive baboon), Gene RAF1, Length 648 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.5	Very low	31.6	Very low	234 Å²	234	165.2 Å²	165.2	100%	1.153	85%	0.847	S	S	*	*				0	71.8	0	-66.6	-158.9	-90	0	0	106.8
2	E	31.3	Very low	31.6	Very low	186 Å²	186	158.5 Å²	158.5	87%	0.869	83%	0.826	S	S	*	*				94.9	109.7	80.7	-82.2	-168.5	157.7	0	0	111.7
3	H	27.7	Very low	31.7	Very low	175 Å²	175	158.2 Å²	158.2	81%	0.81	83%	0.826	S	S	*	*			trans	-52	156.9	158.7	-94.9	-106.8	0	0	0	111.4
4	I	39.1	Very low	31.6	Very low	165 Å²	165	151.8 Å²	151.8	85%	0.846	82%	0.817	S	S	*	*				-167.4	131.3	129.2	-92.3	145.4	0	0	0	109.8
5	Q	29.7	Very low	31.8	Very low	186 Å²	186	156.7 Å²	156.7	87%	0.869	83%	0.829	S	S	*	*			trans	-76.6	150.7	169.9	-74.5	167.5	-33.5	0	0	111.2
6	G	34.9	Very low	31.9	Very low	70 Å²	70	151.3 Å²	151.3	72%	0.722	82%	0.821	S	S	*	*			trans	-142.9	114.4	167.1	0	0	0	0	0	111.6
7	A	28.7	Very low	31.8	Very low	100 Å²	100	154.1 Å²	154.1	83%	0.826	83%	0.825	S	S	*	*			trans	-78.4	150	175.5	0	0	0	0	0	112
8	W	30	Very low	32	Very low	240 Å²	240	157 Å²	157	91%	0.909	83%	0.829	S	S	*	*			trans	-127.2	121.8	167.4	-77	60.2	0	0	0	110.3
9	K	28.3	Very low	31.8	Very low	205 Å²	205	156.9 Å²	156.9	89%	0.891	83%	0.829	S	S	*	*			trans	-102.6	139.5	165.8	-81.5	179.5	172.6	177.3	0	108.1
10	T	34.2	Very low	31.9	Very low	106 Å²	106	153.6 Å²	153.6	65%	0.65	82%	0.824	S	S	*	*			trans	-150.9	106.8	165.3	-38.2	0	0	0	0	109
11	I	33.5	Very low	31.7	Very low	150 Å²	150	153 Å²	153	77%	0.769	83%	0.826	S	S	*	*				77.7	139.6	105.3	-66.2	179.1	0	0	0	112.7
12	S	31.8	Very low	31.8	Very low	85 Å²	85	151.5 Å²	151.5	59%	0.594	81%	0.813	S	S	*	*			cis	-170.3	156.6	-12.2	49.2	0	0	0	0	105.4
13	N	32.9	Very low	31.7	Very low	155 Å²	155	150 Å²	150	83%	0.829	81%	0.812	S	S	*	*				-173.7	130.5	104.1	-85.8	-12.6	0	0	0	109
14	G	30.1	Very low	31.7	Very low	68 Å²	68	144.5 Å²	144.5	70%	0.701	80%	0.802	S	S	*	*			trans	-98.1	161.4	174.5	0	0	0	0	0	112.8
15	F	34.3	Very low	31.4	Very low	226 Å²	226	142.8 Å²	142.8	99%	0.991	81%	0.805	S	S	*	*			trans	-143.6	133	148.7	-105.6	-83.7	0	0	0	107.5
16	G	33	Very low	31.5	Very low	69 Å²	69	139 Å²	139	71%	0.711	80%	0.799	S	S	*	*			trans	-94.5	162.6	-165.7	0	0	0	0	0	116.4
17	F	31.1	Very low	31.3	Very low	200 Å²	200	141.8 Å²	141.8	88%	0.877	81%	0.806	S	S	*	*			trans	0.1	129.4	157.5	-80.9	-95.2	0	0	0	120.6
18	K	34.5	Very low	31.5	Very low	206 Å²	206	144.1 Å²	144.1	90%	0.896	80%	0.803	S	S	*	*				-165	139.8	118	-110	175	177.2	-179.7	0	111.5
19	D	28	Very low	31.6	Very low	155 Å²	155	137.4 Å²	137.4	83%	0.829	79%	0.793	S	S	*	*			trans	-56.8	134.4	178.8	-62.5	-66.5	0	0	0	113.4
20	A	34.2	Very low	31.8	Very low	90 Å²	90	133.5 Å²	133.5	74%	0.744	79%	0.788	S	S	*	*			trans	-150.2	115.3	159.8	0	0	0	0	0	109.7	F22	A20-F22 PolarHBondContact O-N 3.32Å
21	V	28	Very low	31.9	Very low	143 Å²	143	134 Å²	134	87%	0.867	79%	0.791	S	S	*	*			trans	-60.6	121.2	163.4	173	0	0	0	0	107.9
22	F	33.5	Very low	31.9	Very low	201 Å²	201	134.1 Å²	134.1	88%	0.882	79%	0.792	S	S	*	*			trans	-142.6	128.3	161.6	-111.8	-84.4	0	0	0	111.8	A20	A20-F22 PolarHBondContact O-N 3.32Å
23	D	28.4	Very low	31.9	Very low	155 Å²	155	135.6 Å²	135.6	83%	0.829	80%	0.797	S	S	*	*			trans	-78	154	-177.7	-160.7	-0.3	0	0	0	111.5
24	G	28.1	Very low	31.8	Very low	59 Å²	59	135.9 Å²	135.9	61%	0.608	79%	0.793	S	S	*	*			trans	74.1	103	155.7	0	0	0	0	0	119.8
25	S	33	Very low	31.6	Very low	129 Å²	129	141.3 Å²	141.3	90%	0.902	80%	0.801	S	S	*	*				-167.4	102.8	126.2	-83.9	0	0	0	0	111.1
26	S	30.3	Very low	31.5	Very low	108 Å²	108	139 Å²	139	76%	0.755	79%	0.791	S	S	*	*			trans	-72.1	115.4	178.8	31.5	0	0	0	0	112.1	I28	S26-I28 PolarHBondContact O-N 2.69Å
27	C	31.7	Very low	31.2	Very low	127 Å²	127	139 Å²	139	86%	0.858	79%	0.79	S	S	*	*			trans	-89.5	97	162.2	52.2	0	0	0	0	109.5	S29	C27-S29 PolarHBondContact O-N 3.41Å
28	I	33.4	Very low	31.2	Very low	149 Å²	149	139.9 Å²	139.9	76%	0.764	79%	0.789	S	S	*	*			trans	-71.8	117.8	-179.9	-64.5	168.4	0	0	0	109.7	S26	S26-I28 PolarHBondContact O-N 2.69Å
29	S	31.9	Very low	31	Very low	100 Å²	100	137.9 Å²	137.9	70%	0.699	78%	0.783	S	S	*	*			trans	-79.5	131.3	159.7	-69.3	0	0	0	0	109.3	C27 T31	C27-S29 PolarHBondContact O-N 3.41Å; S29-T31 PolarHBondContact O-N 3.1Å; S29-T31 VanDerWaalsContact O-N 3.09Å
30	P	32.4	Very low	30.9	Very low	122 Å²	122	142.4 Å²	142.4	79%	0.792	79%	0.788	S	S	*	*			trans	-79.3	99.6	178.1	30.8	-29.3	0	0	0	109
31	T	36.6	Very low	30.8	Very low	116 Å²	116	149.3 Å²	149.3	71%	0.712	80%	0.795	S	S	*	*			trans	-104.3	107.2	157.8	-50.2	0	0	0	0	106.9	S29 V33	S29-T31 PolarHBondContact O-N 3.1Å; S29-T31 VanDerWaalsContact O-N 3.09Å; T31-V33 PolarHBondContact O-N 3.2Å
32	I	33.7	Very low	30.9	Very low	153 Å²	153	146.9 Å²	146.9	79%	0.785	79%	0.79	S	S	*	*			trans	-61.7	104.7	170.1	-69.3	171.1	0	0	0	107.1	Q34	I32-Q34 HydrophobicContact CG2-CG 4.34Å
33	V	30.1	Very low	30.9	Very low	117 Å²	117	143 Å²	143	71%	0.709	79%	0.788	S	S	*	*			trans	-94.3	97.6	165.4	179.2	0	0	0	0	106.1	T31 Q35	T31-V33 PolarHBondContact O-N 3.2Å; V33-Q35 PolarHBondContact O-N 3.37Å
34	Q	31.7	Very low	31.3	Very low	161 Å²	161	143.5 Å²	143.5	75%	0.752	79%	0.79	S	S	*	*			trans	-69.7	107.5	162.8	-91.3	175.6	-26.7	0	0	107.9	I32 F36	I32-Q34 HydrophobicContact CG2-CG 4.34Å; Q34-F36 PolarHBondContact O-N 3.21Å
35	Q	26	Very low	31.7	Very low	182 Å²	182	148.2 Å²	148.2	85%	0.85	80%	0.801	S	S	*	*			trans	-62.2	114	165.9	-76	172.1	-35.3	0	0	109.1	V33	V33-Q35 PolarHBondContact O-N 3.37Å
36	F	31.7	Very low	31.7	Very low	178 Å²	178	145.4 Å²	145.4	78%	0.781	79%	0.793	S	S	*	*			trans	-114.1	105.5	151.3	-88.5	-81.8	0	0	0	107.2	Q34	Q34-F36 PolarHBondContact O-N 3.21Å
37	G	26.8	Very low	31.8	Very low	67 Å²	67	149.8 Å²	149.8	69%	0.691	80%	0.799	S	S	*	*			trans	-73.8	138.3	167.6	0	0	0	0	0	109.5
38	Y	30.4	Very low	31.9	Very low	219 Å²	219	152.2 Å²	152.2	86%	0.859	80%	0.802	S	S	*	*			trans	-140.2	128	157.2	-107.6	-85.3	0	0	0	110.1
39	Q	31.1	Very low	31.9	Very low	165 Å²	165	151.7 Å²	151.7	77%	0.771	81%	0.806	S	S	*	*			trans	-57.2	144.5	-175.5	-78.4	153.2	-55.1	0	0	113.3	R41	Q39-R41 PolarHBondContact O-N 2.98Å
40	R	26.2	Very low	31.9	Very low	250 Å²	250	152.7 Å²	152.7	94%	0.943	80%	0.804	S	S	*	*			trans	-58.8	130.8	157.3	-63.7	-173.9	-158.5	-171.3	5.8	109
41	R	31.3	Very low	32	Very low	235 Å²	235	153.4 Å²	153.4	89%	0.887	81%	0.808	S	S	*	*			trans	-132.2	120.3	148.6	-75.2	-164.5	-178.7	-167.9	1.7	108.7	Q39	Q39-R41 PolarHBondContact O-N 2.98Å
42	A	30.2	Very low	32.1	Very low	91 Å²	91	151.7 Å²	151.7	75%	0.752	80%	0.801	S	S	*	*			trans	-78.3	166.8	160.8	0	0	0	0	0	109.2
43	S	34.7	Very low	32.4	Very low	121 Å²	121	154.1 Å²	154.1	85%	0.846	81%	0.806	S	S	*	*			trans	91.7	102.8	178.6	-47.8	0	0	0	0	114.5
44	D	36.8	Very low	33.5	Very low	164 Å²	164	154.3 Å²	154.3	88%	0.877	81%	0.807	S	S	*	*				-168	148.6	96.4	-141	-12.4	0	0	0	111.9
45	D	35.6	Very low	35	Very low	158 Å²	158	150.5 Å²	150.5	85%	0.845	80%	0.799	S	S	*	*			trans	-75.3	148.9	-172.6	-93.5	-53.4	0	0	0	114.3
46	G	33.6	Very low	37.8	Very low	71 Å²	71	145.6 Å²	145.6	73%	0.732	78%	0.778	S	S	*	*			trans	52.4	98.7	142.7	0	0	0	0	0	120.5
47	K	32.9	Very low	40.5	Very low	200 Å²	200	138.7 Å²	138.7	87%	0.87	75%	0.751	S	S	*	*			trans	-164.6	130.2	132.2	-119.4	170.3	-179.9	175.2	0	113
48	L	31.8	Very low	43.6	Very low	177 Å²	177	135.6 Å²	135.6	93%	0.927	72%	0.718	S	S	*	*			trans	-38.8	126.6	175.7	-69	115	0	0	0	113.8
49	T	34	Very low	46.5	Very low	138 Å²	138	131.6 Å²	131.6	85%	0.847	70%	0.702	S	S	*	*			trans	-131.7	104.1	165.7	42.2	0	0	0	0	110.8
50	D	32.7	Very low	49.3	Very low	122 Å²	122	123.9 Å²	123.9	65%	0.652	67%	0.666	S	S	*	*			trans	8.2	119.8	153	-156.4	-18.2	0	0	0	119.4	S52	D50-S52 PolarHBondContact O-N 3.03Å; D50-S52 VanDerWaalsContact O-N 3.1Å; D50-S52 WeakPolarHBondContact OD1-CB 3.24Å; D50-S52 PolarHBondContact OD1-N 2.88Å; D50-S52 PolarHBondContact OD1-OG 2.68Å; D50-S52 PolarHBondContact OD2-OG 3.47Å
51	P	34.6	Very low	52.3	Low	137 Å²	137	115.7 Å²	115.7	89%	0.89	64%	0.637	S	S	*	*	S	Bend	trans	-78.2	22.6	179.4	32.5	-33.8	0	0	0	115.5
52	S	37.7	Very low	54.8	Low	79 Å²	79	104.8 Å²	104.8	55%	0.552	60%	0.596	S	S	*	*			trans	-106.8	11.7	-166.8	63.6	0	0	0	0	118	D50	D50-S52 PolarHBondContact O-N 3.03Å; D50-S52 VanDerWaalsContact O-N 3.1Å; D50-S52 WeakPolarHBondContact OD1-CB 3.24Å; D50-S52 PolarHBondContact OD1-N 2.88Å; D50-S52 PolarHBondContact OD1-OG 2.68Å; D50-S52 PolarHBondContact OD2-OG 3.47Å
53	K	40.9	Very low	56.8	Low	204 Å²	204	101.1 Å²	101.1	89%	0.887	57%	0.565	S	S	*	*			trans	-106.6	79.1	172.1	-78	-178.8	179.7	172.7	0	112.2	S55	K53-S55 PolarHBondContact O-N 3.36Å; K53-S55 VanDerWaalsContact O-N 3.14Å
54	T	52.7	Low	58.3	Low	121 Å²	121	100.1 Å²	100.1	74%	0.742	55%	0.55	S	S	*	.			trans	-66.3	107.8	170.9	43.3	0	0	0	0	110.1	N56	T54-N56 PolarHBondContact O-N 3.22Å
55	S	62.8	Low	59.9	Low	82 Å²	82	102.7 Å²	102.7	57%	0.573	55%	0.553	S	S	*	*			trans	-69.7	113	174.1	57.8	0	0	0	0	109.8	K53 T57	K53-S55 PolarHBondContact O-N 3.36Å; K53-S55 VanDerWaalsContact O-N 3.14Å; S55-T57 PolarHBondContact O-N 2.75Å
56	N	85.3	Confident	61.8	Low	79 Å²	79	98.4 Å²	98.4	42%	0.422	53%	0.528	S	S	.	.			trans	-70.9	64.6	176.2	-71.6	-7.5	0	0	0	111.8	T54 V72 I122	T54-N56 PolarHBondContact O-N 3.22Å; N56-V72 PolarHBondContact O-N 2.92Å; N56-I122 HydrophobicContact CB-CD1 4.33Å
57	T	89.5	Confident	64.2	Low	33 Å²	33	105.1 Å²	105.1	20%	0.202	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	150.1	-173.5	67.3	0	0	0	0	112.1	S55 V69 V70 N71 G123	S55-T57 PolarHBondContact O-N 2.75Å; T57-V69 HydrophobicContact CG2-CG1 4.22Å; T57-V70 CarbonylContact C-O 3.57Å; T57-V70 VanDerWaalsContact CA-O 3.27Å; T57-V70 WeakPolarHBondContact CA-O 3.31Å; T57-N71 VanDerWaalsContact CG2-OD1 3.25Å; T57-N71 WeakPolarHBondContact CG2-OD1 3.49Å; T57-G123 PolarHBondContact O-N 3.21Å
58	I	90.4	Very high	66.8	Low	1 Å²	1	97.1 Å²	97.1	1%	0.005	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.9	174.1	-59.3	174.2	0	0	0	108.2	V60 V69 V70 V72 A118 L121 L126	I58-V60 HydrophobicContact CG2-CG2 3.91Å; I58-V69 WeakPolarHBondContact O-CA 3.3Å; I58-V70 PolarHBondContact N-O 2.83Å; I58-V70 PolarHBondContact O-N 3.04Å; I58-V72 HydrophobicContact CB-CG2 4.49Å; I58-V72 HydrophobicContact CD1-CG2 3.38Å; I58-V72 HydrophobicContact CG1-CG2 3.5Å; I58-V72 VanDerWaalsContact CG1-CG2 3.5Å; I58-A118 HydrophobicContact CD1-CB 4.37Å; I58-L121 HydrophobicContact CD1-CB 3.68Å; I58-L121 HydrophobicContact CG1-CB 4.42Å; I58-L121 WeakPolarHBondContact CG1-O 3.45Å; I58-L126 HydrophobicContact CG2-CD1 3.68Å; I58-L126 HydrophobicContact CG2-CG 3.68Å
59	R	91	Very high	69.6	Low	136 Å²	136	92.8 Å²	92.8	51%	0.513	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	128.7	172.2	-76.2	-178.6	-88.5	-154.6	-4.3	109.3	V69 E124 E125 L126	R59-V69 HydrophobicContact CG-CG2 4.21Å; R59-E124 PolarHBondContact N-O 2.87Å; R59-E125 HydrophobicContact CB-CG 4.16Å; R59-E125 IonicContact CZ-OE1 3.84Å; R59-E125 IonicContact NE-OE1 3.58Å; R59-E125 WeakPolarHBondContact O-CA 3.47Å; R59-L126 PolarHBondContact O-N 2.81Å
60	V	90.9	Very high	72.2	Confident	2 Å²	2	87.2 Å²	87.2	1%	0.012	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	119	-173.6	-172.5	0	0	0	0	109.9	I58 L62 R67 T68 V70 L82 L126 V128	I58-V60 HydrophobicContact CG2-CG2 3.91Å; V60-L62 HydrophobicContact CG1-CD2 4.09Å; V60-L62 HydrophobicContact CG1-CG 4.35Å; V60-R67 WeakPolarHBondContact O-CA 3.04Å; V60-T68 HydrophobicContact CB-CG2 3.85Å; V60-T68 HydrophobicContact CG1-CG2 4.47Å; V60-T68 PolarHBondContact N-O 3.48Å; V60-T68 PolarHBondContact O-N 3.27Å; V60-V70 HydrophobicContact CG2-CG2 4.16Å; V60-L82 HydrophobicContact CB-CD2 4.22Å; V60-L82 HydrophobicContact CG1-CD2 3.78Å; V60-L82 HydrophobicContact CG2-CD2 3.65Å; V60-L126 CarbonylContact C-O 3.57Å; V60-L126 WeakPolarHBondContact CA-O 2.96Å; V60-L126 HydrophobicContact CG1-CB 4.44Å; V60-L126 HydrophobicContact CG2-CB 4.42Å; V60-V128 HydrophobicContact CG1-CG2 3.7Å
61	F	89.8	Confident	74.9	Confident	78 Å²	78	87.2 Å²	87.2	34%	0.342	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	115.5	168.5	-61.9	-83.8	0	0	0	108.6	Q66 L101 E125 L126 Q127 V128	F61-Q66 CarbonylContact C-O 3.59Å; F61-L101 HydrophobicContact CD2-CD1 3.66Å; F61-L101 HydrophobicContact CE2-CD1 3.82Å; F61-E125 HydrophobicContact CE2-CB 4.13Å; F61-E125 HydrophobicContact CE2-CG 4.47Å; F61-L126 WeakPolarHBondContact CD2-O 3.39Å; F61-L126 PolarHBondContact N-O 2.51Å; F61-Q127 HydrophobicContact CB-CB 4.44Å; F61-Q127 HydrophobicContact CB-CG 4.33Å; F61-Q127 CarbonylContact O-C 3.48Å; F61-Q127 WeakPolarHBondContact O-CA 3.48Å; F61-V128 PolarHBondContact O-N 3.2Å
62	L	82.6	Confident	77.4	Confident	7 Å²	7	81 Å²	81	4%	0.037	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	161.5	178.4	-68	171.5	0	0	0	110.3	V60 Q66 T68 A85 L86 R89 V128	V60-L62 HydrophobicContact CG1-CD2 4.09Å; V60-L62 HydrophobicContact CG1-CG 4.35Å; L62-Q66 HydrophobicContact CB-CB 4.09Å; L62-Q66 PolarHBondContact N-O 3.45Å; L62-Q66 PolarHBondContact O-N 3.04Å; L62-T68 HydrophobicContact CD1-CG2 3.7Å; L62-T68 HydrophobicContact CG-CG2 4.15Å; L62-A85 HydrophobicContact CD1-CB 4.4Å; L62-L86 HydrophobicContact CD2-CD2 3.93Å; L62-R89 VanDerWaalsContact CD1-CD 3.46Å; L62-V128 HydrophobicContact CD2-CB 4.03Å; L62-V128 HydrophobicContact CD2-CG2 3.9Å
63	P	72.7	Confident	79.7	Confident	13 Å²	13	86.1 Å²	86.1	8%	0.084	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	158.1	175.8	-22.8	32.2	0	0	0	113.1	L91 V128 F130	P63-L91 HydrophobicContact CG-CD1 4.07Å; P63-V128 WeakPolarHBondContact CD-O 3.21Å; P63-V128 WeakPolarHBondContact CG-O 3.41Å; P63-F130 HydrophobicContact CB-CD2 3.62Å; P63-F130 HydrophobicContact CB-CE2 3.16Å; P63-F130 HydrophobicContact CB-CZ 3.81Å; P63-F130 HydrophobicContact CG-CD2 3.9Å; P63-F130 HydrophobicContact CG-CE2 3.73Å; P63-F130 HydrophobicContact CG-CG 4.44Å; P63-F130 HydrophobicContact CG-CZ 4.08Å
64	N	66.9	Low	81.7	Confident	100 Å²	100	83.1 Å²	83.1	54%	0.535	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	38.3	-172.7	-69.2	-12.7	0	0	0	114.9	Q66	N64-Q66 WeakPolarHBondContact O-CG 3.47Å; N64-Q66 PolarHBondContact O-N 3.35Å
65	K	69.8	Low	83.2	Confident	219 Å²	219	80.8 Å²	80.8	95%	0.952	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	29.3	176.9	-56.3	-179	179.1	179.6	0	113.4
66	Q	75.5	Confident	84.4	Confident	68 Å²	68	79.7 Å²	79.7	32%	0.318	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	151.1	179.1	-60.8	-172.9	9.4	0	0	109.9	F61 L62 N64	F61-Q66 CarbonylContact C-O 3.59Å; L62-Q66 HydrophobicContact CB-CB 4.09Å; L62-Q66 PolarHBondContact N-O 3.45Å; L62-Q66 PolarHBondContact O-N 3.04Å; N64-Q66 WeakPolarHBondContact O-CG 3.47Å; N64-Q66 PolarHBondContact O-N 3.35Å
67	R	83.7	Confident	84.6	Confident	211 Å²	211	76.9 Å²	76.9	80%	0.796	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.1	175.4	64.6	-177.6	-179.3	-178.6	0.1	110.3	V60	V60-R67 WeakPolarHBondContact O-CA 3.04Å
68	T	88.6	Confident	84.7	Confident	33 Å²	33	75.3 Å²	75.3	20%	0.202	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.9	172.1	-165.2	0	0	0	0	109.5	V60 L62 V70 A85	V60-T68 HydrophobicContact CB-CG2 3.85Å; V60-T68 HydrophobicContact CG1-CG2 4.47Å; V60-T68 PolarHBondContact N-O 3.48Å; V60-T68 PolarHBondContact O-N 3.27Å; L62-T68 HydrophobicContact CD1-CG2 3.7Å; L62-T68 HydrophobicContact CG-CG2 4.15Å; T68-V70 HydrophobicContact CG2-CG2 4.06Å; T68-A85 HydrophobicContact CG2-CB 4.09Å
69	V	89.3	Confident	84.6	Confident	86 Å²	86	78.3 Å²	78.3	52%	0.521	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.3	169.6	-177.3	0	0	0	0	107	T57 I58 R59	T57-V69 HydrophobicContact CG2-CG1 4.22Å; I58-V69 WeakPolarHBondContact O-CA 3.3Å; R59-V69 HydrophobicContact CG-CG2 4.21Å
70	V	89.3	Confident	84.5	Confident	21 Å²	21	76.1 Å²	76.1	13%	0.127	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.2	-178.6	-166	0	0	0	0	109.8	T57 I58 V60 T68 C81 L82	T57-V70 CarbonylContact C-O 3.57Å; T57-V70 VanDerWaalsContact CA-O 3.27Å; T57-V70 WeakPolarHBondContact CA-O 3.31Å; I58-V70 PolarHBondContact N-O 2.83Å; I58-V70 PolarHBondContact O-N 3.04Å; V60-V70 HydrophobicContact CG2-CG2 4.16Å; T68-V70 HydrophobicContact CG2-CG2 4.06Å; V70-C81 WeakPolarHBondContact CG1-O 3.4Å; V70-C81 WeakPolarHBondContact CG1-SG 3.32Å; V70-L82 HydrophobicContact CG2-CD2 4.24Å
71	N	89.2	Confident	84.5	Confident	121 Å²	121	76.4 Å²	76.4	65%	0.647	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	134	176.1	-63.4	-16.7	0	0	0	109.9	T57	T57-N71 VanDerWaalsContact CG2-OD1 3.25Å; T57-N71 WeakPolarHBondContact CG2-OD1 3.49Å
72	V	87.6	Confident	84.5	Confident	8 Å²	8	72.7 Å²	72.7	5%	0.048	37%	0.368	C	S	.	.			trans	-104.2	138.9	-178.3	-178.1	0	0	0	0	110.3	N56 I58 A118 A119 I122	N56-V72 PolarHBondContact O-N 2.92Å; I58-V72 HydrophobicContact CB-CG2 4.49Å; I58-V72 HydrophobicContact CD1-CG2 3.38Å; I58-V72 HydrophobicContact CG1-CG2 3.5Å; I58-V72 VanDerWaalsContact CG1-CG2 3.5Å; V72-A118 HydrophobicContact CG1-CB 3.82Å; V72-A118 HydrophobicContact CG2-CB 4.36Å; V72-A119 HydrophobicContact CG1-CB 4.4Å; V72-I122 HydrophobicContact CB-CD1 4.32Å; V72-I122 HydrophobicContact CB-CG1 4.03Å; V72-I122 HydrophobicContact CG1-CD1 4.2Å; V72-I122 HydrophobicContact CG1-CG1 4.09Å; V72-I122 HydrophobicContact CG2-CG1 4.22Å
73	R	85.6	Confident	84.7	Confident	185 Å²	185	75 Å²	75	70%	0.698	38%	0.379	S	S	*	.			trans	-118.4	148	168.1	-59.2	-177.9	179.9	178	-2.9	108.7	G75 M76	R73-G75 PolarHBondContact O-N 2.91Å; R73-M76 HydrophobicContact CB-CE 4.15Å; R73-M76 HydrophobicContact CB-CG 4.19Å; R73-M76 HydrophobicContact CB-SD 3.84Å; R73-M76 HydrophobicContact CG-CE 4.17Å; R73-M76 HydrophobicContact CG-SD 4.15Å; R73-M76 WeakPolarHBondContact O-CB 3.09Å; R73-M76 PolarHBondContact O-N 2.7Å
74	N	82.3	Confident	85.2	Confident	141 Å²	141	82.4 Å²	82.4	75%	0.754	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	132.7	175.6	-68.1	-10.2	0	0	0	110.4
75	G	83.5	Confident	86.1	Confident	72 Å²	72	78.2 Å²	78.2	74%	0.742	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	4.1	-179.8	0	0	0	0	0	115.9	R73	R73-G75 PolarHBondContact O-N 2.91Å
76	M	88.5	Confident	86.7	Confident	59 Å²	59	67.8 Å²	67.8	29%	0.291	34%	0.344	S	S	.	.			trans	-82.8	132.2	172.2	-74.7	-176.3	162.9	0	0	111.3	R73 A118	R73-M76 HydrophobicContact CB-CE 4.15Å; R73-M76 HydrophobicContact CB-CG 4.19Å; R73-M76 HydrophobicContact CB-SD 3.84Å; R73-M76 HydrophobicContact CG-CE 4.17Å; R73-M76 HydrophobicContact CG-SD 4.15Å; R73-M76 WeakPolarHBondContact O-CB 3.09Å; R73-M76 PolarHBondContact O-N 2.7Å; M76-A118 HydrophobicContact CB-CB 4.47Å; M76-A118 VanDerWaalsContact O-CB 3.26Å; M76-A118 WeakPolarHBondContact O-CB 3.38Å; M76-A118 PolarHBondContact O-N 2.98Å
77	S	90.9	Very high	86.8	Confident	21 Å²	21	71 Å²	71	15%	0.147	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-73.7	160.3	167.4	68	0	0	0	0	111.2	H79 D80 C81	S77-H79 PolarHBondContact O-N 3.13Å; S77-D80 PolarHBondContact N-OD2 2.91Å; S77-D80 PolarHBondContact O-N 3.05Å; S77-D80 VanDerWaalsContact O-N 3.1Å; S77-D80 PolarHBondContact OG-N 2.92Å; S77-D80 VanDerWaalsContact OG-N 3.15Å; S77-D80 PolarHBondContact OG-OD2 3.1Å; S77-C81 WeakPolarHBondContact O-CB 3.4Å; S77-C81 PolarHBondContact O-N 3.01Å
78	L	90	Very high	86.3	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-55.7	-36.6	171.8	-174.6	64.2	0	0	0	111.8	C81 L82 V98 L112 W114 T116 L121 L126	L78-C81 PolarHBondContact O-N 3.45Å; L78-L82 HydrophobicContact CD1-CD1 3.8Å; L78-L82 HydrophobicContact CD1-CG 4.19Å; L78-L82 HydrophobicContact CG-CD1 3.99Å; L78-L82 WeakPolarHBondContact O-CB 3.44Å; L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 2.86Å; L78-V98 HydrophobicContact CD1-CG1 4.47Å; L78-V98 HydrophobicContact CD2-CB 3.82Å; L78-V98 HydrophobicContact CD2-CG1 3.88Å; L78-V98 HydrophobicContact CD2-CG2 3.97Å; L78-V98 HydrophobicContact CG-CG2 4.5Å; L78-L112 HydrophobicContact CD2-CB 3.85Å; L78-L112 HydrophobicContact CD2-CD1 4.12Å; L78-W114 PolarHBondContact N-O 3.06Å; L78-T116 PolarHBondContact N-O 2.83Å; L78-L121 HydrophobicContact CD1-CD1 3.94Å; L78-L126 HydrophobicContact CD1-CD1 3.6Å
79	H	89.4	Confident	85.4	Confident	64 Å²	64	67.3 Å²	67.3	30%	0.296	35%	0.351	S	S	.	.	H	α-helix	trans	-57.8	-52.6	172	176.6	-86.7	0	0	0	112.1	S77 C81 L82 M83 W114	S77-H79 PolarHBondContact O-N 3.13Å; H79-C81 VanDerWaalsContact C-N 3.27Å; H79-C81 PolarHBondContact O-N 3.08Å; H79-L82 PolarHBondContact O-N 2.65Å; H79-M83 WeakPolarHBondContact CE1-CE 3.29Å; H79-M83 WeakPolarHBondContact NE2-CE 3.45Å; H79-M83 WeakPolarHBondContact O-CB 3.32Å; H79-M83 PolarHBondContact O-N 3.42Å; H79-W114 HydrophobicContact CB-CB 4.3Å; H79-W114 HydrophobicContact CB-CE3 4.15Å; H79-W114 WeakPolarHBondContact CB-O 3.21Å; H79-W114 PolarHBondContact N-O 3.49Å
80	D	89.4	Confident	84.4	Confident	90 Å²	90	64.6 Å²	64.6	48%	0.481	34%	0.341	S	S	.	.	H	α-helix	trans	-63	-37.5	-179.1	-57.9	-41	0	0	0	112	S77	S77-D80 PolarHBondContact N-OD2 2.91Å; S77-D80 PolarHBondContact O-N 3.05Å; S77-D80 VanDerWaalsContact O-N 3.1Å; S77-D80 PolarHBondContact OG-N 2.92Å; S77-D80 VanDerWaalsContact OG-N 3.15Å; S77-D80 PolarHBondContact OG-OD2 3.1Å
81	C	89.3	Confident	83.5	Confident	8 Å²	8	64 Å²	64	5%	0.054	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-51.7	177.3	-167.5	0	0	0	0	111.2	V70 S77 L78 H79 A118	V70-C81 WeakPolarHBondContact CG1-O 3.4Å; V70-C81 WeakPolarHBondContact CG1-SG 3.32Å; S77-C81 WeakPolarHBondContact O-CB 3.4Å; S77-C81 PolarHBondContact O-N 3.01Å; L78-C81 PolarHBondContact O-N 3.45Å; H79-C81 VanDerWaalsContact C-N 3.27Å; H79-C81 PolarHBondContact O-N 3.08Å; C81-A118 HydrophobicContact CB-CB 4.17Å
82	L	90.1	Very high	82.6	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-87.1	-21.5	-172.2	-65.9	179.7	0	0	0	114.6	V60 V70 L78 H79 K84 A85 L86 V98 W114 V128	V60-L82 HydrophobicContact CB-CD2 4.22Å; V60-L82 HydrophobicContact CG1-CD2 3.78Å; V60-L82 HydrophobicContact CG2-CD2 3.65Å; V70-L82 HydrophobicContact CG2-CD2 4.24Å; L78-L82 HydrophobicContact CD1-CD1 3.8Å; L78-L82 HydrophobicContact CD1-CG 4.19Å; L78-L82 HydrophobicContact CG-CD1 3.99Å; L78-L82 WeakPolarHBondContact O-CB 3.44Å; L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 2.86Å; H79-L82 PolarHBondContact O-N 2.65Å; L82-K84 VanDerWaalsContact C-N 3.29Å; L82-K84 PolarHBondContact O-N 2.83Å; L82-K84 VanDerWaalsContact O-N 3.17Å; L82-A85 WeakPolarHBondContact O-CB 3.33Å; L82-A85 PolarHBondContact O-N 3.37Å; L82-L86 HydrophobicContact CB-CD1 4.12Å; L82-L86 HydrophobicContact CB-CG 4.41Å; L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 3.25Å; L82-V98 HydrophobicContact CD1-CG1 4.08Å; L82-V98 HydrophobicContact CD1-CG2 3.72Å; L82-W114 HydrophobicContact CB-CZ3 4.18Å; L82-W114 HydrophobicContact CD1-CH2 4.43Å; L82-W114 HydrophobicContact CD1-CZ3 3.93Å; L82-V128 HydrophobicContact CD1-CG2 4.08Å
83	M	86.2	Confident	82.2	Confident	54 Å²	54	61.8 Å²	61.8	27%	0.266	32%	0.323	S	S	.	.	H	α-helix	trans	-52.1	-45.3	-172.4	178.8	59.3	70.8	0	0	112.8	H79 A85 L86 K87 P93	H79-M83 WeakPolarHBondContact CE1-CE 3.29Å; H79-M83 WeakPolarHBondContact NE2-CE 3.45Å; H79-M83 WeakPolarHBondContact O-CB 3.32Å; H79-M83 PolarHBondContact O-N 3.42Å; M83-A85 PolarHBondContact O-N 3.31Å; M83-L86 PolarHBondContact O-N 2.84Å; M83-K87 WeakPolarHBondContact O-CB 3.24Å; M83-K87 PolarHBondContact O-N 3.09Å; M83-P93 HydrophobicContact CE-CG 3.38Å; M83-P93 HydrophobicContact SD-CG 3.99Å
84	K	84.2	Confident	81.6	Confident	170 Å²	170	58 Å²	58	74%	0.739	31%	0.313	S	S	*	.	H	α-helix	trans	-63.2	-43.7	179	-172.2	177.5	179.4	-179.3	0	111.4	L82 V88	L82-K84 VanDerWaalsContact C-N 3.29Å; L82-K84 PolarHBondContact O-N 2.83Å; L82-K84 VanDerWaalsContact O-N 3.17Å; K84-V88 WeakPolarHBondContact O-CB 3.44Å; K84-V88 WeakPolarHBondContact O-CG2 3.31Å; K84-V88 PolarHBondContact O-N 3.49Å; K84-V88 VanDerWaalsContact O-N 3.07Å
85	A	85.2	Confident	81.1	Confident	11 Å²	11	51.5 Å²	51.5	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-66.3	-39	-179.5	0	0	0	0	0	112.3	L62 T68 L82 M83 R89	L62-A85 HydrophobicContact CD1-CB 4.4Å; T68-A85 HydrophobicContact CG2-CB 4.09Å; L82-A85 WeakPolarHBondContact O-CB 3.33Å; L82-A85 PolarHBondContact O-N 3.37Å; M83-A85 PolarHBondContact O-N 3.31Å; A85-R89 WeakPolarHBondContact O-CD 3.38Å; A85-R89 PolarHBondContact O-NH1 2.88Å
86	L	83.4	Confident	81.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.7	-50	175.5	-65.9	171.4	0	0	0	111.4	L62 L82 M83 V88 R89 G90 L91 P93 W114 V128	L62-L86 HydrophobicContact CD2-CD2 3.93Å; L82-L86 HydrophobicContact CB-CD1 4.12Å; L82-L86 HydrophobicContact CB-CG 4.41Å; L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 3.25Å; M83-L86 PolarHBondContact O-N 2.84Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 2.9Å; L86-R89 CarbonylContact O-C 3.59Å; L86-R89 WeakPolarHBondContact O-CA 3.46Å; L86-R89 PolarHBondContact O-N 3.38Å; L86-G90 PolarHBondContact O-N 3.26Å; L86-G90 VanDerWaalsContact O-N 3.15Å; L86-L91 CarbonylContact C-O 3.59Å; L86-L91 HydrophobicContact CB-CB 4.03Å; L86-L91 HydrophobicContact CD2-CB 3.83Å; L86-L91 HydrophobicContact CD2-CD1 3.89Å; L86-L91 PolarHBondContact O-N 3.44Å; L86-P93 HydrophobicContact CD1-CB 4.38Å; L86-P93 HydrophobicContact CD1-CG 4.13Å; L86-W114 HydrophobicContact CD1-CH2 3.66Å; L86-W114 HydrophobicContact CD1-CZ3 4.05Å; L86-V128 HydrophobicContact CD2-CG1 4.2Å
87	K	76.6	Confident	80.9	Confident	136 Å²	136	45.4 Å²	45.4	59%	0.591	23%	0.23	S	C	*	.	H	α-helix	trans	-60	-40.6	-178.8	-171.6	171.8	-175.4	170	0	112.3	M83 R89 G90	M83-K87 WeakPolarHBondContact O-CB 3.24Å; M83-K87 PolarHBondContact O-N 3.09Å; K87-R89 PolarHBondContact O-N 2.72Å; K87-G90 PolarHBondContact O-N 3.27Å; K87-G90 VanDerWaalsContact O-N 3.14Å
88	V	74.4	Confident	80.8	Confident	109 Å²	109	44.5 Å²	44.5	66%	0.661	22%	0.224	S	C	*	.	H	α-helix	trans	-59.9	-26.5	175.7	168.2	0	0	0	0	112.2	K84 L86	K84-V88 WeakPolarHBondContact O-CB 3.44Å; K84-V88 WeakPolarHBondContact O-CG2 3.31Å; K84-V88 PolarHBondContact O-N 3.49Å; K84-V88 VanDerWaalsContact O-N 3.07Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 2.9Å
89	R	69.8	Low	80.8	Confident	57 Å²	57	46.5 Å²	46.5	22%	0.215	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	5.8	-178.4	-71	163.8	171.5	88.6	-0.6	113.4	L62 A85 L86 K87 L91 T182	L62-R89 VanDerWaalsContact CD1-CD 3.46Å; A85-R89 WeakPolarHBondContact O-CD 3.38Å; A85-R89 PolarHBondContact O-NH1 2.88Å; L86-R89 CarbonylContact O-C 3.59Å; L86-R89 WeakPolarHBondContact O-CA 3.46Å; L86-R89 PolarHBondContact O-N 3.38Å; K87-R89 PolarHBondContact O-N 2.72Å; R89-L91 HydrophobicContact CB-CD1 4.24Å; R89-L91 HydrophobicContact CB-CG 4.16Å; R89-L91 PolarHBondContact O-N 3.06Å; R89-T182 PolarHBondContact O-OG1 2.95Å
90	G	66.5	Low	80.8	Confident	30 Å²	30	46.6 Å²	46.6	31%	0.309	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	20.3	-176.9	0	0	0	0	0	113.7	L86 K87	L86-G90 PolarHBondContact O-N 3.26Å; L86-G90 VanDerWaalsContact O-N 3.15Å; K87-G90 PolarHBondContact O-N 3.27Å; K87-G90 VanDerWaalsContact O-N 3.14Å
91	L	71.5	Confident	80.5	Confident	9 Å²	9	44 Å²	44	5%	0.047	22%	0.216	C	C	.	.			trans	-90.4	138.7	175.4	-57.7	175.4	0	0	0	109	P63 L86 R89 F130	P63-L91 HydrophobicContact CG-CD1 4.07Å; L86-L91 CarbonylContact C-O 3.59Å; L86-L91 HydrophobicContact CB-CB 4.03Å; L86-L91 HydrophobicContact CD2-CB 3.83Å; L86-L91 HydrophobicContact CD2-CD1 3.89Å; L86-L91 PolarHBondContact O-N 3.44Å; R89-L91 HydrophobicContact CB-CD1 4.24Å; R89-L91 HydrophobicContact CB-CG 4.16Å; R89-L91 PolarHBondContact O-N 3.06Å; L91-F130 HydrophobicContact CD2-CE1 3.53Å; L91-F130 HydrophobicContact CD2-CZ 3.41Å; L91-F130 VanDerWaalsContact CD2-CZ 3.41Å
92	Q	70.6	Confident	79.9	Confident	76 Å²	76	47.4 Å²	47.4	36%	0.355	23%	0.234	S	C	.	.			trans	-106.5	133.3	174.3	-70.1	-62.3	-80.8	0	0	107.8	E94 C95 W187	Q92-E94 WeakPolarHBondContact CB-OE2 3.32Å; Q92-E94 PolarHBondContact O-N 3.46Å; Q92-E94 VanDerWaalsContact O-N 3.11Å; Q92-C95 PolarHBondContact O-N 3.48Å; Q92-W187 HydrophobicContact CB-CH2 3.69Å; Q92-W187 HydrophobicContact CB-CZ2 4.11Å; Q92-W187 HydrophobicContact CG-CH2 3.6Å; Q92-W187 HydrophobicContact CG-CZ2 3.57Å
93	P	78.7	Confident	78.8	Confident	6 Å²	6	54.7 Å²	54.7	4%	0.039	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-54.2	-31.6	-177.7	-21.9	28.8	0	0	0	113.3	M83 L86 C95 C96 W114	M83-P93 HydrophobicContact CE-CG 3.38Å; M83-P93 HydrophobicContact SD-CG 3.99Å; L86-P93 HydrophobicContact CD1-CB 4.38Å; L86-P93 HydrophobicContact CD1-CG 4.13Å; P93-C95 PolarHBondContact O-N 3.46Å; P93-C96 PolarHBondContact O-N 3.21Å; P93-W114 HydrophobicContact CB-CD2 4.44Å; P93-W114 HydrophobicContact CB-CH2 4Å; P93-W114 HydrophobicContact CB-CZ2 3.82Å; P93-W114 HydrophobicContact CB-CZ3 4.36Å; P93-W114 WeakPolarHBondContact O-CZ2 3.48Å
94	E	72.9	Confident	77.5	Confident	105 Å²	105	60.9 Å²	60.9	49%	0.491	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-62.6	-27.5	180	-57.9	79.2	-175.1	0	0	112.1	Q92 C96 L131 L194	Q92-E94 WeakPolarHBondContact CB-OE2 3.32Å; Q92-E94 PolarHBondContact O-N 3.46Å; Q92-E94 VanDerWaalsContact O-N 3.11Å; E94-C96 VanDerWaalsContact C-N 3.32Å; E94-L131 WeakPolarHBondContact O-CD1 3.49Å; E94-L194 HydrophobicContact CB-CD1 4.16Å; E94-L194 WeakPolarHBondContact O-CD1 3.48Å; E94-L194 VanDerWaalsContact O-CD2 3.3Å; E94-L194 WeakPolarHBondContact O-CD2 3.02Å
95	C	71.6	Confident	76.2	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.034	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-87.1	-4	178.3	-57	0	0	0	0	113.2	Q92 P93 F130 L131 V134 W187	Q92-C95 PolarHBondContact O-N 3.48Å; P93-C95 PolarHBondContact O-N 3.46Å; C95-F130 HydrophobicContact CB-CD1 4.43Å; C95-F130 WeakPolarHBondContact O-CA 3.42Å; C95-L131 PolarHBondContact O-N 3.22Å; C95-V134 HydrophobicContact CB-CG2 4.43Å; C95-W187 VanDerWaalsContact SG-CH2 3.51Å
96	C	83	Confident	74.5	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.007	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.2	-168.3	-66.5	0	0	0	0	111.2	P93 E94 W114 V128 D129	P93-C96 PolarHBondContact O-N 3.21Å; E94-C96 VanDerWaalsContact C-N 3.32Å; C96-W114 HydrophobicContact CB-CH2 4.43Å; C96-W114 HydrophobicContact CB-CZ2 4.02Å; C96-W114 WeakPolarHBondContact O-CZ2 3.37Å; C96-V128 HydrophobicContact CB-CG1 3.61Å; C96-D129 CarbonylContact C-O 3.52Å; C96-D129 VanDerWaalsContact CA-O 3.31Å; C96-D129 WeakPolarHBondContact CA-O 3.44Å
97	A	85.8	Confident	73.3	Confident	2 Å²	2	71.8 Å²	71.8	2%	0.017	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.7	163.9	0	0	0	0	0	108.9	F99 V128 D129 L131	A97-F99 HydrophobicContact CB-CD2 4.44Å; A97-F99 HydrophobicContact CB-CE2 3.57Å; A97-F99 HydrophobicContact CB-CZ 3.8Å; A97-V128 WeakPolarHBondContact O-CA 3.4Å; A97-D129 PolarHBondContact N-O 3.21Å; A97-D129 PolarHBondContact O-N 3.24Å; A97-L131 HydrophobicContact CB-CD2 3.81Å; A97-L131 HydrophobicContact CB-CG 4.37Å
98	V	88.9	Confident	72.9	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.006	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.4	176.8	-166.5	0	0	0	0	108.7	L78 L82 L112 W114 L126 Q127 V128	L78-V98 HydrophobicContact CD1-CG1 4.47Å; L78-V98 HydrophobicContact CD2-CB 3.82Å; L78-V98 HydrophobicContact CD2-CG1 3.88Å; L78-V98 HydrophobicContact CD2-CG2 3.97Å; L78-V98 HydrophobicContact CG-CG2 4.5Å; L82-V98 HydrophobicContact CD1-CG1 4.08Å; L82-V98 HydrophobicContact CD1-CG2 3.72Å; V98-L112 HydrophobicContact CG1-CD1 4.37Å; V98-L112 PolarHBondContact O-N 3.32Å; V98-W114 HydrophobicContact CG2-CD2 4.43Å; V98-W114 HydrophobicContact CG2-CE3 4.14Å; V98-W114 HydrophobicContact CG2-CH2 3.41Å; V98-W114 VanDerWaalsContact CG2-CH2 3.41Å; V98-W114 HydrophobicContact CG2-CZ2 3.75Å; V98-W114 HydrophobicContact CG2-CZ3 3.64Å; V98-L126 HydrophobicContact CG1-CB 4.1Å; V98-L126 HydrophobicContact CG1-CD1 4.04Å; V98-Q127 CarbonylContact C-O 3.57Å; V98-V128 HydrophobicContact CG1-CG2 4.23Å; V98-V128 HydrophobicContact CG2-CG2 4.19Å
99	F	89.6	Confident	73.1	Confident	43 Å²	43	70.6 Å²	70.6	19%	0.189	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.3	-178.9	-62.5	-87.8	0	0	0	109.8	A97 K109 A110 R111 L126 Q127 D129	A97-F99 HydrophobicContact CB-CD2 4.44Å; A97-F99 HydrophobicContact CB-CE2 3.57Å; A97-F99 HydrophobicContact CB-CZ 3.8Å; F99-K109 HydrophobicContact CB-CB 4.01Å; F99-K109 HydrophobicContact CB-CD 4.24Å; F99-K109 HydrophobicContact CB-CG 4.41Å; F99-K109 HydrophobicContact CD1-CB 3.93Å; F99-K109 HydrophobicContact CG-CB 4.23Å; F99-K109 HydrophobicContact CG-CD 4.32Å; F99-A110 CarbonylContact C-O 3.57Å; F99-A110 VanDerWaalsContact CA-O 3.25Å; F99-A110 WeakPolarHBondContact CA-O 3.2Å; F99-R111 HydrophobicContact CD1-CB 4.1Å; F99-R111 HydrophobicContact CE1-CB 3.93Å; F99-R111 HydrophobicContact CE1-CG 4.33Å; F99-L126 CarbonylContact O-C 3.54Å; F99-L126 VanDerWaalsContact O-CA 3.25Å; F99-L126 WeakPolarHBondContact O-CA 3.38Å; F99-Q127 PolarHBondContact N-O 3.07Å; F99-Q127 PolarHBondContact O-N 2.83Å; F99-D129 HydrophobicContact CD2-CB 4.31Å; F99-D129 HydrophobicContact CE2-CB 3.97Å
100	R	89.4	Confident	73.8	Confident	66 Å²	66	69.8 Å²	69.8	25%	0.249	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.1	164.9	-171.7	-173.1	-67.3	179.1	0.1	109.1	K109 A110 L112 E124 L126	R100-K109 WeakPolarHBondContact O-CA 3.37Å; R100-A110 HydrophobicContact CB-CB 4.49Å; R100-A110 PolarHBondContact N-O 3.25Å; R100-A110 PolarHBondContact O-N 3.47Å; R100-A110 VanDerWaalsContact O-N 3.11Å; R100-L112 HydrophobicContact CB-CD1 4.17Å; R100-L112 HydrophobicContact CB-CD2 4.34Å; R100-L112 HydrophobicContact CB-CG 4.29Å; R100-E124 VanDerWaalsContact CD-OE2 3.26Å; R100-E124 WeakPolarHBondContact CD-OE2 3.5Å; R100-E124 WeakPolarHBondContact CG-OE2 3.26Å; R100-E124 IonicContact NE-OE1 2.67Å; R100-E124 IonicContact NH1-OE1 3.93Å; R100-L126 HydrophobicContact CB-CD2 4.2Å; R100-L126 HydrophobicContact CG-CD2 4.35Å
101	L	83.1	Confident	74.7	Confident	35 Å²	35	76.3 Å²	76.3	18%	0.183	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	115.2	174.7	-66.6	166.2	0	0	0	109.4	F61 K109 E125 Q127	F61-L101 HydrophobicContact CD2-CD1 3.66Å; F61-L101 HydrophobicContact CE2-CD1 3.82Å; L101-K109 HydrophobicContact CD2-CG 4.12Å; L101-E125 HydrophobicContact CB-CB 4.33Å; L101-E125 WeakPolarHBondContact CB-O 3.28Å; L101-E125 HydrophobicContact CD1-CB 3.9Å; L101-E125 PolarHBondContact N-O 2.86Å; L101-Q127 HydrophobicContact CD1-CB 4.25Å; L101-Q127 HydrophobicContact CD2-CB 4.17Å; L101-Q127 HydrophobicContact CG-CB 4.21Å
102	L	76.7	Confident	75.6	Confident	80 Å²	80	76.9 Å²	76.9	42%	0.419	37%	0.374	S	S	.	.			trans	-87.7	118.9	178.6	-65.7	168.7	0	0	0	110.1	E104 K108	L102-E104 VanDerWaalsContact C-N 3.29Å; L102-E104 PolarHBondContact O-N 3.03Å; L102-K108 HydrophobicContact CD1-CB 4.42Å
103	H	66	Low	76.3	Confident	153 Å²	153	77.8 Å²	77.8	71%	0.708	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-23.9	-178.4	-78.2	-74.8	0	0	0	113.9
104	E	60.1	Low	76.8	Confident	184 Å²	184	79.9 Å²	79.9	86%	0.86	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-11.8	-173.1	-66	-170.7	149.2	0	0	114.7	L102	L102-E104 VanDerWaalsContact C-N 3.29Å; L102-E104 PolarHBondContact O-N 3.03Å
105	H	55.8	Low	77.5	Confident	111 Å²	111	81 Å²	81	51%	0.514	40%	0.397	S	S	.	.	S	Bend	trans	-139.9	103.4	176	-75	-67.8	0	0	0	110.8	G107 K108	H105-G107 PolarHBondContact O-N 3.42Å; H105-K108 HydrophobicContact CB-CB 4.21Å; H105-K108 HydrophobicContact CB-CD 4.03Å; H105-K108 HydrophobicContact CB-CG 4.2Å; H105-K108 PolarHBondContact O-N 3.1Å; H105-K108 VanDerWaalsContact O-N 3.08Å
106	K	50.7	Low	78.3	Confident	224 Å²	224	82.4 Å²	82.4	97%	0.974	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47	106.4	173.2	-85	-177.2	174.6	177.5	0	110.2
107	G	58.4	Low	78.7	Confident	75 Å²	75	86 Å²	86	77%	0.773	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.2	-9.2	173	0	0	0	0	0	116.8	H105	H105-G107 PolarHBondContact O-N 3.42Å
108	K	66.4	Low	78.8	Confident	131 Å²	131	86 Å²	86	57%	0.57	43%	0.425	S	S	*	.			trans	-84.6	123.4	175.1	-75	-174.6	179.8	175.3	0	111.1	L102 H105	L102-K108 HydrophobicContact CD1-CB 4.42Å; H105-K108 HydrophobicContact CB-CB 4.21Å; H105-K108 HydrophobicContact CB-CD 4.03Å; H105-K108 HydrophobicContact CB-CG 4.2Å; H105-K108 PolarHBondContact O-N 3.1Å; H105-K108 VanDerWaalsContact O-N 3.08Å
109	K	80.3	Confident	78.7	Confident	88 Å²	88	87 Å²	87	38%	0.383	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.3	176	-70	-178.8	-175.7	176.6	0	109.1	F99 R100 L101 D129	F99-K109 HydrophobicContact CB-CB 4.01Å; F99-K109 HydrophobicContact CB-CD 4.24Å; F99-K109 HydrophobicContact CB-CG 4.41Å; F99-K109 HydrophobicContact CD1-CB 3.93Å; F99-K109 HydrophobicContact CG-CB 4.23Å; F99-K109 HydrophobicContact CG-CD 4.32Å; R100-K109 WeakPolarHBondContact O-CA 3.37Å; L101-K109 HydrophobicContact CD2-CG 4.12Å; K109-D129 IonicContact NZ-OD2 3.88Å; K109-D129 PolarHBondContact NZ-OD2 3.4Å
110	A	83.6	Confident	78.7	Confident	41 Å²	41	88.3 Å²	88.3	34%	0.339	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122	174.7	0	0	0	0	0	109.8	F99 R100	F99-A110 CarbonylContact C-O 3.57Å; F99-A110 VanDerWaalsContact CA-O 3.25Å; F99-A110 WeakPolarHBondContact CA-O 3.2Å; R100-A110 HydrophobicContact CB-CB 4.49Å; R100-A110 PolarHBondContact N-O 3.25Å; R100-A110 PolarHBondContact O-N 3.47Å; R100-A110 VanDerWaalsContact O-N 3.11Å
111	R	86.3	Confident	78.6	Confident	166 Å²	166	85.1 Å²	85.1	63%	0.626	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	132.5	177.8	-175.6	174.1	178.8	155.6	-0.7	110.1	F99	F99-R111 HydrophobicContact CD1-CB 4.1Å; F99-R111 HydrophobicContact CE1-CB 3.93Å; F99-R111 HydrophobicContact CE1-CG 4.33Å
112	L	88.8	Confident	78.8	Confident	21 Å²	21	86.2 Å²	86.2	11%	0.11	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	146.8	176.5	-63	175.7	0	0	0	110.8	L78 V98 R100 L121 L126	L78-L112 HydrophobicContact CD2-CB 3.85Å; L78-L112 HydrophobicContact CD2-CD1 4.12Å; V98-L112 HydrophobicContact CG1-CD1 4.37Å; V98-L112 PolarHBondContact O-N 3.32Å; R100-L112 HydrophobicContact CB-CD1 4.17Å; R100-L112 HydrophobicContact CB-CD2 4.34Å; R100-L112 HydrophobicContact CB-CG 4.29Å; L112-L121 HydrophobicContact CD1-CD1 3.83Å; L112-L121 HydrophobicContact CD1-CD2 4.11Å; L112-L121 HydrophobicContact CD2-CD2 4.48Å; L112-L126 HydrophobicContact CD1-CD1 4.36Å; L112-L126 HydrophobicContact CD1-CD2 3.63Å
