A0A5K4ERT2_SCHMA Loading...

Ubiquinone biosynthesis monooxygenase COQ6, mitochondrial

FAD-dependent monooxygenase required for two non-consecutive steps during ubiquinone biosynthesis. Required for the C5-ring hydroxylation during ubiquinone biosynthesis by catalyzing the hydroxylation of 4-hydroxy-3-(all-trans-polyprenyl)benzoic acid to 3,4-dihydroxy-5-(all-trans-polyprenyl)benzoic acid. Also acts downstream of coq4, for the C1-hydroxylation during ubiquinone biosynthesis by catalyzing the hydroxylation of 2-methoxy-6-(all-trans-polyprenyl)phenol to 2-methoxy-6-(all-trans-polyprenyl)benzene-1,4-diol. The electrons required for the hydroxylation reaction are funneled indirectly to coq6 from NADPH via a ferredoxin/ferredoxin reductase system.

AlphaFold DB , UniProt , Accession A0A5K4ERT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 535 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	28.3	Very low	238 Å²	238	156.8 Å²	156.8	100%	1.172	83%	0.832	S	S	*	*				0	103.9	0	-84.2	175.7	168	0	0	108.1	H3	M1-H3 PolarHBondContact O-N 3.38Å
2	V	28.8	Very low	28.3	Very low	131 Å²	131	155.6 Å²	155.6	79%	0.794	83%	0.826	S	S	*	*			trans	-80.8	109.3	177.6	176.3	0	0	0	0	107.4	T4	V2-T4 HydrophobicContact CG1-CG2 4.3Å
3	H	27.3	Very low	28.2	Very low	177 Å²	177	160 Å²	160	82%	0.819	83%	0.834	S	S	*	*			trans	-102.9	93.5	164.1	-97.3	-54.8	0	0	0	108.6	M1 T5	M1-H3 PolarHBondContact O-N 3.38Å; H3-T5 PolarHBondContact O-N 3.03Å
4	T	26	Very low	28.3	Very low	118 Å²	118	157.4 Å²	157.4	72%	0.724	83%	0.829	S	S	*	*			trans	-71.9	103.8	166.9	15.7	0	0	0	0	108.9	V2 R6	V2-T4 HydrophobicContact CG1-CG2 4.3Å; T4-R6 PolarHBondContact O-N 3.12Å
5	T	29.6	Very low	28.4	Very low	138 Å²	138	154.5 Å²	154.5	85%	0.847	82%	0.819	S	S	*	*			trans	-76.8	106.9	171.5	-43.2	0	0	0	0	108.7	H3 T7	H3-T5 PolarHBondContact O-N 3.03Å; T5-T7 PolarHBondContact O-N 3.35Å
6	R	26.3	Very low	28.4	Very low	219 Å²	219	159 Å²	159	83%	0.826	82%	0.824	S	S	*	*			trans	-56.3	125.1	179.9	-75.7	173.3	167.9	172.5	-4.6	111.9	T4 F8	T4-R6 PolarHBondContact O-N 3.12Å; R6-F8 PolarHBondContact O-N 3.08Å
7	T	27.3	Very low	28.3	Very low	125 Å²	125	163.5 Å²	163.5	77%	0.767	83%	0.829	S	S	*	*			trans	-63.9	116	159.4	37.8	0	0	0	0	109.4	T5 N9	T5-T7 PolarHBondContact O-N 3.35Å; T7-N9 PolarHBondContact O-N 2.77Å; T7-N9 VanDerWaalsContact O-N 3.15Å
8	F	28.6	Very low	28.5	Very low	204 Å²	204	159.2 Å²	159.2	90%	0.895	82%	0.823	S	S	*	*			trans	-75.9	97	173	-106.5	-95.9	0	0	0	109.1	R6 A10	R6-F8 PolarHBondContact O-N 3.08Å; F8-A10 PolarHBondContact O-N 2.81Å
9	N	27.7	Very low	28.4	Very low	130 Å²	130	161.3 Å²	161.3	70%	0.695	83%	0.826	S	S	*	*			trans	-69.9	110.8	167	-84.9	-23.7	0	0	0	109.6	T7 L11	T7-N9 PolarHBondContact O-N 2.77Å; T7-N9 VanDerWaalsContact O-N 3.15Å; N9-L11 PolarHBondContact O-N 3.25Å
10	A	28.2	Very low	28.4	Very low	108 Å²	108	161.8 Å²	161.8	89%	0.893	83%	0.829	S	S	*	*			trans	-75.9	70.6	170.9	0	0	0	0	0	110.8	F8	F8-A10 PolarHBondContact O-N 2.81Å
11	L	28.1	Very low	28.5	Very low	137 Å²	137	162.1 Å²	162.1	72%	0.717	83%	0.831	S	S	*	*			trans	-124.1	16	177.2	-109	155.9	0	0	0	113.6	N9	N9-L11 PolarHBondContact O-N 3.25Å
12	N	27.8	Very low	28.3	Very low	142 Å²	142	159.3 Å²	159.3	76%	0.759	82%	0.815	S	S	*	*			trans	-106.5	18.8	-174.9	-89.2	-19	0	0	0	116.4
13	F	27.7	Very low	28.4	Very low	213 Å²	213	162 Å²	162	93%	0.934	82%	0.818	S	S	*	*	S	Bend	trans	-92.2	1.9	175.5	-104.2	-83.2	0	0	0	115.6
14	T	29.2	Very low	28.8	Very low	124 Å²	124	160.1 Å²	160.1	76%	0.761	82%	0.82	S	S	*	*	S	Bend	trans	-99.6	1.2	-175.9	-39.3	0	0	0	0	114.7
15	V	29.9	Very low	29	Very low	113 Å²	113	159.1 Å²	159.1	69%	0.685	82%	0.815	S	S	*	*	S	Bend	trans	-104.3	-5.8	-174.2	-178	0	0	0	0	114.6
16	Y	28.1	Very low	29	Very low	227 Å²	227	158.3 Å²	158.3	89%	0.89	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-2.2	-176.9	-108.4	-86	0	0	0	116.6
17	Y	27	Very low	29.3	Very low	235 Å²	235	155.4 Å²	155.4	92%	0.922	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	1.3	-179.4	-119.5	-89.3	0	0	0	115.7
18	A	31.1	Very low	29.4	Very low	87 Å²	87	157.8 Å²	157.8	72%	0.719	82%	0.817	S	S	*	*	S	Bend	trans	-103.8	10.3	-175.3	0	0	0	0	0	115.4
19	K	27.3	Very low	29.4	Very low	199 Å²	199	154 Å²	154	87%	0.865	82%	0.815	S	S	*	*	S	Bend	trans	-116.8	17.1	-171.4	-132	175.4	-175.1	179.3	0	116.8
20	L	29.2	Very low	29.4	Very low	170 Å²	170	155.9 Å²	155.9	89%	0.89	82%	0.822	S	S	*	*	S	Bend	trans	-117.2	15.1	-179.9	-100	156.1	0	0	0	115.5
21	L	29.8	Very low	29.5	Very low	169 Å²	169	159.6 Å²	159.6	89%	0.885	82%	0.823	S	S	*	*			trans	-115.7	20.3	178.8	-74.3	172.7	0	0	0	115.5
22	H	29.2	Very low	29.7	Very low	179 Å²	179	162.8 Å²	162.8	83%	0.829	83%	0.832	S	S	*	*			trans	-109.3	77.1	169.9	-84.2	-76.7	0	0	0	111.3
23	H	30.4	Very low	30	Very low	187 Å²	187	161.7 Å²	161.7	87%	0.866	83%	0.832	S	S	*	*			trans	-175	83.3	146.9	-104.3	-61.8	0	0	0	109.7
24	V	35.3	Very low	30.3	Very low	139 Å²	139	158.2 Å²	158.2	84%	0.842	82%	0.823	S	S	*	*			trans	-123.6	112.6	157.1	-176.9	0	0	0	0	106.3
25	P	31.1	Very low	30.5	Very low	97 Å²	97	163.3 Å²	163.3	63%	0.63	83%	0.83	S	S	*	*			trans	-73	143.4	-175.4	28.7	-31.1	0	0	0	110.9	I27	P25-I27 PolarHBondContact O-N 3.44Å; P25-I27 VanDerWaalsContact O-N 3.12Å
26	S	28.9	Very low	30.7	Very low	121 Å²	121	166 Å²	166	85%	0.846	84%	0.835	S	S	*	*			trans	-55.9	105.8	169.7	49.6	0	0	0	0	111
27	I	33.6	Very low	31.1	Very low	158 Å²	158	164.7 Å²	164.7	81%	0.81	83%	0.834	S	S	*	*			trans	-98.1	116.9	166.5	-63.2	177.8	0	0	0	107.5	P25	P25-I27 PolarHBondContact O-N 3.44Å; P25-I27 VanDerWaalsContact O-N 3.12Å
28	Q	30.1	Very low	31.6	Very low	175 Å²	175	162.2 Å²	162.2	82%	0.818	83%	0.828	S	S	*	*			trans	-54.2	150.5	179.2	-78.2	167.5	-44.2	0	0	112.8	M30	Q28-M30 PolarHBondContact O-N 2.85Å
29	S	27.4	Very low	31.8	Very low	123 Å²	123	165.6 Å²	165.6	86%	0.86	83%	0.833	S	S	*	*			trans	-49	104.1	173	57.2	0	0	0	0	112.1
30	M	29	Very low	32.4	Very low	171 Å²	171	161.1 Å²	161.1	84%	0.842	82%	0.823	S	S	*	*			trans	-89.6	112.9	165.8	-128.5	169.5	167.3	0	0	107.6	Q28 F32	Q28-M30 PolarHBondContact O-N 2.85Å; M30-F32 PolarHBondContact O-N 3.14Å
31	M	28.9	Very low	32.7	Very low	185 Å²	185	158.4 Å²	158.4	91%	0.911	81%	0.814	S	S	*	*			trans	-49.3	128.6	170.8	-83.7	-179.7	168.9	0	0	110.2	P33	M31-P33 VanDerWaalsContact O-CD 3.27Å; M31-P33 WeakPolarHBondContact O-CD 3.27Å
32	F	32.6	Very low	33.3	Very low	205 Å²	205	155.1 Å²	155.1	90%	0.899	80%	0.804	S	S	*	*			trans	-83.1	113.6	173.1	-68	-85.9	0	0	0	110.1	M30	M30-F32 PolarHBondContact O-N 3.14Å
33	P	34	Very low	33.9	Very low	118 Å²	118	155.6 Å²	155.6	77%	0.766	81%	0.805	S	S	*	*			trans	-87.2	121.5	167	3.2	18	0	0	0	109.7	M31	M31-P33 VanDerWaalsContact O-CD 3.27Å; M31-P33 WeakPolarHBondContact O-CD 3.27Å
34	N	35.2	Very low	34.4	Very low	141 Å²	141	155.9 Å²	155.9	75%	0.754	80%	0.798	S	S	*	*			trans	21.2	108.7	150.4	-68.5	-29.8	0	0	0	119.6	H36	N34-H36 PolarHBondContact O-N 2.73Å
35	Y	32.4	Very low	34.7	Very low	231 Å²	231	154.2 Å²	154.2	91%	0.906	79%	0.793	S	S	*	*			trans	13.7	95.8	134.7	-69.3	-87.4	0	0	0	117.4
36	H	35.3	Very low	35.5	Very low	169 Å²	169	158.2 Å²	158.2	78%	0.782	80%	0.796	S	S	*	*			trans	-111.6	121.6	144.7	-91	-77.3	0	0	0	109.5	N34 F38	N34-H36 PolarHBondContact O-N 2.73Å; H36-F38 VanDerWaalsContact C-N 3.31Å; H36-F38 PolarHBondContact O-N 2.98Å
37	K	35.3	Very low	36.3	Very low	200 Å²	200	156.3 Å²	156.3	87%	0.87	78%	0.783	S	S	*	*			trans	-52.1	87.6	173.4	-71.7	172.1	174.4	174.6	0	110.6	L39	K37-L39 PolarHBondContact O-N 3.15Å; K37-L39 VanDerWaalsContact O-N 3.08Å
38	F	37.8	Very low	37.2	Very low	182 Å²	182	153.8 Å²	153.8	80%	0.798	79%	0.786	S	S	*	*			trans	-75.4	89.7	154.3	-87.8	-86.4	0	0	0	106.9	H36 T40	H36-F38 VanDerWaalsContact C-N 3.31Å; H36-F38 PolarHBondContact O-N 2.98Å; F38-T40 HydrophobicContact CB-CG2 4.4Å; F38-T40 PolarHBondContact O-N 3.4Å
39	L	35.4	Very low	38.6	Very low	159 Å²	159	153.7 Å²	153.7	83%	0.832	78%	0.783	S	S	*	*			trans	-63.8	69.9	156	-75.2	164.3	0	0	0	107.5	K37 T41	K37-L39 PolarHBondContact O-N 3.15Å; K37-L39 VanDerWaalsContact O-N 3.08Å; L39-T41 VanDerWaalsContact C-N 3.34Å; L39-T41 PolarHBondContact O-N 3.34Å; L39-T41 VanDerWaalsContact O-N 3.14Å
40	T	39.3	Very low	40.4	Very low	105 Å²	105	155.8 Å²	155.8	64%	0.644	78%	0.776	S	S	*	*			trans	-70.2	105.9	156.5	50.2	0	0	0	0	104.1	F38 S42	F38-T40 HydrophobicContact CB-CG2 4.4Å; F38-T40 PolarHBondContact O-N 3.4Å; T40-S42 PolarHBondContact O-N 3.44Å
41	T	36.4	Very low	42.7	Very low	113 Å²	113	155.4 Å²	155.4	69%	0.693	78%	0.777	S	S	*	*			trans	-55	90.9	157	46.7	0	0	0	0	105.4	L39 F43	L39-T41 VanDerWaalsContact C-N 3.34Å; L39-T41 PolarHBondContact O-N 3.34Å; L39-T41 VanDerWaalsContact O-N 3.14Å; T41-F43 VanDerWaalsContact C-N 3.25Å; T41-F43 PolarHBondContact O-N 2.7Å
42	S	41.4	Very low	45.3	Very low	99 Å²	99	149.7 Å²	149.7	69%	0.692	75%	0.75	S	S	*	*			trans	-58.9	105.8	165.2	56	0	0	0	0	103.6	T40 R44	T40-S42 PolarHBondContact O-N 3.44Å; S42-R44 PolarHBondContact O-N 3.31Å
43	F	42.9	Very low	48.2	Very low	190 Å²	190	141.6 Å²	141.6	83%	0.833	72%	0.718	S	S	*	*			trans	-58.9	89.8	157.1	-78.2	-87.4	0	0	0	103.7	T41 S45	T41-F43 VanDerWaalsContact C-N 3.25Å; T41-F43 PolarHBondContact O-N 2.7Å; F43-S45 PolarHBondContact O-N 2.72Å
44	R	40.8	Very low	51.1	Low	192 Å²	192	142.3 Å²	142.3	73%	0.725	71%	0.705	S	S	*	*			trans	-66.7	79.3	164.3	-160.6	178.7	-166	178.9	4.1	103.4	S42 Y46	S42-R44 PolarHBondContact O-N 3.31Å; R44-Y46 HydrophobicContact CG-CE2 4.48Å; R44-Y46 WeakPolarHBondContact O-CD2 3.46Å; R44-Y46 PolarHBondContact O-N 2.85Å
45	S	42.1	Very low	54	Low	105 Å²	105	137.8 Å²	137.8	73%	0.734	68%	0.678	S	S	*	*			trans	-61.4	91	167.3	178.1	0	0	0	0	103.8	F43 S47	F43-S45 PolarHBondContact O-N 2.72Å; S45-S47 PolarHBondContact O-N 2.77Å
46	Y	46.5	Very low	57.1	Low	180 Å²	180	127.8 Å²	127.8	71%	0.706	64%	0.64	S	S	*	*			trans	-51.4	106.3	156.8	-76.5	-89.6	0	0	0	103.8	R44 A48	R44-Y46 HydrophobicContact CG-CE2 4.48Å; R44-Y46 WeakPolarHBondContact O-CD2 3.46Å; R44-Y46 PolarHBondContact O-N 2.85Å; Y46-A48 VanDerWaalsContact C-N 3.31Å; Y46-A48 PolarHBondContact O-N 2.8Å
47	S	47	Very low	60	Low	82 Å²	82	120 Å²	120	57%	0.573	60%	0.604	S	S	*	*			trans	-54	105.5	172.1	171.9	0	0	0	0	105.4	S45 K49	S45-S47 PolarHBondContact O-N 2.77Å; S47-K49 PolarHBondContact O-N 3.16Å; S47-K49 WeakPolarHBondContact OG-CG 3.47Å
48	A	52.3	Low	63	Low	105 Å²	105	110.4 Å²	110.4	87%	0.868	56%	0.563	S	S	*	*			trans	-70.6	22.8	179	0	0	0	0	0	111.7	Y46 K50	Y46-A48 VanDerWaalsContact C-N 3.31Å; Y46-A48 PolarHBondContact O-N 2.8Å; A48-K50 PolarHBondContact O-N 3.21Å
49	K	58.3	Low	65.9	Low	173 Å²	173	101.8 Å²	101.8	75%	0.752	53%	0.525	S	S	*	.			trans	-65.1	106.7	167.7	-75.7	-174.5	179.2	-178.5	0	106.4	S47 L51	S47-K49 PolarHBondContact O-N 3.16Å; S47-K49 WeakPolarHBondContact OG-CG 3.47Å; K49-L51 PolarHBondContact O-N 3.28Å
50	K	66.3	Low	68.9	Low	166 Å²	166	94.8 Å²	94.8	72%	0.722	49%	0.488	S	S	*	.			trans	-43.6	117.7	165.5	-175.5	-178.9	178.9	-171.3	0	107.4	A48 L52	A48-K50 PolarHBondContact O-N 3.21Å; K50-L52 PolarHBondContact O-N 2.94Å