113	D	86.8	Confident	79.1	Confident	95 Å²	95	84.8 Å²	84.8	51%	0.508	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-79.2	144.7	169.4	-167.8	-86.2	0	0	0	110.2	N115 T116	D113-N115 PolarHBondContact O-N 2.83Å; D113-N115 VanDerWaalsContact OD1-CB 3.27Å; D113-N115 WeakPolarHBondContact OD1-CB 3.38Å; D113-N115 PolarHBondContact OD1-N 2.93Å; D113-N115 PolarHBondContact OD1-ND2 3.04Å; D113-T116 PolarHBondContact N-OG1 2.87Å; D113-T116 VanDerWaalsContact O-CB 3.24Å; D113-T116 WeakPolarHBondContact O-CB 3.2Å; D113-T116 PolarHBondContact O-N 2.87Å; D113-T116 PolarHBondContact O-OG1 3.28Å
114	W	87.7	Confident	80.1	Confident	50 Å²	50	80.2 Å²	80.2	19%	0.189	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.6	179.1	-76.2	109.2	0	0	0	113.5	L78 H79 L82 L86 P93 C96 V98 T116	L78-W114 PolarHBondContact N-O 3.06Å; H79-W114 HydrophobicContact CB-CB 4.3Å; H79-W114 HydrophobicContact CB-CE3 4.15Å; H79-W114 WeakPolarHBondContact CB-O 3.21Å; H79-W114 PolarHBondContact N-O 3.49Å; L82-W114 HydrophobicContact CB-CZ3 4.18Å; L82-W114 HydrophobicContact CD1-CH2 4.43Å; L82-W114 HydrophobicContact CD1-CZ3 3.93Å; L86-W114 HydrophobicContact CD1-CH2 3.66Å; L86-W114 HydrophobicContact CD1-CZ3 4.05Å; P93-W114 HydrophobicContact CB-CD2 4.44Å; P93-W114 HydrophobicContact CB-CH2 4Å; P93-W114 HydrophobicContact CB-CZ2 3.82Å; P93-W114 HydrophobicContact CB-CZ3 4.36Å; P93-W114 WeakPolarHBondContact O-CZ2 3.48Å; C96-W114 HydrophobicContact CB-CH2 4.43Å; C96-W114 HydrophobicContact CB-CZ2 4.02Å; C96-W114 WeakPolarHBondContact O-CZ2 3.37Å; V98-W114 HydrophobicContact CG2-CD2 4.43Å; V98-W114 HydrophobicContact CG2-CE3 4.14Å; V98-W114 HydrophobicContact CG2-CH2 3.41Å; V98-W114 VanDerWaalsContact CG2-CH2 3.41Å; V98-W114 HydrophobicContact CG2-CZ2 3.75Å; V98-W114 HydrophobicContact CG2-CZ3 3.64Å; W114-T116 VanDerWaalsContact C-N 3.35Å
115	N	88.8	Confident	81.5	Confident	129 Å²	129	73.4 Å²	73.4	69%	0.69	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	0.2	176.4	-55	-56.8	0	0	0	113.4	D113 D117	D113-N115 PolarHBondContact O-N 2.83Å; D113-N115 VanDerWaalsContact OD1-CB 3.27Å; D113-N115 WeakPolarHBondContact OD1-CB 3.38Å; D113-N115 PolarHBondContact OD1-N 2.93Å; D113-N115 PolarHBondContact OD1-ND2 3.04Å; N115-D117 PolarHBondContact O-N 2.83Å
116	T	89.1	Confident	83.2	Confident	34 Å²	34	68.1 Å²	68.1	21%	0.209	37%	0.368	C	S	.	.	S	Bend	trans	-57	134.2	176.4	-53.4	0	0	0	0	109.8	L78 D113 W114 A118 L121	L78-T116 PolarHBondContact N-O 2.83Å; D113-T116 PolarHBondContact N-OG1 2.87Å; D113-T116 VanDerWaalsContact O-CB 3.24Å; D113-T116 WeakPolarHBondContact O-CB 3.2Å; D113-T116 PolarHBondContact O-N 2.87Å; D113-T116 PolarHBondContact O-OG1 3.28Å; W114-T116 VanDerWaalsContact C-N 3.35Å; T116-A118 PolarHBondContact O-N 2.96Å; T116-L121 HydrophobicContact CG2-CD1 4.2Å
117	D	90	Very high	85	Confident	78 Å²	78	59.6 Å²	59.6	42%	0.417	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-63.2	118.4	176.1	-179.9	10.9	0	0	0	110.2	N115 A119 S120	N115-D117 PolarHBondContact O-N 2.83Å; D117-A119 PolarHBondContact O-N 2.81Å; D117-A119 WeakPolarHBondContact OD1-CB 3.47Å; D117-A119 PolarHBondContact OD1-N 3.13Å; D117-S120 WeakPolarHBondContact O-CB 3.21Å; D117-S120 PolarHBondContact O-N 2.83Å; D117-S120 PolarHBondContact O-OG 3.42Å
118	A	88.5	Confident	86.3	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-65.1	-25.8	-179.1	0	0	0	0	0	112	I58 V72 M76 C81 T116 S120 L121	I58-A118 HydrophobicContact CD1-CB 4.37Å; V72-A118 HydrophobicContact CG1-CB 3.82Å; V72-A118 HydrophobicContact CG2-CB 4.36Å; M76-A118 HydrophobicContact CB-CB 4.47Å; M76-A118 VanDerWaalsContact O-CB 3.26Å; M76-A118 WeakPolarHBondContact O-CB 3.38Å; M76-A118 PolarHBondContact O-N 2.98Å; C81-A118 HydrophobicContact CB-CB 4.17Å; T116-A118 PolarHBondContact O-N 2.96Å; A118-S120 PolarHBondContact O-N 3.06Å; A118-L121 PolarHBondContact O-N 3.34Å
119	A	87.5	Confident	87.1	Confident	24 Å²	24	51.9 Å²	51.9	20%	0.198	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-62.7	-30.6	177.2	0	0	0	0	0	112.3	V72 D117 L121 I122	V72-A119 HydrophobicContact CG1-CB 4.4Å; D117-A119 PolarHBondContact O-N 2.81Å; D117-A119 WeakPolarHBondContact OD1-CB 3.47Å; D117-A119 PolarHBondContact OD1-N 3.13Å; A119-L121 PolarHBondContact O-N 2.79Å; A119-I122 HydrophobicContact CB-CD1 4.48Å; A119-I122 WeakPolarHBondContact O-CD1 3.46Å; A119-I122 WeakPolarHBondContact O-CG1 3.47Å
120	S	88	Confident	86.8	Confident	69 Å²	69	49.4 Å²	49.4	48%	0.483	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-71.9	-7.6	175.8	74.8	0	0	0	0	114.5	D117 A118	D117-S120 WeakPolarHBondContact O-CB 3.21Å; D117-S120 PolarHBondContact O-N 2.83Å; D117-S120 PolarHBondContact O-OG 3.42Å; A118-S120 PolarHBondContact O-N 3.06Å
121	L	88.2	Confident	86.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-113	5.9	-174.9	-58.8	172.8	0	0	0	112.5	I58 L78 L112 T116 A118 A119 G123 E124 L126	I58-L121 HydrophobicContact CD1-CB 3.68Å; I58-L121 HydrophobicContact CG1-CB 4.42Å; I58-L121 WeakPolarHBondContact CG1-O 3.45Å; L78-L121 HydrophobicContact CD1-CD1 3.94Å; L112-L121 HydrophobicContact CD1-CD1 3.83Å; L112-L121 HydrophobicContact CD1-CD2 4.11Å; L112-L121 HydrophobicContact CD2-CD2 4.48Å; T116-L121 HydrophobicContact CG2-CD1 4.2Å; A118-L121 PolarHBondContact O-N 3.34Å; A119-L121 PolarHBondContact O-N 2.79Å; L121-G123 PolarHBondContact O-N 2.94Å; L121-E124 VanDerWaalsContact O-CB 3.28Å; L121-E124 WeakPolarHBondContact O-CB 3.42Å; L121-E124 PolarHBondContact O-N 2.94Å; L121-E124 VanDerWaalsContact O-N 3.09Å; L121-L126 HydrophobicContact CD1-CD1 4.19Å
122	I	86.9	Confident	85.2	Confident	58 Å²	58	48.5 Å²	48.5	30%	0.297	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	128.6	-179.1	-68.4	170	0	0	0	110	N56 V72 A119 E124	N56-I122 HydrophobicContact CB-CD1 4.33Å; V72-I122 HydrophobicContact CB-CD1 4.32Å; V72-I122 HydrophobicContact CB-CG1 4.03Å; V72-I122 HydrophobicContact CG1-CD1 4.2Å; V72-I122 HydrophobicContact CG1-CG1 4.09Å; V72-I122 HydrophobicContact CG2-CG1 4.22Å; A119-I122 HydrophobicContact CB-CD1 4.48Å; A119-I122 WeakPolarHBondContact O-CD1 3.46Å; A119-I122 WeakPolarHBondContact O-CG1 3.47Å; I122-E124 VanDerWaalsContact C-N 3.31Å; I122-E124 PolarHBondContact O-N 2.86Å
123	G	83.2	Confident	83.8	Confident	50 Å²	50	52.4 Å²	52.4	52%	0.515	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	-15.1	-178.3	0	0	0	0	0	115.3	T57 L121	T57-G123 PolarHBondContact O-N 3.21Å; L121-G123 PolarHBondContact O-N 2.94Å
124	E	87.6	Confident	82.4	Confident	57 Å²	57	48.3 Å²	48.3	27%	0.266	27%	0.266	S	S	.	.			trans	-75	160.5	178.5	-65.1	-101.7	-170.5	0	0	112.4	R59 R100 L121 I122	R59-E124 PolarHBondContact N-O 2.87Å; R100-E124 VanDerWaalsContact CD-OE2 3.26Å; R100-E124 WeakPolarHBondContact CD-OE2 3.5Å; R100-E124 WeakPolarHBondContact CG-OE2 3.26Å; R100-E124 IonicContact NE-OE1 2.67Å; R100-E124 IonicContact NH1-OE1 3.93Å; L121-E124 VanDerWaalsContact O-CB 3.28Å; L121-E124 WeakPolarHBondContact O-CB 3.42Å; L121-E124 PolarHBondContact O-N 2.94Å; L121-E124 VanDerWaalsContact O-N 3.09Å; I122-E124 VanDerWaalsContact C-N 3.31Å; I122-E124 PolarHBondContact O-N 2.86Å
125	E	89	Confident	80.8	Confident	40 Å²	40	48.6 Å²	48.6	19%	0.187	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.6	169.3	-60.2	-161.4	149.4	0	0	110.4	R59 F61 L101	R59-E125 HydrophobicContact CB-CG 4.16Å; R59-E125 IonicContact CZ-OE1 3.84Å; R59-E125 IonicContact NE-OE1 3.58Å; R59-E125 WeakPolarHBondContact O-CA 3.47Å; F61-E125 HydrophobicContact CE2-CB 4.13Å; F61-E125 HydrophobicContact CE2-CG 4.47Å; L101-E125 HydrophobicContact CB-CB 4.33Å; L101-E125 WeakPolarHBondContact CB-O 3.28Å; L101-E125 HydrophobicContact CD1-CB 3.9Å; L101-E125 PolarHBondContact N-O 2.86Å
126	L	91.2	Very high	79.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	145.5	178.3	-55.1	-174.7	0	0	0	110.6	I58 R59 V60 F61 L78 V98 F99 R100 L112 L121	I58-L126 HydrophobicContact CG2-CD1 3.68Å; I58-L126 HydrophobicContact CG2-CG 3.68Å; R59-L126 PolarHBondContact O-N 2.81Å; V60-L126 CarbonylContact C-O 3.57Å; V60-L126 WeakPolarHBondContact CA-O 2.96Å; V60-L126 HydrophobicContact CG1-CB 4.44Å; V60-L126 HydrophobicContact CG2-CB 4.42Å; F61-L126 WeakPolarHBondContact CD2-O 3.39Å; F61-L126 PolarHBondContact N-O 2.51Å; L78-L126 HydrophobicContact CD1-CD1 3.6Å; V98-L126 HydrophobicContact CG1-CB 4.1Å; V98-L126 HydrophobicContact CG1-CD1 4.04Å; F99-L126 CarbonylContact O-C 3.54Å; F99-L126 VanDerWaalsContact O-CA 3.25Å; F99-L126 WeakPolarHBondContact O-CA 3.38Å; R100-L126 HydrophobicContact CB-CD2 4.2Å; R100-L126 HydrophobicContact CG-CD2 4.35Å; L112-L126 HydrophobicContact CD1-CD1 4.36Å; L112-L126 HydrophobicContact CD1-CD2 3.63Å; L121-L126 HydrophobicContact CD1-CD1 4.19Å
127	Q	89.3	Confident	78.1	Confident	45 Å²	45	46.7 Å²	46.7	21%	0.21	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.5	169.2	-175.3	172.4	-18.2	0	0	109.8	F61 V98 F99 L101 D129	F61-Q127 HydrophobicContact CB-CB 4.44Å; F61-Q127 HydrophobicContact CB-CG 4.33Å; F61-Q127 CarbonylContact O-C 3.48Å; F61-Q127 WeakPolarHBondContact O-CA 3.48Å; V98-Q127 CarbonylContact C-O 3.57Å; F99-Q127 PolarHBondContact N-O 3.07Å; F99-Q127 PolarHBondContact O-N 2.83Å; L101-Q127 HydrophobicContact CD1-CB 4.25Å; L101-Q127 HydrophobicContact CD2-CB 4.17Å; L101-Q127 HydrophobicContact CG-CB 4.21Å; Q127-D129 PolarHBondContact NE2-OD1 2.94Å; Q127-D129 PolarHBondContact NE2-OD2 3.41Å
128	V	86.1	Confident	77.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	115	170.8	-176	0	0	0	0	107.4	V60 F61 L62 P63 L82 L86 C96 A97 V98	V60-V128 HydrophobicContact CG1-CG2 3.7Å; F61-V128 PolarHBondContact O-N 3.2Å; L62-V128 HydrophobicContact CD2-CB 4.03Å; L62-V128 HydrophobicContact CD2-CG2 3.9Å; P63-V128 WeakPolarHBondContact CD-O 3.21Å; P63-V128 WeakPolarHBondContact CG-O 3.41Å; L82-V128 HydrophobicContact CD1-CG2 4.08Å; L86-V128 HydrophobicContact CD2-CG1 4.2Å; C96-V128 HydrophobicContact CB-CG1 3.61Å; A97-V128 WeakPolarHBondContact O-CA 3.4Å; V98-V128 HydrophobicContact CG1-CG2 4.23Å; V98-V128 HydrophobicContact CG2-CG2 4.19Å
129	D	81.7	Confident	76.4	Confident	44 Å²	44	49.5 Å²	49.5	24%	0.235	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	156	174.9	-69.9	-34.8	0	0	0	109.8	C96 A97 F99 K109 Q127	C96-D129 CarbonylContact C-O 3.52Å; C96-D129 VanDerWaalsContact CA-O 3.31Å; C96-D129 WeakPolarHBondContact CA-O 3.44Å; A97-D129 PolarHBondContact N-O 3.21Å; A97-D129 PolarHBondContact O-N 3.24Å; F99-D129 HydrophobicContact CD2-CB 4.31Å; F99-D129 HydrophobicContact CE2-CB 3.97Å; K109-D129 IonicContact NZ-OD2 3.88Å; K109-D129 PolarHBondContact NZ-OD2 3.4Å; Q127-D129 PolarHBondContact NE2-OD1 2.94Å; Q127-D129 PolarHBondContact NE2-OD2 3.41Å
130	F	75.3	Confident	76	Confident	37 Å²	37	52.4 Å²	52.4	16%	0.162	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	150.3	169.9	-68.3	-79.1	0	0	0	110.3	P63 L91 C95 L136 M183	P63-F130 HydrophobicContact CB-CD2 3.62Å; P63-F130 HydrophobicContact CB-CE2 3.16Å; P63-F130 HydrophobicContact CB-CZ 3.81Å; P63-F130 HydrophobicContact CG-CD2 3.9Å; P63-F130 HydrophobicContact CG-CE2 3.73Å; P63-F130 HydrophobicContact CG-CG 4.44Å; P63-F130 HydrophobicContact CG-CZ 4.08Å; L91-F130 HydrophobicContact CD2-CE1 3.53Å; L91-F130 HydrophobicContact CD2-CZ 3.41Å; L91-F130 VanDerWaalsContact CD2-CZ 3.41Å; C95-F130 HydrophobicContact CB-CD1 4.43Å; C95-F130 WeakPolarHBondContact O-CA 3.42Å; F130-L136 HydrophobicContact CB-CD1 3.57Å; F130-L136 HydrophobicContact CD1-CD1 3.83Å; F130-L136 HydrophobicContact CD1-CD2 3.86Å; F130-L136 HydrophobicContact CD1-CG 4.39Å; F130-L136 HydrophobicContact CD2-CD1 3.18Å; F130-L136 HydrophobicContact CD2-CD2 4.4Å; F130-L136 HydrophobicContact CD2-CG 4.39Å; F130-L136 HydrophobicContact CE1-CD1 4.23Å; F130-L136 HydrophobicContact CE1-CD2 3.69Å; F130-L136 HydrophobicContact CE2-CD1 3.62Å; F130-L136 HydrophobicContact CE2-CD2 4.22Å; F130-L136 HydrophobicContact CG-CD1 3.28Å; F130-L136 HydrophobicContact CG-CD2 4.21Å; F130-L136 HydrophobicContact CG-CG 4.28Å; F130-L136 HydrophobicContact CZ-CD1 4.13Å; F130-L136 HydrophobicContact CZ-CD2 3.88Å; F130-M183 HydrophobicContact CZ-CG 3.91Å
131	L	72.2	Confident	75.9	Confident	28 Å²	28	52.5 Å²	52.5	15%	0.147	29%	0.287	C	S	.	.			trans	-70	135.3	172.6	-69.7	162.4	0	0	0	109.4	E94 C95 A97 H133 V134 L194	E94-L131 WeakPolarHBondContact O-CD1 3.49Å; C95-L131 PolarHBondContact O-N 3.22Å; A97-L131 HydrophobicContact CB-CD2 3.81Å; A97-L131 HydrophobicContact CB-CG 4.37Å; L131-H133 PolarHBondContact O-N 3.07Å; L131-V134 HydrophobicContact CB-CG2 3.98Å; L131-V134 VanDerWaalsContact O-CB 3.3Å; L131-V134 WeakPolarHBondContact O-CB 3.33Å; L131-V134 VanDerWaalsContact O-CG2 3.29Å; L131-V134 WeakPolarHBondContact O-CG2 3.4Å; L131-V134 PolarHBondContact O-N 2.91Å; L131-L194 HydrophobicContact CB-CD2 4.32Å; L131-L194 HydrophobicContact CD1-CD2 3.14Å; L131-L194 HydrophobicContact CG-CD2 4.28Å
132	D	63.3	Low	75.7	Confident	160 Å²	160	53.9 Å²	53.9	86%	0.856	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-22.9	-172.5	-62.5	-41.7	0	0	0	113.8	V134	D132-V134 VanDerWaalsContact C-N 3.29Å; D132-V134 PolarHBondContact O-N 2.81Å
133	H	59.2	Low	75.8	Confident	102 Å²	102	59.4 Å²	59.4	47%	0.472	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	1.7	-179.1	-56.2	-38.6	0	0	0	114.6	L131 P135 L193	L131-H133 PolarHBondContact O-N 3.07Å; H133-P135 WeakPolarHBondContact O-CD 3.19Å; H133-L193 HydrophobicContact CB-CB 3.28Å; H133-L193 HydrophobicContact CB-CD1 3.66Å; H133-L193 HydrophobicContact CB-CD2 3.77Å; H133-L193 HydrophobicContact CB-CG 3.69Å; H133-L193 WeakPolarHBondContact O-CD1 3.41Å
134	V	56.9	Low	76.1	Confident	9 Å²	9	61.4 Å²	61.4	6%	0.055	31%	0.311	C	S	.	.	S	Bend	trans	-93.3	104.1	-179.5	179.8	0	0	0	0	108.1	C95 L131 D132 L136 I190	C95-V134 HydrophobicContact CB-CG2 4.43Å; L131-V134 HydrophobicContact CB-CG2 3.98Å; L131-V134 VanDerWaalsContact O-CB 3.3Å; L131-V134 WeakPolarHBondContact O-CB 3.33Å; L131-V134 VanDerWaalsContact O-CG2 3.29Å; L131-V134 WeakPolarHBondContact O-CG2 3.4Å; L131-V134 PolarHBondContact O-N 2.91Å; D132-V134 VanDerWaalsContact C-N 3.29Å; D132-V134 PolarHBondContact O-N 2.81Å; V134-L136 VanDerWaalsContact C-N 3.29Å; V134-L136 HydrophobicContact CB-CG 4.41Å; V134-L136 HydrophobicContact CG1-CD2 3.64Å; V134-L136 HydrophobicContact CG1-CG 3.82Å; V134-L136 WeakPolarHBondContact O-CG 3.43Å; V134-L136 PolarHBondContact O-N 2.94Å; V134-I190 HydrophobicContact CB-CD1 4.25Å; V134-I190 HydrophobicContact CB-CG1 3.97Å; V134-I190 HydrophobicContact CG1-CD1 3.33Å; V134-I190 HydrophobicContact CG1-CG1 3.59Å; V134-I190 HydrophobicContact CG1-CG2 4.45Å; V134-I190 HydrophobicContact CG2-CG1 4.04Å; V134-I190 HydrophobicContact CG2-CG2 3.88Å
135	P	55	Low	76.2	Confident	56 Å²	56	62.5 Å²	62.5	36%	0.364	32%	0.321	S	S	.	.			trans	-67.7	92.7	174.3	26.7	-33.9	0	0	0	108.9	H133 T137 N189	H133-P135 WeakPolarHBondContact O-CD 3.19Å; P135-T137 PolarHBondContact O-N 3.15Å; P135-N189 HydrophobicContact CG-CB 3.99Å
136	L	56.4	Low	76.2	Confident	59 Å²	59	61.3 Å²	61.3	31%	0.309	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	110.6	177.5	-69.1	165.2	0	0	0	108.4	F130 V134 M183	F130-L136 HydrophobicContact CB-CD1 3.57Å; F130-L136 HydrophobicContact CD1-CD1 3.83Å; F130-L136 HydrophobicContact CD1-CD2 3.86Å; F130-L136 HydrophobicContact CD1-CG 4.39Å; F130-L136 HydrophobicContact CD2-CD1 3.18Å; F130-L136 HydrophobicContact CD2-CD2 4.4Å; F130-L136 HydrophobicContact CD2-CG 4.39Å; F130-L136 HydrophobicContact CE1-CD1 4.23Å; F130-L136 HydrophobicContact CE1-CD2 3.69Å; F130-L136 HydrophobicContact CE2-CD1 3.62Å; F130-L136 HydrophobicContact CE2-CD2 4.22Å; F130-L136 HydrophobicContact CG-CD1 3.28Å; F130-L136 HydrophobicContact CG-CD2 4.21Å; F130-L136 HydrophobicContact CG-CG 4.28Å; F130-L136 HydrophobicContact CZ-CD1 4.13Å; F130-L136 HydrophobicContact CZ-CD2 3.88Å; V134-L136 VanDerWaalsContact C-N 3.29Å; V134-L136 HydrophobicContact CB-CG 4.41Å; V134-L136 HydrophobicContact CG1-CD2 3.64Å; V134-L136 HydrophobicContact CG1-CG 3.82Å; V134-L136 WeakPolarHBondContact O-CG 3.43Å; V134-L136 PolarHBondContact O-N 2.94Å; L136-M183 HydrophobicContact CB-CE 3.66Å; L136-M183 HydrophobicContact CD1-CE 4.49Å; L136-M183 HydrophobicContact CD2-CB 4.15Å; L136-M183 HydrophobicContact CD2-CE 3.85Å; L136-M183 HydrophobicContact CD2-CG 4.15Å; L136-M183 HydrophobicContact CG-CE 4.19Å
137	T	64	Low	75.9	Confident	64 Å²	64	68 Å²	68	39%	0.393	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	150.5	164.9	58	0	0	0	0	108.8	P135 C184	P135-T137 PolarHBondContact O-N 3.15Å; T137-C184 WeakPolarHBondContact O-CA 3.34Å; T137-C184 WeakPolarHBondContact O-CB 3.4Å; T137-C184 PolarHBondContact O-N 3.08Å; T137-C184 WeakPolarHBondContact OG1-CB 3.25Å; T137-C184 PolarHBondContact OG1-O 3.05Å
138	T	68.9	Low	75.6	Confident	111 Å²	111	71 Å²	71	68%	0.681	36%	0.363	S	S	*	.			trans	-72.6	148.7	165.3	47.8	0	0	0	0	108.8	N140	T138-N140 PolarHBondContact O-N 3.29Å
139	H	73.3	Confident	75.5	Confident	27 Å²	27	74.7 Å²	74.7	13%	0.125	38%	0.382	C	S	.	.			trans	-66.2	126.7	173.7	-78.1	-79.5	0	0	0	110.7	F141 C165 C168 P181 M183 C184	H139-F141 HydrophobicContact CB-CD1 4.09Å; H139-F141 HydrophobicContact CB-CD2 3.67Å; H139-F141 HydrophobicContact CB-CE1 3.63Å; H139-F141 HydrophobicContact CB-CE2 3.18Å; H139-F141 HydrophobicContact CB-CG 4.1Å; H139-F141 HydrophobicContact CB-CZ 3.14Å; H139-F141 AromaticContact CD2-CZ 3.51Å; H139-F141 AromaticContact CG-CE1 3.64Å; H139-F141 AromaticContact CG-CE2 3.69Å; H139-F141 AromaticContact CG-CZ 3.13Å; H139-F141 AromaticContact ND1-CE1 3.58Å; H139-F141 AromaticContact ND1-CZ 3.52Å; H139-F141 PolarHBondContact O-N 2.83Å; H139-C165 PolarHBondContact ND1-SG 3.42Å; H139-C165 VanDerWaalsContact ND1-SG 3.36Å; H139-C168 PolarHBondContact CE1-SG 2.8Å; H139-P181 PolarHBondContact CD2-O 3.26Å; H139-P181 VanDerWaalsContact CD2-O 3.32Å; H139-P181 PolarHBondContact NE2-O 3.2Å; H139-M183 VanDerWaalsContact CD2-C 3.47Å; H139-M183 PolarHBondContact NE2-O 3.17Å; H139-C184 HydrophobicContact CB-CB 4.24Å; H139-C184 PolarHBondContact CD2-N 3.33Å
140	N	79	Confident	75.8	Confident	84 Å²	84	72.6 Å²	72.6	45%	0.449	37%	0.371	S	S	.	.			trans	-91.2	86.9	166.2	-179.1	4.3	0	0	0	109.1	T138 C165 Q166	T138-N140 PolarHBondContact O-N 3.29Å; N140-C165 CarbonylContact O-C 3.58Å; N140-C165 WeakPolarHBondContact O-CA 3.41Å; N140-Q166 PolarHBondContact ND2-OE1 2.93Å; N140-Q166 VanDerWaalsContact ND2-OE1 3.09Å; N140-Q166 PolarHBondContact O-N 2.9Å
141	F	86.1	Confident	76.5	Confident	71 Å²	71	72.2 Å²	72.2	31%	0.311	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.7	-179	-65.2	-57.3	0	0	0	111.9	H139 C165 F172 V180	H139-F141 HydrophobicContact CB-CD1 4.09Å; H139-F141 HydrophobicContact CB-CD2 3.67Å; H139-F141 HydrophobicContact CB-CE1 3.63Å; H139-F141 HydrophobicContact CB-CE2 3.18Å; H139-F141 HydrophobicContact CB-CG 4.1Å; H139-F141 HydrophobicContact CB-CZ 3.14Å; H139-F141 AromaticContact CD2-CZ 3.51Å; H139-F141 AromaticContact CG-CE1 3.64Å; H139-F141 AromaticContact CG-CE2 3.69Å; H139-F141 AromaticContact CG-CZ 3.13Å; H139-F141 AromaticContact ND1-CE1 3.58Å; H139-F141 AromaticContact ND1-CZ 3.52Å; H139-F141 PolarHBondContact O-N 2.83Å; F141-C165 HydrophobicContact CD1-CB 3.81Å; F141-C165 HydrophobicContact CE1-CB 3.72Å; F141-F172 AromaticContact CD1-CE1 3.7Å; F141-F172 HydrophobicContact CD1-CE1 3.7Å; F141-F172 HydrophobicContact CD1-CZ 4.36Å; F141-F172 HydrophobicContact CE1-CD1 4.38Å; F141-F172 AromaticContact CE1-CE1 3.52Å; F141-F172 HydrophobicContact CE1-CE1 3.52Å; F141-F172 HydrophobicContact CE1-CZ 4.34Å; F141-F172 HydrophobicContact CE2-CE1 4.39Å; F141-F172 HydrophobicContact CE2-CZ 4.48Å; F141-F172 HydrophobicContact CG-CE1 4.25Å; F141-F172 HydrophobicContact CG-CZ 4.47Å; F141-F172 AromaticContact CZ-CE1 3.89Å; F141-F172 HydrophobicContact CZ-CE1 3.89Å; F141-F172 HydrophobicContact CZ-CZ 4.4Å; F141-V180 HydrophobicContact CE1-CG1 4.33Å; F141-V180 HydrophobicContact CE2-CG1 4.15Å; F141-V180 HydrophobicContact CZ-CG1 3.49Å; F141-V180 VanDerWaalsContact CZ-CG1 3.49Å
142	A	84	Confident	77.4	Confident	30 Å²	30	70.9 Å²	70.9	25%	0.248	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	138.7	167.3	0	0	0	0	0	110.2	K144 F163 R164 Q166	A142-K144 PolarHBondContact O-N 3.23Å; A142-F163 WeakPolarHBondContact O-CA 3.37Å; A142-R164 PolarHBondContact N-O 3.01Å; A142-R164 PolarHBondContact O-N 3.07Å; A142-Q166 HydrophobicContact CB-CG 4.07Å
143	R	90.8	Very high	78.5	Confident	174 Å²	174	64.3 Å²	64.3	66%	0.657	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	132	169.3	-172.7	172.6	-90.5	-176.5	-7.2	108.2	G162 F163 E174	R143-G162 CarbonylContact C-O 3.58Å; R143-G162 WeakPolarHBondContact CA-O 3.43Å; R143-F163 HydrophobicContact CB-CD1 4.28Å; R143-F163 HydrophobicContact CB-CE1 4.15Å; R143-E174 IonicContact NH2-OE1 3.04Å; R143-E174 PolarHBondContact NH2-OE1 2.91Å; R143-E174 IonicContact NH2-OE2 2.93Å
144	K	88.1	Confident	79.9	Confident	92 Å²	92	61.3 Å²	61.3	40%	0.4	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	135.8	-175.4	-171.9	169.5	-176.7	172	0	111	A142 F146 G162 R164	A142-K144 PolarHBondContact O-N 3.23Å; K144-F146 HydrophobicContact CB-CE2 4.08Å; K144-F146 HydrophobicContact CB-CZ 4.25Å; K144-F146 HydrophobicContact CD-CD1 4.44Å; K144-F146 HydrophobicContact CD-CE1 4.01Å; K144-F146 HydrophobicContact CD-CZ 4.12Å; K144-F146 HydrophobicContact CG-CE1 4.47Å; K144-F146 HydrophobicContact CG-CE2 4.29Å; K144-F146 HydrophobicContact CG-CZ 4.28Å; K144-G162 PolarHBondContact N-O 3.2Å; K144-G162 PolarHBondContact O-N 2.79Å; K144-G162 VanDerWaalsContact O-N 3.15Å; K144-R164 HydrophobicContact CB-CB 4.42Å; K144-R164 HydrophobicContact CD-CB 4.32Å
145	T	90.8	Very high	81.4	Confident	79 Å²	79	62.9 Å²	62.9	49%	0.485	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.8	164.3	-59.9	0	0	0	0	108.9	L147 L160 N161	T145-L147 HydrophobicContact CG2-CD2 4.12Å; T145-L160 CarbonylContact C-O 3.5Å; T145-L160 WeakPolarHBondContact CA-O 3.19Å; T145-N161 WeakPolarHBondContact CB-OD1 3.4Å; T145-N161 WeakPolarHBondContact CG2-OD1 3.45Å; T145-N161 PolarHBondContact OG1-OD1 3.13Å
146	F	87.3	Confident	82.9	Confident	15 Å²	15	63.2 Å²	63.2	7%	0.066	32%	0.322	C	S	.	.			trans	-97.9	99.3	-178.9	-63.3	-95.8	0	0	0	109	K144 K148 A150 L159 L160 R164 K171	K144-F146 HydrophobicContact CB-CE2 4.08Å; K144-F146 HydrophobicContact CB-CZ 4.25Å; K144-F146 HydrophobicContact CD-CD1 4.44Å; K144-F146 HydrophobicContact CD-CE1 4.01Å; K144-F146 HydrophobicContact CD-CZ 4.12Å; K144-F146 HydrophobicContact CG-CE1 4.47Å; K144-F146 HydrophobicContact CG-CE2 4.29Å; K144-F146 HydrophobicContact CG-CZ 4.28Å; F146-K148 PolarHBondContact O-N 2.83Å; F146-A150 HydrophobicContact CB-CB 3.88Å; F146-A150 HydrophobicContact CD1-CB 3.63Å; F146-A150 HydrophobicContact CE1-CB 4.31Å; F146-A150 HydrophobicContact CG-CB 3.83Å; F146-L159 WeakPolarHBondContact CB-O 3.48Å; F146-L159 HydrophobicContact CD2-CD2 4Å; F146-L159 HydrophobicContact CD2-CG 3.89Å; F146-L159 HydrophobicContact CE2-CD2 3.51Å; F146-L159 HydrophobicContact CE2-CG 3.86Å; F146-L159 HydrophobicContact CZ-CD2 3.88Å; F146-L160 PolarHBondContact N-O 3.38Å; F146-R164 HydrophobicContact CZ-CB 4.09Å; F146-K171 HydrophobicContact CE1-CB 4.4Å; F146-K171 HydrophobicContact CE1-CD 4.13Å; F146-K171 HydrophobicContact CZ-CB 3.86Å; F146-K171 HydrophobicContact CZ-CD 4.4Å
147	L	85.5	Confident	84.5	Confident	140 Å²	140	67.4 Å²	67.4	73%	0.733	34%	0.338	S	S	*	.	S	Bend	trans	-74.2	-17.4	176.6	-59.3	178.5	0	0	0	113	T145	T145-L147 HydrophobicContact CG2-CD2 4.12Å
148	K	82.8	Confident	85.8	Confident	108 Å²	108	66.8 Å²	66.8	47%	0.47	33%	0.33	S	S	.	.	S	Bend	trans	-101.7	154.5	171.4	-65.6	-171.3	176.1	-172.6	0	109.7	F146 A150 L608 H611	F146-K148 PolarHBondContact O-N 2.83Å; K148-A150 PolarHBondContact O-N 3.15Å; K148-A150 VanDerWaalsContact O-N 3.15Å; K148-L608 HydrophobicContact CB-CD2 4.21Å; K148-H611 PolarHBondContact NZ-CD2 2.94Å; K148-H611 PolarHBondContact NZ-CE1 3.37Å; K148-H611 VanDerWaalsContact NZ-CE1 3.33Å; K148-H611 PolarHBondContact NZ-ND1 2.87Å; K148-H611 PolarHBondContact NZ-NE2 3.5Å
149	L	85.4	Confident	86.8	Confident	78 Å²	78	61.5 Å²	61.5	41%	0.408	30%	0.297	S	S	.	.			trans	-52.9	120.3	177.2	-172.8	70.2	0	0	0	110.2	F151 F158 S604	L149-F151 HydrophobicContact CD1-CE2 4.36Å; L149-F151 HydrophobicContact CD1-CZ 4.19Å; L149-F151 HydrophobicContact CD2-CE2 3.96Å; L149-F151 HydrophobicContact CD2-CZ 4.15Å; L149-F151 HydrophobicContact CG-CE2 3.86Å; L149-F151 HydrophobicContact CG-CZ 4.15Å; L149-F158 HydrophobicContact CD1-CD2 3.62Å; L149-F158 HydrophobicContact CD1-CE2 3.73Å; L149-S604 PolarHBondContact O-OG 2.78Å
150	A	88.3	Confident	87.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.312	C	S	.	.			trans	-141	152.7	178.1	0	0	0	0	0	109.5	F146 K148 L159 L608	F146-A150 HydrophobicContact CB-CB 3.88Å; F146-A150 HydrophobicContact CD1-CB 3.63Å; F146-A150 HydrophobicContact CE1-CB 4.31Å; F146-A150 HydrophobicContact CG-CB 3.83Å; K148-A150 PolarHBondContact O-N 3.15Å; K148-A150 VanDerWaalsContact O-N 3.15Å; A150-L159 PolarHBondContact O-N 2.79Å; A150-L608 HydrophobicContact CB-CD1 4.34Å
151	F	89.9	Confident	88.3	Confident	30 Å²	30	64.7 Å²	64.7	13%	0.132	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-122	147.5	178.9	-63.3	-90.6	0	0	0	110.8	L149 D153 K157 K171 Q601	L149-F151 HydrophobicContact CD1-CE2 4.36Å; L149-F151 HydrophobicContact CD1-CZ 4.19Å; L149-F151 HydrophobicContact CD2-CE2 3.96Å; L149-F151 HydrophobicContact CD2-CZ 4.15Å; L149-F151 HydrophobicContact CG-CE2 3.86Å; L149-F151 HydrophobicContact CG-CZ 4.15Å; F151-D153 PolarHBondContact O-N 3.04Å; F151-K157 WeakPolarHBondContact CA-O 3.48Å; F151-K171 WeakPolarHBondContact O-CE 3.5Å; F151-K171 PolarHBondContact O-NZ 3.49Å; F151-Q601 HydrophobicContact CB-CG 4.19Å; F151-Q601 HydrophobicContact CD1-CG 3.98Å; F151-Q601 HydrophobicContact CD2-CB 4.39Å; F151-Q601 HydrophobicContact CD2-CG 3.97Å; F151-Q601 HydrophobicContact CE1-CG 4.36Å; F151-Q601 HydrophobicContact CE2-CG 4.34Å; F151-Q601 HydrophobicContact CG-CG 3.78Å
152	C	90.7	Very high	88.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.302	C	S	.	.			trans	-70.5	127.2	173	173.1	0	0	0	0	110	I154 C155 Q156 K157 F172 H173 C176	C152-I154 PolarHBondContact O-N 3.15Å; C152-I154 PolarHBondContact SG-N 2.95Å; C152-C155 VanDerWaalsContact CB-SG 3.58Å; C152-C155 VanDerWaalsContact SG-SG 3.62Å; C152-Q156 WeakPolarHBondContact O-CA 3.42Å; C152-Q156 PolarHBondContact O-N 3.28Å; C152-K157 PolarHBondContact N-O 3.47Å; C152-F172 VanDerWaalsContact SG-CA 3.57Å; C152-H173 WeakPolarHBondContact CB-CE1 3.27Å; C152-H173 WeakPolarHBondContact CB-ND1 3.3Å; C152-H173 PolarHBondContact SG-ND1 3.42Å; C152-H173 VanDerWaalsContact SG-ND1 3.41Å; C152-C176 VanDerWaalsContact SG-SG 3.69Å
153	D	86.7	Confident	88.9	Confident	21 Å²	21	62.2 Å²	62.2	11%	0.112	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.4	-178	-67	-15.4	0	0	0	113.5	F151 Q156 Y170 K171 R583	F151-D153 PolarHBondContact O-N 3.04Å; D153-Q156 PolarHBondContact O-NE2 3.3Å; D153-Y170 HydrophobicContact CB-CD1 4.42Å; D153-Y170 HydrophobicContact CB-CD2 4.47Å; D153-Y170 HydrophobicContact CB-CE1 4Å; D153-Y170 HydrophobicContact CB-CE2 4.05Å; D153-Y170 WeakPolarHBondContact OD2-CA 3.38Å; D153-K171 VanDerWaalsContact CB-O 3.3Å; D153-K171 WeakPolarHBondContact CB-O 3.37Å; D153-K171 VanDerWaalsContact CG-O 3.28Å; D153-K171 PolarHBondContact N-O 2.75Å; D153-K171 WeakPolarHBondContact OD1-CG 3.5Å; D153-K171 IonicContact OD1-NZ 2.66Å; D153-K171 PolarHBondContact OD1-NZ 3.44Å; D153-K171 PolarHBondContact OD2-N 3.49Å; D153-R583 IonicContact OD1-NH2 2.72Å; D153-R583 IonicContact OD2-CZ 3.81Å; D153-R583 VanDerWaalsContact OD2-CZ 3.23Å; D153-R583 IonicContact OD2-NH1 3.87Å; D153-R583 PolarHBondContact OD2-NH1 3.19Å; D153-R583 IonicContact OD2-NH2 3.72Å; D153-R583 PolarHBondContact OD2-NH2 3.35Å
154	I	86.9	Confident	88.6	Confident	39 Å²	39	58.1 Å²	58.1	20%	0.2	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-61.9	-178.3	-63.5	173.9	0	0	0	110.7	C152 Y170 F172 C176 K179 V180	C152-I154 PolarHBondContact O-N 3.15Å; C152-I154 PolarHBondContact SG-N 2.95Å; I154-Y170 HydrophobicContact CD1-CE1 4.16Å; I154-Y170 HydrophobicContact CG1-CE1 4.07Å; I154-Y170 WeakPolarHBondContact CG1-OH 3.38Å; I154-F172 HydrophobicContact CD1-CB 3.89Å; I154-F172 HydrophobicContact CD1-CG 4.39Å; I154-F172 HydrophobicContact CG1-CB 4.39Å; I154-C176 HydrophobicContact CB-CB 4.06Å; I154-C176 HydrophobicContact CD1-CB 3.89Å; I154-C176 WeakPolarHBondContact CD1-O 3.39Å; I154-C176 HydrophobicContact CG2-CB 4.11Å; I154-K179 HydrophobicContact CD1-CB 4.09Å; I154-K179 HydrophobicContact CG2-CB 3.72Å; I154-K179 HydrophobicContact CG2-CD 3.75Å; I154-K179 HydrophobicContact CG2-CG 4.38Å; I154-V180 HydrophobicContact CD1-CB 4.31Å; I154-V180 HydrophobicContact CD1-CG2 3.48Å; I154-V180 VanDerWaalsContact CD1-CG2 3.48Å
155	C	88.6	Confident	88.4	Confident	42 Å²	42	53.7 Å²	53.7	28%	0.284	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-6.4	-175.8	74	0	0	0	0	113.2	C152 K157 H173	C152-C155 VanDerWaalsContact CB-SG 3.58Å; C152-C155 VanDerWaalsContact SG-SG 3.62Å; C155-K157 PolarHBondContact O-N 2.74Å; C155-K157 VanDerWaalsContact O-N 3.09Å; C155-H173 PolarHBondContact SG-CE1 3.03Å; C155-H173 PolarHBondContact SG-ND1 3.17Å
156	Q	86.8	Confident	87.7	Confident	63 Å²	63	55.5 Å²	55.5	29%	0.294	27%	0.268	S	S	.	.			trans	62.8	15.7	175.9	-64.5	-62.6	-16.9	0	0	114.3	C152 D153 Q601	C152-Q156 WeakPolarHBondContact O-CA 3.42Å; C152-Q156 PolarHBondContact O-N 3.28Å; D153-Q156 PolarHBondContact O-NE2 3.3Å; Q156-Q601 PolarHBondContact O-NE2 2.67Å; Q156-Q601 VanDerWaalsContact OE1-CD 3.31Å
157	K	90.1	Very high	86.8	Confident	148 Å²	148	58.3 Å²	58.3	64%	0.643	29%	0.286	S	S	*	.	S	Bend	trans	-95.7	160.8	175.7	-59.9	-178.5	-178.1	-177.4	0	112.1	F151 C152 C155 L159	F151-K157 WeakPolarHBondContact CA-O 3.48Å; C152-K157 PolarHBondContact N-O 3.47Å; C155-K157 PolarHBondContact O-N 2.74Å; C155-K157 VanDerWaalsContact O-N 3.09Å; K157-L159 PolarHBondContact O-N 2.86Å
158	F	90.9	Very high	86.2	Confident	51 Å²	51	53.3 Å²	53.3	22%	0.224	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-50.8	132.9	177.3	176.5	-110.7	0	0	0	112.4	L149 L160 H173 T258	L149-F158 HydrophobicContact CD1-CD2 3.62Å; L149-F158 HydrophobicContact CD1-CE2 3.73Å; F158-L160 HydrophobicContact CE1-CB 3.77Å; F158-L160 HydrophobicContact CZ-CB 4.17Å; F158-L160 HydrophobicContact CZ-CD1 4.44Å; F158-H173 PolarHBondContact O-CE1 3.21Å; F158-H173 PolarHBondContact O-NE2 2.78Å; F158-T258 HydrophobicContact CD1-CG2 4.03Å
159	L	90.5	Very high	85.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	C	.	.			trans	-120.6	99.9	-175.3	-179.7	66	0	0	0	109.8	F146 A150 K157 N161 K171 H173	F146-L159 WeakPolarHBondContact CB-O 3.48Å; F146-L159 HydrophobicContact CD2-CD2 4Å; F146-L159 HydrophobicContact CD2-CG 3.89Å; F146-L159 HydrophobicContact CE2-CD2 3.51Å; F146-L159 HydrophobicContact CE2-CG 3.86Å; F146-L159 HydrophobicContact CZ-CD2 3.88Å; A150-L159 PolarHBondContact O-N 2.79Å; K157-L159 PolarHBondContact O-N 2.86Å; L159-N161 WeakPolarHBondContact CD1-O 3.3Å; L159-K171 HydrophobicContact CD2-CB 3.89Å; L159-K171 HydrophobicContact CD2-CG 4.25Å; L159-H173 HydrophobicContact CD1-CB 4.38Å; L159-H173 WeakPolarHBondContact CD1-CD2 3.4Å
160	L	91.9	Very high	85.8	Confident	83 Å²	83	47.1 Å²	47.1	44%	0.435	24%	0.237	S	C	.	.	S	Bend	trans	-86.5	-51.9	171.9	-178.7	62.2	0	0	0	111.4	T145 F146 F158	T145-L160 CarbonylContact C-O 3.5Å; T145-L160 WeakPolarHBondContact CA-O 3.19Å; F146-L160 PolarHBondContact N-O 3.38Å; F158-L160 HydrophobicContact CE1-CB 3.77Å; F158-L160 HydrophobicContact CZ-CB 4.17Å; F158-L160 HydrophobicContact CZ-CD1 4.44Å
161	N	91.7	Very high	85.8	Confident	95 Å²	95	48 Å²	48	51%	0.508	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.6	178.6	-68.9	-35.7	0	0	0	109.6	T145 L159	T145-N161 WeakPolarHBondContact CB-OD1 3.4Å; T145-N161 WeakPolarHBondContact CG2-OD1 3.45Å; T145-N161 PolarHBondContact OG1-OD1 3.13Å; L159-N161 WeakPolarHBondContact CD1-O 3.3Å
162	G	92.1	Very high	85.9	Confident	5 Å²	5	47 Å²	47	5%	0.052	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.9	-147	174.3	0	0	0	0	0	111.5	R143 K144 F172	R143-G162 CarbonylContact C-O 3.58Å; R143-G162 WeakPolarHBondContact CA-O 3.43Å; K144-G162 PolarHBondContact N-O 3.2Å; K144-G162 PolarHBondContact O-N 2.79Å; K144-G162 VanDerWaalsContact O-N 3.15Å; G162-F172 WeakPolarHBondContact CA-O 3.5Å
163	F	90.3	Very high	86	Confident	44 Å²	44	48.1 Å²	48.1	19%	0.193	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.9	-177.6	-62.7	-88	0	0	0	110.2	A142 R143 K171 F172 E174	A142-F163 WeakPolarHBondContact O-CA 3.37Å; R143-F163 HydrophobicContact CB-CD1 4.28Å; R143-F163 HydrophobicContact CB-CE1 4.15Å; F163-K171 VanDerWaalsContact O-CA 3.23Å; F163-K171 WeakPolarHBondContact O-CA 3.35Å; F163-F172 HydrophobicContact CB-CD1 4.13Å; F163-F172 HydrophobicContact CB-CE1 3.49Å; F163-F172 VanDerWaalsContact CB-CE1 3.49Å; F163-F172 HydrophobicContact CB-CE2 4.03Å; F163-F172 HydrophobicContact CB-CZ 3.42Å; F163-F172 VanDerWaalsContact CB-CZ 3.42Å; F163-F172 AromaticContact CD2-CE2 3.8Å; F163-F172 HydrophobicContact CD2-CE2 3.8Å; F163-F172 AromaticContact CD2-CZ 3.94Å; F163-F172 HydrophobicContact CD2-CZ 3.94Å; F163-F172 HydrophobicContact CG-CE1 4.42Å; F163-F172 HydrophobicContact CG-CE2 4.21Å; F163-F172 AromaticContact CG-CZ 3.87Å; F163-F172 HydrophobicContact CG-CZ 3.87Å; F163-F172 PolarHBondContact N-O 2.84Å; F163-F172 PolarHBondContact O-N 2.91Å; F163-E174 HydrophobicContact CE2-CB 3.88Å; F163-E174 HydrophobicContact CE2-CG 3.98Å
164	R	86.1	Confident	86.2	Confident	87 Å²	87	52 Å²	52	33%	0.328	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.3	171.7	-175.5	178	174.4	-90.9	3.4	109.7	A142 K144 F146 Q166 Y170	A142-R164 PolarHBondContact N-O 3.01Å; A142-R164 PolarHBondContact O-N 3.07Å; K144-R164 HydrophobicContact CB-CB 4.42Å; K144-R164 HydrophobicContact CD-CB 4.32Å; F146-R164 HydrophobicContact CZ-CB 4.09Å; R164-Q166 PolarHBondContact O-N 3.11Å; R164-Y170 CarbonylContact C-O 3.47Å; R164-Y170 VanDerWaalsContact CA-O 3.28Å; R164-Y170 WeakPolarHBondContact CA-O 3.29Å
165	C	82.3	Confident	86.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	125.1	168.5	-175.9	0	0	0	0	109.2	H139 N140 F141 T167 C168 G169 Y170	H139-C165 PolarHBondContact ND1-SG 3.42Å; H139-C165 VanDerWaalsContact ND1-SG 3.36Å; N140-C165 CarbonylContact O-C 3.58Å; N140-C165 WeakPolarHBondContact O-CA 3.41Å; F141-C165 HydrophobicContact CD1-CB 3.81Å; F141-C165 HydrophobicContact CE1-CB 3.72Å; C165-T167 PolarHBondContact O-N 2.81Å; C165-T167 PolarHBondContact SG-N 2.83Å; C165-T167 VanDerWaalsContact SG-N 3.45Å; C165-C168 WeakPolarHBondContact CB-SG 3.18Å; C165-C168 PolarHBondContact SG-N 2.98Å; C165-C168 PolarHBondContact SG-SG 3.18Å; C165-G169 WeakPolarHBondContact O-CA 3.39Å; C165-G169 PolarHBondContact O-N 2.99Å; C165-Y170 PolarHBondContact N-O 2.86Å
166	Q	77.1	Confident	86.5	Confident	116 Å²	116	53.1 Å²	53.1	54%	0.542	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-27.8	177.3	-64.5	-173.8	-11.4	0	0	111.9	N140 A142 R164	N140-Q166 PolarHBondContact ND2-OE1 2.93Å; N140-Q166 VanDerWaalsContact ND2-OE1 3.09Å; N140-Q166 PolarHBondContact O-N 2.9Å; A142-Q166 HydrophobicContact CB-CG 4.07Å; R164-Q166 PolarHBondContact O-N 3.11Å
167	T	69.3	Low	86.5	Confident	74 Å²	74	53 Å²	53	45%	0.454	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-56.7	-178.2	-43.6	0	0	0	0	113	C165	C165-T167 PolarHBondContact O-N 2.81Å; C165-T167 PolarHBondContact SG-N 2.83Å; C165-T167 VanDerWaalsContact SG-N 3.45Å
168	C	70.8	Confident	86.2	Confident	36 Å²	36	52 Å²	52	24%	0.243	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-5.1	-174.9	67.3	0	0	0	0	114.1	H139 C165 Y170	H139-C168 PolarHBondContact CE1-SG 2.8Å; C165-C168 WeakPolarHBondContact CB-SG 3.18Å; C165-C168 PolarHBondContact SG-N 2.98Å; C165-C168 PolarHBondContact SG-SG 3.18Å; C168-Y170 PolarHBondContact O-N 2.98Å; C168-Y170 VanDerWaalsContact SG-CB 3.58Å
169	G	78	Confident	85.8	Confident	19 Å²	19	56.9 Å²	56.9	20%	0.196	29%	0.294	C	S	.	.			trans	75.9	0.2	179.9	0	0	0	0	0	115.5	C165 K171	C165-G169 WeakPolarHBondContact O-CA 3.39Å; C165-G169 PolarHBondContact O-N 2.99Å; G169-K171 PolarHBondContact O-N 3.41Å
170	Y	82.1	Confident	85.2	Confident	36 Å²	36	57.9 Å²	57.9	14%	0.141	30%	0.3	C	S	.	.			trans	-55.9	125.4	-179	-160.2	-84	0	0	0	111.7	D153 I154 R164 C165 C168 F172 V180 R583	D153-Y170 HydrophobicContact CB-CD1 4.42Å; D153-Y170 HydrophobicContact CB-CD2 4.47Å; D153-Y170 HydrophobicContact CB-CE1 4Å; D153-Y170 HydrophobicContact CB-CE2 4.05Å; D153-Y170 WeakPolarHBondContact OD2-CA 3.38Å; I154-Y170 HydrophobicContact CD1-CE1 4.16Å; I154-Y170 HydrophobicContact CG1-CE1 4.07Å; I154-Y170 WeakPolarHBondContact CG1-OH 3.38Å; R164-Y170 CarbonylContact C-O 3.47Å; R164-Y170 VanDerWaalsContact CA-O 3.28Å; R164-Y170 WeakPolarHBondContact CA-O 3.29Å; C165-Y170 PolarHBondContact N-O 2.86Å; C168-Y170 PolarHBondContact O-N 2.98Å; C168-Y170 VanDerWaalsContact SG-CB 3.58Å; Y170-F172 HydrophobicContact CD1-CD1 4.15Å; Y170-V180 HydrophobicContact CD1-CG1 4.34Å; Y170-V180 HydrophobicContact CE1-CG1 4.24Å; Y170-R583 VanDerWaalsContact CD2-CZ 3.42Å; Y170-R583 VanDerWaalsContact CD2-NH2 3.28Å
171	K	88.6	Confident	84.4	Confident	20 Å²	20	55.8 Å²	55.8	9%	0.087	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.4	-168.1	58	-171.7	-158.7	-49.2	0	112.2	F146 F151 D153 L159 F163 G169	F146-K171 HydrophobicContact CE1-CB 4.4Å; F146-K171 HydrophobicContact CE1-CD 4.13Å; F146-K171 HydrophobicContact CZ-CB 3.86Å; F146-K171 HydrophobicContact CZ-CD 4.4Å; F151-K171 WeakPolarHBondContact O-CE 3.5Å; F151-K171 PolarHBondContact O-NZ 3.49Å; D153-K171 VanDerWaalsContact CB-O 3.3Å; D153-K171 WeakPolarHBondContact CB-O 3.37Å; D153-K171 VanDerWaalsContact CG-O 3.28Å; D153-K171 PolarHBondContact N-O 2.75Å; D153-K171 WeakPolarHBondContact OD1-CG 3.5Å; D153-K171 IonicContact OD1-NZ 2.66Å; D153-K171 PolarHBondContact OD1-NZ 3.44Å; D153-K171 PolarHBondContact OD2-N 3.49Å; L159-K171 HydrophobicContact CD2-CB 3.89Å; L159-K171 HydrophobicContact CD2-CG 4.25Å; F163-K171 VanDerWaalsContact O-CA 3.23Å; F163-K171 WeakPolarHBondContact O-CA 3.35Å; G169-K171 PolarHBondContact O-N 3.41Å
172	F	92	Very high	83.3	Confident	7 Å²	7	54.4 Å²	54.4	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	157.6	-172.7	64.8	-78.9	0	0	0	113	F141 C152 I154 G162 F163 Y170 C176 V180	F141-F172 AromaticContact CD1-CE1 3.7Å; F141-F172 HydrophobicContact CD1-CE1 3.7Å; F141-F172 HydrophobicContact CD1-CZ 4.36Å; F141-F172 HydrophobicContact CE1-CD1 4.38Å; F141-F172 AromaticContact CE1-CE1 3.52Å; F141-F172 HydrophobicContact CE1-CE1 3.52Å; F141-F172 HydrophobicContact CE1-CZ 4.34Å; F141-F172 HydrophobicContact CE2-CE1 4.39Å; F141-F172 HydrophobicContact CE2-CZ 4.48Å; F141-F172 HydrophobicContact CG-CE1 4.25Å; F141-F172 HydrophobicContact CG-CZ 4.47Å; F141-F172 AromaticContact CZ-CE1 3.89Å; F141-F172 HydrophobicContact CZ-CE1 3.89Å; F141-F172 HydrophobicContact CZ-CZ 4.4Å; C152-F172 VanDerWaalsContact SG-CA 3.57Å; I154-F172 HydrophobicContact CD1-CB 3.89Å; I154-F172 HydrophobicContact CD1-CG 4.39Å; I154-F172 HydrophobicContact CG1-CB 4.39Å; G162-F172 WeakPolarHBondContact CA-O 3.5Å; F163-F172 HydrophobicContact CB-CD1 4.13Å; F163-F172 HydrophobicContact CB-CE1 3.49Å; F163-F172 VanDerWaalsContact CB-CE1 3.49Å; F163-F172 HydrophobicContact CB-CE2 4.03Å; F163-F172 HydrophobicContact CB-CZ 3.42Å; F163-F172 VanDerWaalsContact CB-CZ 3.42Å; F163-F172 AromaticContact CD2-CE2 3.8Å; F163-F172 HydrophobicContact CD2-CE2 3.8Å; F163-F172 AromaticContact CD2-CZ 3.94Å; F163-F172 HydrophobicContact CD2-CZ 3.94Å; F163-F172 HydrophobicContact CG-CE1 4.42Å; F163-F172 HydrophobicContact CG-CE2 4.21Å; F163-F172 AromaticContact CG-CZ 3.87Å; F163-F172 HydrophobicContact CG-CZ 3.87Å; F163-F172 PolarHBondContact N-O 2.84Å; F163-F172 PolarHBondContact O-N 2.91Å; Y170-F172 HydrophobicContact CD1-CD1 4.15Å; F172-C176 HydrophobicContact CB-CB 4.31Å; F172-V180 HydrophobicContact CB-CG2 4.34Å; F172-V180 HydrophobicContact CD1-CG2 3.74Å; F172-V180 HydrophobicContact CD2-CG2 3.39Å; F172-V180 HydrophobicContact CE1-CG1 4.28Å; F172-V180 HydrophobicContact CE1-CG2 3.81Å; F172-V180 HydrophobicContact CE2-CG2 3.55Å; F172-V180 HydrophobicContact CG-CG2 3.55Å; F172-V180 HydrophobicContact CZ-CG2 3.73Å
173	H	92.9	Very high	82.1	Confident	24 Å²	24	54.9 Å²	54.9	11%	0.111	29%	0.287	C	S	.	.			trans	-72	152.1	170.8	-59.9	104.5	0	0	0	111.3	C152 C155 F158 L159 H175 C176 S177	C152-H173 WeakPolarHBondContact CB-CE1 3.27Å; C152-H173 WeakPolarHBondContact CB-ND1 3.3Å; C152-H173 PolarHBondContact SG-ND1 3.42Å; C152-H173 VanDerWaalsContact SG-ND1 3.41Å; C155-H173 PolarHBondContact SG-CE1 3.03Å; C155-H173 PolarHBondContact SG-ND1 3.17Å; F158-H173 PolarHBondContact O-CE1 3.21Å; F158-H173 PolarHBondContact O-NE2 2.78Å; L159-H173 HydrophobicContact CD1-CB 4.38Å; L159-H173 WeakPolarHBondContact CD1-CD2 3.4Å; H173-H175 VanDerWaalsContact C-N 3.28Å; H173-H175 WeakPolarHBondContact CB-CE1 3.46Å; H173-H175 WeakPolarHBondContact CB-ND1 3.41Å; H173-H175 AromaticContact CD2-CE1 3.94Å; H173-H175 AromaticContact CG-CE1 3.37Å; H173-H175 AromaticContact CG-NE2 3.96Å; H173-H175 AromaticContact ND1-CE1 3.7Å; H173-H175 AromaticContact ND1-NE2 3.89Å; H173-H175 PolarHBondContact O-N 2.82Å; H173-C176 HydrophobicContact CB-CB 4.26Å; H173-C176 WeakPolarHBondContact O-CA 3.31Å; H173-C176 WeakPolarHBondContact O-CB 3.48Å; H173-C176 PolarHBondContact O-N 2.97Å; H173-S177 PolarHBondContact O-N 2.85Å
174	E	91.2	Very high	81.2	Confident	104 Å²	104	52.9 Å²	52.9	49%	0.486	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-51.9	-42.6	173.8	-174.5	158.3	-141.5	0	0	113.7	R143 F163 C176 S177	R143-E174 IonicContact NH2-OE1 3.04Å; R143-E174 PolarHBondContact NH2-OE1 2.91Å; R143-E174 IonicContact NH2-OE2 2.93Å; F163-E174 HydrophobicContact CE2-CB 3.88Å; F163-E174 HydrophobicContact CE2-CG 3.98Å; E174-C176 PolarHBondContact O-N 3.06Å; E174-S177 WeakPolarHBondContact O-CB 3.47Å; E174-S177 PolarHBondContact O-N 2.92Å; E174-S177 VanDerWaalsContact O-N 3.15Å; E174-S177 PolarHBondContact O-OG 2.86Å
175	H	91.2	Very high	80	Confident	97 Å²	97	49.9 Å²	49.9	45%	0.449	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-72.5	-11	176.6	67.6	-95.6	0	0	0	114.2	H173 Q255	H173-H175 VanDerWaalsContact C-N 3.28Å; H173-H175 WeakPolarHBondContact CB-CE1 3.46Å; H173-H175 WeakPolarHBondContact CB-ND1 3.41Å; H173-H175 AromaticContact CD2-CE1 3.94Å; H173-H175 AromaticContact CG-CE1 3.37Å; H173-H175 AromaticContact CG-NE2 3.96Å; H173-H175 AromaticContact ND1-CE1 3.7Å; H173-H175 AromaticContact ND1-NE2 3.89Å; H173-H175 PolarHBondContact O-N 2.82Å; H175-Q255 PolarHBondContact ND1-NE2 2.82Å
176	C	90.1	Very high	78.7	Confident	7 Å²	7	51.3 Å²	51.3	5%	0.047	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-92	-3.2	173.5	-69.5	0	0	0	0	112.4	C152 I154 F172 H173 E174 T178 K179	C152-C176 VanDerWaalsContact SG-SG 3.69Å; I154-C176 HydrophobicContact CB-CB 4.06Å; I154-C176 HydrophobicContact CD1-CB 3.89Å; I154-C176 WeakPolarHBondContact CD1-O 3.39Å; I154-C176 HydrophobicContact CG2-CB 4.11Å; F172-C176 HydrophobicContact CB-CB 4.31Å; H173-C176 HydrophobicContact CB-CB 4.26Å; H173-C176 WeakPolarHBondContact O-CA 3.31Å; H173-C176 WeakPolarHBondContact O-CB 3.48Å; H173-C176 PolarHBondContact O-N 2.97Å; E174-C176 PolarHBondContact O-N 3.06Å; C176-T178 PolarHBondContact O-N 3.42Å; C176-K179 PolarHBondContact O-N 3.46Å
177	S	87.2	Confident	77.5	Confident	59 Å²	59	51 Å²	51	41%	0.413	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-51.3	-38.7	-177.3	53.2	0	0	0	0	114.1	H173 E174 K179 V180	H173-S177 PolarHBondContact O-N 2.85Å; E174-S177 WeakPolarHBondContact O-CB 3.47Å; E174-S177 PolarHBondContact O-N 2.92Å; E174-S177 VanDerWaalsContact O-N 3.15Å; E174-S177 PolarHBondContact O-OG 2.86Å; S177-K179 PolarHBondContact O-N 3.08Å; S177-K179 VanDerWaalsContact O-N 3.15Å; S177-V180 WeakPolarHBondContact O-CB 3.45Å; S177-V180 WeakPolarHBondContact O-CG2 3.45Å; S177-V180 PolarHBondContact O-N 2.7Å; S177-V180 VanDerWaalsContact O-N 3.12Å
178	T	83	Confident	76.4	Confident	127 Å²	127	48.2 Å²	48.2	78%	0.779	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-65.6	-16.5	-178.8	56.4	0	0	0	0	114.3	C176	C176-T178 PolarHBondContact O-N 3.42Å
179	K	82.9	Confident	75.2	Confident	154 Å²	154	49.6 Å²	49.6	67%	0.67	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-105	2.8	179.3	-62.7	178.5	-177.8	-179.7	0	112.7	I154 C176 S177	I154-K179 HydrophobicContact CD1-CB 4.09Å; I154-K179 HydrophobicContact CG2-CB 3.72Å; I154-K179 HydrophobicContact CG2-CD 3.75Å; I154-K179 HydrophobicContact CG2-CG 4.38Å; C176-K179 PolarHBondContact O-N 3.46Å; S177-K179 PolarHBondContact O-N 3.08Å; S177-K179 VanDerWaalsContact O-N 3.15Å
180	V	78.1	Confident	73.7	Confident	21 Å²	21	48.7 Å²	48.7	13%	0.127	25%	0.251	C	S	.	.	S	Bend	trans	-73	134.6	179.2	-178.3	0	0	0	0	108.9	F141 I154 Y170 F172 S177 T182	F141-V180 HydrophobicContact CE1-CG1 4.33Å; F141-V180 HydrophobicContact CE2-CG1 4.15Å; F141-V180 HydrophobicContact CZ-CG1 3.49Å; F141-V180 VanDerWaalsContact CZ-CG1 3.49Å; I154-V180 HydrophobicContact CD1-CB 4.31Å; I154-V180 HydrophobicContact CD1-CG2 3.48Å; I154-V180 VanDerWaalsContact CD1-CG2 3.48Å; Y170-V180 HydrophobicContact CD1-CG1 4.34Å; Y170-V180 HydrophobicContact CE1-CG1 4.24Å; F172-V180 HydrophobicContact CB-CG2 4.34Å; F172-V180 HydrophobicContact CD1-CG2 3.74Å; F172-V180 HydrophobicContact CD2-CG2 3.39Å; F172-V180 HydrophobicContact CE1-CG1 4.28Å; F172-V180 HydrophobicContact CE1-CG2 3.81Å; F172-V180 HydrophobicContact CE2-CG2 3.55Å; F172-V180 HydrophobicContact CG-CG2 3.55Å; F172-V180 HydrophobicContact CZ-CG2 3.73Å; S177-V180 WeakPolarHBondContact O-CB 3.45Å; S177-V180 WeakPolarHBondContact O-CG2 3.45Å; S177-V180 PolarHBondContact O-N 2.7Å; S177-V180 VanDerWaalsContact O-N 3.12Å; V180-T182 PolarHBondContact O-N 3.3Å
181	P	75.6	Confident	71.9	Confident	39 Å²	39	51.1 Å²	51.1	25%	0.253	26%	0.26	S	S	.	.			trans	-53.3	137.6	172.3	-26	35	0	0	0	111.2	H139 M183	H139-P181 PolarHBondContact CD2-O 3.26Å; H139-P181 VanDerWaalsContact CD2-O 3.32Å; H139-P181 PolarHBondContact NE2-O 3.2Å; P181-M183 PolarHBondContact O-N 3.28Å
182	T	68.9	Low	69.7	Low	66 Å²	66	54.4 Å²	54.4	41%	0.405	28%	0.276	S	S	.	.	S	Bend	trans	-67.3	-24.5	-177.8	48.6	0	0	0	0	112.7	R89 V180	R89-T182 PolarHBondContact O-OG1 2.95Å; V180-T182 PolarHBondContact O-N 3.3Å
183	M	67.3	Low	67.2	Low	15 Å²	15	57.3 Å²	57.3	7%	0.074	29%	0.291	C	S	.	.	S	Bend	trans	-116.7	138.5	-174.8	-58.4	-52.9	-68.8	0	0	111.4	F130 L136 H139 P181 V185	F130-M183 HydrophobicContact CZ-CG 3.91Å; L136-M183 HydrophobicContact CB-CE 3.66Å; L136-M183 HydrophobicContact CD1-CE 4.49Å; L136-M183 HydrophobicContact CD2-CB 4.15Å; L136-M183 HydrophobicContact CD2-CE 3.85Å; L136-M183 HydrophobicContact CD2-CG 4.15Å; L136-M183 HydrophobicContact CG-CE 4.19Å; H139-M183 VanDerWaalsContact CD2-C 3.47Å; H139-M183 PolarHBondContact NE2-O 3.17Å; P181-M183 PolarHBondContact O-N 3.28Å; M183-V185 HydrophobicContact CB-CG2 3.76Å; M183-V185 WeakPolarHBondContact O-CG2 3.36Å; M183-V185 PolarHBondContact O-N 3.45Å
184	C	70.1	Confident	64.7	Low	2 Å²	2	58.7 Å²	58.7	1%	0.014	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	76.9	168.8	-175	0	0	0	0	108.7	T137 H139 D186	T137-C184 WeakPolarHBondContact O-CA 3.34Å; T137-C184 WeakPolarHBondContact O-CB 3.4Å; T137-C184 PolarHBondContact O-N 3.08Å; T137-C184 WeakPolarHBondContact OG1-CB 3.25Å; T137-C184 PolarHBondContact OG1-O 3.05Å; H139-C184 HydrophobicContact CB-CB 4.24Å; H139-C184 PolarHBondContact CD2-N 3.33Å; C184-D186 PolarHBondContact O-N 2.86Å
185	V	60.8	Low	62.4	Low	24 Å²	24	58.1 Å²	58.1	15%	0.145	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	109	179	-172	0	0	0	0	108	M183 W187 I190	M183-V185 HydrophobicContact CB-CG2 3.76Å; M183-V185 WeakPolarHBondContact O-CG2 3.36Å; M183-V185 PolarHBondContact O-N 3.45Å; V185-W187 HydrophobicContact CG1-CD2 3.81Å; V185-W187 HydrophobicContact CG1-CE3 4.4Å; V185-W187 HydrophobicContact CG1-CG 3.98Å; V185-W187 HydrophobicContact CG1-CZ2 4.14Å; V185-W187 PolarHBondContact O-N 3.28Å; V185-I190 HydrophobicContact CB-CD1 4.31Å; V185-I190 HydrophobicContact CG1-CD1 3.08Å
186	D	55.5	Low	59.9	Low	30 Å²	30	59.8 Å²	59.8	16%	0.16	31%	0.305	C	S	.	.			trans	-73.7	81.5	163	-165.6	-2.7	0	0	0	108	C184 S188 N189 K579	C184-D186 PolarHBondContact O-N 2.86Å; D186-S188 PolarHBondContact O-N 2.99Å; D186-S188 WeakPolarHBondContact OD1-CB 3.5Å; D186-S188 PolarHBondContact OD1-N 3.11Å; D186-S188 PolarHBondContact OD1-OG 3.3Å; D186-N189 PolarHBondContact O-N 3.01Å; D186-K579 IonicContact OD2-NZ 2.98Å; D186-K579 PolarHBondContact OD2-NZ 3.07Å
187	W	51.3	Low	57.1	Low	109 Å²	109	63.9 Å²	63.9	41%	0.413	33%	0.331	S	S	.	.	H	α-helix	trans	-51.4	-15.1	175.2	-79	107.1	0	0	0	112.9	Q92 C95 V185 N189 I190	Q92-W187 HydrophobicContact CB-CH2 3.69Å; Q92-W187 HydrophobicContact CB-CZ2 4.11Å; Q92-W187 HydrophobicContact CG-CH2 3.6Å; Q92-W187 HydrophobicContact CG-CZ2 3.57Å; C95-W187 VanDerWaalsContact SG-CH2 3.51Å; V185-W187 HydrophobicContact CG1-CD2 3.81Å; V185-W187 HydrophobicContact CG1-CE3 4.4Å; V185-W187 HydrophobicContact CG1-CG 3.98Å; V185-W187 HydrophobicContact CG1-CZ2 4.14Å; V185-W187 PolarHBondContact O-N 3.28Å; W187-N189 PolarHBondContact O-N 3.29Å; W187-I190 HydrophobicContact CZ3-CG2 4.47Å
188	S	47.2	Very low	54.4	Low	17 Å²	17	68.1 Å²	68.1	12%	0.119	35%	0.35	C	S	.	.	H	α-helix	trans	-60.1	-39.8	174.1	-41.9	0	0	0	0	113.7	D186 K582	D186-S188 PolarHBondContact O-N 2.99Å; D186-S188 WeakPolarHBondContact OD1-CB 3.5Å; D186-S188 PolarHBondContact OD1-N 3.11Å; D186-S188 PolarHBondContact OD1-OG 3.3Å; S188-K582 VanDerWaalsContact CA-CE 3.49Å; S188-K582 PolarHBondContact O-NZ 3.02Å
189	N	45.3	Very low	51.8	Low	64 Å²	64	67.4 Å²	67.4	34%	0.342	35%	0.349	S	S	.	.	H	α-helix	trans	-99	-27.2	-173.2	-70.5	-24.8	0	0	0	113.3	P135 D186 W187 R191 Q192 L193	P135-N189 HydrophobicContact CG-CB 3.99Å; D186-N189 PolarHBondContact O-N 3.01Å; W187-N189 PolarHBondContact O-N 3.29Å; N189-R191 PolarHBondContact O-N 3.17Å; N189-Q192 WeakPolarHBondContact O-CB 3.48Å; N189-Q192 PolarHBondContact O-N 3.07Å; N189-L193 PolarHBondContact O-N 2.78Å
190	I	46.6	Very low	49.4	Very low	0 Å²	0	66 Å²	66	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-72.4	-36.4	-169.5	-70	155.2	0	0	0	111.9	V134 V185 W187 Q192 L193 L194	V134-I190 HydrophobicContact CB-CD1 4.25Å; V134-I190 HydrophobicContact CB-CG1 3.97Å; V134-I190 HydrophobicContact CG1-CD1 3.33Å; V134-I190 HydrophobicContact CG1-CG1 3.59Å; V134-I190 HydrophobicContact CG1-CG2 4.45Å; V134-I190 HydrophobicContact CG2-CG1 4.04Å; V134-I190 HydrophobicContact CG2-CG2 3.88Å; V185-I190 HydrophobicContact CB-CD1 4.31Å; V185-I190 HydrophobicContact CG1-CD1 3.08Å; W187-I190 HydrophobicContact CZ3-CG2 4.47Å; I190-Q192 VanDerWaalsContact C-N 3.31Å; I190-Q192 PolarHBondContact O-N 3.17Å; I190-L193 PolarHBondContact O-N 3.08Å; I190-L194 HydrophobicContact CG2-CD1 3.44Å; I190-L194 VanDerWaalsContact CG2-CD1 3.44Å; I190-L194 HydrophobicContact CG2-CG 4.24Å; I190-L194 WeakPolarHBondContact O-CB 3.45Å; I190-L194 WeakPolarHBondContact O-CD1 3.31Å; I190-L194 WeakPolarHBondContact O-CG 3.41Å; I190-L194 PolarHBondContact O-N 3.43Å
191	R	44.4	Very low	47.2	Very low	88 Å²	88	73.6 Å²	73.6	33%	0.332	39%	0.392	S	S	.	.	H	α-helix	trans	-67.3	-30.5	172.7	-77.4	-173.1	171	-147.4	-0.7	113.2	N189 L193 L194 L195	N189-R191 PolarHBondContact O-N 3.17Å; R191-L193 VanDerWaalsContact C-N 3.25Å; R191-L193 PolarHBondContact O-N 2.79Å; R191-L194 PolarHBondContact O-N 3.12Å; R191-L195 HydrophobicContact CB-CD1 4.28Å; R191-L195 WeakPolarHBondContact O-CB 3.38Å; R191-L195 WeakPolarHBondContact O-CD1 3.46Å; R191-L195 WeakPolarHBondContact O-CG 3.48Å; R191-L195 PolarHBondContact O-N 3.37Å
192	Q	42.8	Very low	45.1	Very low	89 Å²	89	75.4 Å²	75.4	42%	0.416	42%	0.417	S	S	.	.	H	α-helix	trans	-63	-34.1	176.8	-96.3	178.4	-14	0	0	112.3	N189 I190	N189-Q192 WeakPolarHBondContact O-CB 3.48Å; N189-Q192 PolarHBondContact O-N 3.07Å; I190-Q192 VanDerWaalsContact C-N 3.31Å; I190-Q192 PolarHBondContact O-N 3.17Å
193	L	39	Very low	43.2	Very low	67 Å²	67	79.5 Å²	79.5	35%	0.351	44%	0.437	S	S	.	.	H	α-helix	trans	-93.8	-18.5	-175.6	-69.1	144	0	0	0	113.4	H133 N189 I190 R191	H133-L193 HydrophobicContact CB-CB 3.28Å; H133-L193 HydrophobicContact CB-CD1 3.66Å; H133-L193 HydrophobicContact CB-CD2 3.77Å; H133-L193 HydrophobicContact CB-CG 3.69Å; H133-L193 WeakPolarHBondContact O-CD1 3.41Å; N189-L193 PolarHBondContact O-N 2.78Å; I190-L193 PolarHBondContact O-N 3.08Å; R191-L193 VanDerWaalsContact C-N 3.25Å; R191-L193 PolarHBondContact O-N 2.79Å
194	L	40.6	Very low	41.4	Very low	54 Å²	54	84 Å²	84	28%	0.283	47%	0.47	S	S	.	.	H	α-helix	trans	-88.6	-21.4	176.9	-63.1	171.5	0	0	0	113.5	E94 L131 I190 R191	E94-L194 HydrophobicContact CB-CD1 4.16Å; E94-L194 WeakPolarHBondContact O-CD1 3.48Å; E94-L194 VanDerWaalsContact O-CD2 3.3Å; E94-L194 WeakPolarHBondContact O-CD2 3.02Å; L131-L194 HydrophobicContact CB-CD2 4.32Å; L131-L194 HydrophobicContact CD1-CD2 3.14Å; L131-L194 HydrophobicContact CG-CD2 4.28Å; I190-L194 HydrophobicContact CG2-CD1 3.44Å; I190-L194 VanDerWaalsContact CG2-CD1 3.44Å; I190-L194 HydrophobicContact CG2-CG 4.24Å; I190-L194 WeakPolarHBondContact O-CB 3.45Å; I190-L194 WeakPolarHBondContact O-CD1 3.31Å; I190-L194 WeakPolarHBondContact O-CG 3.41Å; I190-L194 PolarHBondContact O-N 3.43Å; R191-L194 PolarHBondContact O-N 3.12Å
195	L	43.2	Very low	39.5	Very low	92 Å²	92	87.5 Å²	87.5	48%	0.482	51%	0.507	S	S	.	.	S	Bend	trans	-92.9	-10.3	178.6	-68.1	166.8	0	0	0	113.2	R191 D569	R191-L195 HydrophobicContact CB-CD1 4.28Å; R191-L195 WeakPolarHBondContact O-CB 3.38Å; R191-L195 WeakPolarHBondContact O-CD1 3.46Å; R191-L195 WeakPolarHBondContact O-CG 3.48Å; R191-L195 PolarHBondContact O-N 3.37Å; L195-D569 WeakPolarHBondContact CD1-OD1 3.47Å
196	F	37.4	Very low	38.1	Very low	131 Å²	131	93.2 Å²	93.2	58%	0.575	54%	0.541	S	S	*	.			trans	-139	75.6	177.9	-62.3	-80.3	0	0	0	112	N198	F196-N198 PolarHBondContact O-N 2.87Å
197	P	31.6	Very low	37.1	Very low	93 Å²	93	97.2 Å²	97.2	60%	0.604	57%	0.569	S	S	*	*			trans	-74.3	121.3	156.5	30.9	-24.2	0	0	0	106.6
198	N	30.3	Very low	36.1	Very low	149 Å²	149	96.4 Å²	96.4	80%	0.797	59%	0.585	S	S	*	*			trans	104.7	82.9	174.6	-49.1	-16.7	0	0	0	114.8	F196	F196-N198 PolarHBondContact O-N 2.87Å
199	S	28.6	Very low	35.2	Very low	111 Å²	111	103.8 Å²	103.8	78%	0.776	62%	0.623	S	S	*	*			trans	-137.1	62.2	152.2	-55.8	0	0	0	0	108.3
200	T	34	Very low	34.7	Very low	126 Å²	126	106.3 Å²	106.3	77%	0.773	64%	0.643	S	S	*	*	S	Bend	trans	-130.3	96.4	165.9	45.4	0	0	0	0	108.3
201	I	30.6	Very low	33.7	Very low	180 Å²	180	111.7 Å²	111.7	92%	0.923	68%	0.68	S	S	*	*			trans	17.7	108.9	143	-55	169.6	0	0	0	114.4
202	G	32.1	Very low	33.2	Very low	76 Å²	76	115.1 Å²	115.1	78%	0.784	70%	0.704	S	S	*	*			trans	-176	109.3	174.2	0	0	0	0	0	110.3
203	D	28.5	Very low	32.6	Very low	152 Å²	152	116.7 Å²	116.7	81%	0.813	72%	0.72	S	S	*	*			trans	-38.9	143.5	-178.4	-128.9	-36.4	0	0	0	116.9
204	S	29.2	Very low	32	Very low	110 Å²	110	121.7 Å²	121.7	77%	0.769	74%	0.743	S	S	*	*			trans	56.8	110	147.7	-63	0	0	0	0	119.8
205	G	30.3	Very low	31.5	Very low	76 Å²	76	130.9 Å²	130.9	78%	0.784	77%	0.774	S	S	*	*			trans	141.3	107.7	153.7	0	0	0	0	0	115.8
206	V	32.6	Very low	30.7	Very low	143 Å²	143	137.2 Å²	137.2	87%	0.867	79%	0.792	S	S	*	*			trans	-61.4	136.8	167	-178.6	0	0	0	0	110
207	P	34.7	Very low	30.4	Very low	114 Å²	114	140.7 Å²	140.7	74%	0.74	81%	0.813	S	S	*	*				-148.9	124.2	122.7	23.8	-1.6	0	0	0	113.7
208	A	29.2	Very low	30.1	Very low	92 Å²	92	147.1 Å²	147.1	76%	0.76	83%	0.825	S	S	*	*				75.6	107.9	93.4	0	0	0	0	0	115.4
209	L	28.9	Very low	30.1	Very low	173 Å²	173	148.6 Å²	148.6	91%	0.906	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-70.8	137	170	-126	88.3	0	0	0	110.6
210	P	33.7	Very low	30.2	Very low	117 Å²	117	148.6 Å²	148.6	76%	0.76	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-86.3	122.9	163.4	4.9	12.8	0	0	0	111.1
211	S	26.1	Very low	29.9	Very low	113 Å²	113	148.8 Å²	148.8	79%	0.79	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-67.8	130.1	161.9	-77.6	0	0	0	0	110.9
212	L	33.3	Very low	30	Very low	160 Å²	160	145.6 Å²	145.6	84%	0.838	82%	0.821	S	S	*	*			trans	-137.9	88.7	160	-76.2	178	0	0	0	111.9
213	T	30.4	Very low	29.8	Very low	122 Å²	122	152.3 Å²	152.3	75%	0.748	82%	0.823	S	S	*	*			trans	18	119.3	133.1	53.7	0	0	0	0	120.1
214	M	26.3	Very low	29.9	Very low	171 Å²	171	152 Å²	152	84%	0.842	82%	0.818	S	S	*	*			trans	-17.1	127.7	146.9	-72.2	-81	143.9	0	0	117.1
215	R	30.4	Very low	30	Very low	247 Å²	247	152 Å²	152	93%	0.932	82%	0.815	S	S	*	*			trans	-135.5	111.1	141.4	-115.2	179.5	-173.3	-178	2.1	110.1
216	R	27.4	Very low	29.8	Very low	226 Å²	226	154.8 Å²	154.8	85%	0.853	82%	0.817	S	S	*	*			trans	-63.9	136.1	166.6	-74.1	175	179.6	172	-0	109
217	M	29.6	Very low	29.8	Very low	204 Å²	204	153.3 Å²	153.3	100%	1.005	81%	0.813	S	S	*	*			trans	-124.7	117.1	141.6	-84.9	-138.8	-174.7	0	0	107.7
218	R	25.8	Very low	29.7	Very low	227 Å²	227	152.3 Å²	152.3	86%	0.857	81%	0.809	S	S	*	*			trans	-125.8	132.9	170.5	-170.8	-172.9	-151.2	-117.6	5.4	104.6
219	E	30.3	Very low	29.8	Very low	181 Å²	181	156 Å²	156	85%	0.846	81%	0.81	S	S	*	*			trans	142.9	131.5	160.6	-88.1	162.8	-173	0	0	109.3
220	S	32.2	Very low	30	Very low	110 Å²	110	155.5 Å²	155.5	77%	0.769	80%	0.803	S	S	*	*			cis	-155	155.5	23.1	-81.9	0	0	0	0	113
221	V	27.6	Very low	29.6	Very low	131 Å²	131	159.3 Å²	159.3	79%	0.794	80%	0.802	S	S	*	*			trans	-97.7	138.4	175.4	173.3	0	0	0	0	109.6
222	S	32.7	Very low	29.9	Very low	112 Å²	112	163.4 Å²	163.4	78%	0.783	80%	0.802	S	S	*	*			trans	-165.9	97.3	152.6	29.2	0	0	0	0	108.9
223	R	27.2	Very low	29.6	Very low	217 Å²	217	160.5 Å²	160.5	82%	0.819	80%	0.795	S	S	*	*				62.1	124.9	84.9	-97.1	-169.3	-174	-171.7	6.1	115.6
224	M	29.8	Very low	29.6	Very low	147 Å²	147	160.8 Å²	160.8	72%	0.724	80%	0.797	S	S	*	*			trans	138.9	156.1	137.9	-66.6	-60.7	75.3	0	0	113.3
225	P	30.9	Very low	29.8	Very low	108 Å²	108	158.2 Å²	158.2	70%	0.701	79%	0.793	S	S	*	*				-137.4	173	-90.9	29.2	-3.3	0	0	0	116.7
226	V	27.8	Very low	29.9	Very low	136 Å²	136	154.9 Å²	154.9	82%	0.824	79%	0.787	S	S	*	*			trans	2.9	127	153.5	-171.8	0	0	0	0	121.8
227	S	31.1	Very low	30	Very low	112 Å²	112	148.3 Å²	148.3	78%	0.783	78%	0.781	S	S	*	*				163.2	149	127	-110.6	0	0	0	0	108.4
228	S	33.7	Very low	30	Very low	93 Å²	93	147.7 Å²	147.7	65%	0.65	77%	0.773	S	S	*	*			cis	-172.8	137.7	4.7	39.6	0	0	0	0	107.4
229	Q	30.7	Very low	30.1	Very low	168 Å²	168	142.3 Å²	142.3	79%	0.785	77%	0.766	S	S	*	*			trans	37	119.2	143.7	-60.4	173.1	-19.5	0	0	120.3
230	H	32.4	Very low	30.1	Very low	163 Å²	163	142 Å²	142	76%	0.755	76%	0.762	S	S	*	*				-178.5	159.3	101.7	-104.2	-81.8	0	0	0	113.2
231	R	26.7	Very low	29.8	Very low	198 Å²	198	143.6 Å²	143.6	75%	0.747	76%	0.762	S	S	*	*			trans	-76.5	172.8	-161.4	-61.5	168.8	-164.4	-176.9	3.9	115.1
232	Y	32	Very low	30.1	Very low	199 Å²	199	143.8 Å²	143.8	78%	0.78	76%	0.763	S	S	*	*			trans	115.2	95.8	153.7	-61.1	-66.9	0	0	0	112.6
233	S	27.1	Very low	30	Very low	99 Å²	99	143.9 Å²	143.9	69%	0.692	76%	0.764	S	S	*	*				82.3	115.6	78.4	-70.8	0	0	0	0	114
234	T	30.9	Very low	30.4	Very low	128 Å²	128	138.7 Å²	138.7	79%	0.785	76%	0.761	S	S	*	*			trans	106.5	137.6	150.3	67.5	0	0	0	0	120.2
235	P	30	Very low	30.6	Very low	117 Å²	117	138.1 Å²	138.1	76%	0.76	77%	0.768	S	S	*	*			trans	-102.7	125.8	-171	35.2	-20.8	0	0	0	111.2
236	H	32.7	Very low	30.8	Very low	177 Å²	177	138.3 Å²	138.3	82%	0.819	77%	0.772	S	S	*	*			trans	-123.4	130.6	167.8	-87.3	-66.4	0	0	0	111.9
237	A	28.2	Very low	31	Very low	88 Å²	88	137.3 Å²	137.3	73%	0.727	77%	0.771	S	S	*	*			trans	-56.1	131.1	-179.5	0	0	0	0	0	112.5	T239	A237-T239 PolarHBondContact O-N 3.19Å
238	F	30.8	Very low	31.1	Very low	191 Å²	191	141.1 Å²	141.1	84%	0.838	78%	0.777	S	S	*	*			trans	-83	91	164.6	-78.9	-80	0	0	0	109.6	F240	F238-F240 HydrophobicContact CD1-CE2 4.27Å
239	T	27.2	Very low	30.8	Very low	114 Å²	114	140.6 Å²	140.6	70%	0.699	79%	0.786	S	S	*	*			trans	-84.9	102.1	157.5	-45.7	0	0	0	0	107	A237 N241	A237-T239 PolarHBondContact O-N 3.19Å; T239-N241 PolarHBondContact O-N 2.94Å; T239-N241 VanDerWaalsContact O-N 3.09Å
240	F	30.3	Very low	30.9	Very low	173 Å²	173	137.9 Å²	137.9	76%	0.759	79%	0.786	S	S	*	*			trans	-75.5	94.4	169.7	-96	-86.3	0	0	0	109.4	F238	F238-F240 HydrophobicContact CD1-CE2 4.27Å
241	N	26.7	Very low	30.7	Very low	144 Å²	144	138.9 Å²	138.9	77%	0.77	80%	0.796	S	S	*	*			trans	-93.1	107.6	155.7	-92.3	0.2	0	0	0	107.7	T239	T239-N241 PolarHBondContact O-N 2.94Å; T239-N241 VanDerWaalsContact O-N 3.09Å
242	T	33.1	Very low	31.1	Very low	135 Å²	135	134.5 Å²	134.5	83%	0.828	80%	0.795	S	S	*	*			trans	-99.2	102.7	161.8	12.1	0	0	0	0	108.5
243	S	31	Very low	31.8	Very low	115 Å²	115	134 Å²	134	80%	0.804	80%	0.8	S	S	*	*			trans	-98.2	119.2	162.9	47.1	0	0	0	0	108.9
244	S	35.4	Very low	32.8	Very low	107 Å²	107	141.1 Å²	141.1	75%	0.748	81%	0.811	S	S	*	*			trans	-144	130.2	150.7	55.5	0	0	0	0	108.4
245	P	33.6	Very low	34.2	Very low	135 Å²	135	141.6 Å²	141.6	88%	0.877	81%	0.805	S	S	*	*			trans	-89.8	124.6	176.9	33.4	-26.4	0	0	0	108.9
246	S	36.4	Very low	35.8	Very low	112 Å²	112	147.2 Å²	147.2	78%	0.783	81%	0.811	S	S	*	*			trans	-128.8	107.3	159.6	56.9	0	0	0	0	108
247	S	31	Very low	37.6	Very low	115 Å²	115	144 Å²	144	80%	0.804	81%	0.808	S	S	*	*			trans	-49.8	122.5	165.1	37.9	0	0	0	0	111.7
248	E	32.8	Very low	39.6	Very low	193 Å²	193	144.9 Å²	144.9	90%	0.902	81%	0.805	S	S	*	*				176.9	125.2	126.2	-96.4	-171.6	175.1	0	0	112.3
249	G	27	Very low	41.7	Very low	81 Å²	81	140.4 Å²	140.4	84%	0.835	80%	0.797	S	S	*	*			trans	53.6	90.2	142.5	0	0	0	0	0	121.1
250	S	33	Very low	43.7	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	80%	0.802	S	S	*	*				166	124.1	125	-178.3	0	0	0	0	109.9	S252	S250-S252 VanDerWaalsContact C-N 3.34Å; S250-S252 PolarHBondContact O-N 3.04Å
251	L	29.4	Very low	45.7	Very low	184 Å²	184	136.3 Å²	136.3	96%	0.963	79%	0.787	S	S	*	*			trans	-60.5	86.7	179	-72.9	158.5	0	0	0	111
252	S	34.5	Very low	47.9	Very low	105 Å²	105	136.2 Å²	136.2	73%	0.734	79%	0.787	S	S	*	*			trans	-99.5	127.2	165	59.2	0	0	0	0	109.1	S250 R254	S250-S252 VanDerWaalsContact C-N 3.34Å; S250-S252 PolarHBondContact O-N 3.04Å; S252-R254 PolarHBondContact O-N 3.45Å
253	Q	46.6	Very low	49.4	Very low	188 Å²	188	135.9 Å²	135.9	88%	0.879	79%	0.785	S	S	*	*			trans	-40.3	105.4	-176.7	-162.9	171.3	30.1	0	0	112.1	Q255	Q253-Q255 PolarHBondContact O-N 2.91Å
254	R	49.2	Very low	50.7	Low	249 Å²	249	137.9 Å²	137.9	94%	0.94	78%	0.781	S	S	*	*			trans	-56.2	113.7	-179.9	-151.6	179.5	-166.5	-149	4.5	108.5	S252 R256	S252-R254 PolarHBondContact O-N 3.45Å; R254-R256 PolarHBondContact O-N 3.39Å
255	Q	59.7	Low	50.9	Low	138 Å²	138	140.6 Å²	140.6	65%	0.645	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-59.5	132	-176.6	-72.8	-175.2	-13.1	0	0	110.7	H175 Q253 S257	H175-Q255 PolarHBondContact ND1-NE2 2.82Å; Q253-Q255 PolarHBondContact O-N 2.91Å; Q255-S257 PolarHBondContact O-N 2.79Å
256	R	63.3	Low	51.2	Low	236 Å²	236	138.4 Å²	138.4	89%	0.891	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-74.2	120.1	175.6	-164.4	172.8	-171.4	154.5	1.6	109	R254	R254-R256 PolarHBondContact O-N 3.39Å
257	S	70.9	Confident	50.9	Low	109 Å²	109	137 Å²	137	76%	0.762	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-56.5	147.2	168.4	-60.6	0	0	0	0	110.4	Q255 S259	Q255-S257 PolarHBondContact O-N 2.79Å; S257-S259 PolarHBondContact O-N 3.37Å
258	T	69.6	Low	51.3	Low	107 Å²	107	136.2 Å²	136.2	66%	0.656	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-65.8	126.2	-178.9	51.3	0	0	0	0	110.9	F158	F158-T258 HydrophobicContact CD1-CG2 4.03Å
259	S	74.6	Confident	51.6	Low	96 Å²	96	132.3 Å²	132.3	67%	0.671	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-85.6	173.3	167.3	56.5	0	0	0	0	111.3	S257	S257-S259 PolarHBondContact O-N 3.37Å
260	T	70	Confident	52	Low	130 Å²	130	135.6 Å²	135.6	80%	0.798	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-53	126.7	177	-49.2	0	0	0	0	111.5
261	P	72	Confident	52.1	Low	71 Å²	71	135.6 Å²	135.6	46%	0.461	73%	0.733	S	S	.	*	P	Polyproline II helix	trans	-76.4	169.8	176.1	32.3	-35.2	0	0	0	112
262	N	72.9	Confident	52.7	Low	142 Å²	142	132 Å²	132	76%	0.759	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-59.2	136	176	-66.5	-22	0	0	0	111.7
263	V	65.4	Low	52.9	Low	129 Å²	129	131.1 Å²	131.1	78%	0.782	71%	0.705	S	S	*	*			trans	-92.2	110.1	173	-178.7	0	0	0	0	108.4
264	H	57.5	Low	52.7	Low	156 Å²	156	125.3 Å²	125.3	72%	0.722	69%	0.685	S	S	*	*			trans	-99.5	112.5	173.3	-161.5	-76.1	0	0	0	109.3	V266	H264-V266 VanDerWaalsContact ND1-CG2 3.27Å; H264-V266 WeakPolarHBondContact ND1-CG2 3.44Å; H264-V266 PolarHBondContact O-N 3.46Å; H264-V266 VanDerWaalsContact O-N 3.12Å
265	M	38.6	Very low	52.5	Low	165 Å²	165	122 Å²	122	81%	0.813	67%	0.673	S	S	*	*			trans	-78.9	91.9	169.8	-64.1	-136	-62.2	0	0	108.6	S267	M265-S267 PolarHBondContact O-N 3.41Å
266	V	40.5	Very low	51.9	Low	88 Å²	88	122.5 Å²	122.5	53%	0.533	68%	0.677	S	S	.	*			trans	-76.4	100.8	167.2	-176.7	0	0	0	0	107.2	H264 T268	H264-V266 VanDerWaalsContact ND1-CG2 3.27Å; H264-V266 WeakPolarHBondContact ND1-CG2 3.44Å; H264-V266 PolarHBondContact O-N 3.46Å; H264-V266 VanDerWaalsContact O-N 3.12Å; V266-T268 PolarHBondContact O-N 2.62Å
267	S	30.1	Very low	51.4	Low	84 Å²	84	113.3 Å²	113.3	59%	0.587	65%	0.645	S	S	*	*			trans	-67.7	110.2	166.7	-83.6	0	0	0	0	108.9	M265 T269	M265-S267 PolarHBondContact O-N 3.41Å; S267-T269 PolarHBondContact O-N 2.95Å; S267-T269 VanDerWaalsContact O-N 3.1Å
268	T	40.3	Very low	50.2	Low	97 Å²	97	113.8 Å²	113.8	60%	0.595	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	26.2	172.1	36.5	0	0	0	0	113.1	V266	V266-T268 PolarHBondContact O-N 2.62Å
269	T	38.2	Very low	49.1	Very low	111 Å²	111	113.6 Å²	113.6	68%	0.681	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.7	17.1	-175	54.3	0	0	0	0	114.3	S267 P271	S267-T269 PolarHBondContact O-N 2.95Å; S267-T269 VanDerWaalsContact O-N 3.1Å; T269-P271 WeakPolarHBondContact O-CD 3.48Å
270	L	35	Very low	47.9	Very low	151 Å²	151	111.4 Å²	111.4	79%	0.791	62%	0.618	S	S	*	*			trans	-82.5	115.9	164.1	-70.5	176.2	0	0	0	108.3	V272	L270-V272 PolarHBondContact O-N 3.04Å
271	P	36.6	Very low	47.1	Very low	111 Å²	111	110.5 Å²	110.5	72%	0.721	61%	0.607	S	S	*	*			trans	-62.1	113.3	172.6	24.9	-28.5	0	0	0	107.1	T269 D273	T269-P271 WeakPolarHBondContact O-CD 3.48Å; P271-D273 PolarHBondContact O-N 3.13Å
272	V	41	Very low	46.1	Very low	109 Å²	109	116.1 Å²	116.1	66%	0.661	62%	0.619	S	S	*	*			trans	-56.1	122.2	152.7	177.5	0	0	0	0	103.9	L270 S274 I277	L270-V272 PolarHBondContact O-N 3.04Å; V272-S274 VanDerWaalsContact C-N 3.32Å; V272-S274 PolarHBondContact O-N 2.98Å; V272-I277 HydrophobicContact CG1-CD1 4Å
273	D	38.3	Very low	44.9	Very low	86 Å²	86	113 Å²	113	46%	0.46	61%	0.608	S	S	.	*			trans	-49.3	94.4	-171.2	-156	-4.8	0	0	0	109.9	P271 R275 M276	P271-D273 PolarHBondContact O-N 3.13Å; D273-R275 PolarHBondContact O-N 2.87Å; D273-R275 VanDerWaalsContact OD1-CD 3.24Å; D273-R275 WeakPolarHBondContact OD1-CD 3.48Å; D273-R275 VanDerWaalsContact OD1-CG 3.31Å; D273-R275 WeakPolarHBondContact OD1-CG 3.4Å; D273-R275 IonicContact OD1-NE 3.32Å; D273-R275 PolarHBondContact OD1-NE 2.94Å; D273-M276 PolarHBondContact O-N 3.26Å
274	S	42.4	Very low	44.3	Very low	66 Å²	66	114.8 Å²	114.8	46%	0.462	61%	0.608	S	S	.	*	H	α-helix	trans	-57.3	-20.4	-171	-69.2	0	0	0	0	111.5	V272 M276 I277 E278	V272-S274 VanDerWaalsContact C-N 3.32Å; V272-S274 PolarHBondContact O-N 2.98Å; S274-M276 VanDerWaalsContact C-N 3.34Å; S274-M276 PolarHBondContact O-N 2.8Å; S274-I277 PolarHBondContact O-N 2.9Å; S274-E278 WeakPolarHBondContact O-CB 3.46Å; S274-E278 WeakPolarHBondContact O-CG 3.39Å; S274-E278 PolarHBondContact O-N 2.69Å
275	R	44.7	Very low	43.6	Very low	180 Å²	180	111.6 Å²	111.6	68%	0.679	60%	0.603	S	S	*	*	H	α-helix	trans	-59.1	-40.9	175.2	-47	177.4	-162.3	-162.3	1.1	111.9	D273 I277 D279	D273-R275 PolarHBondContact O-N 2.87Å; D273-R275 VanDerWaalsContact OD1-CD 3.24Å; D273-R275 WeakPolarHBondContact OD1-CD 3.48Å; D273-R275 VanDerWaalsContact OD1-CG 3.31Å; D273-R275 WeakPolarHBondContact OD1-CG 3.4Å; D273-R275 IonicContact OD1-NE 3.32Å; D273-R275 PolarHBondContact OD1-NE 2.94Å; R275-I277 VanDerWaalsContact C-N 3.35Å; R275-I277 PolarHBondContact O-N 3.47Å; R275-D279 WeakPolarHBondContact O-CB 3.34Å; R275-D279 VanDerWaalsContact O-CG 3.32Å; R275-D279 PolarHBondContact O-N 3.45Å
276	M	48.4	Very low	43.3	Very low	149 Å²	149	112.2 Å²	112.2	73%	0.734	60%	0.604	S	S	*	*	H	α-helix	trans	-76.6	-21.5	-179.6	-65.8	-137.7	130.7	0	0	113.6	D273 S274	D273-M276 PolarHBondContact O-N 3.26Å; S274-M276 VanDerWaalsContact C-N 3.34Å; S274-M276 PolarHBondContact O-N 2.8Å
277	I	52	Low	43.1	Very low	43 Å²	43	113.7 Å²	113.7	22%	0.221	62%	0.618	C	S	.	*	H	α-helix	trans	-88.5	-37.9	175.8	-59.8	173.6	0	0	0	110.1	V272 S274 R275 A280 I281	V272-I277 HydrophobicContact CG1-CD1 4Å; S274-I277 PolarHBondContact O-N 2.9Å; R275-I277 VanDerWaalsContact C-N 3.35Å; R275-I277 PolarHBondContact O-N 3.47Å; I277-A280 PolarHBondContact O-N 3.01Å; I277-I281 HydrophobicContact CG2-CD1 3.98Å; I277-I281 VanDerWaalsContact O-CG1 3.32Å; I277-I281 WeakPolarHBondContact O-CG1 3.47Å; I277-I281 PolarHBondContact O-N 3.48Å; I277-I281 VanDerWaalsContact O-N 3.13Å
278	E	46.5	Very low	43.5	Very low	119 Å²	119	114.4 Å²	114.4	56%	0.556	63%	0.629	S	S	*	*	H	α-helix	trans	-64.2	-39.8	173.6	-78.4	-179.9	164	0	0	112.2	S274 A280 I281 R282	S274-E278 WeakPolarHBondContact O-CB 3.46Å; S274-E278 WeakPolarHBondContact O-CG 3.39Å; S274-E278 PolarHBondContact O-N 2.69Å; E278-A280 VanDerWaalsContact C-N 3.34Å; E278-A280 PolarHBondContact O-N 2.97Å; E278-I281 PolarHBondContact O-N 2.93Å; E278-R282 WeakPolarHBondContact O-CB 3.47Å; E278-R282 PolarHBondContact O-N 3.42Å
279	D	46.7	Very low	43.2	Very low	103 Å²	103	115.7 Å²	115.7	55%	0.551	64%	0.642	S	S	*	*	H	α-helix	trans	-67.7	-33	176.5	-76	-21.2	0	0	0	112.4	R275 I281 S283	R275-D279 WeakPolarHBondContact O-CB 3.34Å; R275-D279 VanDerWaalsContact O-CG 3.32Å; R275-D279 PolarHBondContact O-N 3.45Å; D279-I281 VanDerWaalsContact C-N 3.35Å; D279-S283 VanDerWaalsContact O-CB 3.3Å; D279-S283 WeakPolarHBondContact O-CB 3.44Å; D279-S283 PolarHBondContact O-N 2.72Å; D279-S283 PolarHBondContact O-OG 3.03Å
280	A	47.7	Very low	43.2	Very low	49 Å²	49	116 Å²	116	41%	0.405	65%	0.646	S	S	.	*	H	α-helix	trans	-72.3	-26.4	174.3	0	0	0	0	0	112.9	I277 E278 H284	I277-A280 PolarHBondContact O-N 3.01Å; E278-A280 VanDerWaalsContact C-N 3.34Å; E278-A280 PolarHBondContact O-N 2.97Å; A280-H284 PolarHBondContact O-CD2 3.22Å
281	I	55	Low	43.2	Very low	111 Å²	111	114.9 Å²	114.9	57%	0.569	65%	0.651	S	S	*	*	H	α-helix	trans	-85.3	-35.6	176.7	-64.6	167.7	0	0	0	110.7	I277 E278 D279 S285	I277-I281 HydrophobicContact CG2-CD1 3.98Å; I277-I281 VanDerWaalsContact O-CG1 3.32Å; I277-I281 WeakPolarHBondContact O-CG1 3.47Å; I277-I281 PolarHBondContact O-N 3.48Å; I277-I281 VanDerWaalsContact O-N 3.13Å; E278-I281 PolarHBondContact O-N 2.93Å; D279-I281 VanDerWaalsContact C-N 3.35Å; I281-S285 PolarHBondContact O-OG 2.9Å
282	R	49.9	Very low	43.2	Very low	189 Å²	189	114 Å²	114	71%	0.713	65%	0.653	S	S	*	*	H	α-helix	trans	-70.4	-38	175.3	-84.9	-178.8	171.7	174.3	-0.7	113.1	E278 H284 S285	E278-R282 WeakPolarHBondContact O-CB 3.47Å; E278-R282 PolarHBondContact O-N 3.42Å; R282-H284 PolarHBondContact O-N 2.96Å; R282-S285 PolarHBondContact O-N 2.93Å
283	S	49	Very low	42.9	Very low	77 Å²	77	117.2 Å²	117.2	54%	0.538	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.3	-6	179.2	54.2	0	0	0	0	115	D279	D279-S283 VanDerWaalsContact O-CB 3.3Å; D279-S283 WeakPolarHBondContact O-CB 3.44Å; D279-S283 PolarHBondContact O-N 2.72Å; D279-S283 PolarHBondContact O-OG 3.03Å
284	H	52.1	Low	42.7	Very low	167 Å²	167	118.2 Å²	118.2	77%	0.773	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	11.2	177	-71.2	-45.1	0	0	0	114.3	A280 R282	A280-H284 PolarHBondContact O-CD2 3.22Å; R282-H284 PolarHBondContact O-N 2.96Å
285	S	42.4	Very low	42.4	Very low	88 Å²	88	120.8 Å²	120.8	62%	0.615	70%	0.697	S	S	*	*			trans	-116.8	3.4	-178.1	-48.5	0	0	0	0	114.8	I281 R282 S287	I281-S285 PolarHBondContact O-OG 2.9Å; R282-S285 PolarHBondContact O-N 2.93Å; S285-S287 PolarHBondContact O-N 3.34Å
286	E	33.2	Very low	41.8	Very low	178 Å²	178	117.7 Å²	117.7	83%	0.832	70%	0.703	S	S	*	*			trans	-88.4	83.5	179.4	-72.1	-172.5	151.5	0	0	111.3
287	S	36.3	Very low	41.4	Very low	119 Å²	119	116.6 Å²	116.6	83%	0.832	71%	0.707	S	S	*	*			trans	-169.8	63.8	158.1	33.9	0	0	0	0	111.6	S285	S285-S287 PolarHBondContact O-N 3.34Å
288	A	37.3	Very low	40.4	Very low	99 Å²	99	121.4 Å²	121.4	82%	0.818	73%	0.733	S	S	*	*	S	Bend	trans	-165.6	123.3	150.7	0	0	0	0	0	110.2
289	S	35.5	Very low	40	Very low	124 Å²	124	122.7 Å²	122.7	87%	0.867	74%	0.744	S	S	*	*			trans	-66.8	165.4	-167.1	-50.2	0	0	0	0	116.2
290	P	36.4	Very low	39.7	Very low	117 Å²	117	125.3 Å²	125.3	76%	0.76	76%	0.757	S	S	*	*			trans	-103.7	164.5	-159.5	38.9	-31.2	0	0	0	114.5
291	S	36.8	Very low	38.9	Very low	129 Å²	129	128.3 Å²	128.3	90%	0.902	78%	0.775	S	S	*	*			trans	-149	123.8	160.4	-71.4	0	0	0	0	112
292	A	34.9	Very low	38.1	Very low	92 Å²	92	128.2 Å²	128.2	76%	0.76	78%	0.782	S	S	*	*			trans	-28.6	144.5	175.9	0	0	0	0	0	119.4
293	L	35.7	Very low	37.6	Very low	176 Å²	176	125.1 Å²	125.1	92%	0.921	78%	0.784	S	S	*	*				-171.4	139.6	109.8	-94.3	150.9	0	0	0	111.6
294	S	34.3	Very low	36.6	Very low	107 Å²	107	124.9 Å²	124.9	75%	0.748	79%	0.794	S	S	*	*			trans	-90.1	143.8	-167.5	52.8	0	0	0	0	114.1
295	S	35.9	Very low	35.9	Very low	121 Å²	121	129 Å²	129	85%	0.846	80%	0.802	S	S	*	*			trans	-178.8	111	134	52.4	0	0	0	0	111.4
296	S	31.6	Very low	35.6	Very low	114 Å²	114	130.2 Å²	130.2	80%	0.797	81%	0.811	S	S	*	*			trans	-90.2	161.6	153.6	-53.4	0	0	0	0	108.5
297	P	39.6	Very low	35.6	Very low	127 Å²	127	130 Å²	130	83%	0.825	81%	0.81	S	S	*	*				-150.5	168.6	83.5	34.1	-12.4	0	0	0	117
298	N	32.6	Very low	35.8	Very low	143 Å²	143	130 Å²	130	77%	0.765	81%	0.807	S	S	*	*			trans	-48.4	153.1	174.3	-61.8	-36.5	0	0	0	116.9
299	N	38	Very low	35.5	Very low	146 Å²	146	134.4 Å²	134.4	78%	0.781	81%	0.808	S	S	*	*			trans	-170.8	110.6	134.1	-90.4	-22.6	0	0	0	107.9
300	L	39.6	Very low	35.8	Very low	158 Å²	158	134.9 Å²	134.9	83%	0.827	81%	0.806	S	S	*	*				68.5	119.3	89.6	-80	153.8	0	0	0	114.2
301	S	30.5	Very low	35.9	Very low	113 Å²	113	135 Å²	135	79%	0.79	81%	0.807	S	S	*	*			trans	-59.3	-160.1	178.4	-36.4	0	0	0	0	114.3
302	P	38.9	Very low	35.8	Very low	108 Å²	108	135.4 Å²	135.4	70%	0.701	80%	0.804	S	S	*	*			cis	-137.5	-166.4	-18.4	22.6	3.7	0	0	0	112.2
303	T	38.5	Very low	36.3	Very low	125 Å²	125	136.9 Å²	136.9	77%	0.767	81%	0.805	S	S	*	*			trans	108.5	118.3	149.5	67.8	0	0	0	0	117.7
304	G	29.5	Very low	36.6	Very low	72 Å²	72	132.7 Å²	132.7	74%	0.742	80%	0.796	S	S	*	*			trans	-85.5	157.7	169.4	0	0	0	0	0	111.7
305	W	36.7	Very low	36.7	Very low	252 Å²	252	136.8 Å²	136.8	96%	0.955	80%	0.803	S	S	*	*			trans	-133.7	144.1	167.8	-83.3	-7.2	0	0	0	112.1
306	S	35.4	Very low	36.9	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	80%	0.802	S	S	*	*			trans	-73.7	160.1	-173.4	-51.1	0	0	0	0	114.1
307	Q	33.7	Very low	37.2	Very low	173 Å²	173	143.6 Å²	143.6	81%	0.808	80%	0.8	S	S	*	*			trans	-51.2	156.4	168.1	-70.5	-89.2	-28.9	0	0	114.3
308	P	40.6	Very low	36.8	Very low	118 Å²	118	149.2 Å²	149.2	77%	0.766	81%	0.805	S	S	*	*			trans	-126.8	129	138	16.9	3.2	0	0	0	113.3
309	K	30.8	Very low	37.2	Very low	192 Å²	192	146.8 Å²	146.8	84%	0.835	80%	0.804	S	S	*	*			trans	-79	140.3	159.7	-71.5	172.6	172.7	175	0	109.3
310	T	41.3	Very low	37.2	Very low	135 Å²	135	145.9 Å²	145.9	83%	0.828	81%	0.806	S	S	*	*			trans	177.1	159.7	153.3	37.1	0	0	0	0	110.7
311	P	39.4	Very low	37.1	Very low	120 Å²	120	145.2 Å²	145.2	78%	0.779	81%	0.809	S	S	*	*				-131.9	177.1	-82.2	23.8	2.6	0	0	0	113.6
312	V	34.2	Very low	37.6	Very low	137 Å²	137	145.7 Å²	145.7	83%	0.83	81%	0.812	S	S	*	*			trans	-74.1	145.2	175.4	178.5	0	0	0	0	112
313	P	46.7	Very low	37.5	Very low	122 Å²	122	143.3 Å²	143.3	79%	0.792	81%	0.807	S	S	*	*			trans	-108	142.9	156.9	9.3	11.3	0	0	0	113.1
314	A	40.9	Very low	37.7	Very low	89 Å²	89	144.3 Å²	144.3	74%	0.736	81%	0.813	S	S	*	*			trans	-93.6	154.6	-174	0	0	0	0	0	114.6
315	Q	37	Very low	38.1	Very low	192 Å²	192	150.5 Å²	150.5	90%	0.897	82%	0.823	S	S	*	*			trans	30.2	120.4	145.3	-73.3	-175.2	-28	0	0	122
316	R	39	Very low	38.5	Very low	218 Å²	218	146.9 Å²	146.9	82%	0.823	82%	0.817	S	S	*	*			trans	177.4	145	130.9	-110.9	-179.3	154.4	148.7	-2.1	107.6
317	E	38.2	Very low	38.8	Very low	160 Å²	160	151.3 Å²	151.3	75%	0.748	82%	0.821	S	S	*	*			cis	-167.1	159.3	3	-140.7	155.9	-170.1	0	0	105.3