51	L	77.1	Confident	71.6	Confident	163 Å²	163	90.2 Å²	90.2	85%	0.853	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-60.1	123.3	175.1	-72.5	170.1	0	0	0	107.2	K49	K49-L51 PolarHBondContact O-N 3.28Å
52	L	84	Confident	74.3	Confident	65 Å²	65	85 Å²	85	34%	0.34	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-68.1	140	175.9	-62.7	177.9	0	0	0	108.4	K50 R54 T217 E219	K50-L52 PolarHBondContact O-N 2.94Å; L52-R54 PolarHBondContact O-N 3.05Å; L52-T217 HydrophobicContact CD1-CG2 4.16Å; L52-T217 HydrophobicContact CD2-CG2 4.49Å; L52-E219 HydrophobicContact CB-CG 3.99Å; L52-E219 HydrophobicContact CD1-CG 3.81Å
53	P	92.6	Very high	76.8	Confident	35 Å²	35	81.7 Å²	81.7	23%	0.227	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-55.7	133.4	169.5	-18.3	27.7	0	0	0	110	Y55 E216 T217 V218 E219	P53-Y55 HydrophobicContact CB-CE2 4.29Å; P53-E216 HydrophobicContact CG-CG 3.97Å; P53-E216 WeakPolarHBondContact CG-OE1 3.28Å; P53-T217 WeakPolarHBondContact CD-O 3.34Å; P53-V218 HydrophobicContact CB-CG1 4.17Å; P53-V218 HydrophobicContact CG-CG1 4.39Å; P53-V218 WeakPolarHBondContact O-CA 3.37Å; P53-E219 PolarHBondContact O-N 3.43Å
54	R	94.6	Very high	79.3	Confident	134 Å²	134	74 Å²	74	51%	0.506	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.4	-179.7	-178.7	177.2	173.5	175.2	-0	110.3	L52 E219 D221	L52-R54 PolarHBondContact O-N 3.05Å; R54-E219 WeakPolarHBondContact CA-O 3.28Å; R54-D221 IonicContact CZ-OD2 2.79Å; R54-D221 IonicContact NE-OD2 2.82Å; R54-D221 IonicContact NH2-OD1 2.73Å; R54-D221 IonicContact NH2-OD2 3.57Å; R54-D221 PolarHBondContact NH2-OD2 2.85Å
55	Y	96.4	Very high	81.9	Confident	46 Å²	46	65.8 Å²	65.8	18%	0.18	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	152.6	169.3	-66.4	-87.9	0	0	0	108.9	P53 N83 L85 V218 E219 T220	P53-Y55 HydrophobicContact CB-CE2 4.29Å; Y55-N83 HydrophobicContact CD1-CB 4Å; Y55-L85 HydrophobicContact CD1-CB 3.62Å; Y55-L85 HydrophobicContact CD2-CB 4.02Å; Y55-L85 HydrophobicContact CD2-CD2 3.82Å; Y55-L85 HydrophobicContact CD2-CG 4.47Å; Y55-L85 HydrophobicContact CE1-CB 3.89Å; Y55-L85 HydrophobicContact CE1-CD1 4.21Å; Y55-L85 HydrophobicContact CE1-CG 4.5Å; Y55-L85 HydrophobicContact CE2-CB 4.27Å; Y55-L85 HydrophobicContact CE2-CD1 4.38Å; Y55-L85 HydrophobicContact CE2-CD2 3.73Å; Y55-L85 HydrophobicContact CE2-CG 4.37Å; Y55-L85 HydrophobicContact CG-CB 3.68Å; Y55-L85 HydrophobicContact CG-CD2 4.36Å; Y55-V218 HydrophobicContact CD2-CB 4.42Å; Y55-V218 HydrophobicContact CE2-CG1 4.33Å; Y55-E219 PolarHBondContact N-O 2.86Å; Y55-T220 VanDerWaalsContact O-CA 3.27Å; Y55-T220 WeakPolarHBondContact O-CA 3.03Å; Y55-T220 PolarHBondContact O-OG1 3.21Å
56	D	96.5	Very high	84.6	Confident	21 Å²	21	60.8 Å²	60.8	11%	0.112	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-42.4	172.2	-71.2	-86.4	0	0	0	109.7	K82 N83 T220 D221 L222 I434	D56-K82 HydrophobicContact CB-CB 3.85Å; D56-K82 HydrophobicContact CB-CD 3.8Å; D56-K82 HydrophobicContact CB-CG 4.41Å; D56-K82 WeakPolarHBondContact OD1-CD 3.42Å; D56-K82 IonicContact OD1-NZ 2.82Å; D56-K82 PolarHBondContact OD1-NZ 3.15Å; D56-K82 WeakPolarHBondContact OD2-CA 3.34Å; D56-N83 PolarHBondContact N-O 2.91Å; D56-N83 PolarHBondContact OD2-N 3.49Å; D56-T220 PolarHBondContact O-OG1 3.02Å; D56-D221 WeakPolarHBondContact O-CB 3.43Å; D56-D221 PolarHBondContact O-N 2.71Å; D56-L222 PolarHBondContact O-N 3.08Å; D56-I434 HydrophobicContact CB-CD1 3.85Å; D56-I434 WeakPolarHBondContact O-CD1 3.15Å
57	I	97.5	Very high	86.9	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.9	-179.4	-55	174.7	0	0	0	109.1	I59 L79 N83 I84 L85 L222 V224 L424 I434	I57-I59 HydrophobicContact CG2-CG1 4.02Å; I57-L79 HydrophobicContact CD1-CD2 4.49Å; I57-N83 PolarHBondContact N-O 3.01Å; I57-N83 VanDerWaalsContact N-O 3.12Å; I57-I84 HydrophobicContact CB-CG1 4.29Å; I57-I84 HydrophobicContact CB-CG2 4.36Å; I57-I84 HydrophobicContact CD1-CD1 4.44Å; I57-I84 HydrophobicContact CD1-CG1 4.42Å; I57-I84 CarbonylContact O-C 3.54Å; I57-I84 WeakPolarHBondContact O-CA 3.47Å; I57-L85 PolarHBondContact O-N 3.02Å; I57-L222 WeakPolarHBondContact CA-O 3.33Å; I57-L222 HydrophobicContact CG1-CB 4.5Å; I57-L222 HydrophobicContact CG1-CD2 4.47Å; I57-V224 HydrophobicContact CG2-CG2 3.95Å; I57-L424 HydrophobicContact CD1-CD1 4.28Å; I57-I434 HydrophobicContact CD1-CD1 4.3Å; I57-I434 HydrophobicContact CG1-CD1 3.67Å
58	V	98	Very high	89.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.2	168.7	177.9	0	0	0	0	108.8	V60 L85 L87 L205 T220 L222 L223 V224	V58-V60 HydrophobicContact CG1-CG2 4.45Å; V58-L85 CarbonylContact C-O 3.39Å; V58-L85 WeakPolarHBondContact CA-O 3.23Å; V58-L85 HydrophobicContact CG1-CD2 4.37Å; V58-L85 HydrophobicContact CG2-CB 4.11Å; V58-L85 HydrophobicContact CG2-CD2 4.24Å; V58-L87 HydrophobicContact CG1-CD1 4.15Å; V58-L87 HydrophobicContact CG1-CG 4.37Å; V58-L205 HydrophobicContact CG1-CD1 4.03Å; V58-L205 HydrophobicContact CG2-CD2 4.44Å; V58-T220 HydrophobicContact CB-CG2 4.11Å; V58-T220 VanDerWaalsContact CG2-CB 3.48Å; V58-T220 HydrophobicContact CG2-CG2 3.89Å; V58-T220 PolarHBondContact N-OG1 2.78Å; V58-L222 PolarHBondContact N-O 2.71Å; V58-L223 HydrophobicContact CB-CD1 4.14Å; V58-L223 HydrophobicContact CG1-CD1 4.09Å; V58-L223 CarbonylContact O-C 3.53Å; V58-V224 PolarHBondContact O-N 2.79Å
59	I	98.2	Very high	91.4	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.8	178.1	-54.7	168.6	0	0	0	107.8	I57 L69 A70 I84 L85 L86 L87 V224 A226	I57-I59 HydrophobicContact CG2-CG1 4.02Å; I59-L69 HydrophobicContact CD1-CB 4.16Å; I59-L69 HydrophobicContact CD1-CD2 3.79Å; I59-L69 HydrophobicContact CD1-CG 3.79Å; I59-L69 HydrophobicContact CG1-CD2 3.92Å; I59-L69 HydrophobicContact CG1-CG 4.47Å; I59-L69 HydrophobicContact CG2-CD2 4.24Å; I59-A70 HydrophobicContact CD1-CB 3.99Å; I59-I84 HydrophobicContact CD1-CG2 3.83Å; I59-I84 HydrophobicContact CG1-CG2 4.36Å; I59-L85 PolarHBondContact N-O 2.91Å; I59-L86 HydrophobicContact CB-CD1 3.65Å; I59-L86 HydrophobicContact CG2-CD1 3.5Å; I59-L86 VanDerWaalsContact CG2-CD1 3.5Å; I59-L87 PolarHBondContact O-N 3.16Å; I59-V224 HydrophobicContact CG1-CB 4.28Å; I59-V224 HydrophobicContact CG1-CG2 4.48Å; I59-A226 HydrophobicContact CG2-CB 4.02Å
60	V	97.8	Very high	93.2	Very high	11 Å²	11	35.5 Å²	35.5	7%	0.067	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	111.8	178.2	-173.6	0	0	0	0	108.9	V58 L87 A188 L223 V224 A226 D227 V233	V58-V60 HydrophobicContact CG1-CG2 4.45Å; V60-L87 HydrophobicContact CG2-CD1 4.45Å; V60-A188 HydrophobicContact CG1-CB 3.96Å; V60-A188 HydrophobicContact CG2-CB 3.91Å; V60-L223 HydrophobicContact CG2-CD1 3.65Å; V60-V224 PolarHBondContact N-O 3.07Å; V60-A226 CarbonylContact O-C 3.48Å; V60-A226 VanDerWaalsContact O-CA 3.25Å; V60-A226 WeakPolarHBondContact O-CA 3.48Å; V60-A226 PolarHBondContact O-N 3.44Å; V60-D227 HydrophobicContact CG1-CB 4.14Å; V60-D227 PolarHBondContact O-N 3.16Å; V60-V233 HydrophobicContact CB-CG2 3.89Å; V60-V233 HydrophobicContact CG1-CG2 4.31Å; V60-V233 HydrophobicContact CG2-CG2 3.85Å
61	G	96.5	Very high	94.6	Very high	10 Å²	10	27.6 Å²	27.6	10%	0.103	15%	0.145	C	C	.	.			trans	107.1	114.9	-179.1	0	0	0	0	0	112.2	G66 L87	G61-G66 WeakPolarHBondContact O-CA 3.49Å; G61-L87 CarbonylContact C-O 3.45Å; G61-L87 WeakPolarHBondContact CA-O 3.3Å; G61-L87 PolarHBondContact N-O 2.94Å
62	G	93.3	Very high	95.4	Very high	4 Å²	4	21 Å²	21	4%	0.041	11%	0.112	C	C	.	.			trans	-98.6	53.3	174.7	0	0	0	0	0	112.2	F67 L87 E88	G62-F67 WeakPolarHBondContact O-CD2 3.13Å; G62-F67 WeakPolarHBondContact O-CE2 3.43Å; G62-L87 PolarHBondContact N-O 3.26Å; G62-E88 VanDerWaalsContact C-OE2 3.24Å; G62-E88 WeakPolarHBondContact CA-OE2 3.45Å; G62-E88 PolarHBondContact N-OE2 2.82Å
63	G	94	Very high	96	Very high	29 Å²	29	18 Å²	18	30%	0.299	10%	0.097	S	C	.	.	S	Bend	trans	-80.8	-169.4	165.2	0	0	0	0	0	112.1	V65 G66 F67	G63-V65 VanDerWaalsContact C-N 3.28Å; G63-V65 PolarHBondContact O-N 2.85Å; G63-G66 PolarHBondContact O-N 2.64Å; G63-F67 WeakPolarHBondContact O-CD2 3.18Å; G63-F67 PolarHBondContact O-N 3.19Å
64	M	94.8	Very high	96	Very high	28 Å²	28	17.2 Å²	17.2	14%	0.138	9%	0.093	C	C	.	.	H	α-helix	trans	-52.4	-47.4	172.6	-70.9	174.3	-77.6	0	0	111.6	G68 V106 N160 V163 I164 V410 F414	M64-G68 WeakPolarHBondContact O-CA 3.47Å; M64-G68 PolarHBondContact O-N 3.2Å; M64-V106 HydrophobicContact CE-CG1 4.06Å; M64-V106 HydrophobicContact SD-CG1 3.96Å; M64-V106 HydrophobicContact SD-CG2 4.31Å; M64-N160 HydrophobicContact CE-CB 4.37Å; M64-N160 WeakPolarHBondContact CE-ND2 3.24Å; M64-N160 HydrophobicContact SD-CB 4.23Å; M64-V163 HydrophobicContact CG-CB 4.37Å; M64-V163 HydrophobicContact CG-CG1 4.16Å; M64-V163 HydrophobicContact SD-CB 4.49Å; M64-I164 HydrophobicContact CB-CG1 4.47Å; M64-I164 HydrophobicContact CG-CD1 4.09Å; M64-I164 HydrophobicContact CG-CG1 3.57Å; M64-V410 HydrophobicContact CB-CG1 4.3Å; M64-V410 HydrophobicContact CE-CG1 4.43Å; M64-V410 HydrophobicContact CE-CG2 3.46Å; M64-V410 VanDerWaalsContact CE-CG2 3.46Å; M64-V410 HydrophobicContact SD-CG1 4.01Å; M64-V410 HydrophobicContact SD-CG2 4.03Å; M64-F414 HydrophobicContact CB-CE1 4.49Å; M64-F414 HydrophobicContact CB-CZ 4.22Å; M64-F414 WeakPolarHBondContact O-CE1 3.44Å
65	V	96.7	Very high	95.8	Very high	20 Å²	20	13.7 Å²	13.7	12%	0.121	9%	0.092	C	C	.	.	H	α-helix	trans	-69	-40.6	-179.1	-177.9	0	0	0	0	111.8	G63 G68 L69 V395 V417	G63-V65 VanDerWaalsContact C-N 3.28Å; G63-V65 PolarHBondContact O-N 2.85Å; V65-G68 PolarHBondContact O-N 2.88Å; V65-L69 WeakPolarHBondContact O-CB 3.45Å; V65-L69 PolarHBondContact O-N 2.93Å; V65-V395 HydrophobicContact CG1-CB 3.95Å; V65-V395 HydrophobicContact CG1-CG2 3.63Å; V65-V417 HydrophobicContact CG1-CG2 3.75Å
66	G	97.1	Very high	95.6	Very high	0 Å²	0	12 Å²	12	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-69	-47.9	-179	0	0	0	0	0	113.6	G61 G63 G68 L69 A70	G61-G66 WeakPolarHBondContact O-CA 3.49Å; G63-G66 PolarHBondContact O-N 2.64Å; G66-G68 VanDerWaalsContact C-N 3.3Å; G66-G68 PolarHBondContact O-N 3.25Å; G66-L69 PolarHBondContact O-N 3.01Å; G66-A70 PolarHBondContact O-N 2.97Å
67	F	96.4	Very high	95.2	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.018	12%	0.122	C	C	.	.	H	α-helix	trans	-63.9	-38	171.4	-79.1	-62.1	0	0	0	111.6	G62 G63 L69 A70 A71 L86 I164 L167 R168 L171 I182 Y184	G62-F67 WeakPolarHBondContact O-CD2 3.13Å; G62-F67 WeakPolarHBondContact O-CE2 3.43Å; G63-F67 WeakPolarHBondContact O-CD2 3.18Å; G63-F67 PolarHBondContact O-N 3.19Å; F67-L69 VanDerWaalsContact C-N 3.33Å; F67-L69 PolarHBondContact O-N 3.04Å; F67-A70 PolarHBondContact O-N 2.73Å; F67-A71 WeakPolarHBondContact O-CB 3.45Å; F67-A71 PolarHBondContact O-N 2.75Å; F67-L86 HydrophobicContact CD1-CD2 3.29Å; F67-L86 HydrophobicContact CE1-CD2 3.39Å; F67-L86 HydrophobicContact CG-CD2 4.09Å; F67-L86 HydrophobicContact CZ-CD2 4.26Å; F67-I164 HydrophobicContact CD2-CG2 3.79Å; F67-I164 HydrophobicContact CE2-CG2 3.77Å; F67-L167 HydrophobicContact CB-CB 3.81Å; F67-L167 HydrophobicContact CB-CD1 4.1Å; F67-R168 HydrophobicContact CE1-CB 4.31Å; F67-R168 HydrophobicContact CE1-CG 4.1Å; F67-R168 HydrophobicContact CZ-CB 4.41Å; F67-R168 HydrophobicContact CZ-CG 4.08Å; F67-L171 HydrophobicContact CD1-CD1 3.78Å; F67-I182 HydrophobicContact CE1-CD1 4.28Å; F67-I182 HydrophobicContact CE1-CG2 4.31Å; F67-Y184 HydrophobicContact CZ-CE1 4.16Å
68	G	96.6	Very high	94.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.7	-43.6	174.5	0	0	0	0	0	112	M64 V65 G66 A71 V72	M64-G68 WeakPolarHBondContact O-CA 3.47Å; M64-G68 PolarHBondContact O-N 3.2Å; V65-G68 PolarHBondContact O-N 2.88Å; G66-G68 VanDerWaalsContact C-N 3.3Å; G66-G68 PolarHBondContact O-N 3.25Å; G68-A71 PolarHBondContact O-N 3.13Å; G68-V72 WeakPolarHBondContact O-CG2 3.21Å; G68-V72 PolarHBondContact O-N 3.13Å
69	L	97.2	Very high	94.5	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-62.3	-48.7	176	-176.7	60.7	0	0	0	112	I59 V65 G66 F67 A71 V72 A73 V224 V395 V417 L420 V421	I59-L69 HydrophobicContact CD1-CB 4.16Å; I59-L69 HydrophobicContact CD1-CD2 3.79Å; I59-L69 HydrophobicContact CD1-CG 3.79Å; I59-L69 HydrophobicContact CG1-CD2 3.92Å; I59-L69 HydrophobicContact CG1-CG 4.47Å; I59-L69 HydrophobicContact CG2-CD2 4.24Å; V65-L69 WeakPolarHBondContact O-CB 3.45Å; V65-L69 PolarHBondContact O-N 2.93Å; G66-L69 PolarHBondContact O-N 3.01Å; F67-L69 VanDerWaalsContact C-N 3.33Å; F67-L69 PolarHBondContact O-N 3.04Å; L69-A71 VanDerWaalsContact C-N 3.29Å; L69-A71 PolarHBondContact O-N 3.48Å; L69-V72 PolarHBondContact O-N 3.11Å; L69-A73 WeakPolarHBondContact O-CB 3.4Å; L69-A73 PolarHBondContact O-N 2.86Å; L69-V224 HydrophobicContact CD2-CB 4.02Å; L69-V224 HydrophobicContact CD2-CG1 3.39Å; L69-V224 HydrophobicContact CD2-CG2 4.13Å; L69-V395 HydrophobicContact CD2-CG2 4.49Å; L69-V417 HydrophobicContact CB-CG1 4.2Å; L69-V417 HydrophobicContact CB-CG2 3.86Å; L69-V417 HydrophobicContact CD1-CB 4.39Å; L69-V417 HydrophobicContact CD1-CG1 3.93Å; L69-V417 HydrophobicContact CD1-CG2 4.27Å; L69-L420 HydrophobicContact CD1-CD2 4.2Å; L69-L420 HydrophobicContact CD2-CD2 4.33Å; L69-V421 HydrophobicContact CD1-CG2 3.72Å
70	A	95.9	Very high	93.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.6	-41.9	178	0	0	0	0	0	111.5	I59 G66 F67 A74 L86 L171 V180	I59-A70 HydrophobicContact CD1-CB 3.99Å; G66-A70 PolarHBondContact O-N 2.97Å; F67-A70 PolarHBondContact O-N 2.73Å; A70-A74 VanDerWaalsContact O-CB 3.3Å; A70-A74 WeakPolarHBondContact O-CB 3.48Å; A70-A74 PolarHBondContact O-N 3.17Å; A70-L86 HydrophobicContact CB-CD2 4.12Å; A70-L171 HydrophobicContact CB-CD1 3.81Å; A70-L171 HydrophobicContact CB-CD2 4.32Å; A70-V180 HydrophobicContact CB-CG1 4.28Å
71	A	95	Very high	93.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.8	-44.8	-179.7	0	0	0	0	0	112.9	F67 G68 L69 A73 A74 A75 I119 L167 L171	F67-A71 WeakPolarHBondContact O-CB 3.45Å; F67-A71 PolarHBondContact O-N 2.75Å; G68-A71 PolarHBondContact O-N 3.13Å; L69-A71 VanDerWaalsContact C-N 3.29Å; L69-A71 PolarHBondContact O-N 3.48Å; A71-A73 VanDerWaalsContact C-N 3.35Å; A71-A74 PolarHBondContact O-N 2.88Å; A71-A75 WeakPolarHBondContact O-CB 3.45Å; A71-A75 PolarHBondContact O-N 3.18Å; A71-I119 HydrophobicContact CB-CD1 4.12Å; A71-I119 HydrophobicContact CB-CG2 3.86Å; A71-L167 HydrophobicContact CB-CD2 3.98Å; A71-L171 HydrophobicContact CB-CD1 4.48Å; A71-L171 HydrophobicContact CB-CD2 4.17Å; A71-L171 HydrophobicContact CB-CG 4.24Å
72	V	95.2	Very high	93.1	Very high	25 Å²	25	36.6 Å²	36.6	15%	0.152	20%	0.198	C	C	.	.	H	α-helix	trans	-65.8	-39.9	175.7	178.2	0	0	0	0	111.1	G68 L69 A74 A75 S76 M115 I119 V417 V421	G68-V72 WeakPolarHBondContact O-CG2 3.21Å; G68-V72 PolarHBondContact O-N 3.13Å; L69-V72 PolarHBondContact O-N 3.11Å; V72-A74 VanDerWaalsContact C-N 3.34Å; V72-A74 PolarHBondContact O-N 2.96Å; V72-A75 PolarHBondContact O-N 3.33Å; V72-S76 PolarHBondContact O-N 3.38Å; V72-S76 VanDerWaalsContact O-N 3.07Å; V72-M115 HydrophobicContact CG2-CE 3.38Å; V72-M115 HydrophobicContact CG2-CG 3.9Å; V72-M115 HydrophobicContact CG2-SD 4.21Å; V72-I119 HydrophobicContact CG2-CD1 3.5Å; V72-I119 HydrophobicContact CG2-CG1 3.94Å; V72-V417 HydrophobicContact CB-CG1 3.97Å; V72-V417 HydrophobicContact CG1-CG1 4.47Å; V72-V417 HydrophobicContact CG2-CG1 3.92Å; V72-V421 HydrophobicContact CB-CG2 4.26Å; V72-V421 HydrophobicContact CG1-CB 3.96Å; V72-V421 HydrophobicContact CG1-CG1 3.93Å; V72-V421 HydrophobicContact CG1-CG2 3.84Å
73	A	94.6	Very high	93.1	Very high	3 Å²	3	40.3 Å²	40.3	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-67.1	-34.2	176.8	0	0	0	0	0	112.5	L69 A71 S76 L79 I84 V421	L69-A73 WeakPolarHBondContact O-CB 3.4Å; L69-A73 PolarHBondContact O-N 2.86Å; A71-A73 VanDerWaalsContact C-N 3.35Å; A73-S76 WeakPolarHBondContact O-CB 3.46Å; A73-S76 PolarHBondContact O-N 2.93Å; A73-L79 HydrophobicContact CB-CD1 4Å; A73-L79 WeakPolarHBondContact O-CB 3.45Å; A73-I84 HydrophobicContact CB-CD1 3.44Å; A73-I84 VanDerWaalsContact CB-CD1 3.44Å; A73-V421 HydrophobicContact CB-CG2 4.33Å
74	A	92.8	Very high	93.2	Very high	17 Å²	17	38.9 Å²	38.9	14%	0.14	20%	0.203	C	C	.	.	H	α-helix	trans	-68.4	-37.5	173.5	0	0	0	0	0	112.6	A70 A71 V72 S76 L171 I174 V180	A70-A74 VanDerWaalsContact O-CB 3.3Å; A70-A74 WeakPolarHBondContact O-CB 3.48Å; A70-A74 PolarHBondContact O-N 3.17Å; A71-A74 PolarHBondContact O-N 2.88Å; V72-A74 VanDerWaalsContact C-N 3.34Å; V72-A74 PolarHBondContact O-N 2.96Å; A74-S76 VanDerWaalsContact C-N 3.29Å; A74-S76 PolarHBondContact O-N 3.2Å; A74-L171 HydrophobicContact CB-CD2 4.26Å; A74-I174 HydrophobicContact CB-CD1 3.73Å; A74-V180 HydrophobicContact CB-CG2 3.73Å
75	A	91.3	Very high	93.3	Very high	60 Å²	60	37.6 Å²	37.6	50%	0.496	20%	0.196	S	C	.	.	H	α-helix	trans	-73.7	-19.6	177.8	0	0	0	0	0	113.3	A71 V72	A71-A75 WeakPolarHBondContact O-CB 3.45Å; A71-A75 PolarHBondContact O-N 3.18Å; V72-A75 PolarHBondContact O-N 3.33Å
76	S	92	Very high	93.4	Very high	10 Å²	10	36.7 Å²	36.7	7%	0.07	19%	0.19	C	C	.	.			trans	-66.1	132.6	178.2	168.5	0	0	0	0	112.1	V72 A73 A74 F78 L79 G80 E425	V72-S76 PolarHBondContact O-N 3.38Å; V72-S76 VanDerWaalsContact O-N 3.07Å; A73-S76 WeakPolarHBondContact O-CB 3.46Å; A73-S76 PolarHBondContact O-N 2.93Å; A74-S76 VanDerWaalsContact C-N 3.29Å; A74-S76 PolarHBondContact O-N 3.2Å; S76-F78 VanDerWaalsContact C-N 3.29Å; S76-F78 PolarHBondContact O-N 3.41Å; S76-F78 PolarHBondContact OG-N 3.07Å; S76-L79 PolarHBondContact OG-N 3.13Å; S76-L79 VanDerWaalsContact OG-N 3.11Å; S76-G80 WeakPolarHBondContact O-CA 3.48Å; S76-G80 PolarHBondContact O-N 2.91Å; S76-E425 WeakPolarHBondContact CB-OE1 3.26Å; S76-E425 WeakPolarHBondContact OG-CG 3.29Å; S76-E425 PolarHBondContact OG-OE1 2.84Å
77	K	89.2	Confident	93.3	Very high	195 Å²	195	36.8 Å²	36.8	85%	0.848	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-30.1	175.8	-64.5	-178.8	-178.5	176.8	0	113
78	F	89.8	Confident	93.3	Very high	87 Å²	87	37.6 Å²	37.6	38%	0.382	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-34.3	-178.3	-59.6	-77.6	0	0	0	111.9	S76 E425 V428 F429	S76-F78 VanDerWaalsContact C-N 3.29Å; S76-F78 PolarHBondContact O-N 3.41Å; S76-F78 PolarHBondContact OG-N 3.07Å; F78-E425 HydrophobicContact CB-CB 4.28Å; F78-E425 HydrophobicContact CB-CG 4.13Å; F78-E425 HydrophobicContact CD2-CB 3.79Å; F78-E425 HydrophobicContact CD2-CG 3.9Å; F78-E425 HydrophobicContact CG-CB 4.32Å; F78-E425 HydrophobicContact CG-CG 4.45Å; F78-V428 HydrophobicContact CB-CB 4.32Å; F78-V428 HydrophobicContact CB-CG1 4.13Å; F78-F429 HydrophobicContact CE1-CB 4.35Å; F78-F429 AromaticContact CE1-CD2 3.79Å; F78-F429 HydrophobicContact CE1-CD2 3.79Å; F78-F429 HydrophobicContact CZ-CD2 4.09Å
79	L	90.8	Very high	93.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-14	178	-57.2	178.9	0	0	0	113.6	I57 A73 S76 K81 K82 N179 V421 L424 E425 V428 I434	I57-L79 HydrophobicContact CD1-CD2 4.49Å; A73-L79 HydrophobicContact CB-CD1 4Å; A73-L79 WeakPolarHBondContact O-CB 3.45Å; S76-L79 PolarHBondContact OG-N 3.13Å; S76-L79 VanDerWaalsContact OG-N 3.11Å; L79-K81 PolarHBondContact O-N 3.35Å; L79-K82 HydrophobicContact CD2-CG 4.24Å; L79-K82 VanDerWaalsContact O-CB 3.23Å; L79-K82 WeakPolarHBondContact O-CB 3.27Å; L79-K82 PolarHBondContact O-N 2.8Å; L79-N179 PolarHBondContact O-ND2 2.7Å; L79-V421 HydrophobicContact CD1-CG1 3.89Å; L79-L424 HydrophobicContact CD1-CB 4.13Å; L79-L424 HydrophobicContact CD1-CD1 4.35Å; L79-L424 HydrophobicContact CD2-CB 4.21Å; L79-E425 HydrophobicContact CG-CG 4.49Å; L79-V428 HydrophobicContact CD2-CG2 4.04Å; L79-I434 HydrophobicContact CD2-CG2 4.46Å
80	G	83.5	Confident	92.8	Very high	30 Å²	30	42.2 Å²	42.2	31%	0.309	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-14.2	179.3	0	0	0	0	0	115.5	S76 N179	S76-G80 WeakPolarHBondContact O-CA 3.48Å; S76-G80 PolarHBondContact O-N 2.91Å; G80-N179 WeakPolarHBondContact O-CB 3.24Å; G80-N179 PolarHBondContact O-ND2 2.78Å; G80-N179 PolarHBondContact O-OD1 2.96Å
81	K	85.6	Confident	92.4	Very high	195 Å²	195	43.7 Å²	43.7	85%	0.848	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	0.5	173.5	-64	-175.8	-179.1	178.5	0	114	L79	L79-K81 PolarHBondContact O-N 3.35Å
82	K	92.6	Very high	91.8	Very high	57 Å²	57	48.4 Å²	48.4	25%	0.248	26%	0.263	C	S	.	.	S	Bend	trans	-99.8	130.5	-172.8	-66.3	-67.2	-172.5	178.8	0	111.1	D56 L79 I84 N179	D56-K82 HydrophobicContact CB-CB 3.85Å; D56-K82 HydrophobicContact CB-CD 3.8Å; D56-K82 HydrophobicContact CB-CG 4.41Å; D56-K82 WeakPolarHBondContact OD1-CD 3.42Å; D56-K82 IonicContact OD1-NZ 2.82Å; D56-K82 PolarHBondContact OD1-NZ 3.15Å; D56-K82 WeakPolarHBondContact OD2-CA 3.34Å; L79-K82 HydrophobicContact CD2-CG 4.24Å; L79-K82 VanDerWaalsContact O-CB 3.23Å; L79-K82 WeakPolarHBondContact O-CB 3.27Å; L79-K82 PolarHBondContact O-N 2.8Å; K82-I84 WeakPolarHBondContact O-CG1 3.23Å; K82-I84 PolarHBondContact O-N 3.16Å; K82-N179 VanDerWaalsContact O-CB 3.25Å; K82-N179 WeakPolarHBondContact O-CB 3.48Å; K82-N179 PolarHBondContact O-ND2 2.79Å
83	N	94.9	Very high	91	Very high	82 Å²	82	53.6 Å²	53.6	44%	0.439	28%	0.283	S	S	.	.			trans	-72.7	118.1	-179.9	-64.6	-35.5	0	0	0	110.4	Y55 D56 I57	Y55-N83 HydrophobicContact CD1-CB 4Å; D56-N83 PolarHBondContact N-O 2.91Å; D56-N83 PolarHBondContact OD2-N 3.49Å; I57-N83 PolarHBondContact N-O 3.01Å; I57-N83 VanDerWaalsContact N-O 3.12Å
84	I	96.1	Very high	90	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.8	-179.3	-52.7	-177.9	0	0	0	109	I57 I59 A73 K82 N179 V180 T181	I57-I84 HydrophobicContact CB-CG1 4.29Å; I57-I84 HydrophobicContact CB-CG2 4.36Å; I57-I84 HydrophobicContact CD1-CD1 4.44Å; I57-I84 HydrophobicContact CD1-CG1 4.42Å; I57-I84 CarbonylContact O-C 3.54Å; I57-I84 WeakPolarHBondContact O-CA 3.47Å; I59-I84 HydrophobicContact CD1-CG2 3.83Å; I59-I84 HydrophobicContact CG1-CG2 4.36Å; A73-I84 HydrophobicContact CB-CD1 3.44Å; A73-I84 VanDerWaalsContact CB-CD1 3.44Å; K82-I84 WeakPolarHBondContact O-CG1 3.23Å; K82-I84 PolarHBondContact O-N 3.16Å; I84-N179 PolarHBondContact N-O 2.95Å; I84-V180 HydrophobicContact CB-CG2 4.19Å; I84-V180 HydrophobicContact CD1-CG2 4.31Å; I84-V180 CarbonylContact O-C 3.59Å; I84-V180 WeakPolarHBondContact O-CA 3.31Å; I84-T181 PolarHBondContact O-N 3.46Å