318	R	30.7	Very low	39.2	Very low	246 Å²	246	150.2 Å²	150.2	93%	0.928	82%	0.821	S	S	*	*			trans	-111.6	140.9	-169.3	-167.8	178.6	-155.6	178.3	5	110.9
319	A	41.8	Very low	39.4	Very low	91 Å²	91	154 Å²	154	75%	0.752	83%	0.825	S	S	*	*			trans	149.9	166.2	141.7	0	0	0	0	0	112.6
320	P	37.9	Very low	40	Very low	127 Å²	127	152.7 Å²	152.7	83%	0.825	83%	0.826	S	S	*	*				-132.1	-177.3	-60.5	38.5	-21.6	0	0	0	113.6
321	V	36.5	Very low	40	Very low	145 Å²	145	157 Å²	157	88%	0.879	83%	0.827	S	S	*	*			trans	-58.8	137.9	-168.1	-178.3	0	0	0	0	117.3
322	S	42.4	Very low	40.1	Very low	122 Å²	122	157.1 Å²	157.1	85%	0.853	83%	0.828	S	S	*	*			trans	-158.2	126.9	143.8	176.9	0	0	0	0	105.6
323	G	35.7	Very low	40.5	Very low	58 Å²	58	162.6 Å²	162.6	60%	0.598	83%	0.833	S	S	*	*			cis	125.7	76.2	31.3	0	0	0	0	0	107.2
324	T	44.1	Very low	40.2	Very low	147 Å²	147	159.8 Å²	159.8	90%	0.902	83%	0.827	S	S	*	*			trans	-163.1	114.5	160	12.1	0	0	0	0	109.7	E326	T324-E326 PolarHBondContact O-N 2.89Å
325	Q	37.5	Very low	40.4	Very low	202 Å²	202	165 Å²	165	94%	0.944	84%	0.836	S	S	*	*			trans	-71.2	116.6	174.3	-70.9	-178.6	-3.3	0	0	109.2
326	E	44.7	Very low	40.8	Very low	176 Å²	176	167.3 Å²	167.3	82%	0.822	84%	0.836	S	S	*	*			trans	-125.2	121.5	159.8	-129.8	-176	168.9	0	0	109.4	T324 N328	T324-E326 PolarHBondContact O-N 2.89Å; E326-N328 VanDerWaalsContact C-N 3.32Å; E326-N328 PolarHBondContact O-N 3.45Å
327	K	42.3	Very low	41.8	Very low	207 Å²	207	162.3 Å²	162.3	90%	0.9	83%	0.826	S	S	*	*			trans	-64.4	85.5	-177.7	-76.2	172.4	170.7	171.7	0	110.2	K329	K327-K329 PolarHBondContact O-N 3.14Å
328	N	41.1	Very low	43.3	Very low	150 Å²	150	157.3 Å²	157.3	80%	0.802	81%	0.809	S	S	*	*			trans	-73.4	95	167.8	-91.9	-29.5	0	0	0	110.1	E326 I330	E326-N328 VanDerWaalsContact C-N 3.32Å; E326-N328 PolarHBondContact O-N 3.45Å; N328-I330 PolarHBondContact O-N 3.27Å
329	K	44.7	Very low	45.1	Very low	197 Å²	197	146.8 Å²	146.8	86%	0.857	77%	0.773	S	S	*	*			trans	-49.9	108.6	160.3	-93.9	177.2	171.4	176.3	0	108.8	K327 R331	K327-K329 PolarHBondContact O-N 3.14Å; K329-R331 PolarHBondContact O-N 2.87Å
330	I	44.6	Very low	46.4	Very low	165 Å²	165	150.5 Å²	150.5	85%	0.846	77%	0.768	S	S	*	*			trans	-60.2	102	168.5	-61.5	167.2	0	0	0	107.1	N328	N328-I330 PolarHBondContact O-N 3.27Å
331	R	41.7	Very low	48.4	Very low	226 Å²	226	153.6 Å²	153.6	85%	0.853	77%	0.765	S	S	*	*			trans	-64.3	137	168.4	-74.9	-176.4	176.2	-172.3	-0.8	108.2	K329 R333	K329-R331 PolarHBondContact O-N 2.87Å; R331-R333 PolarHBondContact O-N 2.86Å
332	P	40.9	Very low	50.8	Low	122 Å²	122	151.1 Å²	151.1	79%	0.792	74%	0.74	S	S	*	*			trans	-63.2	124.2	175.9	26.7	-30.3	0	0	0	107.9	G334	P332-G334 PolarHBondContact O-N 3.22Å
333	R	41.8	Very low	53.2	Low	253 Å²	253	148.5 Å²	148.5	96%	0.955	71%	0.714	S	S	*	*			trans	-55.6	102.5	168.2	-87.1	179.5	168.7	175	-3.3	107.2	R331 Q335	R331-R333 PolarHBondContact O-N 2.86Å; R333-Q335 PolarHBondContact O-N 2.69Å
334	G	40.5	Very low	55.9	Low	63 Å²	63	146 Å²	146	65%	0.649	69%	0.688	S	S	*	*			trans	-53.4	133.8	171.8	0	0	0	0	0	109	P332 R336	P332-G334 PolarHBondContact O-N 3.22Å; G334-R336 VanDerWaalsContact C-N 3.31Å; G334-R336 PolarHBondContact O-N 3.13Å
335	Q	45.6	Very low	58.2	Low	199 Å²	199	144.4 Å²	144.4	93%	0.93	67%	0.669	S	S	*	*			trans	-51.5	98.1	168.5	-87.8	175.9	-29.1	0	0	108.1	R333 D337	R333-Q335 PolarHBondContact O-N 2.69Å; Q335-D337 PolarHBondContact O-N 2.9Å; Q335-D337 VanDerWaalsContact O-N 3.08Å
336	R	45.4	Very low	60.7	Low	239 Å²	239	136.2 Å²	136.2	90%	0.902	64%	0.637	S	S	*	*			trans	-66	109.2	167.2	-87.9	-177.1	174.7	172.9	-3	106.1	G334 S338	G334-R336 VanDerWaalsContact C-N 3.31Å; G334-R336 PolarHBondContact O-N 3.13Å; R336-S338 PolarHBondContact O-N 3.1Å
337	D	59.6	Low	62.9	Low	113 Å²	113	132.7 Å²	132.7	60%	0.604	63%	0.632	S	S	*	*			trans	-55.9	119.6	171.4	-174.6	6	0	0	0	108.2	Q335 S339	Q335-D337 PolarHBondContact O-N 2.9Å; Q335-D337 VanDerWaalsContact O-N 3.08Å; D337-S339 PolarHBondContact O-N 2.71Å; D337-S339 VanDerWaalsContact O-N 3.07Å; D337-S339 PolarHBondContact OD1-N 2.98Å; D337-S339 VanDerWaalsContact OD1-N 3.17Å; D337-S339 PolarHBondContact OD1-OG 3.33Å; D337-S339 VanDerWaalsContact OD2-CB 3.3Å; D337-S339 WeakPolarHBondContact OD2-CB 3.48Å; D337-S339 PolarHBondContact OD2-OG 3.05Å
338	S	70.5	Confident	65.4	Low	56 Å²	56	127.6 Å²	127.6	39%	0.392	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-69.6	0.4	179.6	-179.5	0	0	0	0	111.4	R336 Y340 Y341 R398	R336-S338 PolarHBondContact O-N 3.1Å; S338-Y340 VanDerWaalsContact C-N 3.26Å; S338-Y340 PolarHBondContact O-N 3.35Å; S338-Y341 PolarHBondContact O-N 3.43Å; S338-R398 VanDerWaalsContact C-NH2 3.28Å; S338-R398 VanDerWaalsContact O-CZ 3.31Å; S338-R398 PolarHBondContact O-NH1 3.31Å; S338-R398 PolarHBondContact O-NH2 2.91Å; S338-R398 PolarHBondContact OG-NH2 2.8Å
339	S	67.9	Low	67.9	Low	25 Å²	25	121 Å²	121	18%	0.175	58%	0.576	C	S	.	*	G	3₁₀ helix	trans	-42.4	-50.8	174.3	54	0	0	0	0	112.6	D337 Y341 W342 R398 Y411	D337-S339 PolarHBondContact O-N 2.71Å; D337-S339 VanDerWaalsContact O-N 3.07Å; D337-S339 PolarHBondContact OD1-N 2.98Å; D337-S339 VanDerWaalsContact OD1-N 3.17Å; D337-S339 PolarHBondContact OD1-OG 3.33Å; D337-S339 VanDerWaalsContact OD2-CB 3.3Å; D337-S339 WeakPolarHBondContact OD2-CB 3.48Å; D337-S339 PolarHBondContact OD2-OG 3.05Å; S339-Y341 VanDerWaalsContact C-N 3.26Å; S339-Y341 PolarHBondContact O-N 3.3Å; S339-W342 PolarHBondContact O-N 2.84Å; S339-W342 VanDerWaalsContact O-N 3.08Å; S339-R398 PolarHBondContact O-NH1 3.26Å; S339-Y411 PolarHBondContact O-OH 2.97Å
340	Y	69.4	Low	70.3	Confident	168 Å²	168	118.2 Å²	118.2	66%	0.659	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-53.3	-32.1	-175	-172.8	-105.9	0	0	0	115.6	S338 W342 E343	S338-Y340 VanDerWaalsContact C-N 3.26Å; S338-Y340 PolarHBondContact O-N 3.35Å; Y340-W342 PolarHBondContact O-N 3.38Å; Y340-W342 VanDerWaalsContact O-N 3.15Å; Y340-E343 PolarHBondContact O-N 3.08Å
341	Y	78.9	Confident	72.7	Confident	192 Å²	192	114 Å²	114	75%	0.753	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-69.8	-9.5	-178.9	-69.9	-76.7	0	0	0	115	S338 S339	S338-Y341 PolarHBondContact O-N 3.43Å; S339-Y341 VanDerWaalsContact C-N 3.26Å; S339-Y341 PolarHBondContact O-N 3.3Å
342	W	87.3	Confident	75.1	Confident	93 Å²	93	106.5 Å²	106.5	35%	0.352	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-120.4	3.4	-176.2	-59.5	66.1	0	0	0	112.1	S339 Y340 R398 F408 G410 Y411	S339-W342 PolarHBondContact O-N 2.84Å; S339-W342 VanDerWaalsContact O-N 3.08Å; Y340-W342 PolarHBondContact O-N 3.38Å; Y340-W342 VanDerWaalsContact O-N 3.15Å; W342-R398 HydrophobicContact CD2-CG 4.24Å; W342-R398 HydrophobicContact CG-CG 4.32Å; W342-R398 VanDerWaalsContact NE1-CZ 3.25Å; W342-F408 HydrophobicContact CB-CE1 4.45Å; W342-F408 HydrophobicContact CD2-CE1 4.4Å; W342-F408 HydrophobicContact CE3-CD1 4.06Å; W342-F408 AromaticContact CE3-CE1 3.86Å; W342-F408 HydrophobicContact CE3-CE1 3.86Å; W342-F408 HydrophobicContact CZ3-CD1 4.33Å; W342-G410 CarbonylContact O-C 3.55Å; W342-G410 WeakPolarHBondContact O-CA 3.17Å; W342-Y411 HydrophobicContact CB-CD1 4.2Å; W342-Y411 HydrophobicContact CB-CE1 3.99Å; W342-Y411 WeakPolarHBondContact O-CD1 3.5Å; W342-Y411 PolarHBondContact O-N 3.32Å
343	E	92.5	Very high	77.7	Confident	67 Å²	67	104.7 Å²	104.7	31%	0.313	52%	0.515	S	S	.	.	B	Isolated β-bridge	trans	-82	122	172.3	-168.3	159	-170.6	0	0	108.1	Y340 Y411 T413	Y340-E343 PolarHBondContact O-N 3.08Å; E343-Y411 CarbonylContact C-O 3.58Å; E343-Y411 WeakPolarHBondContact CA-O 3.4Å; E343-Y411 HydrophobicContact CB-CE1 4.26Å; E343-Y411 HydrophobicContact CB-CE2 3.9Å; E343-Y411 HydrophobicContact CG-CD2 4.42Å; E343-Y411 HydrophobicContact CG-CE2 3.8Å; E343-Y411 PolarHBondContact OE2-OH 3.11Å; E343-T413 HydrophobicContact CG-CG2 4.49Å; E343-T413 WeakPolarHBondContact OE1-CB 3.33Å; E343-T413 VanDerWaalsContact OE1-CG2 3.25Å; E343-T413 WeakPolarHBondContact OE1-CG2 3.39Å; E343-T413 PolarHBondContact OE1-OG1 2.88Å
344	I	93.2	Very high	80.3	Confident	7 Å²	7	100.2 Å²	100.2	4%	0.036	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-103.1	131	-177.4	-58.6	168.4	0	0	0	107.5	E348 V349 W368 Y411 M412 V420	I344-E348 HydrophobicContact CG2-CB 4.18Å; I344-V349 HydrophobicContact CG2-CG2 3.51Å; I344-W368 HydrophobicContact CD1-CD2 3.99Å; I344-W368 HydrophobicContact CD1-CE3 4.16Å; I344-W368 HydrophobicContact CD1-CH2 3.91Å; I344-W368 HydrophobicContact CD1-CZ2 3.74Å; I344-W368 HydrophobicContact CD1-CZ3 4.12Å; I344-W368 HydrophobicContact CG1-CH2 4.27Å; I344-W368 HydrophobicContact CG1-CZ2 3.76Å; I344-W368 HydrophobicContact CG2-CZ2 4.43Å; I344-Y411 PolarHBondContact N-O 3.28Å; I344-M412 HydrophobicContact CB-CG 4.28Å; I344-V420 HydrophobicContact CD1-CB 4Å; I344-V420 HydrophobicContact CD1-CG1 4.34Å; I344-V420 HydrophobicContact CD1-CG2 3.9Å
345	E	91.9	Very high	82.7	Confident	112 Å²	112	101.5 Å²	101.5	52%	0.523	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-69.3	134.7	172.5	-61.9	-166.6	170.7	0	0	110	S347 E348	E345-S347 PolarHBondContact O-N 2.94Å; E345-S347 VanDerWaalsContact O-N 3.09Å; E345-E348 HydrophobicContact CB-CG 4.2Å; E345-E348 WeakPolarHBondContact O-CB 3.43Å; E345-E348 PolarHBondContact O-N 3.44Å
346	A	90.1	Very high	84.6	Confident	31 Å²	31	93.5 Å²	93.5	26%	0.256	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-58.8	-26.9	-178	0	0	0	0	0	113.1	E348 V349 M412	A346-E348 VanDerWaalsContact C-N 3.25Å; A346-E348 PolarHBondContact O-N 3.35Å; A346-V349 PolarHBondContact O-N 2.94Å; A346-M412 HydrophobicContact CB-SD 4.44Å
347	S	92.1	Very high	86.4	Confident	102 Å²	102	84.6 Å²	84.6	71%	0.713	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-64.1	-24	173.7	41.1	0	0	0	0	114	E345	E345-S347 PolarHBondContact O-N 2.94Å; E345-S347 VanDerWaalsContact O-N 3.09Å
348	E	93.1	Very high	87.1	Confident	99 Å²	99	81.3 Å²	81.3	46%	0.463	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-82.3	-18.1	179.6	-63	179.7	-169.7	0	0	112.9	I344 E345 A346 W368	I344-E348 HydrophobicContact CG2-CB 4.18Å; E345-E348 HydrophobicContact CB-CG 4.2Å; E345-E348 WeakPolarHBondContact O-CB 3.43Å; E345-E348 PolarHBondContact O-N 3.44Å; A346-E348 VanDerWaalsContact C-N 3.25Å; A346-E348 PolarHBondContact O-N 3.35Å; E348-W368 PolarHBondContact OE2-NE1 3.15Å
349	V	94.2	Very high	87	Confident	13 Å²	13	82.9 Å²	82.9	8%	0.079	44%	0.439	C	S	.	.			trans	-105.4	112.3	-172.8	-175.9	0	0	0	0	110.3	I344 A346 L351 W368 V374 M412	I344-V349 HydrophobicContact CG2-CG2 3.51Å; A346-V349 PolarHBondContact O-N 2.94Å; V349-L351 HydrophobicContact CG1-CD2 4.28Å; V349-L351 PolarHBondContact O-N 3.26Å; V349-W368 HydrophobicContact CG2-CB 4.17Å; V349-W368 HydrophobicContact CG2-CG 4.13Å; V349-V374 HydrophobicContact CG1-CG2 3.75Å; V349-M412 HydrophobicContact CB-SD 4.12Å; V349-M412 HydrophobicContact CG2-SD 3.82Å
350	M	95.3	Very high	87	Confident	137 Å²	137	83.3 Å²	83.3	68%	0.675	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	105.8	173.5	-174.5	-177.4	-66.9	0	0	110	G366 K367	M350-G366 CarbonylContact O-C 3.42Å; M350-G366 WeakPolarHBondContact O-CA 3.46Å; M350-K367 HydrophobicContact CB-CB 4.36Å; M350-K367 PolarHBondContact N-O 3Å; M350-K367 PolarHBondContact O-N 2.94Å
351	L	94.6	Very high	87.6	Confident	76 Å²	76	75.4 Å²	75.4	40%	0.398	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	137.3	173.2	-62	175.7	0	0	0	110.6	V349 V374 I376	V349-L351 HydrophobicContact CG1-CD2 4.28Å; V349-L351 PolarHBondContact O-N 3.26Å; L351-V374 HydrophobicContact CD2-CB 3.74Å; L351-V374 HydrophobicContact CD2-CG1 3.81Å; L351-V374 HydrophobicContact CD2-CG2 3.86Å; L351-I376 HydrophobicContact CD1-CD1 3.8Å
352	S	93.3	Very high	88.1	Confident	69 Å²	69	67.1 Å²	67.1	48%	0.483	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-113.3	-179.8	67.2	0	0	0	0	111.2	K365	S352-K365 WeakPolarHBondContact CA-O 3.39Å; S352-K365 WeakPolarHBondContact CB-O 3.19Å; S352-K365 PolarHBondContact N-O 2.96Å; S352-K365 PolarHBondContact OG-O 3.08Å
353	T	94.9	Very high	88.3	Confident	84 Å²	84	64.6 Å²	64.6	52%	0.515	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	137.4	-176.3	53	0	0	0	0	112.1	I355 Y364 K365	T353-I355 PolarHBondContact O-N 3.41Å; T353-Y364 CarbonylContact O-C 3.58Å; T353-Y364 WeakPolarHBondContact O-CA 3.08Å; T353-K365 PolarHBondContact O-N 3.19Å
354	R	95.1	Very high	88.4	Confident	159 Å²	159	64.2 Å²	64.2	60%	0.6	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	121.6	168.1	-178.8	177.8	166.4	-165.2	-4.4	109.1	T362 Y364	R354-T362 HydrophobicContact CG-CG2 3.8Å; R354-Y364 HydrophobicContact CB-CD1 3.82Å; R354-Y364 HydrophobicContact CB-CE1 3.64Å; R354-Y364 HydrophobicContact CG-CD1 4.32Å; R354-Y364 HydrophobicContact CG-CE1 3.93Å
355	I	90.9	Very high	88.6	Confident	91 Å²	91	65.8 Å²	65.8	47%	0.467	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-44	-177.5	-56.4	-55.1	0	0	0	111.3	T353 V363 K365 W423	T353-I355 PolarHBondContact O-N 3.41Å; I355-V363 HydrophobicContact CB-CG1 4.49Å; I355-V363 PolarHBondContact N-O 3.2Å; I355-K365 HydrophobicContact CD1-CB 4.07Å; I355-K365 HydrophobicContact CG1-CB 4.22Å; I355-W423 HydrophobicContact CD1-CH2 3.7Å; I355-W423 HydrophobicContact CD1-CZ3 4.23Å; I355-W423 HydrophobicContact CG1-CH2 3.84Å; I355-W423 HydrophobicContact CG1-CZ3 3.9Å
356	G	85.7	Confident	88.8	Confident	30 Å²	30	60.4 Å²	60.4	31%	0.309	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.9	162	-177.2	0	0	0	0	0	112.4	T362 V363	G356-T362 CarbonylContact O-C 3.58Å; G356-T362 WeakPolarHBondContact O-CA 3.34Å; G356-T362 WeakPolarHBondContact O-CG2 3.34Å; G356-V363 PolarHBondContact N-O 3.35Å; G356-V363 PolarHBondContact O-N 3.45Å
357	S	84.7	Confident	89.1	Confident	53 Å²	53	64.9 Å²	64.9	37%	0.371	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.4	175.3	149.1	0	0	0	0	108.8	K378	S357-K378 WeakPolarHBondContact OG-CE 3.36Å; S357-K378 PolarHBondContact OG-NZ 3.47Å
358	G	73.5	Confident	89.2	Confident	43 Å²	43	62.4 Å²	62.4	44%	0.443	34%	0.337	S	S	.	.			trans	-92.6	-170.6	171.2	0	0	0	0	0	112.2	F360 G361 K378	G358-F360 VanDerWaalsContact C-N 3.26Å; G358-F360 PolarHBondContact O-N 3.42Å; G358-G361 PolarHBondContact N-O 2.94Å; G358-K378 WeakPolarHBondContact O-CE 3.42Å; G358-K378 PolarHBondContact O-NZ 2.97Å
359	S	67.5	Low	89.3	Confident	90 Å²	90	66 Å²	66	63%	0.629	35%	0.354	S	S	*	.	S	Bend	trans	-66.9	-25.1	175.9	44.4	0	0	0	0	113.5
360	F	69.3	Low	89.3	Confident	34 Å²	34	67.5 Å²	67.5	15%	0.149	37%	0.371	C	S	.	.	S	Bend	trans	-111.9	-15.8	-172	-52.5	-65	0	0	0	114.7	G358 L377 K378 K493 W496	G358-F360 VanDerWaalsContact C-N 3.26Å; G358-F360 PolarHBondContact O-N 3.42Å; F360-L377 WeakPolarHBondContact O-CA 3.42Å; F360-K378 PolarHBondContact O-N 2.94Å; F360-K493 HydrophobicContact CD1-CB 4.22Å; F360-K493 HydrophobicContact CD1-CG 3.87Å; F360-K493 HydrophobicContact CD2-CD 3.89Å; F360-K493 HydrophobicContact CD2-CG 3.74Å; F360-K493 HydrophobicContact CE1-CB 3.46Å; F360-K493 VanDerWaalsContact CE1-CB 3.46Å; F360-K493 HydrophobicContact CE1-CD 4.09Å; F360-K493 HydrophobicContact CE1-CG 3.42Å; F360-K493 VanDerWaalsContact CE1-CG 3.42Å; F360-K493 HydrophobicContact CE2-CB 4.14Å; F360-K493 HydrophobicContact CE2-CD 3.1Å; F360-K493 HydrophobicContact CE2-CG 3.28Å; F360-K493 HydrophobicContact CG-CG 4.03Å; F360-K493 HydrophobicContact CZ-CB 3.44Å; F360-K493 VanDerWaalsContact CZ-CB 3.44Å; F360-K493 HydrophobicContact CZ-CD 3.25Å; F360-K493 HydrophobicContact CZ-CG 3.12Å; F360-W496 HydrophobicContact CB-CE3 3.98Å; F360-W496 HydrophobicContact CB-CZ3 3.57Å; F360-W496 AromaticContact CD1-CE3 3.46Å; F360-W496 HydrophobicContact CD1-CE3 3.46Å; F360-W496 VanDerWaalsContact CD1-CE3 3.46Å; F360-W496 AromaticContact CD1-CZ3 3.83Å; F360-W496 HydrophobicContact CD1-CZ3 3.83Å; F360-W496 HydrophobicContact CE1-CE3 4.32Å; F360-W496 AromaticContact CG-CE3 3.93Å; F360-W496 HydrophobicContact CG-CE3 3.93Å; F360-W496 AromaticContact CG-CZ3 3.78Å; F360-W496 HydrophobicContact CG-CZ3 3.78Å
361	G	81	Confident	89.4	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.01	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	164	-171.1	0	0	0	0	0	112.5	G358 I376	G358-G361 PolarHBondContact N-O 2.94Å; G361-I376 CarbonylContact C-O 3.57Å; G361-I376 WeakPolarHBondContact CA-O 3.18Å
362	T	90.1	Very high	89.4	Confident	18 Å²	18	60.2 Å²	60.2	11%	0.11	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.9	172.5	-55.4	0	0	0	0	108.5	R354 G356 Y364 I376	R354-T362 HydrophobicContact CG-CG2 3.8Å; G356-T362 CarbonylContact O-C 3.58Å; G356-T362 WeakPolarHBondContact O-CA 3.34Å; G356-T362 WeakPolarHBondContact O-CG2 3.34Å; T362-Y364 HydrophobicContact CG2-CD2 4.18Å; T362-Y364 HydrophobicContact CG2-CE1 4.44Å; T362-Y364 HydrophobicContact CG2-CE2 3.44Å; T362-Y364 VanDerWaalsContact CG2-CE2 3.44Å; T362-I376 PolarHBondContact N-O 3.44Å; T362-I376 PolarHBondContact O-N 3.34Å
363	V	92	Very high	89.5	Confident	40 Å²	40	57.5 Å²	57.5	24%	0.242	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	129.5	179	-176.7	0	0	0	0	109.1	I355 G356 A373 V374 K375	I355-V363 HydrophobicContact CB-CG1 4.49Å; I355-V363 PolarHBondContact N-O 3.2Å; G356-V363 PolarHBondContact N-O 3.35Å; G356-V363 PolarHBondContact O-N 3.45Å; V363-A373 HydrophobicContact CG1-CB 4.42Å; V363-V374 CarbonylContact C-O 3.54Å; V363-V374 WeakPolarHBondContact CA-O 3.49Å; V363-K375 HydrophobicContact CG2-CB 4.11Å; V363-K375 HydrophobicContact CG2-CD 4.15Å; V363-K375 HydrophobicContact CG2-CG 3.92Å
364	Y	95	Very high	89.5	Confident	59 Å²	59	53.5 Å²	53.5	23%	0.231	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	146.6	174.2	-62.9	-95.7	0	0	0	109.1	T353 R354 T362 V374 I376	T353-Y364 CarbonylContact O-C 3.58Å; T353-Y364 WeakPolarHBondContact O-CA 3.08Å; R354-Y364 HydrophobicContact CB-CD1 3.82Å; R354-Y364 HydrophobicContact CB-CE1 3.64Å; R354-Y364 HydrophobicContact CG-CD1 4.32Å; R354-Y364 HydrophobicContact CG-CE1 3.93Å; T362-Y364 HydrophobicContact CG2-CD2 4.18Å; T362-Y364 HydrophobicContact CG2-CE1 4.44Å; T362-Y364 HydrophobicContact CG2-CE2 3.44Å; T362-Y364 VanDerWaalsContact CG2-CE2 3.44Å; Y364-V374 PolarHBondContact N-O 2.92Å; Y364-V374 PolarHBondContact O-N 3.47Å; Y364-I376 HydrophobicContact CD2-CD1 3.89Å; Y364-I376 HydrophobicContact CD2-CG1 4.35Å; Y364-I376 HydrophobicContact CE2-CB 4.42Å; Y364-I376 HydrophobicContact CE2-CD1 3.78Å; Y364-I376 HydrophobicContact CE2-CG1 4.4Å
365	K	96	Very high	89.3	Confident	40 Å²	40	47.2 Å²	47.2	17%	0.174	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	137.6	159	-174.6	170.6	-176.5	170.2	0	107.1	S352 T353 I355 D371 W423 E425	S352-K365 WeakPolarHBondContact CA-O 3.39Å; S352-K365 WeakPolarHBondContact CB-O 3.19Å; S352-K365 PolarHBondContact N-O 2.96Å; S352-K365 PolarHBondContact OG-O 3.08Å; T353-K365 PolarHBondContact O-N 3.19Å; I355-K365 HydrophobicContact CD1-CB 4.07Å; I355-K365 HydrophobicContact CG1-CB 4.22Å; K365-D371 VanDerWaalsContact CE-CG 3.46Å; K365-D371 WeakPolarHBondContact CE-OD2 3.44Å; K365-D371 IonicContact NZ-OD2 2.75Å; K365-D371 PolarHBondContact NZ-OD2 2.99Å; K365-W423 HydrophobicContact CB-CE3 4.17Å; K365-W423 HydrophobicContact CB-CH2 4.07Å; K365-W423 HydrophobicContact CB-CZ3 3.76Å; K365-W423 HydrophobicContact CD-CD2 4.11Å; K365-W423 HydrophobicContact CD-CE3 4.28Å; K365-W423 HydrophobicContact CD-CH2 4.05Å; K365-W423 HydrophobicContact CD-CZ2 3.83Å; K365-W423 HydrophobicContact CD-CZ3 4.26Å; K365-W423 HydrophobicContact CG-CD2 4.16Å; K365-W423 HydrophobicContact CG-CE3 3.92Å; K365-W423 HydrophobicContact CG-CH2 4.24Å; K365-W423 HydrophobicContact CG-CZ2 4.44Å; K365-W423 HydrophobicContact CG-CZ3 3.97Å; K365-E425 IonicContact NZ-OE1 3.93Å
366	G	95.9	Very high	89.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	176.3	176.5	0	0	0	0	0	112.1	M350 V372	M350-G366 CarbonylContact O-C 3.42Å; M350-G366 WeakPolarHBondContact O-CA 3.46Å; G366-V372 PolarHBondContact N-O 3.49Å; G366-V372 WeakPolarHBondContact O-CG2 3.48Å; G366-V372 PolarHBondContact O-N 2.87Å
367	K	96.8	Very high	89.3	Confident	124 Å²	124	42.6 Å²	42.6	54%	0.539	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124	171	-68.2	-166	172.9	-173.3	0	111	M350 G370	M350-K367 HydrophobicContact CB-CB 4.36Å; M350-K367 PolarHBondContact N-O 3Å; M350-K367 PolarHBondContact O-N 2.94Å; K367-G370 CarbonylContact C-O 3.57Å; K367-G370 VanDerWaalsContact CA-O 3.29Å; K367-G370 WeakPolarHBondContact CA-O 3.35Å
368	W	95.1	Very high	89.2	Confident	50 Å²	50	45.4 Å²	45.4	19%	0.189	24%	0.244	C	C	.	.	S	Bend	trans	-154.6	106.1	171	-178.3	78.8	0	0	0	107.9	I344 E348 V349 G370 V372 M409	I344-W368 HydrophobicContact CD1-CD2 3.99Å; I344-W368 HydrophobicContact CD1-CE3 4.16Å; I344-W368 HydrophobicContact CD1-CH2 3.91Å; I344-W368 HydrophobicContact CD1-CZ2 3.74Å; I344-W368 HydrophobicContact CD1-CZ3 4.12Å; I344-W368 HydrophobicContact CG1-CH2 4.27Å; I344-W368 HydrophobicContact CG1-CZ2 3.76Å; I344-W368 HydrophobicContact CG2-CZ2 4.43Å; E348-W368 PolarHBondContact OE2-NE1 3.15Å; V349-W368 HydrophobicContact CG2-CB 4.17Å; V349-W368 HydrophobicContact CG2-CG 4.13Å; W368-G370 PolarHBondContact N-O 3.04Å; W368-G370 PolarHBondContact O-N 3.35Å; W368-V372 HydrophobicContact CB-CG1 4.21Å; W368-V372 HydrophobicContact CB-CG2 4.07Å; W368-V372 WeakPolarHBondContact O-CG1 3.49Å; W368-M409 HydrophobicContact CE3-CB 4.45Å; W368-M409 HydrophobicContact CZ3-CB 3.97Å
369	H	94.2	Very high	89.3	Confident	176 Å²	176	44.6 Å²	44.6	82%	0.815	23%	0.231	S	C	*	.	S	Bend	trans	49.6	28.1	-169.5	-60.3	-60.9	0	0	0	115.1
370	G	94.8	Very high	89.7	Confident	43 Å²	43	46.5 Å²	46.5	44%	0.443	24%	0.238	S	C	.	.	S	Bend	trans	134.7	-175.7	-171.8	0	0	0	0	0	111.2	K367 W368	K367-G370 CarbonylContact C-O 3.57Å; K367-G370 VanDerWaalsContact CA-O 3.29Å; K367-G370 WeakPolarHBondContact CA-O 3.35Å; W368-G370 PolarHBondContact N-O 3.04Å; W368-G370 PolarHBondContact O-N 3.35Å
371	D	96.4	Very high	90.3	Very high	59 Å²	59	51.6 Å²	51.6	32%	0.316	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129.4	176.1	-78.3	-3	0	0	0	110.7	K365 W423	K365-D371 VanDerWaalsContact CE-CG 3.46Å; K365-D371 WeakPolarHBondContact CE-OD2 3.44Å; K365-D371 IonicContact NZ-OD2 2.75Å; K365-D371 PolarHBondContact NZ-OD2 2.99Å; D371-W423 HydrophobicContact CB-CB 3.93Å; D371-W423 HydrophobicContact CB-CG 4.16Å; D371-W423 VanDerWaalsContact O-CB 3.31Å; D371-W423 WeakPolarHBondContact O-CB 3.42Å; D371-W423 PolarHBondContact O-N 3.15Å
372	V	96.3	Very high	90.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	156.3	-177.8	-60.1	0	0	0	0	111.7	G366 W368 V374 M409 V420	G366-V372 PolarHBondContact N-O 3.49Å; G366-V372 WeakPolarHBondContact O-CG2 3.48Å; G366-V372 PolarHBondContact O-N 2.87Å; W368-V372 HydrophobicContact CB-CG1 4.21Å; W368-V372 HydrophobicContact CB-CG2 4.07Å; W368-V372 WeakPolarHBondContact O-CG1 3.49Å; V372-V374 HydrophobicContact CG2-CG2 3.87Å; V372-M409 HydrophobicContact CB-SD 4.33Å; V372-M409 HydrophobicContact CG1-CE 4.34Å; V372-M409 HydrophobicContact CG1-SD 3.46Å; V372-M409 WeakPolarHBondContact CG1-SD 3.48Å; V372-V420 HydrophobicContact CB-CG1 3.84Å; V372-V420 HydrophobicContact CG1-CG1 4.17Å; V372-V420 HydrophobicContact CG2-CG1 3.96Å
373	A	94.7	Very high	90	Very high	13 Å²	13	55.7 Å²	55.7	11%	0.107	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.7	167.2	0	0	0	0	0	109.2	V363 V420 T421 W423	V363-A373 HydrophobicContact CG1-CB 4.42Å; A373-V420 WeakPolarHBondContact O-CA 3.45Å; A373-T421 PolarHBondContact N-O 3.08Å; A373-T421 PolarHBondContact O-N 3.46Å; A373-W423 HydrophobicContact CB-CE3 4.08Å
374	V	94.1	Very high	89.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	109.9	-178.5	-171	0	0	0	0	109.1	V349 L351 V363 Y364 V372 I376 M412 A418 V420	V349-V374 HydrophobicContact CG1-CG2 3.75Å; L351-V374 HydrophobicContact CD2-CB 3.74Å; L351-V374 HydrophobicContact CD2-CG1 3.81Å; L351-V374 HydrophobicContact CD2-CG2 3.86Å; V363-V374 CarbonylContact C-O 3.54Å; V363-V374 WeakPolarHBondContact CA-O 3.49Å; Y364-V374 PolarHBondContact N-O 2.92Å; Y364-V374 PolarHBondContact O-N 3.47Å; V372-V374 HydrophobicContact CG2-CG2 3.87Å; V374-I376 HydrophobicContact CG1-CG1 4.27Å; V374-M412 HydrophobicContact CG1-CE 3.68Å; V374-A418 HydrophobicContact CG1-CB 4.12Å; V374-V420 HydrophobicContact CG1-CG2 4.39Å; V374-V420 HydrophobicContact CG2-CG2 4.49Å
375	K	91.2	Very high	89	Confident	26 Å²	26	61.7 Å²	61.7	11%	0.113	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	98.4	177.9	-174.4	169	-178.2	170.4	0	109.5	V363 A418 I419 D486	V363-K375 HydrophobicContact CG2-CB 4.11Å; V363-K375 HydrophobicContact CG2-CD 4.15Å; V363-K375 HydrophobicContact CG2-CG 3.92Å; K375-A418 CarbonylContact O-C 3.57Å; K375-A418 WeakPolarHBondContact O-CA 3.04Å; K375-I419 PolarHBondContact N-O 2.95Å; K375-I419 PolarHBondContact O-N 3.21Å; K375-D486 IonicContact NZ-OD1 3.44Å; K375-D486 PolarHBondContact NZ-OD1 3.11Å; K375-D486 IonicContact NZ-OD2 3.56Å; K375-D486 PolarHBondContact NZ-OD2 2.81Å
376	I	91.3	Very high	88.1	Confident	21 Å²	21	61.1 Å²	61.1	11%	0.108	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	122.2	174.7	-66.3	171.9	0	0	0	108.6	L351 G361 T362 Y364 V374 N416 A418	L351-I376 HydrophobicContact CD1-CD1 3.8Å; G361-I376 CarbonylContact C-O 3.57Å; G361-I376 WeakPolarHBondContact CA-O 3.18Å; T362-I376 PolarHBondContact N-O 3.44Å; T362-I376 PolarHBondContact O-N 3.34Å; Y364-I376 HydrophobicContact CD2-CD1 3.89Å; Y364-I376 HydrophobicContact CD2-CG1 4.35Å; Y364-I376 HydrophobicContact CE2-CB 4.42Å; Y364-I376 HydrophobicContact CE2-CD1 3.78Å; Y364-I376 HydrophobicContact CE2-CG1 4.4Å; V374-I376 HydrophobicContact CG1-CG1 4.27Å; I376-N416 HydrophobicContact CG2-CB 3.89Å; I376-A418 HydrophobicContact CG1-CB 4.03Å
377	L	85.9	Confident	87.5	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	145.3	178.8	-59.7	-178.5	0	0	0	110.8	F360 V379 F390 L417 W496	F360-L377 WeakPolarHBondContact O-CA 3.42Å; L377-V379 PolarHBondContact O-N 3.2Å; L377-F390 HydrophobicContact CD1-CD2 3.56Å; L377-F390 HydrophobicContact CD1-CE2 3.76Å; L377-L417 HydrophobicContact CB-CB 4.23Å; L377-L417 WeakPolarHBondContact CB-O 3.26Å; L377-L417 HydrophobicContact CD1-CB 3.99Å; L377-L417 HydrophobicContact CG-CB 4.38Å; L377-L417 PolarHBondContact N-O 2.71Å; L377-W496 HydrophobicContact CD1-CH2 3.9Å; L377-W496 HydrophobicContact CD1-CZ2 3.52Å; L377-W496 HydrophobicContact CD2-CH2 3.71Å; L377-W496 HydrophobicContact CD2-CZ2 4.19Å; L377-W496 HydrophobicContact CD2-CZ3 4.42Å; L377-W496 HydrophobicContact CG-CH2 4.45Å; L377-W496 HydrophobicContact CG-CZ2 4.46Å
378	K	81.3	Confident	86.8	Confident	111 Å²	111	62 Å²	62	48%	0.483	33%	0.332	S	S	.	.	S	Bend	trans	-80.1	55.6	179.1	-70.8	176.9	174.9	179.1	0	111.7	S357 G358 F360	S357-K378 WeakPolarHBondContact OG-CE 3.36Å; S357-K378 PolarHBondContact OG-NZ 3.47Å; G358-K378 WeakPolarHBondContact O-CE 3.42Å; G358-K378 PolarHBondContact O-NZ 2.97Å; F360-K378 PolarHBondContact O-N 2.94Å
379	V	76.7	Confident	85.9	Confident	26 Å²	26	59.7 Å²	59.7	16%	0.158	32%	0.324	C	S	.	.			trans	-137.2	113.8	178.3	-175.5	0	0	0	0	107.7	L377 P382	L377-V379 PolarHBondContact O-N 3.2Å; V379-P382 VanDerWaalsContact CG1-CA 3.46Å; V379-P382 HydrophobicContact CG1-CB 3.74Å
380	V	75.9	Confident	85.4	Confident	130 Å²	130	51.4 Å²	51.4	79%	0.788	29%	0.285	S	S	*	.	S	Bend	trans	-78.4	-48.8	178.1	-177.3	0	0	0	0	109.5
381	D	81.5	Confident	84.8	Confident	142 Å²	142	54.4 Å²	54.4	76%	0.759	28%	0.283	S	S	*	.	S	Bend	trans	-125.2	94.9	178.9	-65.6	-50.1	0	0	0	110.6
382	P	80.9	Confident	84	Confident	46 Å²	46	55.2 Å²	55.2	30%	0.299	29%	0.287	S	S	.	.			trans	-72.2	133.4	-176.7	28.4	-34.2	0	0	0	111.8	V379 Q386 F387 L417	V379-P382 VanDerWaalsContact CG1-CA 3.46Å; V379-P382 HydrophobicContact CG1-CB 3.74Å; P382-Q386 HydrophobicContact CB-CB 4.24Å; P382-F387 HydrophobicContact CB-CB 4.42Å; P382-F387 HydrophobicContact CG-CD2 4.34Å; P382-L417 HydrophobicContact CB-CD1 3.77Å; P382-L417 HydrophobicContact CG-CD1 3.82Å; P382-L417 HydrophobicContact CG-CG 4.23Å
383	T	84.1	Confident	83.1	Confident	59 Å²	59	55.5 Å²	55.5	36%	0.362	29%	0.289	S	S	.	.			trans	-63.6	156.3	169.3	83.6	0	0	0	0	110.2	E385 Q386 F387	T383-E385 VanDerWaalsContact CB-OE2 3.25Å; T383-E385 WeakPolarHBondContact CB-OE2 3.48Å; T383-E385 PolarHBondContact O-N 2.87Å; T383-E385 VanDerWaalsContact O-N 3.1Å; T383-E385 PolarHBondContact OG1-N 2.84Å; T383-E385 PolarHBondContact OG1-OE2 3.38Å; T383-Q386 HydrophobicContact CG2-CG 4.46Å; T383-Q386 WeakPolarHBondContact O-CB 3.46Å; T383-Q386 PolarHBondContact O-N 3.02Å; T383-Q386 WeakPolarHBondContact OG1-CG 3.39Å; T383-Q386 PolarHBondContact OG1-N 2.91Å; T383-F387 PolarHBondContact O-N 3.32Å
384	P	85.1	Confident	82.7	Confident	99 Å²	99	55.1 Å²	55.1	64%	0.643	29%	0.285	S	S	*	.	H	α-helix	trans	-52.5	-34.7	176.1	-27.6	36	0	0	0	113.1	Q388	P384-Q388 VanDerWaalsContact O-CB 3.27Å; P384-Q388 WeakPolarHBondContact O-CB 3.24Å; P384-Q388 PolarHBondContact O-N 3.46Å
385	E	80.5	Confident	82.2	Confident	126 Å²	126	57.2 Å²	57.2	59%	0.589	30%	0.302	S	S	*	.	H	α-helix	trans	-69.2	-41.4	176.6	-57	72.1	-153.7	0	0	112	T383 A389	T383-E385 VanDerWaalsContact CB-OE2 3.25Å; T383-E385 WeakPolarHBondContact CB-OE2 3.48Å; T383-E385 PolarHBondContact O-N 2.87Å; T383-E385 VanDerWaalsContact O-N 3.1Å; T383-E385 PolarHBondContact OG1-N 2.84Å; T383-E385 PolarHBondContact OG1-OE2 3.38Å; E385-A389 VanDerWaalsContact O-CB 3.29Å; E385-A389 WeakPolarHBondContact O-CB 3.34Å; E385-A389 PolarHBondContact O-N 2.95Å
386	Q	78.1	Confident	81.8	Confident	28 Å²	28	58.1 Å²	58.1	13%	0.131	31%	0.31	C	S	.	.	H	α-helix	trans	-66.5	-41.7	176.1	-66.4	177.8	-27	0	0	111.2	P382 T383 A389 F390	P382-Q386 HydrophobicContact CB-CB 4.24Å; T383-Q386 HydrophobicContact CG2-CG 4.46Å; T383-Q386 WeakPolarHBondContact O-CB 3.46Å; T383-Q386 PolarHBondContact O-N 3.02Å; T383-Q386 WeakPolarHBondContact OG1-CG 3.39Å; T383-Q386 PolarHBondContact OG1-N 2.91Å; Q386-A389 PolarHBondContact O-N 3.4Å; Q386-F390 WeakPolarHBondContact O-CB 3.39Å; Q386-F390 PolarHBondContact O-N 2.72Å
387	F	82.5	Confident	81.6	Confident	51 Å²	51	57.8 Å²	57.8	22%	0.224	31%	0.308	C	S	.	.	H	α-helix	trans	-67	-40.5	176.9	-168.3	-110	0	0	0	111.9	P382 T383 A389 F390 R391 T413 L417	P382-F387 HydrophobicContact CB-CB 4.42Å; P382-F387 HydrophobicContact CG-CD2 4.34Å; T383-F387 PolarHBondContact O-N 3.32Å; F387-A389 VanDerWaalsContact C-N 3.35Å; F387-F390 WeakPolarHBondContact O-CB 3.13Å; F387-F390 PolarHBondContact O-N 2.79Å; F387-R391 VanDerWaalsContact CE1-NE 3.32Å; F387-R391 PolarHBondContact O-N 2.96Å; F387-T413 HydrophobicContact CE2-CG2 4.09Å; F387-T413 HydrophobicContact CZ-CG2 4.21Å; F387-L417 HydrophobicContact CD2-CD1 4.34Å; F387-L417 HydrophobicContact CD2-CD2 3.83Å; F387-L417 HydrophobicContact CE2-CD2 3.71Å
388	Q	81.8	Confident	81.7	Confident	91 Å²	91	60.1 Å²	60.1	43%	0.425	32%	0.317	S	S	.	.	H	α-helix	trans	-65.5	-38.7	173.2	-173.4	59.2	50.8	0	0	111.8	P384 F390 R391 N392	P384-Q388 VanDerWaalsContact O-CB 3.27Å; P384-Q388 WeakPolarHBondContact O-CB 3.24Å; P384-Q388 PolarHBondContact O-N 3.46Å; Q388-F390 VanDerWaalsContact C-N 3.35Å; Q388-R391 PolarHBondContact O-N 2.98Å; Q388-N392 PolarHBondContact NE2-OD1 2.96Å; Q388-N392 PolarHBondContact O-N 3.49Å; Q388-N392 PolarHBondContact O-ND2 3.42Å; Q388-N392 PolarHBondContact O-OD1 3.02Å
389	A	76.9	Confident	81.8	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-40.7	175.4	0	0	0	0	0	111.4	E385 Q386 F387 N392 E393 V492	E385-A389 VanDerWaalsContact O-CB 3.29Å; E385-A389 WeakPolarHBondContact O-CB 3.34Å; E385-A389 PolarHBondContact O-N 2.95Å; Q386-A389 PolarHBondContact O-N 3.4Å; F387-A389 VanDerWaalsContact C-N 3.35Å; A389-N392 PolarHBondContact O-N 3.17Å; A389-E393 WeakPolarHBondContact O-CB 3.44Å; A389-E393 PolarHBondContact O-N 3.32Å; A389-E393 VanDerWaalsContact O-N 3.08Å; A389-V492 HydrophobicContact CB-CG1 3.61Å
390	F	83	Confident	82.4	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.009	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-47	171.7	175.6	-102.3	0	0	0	112.5	L377 Q386 F387 Q388 N392 E393 V394 Y411 T413 L417 I419	L377-F390 HydrophobicContact CD1-CD2 3.56Å; L377-F390 HydrophobicContact CD1-CE2 3.76Å; Q386-F390 WeakPolarHBondContact O-CB 3.39Å; Q386-F390 PolarHBondContact O-N 2.72Å; F387-F390 WeakPolarHBondContact O-CB 3.13Å; F387-F390 PolarHBondContact O-N 2.79Å; Q388-F390 VanDerWaalsContact C-N 3.35Å; F390-N392 PolarHBondContact O-N 3.43Å; F390-E393 WeakPolarHBondContact O-CB 3.49Å; F390-E393 PolarHBondContact O-N 2.92Å; F390-V394 HydrophobicContact CD1-CG2 4.38Å; F390-V394 HydrophobicContact CE1-CG2 4.02Å; F390-V394 HydrophobicContact CE2-CG2 4.2Å; F390-V394 HydrophobicContact CZ-CG2 3.94Å; F390-V394 WeakPolarHBondContact O-CG2 3.48Å; F390-V394 PolarHBondContact O-N 3.47Å; F390-Y411 AromaticContact CE1-CD2 3.82Å; F390-Y411 HydrophobicContact CE1-CD2 3.82Å; F390-Y411 HydrophobicContact CE1-CG 4.38Å; F390-Y411 HydrophobicContact CZ-CD2 4.21Å; F390-Y411 HydrophobicContact CZ-CG 4.43Å; F390-T413 HydrophobicContact CE1-CG2 4.37Å; F390-L417 HydrophobicContact CD1-CD2 4.35Å; F390-L417 HydrophobicContact CE1-CD2 4.27Å; F390-L417 HydrophobicContact CG-CD1 4.42Å; F390-I419 HydrophobicContact CE2-CD1 4.24Å; F390-I419 HydrophobicContact CE2-CG1 3.81Å; F390-I419 HydrophobicContact CZ-CG1 4.41Å
391	R	83.4	Confident	83.2	Confident	107 Å²	107	64.4 Å²	64.4	40%	0.404	32%	0.318	S	S	.	.	H	α-helix	trans	-60.7	-42.8	176.5	-78.7	-174.7	168.7	170.2	-3.6	112.9	F387 Q388 E393 V394 A395	F387-R391 VanDerWaalsContact CE1-NE 3.32Å; F387-R391 PolarHBondContact O-N 2.96Å; Q388-R391 PolarHBondContact O-N 2.98Å; R391-E393 VanDerWaalsContact C-N 3.26Å; R391-E393 PolarHBondContact O-N 3.48Å; R391-V394 PolarHBondContact O-N 2.83Å; R391-A395 WeakPolarHBondContact O-CB 3.47Å; R391-A395 PolarHBondContact O-N 2.8Å
392	N	79	Confident	83.9	Confident	75 Å²	75	60.4 Å²	60.4	40%	0.401	30%	0.295	S	S	.	.	H	α-helix	trans	-60.3	-40.5	176.7	-69.4	-13.3	0	0	0	111.2	Q388 A389 F390 A395 V396	Q388-N392 PolarHBondContact NE2-OD1 2.96Å; Q388-N392 PolarHBondContact O-N 3.49Å; Q388-N392 PolarHBondContact O-ND2 3.42Å; Q388-N392 PolarHBondContact O-OD1 3.02Å; A389-N392 PolarHBondContact O-N 3.17Å; F390-N392 PolarHBondContact O-N 3.43Å; N392-A395 WeakPolarHBondContact O-CB 3.25Å; N392-A395 PolarHBondContact O-N 2.9Å; N392-V396 WeakPolarHBondContact O-CG2 3.37Å; N392-V396 PolarHBondContact O-N 3.01Å
393	E	78.2	Confident	84.6	Confident	7 Å²	7	61.1 Å²	61.1	3%	0.033	30%	0.298	C	S	.	.	H	α-helix	trans	-66.8	-48.8	179	-173.8	60.1	-156.4	0	0	112.1	A389 F390 R391 A395 V396 L397 G488 L489 V492	A389-E393 WeakPolarHBondContact O-CB 3.44Å; A389-E393 PolarHBondContact O-N 3.32Å; A389-E393 VanDerWaalsContact O-N 3.08Å; F390-E393 WeakPolarHBondContact O-CB 3.49Å; F390-E393 PolarHBondContact O-N 2.92Å; R391-E393 VanDerWaalsContact C-N 3.26Å; R391-E393 PolarHBondContact O-N 3.48Å; E393-A395 PolarHBondContact O-N 2.98Å; E393-V396 WeakPolarHBondContact O-CA 3.44Å; E393-V396 WeakPolarHBondContact O-CB 3.35Å; E393-V396 PolarHBondContact O-N 3.1Å; E393-L397 HydrophobicContact CG-CD1 4.44Å; E393-L397 WeakPolarHBondContact O-CG 3.39Å; E393-L397 PolarHBondContact O-N 3.4Å; E393-G488 WeakPolarHBondContact OE1-CA 3.43Å; E393-L489 HydrophobicContact CG-CD2 3.76Å; E393-L489 PolarHBondContact OE1-N 2.87Å; E393-V492 HydrophobicContact CB-CG2 3.9Å; E393-V492 HydrophobicContact CG-CG2 3.9Å
394	V	85.8	Confident	85.2	Confident	6 Å²	6	58.3 Å²	58.3	4%	0.036	28%	0.281	C	S	.	.	H	α-helix	trans	-55.1	-41.1	173.2	165.8	0	0	0	0	110.9	F390 R391 V396 L397 R398 F408 Y411	F390-V394 HydrophobicContact CD1-CG2 4.38Å; F390-V394 HydrophobicContact CE1-CG2 4.02Å; F390-V394 HydrophobicContact CE2-CG2 4.2Å; F390-V394 HydrophobicContact CZ-CG2 3.94Å; F390-V394 WeakPolarHBondContact O-CG2 3.48Å; F390-V394 PolarHBondContact O-N 3.47Å; R391-V394 PolarHBondContact O-N 2.83Å; V394-V396 PolarHBondContact O-N 3.44Å; V394-L397 PolarHBondContact O-N 3.09Å; V394-R398 HydrophobicContact CG1-CG 4.26Å; V394-R398 WeakPolarHBondContact O-CB 3.42Å; V394-R398 WeakPolarHBondContact O-CG 3.29Å; V394-R398 PolarHBondContact O-N 3.06Å; V394-F408 HydrophobicContact CG1-CZ 3.94Å; V394-Y411 HydrophobicContact CB-CD1 4.43Å; V394-Y411 HydrophobicContact CG1-CD1 3.36Å; V394-Y411 HydrophobicContact CG1-CE1 3.59Å; V394-Y411 HydrophobicContact CG1-CG 4.02Å; V394-Y411 HydrophobicContact CG2-CD1 4.23Å; V394-Y411 HydrophobicContact CG2-CG 4.03Å
395	A	83.5	Confident	85.7	Confident	43 Å²	43	53.8 Å²	53.8	36%	0.355	25%	0.251	S	S	.	.	H	α-helix	trans	-63.9	-27	177.2	0	0	0	0	0	113.4	R391 N392 E393 K399	R391-A395 WeakPolarHBondContact O-CB 3.47Å; R391-A395 PolarHBondContact O-N 2.8Å; N392-A395 WeakPolarHBondContact O-CB 3.25Å; N392-A395 PolarHBondContact O-N 2.9Å; E393-A395 PolarHBondContact O-N 2.98Å; A395-K399 WeakPolarHBondContact O-CE 3.11Å; A395-K399 WeakPolarHBondContact O-CG 3.27Å
396	V	83.1	Confident	86.3	Confident	46 Å²	46	48.8 Å²	48.8	28%	0.279	23%	0.228	S	C	.	.	H	α-helix	trans	-76.8	-50.6	171.9	174.7	0	0	0	0	110.4	N392 E393 V394 R398 K399 I464	N392-V396 WeakPolarHBondContact O-CG2 3.37Å; N392-V396 PolarHBondContact O-N 3.01Å; E393-V396 WeakPolarHBondContact O-CA 3.44Å; E393-V396 WeakPolarHBondContact O-CB 3.35Å; E393-V396 PolarHBondContact O-N 3.1Å; V394-V396 PolarHBondContact O-N 3.44Å; V396-R398 VanDerWaalsContact C-N 3.28Å; V396-R398 PolarHBondContact O-N 2.66Å; V396-K399 WeakPolarHBondContact O-CB 3.44Å; V396-K399 PolarHBondContact O-N 3.24Å; V396-I464 HydrophobicContact CG1-CD1 3.58Å; V396-I464 HydrophobicContact CG1-CG1 3.77Å; V396-I464 HydrophobicContact CG1-CG2 4.06Å
397	L	86.8	Confident	87	Confident	13 Å²	13	50.4 Å²	50.4	7%	0.068	24%	0.237	C	C	.	.	H	α-helix	trans	-57.1	-40.9	-178.8	-65.8	177.6	0	0	0	112.2	E393 V394 K399 T400 F408 I419 F487	E393-L397 HydrophobicContact CG-CD1 4.44Å; E393-L397 WeakPolarHBondContact O-CG 3.39Å; E393-L397 PolarHBondContact O-N 3.4Å; V394-L397 PolarHBondContact O-N 3.09Å; L397-K399 PolarHBondContact O-N 3.28Å; L397-K399 VanDerWaalsContact O-N 3.11Å; L397-T400 WeakPolarHBondContact O-CB 3.46Å; L397-T400 PolarHBondContact O-N 3.4Å; L397-T400 PolarHBondContact O-OG1 3.05Å; L397-F408 HydrophobicContact CB-CB 4.16Å; L397-F408 HydrophobicContact CB-CD1 4.49Å; L397-F408 HydrophobicContact CB-CD2 3.67Å; L397-F408 HydrophobicContact CB-CE2 4.17Å; L397-F408 HydrophobicContact CB-CG 3.84Å; L397-F408 HydrophobicContact CD1-CD2 3.86Å; L397-F408 HydrophobicContact CD1-CE2 4.11Å; L397-F408 HydrophobicContact CG-CD2 4.4Å; L397-I419 HydrophobicContact CD1-CD1 4.05Å; L397-I419 HydrophobicContact CD1-CG2 4.28Å; L397-F487 HydrophobicContact CD2-CD2 3.94Å; L397-F487 HydrophobicContact CD2-CE1 4.47Å; L397-F487 HydrophobicContact CD2-CE2 3.37Å; L397-F487 HydrophobicContact CD2-CZ 3.68Å