85	L	96.7	Very high	88.9	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.4	171.6	-179.3	64.6	0	0	0	109.6	Y55 I57 V58 I59 L87 T181 L183 V207 V218	Y55-L85 HydrophobicContact CD1-CB 3.62Å; Y55-L85 HydrophobicContact CD2-CB 4.02Å; Y55-L85 HydrophobicContact CD2-CD2 3.82Å; Y55-L85 HydrophobicContact CD2-CG 4.47Å; Y55-L85 HydrophobicContact CE1-CB 3.89Å; Y55-L85 HydrophobicContact CE1-CD1 4.21Å; Y55-L85 HydrophobicContact CE1-CG 4.5Å; Y55-L85 HydrophobicContact CE2-CB 4.27Å; Y55-L85 HydrophobicContact CE2-CD1 4.38Å; Y55-L85 HydrophobicContact CE2-CD2 3.73Å; Y55-L85 HydrophobicContact CE2-CG 4.37Å; Y55-L85 HydrophobicContact CG-CB 3.68Å; Y55-L85 HydrophobicContact CG-CD2 4.36Å; I57-L85 PolarHBondContact O-N 3.02Å; V58-L85 CarbonylContact C-O 3.39Å; V58-L85 WeakPolarHBondContact CA-O 3.23Å; V58-L85 HydrophobicContact CG1-CD2 4.37Å; V58-L85 HydrophobicContact CG2-CB 4.11Å; V58-L85 HydrophobicContact CG2-CD2 4.24Å; I59-L85 PolarHBondContact N-O 2.91Å; L85-L87 HydrophobicContact CD1-CD2 4.23Å; L85-L87 HydrophobicContact CD2-CD2 3.85Å; L85-L87 HydrophobicContact CD2-CG 4.49Å; L85-L87 HydrophobicContact CG-CD2 3.83Å; L85-L87 HydrophobicContact CG-CG 4.41Å; L85-T181 CarbonylContact C-O 3.52Å; L85-T181 WeakPolarHBondContact CA-O 3.34Å; L85-T181 HydrophobicContact CD1-CG2 3.91Å; L85-L183 HydrophobicContact CD1-CD1 3.78Å; L85-L183 HydrophobicContact CD1-CG 3.82Å; L85-V207 HydrophobicContact CD2-CG2 4.4Å; L85-V218 HydrophobicContact CD2-CG2 4.44Å
86	L	97	Very high	88	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.7	171.7	178.9	65.5	0	0	0	109.7	I59 F67 A70 T181 I182 L183	I59-L86 HydrophobicContact CB-CD1 3.65Å; I59-L86 HydrophobicContact CG2-CD1 3.5Å; I59-L86 VanDerWaalsContact CG2-CD1 3.5Å; F67-L86 HydrophobicContact CD1-CD2 3.29Å; F67-L86 HydrophobicContact CE1-CD2 3.39Å; F67-L86 HydrophobicContact CG-CD2 4.09Å; F67-L86 HydrophobicContact CZ-CD2 4.26Å; A70-L86 HydrophobicContact CB-CD2 4.12Å; L86-T181 PolarHBondContact N-O 3.34Å; L86-I182 HydrophobicContact CB-CG1 4.43Å; L86-I182 HydrophobicContact CD2-CG1 4.41Å; L86-I182 HydrophobicContact CD2-CG2 4.41Å; L86-L183 PolarHBondContact O-N 3.18Å
87	L	96.8	Very high	87	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.01	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.8	175.8	-54.8	-179.1	0	0	0	109.6	V58 I59 V60 G61 G62 L85 L183 A186 A188 L205 V207	V58-L87 HydrophobicContact CG1-CD1 4.15Å; V58-L87 HydrophobicContact CG1-CG 4.37Å; I59-L87 PolarHBondContact O-N 3.16Å; V60-L87 HydrophobicContact CG2-CD1 4.45Å; G61-L87 CarbonylContact C-O 3.45Å; G61-L87 WeakPolarHBondContact CA-O 3.3Å; G61-L87 PolarHBondContact N-O 2.94Å; G62-L87 PolarHBondContact N-O 3.26Å; L85-L87 HydrophobicContact CD1-CD2 4.23Å; L85-L87 HydrophobicContact CD2-CD2 3.85Å; L85-L87 HydrophobicContact CD2-CG 4.49Å; L85-L87 HydrophobicContact CG-CD2 3.83Å; L85-L87 HydrophobicContact CG-CG 4.41Å; L87-L183 HydrophobicContact CD2-CB 4.03Å; L87-L183 HydrophobicContact CD2-CD1 3.92Å; L87-L183 HydrophobicContact CD2-CG 4.38Å; L87-A186 HydrophobicContact CD2-CB 4.15Å; L87-A188 HydrophobicContact CD1-CB 4.09Å; L87-L205 HydrophobicContact CD1-CD1 4.25Å; L87-V207 HydrophobicContact CD1-CG1 4.34Å; L87-V207 HydrophobicContact CD1-CG2 3.98Å; L87-V207 HydrophobicContact CD2-CG1 3.69Å; L87-V207 HydrophobicContact CD2-CG2 4.2Å
88	E	95.3	Very high	86.7	Confident	21 Å²	21	66.1 Å²	66.1	10%	0.098	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.6	171.7	176.2	41.5	-139.8	0	0	110.9	G62 S90 L183 Y184 E185 A186	G62-E88 VanDerWaalsContact C-OE2 3.24Å; G62-E88 WeakPolarHBondContact CA-OE2 3.45Å; G62-E88 PolarHBondContact N-OE2 2.82Å; E88-S90 VanDerWaalsContact C-N 3.35Å; E88-S90 PolarHBondContact O-N 3.42Å; E88-S90 WeakPolarHBondContact OE1-CA 3.39Å; E88-S90 WeakPolarHBondContact OE1-CB 3.08Å; E88-S90 PolarHBondContact OE1-N 3.4Å; E88-S90 PolarHBondContact OE1-OG 2.7Å; E88-L183 PolarHBondContact N-O 3.42Å; E88-Y184 HydrophobicContact CB-CD1 4.2Å; E88-Y184 HydrophobicContact CG-CD1 4.21Å; E88-Y184 CarbonylContact O-C 3.58Å; E88-Y184 WeakPolarHBondContact O-CA 3.42Å; E88-E185 WeakPolarHBondContact O-CA 3.42Å; E88-E185 PolarHBondContact O-N 3.19Å; E88-A186 CarbonylContact C-O 3.51Å; E88-A186 PolarHBondContact O-N 2.83Å
89	S	93.3	Very high	86.3	Confident	50 Å²	50	70.5 Å²	70.5	35%	0.35	35%	0.348	S	S	.	.	S	Bend	trans	-73.6	-25.4	-175.3	67.3	0	0	0	0	114.1	E185 A186	S89-E185 WeakPolarHBondContact O-CA 2.98Å; S89-A186 WeakPolarHBondContact CA-O 3.47Å; S89-A186 PolarHBondContact N-O 3.11Å
90	S	90.9	Very high	86.1	Confident	52 Å²	52	73.6 Å²	73.6	36%	0.364	36%	0.363	S	S	.	.	S	Bend	trans	-90	158.7	180	-45.9	0	0	0	0	111.2	E88 E185	E88-S90 VanDerWaalsContact C-N 3.35Å; E88-S90 PolarHBondContact O-N 3.42Å; E88-S90 WeakPolarHBondContact OE1-CA 3.39Å; E88-S90 WeakPolarHBondContact OE1-CB 3.08Å; E88-S90 PolarHBondContact OE1-N 3.4Å; E88-S90 PolarHBondContact OE1-OG 2.7Å; S90-E185 PolarHBondContact O-N 3.21Å; S90-E185 VanDerWaalsContact O-N 3.12Å
91	G	86.7	Confident	86.4	Confident	30 Å²	30	74 Å²	74	31%	0.309	36%	0.356	S	S	.	.			trans	-66.2	159.6	166.3	0	0	0	0	0	111.3	K93	G91-K93 PolarHBondContact O-N 2.83Å; G91-K93 VanDerWaalsContact O-N 3.08Å
92	K	83.6	Confident	86.5	Confident	100 Å²	100	67.1 Å²	67.1	44%	0.435	33%	0.326	S	S	.	.			trans	-62.7	111.4	173.8	176.2	169.1	168.4	155.6	0	109.4	E172 Y184	K92-E172 IonicContact NZ-OE1 3.9Å; K92-E172 PolarHBondContact NZ-OE1 3Å; K92-E172 IonicContact NZ-OE2 2.85Å; K92-E172 PolarHBondContact NZ-OE2 2.73Å; K92-Y184 HydrophobicContact CB-CD1 4.17Å; K92-Y184 HydrophobicContact CB-CD2 4.46Å; K92-Y184 HydrophobicContact CB-CE1 4.17Å; K92-Y184 HydrophobicContact CB-CE2 4.46Å; K92-Y184 HydrophobicContact CB-CG 4.31Å; K92-Y184 HydrophobicContact CD-CE2 4.37Å
93	K	77.5	Confident	86.2	Confident	133 Å²	133	65.9 Å²	65.9	58%	0.578	32%	0.322	S	S	*	.			trans	-85.5	129.8	169.1	-63.9	-179.3	-177.8	177.5	0	108.5	G91	G91-K93 PolarHBondContact O-N 2.83Å; G91-K93 VanDerWaalsContact O-N 3.08Å
94	T	73.1	Confident	86	Confident	94 Å²	94	69 Å²	69	58%	0.577	33%	0.328	S	S	*	.			trans	-91.3	116.9	167.5	39.6	0	0	0	0	108.2	Q96	T94-Q96 PolarHBondContact O-N 3.37Å
95	Y	69.8	Low	85.8	Confident	33 Å²	33	70.2 Å²	70.2	13%	0.129	34%	0.335	C	S	.	.			trans	-70.1	114.7	169.9	-179.6	-97.1	0	0	0	108.4	F128 D161 L162	Y95-F128 HydrophobicContact CE1-CD1 4.06Å; Y95-F128 HydrophobicContact CE1-CE1 4.45Å; Y95-D161 HydrophobicContact CD2-CB 4.24Å; Y95-L162 HydrophobicContact CD1-CD1 4.4Å; Y95-L162 HydrophobicContact CE1-CD1 4.17Å
96	Q	72.7	Confident	85.6	Confident	136 Å²	136	70.8 Å²	70.8	64%	0.636	34%	0.339	S	S	*	.			trans	-96.6	128.8	168.9	-66.7	180	1.3	0	0	107.3	T94 K98	T94-Q96 PolarHBondContact O-N 3.37Å; Q96-K98 PolarHBondContact O-N 3.24Å
97	R	71.7	Confident	85.3	Confident	166 Å²	166	71.4 Å²	71.4	63%	0.626	34%	0.344	S	S	*	.			trans	-61	102.2	172.9	-176.8	178.7	-177.2	159.7	4.1	108.4	F128	R97-F128 HydrophobicContact CB-CD1 4.37Å; R97-F128 HydrophobicContact CB-CE1 4.21Å; R97-F128 HydrophobicContact CG-CD1 4.45Å
98	K	81.5	Confident	85.2	Confident	119 Å²	119	71.3 Å²	71.3	52%	0.517	34%	0.344	S	S	.	.			trans	-89	160.6	170.6	-68.4	175.4	-174.8	174	0	109.3	Q96 E100 R129	Q96-K98 PolarHBondContact O-N 3.24Å; K98-E100 VanDerWaalsContact C-N 3.35Å; K98-R129 VanDerWaalsContact O-CZ 3.27Å; K98-R129 PolarHBondContact O-NH1 3.47Å; K98-R129 PolarHBondContact O-NH2 3.06Å
99	E	82.3	Confident	85	Confident	179 Å²	179	70.8 Å²	70.8	84%	0.836	34%	0.341	S	S	*	.	S	Bend	trans	-74.5	-32.5	170.6	-68.5	-169.2	167.8	0	0	110.8	R129	E99-R129 PolarHBondContact O-NH2 3.12Å
100	E	87	Confident	84.9	Confident	65 Å²	65	70.1 Å²	70.1	30%	0.304	33%	0.334	S	S	.	.	S	Bend	trans	-72.1	142.1	175.2	-59	93.3	162.7	0	0	112.1	K98 R129 N371	K98-E100 VanDerWaalsContact C-N 3.35Å; E100-R129 PolarHBondContact O-NH1 3.14Å; E100-N371 PolarHBondContact OE1-ND2 3.2Å
101	Y	89	Confident	84.9	Confident	40 Å²	40	73.1 Å²	73.1	16%	0.157	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-77.9	145.2	167.6	-67.1	-87.4	0	0	0	111.6	R129 E159 L281 Y285 Q369	Y101-R129 HydrophobicContact CE1-CG 4.46Å; Y101-E159 WeakPolarHBondContact CD1-OE1 3.5Å; Y101-L281 HydrophobicContact CD1-CB 4.06Å; Y101-L281 HydrophobicContact CD1-CD1 4.15Å; Y101-L281 HydrophobicContact CD1-CG 4.5Å; Y101-L281 HydrophobicContact CD2-CD1 4.47Å; Y101-L281 HydrophobicContact CE1-CB 3.96Å; Y101-L281 HydrophobicContact CG-CB 4.37Å; Y101-L281 HydrophobicContact CG-CD1 3.95Å; Y101-Y285 HydrophobicContact CD2-CD2 4.35Å; Y101-Y285 HydrophobicContact CD2-CG 4.21Å; Y101-Y285 AromaticContact CE2-CD2 3.94Å; Y101-Y285 HydrophobicContact CE2-CD2 3.94Å; Y101-Y285 HydrophobicContact CE2-CG 4.16Å; Y101-Q369 VanDerWaalsContact N-OE1 3.12Å; Y101-Q369 PolarHBondContact O-NE2 3.23Å
102	E	87.9	Confident	85.2	Confident	50 Å²	50	71.8 Å²	71.8	23%	0.234	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-70.5	150.7	166.8	-70.2	-175.7	-179.5	0	0	112.9	R104 E159 D161	E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.1Å; E102-E159 HydrophobicContact CB-CG 4.46Å; E102-E159 WeakPolarHBondContact CB-OE2 3.44Å; E102-E159 VanDerWaalsContact CG-OE2 3.32Å; E102-E159 WeakPolarHBondContact CG-OE2 3.34Å; E102-E159 PolarHBondContact N-OE2 3.36Å; E102-E159 VanDerWaalsContact N-OE2 3.08Å; E102-D161 WeakPolarHBondContact OE2-CB 3.41Å
103	N	87.1	Confident	85.7	Confident	31 Å²	31	67 Å²	67	17%	0.166	31%	0.311	C	S	.	.	S	Bend	trans	-70.4	-26.2	177.8	-67.7	-39.6	0	0	0	113.3	V252 T254 K373	N103-V252 HydrophobicContact CB-CG2 4.29Å; N103-T254 PolarHBondContact OD1-N 3.17Å; N103-K373 PolarHBondContact ND2-O 2.91Å
104	R	89.3	Confident	86.6	Confident	147 Å²	147	64.3 Å²	64.3	56%	0.555	30%	0.302	S	S	*	.			trans	-95.6	111.3	-176.4	-73.5	-168.1	175	-150.1	-0.8	109.3	E102 N160	E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.1Å; R104-N160 VanDerWaalsContact C-OD1 3.24Å; R104-N160 HydrophobicContact CB-CB 4.29Å; R104-N160 PolarHBondContact O-N 2.99Å; R104-N160 PolarHBondContact O-OD1 3.4Å; R104-N160 VanDerWaalsContact O-OD1 3.11Å
105	V	91.7	Very high	87.6	Confident	25 Å²	25	60.4 Å²	60.4	15%	0.152	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	155.4	176.9	-54.3	0	0	0	0	110.6	I157 V158 E159 N160 L281 S287	V105-I157 HydrophobicContact CB-CG2 3.77Å; V105-I157 HydrophobicContact CG1-CG2 4.44Å; V105-I157 HydrophobicContact CG2-CG2 3.66Å; V105-V158 CarbonylContact C-O 3.57Å; V105-V158 VanDerWaalsContact CA-O 3.27Å; V105-V158 WeakPolarHBondContact CA-O 3.44Å; V105-V158 WeakPolarHBondContact CB-O 3.38Å; V105-E159 HydrophobicContact CG1-CG 4.41Å; V105-N160 WeakPolarHBondContact CA-OD1 3.47Å; V105-N160 PolarHBondContact N-OD1 3.27Å; V105-N160 PolarHBondContact O-OD1 2.87Å; V105-L281 HydrophobicContact CB-CD2 4.35Å; V105-L281 HydrophobicContact CG1-CD2 3.75Å; V105-L281 HydrophobicContact CG2-CD2 4.39Å; V105-S287 VanDerWaalsContact CG2-OG 3.3Å; V105-S287 WeakPolarHBondContact CG2-OG 3.37Å