398	R	87.2	Confident	87.5	Confident	54 Å²	54	48.3 Å²	48.3	20%	0.204	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.1	176.6	-77.2	170.8	58.9	133.4	-0.1	114.9	S338 S339 W342 V394 V396 T400 F408	S338-R398 VanDerWaalsContact C-NH2 3.28Å; S338-R398 VanDerWaalsContact O-CZ 3.31Å; S338-R398 PolarHBondContact O-NH1 3.31Å; S338-R398 PolarHBondContact O-NH2 2.91Å; S338-R398 PolarHBondContact OG-NH2 2.8Å; S339-R398 PolarHBondContact O-NH1 3.26Å; W342-R398 HydrophobicContact CD2-CG 4.24Å; W342-R398 HydrophobicContact CG-CG 4.32Å; W342-R398 VanDerWaalsContact NE1-CZ 3.25Å; V394-R398 HydrophobicContact CG1-CG 4.26Å; V394-R398 WeakPolarHBondContact O-CB 3.42Å; V394-R398 WeakPolarHBondContact O-CG 3.29Å; V394-R398 PolarHBondContact O-N 3.06Å; V396-R398 VanDerWaalsContact C-N 3.28Å; V396-R398 PolarHBondContact O-N 2.66Å; R398-T400 VanDerWaalsContact C-N 3.26Å; R398-F408 HydrophobicContact CG-CD1 3.88Å; R398-F408 HydrophobicContact CG-CE1 3.41Å; R398-F408 VanDerWaalsContact CG-CE1 3.41Å; R398-F408 HydrophobicContact CG-CZ 4.2Å
399	K	83.2	Confident	88	Confident	144 Å²	144	46.3 Å²	46.3	63%	0.626	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-0.5	179.9	-64.1	174.2	-174.3	175.7	0	112.4	A395 V396 L397 Y458	A395-K399 WeakPolarHBondContact O-CE 3.11Å; A395-K399 WeakPolarHBondContact O-CG 3.27Å; V396-K399 WeakPolarHBondContact O-CB 3.44Å; V396-K399 PolarHBondContact O-N 3.24Å; L397-K399 PolarHBondContact O-N 3.28Å; L397-K399 VanDerWaalsContact O-N 3.11Å; K399-Y458 PolarHBondContact O-OH 3.25Å
400	T	90.3	Very high	88.8	Confident	8 Å²	8	46.2 Å²	46.2	5%	0.049	22%	0.219	C	C	.	.			trans	-101.4	126.2	-177	69.8	0	0	0	0	111.7	L397 R398 Y458 L459 I464 F487	L397-T400 WeakPolarHBondContact O-CB 3.46Å; L397-T400 PolarHBondContact O-N 3.4Å; L397-T400 PolarHBondContact O-OG1 3.05Å; R398-T400 VanDerWaalsContact C-N 3.26Å; T400-Y458 WeakPolarHBondContact CA-OH 3.35Å; T400-Y458 HydrophobicContact CG2-CE1 4.36Å; T400-L459 HydrophobicContact CG2-CD2 4.04Å; T400-I464 HydrophobicContact CG2-CD1 3.69Å; T400-F487 HydrophobicContact CG2-CE2 3.77Å; T400-F487 HydrophobicContact CG2-CZ 4.11Å
401	R	93.1	Very high	89.2	Confident	205 Å²	205	46.4 Å²	46.4	77%	0.774	22%	0.219	S	C	*	.			trans	-154.3	100.7	174	-171.2	177.3	-178.5	116.3	-1.6	108	Y458	R401-Y458 PolarHBondContact N-OH 3.02Å; R401-Y458 PolarHBondContact O-OH 3.42Å
402	H	95.4	Very high	89.6	Confident	58 Å²	58	41.7 Å²	41.7	27%	0.269	20%	0.202	S	C	.	.			trans	-154.5	147	-178.6	-175.8	-97.4	0	0	0	109.3	N404 I405 Y458	H402-N404 PolarHBondContact CE1-OD1 3.43Å; H402-N404 PolarHBondContact ND1-N 3.02Å; H402-N404 PolarHBondContact O-N 2.84Å; H402-I405 HydrophobicContact CB-CB 4.12Å; H402-I405 HydrophobicContact CB-CG1 3.82Å; H402-I405 PolarHBondContact O-N 2.86Å; H402-I405 VanDerWaalsContact O-N 3.07Å; H402-Y458 HydrophobicContact CB-CD1 3.72Å; H402-Y458 HydrophobicContact CB-CD2 3.88Å; H402-Y458 HydrophobicContact CB-CE1 3.89Å; H402-Y458 HydrophobicContact CB-CE2 4.02Å; H402-Y458 HydrophobicContact CB-CG 3.73Å; H402-Y458 AromaticContact CD2-CD2 3.72Å; H402-Y458 AromaticContact CD2-CG 3.89Å; H402-Y458 AromaticContact CG-CD2 3.96Å; H402-Y458 AromaticContact CG-CG 3.78Å
403	V	95.8	Very high	90.1	Very high	60 Å²	60	39.9 Å²	39.9	36%	0.364	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.2	-176.6	63.5	0	0	0	0	112	T481 K483	V403-T481 HydrophobicContact CG2-CG2 4.28Å; V403-K483 WeakPolarHBondContact O-CD 3.47Å; V403-K483 WeakPolarHBondContact O-CE 3.15Å; V403-K483 PolarHBondContact O-NZ 3.16Å
404	N	97.2	Very high	90.3	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	10.8	179.8	-54.7	118.7	0	0	0	116	H402 Q451 V482 I484	H402-N404 PolarHBondContact CE1-OD1 3.43Å; H402-N404 PolarHBondContact ND1-N 3.02Å; H402-N404 PolarHBondContact O-N 2.84Å; N404-Q451 WeakPolarHBondContact CB-O 3.38Å; N404-Q451 PolarHBondContact ND2-OE1 3.48Å; N404-Q451 PolarHBondContact OD1-O 2.97Å; N404-V482 WeakPolarHBondContact CA-O 3.32Å; N404-V482 PolarHBondContact ND2-O 3.19Å; N404-I484 WeakPolarHBondContact O-CG1 3.44Å; N404-I484 PolarHBondContact O-N 2.9Å
405	I	94.9	Very high	89.9	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.015	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-113.5	137.9	174.3	-61.5	-57.3	0	0	0	108.5	H402 L407 Y458 L459 I484 F487	H402-I405 HydrophobicContact CB-CB 4.12Å; H402-I405 HydrophobicContact CB-CG1 3.82Å; H402-I405 PolarHBondContact O-N 2.86Å; H402-I405 VanDerWaalsContact O-N 3.07Å; I405-L407 PolarHBondContact O-N 3.4Å; I405-Y458 HydrophobicContact CG1-CD1 3.91Å; I405-Y458 HydrophobicContact CG1-CE1 4.42Å; I405-L459 HydrophobicContact CD1-CD1 3.84Å; I405-L459 HydrophobicContact CD1-CD2 4.03Å; I405-L459 HydrophobicContact CD1-CG 3.74Å; I405-L459 HydrophobicContact CG1-CD2 4.4Å; I405-L459 HydrophobicContact CG1-CG 4.48Å; I405-I484 HydrophobicContact CD1-CB 3.98Å; I405-I484 HydrophobicContact CD1-CD1 4.28Å; I405-F487 HydrophobicContact CG2-CD1 4.5Å; I405-F487 HydrophobicContact CG2-CE1 3.43Å; I405-F487 VanDerWaalsContact CG2-CE1 3.43Å; I405-F487 HydrophobicContact CG2-CE2 4.49Å; I405-F487 HydrophobicContact CG2-CZ 3.42Å; I405-F487 VanDerWaalsContact CG2-CZ 3.42Å
406	L	93.5	Very high	89.9	Confident	22 Å²	22	53.8 Å²	53.8	12%	0.115	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-62.2	121.4	176.1	-167.1	71.9	0	0	0	109.2	F408 T421 Q422 C424 K483 I484	L406-F408 PolarHBondContact O-N 3.31Å; L406-T421 HydrophobicContact CD2-CG2 4.2Å; L406-Q422 HydrophobicContact CD1-CG 3.53Å; L406-Q422 HydrophobicContact CG-CG 4.05Å; L406-C424 WeakPolarHBondContact CD1-SG 3.32Å; L406-K483 HydrophobicContact CD1-CB 4.19Å; L406-I484 WeakPolarHBondContact CB-O 3.49Å; L406-I484 PolarHBondContact N-O 2.93Å
407	L	93.2	Very high	90.2	Very high	61 Å²	61	52 Å²	52	32%	0.319	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-66	118.9	-175.7	-179	64.9	0	0	0	111	I405 M409 T421 Q422	I405-L407 PolarHBondContact O-N 3.4Å; L407-M409 HydrophobicContact CD2-CE 4.42Å; L407-T421 CarbonylContact O-C 3.55Å; L407-T421 VanDerWaalsContact O-CA 3.26Å; L407-T421 WeakPolarHBondContact O-CA 3.41Å; L407-T421 WeakPolarHBondContact O-CB 3.45Å; L407-Q422 HydrophobicContact CB-CB 4.12Å; L407-Q422 HydrophobicContact CB-CG 3.89Å; L407-Q422 PolarHBondContact O-N 3.39Å
408	F	92.6	Very high	90.4	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.035	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	127.4	166.3	176.8	-96	0	0	0	109.9	W342 V394 L397 R398 L406 G410 Y411 I419	W342-F408 HydrophobicContact CB-CE1 4.45Å; W342-F408 HydrophobicContact CD2-CE1 4.4Å; W342-F408 HydrophobicContact CE3-CD1 4.06Å; W342-F408 AromaticContact CE3-CE1 3.86Å; W342-F408 HydrophobicContact CE3-CE1 3.86Å; W342-F408 HydrophobicContact CZ3-CD1 4.33Å; V394-F408 HydrophobicContact CG1-CZ 3.94Å; L397-F408 HydrophobicContact CB-CB 4.16Å; L397-F408 HydrophobicContact CB-CD1 4.49Å; L397-F408 HydrophobicContact CB-CD2 3.67Å; L397-F408 HydrophobicContact CB-CE2 4.17Å; L397-F408 HydrophobicContact CB-CG 3.84Å; L397-F408 HydrophobicContact CD1-CD2 3.86Å; L397-F408 HydrophobicContact CD1-CE2 4.11Å; L397-F408 HydrophobicContact CG-CD2 4.4Å; R398-F408 HydrophobicContact CG-CD1 3.88Å; R398-F408 HydrophobicContact CG-CE1 3.41Å; R398-F408 VanDerWaalsContact CG-CE1 3.41Å; R398-F408 HydrophobicContact CG-CZ 4.2Å; L406-F408 PolarHBondContact O-N 3.31Å; F408-G410 WeakPolarHBondContact CE2-O 3.33Å; F408-G410 VanDerWaalsContact CZ-C 3.41Å; F408-G410 WeakPolarHBondContact CZ-O 3.43Å; F408-Y411 HydrophobicContact CZ-CD1 4.13Å; F408-I419 HydrophobicContact CD2-CG2 4.06Å; F408-I419 HydrophobicContact CE2-CG2 3.98Å
409	M	92.9	Very high	90.6	Very high	48 Å²	48	49.1 Å²	49.1	24%	0.236	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-36.6	-178.3	-71.2	177.7	164.9	0	0	112.2	W368 V372 L407 V420 Q422	W368-M409 HydrophobicContact CE3-CB 4.45Å; W368-M409 HydrophobicContact CZ3-CB 3.97Å; V372-M409 HydrophobicContact CB-SD 4.33Å; V372-M409 HydrophobicContact CG1-CE 4.34Å; V372-M409 HydrophobicContact CG1-SD 3.46Å; V372-M409 WeakPolarHBondContact CG1-SD 3.48Å; L407-M409 HydrophobicContact CD2-CE 4.42Å; M409-V420 HydrophobicContact CB-CG1 4.24Å; M409-V420 WeakPolarHBondContact CB-O 3.43Å; M409-V420 PolarHBondContact N-O 2.77Å; M409-Q422 HydrophobicContact CE-CB 3.72Å
410	G	92.5	Very high	91.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.1	-170.1	178.5	0	0	0	0	0	112.1	W342 F408 V420	W342-G410 CarbonylContact O-C 3.55Å; W342-G410 WeakPolarHBondContact O-CA 3.17Å; F408-G410 WeakPolarHBondContact CE2-O 3.33Å; F408-G410 VanDerWaalsContact CZ-C 3.41Å; F408-G410 WeakPolarHBondContact CZ-O 3.43Å; G410-V420 PolarHBondContact N-O 3.44Å; G410-V420 PolarHBondContact O-N 2.88Å
411	Y	92.5	Very high	91.2	Very high	5 Å²	5	43.1 Å²	43.1	2%	0.02	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	156.2	179.8	67.1	-84.6	0	0	0	110.7	S339 W342 E343 I344 F390 V394 F408 T413 A418	S339-Y411 PolarHBondContact O-OH 2.97Å; W342-Y411 HydrophobicContact CB-CD1 4.2Å; W342-Y411 HydrophobicContact CB-CE1 3.99Å; W342-Y411 WeakPolarHBondContact O-CD1 3.5Å; W342-Y411 PolarHBondContact O-N 3.32Å; E343-Y411 CarbonylContact C-O 3.58Å; E343-Y411 WeakPolarHBondContact CA-O 3.4Å; E343-Y411 HydrophobicContact CB-CE1 4.26Å; E343-Y411 HydrophobicContact CB-CE2 3.9Å; E343-Y411 HydrophobicContact CG-CD2 4.42Å; E343-Y411 HydrophobicContact CG-CE2 3.8Å; E343-Y411 PolarHBondContact OE2-OH 3.11Å; I344-Y411 PolarHBondContact N-O 3.28Å; F390-Y411 AromaticContact CE1-CD2 3.82Å; F390-Y411 HydrophobicContact CE1-CD2 3.82Å; F390-Y411 HydrophobicContact CE1-CG 4.38Å; F390-Y411 HydrophobicContact CZ-CD2 4.21Å; F390-Y411 HydrophobicContact CZ-CG 4.43Å; V394-Y411 HydrophobicContact CB-CD1 4.43Å; V394-Y411 HydrophobicContact CG1-CD1 3.36Å; V394-Y411 HydrophobicContact CG1-CE1 3.59Å; V394-Y411 HydrophobicContact CG1-CG 4.02Å; V394-Y411 HydrophobicContact CG2-CD1 4.23Å; V394-Y411 HydrophobicContact CG2-CG 4.03Å; F408-Y411 HydrophobicContact CZ-CD1 4.13Å; Y411-T413 HydrophobicContact CD2-CG2 3.68Å; Y411-T413 HydrophobicContact CE2-CG2 3.53Å; Y411-A418 CarbonylContact C-O 3.59Å; Y411-A418 WeakPolarHBondContact CA-O 3.39Å; Y411-A418 WeakPolarHBondContact CB-O 3.29Å
412	M	91.8	Very high	91.2	Very high	9 Å²	9	34.5 Å²	34.5	4%	0.044	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.2	174.1	-51	-174.3	-59.1	0	0	109.1	I344 A346 V349 V374 N416 L417 A418 V420	I344-M412 HydrophobicContact CB-CG 4.28Å; A346-M412 HydrophobicContact CB-SD 4.44Å; V349-M412 HydrophobicContact CB-SD 4.12Å; V349-M412 HydrophobicContact CG2-SD 3.82Å; V374-M412 HydrophobicContact CG1-CE 3.68Å; M412-N416 CarbonylContact C-O 3.56Å; M412-L417 WeakPolarHBondContact O-CA 3.19Å; M412-A418 HydrophobicContact CB-CB 4.09Å; M412-A418 HydrophobicContact CE-CB 3.28Å; M412-A418 HydrophobicContact CG-CB 4.34Å; M412-A418 PolarHBondContact N-O 2.9Å; M412-A418 PolarHBondContact O-N 3.15Å; M412-V420 HydrophobicContact CG-CG2 4.33Å
413	T	88.1	Confident	91.1	Very high	37 Å²	37	34.2 Å²	34.2	23%	0.227	17%	0.173	C	C	.	.			trans	-121.9	-27.5	176.1	67.2	0	0	0	0	113.3	E343 F387 F390 Y411	E343-T413 HydrophobicContact CG-CG2 4.49Å; E343-T413 WeakPolarHBondContact OE1-CB 3.33Å; E343-T413 VanDerWaalsContact OE1-CG2 3.25Å; E343-T413 WeakPolarHBondContact OE1-CG2 3.39Å; E343-T413 PolarHBondContact OE1-OG1 2.88Å; F387-T413 HydrophobicContact CE2-CG2 4.09Å; F387-T413 HydrophobicContact CZ-CG2 4.21Å; F390-T413 HydrophobicContact CE1-CG2 4.37Å; Y411-T413 HydrophobicContact CD2-CG2 3.68Å; Y411-T413 HydrophobicContact CE2-CG2 3.53Å
414	K	82	Confident	90.9	Very high	149 Å²	149	32 Å²	32	65%	0.648	16%	0.16	S	C	*	.	S	Bend	trans	-79.6	134.4	-179.5	-163.5	178.3	-175.9	-174.5	0	109.6	N416	K414-N416 PolarHBondContact O-N 3.43Å
415	D	78.5	Confident	90.5	Very high	126 Å²	126	37.2 Å²	37.2	67%	0.674	18%	0.184	S	C	*	.	S	Bend	trans	65.1	-45.3	-175.1	-49	-39.1	0	0	0	115.3
416	N	84.1	Confident	90	Very high	73 Å²	73	38.9 Å²	38.9	39%	0.39	20%	0.202	S	C	.	.	S	Bend	trans	-144.4	136.2	177.4	-69.1	-78.4	0	0	0	110.9	I376 M412 K414 A418	I376-N416 HydrophobicContact CG2-CB 3.89Å; M412-N416 CarbonylContact C-O 3.56Å; K414-N416 PolarHBondContact O-N 3.43Å; N416-A418 PolarHBondContact O-N 3.1Å
417	L	88.9	Confident	89.8	Confident	7 Å²	7	38.6 Å²	38.6	4%	0.037	20%	0.203	C	C	.	.			trans	-69.2	118.6	166.2	-64.8	-172.2	0	0	0	109.4	L377 P382 F387 F390 M412	L377-L417 HydrophobicContact CB-CB 4.23Å; L377-L417 WeakPolarHBondContact CB-O 3.26Å; L377-L417 HydrophobicContact CD1-CB 3.99Å; L377-L417 HydrophobicContact CG-CB 4.38Å; L377-L417 PolarHBondContact N-O 2.71Å; P382-L417 HydrophobicContact CB-CD1 3.77Å; P382-L417 HydrophobicContact CG-CD1 3.82Å; P382-L417 HydrophobicContact CG-CG 4.23Å; F387-L417 HydrophobicContact CD2-CD1 4.34Å; F387-L417 HydrophobicContact CD2-CD2 3.83Å; F387-L417 HydrophobicContact CE2-CD2 3.71Å; F390-L417 HydrophobicContact CD1-CD2 4.35Å; F390-L417 HydrophobicContact CE1-CD2 4.27Å; F390-L417 HydrophobicContact CG-CD1 4.42Å; M412-L417 WeakPolarHBondContact O-CA 3.19Å
418	A	91	Very high	89.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	153.3	-179.8	0	0	0	0	0	113.2	V374 K375 I376 Y411 M412 N416	V374-A418 HydrophobicContact CG1-CB 4.12Å; K375-A418 CarbonylContact O-C 3.57Å; K375-A418 WeakPolarHBondContact O-CA 3.04Å; I376-A418 HydrophobicContact CG1-CB 4.03Å; Y411-A418 CarbonylContact C-O 3.59Å; Y411-A418 WeakPolarHBondContact CA-O 3.39Å; Y411-A418 WeakPolarHBondContact CB-O 3.29Å; M412-A418 HydrophobicContact CB-CB 4.09Å; M412-A418 HydrophobicContact CE-CB 3.28Å; M412-A418 HydrophobicContact CG-CB 4.34Å; M412-A418 PolarHBondContact N-O 2.9Å; M412-A418 PolarHBondContact O-N 3.15Å; N416-A418 PolarHBondContact O-N 3.1Å
419	I	90.8	Very high	90.1	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.2	172.2	-63.7	174.3	0	0	0	108	K375 F390 L397 F408 T421 L489	K375-I419 PolarHBondContact N-O 2.95Å; K375-I419 PolarHBondContact O-N 3.21Å; F390-I419 HydrophobicContact CE2-CD1 4.24Å; F390-I419 HydrophobicContact CE2-CG1 3.81Å; F390-I419 HydrophobicContact CZ-CG1 4.41Å; L397-I419 HydrophobicContact CD1-CD1 4.05Å; L397-I419 HydrophobicContact CD1-CG2 4.28Å; F408-I419 HydrophobicContact CD2-CG2 4.06Å; F408-I419 HydrophobicContact CE2-CG2 3.98Å; I419-T421 HydrophobicContact CG2-CG2 3.98Å; I419-L489 HydrophobicContact CD1-CD2 3.81Å
420	V	93.3	Very high	90.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.6	177.3	-171.9	0	0	0	0	108.9	I344 V372 A373 V374 M409 G410 M412	I344-V420 HydrophobicContact CD1-CB 4Å; I344-V420 HydrophobicContact CD1-CG1 4.34Å; I344-V420 HydrophobicContact CD1-CG2 3.9Å; V372-V420 HydrophobicContact CB-CG1 3.84Å; V372-V420 HydrophobicContact CG1-CG1 4.17Å; V372-V420 HydrophobicContact CG2-CG1 3.96Å; A373-V420 WeakPolarHBondContact O-CA 3.45Å; V374-V420 HydrophobicContact CG1-CG2 4.39Å; V374-V420 HydrophobicContact CG2-CG2 4.49Å; M409-V420 HydrophobicContact CB-CG1 4.24Å; M409-V420 WeakPolarHBondContact CB-O 3.43Å; M409-V420 PolarHBondContact N-O 2.77Å; G410-V420 PolarHBondContact N-O 3.44Å; G410-V420 PolarHBondContact O-N 2.88Å; M412-V420 HydrophobicContact CG-CG2 4.33Å
421	T	93.3	Very high	90.2	Very high	25 Å²	25	41.6 Å²	41.6	15%	0.153	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	166.3	177.5	61.5	0	0	0	0	110.8	A373 L406 L407 I419 W423	A373-T421 PolarHBondContact N-O 3.08Å; A373-T421 PolarHBondContact O-N 3.46Å; L406-T421 HydrophobicContact CD2-CG2 4.2Å; L407-T421 CarbonylContact O-C 3.55Å; L407-T421 VanDerWaalsContact O-CA 3.26Å; L407-T421 WeakPolarHBondContact O-CA 3.41Å; L407-T421 WeakPolarHBondContact O-CB 3.45Å; I419-T421 HydrophobicContact CG2-CG2 3.98Å; T421-W423 PolarHBondContact O-N 3.01Å
422	Q	93.4	Very high	90.4	Very high	25 Å²	25	42.8 Å²	42.8	12%	0.117	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	143.4	169.6	65	168.4	86.7	0	0	111.3	L406 L407 M409	L406-Q422 HydrophobicContact CD1-CG 3.53Å; L406-Q422 HydrophobicContact CG-CG 4.05Å; L407-Q422 HydrophobicContact CB-CB 4.12Å; L407-Q422 HydrophobicContact CB-CG 3.89Å; L407-Q422 PolarHBondContact O-N 3.39Å; M409-Q422 HydrophobicContact CE-CB 3.72Å
423	W	93.7	Very high	90.5	Very high	51 Å²	51	43 Å²	43	19%	0.193	22%	0.22	C	C	.	.			trans	-71.2	150.1	163.6	-177.1	-109.4	0	0	0	110.2	I355 K365 D371 A373 T421 E425	I355-W423 HydrophobicContact CD1-CH2 3.7Å; I355-W423 HydrophobicContact CD1-CZ3 4.23Å; I355-W423 HydrophobicContact CG1-CH2 3.84Å; I355-W423 HydrophobicContact CG1-CZ3 3.9Å; K365-W423 HydrophobicContact CB-CE3 4.17Å; K365-W423 HydrophobicContact CB-CH2 4.07Å; K365-W423 HydrophobicContact CB-CZ3 3.76Å; K365-W423 HydrophobicContact CD-CD2 4.11Å; K365-W423 HydrophobicContact CD-CE3 4.28Å; K365-W423 HydrophobicContact CD-CH2 4.05Å; K365-W423 HydrophobicContact CD-CZ2 3.83Å; K365-W423 HydrophobicContact CD-CZ3 4.26Å; K365-W423 HydrophobicContact CG-CD2 4.16Å; K365-W423 HydrophobicContact CG-CE3 3.92Å; K365-W423 HydrophobicContact CG-CH2 4.24Å; K365-W423 HydrophobicContact CG-CZ2 4.44Å; K365-W423 HydrophobicContact CG-CZ3 3.97Å; D371-W423 HydrophobicContact CB-CB 3.93Å; D371-W423 HydrophobicContact CB-CG 4.16Å; D371-W423 VanDerWaalsContact O-CB 3.31Å; D371-W423 WeakPolarHBondContact O-CB 3.42Å; D371-W423 PolarHBondContact O-N 3.15Å; A373-W423 HydrophobicContact CB-CE3 4.08Å; T421-W423 PolarHBondContact O-N 3.01Å; W423-E425 VanDerWaalsContact CD1-CD 3.48Å; W423-E425 VanDerWaalsContact NE1-CD 3.28Å; W423-E425 PolarHBondContact NE1-OE1 3.27Å; W423-E425 PolarHBondContact NE1-OE2 3.06Å; W423-E425 VanDerWaalsContact NE1-OE2 3.08Å
424	C	91.5	Very high	90.8	Very high	14 Å²	14	43.2 Å²	43.2	10%	0.095	22%	0.218	C	C	.	.			trans	-124.9	115.3	172.5	-75.6	0	0	0	0	108.6	L406 G426 F475	L406-C424 WeakPolarHBondContact CD1-SG 3.32Å; C424-G426 VanDerWaalsContact C-N 3.27Å; C424-G426 PolarHBondContact O-N 3.46Å; C424-F475 HydrophobicContact CB-CB 4.44Å
425	E	87.1	Confident	91.3	Very high	110 Å²	110	40.7 Å²	40.7	51%	0.514	22%	0.215	S	C	.	.	S	Bend	trans	-66.8	-22.6	-177.1	-67.1	-60.8	164.8	0	0	115.1	K365 W423 H477	K365-E425 IonicContact NZ-OE1 3.93Å; W423-E425 VanDerWaalsContact CD1-CD 3.48Å; W423-E425 VanDerWaalsContact NE1-CD 3.28Å; W423-E425 PolarHBondContact NE1-OE1 3.27Å; W423-E425 PolarHBondContact NE1-OE2 3.06Å; W423-E425 VanDerWaalsContact NE1-OE2 3.08Å; E425-H477 PolarHBondContact N-ND1 3.13Å
426	G	84.5	Confident	92	Very high	38 Å²	38	39.1 Å²	39.1	39%	0.392	20%	0.204	S	C	.	.	S	Bend	trans	-84.3	-151.4	177.4	0	0	0	0	0	112.9	C424 L476	C424-G426 VanDerWaalsContact C-N 3.27Å; C424-G426 PolarHBondContact O-N 3.46Å; G426-L476 VanDerWaalsContact CA-O 3.24Å; G426-L476 WeakPolarHBondContact CA-O 3.28Å
427	S	90.8	Very high	92.4	Very high	17 Å²	17	42.8 Å²	42.8	12%	0.119	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	172.7	-177.6	81.8	0	0	0	0	112.6	H432 L476	S427-H432 PolarHBondContact OG-CD2 2.81Å; S427-H432 PolarHBondContact OG-NE2 3.15Å; S427-L476 PolarHBondContact N-O 3.19Å; S427-L476 PolarHBondContact O-N 3.15Å
428	S	93.8	Very high	92.6	Very high	21 Å²	21	44.9 Å²	44.9	15%	0.147	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	149	175.8	63.2	0	0	0	0	110.7	Y430 K431 H432 N472 I474	S428-Y430 PolarHBondContact O-N 3.24Å; S428-K431 WeakPolarHBondContact O-CB 3.44Å; S428-K431 PolarHBondContact O-N 3.34Å; S428-K431 PolarHBondContact OG-N 2.94Å; S428-H432 PolarHBondContact O-CD2 2.92Å; S428-H432 PolarHBondContact O-N 3.24Å; S428-H432 VanDerWaalsContact O-N 3.15Å; S428-N472 WeakPolarHBondContact CB-O 3.43Å; S428-I474 CarbonylContact C-O 3.57Å; S428-I474 VanDerWaalsContact CA-O 3.28Å; S428-I474 WeakPolarHBondContact CA-O 3.48Å
429	L	96.7	Very high	92.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-55.7	-36	174.3	179.5	62.7	0	0	0	110.6	K431 H432 L433 I448 S471 I474 L476 V537 L541	L429-K431 VanDerWaalsContact C-N 3.34Å; L429-K431 PolarHBondContact O-N 2.89Å; L429-H432 PolarHBondContact O-N 3.28Å; L429-L433 HydrophobicContact CD1-CD1 3.92Å; L429-L433 HydrophobicContact CD1-CG 3.97Å; L429-L433 HydrophobicContact CD2-CD1 4.4Å; L429-L433 HydrophobicContact CG-CD1 3.84Å; L429-L433 HydrophobicContact CG-CG 4.27Å; L429-L433 WeakPolarHBondContact O-CG 3.33Å; L429-L433 PolarHBondContact O-N 3.47Å; L429-I448 HydrophobicContact CD1-CG2 4.22Å; L429-I448 HydrophobicContact CD2-CG2 4.23Å; L429-S471 PolarHBondContact N-O 3.32Å; L429-I474 HydrophobicContact CB-CB 4.07Å; L429-I474 HydrophobicContact CB-CG2 4.1Å; L429-I474 HydrophobicContact CD2-CB 4.44Å; L429-I474 HydrophobicContact CD2-CD1 4.15Å; L429-I474 HydrophobicContact CD2-CG2 4.18Å; L429-I474 PolarHBondContact N-O 2.86Å; L429-L476 HydrophobicContact CD1-CD1 4.12Å; L429-V537 HydrophobicContact CD2-CG1 3.95Å; L429-L541 HydrophobicContact CD1-CD2 3.93Å; L429-L541 HydrophobicContact CD2-CD2 4.06Å; L429-L541 HydrophobicContact CD2-CG 4.38Å
430	Y	95.4	Very high	92.7	Very high	68 Å²	68	55.7 Å²	55.7	27%	0.267	28%	0.278	S	S	.	.	H	α-helix	trans	-56.7	-45.3	173.3	-173.9	-83.7	0	0	0	112.3	S428 L433 H434 V435 S471 N472 W511 L546	S428-Y430 PolarHBondContact O-N 3.24Å; Y430-L433 PolarHBondContact O-N 3.27Å; Y430-H434 AromaticContact CD2-CD2 3.58Å; Y430-H434 HydrophobicContact CE1-CB 4.31Å; Y430-H434 AromaticContact CE2-CD2 3.72Å; Y430-H434 AromaticContact CG-CD2 3.98Å; Y430-H434 PolarHBondContact O-N 2.79Å; Y430-V435 HydrophobicContact CD1-CG2 4.43Å; Y430-V435 HydrophobicContact CE1-CG2 4.28Å; Y430-S471 WeakPolarHBondContact CD2-OG 3.24Å; Y430-S471 PolarHBondContact N-O 3.48Å; Y430-N472 WeakPolarHBondContact CD2-OD1 3.31Å; Y430-W511 HydrophobicContact CD2-CH2 4.3Å; Y430-W511 HydrophobicContact CD2-CZ2 4.5Å; Y430-W511 HydrophobicContact CE2-CH2 4.18Å; Y430-L546 HydrophobicContact CE2-CD1 4.14Å; Y430-L546 HydrophobicContact CE2-CD2 4.11Å
431	K	94	Very high	92.7	Very high	91 Å²	91	61.6 Å²	61.6	40%	0.396	31%	0.306	S	S	.	.	H	α-helix	trans	-65.1	-42.7	179.4	-170.9	-177.4	-177.4	-176.7	0	110.8	S428 L429 V435 Q436	S428-K431 WeakPolarHBondContact O-CB 3.44Å; S428-K431 PolarHBondContact O-N 3.34Å; S428-K431 PolarHBondContact OG-N 2.94Å; L429-K431 VanDerWaalsContact C-N 3.34Å; L429-K431 PolarHBondContact O-N 2.89Å; K431-V435 HydrophobicContact CG-CB 4.04Å; K431-V435 HydrophobicContact CG-CG1 4.39Å; K431-V435 HydrophobicContact CG-CG2 4.46Å; K431-V435 WeakPolarHBondContact O-CB 3.38Å; K431-V435 PolarHBondContact O-N 2.88Å; K431-V435 VanDerWaalsContact O-N 3.15Å; K431-Q436 HydrophobicContact CG-CG 4.2Å; K431-Q436 PolarHBondContact O-N 2.75Å
432	H	94.7	Very high	92.6	Very high	30 Å²	30	61.7 Å²	61.7	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-44.9	177.1	-79	-72.6	0	0	0	112.6	S427 S428 L429 Q436 E437 T438 F440	S427-H432 PolarHBondContact OG-CD2 2.81Å; S427-H432 PolarHBondContact OG-NE2 3.15Å; S428-H432 PolarHBondContact O-CD2 2.92Å; S428-H432 PolarHBondContact O-N 3.24Å; S428-H432 VanDerWaalsContact O-N 3.15Å; L429-H432 PolarHBondContact O-N 3.28Å; H432-Q436 PolarHBondContact CE1-OE1 3.29Å; H432-Q436 PolarHBondContact ND1-OE1 2.96Å; H432-E437 CarbonylContact O-C 3.49Å; H432-E437 WeakPolarHBondContact O-CA 3.47Å; H432-E437 PolarHBondContact O-N 3.5Å; H432-E437 VanDerWaalsContact O-N 3.13Å; H432-T438 PolarHBondContact ND1-OG1 2.84Å; H432-T438 PolarHBondContact O-N 3.29Å; H432-T438 PolarHBondContact O-OG1 3.05Å; H432-F440 HydrophobicContact CB-CE2 3.89Å; H432-F440 HydrophobicContact CB-CZ 3.98Å
433	L	94.9	Very high	92.4	Very high	13 Å²	13	65 Å²	65	7%	0.068	32%	0.319	C	S	.	.	H	α-helix	trans	-77.4	-45.7	-175.8	-64.9	177.2	0	0	0	113	L429 Y430 F440 E540 L541	L429-L433 HydrophobicContact CD1-CD1 3.92Å; L429-L433 HydrophobicContact CD1-CG 3.97Å; L429-L433 HydrophobicContact CD2-CD1 4.4Å; L429-L433 HydrophobicContact CG-CD1 3.84Å; L429-L433 HydrophobicContact CG-CG 4.27Å; L429-L433 WeakPolarHBondContact O-CG 3.33Å; L429-L433 PolarHBondContact O-N 3.47Å; Y430-L433 PolarHBondContact O-N 3.27Å; L433-F440 HydrophobicContact CD2-CD2 4.21Å; L433-F440 HydrophobicContact CD2-CE2 4.27Å; L433-E540 HydrophobicContact CD1-CB 3.96Å; L433-L541 HydrophobicContact CD1-CD2 4.22Å
434	H	94.1	Very high	92.4	Very high	41 Å²	41	64.5 Å²	64.5	19%	0.19	32%	0.319	C	S	.	.	H	α-helix	trans	-113.2	-4.7	-164.3	-51.5	-63.8	0	0	0	114.9	Y430 E540	Y430-H434 AromaticContact CD2-CD2 3.58Å; Y430-H434 HydrophobicContact CE1-CB 4.31Å; Y430-H434 AromaticContact CE2-CD2 3.72Å; Y430-H434 AromaticContact CG-CD2 3.98Å; Y430-H434 PolarHBondContact O-N 2.79Å; H434-E540 IonicContact CD2-OE1 3.65Å; H434-E540 IonicContact CE1-OE1 3.39Å; H434-E540 IonicContact NE2-OE1 3.23Å; H434-E540 PolarHBondContact NE2-OE1 3.32Å
435	V	93.8	Very high	92.6	Very high	97 Å²	97	64.2 Å²	64.2	59%	0.588	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	-49.1	179.5	-177.1	0	0	0	0	111.2	Y430 K431	Y430-V435 HydrophobicContact CD1-CG2 4.43Å; Y430-V435 HydrophobicContact CE1-CG2 4.28Å; K431-V435 HydrophobicContact CG-CB 4.04Å; K431-V435 HydrophobicContact CG-CG1 4.39Å; K431-V435 HydrophobicContact CG-CG2 4.46Å; K431-V435 WeakPolarHBondContact O-CB 3.38Å; K431-V435 PolarHBondContact O-N 2.88Å; K431-V435 VanDerWaalsContact O-N 3.15Å
436	Q	92.8	Very high	93	Very high	93 Å²	93	59 Å²	59	44%	0.435	29%	0.292	S	S	.	.	S	Bend	trans	-90.7	-15.5	178.4	-67.6	175.8	-23.6	0	0	112.6	K431 H432 T438	K431-Q436 HydrophobicContact CG-CG 4.2Å; K431-Q436 PolarHBondContact O-N 2.75Å; H432-Q436 PolarHBondContact CE1-OE1 3.29Å; H432-Q436 PolarHBondContact ND1-OE1 2.96Å; Q436-T438 PolarHBondContact O-N 3.16Å
437	E	92.6	Very high	93.5	Very high	150 Å²	150	58.9 Å²	58.9	70%	0.701	28%	0.283	S	S	*	.			trans	47.8	45.4	-175.8	-60.1	-177	-179.5	0	0	112.3	H432 K439	H432-E437 CarbonylContact O-C 3.49Å; H432-E437 WeakPolarHBondContact O-CA 3.47Å; H432-E437 PolarHBondContact O-N 3.5Å; H432-E437 VanDerWaalsContact O-N 3.13Å; E437-K439 PolarHBondContact O-N 3.31Å
438	T	92.8	Very high	93.8	Very high	50 Å²	50	58.1 Å²	58.1	31%	0.307	28%	0.277	S	S	.	.			trans	-59.7	122.3	-177.9	-56.4	0	0	0	0	110	H432 Q436 F440	H432-T438 PolarHBondContact ND1-OG1 2.84Å; H432-T438 PolarHBondContact O-N 3.29Å; H432-T438 PolarHBondContact O-OG1 3.05Å; Q436-T438 PolarHBondContact O-N 3.16Å; T438-F440 HydrophobicContact CG2-CD1 4.31Å; T438-F440 HydrophobicContact CG2-CD2 4.35Å; T438-F440 HydrophobicContact CG2-CE1 3.8Å; T438-F440 HydrophobicContact CG2-CE2 3.87Å; T438-F440 HydrophobicContact CG2-CZ 3.56Å; T438-F440 WeakPolarHBondContact O-CD2 3.36Å; T438-F440 PolarHBondContact O-N 3.2Å
439	K	91.7	Very high	94	Very high	204 Å²	204	57.1 Å²	57.1	89%	0.887	27%	0.27	S	S	*	.			trans	-79.9	87.1	-178.1	-64.7	-176.6	-178.9	176.9	0	111.5	E437	E437-K439 PolarHBondContact O-N 3.31Å
440	F	92.5	Very high	94	Very high	32 Å²	32	58.9 Å²	58.9	14%	0.14	28%	0.277	C	S	.	.			trans	-78.8	141.9	172.3	-63	-68.9	0	0	0	112.1	H432 L433 T438 Q444 L445 I448 L476 L480	H432-F440 HydrophobicContact CB-CE2 3.89Å; H432-F440 HydrophobicContact CB-CZ 3.98Å; L433-F440 HydrophobicContact CD2-CD2 4.21Å; L433-F440 HydrophobicContact CD2-CE2 4.27Å; T438-F440 HydrophobicContact CG2-CD1 4.31Å; T438-F440 HydrophobicContact CG2-CD2 4.35Å; T438-F440 HydrophobicContact CG2-CE1 3.8Å; T438-F440 HydrophobicContact CG2-CE2 3.87Å; T438-F440 HydrophobicContact CG2-CZ 3.56Å; T438-F440 WeakPolarHBondContact O-CD2 3.36Å; T438-F440 PolarHBondContact O-N 3.2Å; F440-Q444 HydrophobicContact CB-CB 4.33Å; F440-Q444 HydrophobicContact CD1-CB 4.35Å; F440-L445 HydrophobicContact CB-CD2 3.66Å; F440-L445 HydrophobicContact CB-CG 3.75Å; F440-L445 HydrophobicContact CD2-CD2 4.01Å; F440-L445 HydrophobicContact CG-CD2 4.14Å; F440-I448 HydrophobicContact CD1-CD1 4.43Å; F440-I448 HydrophobicContact CE1-CD1 4.35Å; F440-I448 HydrophobicContact CZ-CD1 4.47Å; F440-L476 HydrophobicContact CE1-CD1 4.36Å; F440-L476 HydrophobicContact CZ-CD1 3.76Å; F440-L480 HydrophobicContact CE1-CD1 4.38Å; F440-L480 HydrophobicContact CE1-CD2 3.75Å; F440-L480 HydrophobicContact CZ-CD2 4.48Å
441	Q	91.9	Very high	94.1	Very high	123 Å²	123	56.4 Å²	56.4	58%	0.575	27%	0.267	S	S	*	.			trans	-73.6	153.1	167	-60.2	-170.8	32.5	0	0	110.5	F443 Q444 L445	Q441-F443 HydrophobicContact CB-CD1 3.6Å; Q441-F443 HydrophobicContact CB-CE1 3.63Å; Q441-F443 HydrophobicContact CG-CE1 4.14Å; Q441-F443 PolarHBondContact O-N 3.03Å; Q441-F443 VanDerWaalsContact O-N 3.11Å; Q441-F443 VanDerWaalsContact OE1-CE1 3.25Å; Q441-Q444 HydrophobicContact CB-CG 4.46Å; Q441-Q444 WeakPolarHBondContact O-CA 3.43Å; Q441-Q444 WeakPolarHBondContact O-CB 3.4Å; Q441-Q444 PolarHBondContact O-N 3.01Å; Q441-L445 PolarHBondContact O-N 3.22Å
442	M	91.5	Very high	94.3	Very high	27 Å²	27	52 Å²	52	13%	0.133	25%	0.249	C	C	.	.	H	α-helix	trans	-54.7	-36	-177.7	-175.5	57.6	65.5	0	0	113.1	Q444 L445 I446 M542 Y574 N576 C577	M442-Q444 VanDerWaalsContact C-N 3.34Å; M442-Q444 PolarHBondContact O-N 3.35Å; M442-L445 PolarHBondContact O-N 3.03Å; M442-L445 HydrophobicContact SD-CD1 4.49Å; M442-I446 HydrophobicContact CG-CD1 3.89Å; M442-I446 WeakPolarHBondContact O-CB 3.45Å; M442-I446 VanDerWaalsContact O-CG1 3.29Å; M442-I446 WeakPolarHBondContact O-CG1 3.37Å; M442-I446 PolarHBondContact O-N 3.35Å; M442-I446 HydrophobicContact SD-CD1 4.05Å; M442-I446 HydrophobicContact SD-CG1 4.27Å; M442-M542 HydrophobicContact CE-SD 4.48Å; M442-M542 HydrophobicContact SD-CE 4.25Å; M442-M542 HydrophobicContact SD-SD 3.96Å; M442-Y574 HydrophobicContact CE-CD2 4.11Å; M442-N576 WeakPolarHBondContact CE-OD1 3.48Å; M442-C577 HydrophobicContact CE-CB 4.36Å
443	F	90.4	Very high	94.5	Very high	95 Å²	95	50.6 Å²	50.6	42%	0.417	24%	0.242	S	C	.	.	H	α-helix	trans	-66.9	-35.1	177.2	83.6	-93.8	0	0	0	112.5	Q441 D447	Q441-F443 HydrophobicContact CB-CD1 3.6Å; Q441-F443 HydrophobicContact CB-CE1 3.63Å; Q441-F443 HydrophobicContact CG-CE1 4.14Å; Q441-F443 PolarHBondContact O-N 3.03Å; Q441-F443 VanDerWaalsContact O-N 3.11Å; Q441-F443 VanDerWaalsContact OE1-CE1 3.25Å; F443-D447 WeakPolarHBondContact O-CB 3.44Å; F443-D447 PolarHBondContact O-N 3.23Å
444	Q	93.7	Very high	94.6	Very high	41 Å²	41	51.3 Å²	51.3	19%	0.192	25%	0.245	C	C	.	.	H	α-helix	trans	-69.7	-43	176	-63.3	173.5	-56.4	0	0	110.4	F440 Q441 M442 I446 D447 I448 L480	F440-Q444 HydrophobicContact CB-CB 4.33Å; F440-Q444 HydrophobicContact CD1-CB 4.35Å; Q441-Q444 HydrophobicContact CB-CG 4.46Å; Q441-Q444 WeakPolarHBondContact O-CA 3.43Å; Q441-Q444 WeakPolarHBondContact O-CB 3.4Å; Q441-Q444 PolarHBondContact O-N 3.01Å; M442-Q444 VanDerWaalsContact C-N 3.34Å; M442-Q444 PolarHBondContact O-N 3.35Å; Q444-I446 VanDerWaalsContact C-N 3.31Å; Q444-I446 PolarHBondContact O-N 3.01Å; Q444-D447 PolarHBondContact O-N 3.44Å; Q444-I448 WeakPolarHBondContact O-CG1 3.46Å; Q444-I448 PolarHBondContact O-N 3.39Å; Q444-L480 HydrophobicContact CB-CD1 4.33Å; Q444-L480 HydrophobicContact CG-CD1 4.19Å
445	L	95.3	Very high	94.8	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-43.1	175.5	-66.5	170.9	0	0	0	111.8	F440 Q441 M442 I448 A449 L541 M542 Y574	F440-L445 HydrophobicContact CB-CD2 3.66Å; F440-L445 HydrophobicContact CB-CG 3.75Å; F440-L445 HydrophobicContact CD2-CD2 4.01Å; F440-L445 HydrophobicContact CG-CD2 4.14Å; Q441-L445 PolarHBondContact O-N 3.22Å; M442-L445 PolarHBondContact O-N 3.03Å; M442-L445 HydrophobicContact SD-CD1 4.49Å; L445-I448 PolarHBondContact O-N 3.1Å; L445-A449 WeakPolarHBondContact O-CB 3.49Å; L445-A449 PolarHBondContact O-N 2.92Å; L445-L541 WeakPolarHBondContact CD1-O 3.36Å; L445-L541 HydrophobicContact CD2-CB 4.41Å; L445-L541 HydrophobicContact CD2-CD2 3.76Å; L445-M542 HydrophobicContact CB-CE 3.69Å; L445-M542 HydrophobicContact CD1-CE 4.41Å; L445-Y574 HydrophobicContact CD1-CE2 4.12Å
446	I	94.6	Very high	95	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-68.2	-36.4	177.5	-69.5	170.6	0	0	0	111.2	M442 Q444 A449 R450 P578 M581 I606 L609 L613	M442-I446 HydrophobicContact CG-CD1 3.89Å; M442-I446 WeakPolarHBondContact O-CB 3.45Å; M442-I446 VanDerWaalsContact O-CG1 3.29Å; M442-I446 WeakPolarHBondContact O-CG1 3.37Å; M442-I446 PolarHBondContact O-N 3.35Å; M442-I446 HydrophobicContact SD-CD1 4.05Å; M442-I446 HydrophobicContact SD-CG1 4.27Å; Q444-I446 VanDerWaalsContact C-N 3.31Å; Q444-I446 PolarHBondContact O-N 3.01Å; I446-A449 WeakPolarHBondContact O-CB 3.35Å; I446-A449 PolarHBondContact O-N 3.47Å; I446-R450 WeakPolarHBondContact O-CB 3.38Å; I446-R450 PolarHBondContact O-N 3.04Å; I446-P578 HydrophobicContact CD1-CG 3.99Å; I446-M581 HydrophobicContact CG1-CE 4.03Å; I446-I606 HydrophobicContact CG2-CG2 4.13Å; I446-L609 HydrophobicContact CD1-CD2 3.96Å; I446-L609 HydrophobicContact CD1-CG 4.49Å; I446-L609 HydrophobicContact CG1-CD2 4.47Å; I446-L609 HydrophobicContact CG2-CD2 4.48Å; I446-L613 HydrophobicContact CD1-CD1 3.45Å; I446-L613 VanDerWaalsContact CD1-CD1 3.45Å; I446-L613 HydrophobicContact CD1-CD2 4.18Å; I446-L613 HydrophobicContact CD1-CG 4.36Å; I446-L613 HydrophobicContact CG2-CD1 4.29Å
447	D	94.9	Very high	95.2	Very high	37 Å²	37	42.4 Å²	42.4	20%	0.198	20%	0.198	C	C	.	.	H	α-helix	trans	-69.9	-40.8	175.7	-169.4	62.4	0	0	0	112.6	F443 Q444 A449 R450 Q451	F443-D447 WeakPolarHBondContact O-CB 3.44Å; F443-D447 PolarHBondContact O-N 3.23Å; Q444-D447 PolarHBondContact O-N 3.44Å; D447-A449 VanDerWaalsContact C-N 3.32Å; D447-A449 PolarHBondContact O-N 3.38Å; D447-R450 WeakPolarHBondContact O-CB 3.39Å; D447-R450 PolarHBondContact O-N 2.73Å; D447-R450 IonicContact OD1-CZ 3.32Å; D447-R450 IonicContact OD1-NE 2.97Å; D447-R450 PolarHBondContact OD1-NE 2.99Å; D447-R450 IonicContact OD1-NH2 2.82Å; D447-R450 PolarHBondContact OD1-NH2 3.31Å; D447-Q451 WeakPolarHBondContact O-CG 3.13Å; D447-Q451 PolarHBondContact O-N 2.86Å; D447-Q451 PolarHBondContact OD2-NE2 3.17Å
448	I	96.9	Very high	95.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-58.7	-46	171.7	-68	165.7	0	0	0	110.1	L429 F440 Q444 L445 R450 Q451 T452 L476 V482 L541	L429-I448 HydrophobicContact CD1-CG2 4.22Å; L429-I448 HydrophobicContact CD2-CG2 4.23Å; F440-I448 HydrophobicContact CD1-CD1 4.43Å; F440-I448 HydrophobicContact CE1-CD1 4.35Å; F440-I448 HydrophobicContact CZ-CD1 4.47Å; Q444-I448 WeakPolarHBondContact O-CG1 3.46Å; Q444-I448 PolarHBondContact O-N 3.39Å; L445-I448 PolarHBondContact O-N 3.1Å; I448-R450 VanDerWaalsContact C-N 3.33Å; I448-R450 PolarHBondContact O-N 3Å; I448-Q451 PolarHBondContact O-N 3.41Å; I448-T452 VanDerWaalsContact O-CB 3.31Å; I448-T452 WeakPolarHBondContact O-CB 3.45Å; I448-T452 PolarHBondContact O-N 3.07Å; I448-T452 PolarHBondContact O-OG1 3.48Å; I448-L476 HydrophobicContact CD1-CD1 4Å; I448-L476 HydrophobicContact CD1-CD2 4.18Å; I448-L476 HydrophobicContact CG1-CD2 4.1Å; I448-L476 HydrophobicContact CG2-CD2 4.18Å; I448-V482 HydrophobicContact CB-CG2 4.38Å; I448-V482 HydrophobicContact CG2-CG2 3.98Å; I448-L541 HydrophobicContact CB-CD2 4.47Å; I448-L541 HydrophobicContact CG2-CD1 4.27Å; I448-L541 HydrophobicContact CG2-CD2 4.01Å
449	A	97.8	Very high	95.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.8	-45	175.6	0	0	0	0	0	111.9	L445 I446 D447 A453 Y534 L538 L541 M581 I606	L445-A449 WeakPolarHBondContact O-CB 3.49Å; L445-A449 PolarHBondContact O-N 2.92Å; I446-A449 WeakPolarHBondContact O-CB 3.35Å; I446-A449 PolarHBondContact O-N 3.47Å; D447-A449 VanDerWaalsContact C-N 3.32Å; D447-A449 PolarHBondContact O-N 3.38Å; A449-A453 PolarHBondContact O-N 3.44Å; A449-Y534 PolarHBondContact O-OH 2.98Å; A449-L538 HydrophobicContact CB-CD2 3.54Å; A449-L541 HydrophobicContact CB-CD1 3.94Å; A449-M581 HydrophobicContact CB-CE 4.35Å; A449-I606 HydrophobicContact CB-CD1 4.48Å
450	R	97.5	Very high	95.7	Very high	36 Å²	36	25.8 Å²	25.8	14%	0.136	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-52.9	178.4	-171.9	-169.1	64.3	70.9	9.6	112	I446 D447 I448 T452 A453 Q454 L603 I606 E607	I446-R450 WeakPolarHBondContact O-CB 3.38Å; I446-R450 PolarHBondContact O-N 3.04Å; D447-R450 WeakPolarHBondContact O-CB 3.39Å; D447-R450 PolarHBondContact O-N 2.73Å; D447-R450 IonicContact OD1-CZ 3.32Å; D447-R450 IonicContact OD1-NE 2.97Å; D447-R450 PolarHBondContact OD1-NE 2.99Å; D447-R450 IonicContact OD1-NH2 2.82Å; D447-R450 PolarHBondContact OD1-NH2 3.31Å; I448-R450 VanDerWaalsContact C-N 3.33Å; I448-R450 PolarHBondContact O-N 3Å; R450-T452 VanDerWaalsContact C-N 3.26Å; R450-T452 PolarHBondContact O-N 3.01Å; R450-A453 WeakPolarHBondContact O-CB 3.03Å; R450-A453 PolarHBondContact O-N 3.25Å; R450-A453 VanDerWaalsContact O-N 3.1Å; R450-Q454 WeakPolarHBondContact O-CG 3.38Å; R450-Q454 PolarHBondContact O-N 3.14Å; R450-L603 HydrophobicContact CG-CD1 3.92Å; R450-I606 HydrophobicContact CB-CG2 3.68Å; R450-I606 HydrophobicContact CG-CG2 4.09Å; R450-E607 HydrophobicContact CG-CG 4.5Å
451	Q	97.9	Very high	95.8	Very high	16 Å²	16	27.9 Å²	27.9	8%	0.075	14%	0.142	C	C	.	.	H	α-helix	trans	-60.2	-38.2	179.3	-71	-171.4	57.5	0	0	111.8	N404 D447 I448 Q454 G455 L480 V482	N404-Q451 WeakPolarHBondContact CB-O 3.38Å; N404-Q451 PolarHBondContact ND2-OE1 3.48Å; N404-Q451 PolarHBondContact OD1-O 2.97Å; D447-Q451 WeakPolarHBondContact O-CG 3.13Å; D447-Q451 PolarHBondContact O-N 2.86Å; D447-Q451 PolarHBondContact OD2-NE2 3.17Å; I448-Q451 PolarHBondContact O-N 3.41Å; Q451-Q454 WeakPolarHBondContact O-CB 3.37Å; Q451-Q454 PolarHBondContact O-N 3.33Å; Q451-G455 PolarHBondContact O-N 3.4Å; Q451-L480 PolarHBondContact NE2-O 3.49Å; Q451-V482 HydrophobicContact CB-CB 3.75Å; Q451-V482 HydrophobicContact CB-CG2 3.69Å
452	T	98.4	Very high	95.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-45.3	173.7	-56	0	0	0	0	111.3	I448 R450 Q454 G455 M456 M469 I474 I484 Y534	I448-T452 VanDerWaalsContact O-CB 3.31Å; I448-T452 WeakPolarHBondContact O-CB 3.45Å; I448-T452 PolarHBondContact O-N 3.07Å; I448-T452 PolarHBondContact O-OG1 3.48Å; R450-T452 VanDerWaalsContact C-N 3.26Å; R450-T452 PolarHBondContact O-N 3.01Å; T452-Q454 VanDerWaalsContact C-N 3.31Å; T452-Q454 PolarHBondContact O-N 2.84Å; T452-G455 PolarHBondContact O-N 2.94Å; T452-M456 WeakPolarHBondContact O-CG 3.42Å; T452-M456 PolarHBondContact O-N 2.98Å; T452-M456 VanDerWaalsContact O-N 3.08Å; T452-M469 HydrophobicContact CG2-CE 3.22Å; T452-I474 HydrophobicContact CG2-CD1 3.8Å; T452-I474 HydrophobicContact CG2-CG1 4.47Å; T452-I484 HydrophobicContact CG2-CD1 4.22Å; T452-I484 WeakPolarHBondContact O-CD1 3.41Å; T452-Y534 HydrophobicContact CG2-CD2 3.85Å; T452-Y534 HydrophobicContact CG2-CE2 3.7Å
453	A	98.4	Very high	95.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-37.6	174.9	0	0	0	0	0	112.3	A449 R450 M456 D457 Y534 F599 I602 L603 I606	A449-A453 PolarHBondContact O-N 3.44Å; R450-A453 WeakPolarHBondContact O-CB 3.03Å; R450-A453 PolarHBondContact O-N 3.25Å; R450-A453 VanDerWaalsContact O-N 3.1Å; A453-M456 PolarHBondContact O-N 2.82Å; A453-D457 VanDerWaalsContact O-CB 3.31Å; A453-D457 WeakPolarHBondContact O-CB 3.48Å; A453-D457 PolarHBondContact O-N 3.37Å; A453-Y534 HydrophobicContact CB-CE2 4.36Å; A453-F599 HydrophobicContact CB-CD1 4.07Å; A453-F599 HydrophobicContact CB-CE1 4.43Å; A453-I602 HydrophobicContact CB-CG2 4.21Å; A453-L603 HydrophobicContact CB-CD1 4.34Å; A453-I606 HydrophobicContact CB-CD1 4.18Å
454	Q	97.9	Very high	95.7	Very high	27 Å²	27	28.6 Å²	28.6	13%	0.126	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-44.6	175.7	-70.4	-176.6	-54.5	0	0	112.5	R450 Q451 T452 D457 Y458 L603	R450-Q454 WeakPolarHBondContact O-CG 3.38Å; R450-Q454 PolarHBondContact O-N 3.14Å; Q451-Q454 WeakPolarHBondContact O-CB 3.37Å; Q451-Q454 PolarHBondContact O-N 3.33Å; T452-Q454 VanDerWaalsContact C-N 3.31Å; T452-Q454 PolarHBondContact O-N 2.84Å; Q454-D457 PolarHBondContact O-N 3.06Å; Q454-Y458 PolarHBondContact O-N 3.48Å; Q454-Y458 VanDerWaalsContact O-N 3.08Å; Q454-L603 HydrophobicContact CG-CD1 3.53Å; Q454-L603 HydrophobicContact CG-CD2 3.97Å; Q454-L603 HydrophobicContact CG-CG 4.43Å
455	G	97.5	Very high	95.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-44.2	175.4	0	0	0	0	0	112.2	Q451 T452 Y458 L459	Q451-G455 PolarHBondContact O-N 3.4Å; T452-G455 PolarHBondContact O-N 2.94Å; G455-Y458 WeakPolarHBondContact O-CB 3.35Å; G455-Y458 PolarHBondContact O-N 3.25Å; G455-L459 PolarHBondContact O-N 3.17Å; G455-L459 VanDerWaalsContact O-N 3.11Å
456	M	98	Very high	95.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-69	-38.3	178.6	-70.3	-58.4	-59.4	0	0	113.4	T452 A453 Y458 L459 H460 H466 M469 I484 D530 F599	T452-M456 WeakPolarHBondContact O-CG 3.42Å; T452-M456 PolarHBondContact O-N 2.98Å; T452-M456 VanDerWaalsContact O-N 3.08Å; A453-M456 PolarHBondContact O-N 2.82Å; M456-Y458 VanDerWaalsContact C-N 3.29Å; M456-Y458 PolarHBondContact O-N 3.27Å; M456-L459 PolarHBondContact O-N 3.39Å; M456-L459 HydrophobicContact SD-CD1 4.06Å; M456-H460 PolarHBondContact O-N 3.09Å; M456-H466 HydrophobicContact CE-CB 3.85Å; M456-H466 HydrophobicContact SD-CB 4.28Å; M456-M469 HydrophobicContact CG-CE 3.93Å; M456-M469 HydrophobicContact SD-CE 4.11Å; M456-M469 HydrophobicContact SD-CG 4.47Å; M456-M469 HydrophobicContact SD-SD 3.94Å; M456-I484 HydrophobicContact CG-CD1 3.85Å; M456-I484 HydrophobicContact SD-CD1 4.03Å; M456-D530 HydrophobicContact CE-CB 3.73Å; M456-F599 HydrophobicContact CB-CD1 3.63Å; M456-F599 HydrophobicContact CB-CD2 3.8Å; M456-F599 HydrophobicContact CB-CE1 3.34Å; M456-F599 HydrophobicContact CB-CE2 3.52Å; M456-F599 HydrophobicContact CB-CG 3.85Å; M456-F599 HydrophobicContact CB-CZ 3.29Å; M456-F599 HydrophobicContact CE-CE2 3.89Å; M456-F599 HydrophobicContact CE-CZ 4.05Å; M456-F599 HydrophobicContact CG-CE1 3.86Å; M456-F599 HydrophobicContact CG-CE2 4.17Å; M456-F599 HydrophobicContact CG-CZ 3.61Å
457	D	97.7	Very high	95.1	Very high	44 Å²	44	30.7 Å²	30.7	24%	0.235	16%	0.157	C	C	.	.	H	α-helix	trans	-57.8	-44.5	172.8	-169.7	45.1	0	0	0	110.9	A453 Q454 L459 H460 A461 F599 P600	A453-D457 VanDerWaalsContact O-CB 3.31Å; A453-D457 WeakPolarHBondContact O-CB 3.48Å; A453-D457 PolarHBondContact O-N 3.37Å; Q454-D457 PolarHBondContact O-N 3.06Å; D457-L459 PolarHBondContact O-N 3.4Å; D457-H460 PolarHBondContact O-N 3.34Å; D457-A461 VanDerWaalsContact O-CB 3.29Å; D457-A461 WeakPolarHBondContact O-CB 3.11Å; D457-A461 PolarHBondContact O-N 2.96Å; D457-F599 HydrophobicContact CB-CB 3.82Å; D457-P600 WeakPolarHBondContact OD1-CD 3.46Å; D457-P600 VanDerWaalsContact OD1-CG 3.26Å; D457-P600 WeakPolarHBondContact OD1-CG 3.39Å
458	Y	96.9	Very high	94.7	Very high	42 Å²	42	30 Å²	30	17%	0.165	15%	0.153	C	C	.	.	H	α-helix	trans	-58.9	-45.4	174.7	173.2	-90.7	0	0	0	112.7	K399 T400 R401 H402 I405 Q454 G455 M456 A461 K462	K399-Y458 PolarHBondContact O-OH 3.25Å; T400-Y458 WeakPolarHBondContact CA-OH 3.35Å; T400-Y458 HydrophobicContact CG2-CE1 4.36Å; R401-Y458 PolarHBondContact N-OH 3.02Å; R401-Y458 PolarHBondContact O-OH 3.42Å; H402-Y458 HydrophobicContact CB-CD1 3.72Å; H402-Y458 HydrophobicContact CB-CD2 3.88Å; H402-Y458 HydrophobicContact CB-CE1 3.89Å; H402-Y458 HydrophobicContact CB-CE2 4.02Å; H402-Y458 HydrophobicContact CB-CG 3.73Å; H402-Y458 AromaticContact CD2-CD2 3.72Å; H402-Y458 AromaticContact CD2-CG 3.89Å; H402-Y458 AromaticContact CG-CD2 3.96Å; H402-Y458 AromaticContact CG-CG 3.78Å; I405-Y458 HydrophobicContact CG1-CD1 3.91Å; I405-Y458 HydrophobicContact CG1-CE1 4.42Å; Q454-Y458 PolarHBondContact O-N 3.48Å; Q454-Y458 VanDerWaalsContact O-N 3.08Å; G455-Y458 WeakPolarHBondContact O-CB 3.35Å; G455-Y458 PolarHBondContact O-N 3.25Å; M456-Y458 VanDerWaalsContact C-N 3.29Å; M456-Y458 PolarHBondContact O-N 3.27Å; Y458-A461 PolarHBondContact O-N 3.3Å; Y458-K462 HydrophobicContact CE1-CG 4.35Å; Y458-K462 WeakPolarHBondContact O-CG 3.15Å; Y458-K462 PolarHBondContact O-N 3.44Å
459	L	94.7	Very high	94.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.3	-46	177.9	-69.6	177.9	0	0	0	111.4	T400 I405 G455 M456 D457 A461 K462 N463 I464 F487	T400-L459 HydrophobicContact CG2-CD2 4.04Å; I405-L459 HydrophobicContact CD1-CD1 3.84Å; I405-L459 HydrophobicContact CD1-CD2 4.03Å; I405-L459 HydrophobicContact CD1-CG 3.74Å; I405-L459 HydrophobicContact CG1-CD2 4.4Å; I405-L459 HydrophobicContact CG1-CG 4.48Å; G455-L459 PolarHBondContact O-N 3.17Å; G455-L459 VanDerWaalsContact O-N 3.11Å; M456-L459 PolarHBondContact O-N 3.39Å; M456-L459 HydrophobicContact SD-CD1 4.06Å; D457-L459 PolarHBondContact O-N 3.4Å; L459-A461 PolarHBondContact O-N 3.5Å; L459-K462 CarbonylContact O-C 3.59Å; L459-K462 WeakPolarHBondContact O-CA 3.43Å; L459-K462 WeakPolarHBondContact O-CB 3.46Å; L459-K462 PolarHBondContact O-N 3.03Å; L459-N463 PolarHBondContact O-N 3.25Å; L459-I464 CarbonylContact C-O 3.55Å; L459-I464 HydrophobicContact CB-CB 4.23Å; L459-I464 HydrophobicContact CD2-CB 4.37Å; L459-I464 HydrophobicContact CD2-CD1 4.13Å; L459-I464 HydrophobicContact CD2-CG2 4.28Å; L459-I464 WeakPolarHBondContact O-CB 3.37Å; L459-I464 PolarHBondContact O-N 2.8Å; L459-F487 HydrophobicContact CD1-CB 4.22Å; L459-F487 HydrophobicContact CD1-CD1 4.47Å; L459-F487 HydrophobicContact CD1-CD2 4.34Å; L459-F487 HydrophobicContact CD1-CG 4.1Å; L459-F487 HydrophobicContact CD2-CD2 3.96Å; L459-F487 HydrophobicContact CD2-CE2 3.89Å; L459-F487 HydrophobicContact CD2-CG 4.46Å; L459-F487 HydrophobicContact CD2-CZ 4.38Å
460	H	94.9	Very high	94.4	Very high	14 Å²	14	31 Å²	31	7%	0.065	16%	0.158	C	C	.	.	H	α-helix	trans	-66.3	-37.4	179.9	-74.9	-162.2	0	0	0	111.8	M456 D457 K462 N463 I464 F527 D530 F599	M456-H460 PolarHBondContact O-N 3.09Å; D457-H460 PolarHBondContact O-N 3.34Å; H460-K462 PolarHBondContact O-N 2.78Å; H460-N463 WeakPolarHBondContact O-CA 2.99Å; H460-N463 PolarHBondContact O-N 2.72Å; H460-I464 PolarHBondContact CD2-O 3.21Å; H460-I464 VanDerWaalsContact CD2-O 3.27Å; H460-F527 HydrophobicContact CB-CD1 4.2Å; H460-F527 HydrophobicContact CB-CE1 4.26Å; H460-F527 AromaticContact CD2-CD1 3.66Å; H460-F527 VanDerWaalsContact CE1-CA 3.44Å; H460-F527 WeakPolarHBondContact CE1-CA 3.33Å; H460-F527 AromaticContact CE1-CD1 3.72Å; H460-F527 AromaticContact CE1-CG 3.9Å; H460-F527 PolarHBondContact CE1-O 3.09Å; H460-F527 AromaticContact CG-CD1 3.58Å; H460-F527 AromaticContact CG-CG 4Å; H460-F527 WeakPolarHBondContact ND1-CB 3.12Å; H460-F527 AromaticContact ND1-CD1 3.61Å; H460-F527 AromaticContact ND1-CG 3.61Å; H460-F527 AromaticContact NE2-CD1 3.74Å; H460-D530 IonicContact CD2-OD2 2.91Å; H460-D530 IonicContact CE1-OD2 2.8Å; H460-D530 IonicContact NE2-OD2 2.79Å; H460-D530 PolarHBondContact NE2-OD2 3.09Å; H460-F599 AromaticContact CE1-CD2 3.46Å; H460-F599 VanDerWaalsContact CE1-CD2 3.46Å; H460-F599 WeakPolarHBondContact CE1-CD2 3.36Å; H460-F599 AromaticContact CE1-CE2 3.44Å; H460-F599 VanDerWaalsContact CE1-CE2 3.44Å; H460-F599 WeakPolarHBondContact CE1-CE2 3.32Å; H460-F599 AromaticContact ND1-CD2 3.38Å; H460-F599 WeakPolarHBondContact ND1-CD2 3.48Å; H460-F599 AromaticContact ND1-CE2 3.88Å
461	A	94.6	Very high	94.3	Very high	76 Å²	76	29.3 Å²	29.3	63%	0.628	15%	0.151	S	C	*	.	H	α-helix	trans	-61.9	-26	172.5	0	0	0	0	0	112.9	D457 Y458 L459 N463	D457-A461 VanDerWaalsContact O-CB 3.29Å; D457-A461 WeakPolarHBondContact O-CB 3.11Å; D457-A461 PolarHBondContact O-N 2.96Å; Y458-A461 PolarHBondContact O-N 3.3Å; L459-A461 PolarHBondContact O-N 3.5Å; A461-N463 VanDerWaalsContact C-N 3.32Å
462	K	91.6	Very high	94.1	Very high	112 Å²	112	31.2 Å²	31.2	49%	0.487	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	6.4	172.1	-67.7	-73	-176.7	175.7	0	113.4	Y458 L459 H460 I464	Y458-K462 HydrophobicContact CE1-CG 4.35Å; Y458-K462 WeakPolarHBondContact O-CG 3.15Å; Y458-K462 PolarHBondContact O-N 3.44Å; L459-K462 CarbonylContact O-C 3.59Å; L459-K462 WeakPolarHBondContact O-CA 3.43Å; L459-K462 WeakPolarHBondContact O-CB 3.46Å; L459-K462 PolarHBondContact O-N 3.03Å; H460-K462 PolarHBondContact O-N 2.78Å; K462-I464 VanDerWaalsContact C-N 3.3Å; K462-I464 HydrophobicContact CB-CD1 3.87Å; K462-I464 HydrophobicContact CB-CG1 4.04Å
463	N	90.5	Very high	93.8	Very high	132 Å²	132	31.6 Å²	31.6	71%	0.706	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	35.2	-173.3	-61.2	-57.5	0	0	0	114	L459 H460 A461	L459-N463 PolarHBondContact O-N 3.25Å; H460-N463 WeakPolarHBondContact O-CA 2.99Å; H460-N463 PolarHBondContact O-N 2.72Å; A461-N463 VanDerWaalsContact C-N 3.32Å
464	I	89.7	Confident	93.7	Very high	15 Å²	15	31.6 Å²	31.6	8%	0.077	16%	0.164	C	C	.	.			trans	-103.9	122.5	177.4	-57	171.1	0	0	0	108.6	V396 T400 L459 H460 K462 F487	V396-I464 HydrophobicContact CG1-CD1 3.58Å; V396-I464 HydrophobicContact CG1-CG1 3.77Å; V396-I464 HydrophobicContact CG1-CG2 4.06Å; T400-I464 HydrophobicContact CG2-CD1 3.69Å; L459-I464 CarbonylContact C-O 3.55Å; L459-I464 HydrophobicContact CB-CB 4.23Å; L459-I464 HydrophobicContact CD2-CB 4.37Å; L459-I464 HydrophobicContact CD2-CD1 4.13Å; L459-I464 HydrophobicContact CD2-CG2 4.28Å; L459-I464 WeakPolarHBondContact O-CB 3.37Å; L459-I464 PolarHBondContact O-N 2.8Å; H460-I464 PolarHBondContact CD2-O 3.21Å; H460-I464 VanDerWaalsContact CD2-O 3.27Å; K462-I464 VanDerWaalsContact C-N 3.3Å; K462-I464 HydrophobicContact CB-CD1 3.87Å; K462-I464 HydrophobicContact CB-CG1 4.04Å; I464-F487 HydrophobicContact CG2-CD2 4.35Å
465	I	90.3	Very high	93.6	Very high	34 Å²	34	33 Å²	33	17%	0.174	17%	0.17	C	C	.	.			trans	-94.9	127.7	170.7	-54.7	169.7	0	0	0	107.5	R467 F527 D530	I465-R467 HydrophobicContact CB-CG 4.11Å; I465-R467 HydrophobicContact CG2-CG 3.62Å; I465-F527 HydrophobicContact CG1-CD1 3.77Å; I465-F527 HydrophobicContact CG1-CE1 3.76Å; I465-D530 WeakPolarHBondContact CA-OD2 3.25Å; I465-D530 WeakPolarHBondContact CG2-OD2 3.37Å
466	H	91.6	Very high	93.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.			trans	-70.4	-44	-177.8	-173.2	-38.1	0	0	0	112	M456 D468 M469 I484 G485 F487 D530	M456-H466 HydrophobicContact CE-CB 3.85Å; M456-H466 HydrophobicContact SD-CB 4.28Å; H466-D468 PolarHBondContact CE1-O 3.39Å; H466-D468 VanDerWaalsContact CE1-O 3.31Å; H466-D468 PolarHBondContact ND1-N 2.79Å; H466-D468 PolarHBondContact O-N 3.45Å; H466-M469 HydrophobicContact CB-CB 4.45Å; H466-I484 WeakPolarHBondContact NE2-CG2 3.42Å; H466-G485 PolarHBondContact NE2-O 2.69Å; H466-F487 HydrophobicContact CB-CB 4.18Å; H466-D530 PolarHBondContact N-OD1 3.38Å; H466-D530 PolarHBondContact N-OD2 3.15Å
467	R	89	Confident	93.1	Very high	58 Å²	58	34.7 Å²	34.7	22%	0.219	18%	0.178	C	C	.	.	S	Bend	trans	67.6	-10.4	176.5	-52.6	172.9	176.1	-144.7	3.9	117.1	I465 A490 T491 F525 D530	I465-R467 HydrophobicContact CB-CG 4.11Å; I465-R467 HydrophobicContact CG2-CG 3.62Å; R467-A490 HydrophobicContact CB-CB 3.51Å; R467-A490 HydrophobicContact CG-CB 4.22Å; R467-T491 VanDerWaalsContact CZ-CG2 3.44Å; R467-F525 HydrophobicContact CB-CD1 3.77Å; R467-F525 HydrophobicContact CB-CE1 4.01Å; R467-F525 HydrophobicContact CB-CG 4.43Å; R467-F525 HydrophobicContact CG-CB 4.12Å; R467-F525 HydrophobicContact CG-CD1 3.85Å; R467-F525 HydrophobicContact CG-CG 4.07Å; R467-D530 PolarHBondContact N-OD1 2.85Å
468	D	87.7	Confident	92.4	Very high	22 Å²	22	38.8 Å²	38.8	12%	0.118	20%	0.196	C	C	.	.	S	Bend	trans	-143	41.1	178.6	-170.2	38.1	0	0	0	110.3	H466 K470 N473 K493	H466-D468 PolarHBondContact CE1-O 3.39Å; H466-D468 VanDerWaalsContact CE1-O 3.31Å; H466-D468 PolarHBondContact ND1-N 2.79Å; H466-D468 PolarHBondContact O-N 3.45Å; D468-K470 VanDerWaalsContact CG-NZ 3.26Å; D468-K470 PolarHBondContact O-N 3.37Å; D468-K470 WeakPolarHBondContact OD1-CE 3.46Å; D468-K470 IonicContact OD1-NZ 2.69Å; D468-K470 PolarHBondContact OD1-NZ 2.91Å; D468-K470 IonicContact OD2-NZ 2.9Å; D468-K470 PolarHBondContact OD2-NZ 2.87Å; D468-N473 PolarHBondContact O-ND2 3.41Å; D468-N473 PolarHBondContact OD2-ND2 3.23Å; D468-K493 VanDerWaalsContact CG-NZ 3.25Å; D468-K493 IonicContact OD1-NZ 2.77Å; D468-K493 IonicContact OD2-NZ 2.79Å; D468-K493 PolarHBondContact OD2-NZ 2.79Å
469	M	93.4	Very high	91.7	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.21	C	C	.	.			trans	-70.7	123.4	179.6	179.2	57.7	171.3	0	0	109.8	T452 M456 H466 I474 I484 S533 Y534	T452-M469 HydrophobicContact CG2-CE 3.22Å; M456-M469 HydrophobicContact CG-CE 3.93Å; M456-M469 HydrophobicContact SD-CE 4.11Å; M456-M469 HydrophobicContact SD-CG 4.47Å; M456-M469 HydrophobicContact SD-SD 3.94Å; H466-M469 HydrophobicContact CB-CB 4.45Å; M469-I474 HydrophobicContact CE-CD1 3.56Å; M469-I474 HydrophobicContact CE-CG1 4Å; M469-I474 HydrophobicContact SD-CD1 4.33Å; M469-I474 HydrophobicContact SD-CG1 4.35Å; M469-I484 HydrophobicContact CE-CD1 4.42Å; M469-I484 HydrophobicContact SD-CG2 4.42Å; M469-S533 WeakPolarHBondContact O-CB 3.48Å; M469-Y534 HydrophobicContact CE-CD2 4.23Å
470	K	94.3	Very high	91.4	Very high	23 Å²	23	40.7 Å²	40.7	10%	0.1	22%	0.219	C	C	.	.	S	Bend	trans	-166.4	162.1	-178.7	59.7	-168.7	176.1	-153.7	0	111	D468 N472 N473 S508 W511	D468-K470 VanDerWaalsContact CG-NZ 3.26Å; D468-K470 PolarHBondContact O-N 3.37Å; D468-K470 WeakPolarHBondContact OD1-CE 3.46Å; D468-K470 IonicContact OD1-NZ 2.69Å; D468-K470 PolarHBondContact OD1-NZ 2.91Å; D468-K470 IonicContact OD2-NZ 2.9Å; D468-K470 PolarHBondContact OD2-NZ 2.87Å; K470-N472 HydrophobicContact CD-CB 4.35Å; K470-N472 HydrophobicContact CG-CB 4.14Å; K470-N472 PolarHBondContact O-N 3.45Å; K470-N472 VanDerWaalsContact O-N 3.13Å; K470-N473 WeakPolarHBondContact CE-ND2 3.41Å; K470-N473 HydrophobicContact CG-CB 4.25Å; K470-N473 PolarHBondContact O-N 2.73Å; K470-S508 WeakPolarHBondContact CD-OG 3.42Å; K470-S508 PolarHBondContact NZ-OG 3.19Å; K470-W511 HydrophobicContact CB-CD2 3.59Å; K470-W511 HydrophobicContact CB-CE3 4.14Å; K470-W511 HydrophobicContact CB-CG 3.75Å; K470-W511 HydrophobicContact CB-CZ2 4.22Å
471	S	95.5	Very high	91.4	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-61.7	-21.5	-179.1	56.5	0	0	0	0	114.2	L429 Y430 N473 E540	L429-S471 PolarHBondContact N-O 3.32Å; Y430-S471 WeakPolarHBondContact CD2-OG 3.24Å; Y430-S471 PolarHBondContact N-O 3.48Å; S471-N473 VanDerWaalsContact C-N 3.29Å; S471-N473 PolarHBondContact O-N 2.96Å; S471-E540 VanDerWaalsContact CB-OE1 3.3Å; S471-E540 WeakPolarHBondContact CB-OE1 3.39Å; S471-E540 PolarHBondContact OG-OE1 3.14Å; S471-E540 PolarHBondContact OG-OE2 3.28Å
472	N	92.7	Very high	91.5	Very high	55 Å²	55	38.4 Å²	38.4	29%	0.294	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-68.6	-26.4	172	-58.5	84.4	0	0	0	113.6	S428 Y430 K470	S428-N472 WeakPolarHBondContact CB-O 3.43Å; Y430-N472 WeakPolarHBondContact CD2-OD1 3.31Å; K470-N472 HydrophobicContact CD-CB 4.35Å; K470-N472 HydrophobicContact CG-CB 4.14Å; K470-N472 PolarHBondContact O-N 3.45Å; K470-N472 VanDerWaalsContact O-N 3.13Å
473	N	93.1	Very high	91.7	Very high	9 Å²	9	34.1 Å²	34.1	5%	0.048	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-99.6	5.7	-176.7	-69.6	-7.3	0	0	0	112.3	D468 K470 S471 G485 D486	D468-N473 PolarHBondContact O-ND2 3.41Å; D468-N473 PolarHBondContact OD2-ND2 3.23Å; K470-N473 WeakPolarHBondContact CE-ND2 3.41Å; K470-N473 HydrophobicContact CG-CB 4.25Å; K470-N473 PolarHBondContact O-N 2.73Å; S471-N473 VanDerWaalsContact C-N 3.29Å; S471-N473 PolarHBondContact O-N 2.96Å; N473-G485 PolarHBondContact O-N 3.16Å; N473-D486 HydrophobicContact CB-CB 4.44Å
474	I	96.4	Very high	91.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.9	175.1	-59.6	170.2	0	0	0	106.5	S428 L429 T452 M469 V482 V537	S428-I474 CarbonylContact C-O 3.57Å; S428-I474 VanDerWaalsContact CA-O 3.28Å; S428-I474 WeakPolarHBondContact CA-O 3.48Å; L429-I474 HydrophobicContact CB-CB 4.07Å; L429-I474 HydrophobicContact CB-CG2 4.1Å; L429-I474 HydrophobicContact CD2-CB 4.44Å; L429-I474 HydrophobicContact CD2-CD1 4.15Å; L429-I474 HydrophobicContact CD2-CG2 4.18Å; L429-I474 PolarHBondContact N-O 2.86Å; T452-I474 HydrophobicContact CG2-CD1 3.8Å; T452-I474 HydrophobicContact CG2-CG1 4.47Å; M469-I474 HydrophobicContact CE-CD1 3.56Å; M469-I474 HydrophobicContact CE-CG1 4Å; M469-I474 HydrophobicContact SD-CD1 4.33Å; M469-I474 HydrophobicContact SD-CG1 4.35Å; I474-V482 HydrophobicContact CG2-CG1 3.68Å; I474-V537 HydrophobicContact CD1-CB 4.48Å; I474-V537 HydrophobicContact CD1-CG1 3.69Å; I474-V537 HydrophobicContact CD1-CG2 4.03Å
475	F	95.5	Very high	91.9	Very high	57 Å²	57	27.1 Å²	27.1	25%	0.25	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.5	178.9	-59.7	-92.8	0	0	0	109.9	C424 V482 K483	C424-F475 HydrophobicContact CB-CB 4.44Å; F475-V482 CarbonylContact O-C 3.57Å; F475-V482 WeakPolarHBondContact O-CA 3.41Å; F475-K483 HydrophobicContact CB-CB 4.29Å; F475-K483 PolarHBondContact N-O 2.91Å; F475-K483 PolarHBondContact O-N 2.9Å
476	L	95.5	Very high	91.5	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	109.8	168.5	-57.2	-175.5	0	0	0	107.1	G426 S427 L429 F440 I448 L480 V482	G426-L476 VanDerWaalsContact CA-O 3.24Å; G426-L476 WeakPolarHBondContact CA-O 3.28Å; S427-L476 PolarHBondContact N-O 3.19Å; S427-L476 PolarHBondContact O-N 3.15Å; L429-L476 HydrophobicContact CD1-CD1 4.12Å; F440-L476 HydrophobicContact CE1-CD1 4.36Å; F440-L476 HydrophobicContact CZ-CD1 3.76Å; I448-L476 HydrophobicContact CD1-CD1 4Å; I448-L476 HydrophobicContact CD1-CD2 4.18Å; I448-L476 HydrophobicContact CG1-CD2 4.1Å; I448-L476 HydrophobicContact CG2-CD2 4.18Å; L476-L480 HydrophobicContact CD1-CD2 4.1Å; L476-V482 HydrophobicContact CD2-CG2 3.89Å
477	H	88.8	Confident	90.7	Very high	28 Å²	28	28.6 Å²	28.6	13%	0.13	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	156.7	176.5	-178.1	59.5	0	0	0	109.3	E425 G479 L480 T481 K483	E425-H477 PolarHBondContact N-ND1 3.13Å; H477-G479 PolarHBondContact O-N 3.04Å; H477-L480 CarbonylContact O-C 3.47Å; H477-L480 PolarHBondContact O-N 3.02Å; H477-L480 VanDerWaalsContact O-N 3.13Å; H477-T481 PolarHBondContact N-O 2.94Å; H477-T481 PolarHBondContact O-N 2.83Å; H477-K483 HydrophobicContact CB-CG 4.08Å
478	E	84.5	Confident	89.3	Confident	131 Å²	131	26.2 Å²	26.2	61%	0.612	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	4.3	110.1	172.4	-68.4	173.8	-162.6	0	0	115.8	L480 T481	E478-L480 PolarHBondContact O-N 3.4Å; E478-T481 PolarHBondContact O-OG1 3.35Å; E478-T481 VanDerWaalsContact O-OG1 3.06Å
479	G	80.8	Confident	88	Confident	46 Å²	46	25.5 Å²	25.5	47%	0.474	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	27.4	178.7	0	0	0	0	0	115	H477 T481	H477-G479 PolarHBondContact O-N 3.04Å; G479-T481 VanDerWaalsContact C-N 3.28Å; G479-T481 PolarHBondContact O-N 2.63Å
480	L	88.2	Confident	86.2	Confident	36 Å²	36	26 Å²	26	19%	0.188	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	27	-178.4	-52.3	174	0	0	0	114.1	F440 Q444 Q451 L476 H477 E478 V482	F440-L480 HydrophobicContact CE1-CD1 4.38Å; F440-L480 HydrophobicContact CE1-CD2 3.75Å; F440-L480 HydrophobicContact CZ-CD2 4.48Å; Q444-L480 HydrophobicContact CB-CD1 4.33Å; Q444-L480 HydrophobicContact CG-CD1 4.19Å; Q451-L480 PolarHBondContact NE2-O 3.49Å; L476-L480 HydrophobicContact CD1-CD2 4.1Å; H477-L480 CarbonylContact O-C 3.47Å; H477-L480 PolarHBondContact O-N 3.02Å; H477-L480 VanDerWaalsContact O-N 3.13Å; E478-L480 PolarHBondContact O-N 3.4Å; L480-V482 PolarHBondContact O-N 2.83Å
481	T	95.4	Very high	84.2	Confident	41 Å²	41	26.8 Å²	26.8	25%	0.252	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	119.6	169.6	-57.4	0	0	0	0	109.7	V403 H477 E478 G479	V403-T481 HydrophobicContact CG2-CG2 4.28Å; H477-T481 PolarHBondContact N-O 2.94Å; H477-T481 PolarHBondContact O-N 2.83Å; E478-T481 PolarHBondContact O-OG1 3.35Å; E478-T481 VanDerWaalsContact O-OG1 3.06Å; G479-T481 VanDerWaalsContact C-N 3.28Å; G479-T481 PolarHBondContact O-N 2.63Å
482	V	97.6	Very high	82.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	136.9	178.8	171.3	0	0	0	0	110.7	N404 I448 Q451 I474 F475 L476 L480 I484	N404-V482 WeakPolarHBondContact CA-O 3.32Å; N404-V482 PolarHBondContact ND2-O 3.19Å; I448-V482 HydrophobicContact CB-CG2 4.38Å; I448-V482 HydrophobicContact CG2-CG2 3.98Å; Q451-V482 HydrophobicContact CB-CB 3.75Å; Q451-V482 HydrophobicContact CB-CG2 3.69Å; I474-V482 HydrophobicContact CG2-CG1 3.68Å; F475-V482 CarbonylContact O-C 3.57Å; F475-V482 WeakPolarHBondContact O-CA 3.41Å; L476-V482 HydrophobicContact CD2-CG2 3.89Å; L480-V482 PolarHBondContact O-N 2.83Å; V482-I484 HydrophobicContact CG1-CG1 4.26Å
483	K	95.8	Very high	80.4	Confident	22 Å²	22	25.7 Å²	25.7	10%	0.096	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	115.8	170.2	-62.6	-74	-178.8	178.4	0	109.9	V403 L406 F475 H477	V403-K483 WeakPolarHBondContact O-CD 3.47Å; V403-K483 WeakPolarHBondContact O-CE 3.15Å; V403-K483 PolarHBondContact O-NZ 3.16Å; L406-K483 HydrophobicContact CD1-CB 4.19Å; F475-K483 HydrophobicContact CB-CB 4.29Å; F475-K483 PolarHBondContact N-O 2.91Å; F475-K483 PolarHBondContact O-N 2.9Å; H477-K483 HydrophobicContact CB-CG 4.08Å
484	I	95.1	Very high	78.5	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	123.2	176	-55.4	173.5	0	0	0	109.1	N404 I405 L406 T452 M456 H466 M469 V482	N404-I484 WeakPolarHBondContact O-CG1 3.44Å; N404-I484 PolarHBondContact O-N 2.9Å; I405-I484 HydrophobicContact CD1-CB 3.98Å; I405-I484 HydrophobicContact CD1-CD1 4.28Å; L406-I484 WeakPolarHBondContact CB-O 3.49Å; L406-I484 PolarHBondContact N-O 2.93Å; T452-I484 HydrophobicContact CG2-CD1 4.22Å; T452-I484 WeakPolarHBondContact O-CD1 3.41Å; M456-I484 HydrophobicContact CG-CD1 3.85Å; M456-I484 HydrophobicContact SD-CD1 4.03Å; H466-I484 WeakPolarHBondContact NE2-CG2 3.42Å; M469-I484 HydrophobicContact CE-CD1 4.42Å; M469-I484 HydrophobicContact SD-CG2 4.42Å; V482-I484 HydrophobicContact CG1-CG1 4.26Å
485	G	89.7	Confident	76.3	Confident	1 Å²	1	34 Å²	34	1%	0.01	18%	0.181	C	C	.	.			trans	-119.5	-180	178.8	0	0	0	0	0	112.9	H466 N473 F487	H466-G485 PolarHBondContact NE2-O 2.69Å; N473-G485 PolarHBondContact O-N 3.16Å; G485-F487 PolarHBondContact O-N 2.69Å
486	D	81.8	Confident	74.3	Confident	60 Å²	60	32.9 Å²	32.9	32%	0.321	18%	0.175	S	C	.	.	S	Bend	trans	54.8	24.6	174.5	-82.7	-1.4	0	0	0	115.9	K375 N473	K375-D486 IonicContact NZ-OD1 3.44Å; K375-D486 PolarHBondContact NZ-OD1 3.11Å; K375-D486 IonicContact NZ-OD2 3.56Å; K375-D486 PolarHBondContact NZ-OD2 2.81Å; N473-D486 HydrophobicContact CB-CB 4.44Å
487	F	73.6	Confident	72.3	Confident	5 Å²	5	37.2 Å²	37.2	2%	0.022	21%	0.206	C	C	.	.			trans	-79.7	157.5	171.3	59.4	-87.4	0	0	0	112	L397 T400 I405 L459 I464 H466 G485 L489	L397-F487 HydrophobicContact CD2-CD2 3.94Å; L397-F487 HydrophobicContact CD2-CE1 4.47Å; L397-F487 HydrophobicContact CD2-CE2 3.37Å; L397-F487 HydrophobicContact CD2-CZ 3.68Å; T400-F487 HydrophobicContact CG2-CE2 3.77Å; T400-F487 HydrophobicContact CG2-CZ 4.11Å; I405-F487 HydrophobicContact CG2-CD1 4.5Å; I405-F487 HydrophobicContact CG2-CE1 3.43Å; I405-F487 VanDerWaalsContact CG2-CE1 3.43Å; I405-F487 HydrophobicContact CG2-CE2 4.49Å; I405-F487 HydrophobicContact CG2-CZ 3.42Å; I405-F487 VanDerWaalsContact CG2-CZ 3.42Å; L459-F487 HydrophobicContact CD1-CB 4.22Å; L459-F487 HydrophobicContact CD1-CD1 4.47Å; L459-F487 HydrophobicContact CD1-CD2 4.34Å; L459-F487 HydrophobicContact CD1-CG 4.1Å; L459-F487 HydrophobicContact CD2-CD2 3.96Å; L459-F487 HydrophobicContact CD2-CE2 3.89Å; L459-F487 HydrophobicContact CD2-CG 4.46Å; L459-F487 HydrophobicContact CD2-CZ 4.38Å; I464-F487 HydrophobicContact CG2-CD2 4.35Å; H466-F487 HydrophobicContact CB-CB 4.18Å; G485-F487 PolarHBondContact O-N 2.69Å; F487-L489 PolarHBondContact O-N 2.57Å
488	G	60.9	Low	70	Confident	7 Å²	7	37.8 Å²	37.8	7%	0.072	22%	0.219	C	C	.	.	S	Bend	trans	75.6	-30.4	176.4	0	0	0	0	0	115	E393 A490 T491	E393-G488 WeakPolarHBondContact OE1-CA 3.43Å; G488-A490 PolarHBondContact O-N 3.49Å; G488-T491 PolarHBondContact O-N 3.15Å
489	L	60.1	Low	67.8	Low	7 Å²	7	37.9 Å²	37.9	4%	0.037	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-16.6	-174.2	-69.8	170.1	0	0	0	114.7	E393 I419 F487 T491 V492 K493 W496	E393-L489 HydrophobicContact CG-CD2 3.76Å; E393-L489 PolarHBondContact OE1-N 2.87Å; I419-L489 HydrophobicContact CD1-CD2 3.81Å; F487-L489 PolarHBondContact O-N 2.57Å; L489-T491 VanDerWaalsContact C-N 3.32Å; L489-T491 PolarHBondContact O-N 3.11Å; L489-V492 HydrophobicContact CD2-CG2 4.35Å; L489-V492 CarbonylContact O-C 3.48Å; L489-V492 WeakPolarHBondContact O-CA 3.33Å; L489-V492 WeakPolarHBondContact O-CB 3.37Å; L489-V492 WeakPolarHBondContact O-CG2 3.28Å; L489-V492 PolarHBondContact O-N 3.23Å; L489-K493 WeakPolarHBondContact O-CG 3.4Å; L489-K493 PolarHBondContact O-N 2.86Å; L489-W496 HydrophobicContact CD2-CH2 4.16Å
490	A	54.1	Low	66	Low	13 Å²	13	42.9 Å²	42.9	11%	0.107	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-30.2	-177.2	0	0	0	0	0	115.1	R467 G488 V492 K493 S494	R467-A490 HydrophobicContact CB-CB 3.51Å; R467-A490 HydrophobicContact CG-CB 4.22Å; G488-A490 PolarHBondContact O-N 3.49Å; A490-V492 PolarHBondContact O-N 3.4Å; A490-K493 HydrophobicContact CB-CD 4.26Å; A490-K493 WeakPolarHBondContact O-CB 3.36Å; A490-K493 PolarHBondContact O-N 3.44Å; A490-S494 PolarHBondContact O-N 2.91Å
491	T	53.9	Low	63.8	Low	39 Å²	39	50.7 Å²	50.7	24%	0.239	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-32.9	172.2	58.9	0	0	0	0	111.7	R467 G488 L489 S494 R495	R467-T491 VanDerWaalsContact CZ-CG2 3.44Å; G488-T491 PolarHBondContact O-N 3.15Å; L489-T491 VanDerWaalsContact C-N 3.32Å; L489-T491 PolarHBondContact O-N 3.11Å; T491-S494 PolarHBondContact O-OG 2.65Å; T491-R495 PolarHBondContact O-N 3.4Å
492	V	52.3	Low	61.2	Low	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-77.2	-36.4	177.2	-126.9	0	0	0	0	109.8	A389 E393 L489 A490 S494 R495 W496	A389-V492 HydrophobicContact CB-CG1 3.61Å; E393-V492 HydrophobicContact CB-CG2 3.9Å; E393-V492 HydrophobicContact CG-CG2 3.9Å; L489-V492 HydrophobicContact CD2-CG2 4.35Å; L489-V492 CarbonylContact O-C 3.48Å; L489-V492 WeakPolarHBondContact O-CA 3.33Å; L489-V492 WeakPolarHBondContact O-CB 3.37Å; L489-V492 WeakPolarHBondContact O-CG2 3.28Å; L489-V492 PolarHBondContact O-N 3.23Å; A490-V492 PolarHBondContact O-N 3.4Å; V492-S494 VanDerWaalsContact C-N 3.33Å; V492-S494 PolarHBondContact O-N 3.48Å; V492-R495 PolarHBondContact O-N 2.81Å; V492-W496 HydrophobicContact CB-CD2 3.69Å; V492-W496 HydrophobicContact CB-CE3 3.84Å; V492-W496 HydrophobicContact CB-CG 4.49Å; V492-W496 HydrophobicContact CB-CH2 3.51Å; V492-W496 HydrophobicContact CB-CZ2 3.32Å; V492-W496 HydrophobicContact CB-CZ3 3.74Å; V492-W496 HydrophobicContact CG1-CD2 3.72Å; V492-W496 HydrophobicContact CG1-CE3 4.36Å; V492-W496 HydrophobicContact CG1-CG 4.26Å; V492-W496 HydrophobicContact CG1-CH2 3.87Å; V492-W496 HydrophobicContact CG1-CZ2 3.11Å; V492-W496 HydrophobicContact CG1-CZ3 4.42Å; V492-W496 HydrophobicContact CG2-CH2 4.12Å; V492-W496 HydrophobicContact CG2-CZ2 4.11Å; V492-W496 WeakPolarHBondContact O-CB 3.3Å; V492-W496 PolarHBondContact O-N 2.67Å
493	K	55.4	Low	59	Low	32 Å²	32	55.9 Å²	55.9	14%	0.139	31%	0.309	C	S	.	.	H	α-helix	trans	-52.3	-45.5	172.7	-58.8	-176.9	-179.1	-175	0	113.4	F360 D468 L489 A490 S497	F360-K493 HydrophobicContact CD1-CB 4.22Å; F360-K493 HydrophobicContact CD1-CG 3.87Å; F360-K493 HydrophobicContact CD2-CD 3.89Å; F360-K493 HydrophobicContact CD2-CG 3.74Å; F360-K493 HydrophobicContact CE1-CB 3.46Å; F360-K493 VanDerWaalsContact CE1-CB 3.46Å; F360-K493 HydrophobicContact CE1-CD 4.09Å; F360-K493 HydrophobicContact CE1-CG 3.42Å; F360-K493 VanDerWaalsContact CE1-CG 3.42Å; F360-K493 HydrophobicContact CE2-CB 4.14Å; F360-K493 HydrophobicContact CE2-CD 3.1Å; F360-K493 HydrophobicContact CE2-CG 3.28Å; F360-K493 HydrophobicContact CG-CG 4.03Å; F360-K493 HydrophobicContact CZ-CB 3.44Å; F360-K493 VanDerWaalsContact CZ-CB 3.44Å; F360-K493 HydrophobicContact CZ-CD 3.25Å; F360-K493 HydrophobicContact CZ-CG 3.12Å; D468-K493 VanDerWaalsContact CG-NZ 3.25Å; D468-K493 IonicContact OD1-NZ 2.77Å; D468-K493 IonicContact OD2-NZ 2.79Å; D468-K493 PolarHBondContact OD2-NZ 2.79Å; L489-K493 WeakPolarHBondContact O-CG 3.4Å; L489-K493 PolarHBondContact O-N 2.86Å; A490-K493 HydrophobicContact CB-CD 4.26Å; A490-K493 WeakPolarHBondContact O-CB 3.36Å; A490-K493 PolarHBondContact O-N 3.44Å; K493-S497 PolarHBondContact O-OG 3.44Å
494	S	52.4	Low	56.6	Low	39 Å²	39	61 Å²	61	27%	0.273	33%	0.333	S	S	.	.	H	α-helix	trans	-75.3	-36.4	-178.5	63.1	0	0	0	0	112.8	A490 T491 V492	A490-S494 PolarHBondContact O-N 2.91Å; T491-S494 PolarHBondContact O-OG 2.65Å; V492-S494 VanDerWaalsContact C-N 3.33Å; V492-S494 PolarHBondContact O-N 3.48Å
495	R	52	Low	54.5	Low	145 Å²	145	62.7 Å²	62.7	55%	0.547	34%	0.344	S	S	.	.	H	α-helix	trans	-77.1	-24.7	177.1	-70	-177.1	176.9	161.4	0.4	113.9	T491 V492 S497	T491-R495 PolarHBondContact O-N 3.4Å; V492-R495 PolarHBondContact O-N 2.81Å; R495-S497 VanDerWaalsContact C-N 3.29Å; R495-S497 PolarHBondContact O-N 3.45Å
496	W	53.6	Low	52.5	Low	33 Å²	33	67.5 Å²	67.5	13%	0.125	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-15.9	180	-72.1	-26.3	0	0	0	114.1	F360 L377 L489 V492 G498	F360-W496 HydrophobicContact CB-CE3 3.98Å; F360-W496 HydrophobicContact CB-CZ3 3.57Å; F360-W496 AromaticContact CD1-CE3 3.46Å; F360-W496 HydrophobicContact CD1-CE3 3.46Å; F360-W496 VanDerWaalsContact CD1-CE3 3.46Å; F360-W496 AromaticContact CD1-CZ3 3.83Å; F360-W496 HydrophobicContact CD1-CZ3 3.83Å; F360-W496 HydrophobicContact CE1-CE3 4.32Å; F360-W496 AromaticContact CG-CE3 3.93Å; F360-W496 HydrophobicContact CG-CE3 3.93Å; F360-W496 AromaticContact CG-CZ3 3.78Å; F360-W496 HydrophobicContact CG-CZ3 3.78Å; L377-W496 HydrophobicContact CD1-CH2 3.9Å; L377-W496 HydrophobicContact CD1-CZ2 3.52Å; L377-W496 HydrophobicContact CD2-CH2 3.71Å; L377-W496 HydrophobicContact CD2-CZ2 4.19Å; L377-W496 HydrophobicContact CD2-CZ3 4.42Å; L377-W496 HydrophobicContact CG-CH2 4.45Å; L377-W496 HydrophobicContact CG-CZ2 4.46Å; L489-W496 HydrophobicContact CD2-CH2 4.16Å; V492-W496 HydrophobicContact CB-CD2 3.69Å; V492-W496 HydrophobicContact CB-CE3 3.84Å; V492-W496 HydrophobicContact CB-CG 4.49Å; V492-W496 HydrophobicContact CB-CH2 3.51Å; V492-W496 HydrophobicContact CB-CZ2 3.32Å; V492-W496 HydrophobicContact CB-CZ3 3.74Å; V492-W496 HydrophobicContact CG1-CD2 3.72Å; V492-W496 HydrophobicContact CG1-CE3 4.36Å; V492-W496 HydrophobicContact CG1-CG 4.26Å; V492-W496 HydrophobicContact CG1-CH2 3.87Å; V492-W496 HydrophobicContact CG1-CZ2 3.11Å; V492-W496 HydrophobicContact CG1-CZ3 4.42Å; V492-W496 HydrophobicContact CG2-CH2 4.12Å; V492-W496 HydrophobicContact CG2-CZ2 4.11Å; V492-W496 WeakPolarHBondContact O-CB 3.3Å; V492-W496 PolarHBondContact O-N 2.67Å; W496-G498 VanDerWaalsContact C-N 3.35Å; W496-G498 PolarHBondContact O-N 3.43Å
497	S	52.2	Low	51.3	Low	96 Å²	96	66.1 Å²	66.1	67%	0.671	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	5	-177.7	-58	0	0	0	0	114.7	K493 R495	K493-S497 PolarHBondContact O-OG 3.44Å; R495-S497 VanDerWaalsContact C-N 3.29Å; R495-S497 PolarHBondContact O-N 3.45Å
498	G	41	Very low	51.6	Low	40 Å²	40	67.7 Å²	67.7	41%	0.412	39%	0.385	S	S	.	.			trans	80.4	117.1	176.2	0	0	0	0	0	113.9	W496 Q500	W496-G498 VanDerWaalsContact C-N 3.35Å; W496-G498 PolarHBondContact O-N 3.43Å; G498-Q500 PolarHBondContact O-N 2.93Å
499	S	39.1	Very low	52.9	Low	133 Å²	133	68 Å²	68	93%	0.93	39%	0.386	S	S	*	.	S	Bend	trans	39.1	-10.7	160.4	62.9	0	0	0	0	123.4
500	Q	41	Very low	54.5	Low	152 Å²	152	69.3 Å²	69.3	71%	0.71	39%	0.393	S	S	*	.			trans	-97.3	107.7	168.6	-69.5	-174.5	7.7	0	0	108.8	G498 V502	G498-Q500 PolarHBondContact O-N 2.93Å; Q500-V502 PolarHBondContact O-N 3.47Å
501	Q	42.3	Very low	56.5	Low	199 Å²	199	69.4 Å²	69.4	93%	0.93	39%	0.39	S	S	*	.			trans	-62.9	16.5	174.4	-73.9	-172.1	-13.1	0	0	114.3	E503	Q501-E503 PolarHBondContact O-N 3.44Å; Q501-E503 VanDerWaalsContact O-N 3.11Å
502	V	41.6	Very low	58.4	Low	101 Å²	101	68.7 Å²	68.7	61%	0.612	38%	0.384	S	S	*	.			trans	-82.2	96.9	174.4	-168.7	0	0	0	0	106.2	Q500 Q504	Q500-V502 PolarHBondContact O-N 3.47Å; V502-Q504 HydrophobicContact CG1-CG 4.08Å; V502-Q504 PolarHBondContact O-N 3.27Å
503	E	50.8	Low	60.4	Low	49 Å²	49	68.7 Å²	68.7	23%	0.229	38%	0.384	C	S	.	.			trans	-58.1	76.4	161.9	-85.7	177.6	170.7	0	0	108	Q501 M519 F525	Q501-E503 PolarHBondContact O-N 3.44Å; Q501-E503 VanDerWaalsContact O-N 3.11Å; E503-M519 HydrophobicContact CB-CE 3.31Å; E503-M519 HydrophobicContact CB-SD 4.47Å; E503-M519 HydrophobicContact CG-CE 4.4Å; E503-M519 WeakPolarHBondContact O-CE 3.23Å; E503-M519 WeakPolarHBondContact OE2-CE 3.22Å; E503-F525 VanDerWaalsContact OE2-CE2 3.32Å; E503-F525 WeakPolarHBondContact OE2-CE2 3.41Å
504	Q	45.7	Very low	62.3	Low	131 Å²	131	67.3 Å²	67.3	61%	0.612	38%	0.378	S	S	*	.			trans	-60.6	137.2	170.3	-77	-124	25.5	0	0	107.1	V502 T506	V502-Q504 HydrophobicContact CG1-CG 4.08Å; V502-Q504 PolarHBondContact O-N 3.27Å; Q504-T506 HydrophobicContact CB-CG2 3.91Å; Q504-T506 PolarHBondContact O-N 3.47Å; Q504-T506 PolarHBondContact O-OG1 3.39Å
505	P	50.3	Low	64.3	Low	34 Å²	34	65.8 Å²	65.8	22%	0.221	37%	0.367	C	S	.	.			trans	-66.3	69.3	175.2	26.4	-32.8	0	0	0	110.8	G507 M512 R554	P505-G507 PolarHBondContact O-N 2.79Å; P505-M512 HydrophobicContact CB-CE 3.45Å; P505-M512 VanDerWaalsContact CB-CE 3.45Å; P505-M512 HydrophobicContact CB-SD 3.94Å; P505-R554 PolarHBondContact O-NH2 3.22Å
506	T	48.1	Very low	66.2	Low	102 Å²	102	59 Å²	59	63%	0.626	34%	0.342	S	S	*	.			trans	-92.8	81.9	178	47	0	0	0	0	106.4	Q504	Q504-T506 HydrophobicContact CB-CG2 3.91Å; Q504-T506 PolarHBondContact O-N 3.47Å; Q504-T506 PolarHBondContact O-OG1 3.39Å
507	G	57.9	Low	68	Low	32 Å²	32	58.2 Å²	58.2	33%	0.33	34%	0.34	S	S	.	.	S	Bend	trans	-173.2	-172.8	-173.6	0	0	0	0	0	113.8	P505 V509	P505-G507 PolarHBondContact O-N 2.79Å; G507-V509 VanDerWaalsContact C-N 3.34Å; G507-V509 PolarHBondContact O-N 3.2Å
508	S	78.2	Confident	69.8	Low	38 Å²	38	58.3 Å²	58.3	27%	0.266	33%	0.326	S	S	.	.			trans	-76.8	85.1	178.1	-56.5	0	0	0	0	109.1	K470 L510 W511	K470-S508 WeakPolarHBondContact CD-OG 3.42Å; K470-S508 PolarHBondContact NZ-OG 3.19Å; S508-L510 PolarHBondContact O-N 2.93Å; S508-W511 VanDerWaalsContact CB-CE3 3.42Å; S508-W511 PolarHBondContact O-N 2.82Å
509	V	89.1	Confident	72	Confident	14 Å²	14	59.1 Å²	59.1	9%	0.085	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-47.9	-36.4	-172.1	173.1	0	0	0	0	113.9	G507 W511 M512 R554 I557 I558	G507-V509 VanDerWaalsContact C-N 3.34Å; G507-V509 PolarHBondContact O-N 3.2Å; V509-W511 PolarHBondContact O-N 3.38Å; V509-W511 VanDerWaalsContact O-N 3.16Å; V509-M512 WeakPolarHBondContact O-CB 3.13Å; V509-M512 PolarHBondContact O-N 3.48Å; V509-R554 HydrophobicContact CG2-CG 4.01Å; V509-R554 VanDerWaalsContact CG2-NE 3.27Å; V509-I557 HydrophobicContact CG1-CG2 4.04Å; V509-I558 HydrophobicContact CB-CG1 4.41Å; V509-I558 HydrophobicContact CG1-CD1 4.43Å; V509-I558 HydrophobicContact CG1-CG1 3.52Å; V509-I558 HydrophobicContact CG2-CD1 3.94Å; V509-I558 HydrophobicContact CG2-CG1 3.93Å
510	L	93.8	Very high	74.2	Confident	34 Å²	34	59.8 Å²	59.8	18%	0.178	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-60.6	-27.6	-173.8	-55.2	178	0	0	0	113.8	S508 L546 P547 Y548 I557	S508-L510 PolarHBondContact O-N 2.93Å; L510-L546 HydrophobicContact CD1-CB 4.18Å; L510-L546 HydrophobicContact CD1-CD1 4.14Å; L510-L546 HydrophobicContact CD1-CD2 4.19Å; L510-L546 HydrophobicContact CD1-CG 4.41Å; L510-P547 HydrophobicContact CB-CG 4.07Å; L510-Y548 HydrophobicContact CD2-CD2 3.92Å; L510-I557 HydrophobicContact CD2-CD1 4.03Å; L510-I557 HydrophobicContact CD2-CG2 4.49Å
511	W	95.6	Very high	76.3	Confident	14 Å²	14	56 Å²	56	5%	0.053	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-95.2	-9.3	179.5	-64	-95.5	0	0	0	113	Y430 K470 S508 V509 A513 Y532 S533 I536 E540 L546	Y430-W511 HydrophobicContact CD2-CH2 4.3Å; Y430-W511 HydrophobicContact CD2-CZ2 4.5Å; Y430-W511 HydrophobicContact CE2-CH2 4.18Å; K470-W511 HydrophobicContact CB-CD2 3.59Å; K470-W511 HydrophobicContact CB-CE3 4.14Å; K470-W511 HydrophobicContact CB-CG 3.75Å; K470-W511 HydrophobicContact CB-CZ2 4.22Å; S508-W511 VanDerWaalsContact CB-CE3 3.42Å; S508-W511 PolarHBondContact O-N 2.82Å; V509-W511 PolarHBondContact O-N 3.38Å; V509-W511 VanDerWaalsContact O-N 3.16Å; W511-A513 PolarHBondContact O-N 3.41Å; W511-Y532 WeakPolarHBondContact O-CD1 3.3Å; W511-S533 WeakPolarHBondContact O-CA 3.16Å; W511-S533 PolarHBondContact O-OG 2.81Å; W511-S533 VanDerWaalsContact O-OG 3.04Å; W511-I536 VanDerWaalsContact CD1-CG2 3.5Å; W511-I536 HydrophobicContact CD2-CG2 4.42Å; W511-I536 HydrophobicContact CG-CB 4.33Å; W511-I536 HydrophobicContact CG-CG2 4Å; W511-E540 VanDerWaalsContact CE2-OE2 3.31Å; W511-E540 WeakPolarHBondContact CZ2-OE2 3.41Å; W511-E540 PolarHBondContact NE1-OE2 3.14Å; W511-L546 HydrophobicContact CH2-CD2 3.89Å; W511-L546 HydrophobicContact CZ2-CD2 3.94Å