106	V	92.9	Very high	88.9	Confident	14 Å²	14	58.8 Å²	58.8	9%	0.085	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142.5	177	-77	0	0	0	0	109.8	M64 L108 I157 V158 N160 V163 V410	M64-V106 HydrophobicContact CE-CG1 4.06Å; M64-V106 HydrophobicContact SD-CG1 3.96Å; M64-V106 HydrophobicContact SD-CG2 4.31Å; V106-L108 HydrophobicContact CG2-CD2 4.21Å; V106-L108 HydrophobicContact CG2-CG 4.23Å; V106-I157 WeakPolarHBondContact O-CA 3.43Å; V106-V158 WeakPolarHBondContact CG2-O 3.14Å; V106-V158 PolarHBondContact N-O 2.82Å; V106-V158 PolarHBondContact O-N 2.82Å; V106-N160 VanDerWaalsContact CG1-OD1 3.29Å; V106-N160 WeakPolarHBondContact CG1-OD1 3.22Å; V106-N160 PolarHBondContact N-OD1 3.43Å; V106-V163 HydrophobicContact CG2-CG2 4.17Å; V106-V410 HydrophobicContact CG1-CB 4.2Å; V106-V410 HydrophobicContact CG1-CG2 3.65Å
107	A	92.4	Very high	90.1	Very high	13 Å²	13	56.3 Å²	56.3	11%	0.107	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	103.9	170.5	0	0	0	0	0	108.9	A155 Y156 I157 N411	A107-A155 HydrophobicContact CB-CB 4.3Å; A107-Y156 CarbonylContact C-O 3.52Å; A107-Y156 WeakPolarHBondContact CA-O 3.36Å; A107-I157 HydrophobicContact CB-CD1 3.62Å; A107-N411 PolarHBondContact O-ND2 3.31Å; A107-N411 PolarHBondContact O-OD1 3.11Å
108	L	93.5	Very high	91.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	120.5	179.3	-63.3	175.5	0	0	0	110.4	V106 V113 L116 W122 A155 Y156 V158 V163 N411 F414	V106-L108 HydrophobicContact CG2-CD2 4.21Å; V106-L108 HydrophobicContact CG2-CG 4.23Å; L108-V113 HydrophobicContact CB-CG2 4.06Å; L108-L116 HydrophobicContact CD1-CD1 3.76Å; L108-W122 HydrophobicContact CD1-CZ3 4.01Å; L108-A155 CarbonylContact O-C 3.57Å; L108-A155 VanDerWaalsContact O-CA 3.23Å; L108-A155 WeakPolarHBondContact O-CA 3.43Å; L108-A155 WeakPolarHBondContact O-CB 3.11Å; L108-Y156 PolarHBondContact N-O 2.77Å; L108-Y156 PolarHBondContact O-N 2.87Å; L108-V158 HydrophobicContact CD1-CB 4.14Å; L108-V158 HydrophobicContact CD1-CG2 3.85Å; L108-V163 HydrophobicContact CD1-CG2 4.22Å; L108-N411 WeakPolarHBondContact CA-OD1 3.38Å; L108-F414 HydrophobicContact CD2-CD2 4.29Å; L108-F414 HydrophobicContact CD2-CE2 3.85Å
109	N	91.2	Very high	91.7	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.053	24%	0.243	C	C	.	.			trans	-80	170.3	173.5	69.2	8	0	0	0	111.8	L111 S112 V113 N411	N109-L111 VanDerWaalsContact C-N 3.26Å; N109-L111 PolarHBondContact O-N 2.84Å; N109-L111 PolarHBondContact OD1-N 3.36Å; N109-S112 PolarHBondContact O-N 2.94Å; N109-S112 VanDerWaalsContact O-N 3.08Å; N109-S112 WeakPolarHBondContact OD1-CB 3.39Å; N109-S112 PolarHBondContact OD1-N 2.93Å; N109-S112 PolarHBondContact OD1-OG 2.92Å; N109-V113 WeakPolarHBondContact O-CG2 3.36Å; N109-V113 PolarHBondContact O-N 3.32Å; N109-N411 PolarHBondContact N-OD1 3.07Å
110	D	90.3	Very high	92.2	Very high	36 Å²	36	43.6 Å²	43.6	19%	0.193	22%	0.224	C	C	.	.	H	α-helix	trans	-58.1	-35.4	-177.4	-68.7	-27.1	0	0	0	113.9	S112 V113 N114 R151	D110-S112 VanDerWaalsContact C-N 3.34Å; D110-V113 PolarHBondContact O-N 3.32Å; D110-N114 VanDerWaalsContact O-CB 3.27Å; D110-N114 WeakPolarHBondContact O-CB 3.07Å; D110-N114 PolarHBondContact O-N 3.36Å; D110-N114 PolarHBondContact O-ND2 2.78Å; D110-R151 IonicContact OD2-CZ 2.75Å; D110-R151 IonicContact OD2-NH1 3.17Å; D110-R151 PolarHBondContact OD2-NH1 3.42Å; D110-R151 VanDerWaalsContact OD2-NH1 3.11Å; D110-R151 IonicContact OD2-NH2 2.87Å; D110-R151 PolarHBondContact OD2-NH2 3.04Å
111	L	90.9	Very high	92.6	Very high	114 Å²	114	40.7 Å²	40.7	60%	0.597	21%	0.211	S	C	*	.	H	α-helix	trans	-62.9	-44.2	177.7	-65.3	176.8	0	0	0	111	N109 N114 M115	N109-L111 VanDerWaalsContact C-N 3.26Å; N109-L111 PolarHBondContact O-N 2.84Å; N109-L111 PolarHBondContact OD1-N 3.36Å; L111-N114 PolarHBondContact O-N 3.02Å; L111-M115 PolarHBondContact O-N 3.38Å
112	S	94.1	Very high	93	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-68.3	-41	177	-58.1	0	0	0	0	111.7	N109 D110 N114 M115 L116 N411	N109-S112 PolarHBondContact O-N 2.94Å; N109-S112 VanDerWaalsContact O-N 3.08Å; N109-S112 WeakPolarHBondContact OD1-CB 3.39Å; N109-S112 PolarHBondContact OD1-N 2.93Å; N109-S112 PolarHBondContact OD1-OG 2.92Å; D110-S112 VanDerWaalsContact C-N 3.34Å; S112-N114 VanDerWaalsContact C-N 3.35Å; S112-N114 PolarHBondContact O-N 2.79Å; S112-M115 WeakPolarHBondContact O-CB 3.31Å; S112-M115 PolarHBondContact O-N 3.16Å; S112-L116 VanDerWaalsContact O-CG 3.29Å; S112-L116 WeakPolarHBondContact O-CG 3.47Å; S112-L116 PolarHBondContact O-N 3.11Å; S112-N411 PolarHBondContact OG-OD1 2.73Å
113	V	94.6	Very high	93.3	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-42.8	174.6	171.2	0	0	0	0	111.2	L108 N109 D110 L116 K117 W122 Y156	L108-V113 HydrophobicContact CB-CG2 4.06Å; N109-V113 WeakPolarHBondContact O-CG2 3.36Å; N109-V113 PolarHBondContact O-N 3.32Å; D110-V113 PolarHBondContact O-N 3.32Å; V113-L116 PolarHBondContact O-N 3.45Å; V113-K117 HydrophobicContact CG1-CD 4.08Å; V113-K117 HydrophobicContact CG1-CG 4.39Å; V113-K117 WeakPolarHBondContact O-CB 3.29Å; V113-K117 WeakPolarHBondContact O-CG 3.27Å; V113-K117 PolarHBondContact O-N 2.99Å; V113-W122 HydrophobicContact CB-CE3 4.48Å; V113-W122 HydrophobicContact CB-CZ3 4.45Å; V113-W122 HydrophobicContact CG1-CD2 3.74Å; V113-W122 HydrophobicContact CG1-CE3 4.04Å; V113-W122 HydrophobicContact CG1-CG 4.27Å; V113-W122 HydrophobicContact CG1-CH2 4.19Å; V113-W122 HydrophobicContact CG1-CZ2 3.9Å; V113-W122 HydrophobicContact CG1-CZ3 4.27Å; V113-W122 HydrophobicContact CG2-CE3 4.22Å; V113-W122 HydrophobicContact CG2-CH2 3.68Å; V113-W122 HydrophobicContact CG2-CZ2 4.18Å; V113-W122 HydrophobicContact CG2-CZ3 3.72Å; V113-Y156 HydrophobicContact CG2-CD2 3.69Å; V113-Y156 HydrophobicContact CG2-CE2 4.18Å; V113-Y156 HydrophobicContact CG2-CG 4.49Å
114	N	94.8	Very high	93.6	Very high	76 Å²	76	43.5 Å²	43.5	41%	0.406	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-39	177.1	-71.9	-19.9	0	0	0	111.8	D110 L111 S112 K117 N118	D110-N114 VanDerWaalsContact O-CB 3.27Å; D110-N114 WeakPolarHBondContact O-CB 3.07Å; D110-N114 PolarHBondContact O-N 3.36Å; D110-N114 PolarHBondContact O-ND2 2.78Å; L111-N114 PolarHBondContact O-N 3.02Å; S112-N114 VanDerWaalsContact C-N 3.35Å; S112-N114 PolarHBondContact O-N 2.79Å; N114-K117 PolarHBondContact O-N 3.46Å; N114-N118 WeakPolarHBondContact O-CB 3.42Å; N114-N118 PolarHBondContact O-N 3.29Å; N114-N118 PolarHBondContact O-ND2 3.35Å; N114-N118 PolarHBondContact O-OD1 3.45Å
115	M	95.6	Very high	93.9	Very high	11 Å²	11	36.5 Å²	36.5	5%	0.054	20%	0.197	C	C	.	.	H	α-helix	trans	-58.1	-49	170.6	174	-171	157.3	0	0	110.9	V72 L111 S112 K117 N118 I119 F414 V417 V418	V72-M115 HydrophobicContact CG2-CE 3.38Å; V72-M115 HydrophobicContact CG2-CG 3.9Å; V72-M115 HydrophobicContact CG2-SD 4.21Å; L111-M115 PolarHBondContact O-N 3.38Å; S112-M115 WeakPolarHBondContact O-CB 3.31Å; S112-M115 PolarHBondContact O-N 3.16Å; M115-K117 VanDerWaalsContact C-N 3.33Å; M115-K117 PolarHBondContact O-N 3.37Å; M115-N118 PolarHBondContact O-N 2.82Å; M115-I119 HydrophobicContact CE-CD1 4.1Å; M115-I119 HydrophobicContact CG-CD1 4.1Å; M115-I119 VanDerWaalsContact O-CG1 3.3Å; M115-I119 WeakPolarHBondContact O-CG1 3.3Å; M115-I119 PolarHBondContact O-N 2.99Å; M115-I119 VanDerWaalsContact O-N 3.12Å; M115-F414 HydrophobicContact CE-CB 4.49Å; M115-F414 HydrophobicContact CE-CD1 3.65Å; M115-F414 HydrophobicContact CE-CE1 4.12Å; M115-F414 HydrophobicContact CE-CG 4.23Å; M115-F414 HydrophobicContact SD-CB 3.7Å; M115-F414 HydrophobicContact SD-CD1 3.98Å; M115-F414 HydrophobicContact SD-CG 3.93Å; M115-V417 HydrophobicContact CE-CB 4.2Å; M115-V417 HydrophobicContact CE-CG1 3.68Å; M115-V417 HydrophobicContact SD-CG1 4.49Å; M115-V418 HydrophobicContact CB-CG2 4.18Å; M115-V418 HydrophobicContact CG-CG2 3.91Å; M115-V418 HydrophobicContact SD-CG2 3.66Å
116	L	97.1	Very high	93.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.8	-34.3	179.6	-67.4	169.4	0	0	0	112.9	L108 S112 V113 G120 V121 W122 I125 L167	L108-L116 HydrophobicContact CD1-CD1 3.76Å; S112-L116 VanDerWaalsContact O-CG 3.29Å; S112-L116 WeakPolarHBondContact O-CG 3.47Å; S112-L116 PolarHBondContact O-N 3.11Å; V113-L116 PolarHBondContact O-N 3.45Å; L116-G120 PolarHBondContact O-N 2.87Å; L116-G120 VanDerWaalsContact O-N 3.12Å; L116-V121 HydrophobicContact CB-CG2 3.85Å; L116-V121 HydrophobicContact CD2-CG2 3.51Å; L116-V121 HydrophobicContact CG-CG2 4.27Å; L116-V121 WeakPolarHBondContact O-CG2 3.25Å; L116-V121 PolarHBondContact O-N 2.88Å; L116-W122 HydrophobicContact CB-CB 4.23Å; L116-W122 HydrophobicContact CB-CE3 4.3Å; L116-W122 HydrophobicContact CD1-CE3 4.12Å; L116-W122 HydrophobicContact CD1-CZ3 4.4Å; L116-W122 PolarHBondContact O-N 2.82Å; L116-I125 HydrophobicContact CD1-CD1 3.99Å; L116-L167 HydrophobicContact CD2-CD2 4Å; L116-L167 HydrophobicContact CD2-CG 4.46Å
117	K	96.3	Very high	93.9	Very high	83 Å²	83	43.7 Å²	43.7	36%	0.361	24%	0.236	S	C	.	.	H	α-helix	trans	-66.5	-43.7	172.1	-75.4	173.8	178.5	172.6	0	112	V113 N114 M115 I119 G120 W122	V113-K117 HydrophobicContact CG1-CD 4.08Å; V113-K117 HydrophobicContact CG1-CG 4.39Å; V113-K117 WeakPolarHBondContact O-CB 3.29Å; V113-K117 WeakPolarHBondContact O-CG 3.27Å; V113-K117 PolarHBondContact O-N 2.99Å; N114-K117 PolarHBondContact O-N 3.46Å; M115-K117 VanDerWaalsContact C-N 3.33Å; M115-K117 PolarHBondContact O-N 3.37Å; K117-I119 PolarHBondContact O-N 2.91Å; K117-G120 WeakPolarHBondContact O-CA 3.41Å; K117-G120 PolarHBondContact O-N 3.05Å; K117-W122 HydrophobicContact CB-CB 4.27Å; K117-W122 HydrophobicContact CD-CG 4.42Å; K117-W122 HydrophobicContact CG-CB 3.47Å; K117-W122 VanDerWaalsContact CG-CB 3.47Å; K117-W122 HydrophobicContact CG-CG 3.57Å
118	N	94.6	Very high	93.8	Very high	142 Å²	142	45.7 Å²	45.7	76%	0.759	24%	0.243	S	C	*	.	H	α-helix	trans	-64.3	-30.8	179.2	-70.9	-12.7	0	0	0	112.5	N114 M115 G120	N114-N118 WeakPolarHBondContact O-CB 3.42Å; N114-N118 PolarHBondContact O-N 3.29Å; N114-N118 PolarHBondContact O-ND2 3.35Å; N114-N118 PolarHBondContact O-OD1 3.45Å; M115-N118 PolarHBondContact O-N 2.82Å; N118-G120 VanDerWaalsContact C-N 3.35Å
119	I	93	Very high	93.6	Very high	14 Å²	14	47.4 Å²	47.4	7%	0.072	25%	0.249	C	C	.	.	H	α-helix	trans	-76.1	-25.6	171.8	-59	162.9	0	0	0	111	A71 V72 M115 K117 V121 L167 H170	A71-I119 HydrophobicContact CB-CD1 4.12Å; A71-I119 HydrophobicContact CB-CG2 3.86Å; V72-I119 HydrophobicContact CG2-CD1 3.5Å; V72-I119 HydrophobicContact CG2-CG1 3.94Å; M115-I119 HydrophobicContact CE-CD1 4.1Å; M115-I119 HydrophobicContact CG-CD1 4.1Å; M115-I119 VanDerWaalsContact O-CG1 3.3Å; M115-I119 WeakPolarHBondContact O-CG1 3.3Å; M115-I119 PolarHBondContact O-N 2.99Å; M115-I119 VanDerWaalsContact O-N 3.12Å; K117-I119 PolarHBondContact O-N 2.91Å; I119-V121 HydrophobicContact CB-CG2 4.4Å; I119-V121 HydrophobicContact CG2-CG1 3.93Å; I119-V121 HydrophobicContact CG2-CG2 4.43Å; I119-L167 HydrophobicContact CD1-CD2 4.22Å; I119-H170 WeakPolarHBondContact CG2-NE2 3.4Å; I119-H170 PolarHBondContact O-CE1 3.3Å
120	G	93.7	Very high	93.7	Very high	42 Å²	42	48.3 Å²	48.3	43%	0.433	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	27.5	-177.2	0	0	0	0	0	114.1	L116 K117 N118	L116-G120 PolarHBondContact O-N 2.87Å; L116-G120 VanDerWaalsContact O-N 3.12Å; K117-G120 WeakPolarHBondContact O-CA 3.41Å; K117-G120 PolarHBondContact O-N 3.05Å; N118-G120 VanDerWaalsContact C-N 3.35Å