512	M	93.3	Very high	78	Confident	24 Å²	24	55 Å²	55	12%	0.118	29%	0.293	C	S	.	.			trans	-73.2	129.4	-174.1	-62.6	-176.2	67	0	0	111.4	P505 V509 V516 I517 Y532	P505-M512 HydrophobicContact CB-CE 3.45Å; P505-M512 VanDerWaalsContact CB-CE 3.45Å; P505-M512 HydrophobicContact CB-SD 3.94Å; V509-M512 WeakPolarHBondContact O-CB 3.13Å; V509-M512 PolarHBondContact O-N 3.48Å; M512-V516 HydrophobicContact CE-CB 4.4Å; M512-V516 HydrophobicContact CE-CG1 3.58Å; M512-I517 HydrophobicContact CB-CD1 4.11Å; M512-I517 HydrophobicContact CB-CG1 3.69Å; M512-I517 HydrophobicContact CE-CG1 4.49Å; M512-Y532 VanDerWaalsContact O-CE1 3.25Å; M512-Y532 WeakPolarHBondContact O-CE1 3.5Å
513	A	94.9	Very high	79.9	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.285	C	S	.	.			trans	-65.9	149.4	175.4	0	0	0	0	0	111.6	W511 E515 V516 I517 Y532	W511-A513 PolarHBondContact O-N 3.41Å; A513-E515 VanDerWaalsContact C-N 3.25Å; A513-E515 VanDerWaalsContact CB-CD 3.46Å; A513-E515 HydrophobicContact CB-CG 4.48Å; A513-E515 VanDerWaalsContact CB-OE1 3.31Å; A513-E515 WeakPolarHBondContact CB-OE1 3.37Å; A513-E515 WeakPolarHBondContact CB-OE2 3.39Å; A513-E515 PolarHBondContact O-N 3.36Å; A513-E515 VanDerWaalsContact O-N 3.16Å; A513-V516 HydrophobicContact CB-CG2 4.1Å; A513-V516 WeakPolarHBondContact O-CA 3.37Å; A513-V516 WeakPolarHBondContact O-CB 3.35Å; A513-V516 PolarHBondContact O-N 2.77Å; A513-I517 PolarHBondContact O-N 2.81Å; A513-Y532 VanDerWaalsContact CA-CD1 3.41Å; A513-Y532 HydrophobicContact CB-CD1 3.84Å; A513-Y532 HydrophobicContact CB-CD2 4.33Å; A513-Y532 HydrophobicContact CB-CG 3.69Å
514	P	95	Very high	81.7	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.019	28%	0.275	C	S	.	.	H	α-helix	trans	-52.8	-39.4	-179.4	-28.7	35	0	0	0	114.2	I517 R518 Y532 V561	P514-I517 PolarHBondContact O-N 2.94Å; P514-R518 WeakPolarHBondContact O-CG 3.33Å; P514-R518 PolarHBondContact O-N 2.88Å; P514-R518 PolarHBondContact O-NH1 2.91Å; P514-Y532 HydrophobicContact CG-CE2 4.22Å; P514-V561 HydrophobicContact CG-CG1 4.06Å
515	E	94.1	Very high	83.8	Confident	7 Å²	7	47 Å²	47	3%	0.033	25%	0.252	C	S	.	.	H	α-helix	trans	-68.3	-32.5	176.8	68.3	-81.3	-168	0	0	113.5	A513 M519 P524 K593 R596	A513-E515 VanDerWaalsContact C-N 3.25Å; A513-E515 VanDerWaalsContact CB-CD 3.46Å; A513-E515 HydrophobicContact CB-CG 4.48Å; A513-E515 VanDerWaalsContact CB-OE1 3.31Å; A513-E515 WeakPolarHBondContact CB-OE1 3.37Å; A513-E515 WeakPolarHBondContact CB-OE2 3.39Å; A513-E515 PolarHBondContact O-N 3.36Å; A513-E515 VanDerWaalsContact O-N 3.16Å; E515-M519 PolarHBondContact O-N 2.82Å; E515-P524 WeakPolarHBondContact O-CB 3.32Å; E515-K593 HydrophobicContact CG-CD 4.17Å; E515-R596 IonicContact OE1-CZ 3.98Å; E515-R596 IonicContact OE1-NH1 2.75Å; E515-R596 PolarHBondContact OE1-NH1 3.4Å; E515-R596 IonicContact OE1-NH2 3.77Å; E515-R596 PolarHBondContact OE1-NH2 3.4Å; E515-R596 IonicContact OE2-CZ 2.88Å; E515-R596 IonicContact OE2-NH1 2.73Å; E515-R596 IonicContact OE2-NH2 3.48Å; E515-R596 PolarHBondContact OE2-NH2 2.78Å
516	V	92.3	Very high	85.9	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.024	25%	0.248	C	C	.	.	H	α-helix	trans	-74.4	-35.6	173.9	-175.3	0	0	0	0	110.2	M512 A513 R518 M519 P524 F525	M512-V516 HydrophobicContact CE-CB 4.4Å; M512-V516 HydrophobicContact CE-CG1 3.58Å; A513-V516 HydrophobicContact CB-CG2 4.1Å; A513-V516 WeakPolarHBondContact O-CA 3.37Å; A513-V516 WeakPolarHBondContact O-CB 3.35Å; A513-V516 PolarHBondContact O-N 2.77Å; V516-R518 VanDerWaalsContact C-N 3.34Å; V516-R518 PolarHBondContact O-N 3.05Å; V516-M519 HydrophobicContact CG1-SD 4.4Å; V516-M519 WeakPolarHBondContact O-CG 3.33Å; V516-P524 HydrophobicContact CG2-CB 4.27Å; V516-F525 HydrophobicContact CG1-CD1 4.18Å; V516-F525 HydrophobicContact CG1-CE1 3.51Å; V516-F525 HydrophobicContact CG1-CE2 4.23Å; V516-F525 HydrophobicContact CG1-CZ 3.53Å; V516-F525 HydrophobicContact CG2-CD1 4.27Å; V516-F525 HydrophobicContact CG2-CE1 4.37Å
517	I	91.7	Very high	88.1	Confident	16 Å²	16	44.1 Å²	44.1	8%	0.082	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-41	173.7	-70	173.5	0	0	0	111.3	M512 A513 P514 I558 V561	M512-I517 HydrophobicContact CB-CD1 4.11Å; M512-I517 HydrophobicContact CB-CG1 3.69Å; M512-I517 HydrophobicContact CE-CG1 4.49Å; A513-I517 PolarHBondContact O-N 2.81Å; P514-I517 PolarHBondContact O-N 2.94Å; I517-I558 HydrophobicContact CG2-CG2 3.67Å; I517-I558 WeakPolarHBondContact CG2-O 3.3Å; I517-V561 HydrophobicContact CD1-CB 3.83Å; I517-V561 HydrophobicContact CD1-CG1 3.62Å
518	R	90.6	Very high	90	Very high	98 Å²	98	45 Å²	45	37%	0.37	23%	0.226	S	C	.	.	H	α-helix	trans	-71.5	-29.1	-178.5	-73.4	-169.1	-58.3	-79.8	-3.1	113.7	P514 V516 Q520 G562	P514-R518 WeakPolarHBondContact O-CG 3.33Å; P514-R518 PolarHBondContact O-N 2.88Å; P514-R518 PolarHBondContact O-NH1 2.91Å; V516-R518 VanDerWaalsContact C-N 3.34Å; V516-R518 PolarHBondContact O-N 3.05Å; R518-Q520 HydrophobicContact CB-CG 4.08Å; R518-Q520 PolarHBondContact O-N 3.47Å; R518-Q520 VanDerWaalsContact O-N 3.09Å; R518-G562 VanDerWaalsContact CD-O 3.27Å; R518-G562 WeakPolarHBondContact CD-O 3.48Å; R518-G562 WeakPolarHBondContact CG-O 3.38Å; R518-G562 PolarHBondContact NH1-O 2.91Å
519	M	85.8	Confident	90.8	Very high	56 Å²	56	43.4 Å²	43.4	28%	0.276	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	31.6	-178	-63.2	-60.8	-55.7	0	0	114.1	E503 E515 V516 P524	E503-M519 HydrophobicContact CB-CE 3.31Å; E503-M519 HydrophobicContact CB-SD 4.47Å; E503-M519 HydrophobicContact CG-CE 4.4Å; E503-M519 WeakPolarHBondContact O-CE 3.23Å; E503-M519 WeakPolarHBondContact OE2-CE 3.22Å; E515-M519 PolarHBondContact O-N 2.82Å; V516-M519 HydrophobicContact CG1-SD 4.4Å; V516-M519 WeakPolarHBondContact O-CG 3.33Å; M519-P524 HydrophobicContact CE-CG 3.75Å; M519-P524 HydrophobicContact SD-CG 3.55Å; M519-P524 VanDerWaalsContact SD-CG 3.55Å
520	Q	87.3	Confident	91.2	Very high	148 Å²	148	42.7 Å²	42.7	69%	0.692	21%	0.21	S	C	*	.			trans	-85.3	-30.2	-177.2	-75.3	172.5	-20.4	0	0	113.1	R518	R518-Q520 HydrophobicContact CB-CG 4.08Å; R518-Q520 PolarHBondContact O-N 3.47Å; R518-Q520 VanDerWaalsContact O-N 3.09Å
521	D	83.1	Confident	91.4	Very high	72 Å²	72	41.1 Å²	41.1	39%	0.385	20%	0.201	S	C	.	.	S	Bend	trans	-80.6	147	176.5	-66.5	-14.7	0	0	0	109.8	N523 P524 K593	D521-N523 PolarHBondContact O-N 3.49Å; D521-N523 VanDerWaalsContact O-N 3.1Å; D521-P524 HydrophobicContact CB-CB 4.48Å; D521-P524 WeakPolarHBondContact O-CD 3.01Å; D521-K593 IonicContact OD2-NZ 3.63Å; D521-K593 PolarHBondContact OD2-NZ 3.11Å
522	N	78.1	Confident	91.5	Very high	178 Å²	178	40.7 Å²	40.7	95%	0.952	20%	0.2	S	C	*	.	S	Bend	trans	-55.3	-30.6	176.7	-72.2	-10.5	0	0	0	113.6
523	N	83.4	Confident	91.7	Very high	83 Å²	83	40 Å²	40	44%	0.444	20%	0.198	S	C	.	.			trans	-143.1	91.7	172.6	177.5	44.6	0	0	0	108.5	D521 F525	D521-N523 PolarHBondContact O-N 3.49Å; D521-N523 VanDerWaalsContact O-N 3.1Å; N523-F525 PolarHBondContact ND2-O 2.83Å; N523-F525 PolarHBondContact O-N 3.04Å
524	P	88.3	Confident	91.9	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.198	C	C	.	.			trans	-73.7	-18.9	-178.2	29.8	-32.1	0	0	0	112	E515 V516 M519 D521 S526	E515-P524 WeakPolarHBondContact O-CB 3.32Å; V516-P524 HydrophobicContact CG2-CB 4.27Å; M519-P524 HydrophobicContact CE-CG 3.75Å; M519-P524 HydrophobicContact SD-CG 3.55Å; M519-P524 VanDerWaalsContact SD-CG 3.55Å; D521-P524 HydrophobicContact CB-CB 4.48Å; D521-P524 WeakPolarHBondContact O-CD 3.01Å; P524-S526 PolarHBondContact O-N 3.41Å
525	F	89.8	Confident	92	Very high	28 Å²	28	39.9 Å²	39.9	12%	0.123	20%	0.197	C	C	.	.			trans	-73.7	120.7	176.2	-64.1	-79	0	0	0	111.5	R467 E503 V516 N523	R467-F525 HydrophobicContact CB-CD1 3.77Å; R467-F525 HydrophobicContact CB-CE1 4.01Å; R467-F525 HydrophobicContact CB-CG 4.43Å; R467-F525 HydrophobicContact CG-CB 4.12Å; R467-F525 HydrophobicContact CG-CD1 3.85Å; R467-F525 HydrophobicContact CG-CG 4.07Å; E503-F525 VanDerWaalsContact OE2-CE2 3.32Å; E503-F525 WeakPolarHBondContact OE2-CE2 3.41Å; V516-F525 HydrophobicContact CG1-CD1 4.18Å; V516-F525 HydrophobicContact CG1-CE1 3.51Å; V516-F525 HydrophobicContact CG1-CE2 4.23Å; V516-F525 HydrophobicContact CG1-CZ 3.53Å; V516-F525 HydrophobicContact CG2-CD1 4.27Å; V516-F525 HydrophobicContact CG2-CE1 4.37Å; N523-F525 PolarHBondContact ND2-O 2.83Å; N523-F525 PolarHBondContact O-N 3.04Å
526	S	92.8	Very high	92.2	Very high	22 Å²	22	39.6 Å²	39.6	15%	0.154	20%	0.195	C	C	.	.			trans	-144.2	170.9	-177.4	59.5	0	0	0	0	110.8	P524 Q528 S529 D530	P524-S526 PolarHBondContact O-N 3.41Å; S526-Q528 PolarHBondContact O-N 2.89Å; S526-Q528 PolarHBondContact OG-N 3.41Å; S526-S529 PolarHBondContact N-OG 3.39Å; S526-S529 PolarHBondContact O-N 2.85Å; S526-S529 PolarHBondContact O-OG 3.41Å; S526-S529 PolarHBondContact OG-N 3.22Å; S526-D530 PolarHBondContact O-N 2.89Å
527	F	95.7	Very high	92.5	Very high	55 Å²	55	39.4 Å²	39.4	24%	0.241	19%	0.194	C	C	.	.	H	α-helix	trans	-54.6	-38	169.5	-62	-29.5	0	0	0	111.6	H460 I465 S529 D530 V531 L598	H460-F527 HydrophobicContact CB-CD1 4.2Å; H460-F527 HydrophobicContact CB-CE1 4.26Å; H460-F527 AromaticContact CD2-CD1 3.66Å; H460-F527 VanDerWaalsContact CE1-CA 3.44Å; H460-F527 WeakPolarHBondContact CE1-CA 3.33Å; H460-F527 AromaticContact CE1-CD1 3.72Å; H460-F527 AromaticContact CE1-CG 3.9Å; H460-F527 PolarHBondContact CE1-O 3.09Å; H460-F527 AromaticContact CG-CD1 3.58Å; H460-F527 AromaticContact CG-CG 4Å; H460-F527 WeakPolarHBondContact ND1-CB 3.12Å; H460-F527 AromaticContact ND1-CD1 3.61Å; H460-F527 AromaticContact ND1-CG 3.61Å; H460-F527 AromaticContact NE2-CD1 3.74Å; I465-F527 HydrophobicContact CG1-CD1 3.77Å; I465-F527 HydrophobicContact CG1-CE1 3.76Å; F527-S529 VanDerWaalsContact C-N 3.31Å; F527-S529 PolarHBondContact O-N 2.96Å; F527-D530 PolarHBondContact O-N 3.36Å; F527-V531 WeakPolarHBondContact O-CG2 3.28Å; F527-V531 PolarHBondContact O-N 3.39Å; F527-L598 HydrophobicContact CB-CD2 4.04Å
528	Q	97	Very high	92.8	Very high	51 Å²	51	38.6 Å²	38.6	24%	0.238	19%	0.19	C	C	.	.	H	α-helix	trans	-68.6	-27.4	178	-65.7	84.9	-9.1	0	0	113.2	S526 V531 Y532 K593 R596 L598	S526-Q528 PolarHBondContact O-N 2.89Å; S526-Q528 PolarHBondContact OG-N 3.41Å; Q528-V531 PolarHBondContact O-N 2.87Å; Q528-Y532 PolarHBondContact O-N 3.42Å; Q528-K593 HydrophobicContact CB-CB 4.04Å; Q528-K593 WeakPolarHBondContact CG-O 3.5Å; Q528-R596 WeakPolarHBondContact O-CD 3.25Å; Q528-R596 PolarHBondContact O-NH1 2.76Å; Q528-L598 HydrophobicContact CG-CD2 4.38Å
529	S	95.3	Very high	93.2	Very high	3 Å²	3	34 Å²	34	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-70.6	-37.3	173.8	71.5	0	0	0	0	112.2	S526 F527 V531 Y532 S533	S526-S529 PolarHBondContact N-OG 3.39Å; S526-S529 PolarHBondContact O-N 2.85Å; S526-S529 PolarHBondContact O-OG 3.41Å; S526-S529 PolarHBondContact OG-N 3.22Å; F527-S529 VanDerWaalsContact C-N 3.31Å; F527-S529 PolarHBondContact O-N 2.96Å; S529-V531 VanDerWaalsContact C-N 3.35Å; S529-Y532 PolarHBondContact O-N 2.86Å; S529-S533 PolarHBondContact O-N 3.43Å; S529-S533 PolarHBondContact O-OG 3.19Å
530	D	96.7	Very high	93.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.6	-38.1	171.3	-76.7	-15.5	0	0	0	111.1	M456 H460 I465 H466 R467 S526 F527 Y532 S533 Y534 F599	M456-D530 HydrophobicContact CE-CB 3.73Å; H460-D530 IonicContact CD2-OD2 2.91Å; H460-D530 IonicContact CE1-OD2 2.8Å; H460-D530 IonicContact NE2-OD2 2.79Å; H460-D530 PolarHBondContact NE2-OD2 3.09Å; I465-D530 WeakPolarHBondContact CA-OD2 3.25Å; I465-D530 WeakPolarHBondContact CG2-OD2 3.37Å; H466-D530 PolarHBondContact N-OD1 3.38Å; H466-D530 PolarHBondContact N-OD2 3.15Å; R467-D530 PolarHBondContact N-OD1 2.85Å; S526-D530 PolarHBondContact O-N 2.89Å; F527-D530 PolarHBondContact O-N 3.36Å; D530-Y532 VanDerWaalsContact C-N 3.34Å; D530-Y532 PolarHBondContact O-N 3.48Å; D530-S533 WeakPolarHBondContact O-CB 3.37Å; D530-S533 PolarHBondContact O-N 3.17Å; D530-Y534 WeakPolarHBondContact O-CB 3.11Å; D530-Y534 PolarHBondContact O-N 3.37Å; D530-F599 HydrophobicContact CB-CE2 4.45Å
531	V	98.4	Very high	94.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.8	-40.7	175.7	168.3	0	0	0	0	111.6	F527 Q528 S529 S533 Y534 G535 C588 R596 P597 F599 I602	F527-V531 WeakPolarHBondContact O-CG2 3.28Å; F527-V531 PolarHBondContact O-N 3.39Å; Q528-V531 PolarHBondContact O-N 2.87Å; S529-V531 VanDerWaalsContact C-N 3.35Å; V531-S533 VanDerWaalsContact C-N 3.35Å; V531-Y534 PolarHBondContact O-N 3.35Å; V531-G535 PolarHBondContact O-N 3.5Å; V531-C588 HydrophobicContact CG1-CB 4.02Å; V531-R596 HydrophobicContact CG1-CB 4Å; V531-P597 WeakPolarHBondContact CG1-O 3.46Å; V531-P597 WeakPolarHBondContact CG2-O 3.46Å; V531-F599 HydrophobicContact CG2-CD2 4Å; V531-F599 HydrophobicContact CG2-CE2 3.73Å; V531-F599 HydrophobicContact CG2-CZ 4.29Å; V531-I602 HydrophobicContact CB-CD1 4.48Å; V531-I602 HydrophobicContact CG1-CD1 3.8Å; V531-I602 HydrophobicContact CG2-CD1 4.01Å
532	Y	98.2	Very high	94.8	Very high	5 Å²	5	20.9 Å²	20.9	2%	0.02	11%	0.109	C	C	.	.	H	α-helix	trans	-61.4	-47.1	174.6	-178.5	-82.9	0	0	0	111.2	W511 M512 A513 P514 Q528 S529 D530 Y534 G535 I536 Y548 C588 V589	W511-Y532 WeakPolarHBondContact O-CD1 3.3Å; M512-Y532 VanDerWaalsContact O-CE1 3.25Å; M512-Y532 WeakPolarHBondContact O-CE1 3.5Å; A513-Y532 VanDerWaalsContact CA-CD1 3.41Å; A513-Y532 HydrophobicContact CB-CD1 3.84Å; A513-Y532 HydrophobicContact CB-CD2 4.33Å; A513-Y532 HydrophobicContact CB-CG 3.69Å; P514-Y532 HydrophobicContact CG-CE2 4.22Å; Q528-Y532 PolarHBondContact O-N 3.42Å; S529-Y532 PolarHBondContact O-N 2.86Å; D530-Y532 VanDerWaalsContact C-N 3.34Å; D530-Y532 PolarHBondContact O-N 3.48Å; Y532-Y534 VanDerWaalsContact C-N 3.28Å; Y532-Y534 PolarHBondContact O-N 3.43Å; Y532-G535 WeakPolarHBondContact O-CA 3.12Å; Y532-G535 PolarHBondContact O-N 3.18Å; Y532-I536 HydrophobicContact CD1-CG1 4.18Å; Y532-I536 HydrophobicContact CE1-CD1 4.1Å; Y532-I536 HydrophobicContact CE1-CG1 3.82Å; Y532-I536 PolarHBondContact O-N 3.08Å; Y532-Y548 PolarHBondContact OH-OH 3.36Å; Y532-C588 WeakPolarHBondContact CA-O 3.34Å; Y532-V589 HydrophobicContact CD2-CB 4.35Å; Y532-V589 HydrophobicContact CE2-CB 4.08Å
533	S	97.3	Very high	95.7	Very high	11 Å²	11	12.9 Å²	12.9	8%	0.077	7%	0.066	C	C	.	.	H	α-helix	trans	-58.5	-42.2	177.5	-52.5	0	0	0	0	111.2	M469 W511 S529 D530 V531 I536 V537	M469-S533 WeakPolarHBondContact O-CB 3.48Å; W511-S533 WeakPolarHBondContact O-CA 3.16Å; W511-S533 PolarHBondContact O-OG 2.81Å; W511-S533 VanDerWaalsContact O-OG 3.04Å; S529-S533 PolarHBondContact O-N 3.43Å; S529-S533 PolarHBondContact O-OG 3.19Å; D530-S533 WeakPolarHBondContact O-CB 3.37Å; D530-S533 PolarHBondContact O-N 3.17Å; V531-S533 VanDerWaalsContact C-N 3.35Å; S533-I536 WeakPolarHBondContact O-CB 3.19Å; S533-I536 PolarHBondContact O-N 2.91Å; S533-V537 PolarHBondContact O-N 3.36Å; S533-V537 VanDerWaalsContact O-N 3.09Å
534	Y	98.5	Very high	96.2	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.1	-37.6	172.1	175.4	-101.2	0	0	0	112.7	A449 T452 A453 M469 D530 V531 Y532 I536 V537 L538 F599 I602 I606	A449-Y534 PolarHBondContact O-OH 2.98Å; T452-Y534 HydrophobicContact CG2-CD2 3.85Å; T452-Y534 HydrophobicContact CG2-CE2 3.7Å; A453-Y534 HydrophobicContact CB-CE2 4.36Å; M469-Y534 HydrophobicContact CE-CD2 4.23Å; D530-Y534 WeakPolarHBondContact O-CB 3.11Å; D530-Y534 PolarHBondContact O-N 3.37Å; V531-Y534 PolarHBondContact O-N 3.35Å; Y532-Y534 VanDerWaalsContact C-N 3.28Å; Y532-Y534 PolarHBondContact O-N 3.43Å; Y534-I536 PolarHBondContact O-N 2.87Å; Y534-V537 CarbonylContact O-C 3.41Å; Y534-V537 WeakPolarHBondContact O-CA 3.47Å; Y534-V537 WeakPolarHBondContact O-CB 3.45Å; Y534-V537 PolarHBondContact O-N 2.97Å; Y534-L538 HydrophobicContact CD1-CD1 4.11Å; Y534-L538 HydrophobicContact CD1-CG 4.15Å; Y534-L538 HydrophobicContact CE1-CD1 3.54Å; Y534-L538 HydrophobicContact CE1-CD2 3.99Å; Y534-L538 HydrophobicContact CE1-CG 3.67Å; Y534-L538 HydrophobicContact CE2-CD2 4.34Å; Y534-L538 HydrophobicContact CE2-CG 4.49Å; Y534-L538 PolarHBondContact O-N 3.49Å; Y534-L538 WeakPolarHBondContact OH-CD2 3.42Å; Y534-F599 AromaticContact CD1-CE1 3.85Å; Y534-F599 HydrophobicContact CD1-CE1 3.85Å; Y534-F599 HydrophobicContact CD1-CZ 4.31Å; Y534-F599 AromaticContact CD2-CE1 3.99Å; Y534-F599 HydrophobicContact CD2-CE1 3.99Å; Y534-F599 HydrophobicContact CD2-CZ 4.4Å; Y534-F599 HydrophobicContact CE1-CE1 4.26Å; Y534-F599 HydrophobicContact CE2-CE1 4.39Å; Y534-F599 AromaticContact CG-CE1 3.7Å; Y534-F599 HydrophobicContact CG-CE1 3.7Å; Y534-F599 AromaticContact CG-CZ 3.91Å; Y534-F599 HydrophobicContact CG-CZ 3.91Å; Y534-I602 HydrophobicContact CD1-CD1 4.34Å; Y534-I602 HydrophobicContact CD1-CG2 4.34Å; Y534-I602 HydrophobicContact CE1-CG2 3.54Å; Y534-I606 WeakPolarHBondContact OH-CD1 3.25Å
535	G	98.3	Very high	96.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.4	-34.7	172.3	0	0	0	0	0	113.1	V531 Y532 L538 Y539	V531-G535 PolarHBondContact O-N 3.5Å; Y532-G535 WeakPolarHBondContact O-CA 3.12Å; Y532-G535 PolarHBondContact O-N 3.18Å; G535-L538 PolarHBondContact O-N 3.04Å; G535-Y539 PolarHBondContact O-N 3.25Å
536	I	98.1	Very high	96.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-70.8	-38.8	171.5	-58.6	-62.2	0	0	0	111.3	W511 Y532 S533 Y534 L538 Y539 E540 P547 P568 V589	W511-I536 VanDerWaalsContact CD1-CG2 3.5Å; W511-I536 HydrophobicContact CD2-CG2 4.42Å; W511-I536 HydrophobicContact CG-CB 4.33Å; W511-I536 HydrophobicContact CG-CG2 4Å; Y532-I536 HydrophobicContact CD1-CG1 4.18Å; Y532-I536 HydrophobicContact CE1-CD1 4.1Å; Y532-I536 HydrophobicContact CE1-CG1 3.82Å; Y532-I536 PolarHBondContact O-N 3.08Å; S533-I536 WeakPolarHBondContact O-CB 3.19Å; S533-I536 PolarHBondContact O-N 2.91Å; Y534-I536 PolarHBondContact O-N 2.87Å; I536-L538 VanDerWaalsContact C-N 3.32Å; I536-L538 PolarHBondContact O-N 3.37Å; I536-Y539 WeakPolarHBondContact O-CA 3.41Å; I536-Y539 VanDerWaalsContact O-CB 3.24Å; I536-Y539 WeakPolarHBondContact O-CB 3.48Å; I536-Y539 PolarHBondContact O-N 3.22Å; I536-Y539 VanDerWaalsContact O-N 3.1Å; I536-E540 WeakPolarHBondContact O-CG 3.22Å; I536-E540 PolarHBondContact O-N 3.03Å; I536-P547 HydrophobicContact CD1-CG 4.49Å; I536-P547 HydrophobicContact CG2-CG 3.89Å; I536-P568 HydrophobicContact CD1-CG 3.43Å; I536-P568 VanDerWaalsContact CD1-CG 3.43Å; I536-V589 HydrophobicContact CD1-CG1 4.12Å
537	V	98.3	Very high	96.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62	-39.9	172.1	174.6	0	0	0	0	111.5	L429 I474 S533 Y534 Y539 E540 L541	L429-V537 HydrophobicContact CD2-CG1 3.95Å; I474-V537 HydrophobicContact CD1-CB 4.48Å; I474-V537 HydrophobicContact CD1-CG1 3.69Å; I474-V537 HydrophobicContact CD1-CG2 4.03Å; S533-V537 PolarHBondContact O-N 3.36Å; S533-V537 VanDerWaalsContact O-N 3.09Å; Y534-V537 CarbonylContact O-C 3.41Å; Y534-V537 WeakPolarHBondContact O-CA 3.47Å; Y534-V537 WeakPolarHBondContact O-CB 3.45Å; Y534-V537 PolarHBondContact O-N 2.97Å; V537-Y539 VanDerWaalsContact C-N 3.3Å; V537-Y539 PolarHBondContact O-N 3.42Å; V537-E540 WeakPolarHBondContact CA-OE2 3.32Å; V537-E540 PolarHBondContact O-N 2.81Å; V537-L541 HydrophobicContact CG1-CD1 4.26Å; V537-L541 WeakPolarHBondContact O-CG 3.19Å; V537-L541 PolarHBondContact O-N 2.81Å
538	L	98.3	Very high	96.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.8	-38.7	172.6	-69.8	-176	0	0	0	111.9	A449 Y534 G535 I536 L541 M542 M581 L584 V585	A449-L538 HydrophobicContact CB-CD2 3.54Å; Y534-L538 HydrophobicContact CD1-CD1 4.11Å; Y534-L538 HydrophobicContact CD1-CG 4.15Å; Y534-L538 HydrophobicContact CE1-CD1 3.54Å; Y534-L538 HydrophobicContact CE1-CD2 3.99Å; Y534-L538 HydrophobicContact CE1-CG 3.67Å; Y534-L538 HydrophobicContact CE2-CD2 4.34Å; Y534-L538 HydrophobicContact CE2-CG 4.49Å; Y534-L538 PolarHBondContact O-N 3.49Å; Y534-L538 WeakPolarHBondContact OH-CD2 3.42Å; G535-L538 PolarHBondContact O-N 3.04Å; I536-L538 VanDerWaalsContact C-N 3.32Å; I536-L538 PolarHBondContact O-N 3.37Å; L538-L541 HydrophobicContact CD2-CD1 4.44Å; L538-L541 PolarHBondContact O-N 2.9Å; L538-M542 WeakPolarHBondContact O-CB 3.18Å; L538-M542 WeakPolarHBondContact O-CG 3.25Å; L538-M542 PolarHBondContact O-N 3.44Å; L538-M581 HydrophobicContact CD1-SD 4.37Å; L538-M581 HydrophobicContact CD2-SD 4.24Å; L538-L584 HydrophobicContact CD1-CD2 4.22Å; L538-L584 HydrophobicContact CD1-CG 4.13Å; L538-V585 HydrophobicContact CB-CG2 3.78Å; L538-V585 HydrophobicContact CD1-CG2 4.27Å
539	Y	97.9	Very high	96.2	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-57.9	-53	173.1	-178.8	-89	0	0	0	110.4	G535 I536 V537 L541 M542 T543 P547 P568 D569 L570 L573	G535-Y539 PolarHBondContact O-N 3.25Å; I536-Y539 WeakPolarHBondContact O-CA 3.41Å; I536-Y539 VanDerWaalsContact O-CB 3.24Å; I536-Y539 WeakPolarHBondContact O-CB 3.48Å; I536-Y539 PolarHBondContact O-N 3.22Å; I536-Y539 VanDerWaalsContact O-N 3.1Å; V537-Y539 VanDerWaalsContact C-N 3.3Å; V537-Y539 PolarHBondContact O-N 3.42Å; Y539-L541 VanDerWaalsContact C-N 3.31Å; Y539-L541 PolarHBondContact O-N 3.23Å; Y539-M542 CarbonylContact O-C 3.56Å; Y539-M542 PolarHBondContact O-N 2.93Å; Y539-T543 HydrophobicContact CD1-CG2 4.18Å; Y539-T543 HydrophobicContact CD2-CG2 4.12Å; Y539-T543 HydrophobicContact CE1-CG2 3.91Å; Y539-T543 HydrophobicContact CE2-CG2 3.84Å; Y539-T543 HydrophobicContact CG-CG2 4.29Å; Y539-T543 WeakPolarHBondContact O-CG2 3.21Å; Y539-T543 PolarHBondContact O-N 3.04Å; Y539-T543 PolarHBondContact O-OG1 3.38Å; Y539-P547 HydrophobicContact CD1-CB 4.1Å; Y539-P547 HydrophobicContact CE1-CB 3.93Å; Y539-P568 HydrophobicContact CD2-CB 3.68Å; Y539-P568 HydrophobicContact CE2-CB 3.75Å; Y539-P568 HydrophobicContact CG-CB 4.24Å; Y539-D569 VanDerWaalsContact CE2-O 3.28Å; Y539-D569 WeakPolarHBondContact CE2-O 3.36Å; Y539-D569 PolarHBondContact OH-O 3.5Å; Y539-L570 HydrophobicContact CD2-CD2 4.22Å; Y539-L573 HydrophobicContact CD2-CD1 4.12Å; Y539-L573 HydrophobicContact CE2-CD1 4.14Å
540	E	97.5	Very high	95.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-55.2	-44.8	177.7	-66.6	173.7	81.7	0	0	112.2	L433 H434 S471 W511 I536 V537 M542 G544 L546	L433-E540 HydrophobicContact CD1-CB 3.96Å; H434-E540 IonicContact CD2-OE1 3.65Å; H434-E540 IonicContact CE1-OE1 3.39Å; H434-E540 IonicContact NE2-OE1 3.23Å; H434-E540 PolarHBondContact NE2-OE1 3.32Å; S471-E540 VanDerWaalsContact CB-OE1 3.3Å; S471-E540 WeakPolarHBondContact CB-OE1 3.39Å; S471-E540 PolarHBondContact OG-OE1 3.14Å; S471-E540 PolarHBondContact OG-OE2 3.28Å; W511-E540 VanDerWaalsContact CE2-OE2 3.31Å; W511-E540 WeakPolarHBondContact CZ2-OE2 3.41Å; W511-E540 PolarHBondContact NE1-OE2 3.14Å; I536-E540 WeakPolarHBondContact O-CG 3.22Å; I536-E540 PolarHBondContact O-N 3.03Å; V537-E540 WeakPolarHBondContact CA-OE2 3.32Å; V537-E540 PolarHBondContact O-N 2.81Å; E540-M542 VanDerWaalsContact C-N 3.3Å; E540-M542 PolarHBondContact O-N 3.1Å; E540-G544 WeakPolarHBondContact O-CA 3.45Å; E540-G544 PolarHBondContact O-N 3.25Å; E540-L546 HydrophobicContact CG-CD2 4.23Å
541	L	97.4	Very high	95.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.8	-36.2	177.5	-73.6	169.2	0	0	0	112.4	L429 L433 L445 I448 A449 V537 L538 Y539	L429-L541 HydrophobicContact CD1-CD2 3.93Å; L429-L541 HydrophobicContact CD2-CD2 4.06Å; L429-L541 HydrophobicContact CD2-CG 4.38Å; L433-L541 HydrophobicContact CD1-CD2 4.22Å; L445-L541 WeakPolarHBondContact CD1-O 3.36Å; L445-L541 HydrophobicContact CD2-CB 4.41Å; L445-L541 HydrophobicContact CD2-CD2 3.76Å; I448-L541 HydrophobicContact CB-CD2 4.47Å; I448-L541 HydrophobicContact CG2-CD1 4.27Å; I448-L541 HydrophobicContact CG2-CD2 4.01Å; A449-L541 HydrophobicContact CB-CD1 3.94Å; V537-L541 HydrophobicContact CG1-CD1 4.26Å; V537-L541 WeakPolarHBondContact O-CG 3.19Å; V537-L541 PolarHBondContact O-N 2.81Å; L538-L541 HydrophobicContact CD2-CD1 4.44Å; L538-L541 PolarHBondContact O-N 2.9Å; Y539-L541 VanDerWaalsContact C-N 3.31Å; Y539-L541 PolarHBondContact O-N 3.23Å
542	M	96.6	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-93.8	-5.3	-173.6	-62.6	-62.6	112.7	0	0	114.1	M442 L445 L538 Y539 E540 L573 Y574 C577 M581	M442-M542 HydrophobicContact CE-SD 4.48Å; M442-M542 HydrophobicContact SD-CE 4.25Å; M442-M542 HydrophobicContact SD-SD 3.96Å; L445-M542 HydrophobicContact CB-CE 3.69Å; L445-M542 HydrophobicContact CD1-CE 4.41Å; L538-M542 WeakPolarHBondContact O-CB 3.18Å; L538-M542 WeakPolarHBondContact O-CG 3.25Å; L538-M542 PolarHBondContact O-N 3.44Å; Y539-M542 CarbonylContact O-C 3.56Å; Y539-M542 PolarHBondContact O-N 2.93Å; E540-M542 VanDerWaalsContact C-N 3.3Å; E540-M542 PolarHBondContact O-N 3.1Å; M542-L573 HydrophobicContact CB-CD2 3.97Å; M542-L573 HydrophobicContact CB-CG 3.76Å; M542-L573 CarbonylContact O-C 3.51Å; M542-L573 WeakPolarHBondContact O-CA 3.41Å; M542-Y574 WeakPolarHBondContact O-CD2 3.22Å; M542-Y574 PolarHBondContact O-N 2.85Å; M542-C577 VanDerWaalsContact SD-SG 3.62Å; M542-M581 HydrophobicContact CE-CG 4.49Å; M542-M581 HydrophobicContact CG-CG 3.9Å; M542-M581 HydrophobicContact SD-CG 3.62Å
543	T	95.2	Very high	94.6	Very high	10 Å²	10	30.7 Å²	30.7	6%	0.061	17%	0.167	C	C	.	.	H	α-helix	trans	-120.9	-27.3	176.7	61	0	0	0	0	113.1	Y539 E545 K572 L573 Y574	Y539-T543 HydrophobicContact CD1-CG2 4.18Å; Y539-T543 HydrophobicContact CD2-CG2 4.12Å; Y539-T543 HydrophobicContact CE1-CG2 3.91Å; Y539-T543 HydrophobicContact CE2-CG2 3.84Å; Y539-T543 HydrophobicContact CG-CG2 4.29Å; Y539-T543 WeakPolarHBondContact O-CG2 3.21Å; Y539-T543 PolarHBondContact O-N 3.04Å; Y539-T543 PolarHBondContact O-OG1 3.38Å; T543-E545 PolarHBondContact O-N 3.29Å; T543-E545 PolarHBondContact OG1-N 3.4Å; T543-E545 PolarHBondContact OG1-O 2.83Å; T543-K572 HydrophobicContact CG2-CB 4.12Å; T543-L573 HydrophobicContact CG2-CD1 3.83Å; T543-L573 HydrophobicContact CG2-CG 4.18Å; T543-Y574 PolarHBondContact O-OH 3.03Å
544	G	94.6	Very high	94.2	Very high	22 Å²	22	36.4 Å²	36.4	23%	0.227	19%	0.187	C	C	.	.	S	Bend	trans	70.3	6.7	-165	0	0	0	0	0	113.6	E540 Y574	E540-G544 WeakPolarHBondContact O-CA 3.45Å; E540-G544 PolarHBondContact O-N 3.25Å; G544-Y574 WeakPolarHBondContact CA-OH 3.27Å; G544-Y574 PolarHBondContact N-OH 3.11Å
545	E	94.2	Very high	93.8	Very high	84 Å²	84	41.8 Å²	41.8	39%	0.393	22%	0.216	S	C	.	.	S	Bend	trans	-125.1	151.9	-174.4	-65.8	-175.1	-178.5	0	0	111.6	T543 K572	T543-E545 PolarHBondContact O-N 3.29Å; T543-E545 PolarHBondContact OG1-N 3.4Å; T543-E545 PolarHBondContact OG1-O 2.83Å; E545-K572 IonicContact OE2-NZ 3.83Å; E545-K572 PolarHBondContact OE2-NZ 2.82Å
546	L	94.4	Very high	93.5	Very high	41 Å²	41	46.3 Å²	46.3	22%	0.215	24%	0.237	C	C	.	.			trans	-73.1	145.8	167.4	-68.5	173.3	0	0	0	111.3	Y430 L510 W511 E540	Y430-L546 HydrophobicContact CE2-CD1 4.14Å; Y430-L546 HydrophobicContact CE2-CD2 4.11Å; L510-L546 HydrophobicContact CD1-CB 4.18Å; L510-L546 HydrophobicContact CD1-CD1 4.14Å; L510-L546 HydrophobicContact CD1-CD2 4.19Å; L510-L546 HydrophobicContact CD1-CG 4.41Å; W511-L546 HydrophobicContact CH2-CD2 3.89Å; W511-L546 HydrophobicContact CZ2-CD2 3.94Å; E540-L546 HydrophobicContact CG-CD2 4.23Å
547	P	93.3	Very high	93.2	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.019	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	157.7	177	32.4	-38.7	0	0	0	111.1	L510 I536 Y539 S549 P568	L510-P547 HydrophobicContact CB-CG 4.07Å; I536-P547 HydrophobicContact CD1-CG 4.49Å; I536-P547 HydrophobicContact CG2-CG 3.89Å; Y539-P547 HydrophobicContact CD1-CB 4.1Å; Y539-P547 HydrophobicContact CE1-CB 3.93Å; P547-S549 PolarHBondContact O-N 3.44Å; P547-P568 HydrophobicContact CB-CB 4.35Å; P547-P568 HydrophobicContact CB-CG 4.5Å
548	Y	93.3	Very high	93	Very high	10 Å²	10	48.6 Å²	48.6	4%	0.039	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	27.3	176.6	-38.1	-63.3	0	0	0	114.4	L510 Y532 H550 I551 I557 V561 A566 P568	L510-Y548 HydrophobicContact CD2-CD2 3.92Å; Y532-Y548 PolarHBondContact OH-OH 3.36Å; Y548-H550 PolarHBondContact O-N 3.32Å; Y548-I551 PolarHBondContact O-N 3.27Å; Y548-I557 HydrophobicContact CD2-CG2 3.8Å; Y548-I557 HydrophobicContact CE2-CG2 4.19Å; Y548-I557 HydrophobicContact CG-CG2 4.32Å; Y548-V561 HydrophobicContact CE1-CG2 4.1Å; Y548-V561 HydrophobicContact CE2-CG2 3.95Å; Y548-A566 HydrophobicContact CD1-CB 4.42Å; Y548-A566 HydrophobicContact CE1-CB 4.05Å; Y548-P568 WeakPolarHBondContact OH-CD 3.3Å
549	S	88.6	Confident	92.7	Very high	65 Å²	65	53.9 Å²	53.9	46%	0.455	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-14	-178.6	72.1	0	0	0	0	115.5	P547 K572	P547-S549 PolarHBondContact O-N 3.44Å; S549-K572 PolarHBondContact OG-NZ 3.04Å
550	H	88.4	Confident	92.5	Very high	137 Å²	137	56.1 Å²	56.1	63%	0.634	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.4	176.2	59.9	-82.4	0	0	0	113.5	Y548	Y548-H550 PolarHBondContact O-N 3.32Å
551	I	90	Very high	92.4	Very high	16 Å²	16	56.2 Å²	56.2	8%	0.082	28%	0.284	C	S	.	.			trans	-112.1	110.2	-178.9	-51.5	179.7	0	0	0	108.8	Y548 Q556 I557 M560	Y548-I551 PolarHBondContact O-N 3.27Å; I551-Q556 HydrophobicContact CG2-CB 4.02Å; I551-Q556 HydrophobicContact CG2-CG 3.95Å; I551-I557 HydrophobicContact CB-CD1 4.28Å; I551-I557 HydrophobicContact CB-CG1 3.91Å; I551-I557 HydrophobicContact CD1-CG1 4.38Å; I551-I557 HydrophobicContact CG2-CD1 4.35Å; I551-I557 HydrophobicContact CG2-CG1 3.65Å; I551-M560 HydrophobicContact CD1-CE 4.29Å; I551-M560 HydrophobicContact CD1-SD 3.85Å
552	N	86.6	Confident	92.1	Very high	162 Å²	162	56.5 Å²	56.5	87%	0.866	29%	0.287	S	S	*	.			trans	-87	-7.7	-176.5	-63.6	-11.1	0	0	0	113.5
553	N	89.6	Confident	92	Very high	82 Å²	82	64.1 Å²	64.1	44%	0.439	32%	0.315	S	S	.	.			trans	-104.8	118.4	-177.9	-174.2	-29.8	0	0	0	111.5	D555 Q556 I557	N553-D555 PolarHBondContact O-N 2.84Å; N553-D555 PolarHBondContact OD1-N 3.15Å; N553-Q556 HydrophobicContact CB-CB 3.86Å; N553-Q556 WeakPolarHBondContact O-CB 3.5Å; N553-Q556 PolarHBondContact O-N 3.21Å; N553-Q556 PolarHBondContact OD1-N 3.44Å; N553-I557 PolarHBondContact O-N 2.74Å; N553-I557 VanDerWaalsContact O-N 3.14Å
554	R	88.5	Confident	91.7	Very high	131 Å²	131	64.5 Å²	64.5	49%	0.494	32%	0.321	S	S	.	.	H	α-helix	trans	-57.9	-45.6	178.2	178.8	-178.8	169.5	177.6	-2.2	112.8	P505 V509 Q556 I557 I558	P505-R554 PolarHBondContact O-NH2 3.22Å; V509-R554 HydrophobicContact CG2-CG 4.01Å; V509-R554 VanDerWaalsContact CG2-NE 3.27Å; R554-Q556 VanDerWaalsContact C-N 3.26Å; R554-Q556 PolarHBondContact O-N 2.93Å; R554-I557 WeakPolarHBondContact O-CB 3.29Å; R554-I557 PolarHBondContact O-N 3.37Å; R554-I557 VanDerWaalsContact O-N 3.16Å; R554-I558 HydrophobicContact CG-CD1 4.1Å; R554-I558 WeakPolarHBondContact O-CG1 3.28Å; R554-I558 PolarHBondContact O-N 3.09Å
555	D	90.8	Very high	91.6	Very high	112 Å²	112	70.8 Å²	70.8	60%	0.599	34%	0.339	S	S	*	.	H	α-helix	trans	-68.1	-32	-177.4	-64.8	-29.1	0	0	0	111.4	N553 I558 F559	N553-D555 PolarHBondContact O-N 2.84Å; N553-D555 PolarHBondContact OD1-N 3.15Å; D555-I558 PolarHBondContact O-N 2.98Å; D555-F559 VanDerWaalsContact O-CB 3.32Å; D555-F559 WeakPolarHBondContact O-CB 3.29Å; D555-F559 PolarHBondContact O-N 3.47Å
556	Q	92.8	Very high	91.4	Very high	95 Å²	95	67.4 Å²	67.4	44%	0.444	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-43.6	172.1	-173	177.3	10.3	0	0	111.2	I551 N553 R554 F559 M560	I551-Q556 HydrophobicContact CG2-CB 4.02Å; I551-Q556 HydrophobicContact CG2-CG 3.95Å; N553-Q556 HydrophobicContact CB-CB 3.86Å; N553-Q556 WeakPolarHBondContact O-CB 3.5Å; N553-Q556 PolarHBondContact O-N 3.21Å; N553-Q556 PolarHBondContact OD1-N 3.44Å; R554-Q556 VanDerWaalsContact C-N 3.26Å; R554-Q556 PolarHBondContact O-N 2.93Å; Q556-F559 PolarHBondContact O-N 2.92Å; Q556-M560 HydrophobicContact CG-CG 4.26Å; Q556-M560 HydrophobicContact CG-SD 3.7Å; Q556-M560 WeakPolarHBondContact O-CB 3.35Å; Q556-M560 VanDerWaalsContact O-CG 3.22Å; Q556-M560 WeakPolarHBondContact O-CG 3.48Å; Q556-M560 PolarHBondContact O-N 3.05Å
557	I	91.8	Very high	91.3	Very high	13 Å²	13	67.1 Å²	67.1	7%	0.067	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-48.7	174.4	-63.2	171.6	0	0	0	110.3	V509 L510 Y548 I551 N553 R554 F559 M560 V561	V509-I557 HydrophobicContact CG1-CG2 4.04Å; L510-I557 HydrophobicContact CD2-CD1 4.03Å; L510-I557 HydrophobicContact CD2-CG2 4.49Å; Y548-I557 HydrophobicContact CD2-CG2 3.8Å; Y548-I557 HydrophobicContact CE2-CG2 4.19Å; Y548-I557 HydrophobicContact CG-CG2 4.32Å; I551-I557 HydrophobicContact CB-CD1 4.28Å; I551-I557 HydrophobicContact CB-CG1 3.91Å; I551-I557 HydrophobicContact CD1-CG1 4.38Å; I551-I557 HydrophobicContact CG2-CD1 4.35Å; I551-I557 HydrophobicContact CG2-CG1 3.65Å; N553-I557 PolarHBondContact O-N 2.74Å; N553-I557 VanDerWaalsContact O-N 3.14Å; R554-I557 WeakPolarHBondContact O-CB 3.29Å; R554-I557 PolarHBondContact O-N 3.37Å; R554-I557 VanDerWaalsContact O-N 3.16Å; I557-F559 VanDerWaalsContact C-N 3.32Å; I557-F559 PolarHBondContact O-N 3.46Å; I557-M560 PolarHBondContact O-N 2.75Å; I557-V561 HydrophobicContact CG2-CG2 3.96Å; I557-V561 WeakPolarHBondContact O-CB 3.17Å; I557-V561 VanDerWaalsContact O-CG2 3.28Å; I557-V561 WeakPolarHBondContact O-CG2 3.27Å; I557-V561 PolarHBondContact O-N 2.96Å
558	I	92.3	Very high	91.3	Very high	35 Å²	35	67 Å²	67	18%	0.179	33%	0.326	C	S	.	.	H	α-helix	trans	-53.6	-51.7	176.9	-68.3	173.9	0	0	0	109.9	V509 I517 R554 D555 G562	V509-I558 HydrophobicContact CB-CG1 4.41Å; V509-I558 HydrophobicContact CG1-CD1 4.43Å; V509-I558 HydrophobicContact CG1-CG1 3.52Å; V509-I558 HydrophobicContact CG2-CD1 3.94Å; V509-I558 HydrophobicContact CG2-CG1 3.93Å; I517-I558 HydrophobicContact CG2-CG2 3.67Å; I517-I558 WeakPolarHBondContact CG2-O 3.3Å; R554-I558 HydrophobicContact CG-CD1 4.1Å; R554-I558 WeakPolarHBondContact O-CG1 3.28Å; R554-I558 PolarHBondContact O-N 3.09Å; D555-I558 PolarHBondContact O-N 2.98Å; I558-G562 WeakPolarHBondContact O-CA 3.01Å; I558-G562 PolarHBondContact O-N 2.79Å
559	F	92.9	Very high	91.2	Very high	112 Å²	112	67.8 Å²	67.8	49%	0.491	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-50.8	-179	179.5	-97.6	0	0	0	112.1	D555 Q556 I557 R563 Y565	D555-F559 VanDerWaalsContact O-CB 3.32Å; D555-F559 WeakPolarHBondContact O-CB 3.29Å; D555-F559 PolarHBondContact O-N 3.47Å; Q556-F559 PolarHBondContact O-N 2.92Å; I557-F559 VanDerWaalsContact C-N 3.32Å; I557-F559 PolarHBondContact O-N 3.46Å; F559-R563 HydrophobicContact CD2-CG 4.3Å; F559-R563 HydrophobicContact CE1-CG 4.4Å; F559-R563 HydrophobicContact CE2-CG 4.04Å; F559-R563 HydrophobicContact CZ-CG 4.09Å; F559-R563 VanDerWaalsContact O-CB 3.29Å; F559-R563 WeakPolarHBondContact O-CB 3.37Å; F559-R563 VanDerWaalsContact O-CG 3.28Å; F559-R563 WeakPolarHBondContact O-CG 3.38Å; F559-R563 PolarHBondContact O-N 3.23Å; F559-Y565 HydrophobicContact CE1-CD2 4.27Å; F559-Y565 HydrophobicContact CE1-CE2 4.09Å; F559-Y565 HydrophobicContact CZ-CE2 4.46Å
560	M	94.3	Very high	91.4	Very high	48 Å²	48	65.1 Å²	65.1	24%	0.236	31%	0.311	C	S	.	.	H	α-helix	trans	-67.2	-42.2	-175.8	-69.1	178.3	71.8	0	0	112.3	I551 Q556 I557 G564 Y565 A566	I551-M560 HydrophobicContact CD1-CE 4.29Å; I551-M560 HydrophobicContact CD1-SD 3.85Å; Q556-M560 HydrophobicContact CG-CG 4.26Å; Q556-M560 HydrophobicContact CG-SD 3.7Å; Q556-M560 WeakPolarHBondContact O-CB 3.35Å; Q556-M560 VanDerWaalsContact O-CG 3.22Å; Q556-M560 WeakPolarHBondContact O-CG 3.48Å; Q556-M560 PolarHBondContact O-N 3.05Å; I557-M560 PolarHBondContact O-N 2.75Å; M560-G564 CarbonylContact O-C 3.35Å; M560-G564 PolarHBondContact O-N 3.13Å; M560-G564 VanDerWaalsContact O-N 3.13Å; M560-Y565 WeakPolarHBondContact O-CA 3.39Å; M560-Y565 PolarHBondContact O-N 2.66Å; M560-A566 HydrophobicContact CB-CB 3.71Å; M560-A566 HydrophobicContact CE-CB 4.36Å; M560-A566 PolarHBondContact O-N 2.88Å; M560-A566 VanDerWaalsContact O-N 3.08Å
561	V	93.9	Very high	91.5	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-70.8	-45	177.7	179.4	0	0	0	0	110.3	P514 I517 Y548 I557 R563 G564 A566	P514-V561 HydrophobicContact CG-CG1 4.06Å; I517-V561 HydrophobicContact CD1-CB 3.83Å; I517-V561 HydrophobicContact CD1-CG1 3.62Å; Y548-V561 HydrophobicContact CE1-CG2 4.1Å; Y548-V561 HydrophobicContact CE2-CG2 3.95Å; I557-V561 HydrophobicContact CG2-CG2 3.96Å; I557-V561 WeakPolarHBondContact O-CB 3.17Å; I557-V561 VanDerWaalsContact O-CG2 3.28Å; I557-V561 WeakPolarHBondContact O-CG2 3.27Å; I557-V561 PolarHBondContact O-N 2.96Å; V561-R563 VanDerWaalsContact C-N 3.32Å; V561-R563 PolarHBondContact O-N 2.99Å; V561-G564 PolarHBondContact O-N 3.36Å; V561-A566 HydrophobicContact CG2-CB 3.92Å
562	G	92.8	Very high	91.6	Very high	6 Å²	6	62.1 Å²	62.1	6%	0.062	30%	0.298	C	S	.	.	H	α-helix	trans	-60.8	-37.9	179.4	0	0	0	0	0	113.3	R518 I558 G564	R518-G562 VanDerWaalsContact CD-O 3.27Å; R518-G562 WeakPolarHBondContact CD-O 3.48Å; R518-G562 WeakPolarHBondContact CG-O 3.38Å; R518-G562 PolarHBondContact NH1-O 2.91Å; I558-G562 WeakPolarHBondContact O-CA 3.01Å; I558-G562 PolarHBondContact O-N 2.79Å; G562-G564 VanDerWaalsContact C-N 3.32Å
563	R	93.3	Very high	91.8	Very high	160 Å²	160	55 Å²	55	60%	0.604	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-10.2	173.5	-68.2	-64.3	-173.1	124.4	-3	114	F559 V561 Y565	F559-R563 HydrophobicContact CD2-CG 4.3Å; F559-R563 HydrophobicContact CE1-CG 4.4Å; F559-R563 HydrophobicContact CE2-CG 4.04Å; F559-R563 HydrophobicContact CZ-CG 4.09Å; F559-R563 VanDerWaalsContact O-CB 3.29Å; F559-R563 WeakPolarHBondContact O-CB 3.37Å; F559-R563 VanDerWaalsContact O-CG 3.28Å; F559-R563 WeakPolarHBondContact O-CG 3.38Å; F559-R563 PolarHBondContact O-N 3.23Å; V561-R563 VanDerWaalsContact C-N 3.32Å; V561-R563 PolarHBondContact O-N 2.99Å; R563-Y565 HydrophobicContact CB-CD2 3.66Å; R563-Y565 HydrophobicContact CB-CE1 4.47Å; R563-Y565 HydrophobicContact CB-CE2 3.56Å; R563-Y565 HydrophobicContact CB-CG 4.17Å; R563-Y565 HydrophobicContact CG-CD2 4.43Å; R563-Y565 HydrophobicContact CG-CE2 4.02Å
564	G	89.9	Confident	92	Very high	17 Å²	17	55.7 Å²	55.7	18%	0.175	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	20.1	-177.4	0	0	0	0	0	114.2	M560 V561 G562 K591	M560-G564 CarbonylContact O-C 3.35Å; M560-G564 PolarHBondContact O-N 3.13Å; M560-G564 VanDerWaalsContact O-N 3.13Å; V561-G564 PolarHBondContact O-N 3.36Å; G562-G564 VanDerWaalsContact C-N 3.32Å; G564-K591 WeakPolarHBondContact O-CE 3.25Å; G564-K591 PolarHBondContact O-NZ 2.82Å
565	Y	91.3	Very high	92	Very high	155 Å²	155	60 Å²	60	61%	0.608	28%	0.279	S	S	*	.			trans	-80	-28.4	172.4	-57.8	-36.3	0	0	0	112.7	F559 M560 R563	F559-Y565 HydrophobicContact CE1-CD2 4.27Å; F559-Y565 HydrophobicContact CE1-CE2 4.09Å; F559-Y565 HydrophobicContact CZ-CE2 4.46Å; M560-Y565 WeakPolarHBondContact O-CA 3.39Å; M560-Y565 PolarHBondContact O-N 2.66Å; R563-Y565 HydrophobicContact CB-CD2 3.66Å; R563-Y565 HydrophobicContact CB-CE1 4.47Å; R563-Y565 HydrophobicContact CB-CE2 3.56Å; R563-Y565 HydrophobicContact CB-CG 4.17Å; R563-Y565 HydrophobicContact CG-CD2 4.43Å; R563-Y565 HydrophobicContact CG-CE2 4.02Å