121	V	95.1	Very high	93.9	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.024	26%	0.255	C	S	.	.			trans	-105	-14.5	177.3	-62.9	0	0	0	0	113.4	L116 I119 E123 F124 I125 L167 H170	L116-V121 HydrophobicContact CB-CG2 3.85Å; L116-V121 HydrophobicContact CD2-CG2 3.51Å; L116-V121 HydrophobicContact CG-CG2 4.27Å; L116-V121 WeakPolarHBondContact O-CG2 3.25Å; L116-V121 PolarHBondContact O-N 2.88Å; I119-V121 HydrophobicContact CB-CG2 4.4Å; I119-V121 HydrophobicContact CG2-CG1 3.93Å; I119-V121 HydrophobicContact CG2-CG2 4.43Å; V121-E123 PolarHBondContact O-N 2.9Å; V121-F124 WeakPolarHBondContact O-CB 3.33Å; V121-F124 PolarHBondContact O-N 3.27Å; V121-I125 PolarHBondContact O-N 2.8Å; V121-I125 VanDerWaalsContact O-N 3.14Å; V121-L167 HydrophobicContact CG2-CD2 4.07Å; V121-H170 HydrophobicContact CG1-CB 3.44Å; V121-H170 VanDerWaalsContact CG1-CB 3.44Å
122	W	96.5	Very high	94.1	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-40.1	-175.9	179.7	-103.5	0	0	0	112.7	L108 V113 L116 K117 F124 I125 Q126 Y156	L108-W122 HydrophobicContact CD1-CZ3 4.01Å; V113-W122 HydrophobicContact CB-CE3 4.48Å; V113-W122 HydrophobicContact CB-CZ3 4.45Å; V113-W122 HydrophobicContact CG1-CD2 3.74Å; V113-W122 HydrophobicContact CG1-CE3 4.04Å; V113-W122 HydrophobicContact CG1-CG 4.27Å; V113-W122 HydrophobicContact CG1-CH2 4.19Å; V113-W122 HydrophobicContact CG1-CZ2 3.9Å; V113-W122 HydrophobicContact CG1-CZ3 4.27Å; V113-W122 HydrophobicContact CG2-CE3 4.22Å; V113-W122 HydrophobicContact CG2-CH2 3.68Å; V113-W122 HydrophobicContact CG2-CZ2 4.18Å; V113-W122 HydrophobicContact CG2-CZ3 3.72Å; L116-W122 HydrophobicContact CB-CB 4.23Å; L116-W122 HydrophobicContact CB-CE3 4.3Å; L116-W122 HydrophobicContact CD1-CE3 4.12Å; L116-W122 HydrophobicContact CD1-CZ3 4.4Å; L116-W122 PolarHBondContact O-N 2.82Å; K117-W122 HydrophobicContact CB-CB 4.27Å; K117-W122 HydrophobicContact CD-CG 4.42Å; K117-W122 HydrophobicContact CG-CB 3.47Å; K117-W122 VanDerWaalsContact CG-CB 3.47Å; K117-W122 HydrophobicContact CG-CG 3.57Å; W122-F124 PolarHBondContact O-N 2.88Å; W122-I125 HydrophobicContact CE3-CB 4.41Å; W122-I125 HydrophobicContact CE3-CD1 4.28Å; W122-I125 HydrophobicContact CE3-CG2 4.39Å; W122-I125 HydrophobicContact CZ3-CG2 4.12Å; W122-I125 PolarHBondContact O-N 2.85Å; W122-I125 VanDerWaalsContact O-N 3.14Å; W122-Q126 WeakPolarHBondContact O-CB 3.46Å; W122-Q126 PolarHBondContact O-N 2.84Å; W122-Y156 AromaticContact CH2-CD1 3.95Å; W122-Y156 HydrophobicContact CH2-CD1 3.95Å; W122-Y156 AromaticContact CH2-CD2 3.94Å; W122-Y156 HydrophobicContact CH2-CD2 3.94Å; W122-Y156 HydrophobicContact CH2-CE2 4.49Å; W122-Y156 AromaticContact CH2-CG 3.6Å; W122-Y156 HydrophobicContact CH2-CG 3.6Å; W122-Y156 AromaticContact CZ2-CD1 3.85Å; W122-Y156 HydrophobicContact CZ2-CD1 3.85Å; W122-Y156 HydrophobicContact CZ2-CD2 4.05Å; W122-Y156 AromaticContact CZ2-CE1 3.97Å; W122-Y156 HydrophobicContact CZ2-CE1 3.97Å; W122-Y156 HydrophobicContact CZ2-CE2 4.15Å; W122-Y156 AromaticContact CZ2-CG 3.86Å; W122-Y156 HydrophobicContact CZ2-CG 3.86Å
123	E	94.6	Very high	93.9	Very high	109 Å²	109	44.9 Å²	44.9	51%	0.509	24%	0.239	S	C	.	.	H	α-helix	trans	-60	-39.2	178.7	-66.5	68.9	-153.2	0	0	110.7	V121 S127	V121-E123 PolarHBondContact O-N 2.9Å; E123-S127 WeakPolarHBondContact O-CB 3.21Å; E123-S127 PolarHBondContact O-N 2.76Å; E123-S127 PolarHBondContact O-OG 2.96Å
124	F	93.5	Very high	93.7	Very high	69 Å²	69	46.7 Å²	46.7	30%	0.303	25%	0.249	S	C	.	.	H	α-helix	trans	-63.1	-52.3	173.6	-178.9	-91.4	0	0	0	110.5	V121 W122 Q126 S127 F128 L162	V121-F124 WeakPolarHBondContact O-CB 3.33Å; V121-F124 PolarHBondContact O-N 3.27Å; W122-F124 PolarHBondContact O-N 2.88Å; F124-Q126 VanDerWaalsContact C-N 3.31Å; F124-Q126 PolarHBondContact O-N 3.47Å; F124-S127 PolarHBondContact O-N 2.75Å; F124-S127 VanDerWaalsContact O-N 3.14Å; F124-S127 PolarHBondContact O-OG 3.2Å; F124-F128 HydrophobicContact CD1-CD2 4.31Å; F124-F128 HydrophobicContact CD1-CE2 4.37Å; F124-F128 HydrophobicContact CD2-CD2 4.35Å; F124-F128 AromaticContact CD2-CE2 3.82Å; F124-F128 HydrophobicContact CD2-CE2 3.82Å; F124-F128 HydrophobicContact CE1-CD2 4.06Å; F124-F128 AromaticContact CE1-CE2 3.9Å; F124-F128 HydrophobicContact CE1-CE2 3.9Å; F124-F128 HydrophobicContact CE1-CZ 4.44Å; F124-F128 HydrophobicContact CE2-CD2 4.12Å; F124-F128 AromaticContact CE2-CE2 3.27Å; F124-F128 HydrophobicContact CE2-CE2 3.27Å; F124-F128 AromaticContact CE2-CZ 3.85Å; F124-F128 HydrophobicContact CE2-CZ 3.85Å; F124-F128 HydrophobicContact CG-CD2 4.45Å; F124-F128 HydrophobicContact CG-CE2 4.34Å; F124-F128 AromaticContact CZ-CD2 3.96Å; F124-F128 HydrophobicContact CZ-CD2 3.96Å; F124-F128 AromaticContact CZ-CE2 3.31Å; F124-F128 HydrophobicContact CZ-CE2 3.31Å; F124-F128 AromaticContact CZ-CZ 3.66Å; F124-F128 HydrophobicContact CZ-CZ 3.66Å; F124-F128 WeakPolarHBondContact O-CD2 3.39Å; F124-F128 PolarHBondContact O-N 3.3Å; F124-L162 HydrophobicContact CD1-CD1 4.45Å; F124-L162 HydrophobicContact CE1-CD1 3.98Å
125	I	94.8	Very high	93.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-54.8	-48.2	177.9	-66.4	168.9	0	0	0	111.2	L116 V121 W122 S127 F128 R129 V158 L162 V163 S166	L116-I125 HydrophobicContact CD1-CD1 3.99Å; V121-I125 PolarHBondContact O-N 2.8Å; V121-I125 VanDerWaalsContact O-N 3.14Å; W122-I125 HydrophobicContact CE3-CB 4.41Å; W122-I125 HydrophobicContact CE3-CD1 4.28Å; W122-I125 HydrophobicContact CE3-CG2 4.39Å; W122-I125 HydrophobicContact CZ3-CG2 4.12Å; W122-I125 PolarHBondContact O-N 2.85Å; W122-I125 VanDerWaalsContact O-N 3.14Å; I125-S127 VanDerWaalsContact C-N 3.32Å; I125-S127 PolarHBondContact O-N 3.32Å; I125-F128 PolarHBondContact O-N 3.42Å; I125-R129 PolarHBondContact O-N 3.05Å; I125-R129 VanDerWaalsContact O-N 3.12Å; I125-V158 HydrophobicContact CG2-CB 4.41Å; I125-V158 HydrophobicContact CG2-CG1 3.5Å; I125-V158 VanDerWaalsContact CG2-CG1 3.5Å; I125-V158 HydrophobicContact CG2-CG2 3.93Å; I125-L162 HydrophobicContact CG2-CD2 4.24Å; I125-V163 HydrophobicContact CD1-CG2 4.46Å; I125-S166 WeakPolarHBondContact CD1-OG 3.41Å
126	Q	93.4	Very high	92.9	Very high	115 Å²	115	46 Å²	46	54%	0.537	24%	0.243	S	C	.	.	H	α-helix	trans	-65.2	-33.9	-178.6	-172.8	175.2	-25.8	0	0	112.4	W122 F124 F128	W122-Q126 WeakPolarHBondContact O-CB 3.46Å; W122-Q126 PolarHBondContact O-N 2.84Å; F124-Q126 VanDerWaalsContact C-N 3.31Å; F124-Q126 PolarHBondContact O-N 3.47Å; Q126-F128 VanDerWaalsContact C-N 3.27Å; Q126-F128 PolarHBondContact O-N 3.13Å
127	S	92.1	Very high	92.4	Very high	75 Å²	75	48.1 Å²	48.1	52%	0.524	25%	0.252	S	S	.	.	H	α-helix	trans	-69	-23.4	176.7	74.4	0	0	0	0	113.9	E123 F124 I125	E123-S127 WeakPolarHBondContact O-CB 3.21Å; E123-S127 PolarHBondContact O-N 2.76Å; E123-S127 PolarHBondContact O-OG 2.96Å; F124-S127 PolarHBondContact O-N 2.75Å; F124-S127 VanDerWaalsContact O-N 3.14Å; F124-S127 PolarHBondContact O-OG 3.2Å; I125-S127 VanDerWaalsContact C-N 3.32Å; I125-S127 PolarHBondContact O-N 3.32Å
128	F	90.1	Very high	91.8	Very high	56 Å²	56	44.4 Å²	44.4	25%	0.246	24%	0.236	C	C	.	.	H	α-helix	trans	-90.1	-77.1	177.1	-81.9	-105.1	0	0	0	110.5	Y95 R97 F124 I125 Q126 L162	Y95-F128 HydrophobicContact CE1-CD1 4.06Å; Y95-F128 HydrophobicContact CE1-CE1 4.45Å; R97-F128 HydrophobicContact CB-CD1 4.37Å; R97-F128 HydrophobicContact CB-CE1 4.21Å; R97-F128 HydrophobicContact CG-CD1 4.45Å; F124-F128 HydrophobicContact CD1-CD2 4.31Å; F124-F128 HydrophobicContact CD1-CE2 4.37Å; F124-F128 HydrophobicContact CD2-CD2 4.35Å; F124-F128 AromaticContact CD2-CE2 3.82Å; F124-F128 HydrophobicContact CD2-CE2 3.82Å; F124-F128 HydrophobicContact CE1-CD2 4.06Å; F124-F128 AromaticContact CE1-CE2 3.9Å; F124-F128 HydrophobicContact CE1-CE2 3.9Å; F124-F128 HydrophobicContact CE1-CZ 4.44Å; F124-F128 HydrophobicContact CE2-CD2 4.12Å; F124-F128 AromaticContact CE2-CE2 3.27Å; F124-F128 HydrophobicContact CE2-CE2 3.27Å; F124-F128 AromaticContact CE2-CZ 3.85Å; F124-F128 HydrophobicContact CE2-CZ 3.85Å; F124-F128 HydrophobicContact CG-CD2 4.45Å; F124-F128 HydrophobicContact CG-CE2 4.34Å; F124-F128 AromaticContact CZ-CD2 3.96Å; F124-F128 HydrophobicContact CZ-CD2 3.96Å; F124-F128 AromaticContact CZ-CE2 3.31Å; F124-F128 HydrophobicContact CZ-CE2 3.31Å; F124-F128 AromaticContact CZ-CZ 3.66Å; F124-F128 HydrophobicContact CZ-CZ 3.66Å; F124-F128 WeakPolarHBondContact O-CD2 3.39Å; F124-F128 PolarHBondContact O-N 3.3Å; I125-F128 PolarHBondContact O-N 3.42Å; Q126-F128 VanDerWaalsContact C-N 3.27Å; Q126-F128 PolarHBondContact O-N 3.13Å; F128-L162 HydrophobicContact CB-CD1 3.9Å; F128-L162 HydrophobicContact CB-CD2 3.85Å; F128-L162 HydrophobicContact CD1-CD1 4.43Å; F128-L162 HydrophobicContact CG-CD1 4.05Å
129	R	90.3	Very high	91.2	Very high	36 Å²	36	38.3 Å²	38.3	14%	0.136	20%	0.203	C	C	.	.			trans	-156.4	117.4	-175.6	-72.7	-177.9	175	168	-1.2	110.4	K98 E99 E100 Y101 I125 E159 L162	K98-R129 VanDerWaalsContact O-CZ 3.27Å; K98-R129 PolarHBondContact O-NH1 3.47Å; K98-R129 PolarHBondContact O-NH2 3.06Å; E99-R129 PolarHBondContact O-NH2 3.12Å; E100-R129 PolarHBondContact O-NH1 3.14Å; Y101-R129 HydrophobicContact CE1-CG 4.46Å; I125-R129 PolarHBondContact O-N 3.05Å; I125-R129 VanDerWaalsContact O-N 3.12Å; R129-E159 WeakPolarHBondContact CD-OE1 3.49Å; R129-E159 IonicContact CZ-OE1 3.85Å; R129-E159 IonicContact NE-OE1 2.7Å; R129-E159 IonicContact NH1-OE1 2.73Å; R129-E159 PolarHBondContact NH1-OE1 3.22Å; R129-L162 HydrophobicContact CB-CD2 4.32Å; R129-L162 WeakPolarHBondContact O-CD2 3.23Å
130	S	93.2	Very high	90.4	Very high	28 Å²	28	38.5 Å²	38.5	20%	0.196	20%	0.203	C	C	.	.			trans	-152.2	123.9	172.5	178.7	0	0	0	0	108.1	Y156	S130-Y156 VanDerWaalsContact OG-CD1 3.31Å; S130-Y156 WeakPolarHBondContact OG-CD1 3.27Å
131	Q	94.2	Very high	89.2	Confident	35 Å²	35	37 Å²	37	16%	0.164	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.2	-179.7	-175	60.4	31.6	0	0	110.1	Y156 I157 S264 P280 L281	Q131-Y156 CarbonylContact O-C 3.49Å; Q131-Y156 WeakPolarHBondContact O-CA 3.18Å; Q131-I157 PolarHBondContact N-O 2.67Å; Q131-I157 PolarHBondContact O-N 3.37Å; Q131-S264 PolarHBondContact NE2-OG 3.45Å; Q131-P280 WeakPolarHBondContact CB-O 3.42Å; Q131-P280 HydrophobicContact CG-CB 4.13Å; Q131-P280 HydrophobicContact CG-CG 4.45Å; Q131-P280 VanDerWaalsContact CG-O 3.27Å; Q131-P280 WeakPolarHBondContact CG-O 3.22Å; Q131-L281 WeakPolarHBondContact CB-O 3.42Å
132	P	94.2	Very high	87.6	Confident	38 Å²	38	40 Å²	40	25%	0.247	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	143.2	174	28.5	-33.9	0	0	0	110.5	P153 Y156 S264	P132-P153 HydrophobicContact CB-CB 3.9Å; P132-Y156 HydrophobicContact CB-CD1 4.15Å; P132-Y156 HydrophobicContact CB-CE1 4.01Å; P132-S264 WeakPolarHBondContact O-CB 3.19Å
133	V	91.2	Very high	85.7	Confident	7 Å²	7	41.3 Å²	41.3	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.4	167.4	-176	0	0	0	0	107.5	K135 P153 L154 A155 I157 S264 A266 P280	V133-K135 WeakPolarHBondContact CG1-O 3.5Å; V133-P153 CarbonylContact O-C 3.36Å; V133-L154 HydrophobicContact CG1-CD1 4.45Å; V133-L154 WeakPolarHBondContact O-CB 2.95Å; V133-L154 PolarHBondContact O-N 2.97Å; V133-A155 PolarHBondContact N-O 3.28Å; V133-I157 HydrophobicContact CG2-CD1 3.69Å; V133-I157 HydrophobicContact CG2-CG1 3.55Å; V133-S264 WeakPolarHBondContact CA-O 3.36Å; V133-A266 HydrophobicContact CG1-CB 3.57Å; V133-P280 HydrophobicContact CG2-CG 3.93Å
134	N	89.2	Confident	84.1	Confident	39 Å²	39	44 Å²	44	21%	0.209	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-27.7	-177.5	-60.3	-40.9	0	0	0	112.8	R151 E263 S264	N134-R151 CarbonylContact C-O 3.58Å; N134-R151 VanDerWaalsContact CA-O 3.3Å; N134-R151 WeakPolarHBondContact CA-O 3.22Å; N134-R151 CarbonylContact O-C 3.52Å; N134-R151 PolarHBondContact O-N 3.4Å; N134-E263 PolarHBondContact ND2-O 3Å; N134-S264 PolarHBondContact N-O 2.86Å; N134-S264 VanDerWaalsContact N-O 3.12Å
135	K	87.3	Confident	82.7	Confident	45 Å²	45	44.4 Å²	44.4	20%	0.196	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	148.3	-177	-65.1	-178.8	-172.3	177.1	0	109.2	V133 F149 Q150 E263 I265 A266	V133-K135 WeakPolarHBondContact CG1-O 3.5Å; K135-F149 CarbonylContact C-O 3.6Å; K135-F149 VanDerWaalsContact CA-O 3.26Å; K135-F149 WeakPolarHBondContact CA-O 3.47Å; K135-Q150 VanDerWaalsContact CE-OE1 3.26Å; K135-Q150 HydrophobicContact CG-CB 4.18Å; K135-Q150 HydrophobicContact CG-CG 3.88Å; K135-E263 WeakPolarHBondContact CD-OE2 3.34Å; K135-E263 WeakPolarHBondContact CE-OE2 3.18Å; K135-E263 IonicContact NZ-OE1 3.8Å; K135-E263 IonicContact NZ-OE2 2.73Å; K135-E263 PolarHBondContact NZ-OE2 3.38Å; K135-I265 HydrophobicContact CB-CG1 4.07Å; K135-I265 HydrophobicContact CD-CG1 4.45Å; K135-I265 CarbonylContact O-C 3.58Å; K135-I265 WeakPolarHBondContact O-CA 3.47Å; K135-A266 PolarHBondContact O-N 3.04Å
136	M	86.8	Confident	81.6	Confident	28 Å²	28	46.6 Å²	46.6	14%	0.138	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	120.9	172.3	-177.7	174.8	-175.4	0	0	108.8	V138 T148 F149 L154 A266 Q268 F337	M136-V138 HydrophobicContact CE-CG2 3.96Å; M136-V138 HydrophobicContact CG-CG2 4.02Å; M136-V138 HydrophobicContact SD-CG2 4.44Å; M136-T148 WeakPolarHBondContact O-CA 3.47Å; M136-F149 HydrophobicContact CB-CB 4.27Å; M136-F149 HydrophobicContact CB-CD2 4.47Å; M136-F149 PolarHBondContact N-O 2.99Å; M136-F149 PolarHBondContact O-N 3.34Å; M136-L154 HydrophobicContact CB-CD1 3.9Å; M136-A266 CarbonylContact C-O 3.39Å; M136-A266 VanDerWaalsContact CA-O 3.26Å; M136-A266 WeakPolarHBondContact CA-O 3.46Å; M136-A266 HydrophobicContact CB-CB 4.38Å; M136-A266 HydrophobicContact CG-CB 4.23Å; M136-Q268 HydrophobicContact CE-CB 3.83Å; M136-F337 HydrophobicContact CE-CE1 4.17Å; M136-F337 HydrophobicContact CE-CZ 3.6Å; M136-F337 HydrophobicContact SD-CE1 4.03Å; M136-F337 HydrophobicContact SD-CZ 3.94Å
137	K	86.9	Confident	80.7	Confident	44 Å²	44	42.5 Å²	42.5	19%	0.191	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.6	176.8	-70	-173.7	176.9	-173.4	0	109	L147 T148 I265 A266 W267 Q268 F360	K137-L147 WeakPolarHBondContact CA-O 3.49Å; K137-T148 HydrophobicContact CG-CG2 4.42Å; K137-I265 HydrophobicContact CB-CG2 4.28Å; K137-I265 HydrophobicContact CD-CG2 4.13Å; K137-I265 HydrophobicContact CG-CG2 3.92Å; K137-A266 PolarHBondContact N-O 2.92Å; K137-W267 WeakPolarHBondContact O-CA 3.38Å; K137-Q268 PolarHBondContact O-N 3.39Å; K137-F360 HydrophobicContact CB-CE2 4.34Å; K137-F360 HydrophobicContact CD-CE2 4.1Å
138	V	83.4	Confident	79.8	Confident	5 Å²	5	40.2 Å²	40.2	3%	0.03	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.6	-179.2	-175.3	0	0	0	0	109.1	M136 Y146 L147 F149 Q268 F270 F337	M136-V138 HydrophobicContact CE-CG2 3.96Å; M136-V138 HydrophobicContact CG-CG2 4.02Å; M136-V138 HydrophobicContact SD-CG2 4.44Å; V138-Y146 CarbonylContact O-C 3.55Å; V138-Y146 VanDerWaalsContact O-CA 3.22Å; V138-Y146 WeakPolarHBondContact O-CA 3.25Å; V138-L147 HydrophobicContact CB-CB 4.38Å; V138-L147 PolarHBondContact N-O 3.25Å; V138-L147 PolarHBondContact O-N 3.4Å; V138-F149 HydrophobicContact CB-CE2 4.35Å; V138-F149 HydrophobicContact CG2-CD2 4.03Å; V138-F149 HydrophobicContact CG2-CE2 3.75Å; V138-Q268 CarbonylContact C-O 3.36Å; V138-Q268 VanDerWaalsContact CA-O 3.23Å; V138-Q268 WeakPolarHBondContact CA-O 3.33Å; V138-Q268 HydrophobicContact CG2-CB 4.26Å; V138-F270 HydrophobicContact CG1-CD2 3.84Å; V138-F270 HydrophobicContact CG1-CE2 3.54Å; V138-F337 HydrophobicContact CG2-CE1 4.42Å
139	W	82.4	Confident	79.1	Confident	15 Å²	15	37.7 Å²	37.7	6%	0.057	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	170.9	177.1	75.1	106.1	0	0	0	111.6	W267 Q268 R269 F270 L316 F360 T362	W139-W267 HydrophobicContact CH2-CB 3.81Å; W139-W267 HydrophobicContact CH2-CG 4.24Å; W139-W267 HydrophobicContact CZ3-CB 3.6Å; W139-W267 AromaticContact CZ3-CD1 3.72Å; W139-W267 HydrophobicContact CZ3-CG 4.05Å; W139-Q268 PolarHBondContact N-O 2.79Å; W139-R269 HydrophobicContact CD2-CB 4.04Å; W139-R269 HydrophobicContact CD2-CG 4.14Å; W139-R269 HydrophobicContact CE3-CB 4.4Å; W139-R269 HydrophobicContact CG-CG 4.35Å; W139-R269 HydrophobicContact CH2-CB 4.08Å; W139-R269 HydrophobicContact CZ2-CB 3.67Å; W139-R269 HydrophobicContact CZ2-CG 4.04Å; W139-R269 HydrophobicContact CZ3-CB 4.43Å; W139-R269 VanDerWaalsContact NE1-CD 3.32Å; W139-R269 WeakPolarHBondContact O-CA 3.03Å; W139-F270 PolarHBondContact O-N 3.46Å; W139-L316 HydrophobicContact CH2-CD2 4.24Å; W139-L316 HydrophobicContact CZ2-CD2 4.11Å; W139-F360 HydrophobicContact CB-CZ 4.13Å; W139-F360 AromaticContact CD2-CE1 3.9Å; W139-F360 HydrophobicContact CD2-CE1 3.9Å; W139-F360 AromaticContact CD2-CZ 3.54Å; W139-F360 HydrophobicContact CD2-CZ 3.54Å; W139-F360 HydrophobicContact CE3-CE1 4.34Å; W139-F360 AromaticContact CE3-CZ 3.58Å; W139-F360 HydrophobicContact CE3-CZ 3.58Å; W139-F360 HydrophobicContact CG-CE1 4.01Å; W139-F360 AromaticContact CG-CZ 3.81Å; W139-F360 HydrophobicContact CG-CZ 3.81Å; W139-F360 HydrophobicContact CZ3-CZ 4.11Å; W139-T362 HydrophobicContact CZ2-CG2 4.19Å
140	E	74.8	Confident	78.4	Confident	17 Å²	17	40.2 Å²	40.2	8%	0.079	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	157	178.5	-179	-174	174.7	0	0	111.2	K142 S143 L330 Y465	E140-K142 PolarHBondContact O-N 2.99Å; E140-S143 VanDerWaalsContact O-O 3.11Å; E140-L330 HydrophobicContact CB-CD1 4.1Å; E140-L330 HydrophobicContact CB-CD2 3.82Å; E140-L330 HydrophobicContact CB-CG 4.32Å; E140-L330 VanDerWaalsContact OE2-CD1 3.26Å; E140-L330 WeakPolarHBondContact OE2-CD1 3.49Å; E140-L330 WeakPolarHBondContact OE2-CG 3.1Å; E140-Y465 HydrophobicContact CB-CE1 4.09Å; E140-Y465 HydrophobicContact CG-CD1 4.27Å; E140-Y465 HydrophobicContact CG-CE1 3.67Å; E140-Y465 WeakPolarHBondContact OE2-CE1 3.23Å
141	T	68.5	Low	77.5	Confident	11 Å²	11	42.1 Å²	42.1	7%	0.067	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.1	174.8	-61.4	0	0	0	0	116.2	R269 F270 L271 S320	T141-R269 PolarHBondContact OG1-NE 3.01Å; T141-R269 PolarHBondContact OG1-NH2 3.44Å; T141-F270 PolarHBondContact N-O 3.08Å; T141-F270 PolarHBondContact OG1-O 3.25Å; T141-L271 WeakPolarHBondContact OG1-CD2 3.46Å; T141-S320 PolarHBondContact O-N 3.47Å
142	K	62.3	Low	76.7	Confident	68 Å²	68	46.4 Å²	46.4	30%	0.296	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-4.3	-169	-66.1	-175.2	-179.9	174.8	0	114.4	E140 I326	E140-K142 PolarHBondContact O-N 2.99Å; K142-I326 HydrophobicContact CB-CD1 4.4Å; K142-I326 HydrophobicContact CD-CD1 3.41Å; K142-I326 VanDerWaalsContact CD-CD1 3.41Å
143	S	57.6	Low	76.2	Confident	28 Å²	28	45.5 Å²	45.5	20%	0.196	23%	0.227	C	C	.	.			trans	-140.3	159.5	177.5	98	0	0	0	0	111.1	E140 L145 L330	E140-S143 VanDerWaalsContact O-O 3.11Å; S143-L145 PolarHBondContact O-N 3.5Å; S143-L145 WeakPolarHBondContact OG-CB 3.46Å; S143-L145 PolarHBondContact OG-N 3.22Å; S143-L330 WeakPolarHBondContact OG-CD1 3.45Å
144	N	60.2	Low	75.9	Confident	164 Å²	164	46.3 Å²	46.3	88%	0.877	23%	0.231	S	C	*	.	S	Bend	trans	-85.8	8.3	172.7	-64.1	-17.3	0	0	0	112.7
145	L	64.5	Low	75.9	Confident	78 Å²	78	45.2 Å²	45.2	41%	0.408	23%	0.227	S	C	.	.			trans	-81.4	137.7	177.5	-58.9	171.7	0	0	0	110	S143 L330	S143-L145 PolarHBondContact O-N 3.5Å; S143-L145 WeakPolarHBondContact OG-CB 3.46Å; S143-L145 PolarHBondContact OG-N 3.22Å; L145-L330 HydrophobicContact CB-CD1 4.24Å; L145-L330 HydrophobicContact CD1-CD1 4.4Å
146	Y	70.7	Confident	76.2	Confident	47 Å²	47	45.1 Å²	45.1	18%	0.184	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.4	170.8	64.1	-85.4	0	0	0	109.4	V138 E354 F360	V138-Y146 CarbonylContact O-C 3.55Å; V138-Y146 VanDerWaalsContact O-CA 3.22Å; V138-Y146 WeakPolarHBondContact O-CA 3.25Å; Y146-E354 PolarHBondContact OH-O 3.45Å; Y146-F360 HydrophobicContact CD1-CB 4.43Å; Y146-F360 AromaticContact CD1-CD2 3.71Å; Y146-F360 HydrophobicContact CD1-CD2 3.71Å; Y146-F360 HydrophobicContact CD1-CE2 4.29Å; Y146-F360 HydrophobicContact CD1-CG 4.24Å; Y146-F360 AromaticContact CD2-CD2 3.95Å; Y146-F360 HydrophobicContact CD2-CD2 3.95Å; Y146-F360 HydrophobicContact CD2-CE2 4.08Å; Y146-F360 HydrophobicContact CE1-CB 4.35Å; Y146-F360 HydrophobicContact CE1-CD2 4.12Å; Y146-F360 HydrophobicContact CE2-CD2 4.32Å; Y146-F360 AromaticContact CG-CD2 3.63Å; Y146-F360 HydrophobicContact CG-CD2 3.63Å; Y146-F360 AromaticContact CG-CE2 3.79Å; Y146-F360 HydrophobicContact CG-CE2 3.79Å
147	L	75	Confident	76.6	Confident	29 Å²	29	44 Å²	44	15%	0.152	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.3	173.8	-62.8	166.3	0	0	0	108	K137 V138 F149	K137-L147 WeakPolarHBondContact CA-O 3.49Å; V138-L147 HydrophobicContact CB-CB 4.38Å; V138-L147 PolarHBondContact N-O 3.25Å; V138-L147 PolarHBondContact O-N 3.4Å; L147-F149 HydrophobicContact CB-CE2 3.97Å; L147-F149 HydrophobicContact CB-CZ 4.19Å; L147-F149 HydrophobicContact CD1-CZ 4.39Å
148	T	74.1	Confident	77	Confident	26 Å²	26	42 Å²	42	16%	0.16	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.2	173.7	-58	0	0	0	0	108.5	M136 K137	M136-T148 WeakPolarHBondContact O-CA 3.47Å; K137-T148 HydrophobicContact CG-CG2 4.42Å
149	F	75.1	Confident	77.4	Confident	3 Å²	3	42 Å²	42	1%	0.013	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.5	167.7	-55.2	-82.3	0	0	0	107.8	K135 M136 V138 L147 L154 F337 A338 I348	K135-F149 CarbonylContact C-O 3.6Å; K135-F149 VanDerWaalsContact CA-O 3.26Å; K135-F149 WeakPolarHBondContact CA-O 3.47Å; M136-F149 HydrophobicContact CB-CB 4.27Å; M136-F149 HydrophobicContact CB-CD2 4.47Å; M136-F149 PolarHBondContact N-O 2.99Å; M136-F149 PolarHBondContact O-N 3.34Å; V138-F149 HydrophobicContact CB-CE2 4.35Å; V138-F149 HydrophobicContact CG2-CD2 4.03Å; V138-F149 HydrophobicContact CG2-CE2 3.75Å; L147-F149 HydrophobicContact CB-CE2 3.97Å; L147-F149 HydrophobicContact CB-CZ 4.19Å; L147-F149 HydrophobicContact CD1-CZ 4.39Å; F149-L154 HydrophobicContact CB-CD1 4.44Å; F149-F337 HydrophobicContact CD2-CD1 4.22Å; F149-F337 HydrophobicContact CD2-CE1 4.04Å; F149-F337 HydrophobicContact CE1-CD1 4.17Å; F149-F337 AromaticContact CE2-CD1 3.47Å; F149-F337 HydrophobicContact CE2-CD1 3.47Å; F149-F337 VanDerWaalsContact CE2-CD1 3.47Å; F149-F337 AromaticContact CE2-CE1 3.7Å; F149-F337 HydrophobicContact CE2-CE1 3.7Å; F149-F337 AromaticContact CZ-CD1 3.44Å; F149-F337 HydrophobicContact CZ-CD1 3.44Å; F149-F337 VanDerWaalsContact CZ-CD1 3.44Å; F149-F337 HydrophobicContact CZ-CE1 4.1Å; F149-F337 HydrophobicContact CZ-CG 4.41Å; F149-A338 HydrophobicContact CE1-CB 3.97Å; F149-I348 HydrophobicContact CB-CG2 4.33Å; F149-I348 HydrophobicContact CD1-CG2 3.89Å