566	A	90.4	Very high	91.8	Very high	12 Å²	12	59.9 Å²	59.9	10%	0.099	28%	0.279	C	S	.	.			trans	-106.3	153.1	177	0	0	0	0	0	112.5	Y548 M560 V561	Y548-A566 HydrophobicContact CD1-CB 4.42Å; Y548-A566 HydrophobicContact CE1-CB 4.05Å; M560-A566 HydrophobicContact CB-CB 3.71Å; M560-A566 HydrophobicContact CE-CB 4.36Å; M560-A566 PolarHBondContact O-N 2.88Å; M560-A566 VanDerWaalsContact O-N 3.08Å; V561-A566 HydrophobicContact CG2-CB 3.92Å
567	S	92.2	Very high	91.6	Very high	35 Å²	35	56.1 Å²	56.1	25%	0.245	26%	0.263	C	S	.	.			trans	-153	153.9	169.9	-52.8	0	0	0	0	108.2	D569 K591	S567-D569 PolarHBondContact O-N 3.09Å; S567-K591 WeakPolarHBondContact OG-CE 3.31Å
568	P	92.9	Very high	91.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.266	C	S	.	.			trans	-56.8	136.3	177.1	-24.2	34.3	0	0	0	111.3	I536 Y539 P547 Y548 L570 V589	I536-P568 HydrophobicContact CD1-CG 3.43Å; I536-P568 VanDerWaalsContact CD1-CG 3.43Å; Y539-P568 HydrophobicContact CD2-CB 3.68Å; Y539-P568 HydrophobicContact CE2-CB 3.75Å; Y539-P568 HydrophobicContact CG-CB 4.24Å; P547-P568 HydrophobicContact CB-CB 4.35Å; P547-P568 HydrophobicContact CB-CG 4.5Å; Y548-P568 WeakPolarHBondContact OH-CD 3.3Å; P568-L570 PolarHBondContact O-N 3.42Å; P568-L570 VanDerWaalsContact O-N 3.13Å; P568-V589 HydrophobicContact CG-CB 4.47Å; P568-V589 HydrophobicContact CG-CG1 4.41Å; P568-V589 HydrophobicContact CG-CG2 4.47Å
569	D	92	Very high	91	Very high	28 Å²	28	60.2 Å²	60.2	15%	0.15	28%	0.281	C	S	.	.			trans	-79.7	99.1	-178.3	-179.7	11.3	0	0	0	111	L195 Y539 S567 S571 K572	L195-D569 WeakPolarHBondContact CD1-OD1 3.47Å; Y539-D569 VanDerWaalsContact CE2-O 3.28Å; Y539-D569 WeakPolarHBondContact CE2-O 3.36Å; Y539-D569 PolarHBondContact OH-O 3.5Å; S567-D569 PolarHBondContact O-N 3.09Å; D569-S571 PolarHBondContact O-N 3.15Å; D569-S571 VanDerWaalsContact O-N 3.15Å; D569-S571 WeakPolarHBondContact OD1-CB 2.94Å; D569-S571 PolarHBondContact OD1-N 3.04Å; D569-S571 PolarHBondContact OD1-OG 3.47Å; D569-S571 PolarHBondContact OD2-OG 3.3Å; D569-K572 PolarHBondContact O-N 3.42Å
570	L	92.5	Very high	90.7	Very high	9 Å²	9	57.5 Å²	57.5	5%	0.047	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-71.2	-3.1	-179.2	-53.3	-178.1	0	0	0	113.9	Y539 P568 K572 L573 K582 V585 A586	Y539-L570 HydrophobicContact CD2-CD2 4.22Å; P568-L570 PolarHBondContact O-N 3.42Å; P568-L570 VanDerWaalsContact O-N 3.13Å; L570-K572 VanDerWaalsContact C-N 3.25Å; L570-L573 HydrophobicContact CB-CD1 4.22Å; L570-L573 HydrophobicContact CD2-CD1 4.07Å; L570-K582 WeakPolarHBondContact O-CE 3.32Å; L570-K582 PolarHBondContact O-NZ 3.12Å; L570-V585 HydrophobicContact CD2-CB 4.45Å; L570-V585 HydrophobicContact CD2-CG1 3.78Å; L570-A586 HydrophobicContact CD1-CB 3.55Å
571	S	90.1	Very high	90.6	Very high	17 Å²	17	55.2 Å²	55.2	12%	0.119	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-69.7	-26.2	173.1	85	0	0	0	0	112.2	D569 L573	D569-S571 PolarHBondContact O-N 3.15Å; D569-S571 VanDerWaalsContact O-N 3.15Å; D569-S571 WeakPolarHBondContact OD1-CB 2.94Å; D569-S571 PolarHBondContact OD1-N 3.04Å; D569-S571 PolarHBondContact OD1-OG 3.47Å; D569-S571 PolarHBondContact OD2-OG 3.3Å; S571-L573 PolarHBondContact O-N 3.17Å
572	K	92.2	Very high	90.5	Very high	72 Å²	72	56.2 Å²	56.2	31%	0.313	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-80.2	-8	-176.7	-67.3	-173.3	157.4	-151.4	0	115.3	T543 E545 S549 D569 L570	T543-K572 HydrophobicContact CG2-CB 4.12Å; E545-K572 IonicContact OE2-NZ 3.83Å; E545-K572 PolarHBondContact OE2-NZ 2.82Å; S549-K572 PolarHBondContact OG-NZ 3.04Å; D569-K572 PolarHBondContact O-N 3.42Å; L570-K572 VanDerWaalsContact C-N 3.25Å
573	L	92.3	Very high	90.3	Very high	13 Å²	13	59 Å²	59	7%	0.068	28%	0.281	C	S	.	.	S	Bend	trans	-61.1	146.9	178.4	-84.9	68.7	0	0	0	110.3	Y539 M542 T543 L570 S571 K575 C577 K582 V585	Y539-L573 HydrophobicContact CD2-CD1 4.12Å; Y539-L573 HydrophobicContact CE2-CD1 4.14Å; M542-L573 HydrophobicContact CB-CD2 3.97Å; M542-L573 HydrophobicContact CB-CG 3.76Å; M542-L573 CarbonylContact O-C 3.51Å; M542-L573 WeakPolarHBondContact O-CA 3.41Å; T543-L573 HydrophobicContact CG2-CD1 3.83Å; T543-L573 HydrophobicContact CG2-CG 4.18Å; L570-L573 HydrophobicContact CB-CD1 4.22Å; L570-L573 HydrophobicContact CD2-CD1 4.07Å; S571-L573 PolarHBondContact O-N 3.17Å; L573-K575 PolarHBondContact O-N 2.91Å; L573-C577 HydrophobicContact CB-CB 4.46Å; L573-K582 HydrophobicContact CD2-CB 4.03Å; L573-K582 HydrophobicContact CD2-CD 4.4Å; L573-K582 HydrophobicContact CD2-CG 3.99Å; L573-V585 HydrophobicContact CD2-CG2 4.38Å
574	Y	92.5	Very high	90.3	Very high	96 Å²	96	51.8 Å²	51.8	38%	0.376	25%	0.254	S	S	.	.			trans	-52.2	140.7	178.1	-61.6	-54.2	0	0	0	111.8	M442 L445 M542 T543 G544 N576 C577	M442-Y574 HydrophobicContact CE-CD2 4.11Å; L445-Y574 HydrophobicContact CD1-CE2 4.12Å; M542-Y574 WeakPolarHBondContact O-CD2 3.22Å; M542-Y574 PolarHBondContact O-N 2.85Å; T543-Y574 PolarHBondContact O-OH 3.03Å; G544-Y574 WeakPolarHBondContact CA-OH 3.27Å; G544-Y574 PolarHBondContact N-OH 3.11Å; Y574-N576 WeakPolarHBondContact CB-OD1 3.47Å; Y574-N576 PolarHBondContact O-N 3.41Å; Y574-N576 VanDerWaalsContact O-N 3.17Å; Y574-C577 WeakPolarHBondContact O-CB 3.17Å; Y574-C577 PolarHBondContact O-N 2.92Å
575	K	89.4	Confident	90.6	Very high	222 Å²	222	51 Å²	51	97%	0.965	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.1	-179.2	-64.2	-177.3	-178.7	178.8	0	113	L573 C577	L573-K575 PolarHBondContact O-N 2.91Å; K575-C577 VanDerWaalsContact C-N 3.34Å
576	N	86.7	Confident	90.7	Very high	109 Å²	109	45.2 Å²	45.2	58%	0.583	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	4.1	176.2	67.3	-14.6	0	0	0	113.5	M442 Y574 P578	M442-N576 WeakPolarHBondContact CE-OD1 3.48Å; Y574-N576 WeakPolarHBondContact CB-OD1 3.47Å; Y574-N576 PolarHBondContact O-N 3.41Å; Y574-N576 VanDerWaalsContact O-N 3.17Å; N576-P578 WeakPolarHBondContact O-CD 3.38Å
577	C	88.4	Confident	90.9	Very high	16 Å²	16	46.1 Å²	46.1	11%	0.108	23%	0.233	C	C	.	.	S	Bend	trans	-63.9	124.9	175.6	-177.9	0	0	0	0	109.8	M442 M542 L573 Y574 K575 K579	M442-C577 HydrophobicContact CE-CB 4.36Å; M542-C577 VanDerWaalsContact SD-SG 3.62Å; L573-C577 HydrophobicContact CB-CB 4.46Å; Y574-C577 WeakPolarHBondContact O-CB 3.17Å; Y574-C577 PolarHBondContact O-N 2.92Å; K575-C577 VanDerWaalsContact C-N 3.34Å; C577-K579 PolarHBondContact O-N 3.15Å
578	P	88.1	Confident	91.2	Very high	22 Å²	22	44.5 Å²	44.5	14%	0.143	22%	0.222	C	C	.	.			trans	-59.3	137.4	178.1	-24.8	34.2	0	0	0	112.1	I446 N576 A580 M581 K582 L609 L613	I446-P578 HydrophobicContact CD1-CG 3.99Å; N576-P578 WeakPolarHBondContact O-CD 3.38Å; P578-A580 PolarHBondContact O-N 3.19Å; P578-A580 VanDerWaalsContact O-N 3.1Å; P578-M581 HydrophobicContact CB-CB 4.42Å; P578-M581 WeakPolarHBondContact O-CA 3.2Å; P578-M581 WeakPolarHBondContact O-CB 3.35Å; P578-M581 PolarHBondContact O-N 2.86Å; P578-K582 PolarHBondContact O-N 3.14Å; P578-K582 VanDerWaalsContact O-N 3.07Å; P578-L609 HydrophobicContact CB-CD1 3.37Å; P578-L609 HydrophobicContact CB-CD2 4.14Å; P578-L609 HydrophobicContact CB-CG 4.35Å; P578-L609 HydrophobicContact CG-CD1 3.85Å; P578-L609 HydrophobicContact CG-CD2 4.22Å; P578-L609 HydrophobicContact CG-CG 4.49Å; P578-L613 HydrophobicContact CG-CD2 3.79Å
579	K	83.7	Confident	91.3	Very high	112 Å²	112	45.1 Å²	45.1	49%	0.487	23%	0.225	S	C	.	.	H	α-helix	trans	-54.1	-36.5	-179.4	-62.1	-168.5	-177.4	-165.7	0	113.1	D186 C577 M581 K582 R583	D186-K579 IonicContact OD2-NZ 2.98Å; D186-K579 PolarHBondContact OD2-NZ 3.07Å; C577-K579 PolarHBondContact O-N 3.15Å; K579-M581 VanDerWaalsContact C-N 3.35Å; K579-K582 PolarHBondContact O-N 2.95Å; K579-R583 PolarHBondContact O-N 3.34Å
580	A	86	Confident	91.4	Very high	55 Å²	55	46.8 Å²	46.8	46%	0.455	23%	0.231	S	C	.	.	H	α-helix	trans	-66	-35.8	176.6	0	0	0	0	0	112.6	P578 L584 L609	P578-A580 PolarHBondContact O-N 3.19Å; P578-A580 VanDerWaalsContact O-N 3.1Å; A580-L584 WeakPolarHBondContact O-CB 3.17Å; A580-L584 PolarHBondContact O-N 2.77Å; A580-L609 HydrophobicContact CB-CD1 4.24Å
581	M	92	Very high	91.5	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-67.5	-47.7	173.6	-177.1	56.3	80.8	0	0	110.7	I446 A449 L538 M542 P578 K579 R583 L584 V585 I606 L609	I446-M581 HydrophobicContact CG1-CE 4.03Å; A449-M581 HydrophobicContact CB-CE 4.35Å; L538-M581 HydrophobicContact CD1-SD 4.37Å; L538-M581 HydrophobicContact CD2-SD 4.24Å; M542-M581 HydrophobicContact CE-CG 4.49Å; M542-M581 HydrophobicContact CG-CG 3.9Å; M542-M581 HydrophobicContact SD-CG 3.62Å; P578-M581 HydrophobicContact CB-CB 4.42Å; P578-M581 WeakPolarHBondContact O-CA 3.2Å; P578-M581 WeakPolarHBondContact O-CB 3.35Å; P578-M581 PolarHBondContact O-N 2.86Å; K579-M581 VanDerWaalsContact C-N 3.35Å; M581-R583 VanDerWaalsContact C-N 3.25Å; M581-R583 PolarHBondContact O-N 2.97Å; M581-L584 WeakPolarHBondContact O-CA 3.42Å; M581-L584 WeakPolarHBondContact O-CB 3.48Å; M581-L584 PolarHBondContact O-N 3.04Å; M581-L584 HydrophobicContact SD-CD2 4.21Å; M581-V585 WeakPolarHBondContact O-CG2 3.49Å; M581-V585 PolarHBondContact O-N 3.27Å; M581-I606 HydrophobicContact CE-CG1 4.41Å; M581-L609 HydrophobicContact CB-CD2 3.78Å; M581-L609 HydrophobicContact CE-CD2 3.91Å
582	K	91.6	Very high	91.6	Very high	24 Å²	24	53.5 Å²	53.5	10%	0.104	26%	0.264	C	S	.	.	H	α-helix	trans	-54.5	-42.7	176.3	179.6	162.2	-171.6	168.7	0	112.4	S188 L570 L573 P578 K579 V585 A586	S188-K582 VanDerWaalsContact CA-CE 3.49Å; S188-K582 PolarHBondContact O-NZ 3.02Å; L570-K582 WeakPolarHBondContact O-CE 3.32Å; L570-K582 PolarHBondContact O-NZ 3.12Å; L573-K582 HydrophobicContact CD2-CB 4.03Å; L573-K582 HydrophobicContact CD2-CD 4.4Å; L573-K582 HydrophobicContact CD2-CG 3.99Å; P578-K582 PolarHBondContact O-N 3.14Å; P578-K582 VanDerWaalsContact O-N 3.07Å; K579-K582 PolarHBondContact O-N 2.95Å; K582-V585 PolarHBondContact O-N 2.87Å; K582-A586 PolarHBondContact O-N 3.09Å; K582-A586 VanDerWaalsContact O-N 3.14Å
583	R	89.2	Confident	91.7	Very high	64 Å²	64	52.5 Å²	52.5	24%	0.242	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-43.8	174.3	-178.8	-178.3	166.5	-177.7	2.4	112.2	D153 Y170 K579 M581 V585 A586 D587	D153-R583 IonicContact OD1-NH2 2.72Å; D153-R583 IonicContact OD2-CZ 3.81Å; D153-R583 VanDerWaalsContact OD2-CZ 3.23Å; D153-R583 IonicContact OD2-NH1 3.87Å; D153-R583 PolarHBondContact OD2-NH1 3.19Å; D153-R583 IonicContact OD2-NH2 3.72Å; D153-R583 PolarHBondContact OD2-NH2 3.35Å; Y170-R583 VanDerWaalsContact CD2-CZ 3.42Å; Y170-R583 VanDerWaalsContact CD2-NH2 3.28Å; K579-R583 PolarHBondContact O-N 3.34Å; M581-R583 VanDerWaalsContact C-N 3.25Å; M581-R583 PolarHBondContact O-N 2.97Å; R583-V585 VanDerWaalsContact C-N 3.32Å; R583-V585 PolarHBondContact O-N 2.94Å; R583-A586 WeakPolarHBondContact O-CB 3.47Å; R583-A586 PolarHBondContact O-N 2.96Å; R583-A586 VanDerWaalsContact O-N 3.15Å; R583-D587 IonicContact NE-OD2 2.81Å; R583-D587 PolarHBondContact NE-OD2 3.19Å; R583-D587 PolarHBondContact O-N 2.83Å
584	L	93.3	Very high	91.7	Very high	9 Å²	9	58 Å²	58	5%	0.047	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-42	177.8	-178.2	62.8	0	0	0	111.8	L538 A580 M581 A586 D587 C588 I602 I606	L538-L584 HydrophobicContact CD1-CD2 4.22Å; L538-L584 HydrophobicContact CD1-CG 4.13Å; A580-L584 WeakPolarHBondContact O-CB 3.17Å; A580-L584 PolarHBondContact O-N 2.77Å; M581-L584 WeakPolarHBondContact O-CA 3.42Å; M581-L584 WeakPolarHBondContact O-CB 3.48Å; M581-L584 PolarHBondContact O-N 3.04Å; M581-L584 HydrophobicContact SD-CD2 4.21Å; L584-A586 VanDerWaalsContact C-N 3.34Å; L584-A586 PolarHBondContact O-N 2.72Å; L584-D587 PolarHBondContact O-N 2.95Å; L584-C588 PolarHBondContact O-N 2.99Å; L584-C588 PolarHBondContact O-SG 3.45Å; L584-I602 HydrophobicContact CD1-CB 4.46Å; L584-I602 HydrophobicContact CD1-CG1 4.22Å; L584-I602 HydrophobicContact CD1-CG2 4.3Å; L584-I602 HydrophobicContact CD2-CG2 4.22Å; L584-I606 HydrophobicContact CD2-CD1 3.87Å; L584-I606 HydrophobicContact CD2-CG1 3.37Å
585	V	96.2	Very high	91.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.1	-50	173.1	-175.5	0	0	0	0	110	L538 L570 L573 M581 K582 R583 D587 C588 V589	L538-V585 HydrophobicContact CB-CG2 3.78Å; L538-V585 HydrophobicContact CD1-CG2 4.27Å; L570-V585 HydrophobicContact CD2-CB 4.45Å; L570-V585 HydrophobicContact CD2-CG1 3.78Å; L573-V585 HydrophobicContact CD2-CG2 4.38Å; M581-V585 WeakPolarHBondContact O-CG2 3.49Å; M581-V585 PolarHBondContact O-N 3.27Å; K582-V585 PolarHBondContact O-N 2.87Å; R583-V585 VanDerWaalsContact C-N 3.32Å; R583-V585 PolarHBondContact O-N 2.94Å; V585-D587 VanDerWaalsContact C-N 3.34Å; V585-D587 PolarHBondContact O-N 3.35Å; V585-C588 PolarHBondContact O-N 3.3Å; V585-V589 WeakPolarHBondContact O-CG2 3.5Å; V585-V589 PolarHBondContact O-N 3.35Å; V585-V589 VanDerWaalsContact O-N 3.11Å
586	A	93.9	Very high	92	Very high	33 Å²	33	47.5 Å²	47.5	27%	0.273	24%	0.242	S	C	.	.	H	α-helix	trans	-58.8	-42.5	179	0	0	0	0	0	112.9	L570 K582 R583 L584 V589 K590	L570-A586 HydrophobicContact CD1-CB 3.55Å; K582-A586 PolarHBondContact O-N 3.09Å; K582-A586 VanDerWaalsContact O-N 3.14Å; R583-A586 WeakPolarHBondContact O-CB 3.47Å; R583-A586 PolarHBondContact O-N 2.96Å; R583-A586 VanDerWaalsContact O-N 3.15Å; L584-A586 VanDerWaalsContact C-N 3.34Å; L584-A586 PolarHBondContact O-N 2.72Å; A586-V589 PolarHBondContact O-N 3.42Å; A586-K590 PolarHBondContact O-N 3.17Å
587	D	93.6	Very high	92.5	Very high	32 Å²	32	42.8 Å²	42.8	17%	0.171	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-36.4	179	-78.1	-36.5	0	0	0	111.9	R583 L584 V585 K590 P597	R583-D587 IonicContact NE-OD2 2.81Å; R583-D587 PolarHBondContact NE-OD2 3.19Å; R583-D587 PolarHBondContact O-N 2.83Å; L584-D587 PolarHBondContact O-N 2.95Å; V585-D587 VanDerWaalsContact C-N 3.34Å; V585-D587 PolarHBondContact O-N 3.35Å; D587-K590 WeakPolarHBondContact OD1-CE 3.16Å; D587-K590 IonicContact OD1-NZ 2.83Å; D587-K590 PolarHBondContact OD1-NZ 3.33Å; D587-P597 HydrophobicContact CB-CG 4.45Å; D587-P597 WeakPolarHBondContact O-CD 3.48Å
588	C	97.6	Very high	92.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-72.4	-32.9	177.9	-64.5	0	0	0	0	113	V531 Y532 L584 V585 R596	V531-C588 HydrophobicContact CG1-CB 4.02Å; Y532-C588 WeakPolarHBondContact CA-O 3.34Å; L584-C588 PolarHBondContact O-N 2.99Å; L584-C588 PolarHBondContact O-SG 3.45Å; V585-C588 PolarHBondContact O-N 3.3Å; C588-R596 VanDerWaalsContact O-CD 3.24Å; C588-R596 WeakPolarHBondContact O-CD 3.45Å
589	V	96.8	Very high	93.4	Very high	13 Å²	13	44 Å²	44	8%	0.079	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	17.2	-177	-54.5	0	0	0	0	113.9	Y532 I536 P568 V585 A586	Y532-V589 HydrophobicContact CD2-CB 4.35Å; Y532-V589 HydrophobicContact CE2-CB 4.08Å; I536-V589 HydrophobicContact CD1-CG1 4.12Å; P568-V589 HydrophobicContact CG-CB 4.47Å; P568-V589 HydrophobicContact CG-CG1 4.41Å; P568-V589 HydrophobicContact CG-CG2 4.47Å; V585-V589 WeakPolarHBondContact O-CG2 3.5Å; V585-V589 PolarHBondContact O-N 3.35Å; V585-V589 VanDerWaalsContact O-N 3.11Å; A586-V589 PolarHBondContact O-N 3.42Å
590	K	94.2	Very high	93.9	Very high	63 Å²	63	41.5 Å²	41.5	27%	0.274	22%	0.217	S	C	.	.			trans	-58.3	141.6	175.2	-75.4	-175.7	-177.1	152.7	0	111.7	A586 D587 E595 R596	A586-K590 PolarHBondContact O-N 3.17Å; D587-K590 WeakPolarHBondContact OD1-CE 3.16Å; D587-K590 IonicContact OD1-NZ 2.83Å; D587-K590 PolarHBondContact OD1-NZ 3.33Å; K590-E595 HydrophobicContact CB-CB 4.35Å; K590-E595 HydrophobicContact CD-CB 3.45Å; K590-E595 VanDerWaalsContact CD-CB 3.45Å; K590-E595 PolarHBondContact NZ-O 3.01Å; K590-R596 HydrophobicContact CB-CG 4.15Å; K590-R596 PolarHBondContact O-NE 2.87Å; K590-R596 PolarHBondContact O-NH2 3.48Å
591	K	93.2	Very high	94.3	Very high	99 Å²	99	40.2 Å²	40.2	43%	0.43	20%	0.201	S	C	.	.	S	Bend	trans	-67.2	-38.9	-177.9	-63.2	175.1	-173.5	169.5	0	111.9	G564 S567 R596	G564-K591 WeakPolarHBondContact O-CE 3.25Å; G564-K591 PolarHBondContact O-NZ 2.82Å; S567-K591 WeakPolarHBondContact OG-CE 3.31Å; K591-R596 PolarHBondContact O-NH2 3.18Å
592	V	92.3	Very high	94.5	Very high	69 Å²	69	40.2 Å²	40.2	42%	0.418	20%	0.201	S	C	.	.	S	Bend	trans	-82.6	121.4	175.5	-179.1	0	0	0	0	108.6	E594 E595	V592-E594 VanDerWaalsContact C-N 3.33Å; V592-E594 HydrophobicContact CG1-CB 4.46Å; V592-E594 WeakPolarHBondContact CG1-OE2 3.24Å; V592-E594 PolarHBondContact O-N 2.84Å; V592-E595 HydrophobicContact CB-CB 4.49Å; V592-E595 HydrophobicContact CB-CG 3.97Å; V592-E595 HydrophobicContact CG1-CG 3.96Å; V592-E595 PolarHBondContact O-N 2.66Å
593	K	94.3	Very high	94.7	Very high	50 Å²	50	40 Å²	40	22%	0.217	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-64.8	-36.6	-172.3	67.5	-174.1	177.4	-171.8	0	112.2	E515 D521 Q528 E595 R596	E515-K593 HydrophobicContact CG-CD 4.17Å; D521-K593 IonicContact OD2-NZ 3.63Å; D521-K593 PolarHBondContact OD2-NZ 3.11Å; Q528-K593 HydrophobicContact CB-CB 4.04Å; Q528-K593 WeakPolarHBondContact CG-O 3.5Å; K593-E595 PolarHBondContact O-N 3.34Å; K593-R596 WeakPolarHBondContact O-CB 3.49Å; K593-R596 PolarHBondContact O-N 3.22Å
594	E	93.6	Very high	94.8	Very high	129 Å²	129	37.1 Å²	37.1	60%	0.603	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-67.8	-18.6	-178.6	-62.2	72.7	-157.7	0	0	113.5	V592 R596	V592-E594 VanDerWaalsContact C-N 3.33Å; V592-E594 HydrophobicContact CG1-CB 4.46Å; V592-E594 WeakPolarHBondContact CG1-OE2 3.24Å; V592-E594 PolarHBondContact O-N 2.84Å; E594-R596 VanDerWaalsContact C-N 3.35Å
595	E	92.2	Very high	94.8	Very high	89 Å²	89	38.4 Å²	38.4	42%	0.416	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-87	-7.2	178.7	-61.1	-175.5	171.8	0	0	113.1	K590 V592 K593	K590-E595 HydrophobicContact CB-CB 4.35Å; K590-E595 HydrophobicContact CD-CB 3.45Å; K590-E595 VanDerWaalsContact CD-CB 3.45Å; K590-E595 PolarHBondContact NZ-O 3.01Å; V592-E595 HydrophobicContact CB-CB 4.49Å; V592-E595 HydrophobicContact CB-CG 3.97Å; V592-E595 HydrophobicContact CG1-CG 3.96Å; V592-E595 PolarHBondContact O-N 2.66Å; K593-E595 PolarHBondContact O-N 3.34Å
596	R	96	Very high	94.6	Very high	9 Å²	9	38.4 Å²	38.4	3%	0.034	20%	0.201	C	C	.	.	S	Bend	trans	-80.4	138.2	177.3	-58.6	177	-164.1	143.8	11.5	110.1	E515 Q528 V531 C588 K590 K591 K593 E594	E515-R596 IonicContact OE1-CZ 3.98Å; E515-R596 IonicContact OE1-NH1 2.75Å; E515-R596 PolarHBondContact OE1-NH1 3.4Å; E515-R596 IonicContact OE1-NH2 3.77Å; E515-R596 PolarHBondContact OE1-NH2 3.4Å; E515-R596 IonicContact OE2-CZ 2.88Å; E515-R596 IonicContact OE2-NH1 2.73Å; E515-R596 IonicContact OE2-NH2 3.48Å; E515-R596 PolarHBondContact OE2-NH2 2.78Å; Q528-R596 WeakPolarHBondContact O-CD 3.25Å; Q528-R596 PolarHBondContact O-NH1 2.76Å; V531-R596 HydrophobicContact CG1-CB 4Å; C588-R596 VanDerWaalsContact O-CD 3.24Å; C588-R596 WeakPolarHBondContact O-CD 3.45Å; K590-R596 HydrophobicContact CB-CG 4.15Å; K590-R596 PolarHBondContact O-NE 2.87Å; K590-R596 PolarHBondContact O-NH2 3.48Å; K591-R596 PolarHBondContact O-NH2 3.18Å; K593-R596 WeakPolarHBondContact O-CB 3.49Å; K593-R596 PolarHBondContact O-N 3.22Å; E594-R596 VanDerWaalsContact C-N 3.35Å
597	P	95.8	Very high	94.4	Very high	10 Å²	10	39.6 Å²	39.6	7%	0.065	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-69	160	175	30.6	-35	0	0	0	111.2	V531 D587 Q601 I602	V531-P597 WeakPolarHBondContact CG1-O 3.46Å; V531-P597 WeakPolarHBondContact CG2-O 3.46Å; D587-P597 HydrophobicContact CB-CG 4.45Å; D587-P597 WeakPolarHBondContact O-CD 3.48Å; P597-Q601 HydrophobicContact CB-CB 4.04Å; P597-I602 HydrophobicContact CB-CG1 4.06Å; P597-I602 HydrophobicContact CG-CD1 4.16Å; P597-I602 HydrophobicContact CG-CG1 3.72Å
598	L	97.5	Very high	94.1	Very high	63 Å²	63	40.6 Å²	40.6	33%	0.33	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-91.1	162.3	168.8	-63	177.8	0	0	0	110.8	F527 Q528 P600 Q601 I602	F527-L598 HydrophobicContact CB-CD2 4.04Å; Q528-L598 HydrophobicContact CG-CD2 4.38Å; L598-P600 VanDerWaalsContact C-CD 3.4Å; L598-P600 VanDerWaalsContact C-N 3.32Å; L598-P600 VanDerWaalsContact O-N 3.16Å; L598-Q601 WeakPolarHBondContact O-CB 3.21Å; L598-Q601 PolarHBondContact O-N 3.15Å; L598-I602 WeakPolarHBondContact O-CG1 3.26Å; L598-I602 PolarHBondContact O-N 3.02Å; L598-I602 VanDerWaalsContact O-N 3.09Å
599	F	98	Very high	93.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-53.4	-34.2	-177.3	-79.4	-77.2	0	0	0	116	A453 M456 D457 H460 D530 V531 Y534 Q601 I602 L603	A453-F599 HydrophobicContact CB-CD1 4.07Å; A453-F599 HydrophobicContact CB-CE1 4.43Å; M456-F599 HydrophobicContact CB-CD1 3.63Å; M456-F599 HydrophobicContact CB-CD2 3.8Å; M456-F599 HydrophobicContact CB-CE1 3.34Å; M456-F599 HydrophobicContact CB-CE2 3.52Å; M456-F599 HydrophobicContact CB-CG 3.85Å; M456-F599 HydrophobicContact CB-CZ 3.29Å; M456-F599 HydrophobicContact CE-CE2 3.89Å; M456-F599 HydrophobicContact CE-CZ 4.05Å; M456-F599 HydrophobicContact CG-CE1 3.86Å; M456-F599 HydrophobicContact CG-CE2 4.17Å; M456-F599 HydrophobicContact CG-CZ 3.61Å; D457-F599 HydrophobicContact CB-CB 3.82Å; H460-F599 AromaticContact CE1-CD2 3.46Å; H460-F599 VanDerWaalsContact CE1-CD2 3.46Å; H460-F599 WeakPolarHBondContact CE1-CD2 3.36Å; H460-F599 AromaticContact CE1-CE2 3.44Å; H460-F599 VanDerWaalsContact CE1-CE2 3.44Å; H460-F599 WeakPolarHBondContact CE1-CE2 3.32Å; H460-F599 AromaticContact ND1-CD2 3.38Å; H460-F599 WeakPolarHBondContact ND1-CD2 3.48Å; H460-F599 AromaticContact ND1-CE2 3.88Å; D530-F599 HydrophobicContact CB-CE2 4.45Å; V531-F599 HydrophobicContact CG2-CD2 4Å; V531-F599 HydrophobicContact CG2-CE2 3.73Å; V531-F599 HydrophobicContact CG2-CZ 4.29Å; Y534-F599 AromaticContact CD1-CE1 3.85Å; Y534-F599 HydrophobicContact CD1-CE1 3.85Å; Y534-F599 HydrophobicContact CD1-CZ 4.31Å; Y534-F599 AromaticContact CD2-CE1 3.99Å; Y534-F599 HydrophobicContact CD2-CE1 3.99Å; Y534-F599 HydrophobicContact CD2-CZ 4.4Å; Y534-F599 HydrophobicContact CE1-CE1 4.26Å; Y534-F599 HydrophobicContact CE2-CE1 4.39Å; Y534-F599 AromaticContact CG-CE1 3.7Å; Y534-F599 HydrophobicContact CG-CE1 3.7Å; Y534-F599 AromaticContact CG-CZ 3.91Å; Y534-F599 HydrophobicContact CG-CZ 3.91Å; F599-Q601 VanDerWaalsContact C-N 3.3Å; F599-Q601 PolarHBondContact O-N 2.99Å; F599-I602 HydrophobicContact CD1-CD1 4.12Å; F599-I602 HydrophobicContact CE1-CD1 4.31Å; F599-I602 HydrophobicContact CG-CD1 4.43Å; F599-I602 PolarHBondContact O-N 3.46Å; F599-L603 WeakPolarHBondContact O-CB 3.5Å; F599-L603 PolarHBondContact O-N 3.1Å
600	P	95.4	Very high	92.8	Very high	60 Å²	60	43.8 Å²	43.8	39%	0.39	22%	0.22	S	C	.	.	H	α-helix	trans	-59.4	-37.7	173.2	-26.3	33.8	0	0	0	113.8	D457 L598 S604	D457-P600 WeakPolarHBondContact OD1-CD 3.46Å; D457-P600 VanDerWaalsContact OD1-CG 3.26Å; D457-P600 WeakPolarHBondContact OD1-CG 3.39Å; L598-P600 VanDerWaalsContact C-CD 3.4Å; L598-P600 VanDerWaalsContact C-N 3.32Å; L598-P600 VanDerWaalsContact O-N 3.16Å; P600-S604 WeakPolarHBondContact O-CB 3.34Å; P600-S604 PolarHBondContact O-N 3.27Å
601	Q	94	Very high	91.9	Very high	28 Å²	28	45.5 Å²	45.5	13%	0.131	23%	0.228	C	C	.	.	H	α-helix	trans	-76.3	-37.8	177.8	-69.4	149	-8.6	0	0	111.6	F151 Q156 P597 L598 F599 S605	F151-Q601 HydrophobicContact CB-CG 4.19Å; F151-Q601 HydrophobicContact CD1-CG 3.98Å; F151-Q601 HydrophobicContact CD2-CB 4.39Å; F151-Q601 HydrophobicContact CD2-CG 3.97Å; F151-Q601 HydrophobicContact CE1-CG 4.36Å; F151-Q601 HydrophobicContact CE2-CG 4.34Å; F151-Q601 HydrophobicContact CG-CG 3.78Å; Q156-Q601 PolarHBondContact O-NE2 2.67Å; Q156-Q601 VanDerWaalsContact OE1-CD 3.31Å; P597-Q601 HydrophobicContact CB-CB 4.04Å; L598-Q601 WeakPolarHBondContact O-CB 3.21Å; L598-Q601 PolarHBondContact O-N 3.15Å; F599-Q601 VanDerWaalsContact C-N 3.3Å; F599-Q601 PolarHBondContact O-N 2.99Å; Q601-S605 WeakPolarHBondContact O-CB 3.26Å; Q601-S605 PolarHBondContact O-N 2.79Å; Q601-S605 PolarHBondContact O-OG 2.87Å
602	I	96.9	Very high	91	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-51.7	175.5	-64.4	172.8	0	0	0	109.4	A453 V531 Y534 L584 P597 L598 F599 S604 S605 I606	A453-I602 HydrophobicContact CB-CG2 4.21Å; V531-I602 HydrophobicContact CB-CD1 4.48Å; V531-I602 HydrophobicContact CG1-CD1 3.8Å; V531-I602 HydrophobicContact CG2-CD1 4.01Å; Y534-I602 HydrophobicContact CD1-CD1 4.34Å; Y534-I602 HydrophobicContact CD1-CG2 4.34Å; Y534-I602 HydrophobicContact CE1-CG2 3.54Å; L584-I602 HydrophobicContact CD1-CB 4.46Å; L584-I602 HydrophobicContact CD1-CG1 4.22Å; L584-I602 HydrophobicContact CD1-CG2 4.3Å; L584-I602 HydrophobicContact CD2-CG2 4.22Å; P597-I602 HydrophobicContact CB-CG1 4.06Å; P597-I602 HydrophobicContact CG-CD1 4.16Å; P597-I602 HydrophobicContact CG-CG1 3.72Å; L598-I602 WeakPolarHBondContact O-CG1 3.26Å; L598-I602 PolarHBondContact O-N 3.02Å; L598-I602 VanDerWaalsContact O-N 3.09Å; F599-I602 HydrophobicContact CD1-CD1 4.12Å; F599-I602 HydrophobicContact CE1-CD1 4.31Å; F599-I602 HydrophobicContact CG-CD1 4.43Å; F599-I602 PolarHBondContact O-N 3.46Å; I602-S604 PolarHBondContact O-N 2.77Å; I602-S605 WeakPolarHBondContact O-CA 3.34Å; I602-S605 WeakPolarHBondContact O-CB 3.42Å; I602-S605 PolarHBondContact O-N 2.87Å; I602-I606 HydrophobicContact CG2-CD1 3.84Å; I602-I606 WeakPolarHBondContact O-CG1 3.47Å; I602-I606 PolarHBondContact O-N 3.08Å
603	L	95.7	Very high	90	Very high	20 Å²	20	43.3 Å²	43.3	11%	0.105	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-48.2	-179.2	-176.3	62.3	0	0	0	111.2	R450 A453 Q454 F599 S605 I606 E607	R450-L603 HydrophobicContact CG-CD1 3.92Å; A453-L603 HydrophobicContact CB-CD1 4.34Å; Q454-L603 HydrophobicContact CG-CD1 3.53Å; Q454-L603 HydrophobicContact CG-CD2 3.97Å; Q454-L603 HydrophobicContact CG-CG 4.43Å; F599-L603 WeakPolarHBondContact O-CB 3.5Å; F599-L603 PolarHBondContact O-N 3.1Å; L603-S605 VanDerWaalsContact C-N 3.25Å; L603-S605 PolarHBondContact O-N 3.31Å; L603-I606 PolarHBondContact O-N 2.67Å; L603-I606 VanDerWaalsContact O-N 3.15Å; L603-E607 HydrophobicContact CD1-CG 4.21Å; L603-E607 HydrophobicContact CG-CG 4.35Å; L603-E607 WeakPolarHBondContact O-CB 3.28Å; L603-E607 WeakPolarHBondContact O-CG 3.39Å; L603-E607 PolarHBondContact O-N 3.29Å
604	S	91.3	Very high	88.6	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-55.7	-40	173.8	167.8	0	0	0	0	112.3	L149 P600 I602 L608	L149-S604 PolarHBondContact O-OG 2.78Å; P600-S604 WeakPolarHBondContact O-CB 3.34Å; P600-S604 PolarHBondContact O-N 3.27Å; I602-S604 PolarHBondContact O-N 2.77Å; S604-L608 WeakPolarHBondContact O-CB 3.42Å; S604-L608 WeakPolarHBondContact O-CD1 3.27Å; S604-L608 WeakPolarHBondContact O-CG 3.47Å; S604-L608 PolarHBondContact O-N 2.95Å
605	S	91.4	Very high	86.8	Confident	36 Å²	36	49 Å²	49	25%	0.252	26%	0.261	S	S	.	.	H	α-helix	trans	-68.3	-39.9	178.6	-59.8	0	0	0	0	112.6	Q601 I602 L603 L609	Q601-S605 WeakPolarHBondContact O-CB 3.26Å; Q601-S605 PolarHBondContact O-N 2.79Å; Q601-S605 PolarHBondContact O-OG 2.87Å; I602-S605 WeakPolarHBondContact O-CA 3.34Å; I602-S605 WeakPolarHBondContact O-CB 3.42Å; I602-S605 PolarHBondContact O-N 2.87Å; L603-S605 VanDerWaalsContact C-N 3.25Å; L603-S605 PolarHBondContact O-N 3.31Å; S605-L609 PolarHBondContact O-N 3.06Å; S605-L609 VanDerWaalsContact O-N 3.15Å
606	I	93.2	Very high	85	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-71.4	-42.1	178	-61.7	171.2	0	0	0	111.1	I446 A449 R450 A453 Y534 M581 L584 I602 L603 L609 Q610	I446-I606 HydrophobicContact CG2-CG2 4.13Å; A449-I606 HydrophobicContact CB-CD1 4.48Å; R450-I606 HydrophobicContact CB-CG2 3.68Å; R450-I606 HydrophobicContact CG-CG2 4.09Å; A453-I606 HydrophobicContact CB-CD1 4.18Å; Y534-I606 WeakPolarHBondContact OH-CD1 3.25Å; M581-I606 HydrophobicContact CE-CG1 4.41Å; L584-I606 HydrophobicContact CD2-CD1 3.87Å; L584-I606 HydrophobicContact CD2-CG1 3.37Å; I602-I606 HydrophobicContact CG2-CD1 3.84Å; I602-I606 WeakPolarHBondContact O-CG1 3.47Å; I602-I606 PolarHBondContact O-N 3.08Å; L603-I606 PolarHBondContact O-N 2.67Å; L603-I606 VanDerWaalsContact O-N 3.15Å; I606-L609 WeakPolarHBondContact O-CA 3.43Å; I606-L609 WeakPolarHBondContact O-CB 3.4Å; I606-L609 PolarHBondContact O-N 3.19Å; I606-L609 VanDerWaalsContact O-N 3.13Å; I606-Q610 PolarHBondContact O-N 3.21Å
607	E	90.4	Very high	82.4	Confident	57 Å²	57	58 Å²	58	27%	0.266	31%	0.311	S	S	.	.	H	α-helix	trans	-63.7	-43	177.5	-72	177.3	166.6	0	0	111.7	R450 L603 L609 Q610 H611	R450-E607 HydrophobicContact CG-CG 4.5Å; L603-E607 HydrophobicContact CD1-CG 4.21Å; L603-E607 HydrophobicContact CG-CG 4.35Å; L603-E607 WeakPolarHBondContact O-CB 3.28Å; L603-E607 WeakPolarHBondContact O-CG 3.39Å; L603-E607 PolarHBondContact O-N 3.29Å; E607-L609 PolarHBondContact O-N 2.84Å; E607-Q610 PolarHBondContact O-N 3.37Å; E607-H611 PolarHBondContact O-CD2 2.9Å; E607-H611 PolarHBondContact O-N 3.31Å; E607-H611 VanDerWaalsContact O-N 3.15Å
608	L	86	Confident	79.7	Confident	53 Å²	53	69 Å²	69	28%	0.277	35%	0.352	S	S	.	.	H	α-helix	trans	-58.7	-38.6	172.6	-76.4	169.8	0	0	0	111.7	K148 A150 S604 S612	K148-L608 HydrophobicContact CB-CD2 4.21Å; A150-L608 HydrophobicContact CB-CD1 4.34Å; S604-L608 WeakPolarHBondContact O-CB 3.42Å; S604-L608 WeakPolarHBondContact O-CD1 3.27Å; S604-L608 WeakPolarHBondContact O-CG 3.47Å; S604-L608 PolarHBondContact O-N 2.95Å; L608-S612 PolarHBondContact O-N 3.09Å
609	L	84.7	Confident	77.2	Confident	9 Å²	9	70.5 Å²	70.5	5%	0.047	37%	0.367	C	S	.	.	H	α-helix	trans	-66.9	-47.2	175.9	173.6	66.6	0	0	0	111.6	I446 P578 A580 M581 S605 I606 E607 H611 S612 L613	I446-L609 HydrophobicContact CD1-CD2 3.96Å; I446-L609 HydrophobicContact CD1-CG 4.49Å; I446-L609 HydrophobicContact CG1-CD2 4.47Å; I446-L609 HydrophobicContact CG2-CD2 4.48Å; P578-L609 HydrophobicContact CB-CD1 3.37Å; P578-L609 HydrophobicContact CB-CD2 4.14Å; P578-L609 HydrophobicContact CB-CG 4.35Å; P578-L609 HydrophobicContact CG-CD1 3.85Å; P578-L609 HydrophobicContact CG-CD2 4.22Å; P578-L609 HydrophobicContact CG-CG 4.49Å; A580-L609 HydrophobicContact CB-CD1 4.24Å; M581-L609 HydrophobicContact CB-CD2 3.78Å; M581-L609 HydrophobicContact CE-CD2 3.91Å; S605-L609 PolarHBondContact O-N 3.06Å; S605-L609 VanDerWaalsContact O-N 3.15Å; I606-L609 WeakPolarHBondContact O-CA 3.43Å; I606-L609 WeakPolarHBondContact O-CB 3.4Å; I606-L609 PolarHBondContact O-N 3.19Å; I606-L609 VanDerWaalsContact O-N 3.13Å; E607-L609 PolarHBondContact O-N 2.84Å; L609-H611 PolarHBondContact O-N 3.31Å; L609-S612 WeakPolarHBondContact O-CA 3.36Å; L609-S612 PolarHBondContact O-N 3.01Å; L609-S612 PolarHBondContact O-OG 2.91Å; L609-L613 PolarHBondContact O-N 3.31Å; L609-L613 VanDerWaalsContact O-N 3.14Å
610	Q	83.1	Confident	74.4	Confident	71 Å²	71	75.7 Å²	75.7	33%	0.332	41%	0.41	S	S	.	.	H	α-helix	trans	-58.5	-34.9	-179	-168	179.1	13.9	0	0	112.1	I606 E607 S612	I606-Q610 PolarHBondContact O-N 3.21Å; E607-Q610 PolarHBondContact O-N 3.37Å; Q610-S612 VanDerWaalsContact C-N 3.29Å; Q610-S612 PolarHBondContact O-N 2.85Å
611	H	75.6	Confident	72.1	Confident	99 Å²	99	77.5 Å²	77.5	46%	0.458	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-20.2	174	-67.8	-50.6	0	0	0	114.8	K148 E607 L609	K148-H611 PolarHBondContact NZ-CD2 2.94Å; K148-H611 PolarHBondContact NZ-CE1 3.37Å; K148-H611 VanDerWaalsContact NZ-CE1 3.33Å; K148-H611 PolarHBondContact NZ-ND1 2.87Å; K148-H611 PolarHBondContact NZ-NE2 3.5Å; E607-H611 PolarHBondContact O-CD2 2.9Å; E607-H611 PolarHBondContact O-N 3.31Å; E607-H611 VanDerWaalsContact O-N 3.15Å; L609-H611 PolarHBondContact O-N 3.31Å
612	S	73.1	Confident	69.6	Low	83 Å²	83	84.8 Å²	84.8	58%	0.58	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-14.5	180	69.9	0	0	0	0	113.8	L608 L609 Q610	L608-S612 PolarHBondContact O-N 3.09Å; L609-S612 WeakPolarHBondContact O-CA 3.36Å; L609-S612 PolarHBondContact O-N 3.01Å; L609-S612 PolarHBondContact O-OG 2.91Å; Q610-S612 VanDerWaalsContact C-N 3.29Å; Q610-S612 PolarHBondContact O-N 2.85Å
613	L	71.2	Confident	67.2	Low	39 Å²	39	89.6 Å²	89.6	20%	0.204	49%	0.489	C	S	.	.	S	Bend	trans	-68.2	142.2	173	-66.1	167.4	0	0	0	109.3	I446 P578 L609 K615	I446-L613 HydrophobicContact CD1-CD1 3.45Å; I446-L613 VanDerWaalsContact CD1-CD1 3.45Å; I446-L613 HydrophobicContact CD1-CD2 4.18Å; I446-L613 HydrophobicContact CD1-CG 4.36Å; I446-L613 HydrophobicContact CG2-CD1 4.29Å; P578-L613 HydrophobicContact CG-CD2 3.79Å; L609-L613 PolarHBondContact O-N 3.31Å; L609-L613 VanDerWaalsContact O-N 3.14Å; L613-K615 PolarHBondContact O-N 3.25Å
614	P	64.6	Low	64.7	Low	125 Å²	125	94.5 Å²	94.5	81%	0.812	53%	0.525	S	S	*	.			trans	-54.3	111.2	168.3	-18.2	29.3	0	0	0	107.8	I616	P614-I616 PolarHBondContact O-N 3.04Å
615	K	56.1	Low	62.4	Low	175 Å²	175	101.2 Å²	101.2	76%	0.761	56%	0.56	S	S	*	*			trans	-63.1	110	170.4	-65	-177.9	-177.9	-178.5	0	105.4	L613	L613-K615 PolarHBondContact O-N 3.25Å
616	I	54.2	Low	60.1	Low	127 Å²	127	108.5 Å²	108.5	65%	0.651	59%	0.59	S	S	*	*	S	Bend	trans	22.2	117.2	161.1	-55	170.3	0	0	0	114.5	P614 R618	P614-I616 PolarHBondContact O-N 3.04Å; I616-R618 PolarHBondContact O-N 2.77Å
617	N	42.3	Very low	57.4	Low	159 Å²	159	120.4 Å²	120.4	85%	0.85	64%	0.635	S	S	*	*			trans	-21.9	93.3	167.6	-80	-33.5	0	0	0	113.2	S619	N617-S619 VanDerWaalsContact C-N 3.26Å; N617-S619 PolarHBondContact O-N 3.22Å
618	R	39.8	Very low	54.7	Low	242 Å²	242	122.6 Å²	122.6	91%	0.913	66%	0.663	S	S	*	*			trans	-78	95.2	143.7	-72.7	-174.1	176.2	159.9	-2.6	104.5	I616 A620	I616-R618 PolarHBondContact O-N 2.77Å; R618-A620 PolarHBondContact O-N 3.14Å
619	S	44	Very low	52.2	Low	94 Å²	94	124 Å²	124	66%	0.657	68%	0.682	S	S	*	*			trans	-49.8	128.2	144.3	-56	0	0	0	0	105	N617 S621	N617-S619 VanDerWaalsContact C-N 3.26Å; N617-S619 PolarHBondContact O-N 3.22Å; S619-S621 PolarHBondContact O-N 3.45Å
620	A	39.3	Very low	49.9	Very low	108 Å²	108	132.3 Å²	132.3	89%	0.893	72%	0.72	S	S	*	*			trans	-67	72.1	168	0	0	0	0	0	107.7	R618 E622	R618-A620 PolarHBondContact O-N 3.14Å; A620-E622 PolarHBondContact O-N 3.5Å
621	S	47	Very low	47.7	Very low	99 Å²	99	135.2 Å²	135.2	69%	0.692	74%	0.743	S	S	*	*			trans	-75.8	115.4	154.2	51.7	0	0	0	0	104.9	S619	S619-S621 PolarHBondContact O-N 3.45Å
622	E	42.5	Very low	45.9	Very low	181 Å²	181	138.5 Å²	138.5	85%	0.846	76%	0.758	S	S	*	*			trans	-43.9	129.7	166.2	-124.6	177.3	170.2	0	0	108.2	A620 S624	A620-E622 PolarHBondContact O-N 3.5Å; E622-S624 PolarHBondContact O-N 3.1Å; E622-S624 VanDerWaalsContact O-N 3.1Å
623	P	45.5	Very low	44.3	Very low	100 Å²	100	141.1 Å²	141.1	65%	0.649	77%	0.766	S	S	*	*			trans	-59.2	124.5	171.1	26.2	-30	0	0	0	106	L625	P623-L625 PolarHBondContact O-N 3.23Å
624	S	44.1	Very low	42.8	Very low	124 Å²	124	147.2 Å²	147.2	87%	0.867	80%	0.797	S	S	*	*			trans	-65.8	75	170	54.4	0	0	0	0	109.1	E622 H626	E622-S624 PolarHBondContact O-N 3.1Å; E622-S624 VanDerWaalsContact O-N 3.1Å; S624-H626 PolarHBondContact O-N 2.78Å
625	L	42.5	Very low	41.3	Very low	143 Å²	143	148.7 Å²	148.7	75%	0.749	80%	0.798	S	S	*	*			trans	-72.8	106.8	155.3	-79.4	166.4	0	0	0	104.4	P623	P623-L625 PolarHBondContact O-N 3.23Å
626	H	42.6	Very low	40.5	Very low	190 Å²	190	144.7 Å²	144.7	88%	0.88	80%	0.798	S	S	*	*			trans	166.9	67.2	155.6	-87.1	99.4	0	0	0	107.7	S624	S624-H626 PolarHBondContact O-N 2.78Å
627	R	36	Very low	39.8	Very low	250 Å²	250	144.2 Å²	144.2	94%	0.943	80%	0.804	S	S	*	*	S	Bend	trans	-164.3	67.5	160	-137.2	178.3	-105.9	151.3	-5.4	111.4
628	A	33.9	Very low	39.6	Very low	103 Å²	103	142.6 Å²	142.6	85%	0.851	80%	0.8	S	S	*	*	S	Bend	trans	172.2	84.7	156.4	0	0	0	0	0	110.1
629	A	35	Very low	39.5	Very low	82 Å²	82	138.1 Å²	138.1	68%	0.678	79%	0.793	S	S	*	*			trans	-168.9	148.6	152.6	0	0	0	0	0	107.2
630	H	35.4	Very low	39.3	Very low	185 Å²	185	139.5 Å²	139.5	86%	0.856	80%	0.798	S	S	*	*			trans	87.2	61.6	-173.6	-46.7	-67.2	0	0	0	114.7
631	T	37	Very low	39.3	Very low	131 Å²	131	140.9 Å²	140.9	80%	0.804	80%	0.796	S	S	*	*				-82.7	140.7	129.9	38	0	0	0	0	108.5
632	E	38	Very low	38.9	Very low	168 Å²	168	141.3 Å²	141.3	79%	0.785	80%	0.799	S	S	*	*	S	Bend	trans	96.8	111.3	166.9	-52.1	-168.7	168.4	0	0	117
633	D	39.3	Very low	39.3	Very low	138 Å²	138	137.8 Å²	137.8	74%	0.738	79%	0.791	S	S	*	*			trans	79.2	106.4	147.1	-51.5	-26	0	0	0	119.7
634	I	38.7	Very low	39.3	Very low	167 Å²	167	145 Å²	145	86%	0.856	81%	0.806	S	S	*	*				168.3	117.9	111	-80.9	153.1	0	0	0	109.5
635	N	35	Very low	39.3	Very low	157 Å²	157	146.9 Å²	146.9	84%	0.84	81%	0.805	S	S	*	*			trans	-64.1	140	165.9	-78	-33.3	0	0	0	111.1
636	A	38.7	Very low	39.5	Very low	91 Å²	91	144.9 Å²	144.9	75%	0.752	80%	0.801	S	S	*	*				151.2	125.8	124.4	0	0	0	0	0	114
637	C	38.4	Very low	39.7	Very low	117 Å²	117	141.7 Å²	141.7	79%	0.791	79%	0.794	S	S	*	*			trans	87.6	118.9	141.7	-70.7	0	0	0	0	122.2
638	T	38.3	Very low	40.3	Very low	124 Å²	124	143.1 Å²	143.1	76%	0.761	81%	0.808	S	S	*	*			trans	73.6	101.5	140.5	28.9	0	0	0	0	118.7
639	L	38.9	Very low	40.6	Very low	148 Å²	148	145.2 Å²	145.2	78%	0.775	81%	0.806	S	S	*	*				75.3	117.8	72.9	-78.2	165.7	0	0	0	115.8
640	T	39.2	Very low	40.9	Very low	123 Å²	123	148.5 Å²	148.5	76%	0.755	81%	0.813	S	S	*	*			trans	70.1	137.9	148.3	65.2	0	0	0	0	116.7
641	T	39.8	Very low	41.2	Very low	137 Å²	137	146.4 Å²	146.4	84%	0.84	81%	0.81	S	S	*	*			cis	-169.7	150	26.9	-12.4	0	0	0	0	108.6
642	S	37.8	Very low	41.4	Very low	108 Å²	108	147.4 Å²	147.4	76%	0.755	81%	0.81	S	S	*	*			trans	-88.7	-165.1	175.4	-159.3	0	0	0	0	111.1
643	P	50.5	Low	41.6	Very low	107 Å²	107	146.1 Å²	146.1	70%	0.695	81%	0.812	S	S	*	*				-124.5	177.5	-56.8	23.6	-3.2	0	0	0	112.3
644	R	45.1	Very low	41.8	Very low	253 Å²	253	146.6 Å²	146.6	96%	0.955	82%	0.817	S	S	*	*			trans	-168.1	133.5	141.5	-105.4	168	-166	-171.9	4.7	113.6
645	L	45.9	Very low	42	Very low	163 Å²	163	145.1 Å²	145.1	85%	0.853	81%	0.814	S	S	*	*			trans	-68.5	-166	176.9	-76.8	151.2	0	0	0	113.7
646	P	45.2	Very low	42.6	Very low	101 Å²	101	144.2 Å²	144.2	66%	0.656	81%	0.812	S	S	*	*				-143.5	-170.1	-65.3	46	-28.2	0	0	0	114.1
647	V	47	Very low	42.9	Very low	122 Å²	122	148.7 Å²	148.7	74%	0.739	82%	0.817	S	S	*	*			trans	71.9	113	154.8	-175.5	0	0	0	0	120.2
648	F	48.3	Very low	43.3	Very low	281 Å²	281	151.5 Å²	151.5	100%	1.232	82%	0.82	S	S	*	*				-135.5	0	116.3	-93.3	-77.1	0	0	0	109.2

Retrieved 648 of 648 residues in 177.9 ms (Link to these results)

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