150	Q	75.5	Confident	77.9	Confident	90 Å²	90	42.3 Å²	42.3	42%	0.421	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	129.8	-179.6	179.1	169.5	-23.7	0	0	110.8	K135	K135-Q150 VanDerWaalsContact CE-OE1 3.26Å; K135-Q150 HydrophobicContact CG-CB 4.18Å; K135-Q150 HydrophobicContact CG-CG 3.88Å
151	R	74	Confident	78.8	Confident	68 Å²	68	43.7 Å²	43.7	26%	0.257	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	143.9	173	-166.9	177.6	176.2	-148	-11.5	108.5	D110 N134 P153 L154	D110-R151 IonicContact OD2-CZ 2.75Å; D110-R151 IonicContact OD2-NH1 3.17Å; D110-R151 PolarHBondContact OD2-NH1 3.42Å; D110-R151 VanDerWaalsContact OD2-NH1 3.11Å; D110-R151 IonicContact OD2-NH2 2.87Å; D110-R151 PolarHBondContact OD2-NH2 3.04Å; N134-R151 CarbonylContact C-O 3.58Å; N134-R151 VanDerWaalsContact CA-O 3.3Å; N134-R151 WeakPolarHBondContact CA-O 3.22Å; N134-R151 CarbonylContact O-C 3.52Å; N134-R151 PolarHBondContact O-N 3.4Å; R151-P153 CarbonylContact O-C 3.57Å; R151-P153 WeakPolarHBondContact O-CA 3.2Å; R151-L154 HydrophobicContact CB-CD2 3.41Å; R151-L154 VanDerWaalsContact CB-CD2 3.41Å; R151-L154 HydrophobicContact CB-CG 3.7Å; R151-L154 PolarHBondContact O-N 3.16Å; R151-L154 VanDerWaalsContact O-N 3.09Å
152	N	77	Confident	79.9	Confident	124 Å²	124	43.2 Å²	43.2	66%	0.663	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	94	-175.2	-68.5	-27.9	0	0	0	111.6
153	P	84.4	Confident	81.5	Confident	20 Å²	20	40 Å²	40	13%	0.13	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-90.8	165	-14.5	33.5	-26.9	0	0	0	112.8	P132 V133 R151 Y156	P132-P153 HydrophobicContact CB-CB 3.9Å; V133-P153 CarbonylContact O-C 3.36Å; R151-P153 CarbonylContact O-C 3.57Å; R151-P153 WeakPolarHBondContact O-CA 3.2Å; P153-Y156 HydrophobicContact CB-CE2 4.47Å; P153-Y156 HydrophobicContact CG-CD2 4.2Å; P153-Y156 HydrophobicContact CG-CE1 4.23Å; P153-Y156 HydrophobicContact CG-CE2 3.41Å; P153-Y156 VanDerWaalsContact CG-CE2 3.41Å; P153-Y156 VanDerWaalsContact CG-CZ 3.45Å; P153-Y156 WeakPolarHBondContact CG-OH 3.41Å
154	L	83.9	Confident	83.2	Confident	24 Å²	24	40.5 Å²	40.5	13%	0.126	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-43.4	168.6	-74.8	164.9	0	0	0	111.4	V133 M136 F149 R151 I348	V133-L154 HydrophobicContact CG1-CD1 4.45Å; V133-L154 WeakPolarHBondContact O-CB 2.95Å; V133-L154 PolarHBondContact O-N 2.97Å; M136-L154 HydrophobicContact CB-CD1 3.9Å; F149-L154 HydrophobicContact CB-CD1 4.44Å; R151-L154 HydrophobicContact CB-CD2 3.41Å; R151-L154 VanDerWaalsContact CB-CD2 3.41Å; R151-L154 HydrophobicContact CB-CG 3.7Å; R151-L154 PolarHBondContact O-N 3.16Å; R151-L154 VanDerWaalsContact O-N 3.09Å; L154-I348 HydrophobicContact CD2-CD1 4.19Å
155	A	89.8	Confident	84.7	Confident	15 Å²	15	33.6 Å²	33.6	12%	0.124	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	170.3	-178.6	0	0	0	0	0	109.9	A107 L108 V133	A107-A155 HydrophobicContact CB-CB 4.3Å; L108-A155 CarbonylContact O-C 3.57Å; L108-A155 VanDerWaalsContact O-CA 3.23Å; L108-A155 WeakPolarHBondContact O-CA 3.43Å; L108-A155 WeakPolarHBondContact O-CB 3.11Å; V133-A155 PolarHBondContact N-O 3.28Å
156	Y	93.9	Very high	86.2	Confident	44 Å²	44	30 Å²	30	17%	0.173	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.4	170.6	-68	-94.6	0	0	0	110.1	A107 L108 V113 W122 S130 Q131 P132 P153	A107-Y156 CarbonylContact C-O 3.52Å; A107-Y156 WeakPolarHBondContact CA-O 3.36Å; L108-Y156 PolarHBondContact N-O 2.77Å; L108-Y156 PolarHBondContact O-N 2.87Å; V113-Y156 HydrophobicContact CG2-CD2 3.69Å; V113-Y156 HydrophobicContact CG2-CE2 4.18Å; V113-Y156 HydrophobicContact CG2-CG 4.49Å; W122-Y156 AromaticContact CH2-CD1 3.95Å; W122-Y156 HydrophobicContact CH2-CD1 3.95Å; W122-Y156 AromaticContact CH2-CD2 3.94Å; W122-Y156 HydrophobicContact CH2-CD2 3.94Å; W122-Y156 HydrophobicContact CH2-CE2 4.49Å; W122-Y156 AromaticContact CH2-CG 3.6Å; W122-Y156 HydrophobicContact CH2-CG 3.6Å; W122-Y156 AromaticContact CZ2-CD1 3.85Å; W122-Y156 HydrophobicContact CZ2-CD1 3.85Å; W122-Y156 HydrophobicContact CZ2-CD2 4.05Å; W122-Y156 AromaticContact CZ2-CE1 3.97Å; W122-Y156 HydrophobicContact CZ2-CE1 3.97Å; W122-Y156 HydrophobicContact CZ2-CE2 4.15Å; W122-Y156 AromaticContact CZ2-CG 3.86Å; W122-Y156 HydrophobicContact CZ2-CG 3.86Å; S130-Y156 VanDerWaalsContact OG-CD1 3.31Å; S130-Y156 WeakPolarHBondContact OG-CD1 3.27Å; Q131-Y156 CarbonylContact O-C 3.49Å; Q131-Y156 WeakPolarHBondContact O-CA 3.18Å; P132-Y156 HydrophobicContact CB-CD1 4.15Å; P132-Y156 HydrophobicContact CB-CE1 4.01Å; P153-Y156 HydrophobicContact CB-CE2 4.47Å; P153-Y156 HydrophobicContact CG-CD2 4.2Å; P153-Y156 HydrophobicContact CG-CE1 4.23Å; P153-Y156 HydrophobicContact CG-CE2 3.41Å; P153-Y156 VanDerWaalsContact CG-CE2 3.41Å; P153-Y156 VanDerWaalsContact CG-CZ 3.45Å; P153-Y156 WeakPolarHBondContact CG-OH 3.41Å
157	I	94.8	Very high	87.3	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.7	173	-49.4	-53.1	0	0	0	108.7	V105 V106 A107 Q131 V133 L279 P280 L281	V105-I157 HydrophobicContact CB-CG2 3.77Å; V105-I157 HydrophobicContact CG1-CG2 4.44Å; V105-I157 HydrophobicContact CG2-CG2 3.66Å; V106-I157 WeakPolarHBondContact O-CA 3.43Å; A107-I157 HydrophobicContact CB-CD1 3.62Å; Q131-I157 PolarHBondContact N-O 2.67Å; Q131-I157 PolarHBondContact O-N 3.37Å; V133-I157 HydrophobicContact CG2-CD1 3.69Å; V133-I157 HydrophobicContact CG2-CG1 3.55Å; I157-L279 HydrophobicContact CD1-CB 4.05Å; I157-L279 HydrophobicContact CD1-CD1 4.22Å; I157-L279 HydrophobicContact CG1-CB 4.16Å; I157-P280 WeakPolarHBondContact CB-O 3.1Å; I157-P280 WeakPolarHBondContact CG1-O 3.31Å; I157-L281 HydrophobicContact CB-CD2 4.41Å; I157-L281 HydrophobicContact CG2-CD2 3.47Å; I157-L281 VanDerWaalsContact CG2-CD2 3.47Å
158	V	94.6	Very high	88.2	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.012	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.8	-176.7	-175.2	0	0	0	0	109.6	V105 V106 L108 I125 L162 V163	V105-V158 CarbonylContact C-O 3.57Å; V105-V158 VanDerWaalsContact CA-O 3.27Å; V105-V158 WeakPolarHBondContact CA-O 3.44Å; V105-V158 WeakPolarHBondContact CB-O 3.38Å; V106-V158 WeakPolarHBondContact CG2-O 3.14Å; V106-V158 PolarHBondContact N-O 2.82Å; V106-V158 PolarHBondContact O-N 2.82Å; L108-V158 HydrophobicContact CD1-CB 4.14Å; L108-V158 HydrophobicContact CD1-CG2 3.85Å; I125-V158 HydrophobicContact CG2-CB 4.41Å; I125-V158 HydrophobicContact CG2-CG1 3.5Å; I125-V158 VanDerWaalsContact CG2-CG1 3.5Å; I125-V158 HydrophobicContact CG2-CG2 3.93Å; V158-L162 HydrophobicContact CG1-CB 4.45Å; V158-L162 HydrophobicContact CG1-CD2 4.05Å; V158-L162 HydrophobicContact CG1-CG 4.39Å; V158-V163 HydrophobicContact CB-CG2 4.19Å; V158-V163 HydrophobicContact CG1-CG2 3.62Å
159	E	93.4	Very high	89	Confident	4 Å²	4	27.9 Å²	27.9	2%	0.019	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	135.3	174.3	-59.2	-177.9	-136.6	0	0	110.7	Y101 E102 V105 R129 D161 L162 V163	Y101-E159 WeakPolarHBondContact CD1-OE1 3.5Å; E102-E159 HydrophobicContact CB-CG 4.46Å; E102-E159 WeakPolarHBondContact CB-OE2 3.44Å; E102-E159 VanDerWaalsContact CG-OE2 3.32Å; E102-E159 WeakPolarHBondContact CG-OE2 3.34Å; E102-E159 PolarHBondContact N-OE2 3.36Å; E102-E159 VanDerWaalsContact N-OE2 3.08Å; V105-E159 HydrophobicContact CG1-CG 4.41Å; R129-E159 WeakPolarHBondContact CD-OE1 3.49Å; R129-E159 IonicContact CZ-OE1 3.85Å; R129-E159 IonicContact NE-OE1 2.7Å; R129-E159 IonicContact NH1-OE1 2.73Å; R129-E159 PolarHBondContact NH1-OE1 3.22Å; E159-D161 PolarHBondContact O-N 3.49Å; E159-L162 HydrophobicContact CB-CB 4.1Å; E159-L162 WeakPolarHBondContact O-CB 3.11Å; E159-L162 PolarHBondContact O-N 3.02Å; E159-V163 PolarHBondContact O-N 2.77Å
160	N	92.9	Very high	89.9	Confident	22 Å²	22	29.7 Å²	29.7	12%	0.118	15%	0.148	C	C	.	.	H	α-helix	trans	-61.2	-44.5	-174.9	-71.6	33.6	0	0	0	112.2	M64 R104 V105 V106 L162 V163 I164	M64-N160 HydrophobicContact CE-CB 4.37Å; M64-N160 WeakPolarHBondContact CE-ND2 3.24Å; M64-N160 HydrophobicContact SD-CB 4.23Å; R104-N160 VanDerWaalsContact C-OD1 3.24Å; R104-N160 HydrophobicContact CB-CB 4.29Å; R104-N160 PolarHBondContact O-N 2.99Å; R104-N160 PolarHBondContact O-OD1 3.4Å; R104-N160 VanDerWaalsContact O-OD1 3.11Å; V105-N160 WeakPolarHBondContact CA-OD1 3.47Å; V105-N160 PolarHBondContact N-OD1 3.27Å; V105-N160 PolarHBondContact O-OD1 2.87Å; V106-N160 VanDerWaalsContact CG1-OD1 3.29Å; V106-N160 WeakPolarHBondContact CG1-OD1 3.22Å; V106-N160 PolarHBondContact N-OD1 3.43Å; N160-L162 VanDerWaalsContact C-N 3.25Å; N160-L162 PolarHBondContact O-N 3.33Å; N160-V163 PolarHBondContact O-N 3.21Å; N160-I164 WeakPolarHBondContact O-CG1 3.06Å; N160-I164 PolarHBondContact O-N 2.8Å; N160-I164 VanDerWaalsContact O-N 3.08Å
161	D	92	Very high	90.7	Very high	47 Å²	47	25.5 Å²	25.5	25%	0.251	13%	0.128	S	C	.	.	H	α-helix	trans	-68.4	-28.5	-178.1	-74.1	3.1	0	0	0	110.9	Y95 E102 E159 I164 E165	Y95-D161 HydrophobicContact CD2-CB 4.24Å; E102-D161 WeakPolarHBondContact OE2-CB 3.41Å; E159-D161 PolarHBondContact O-N 3.49Å; D161-I164 PolarHBondContact O-N 2.72Å; D161-E165 WeakPolarHBondContact O-CB 3.35Å; D161-E165 PolarHBondContact O-N 2.92Å
162	L	93.1	Very high	91.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.6	-41.5	172.2	178.4	60	0	0	0	112	Y95 F124 I125 F128 R129 V158 E159 N160 S166	Y95-L162 HydrophobicContact CD1-CD1 4.4Å; Y95-L162 HydrophobicContact CE1-CD1 4.17Å; F124-L162 HydrophobicContact CD1-CD1 4.45Å; F124-L162 HydrophobicContact CE1-CD1 3.98Å; I125-L162 HydrophobicContact CG2-CD2 4.24Å; F128-L162 HydrophobicContact CB-CD1 3.9Å; F128-L162 HydrophobicContact CB-CD2 3.85Å; F128-L162 HydrophobicContact CD1-CD1 4.43Å; F128-L162 HydrophobicContact CG-CD1 4.05Å; R129-L162 HydrophobicContact CB-CD2 4.32Å; R129-L162 WeakPolarHBondContact O-CD2 3.23Å; V158-L162 HydrophobicContact CG1-CB 4.45Å; V158-L162 HydrophobicContact CG1-CD2 4.05Å; V158-L162 HydrophobicContact CG1-CG 4.39Å; E159-L162 HydrophobicContact CB-CB 4.1Å; E159-L162 WeakPolarHBondContact O-CB 3.11Å; E159-L162 PolarHBondContact O-N 3.02Å; N160-L162 VanDerWaalsContact C-N 3.25Å; N160-L162 PolarHBondContact O-N 3.33Å; L162-S166 WeakPolarHBondContact O-CB 3.22Å; L162-S166 PolarHBondContact O-N 3.47Å; L162-S166 PolarHBondContact O-OG 2.79Å
163	V	94.7	Very high	92	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.8	-49	175.3	179	0	0	0	0	110.2	M64 V106 L108 I125 V158 E159 N160 E165 S166 L167 F414	M64-V163 HydrophobicContact CG-CB 4.37Å; M64-V163 HydrophobicContact CG-CG1 4.16Å; M64-V163 HydrophobicContact SD-CB 4.49Å; V106-V163 HydrophobicContact CG2-CG2 4.17Å; L108-V163 HydrophobicContact CD1-CG2 4.22Å; I125-V163 HydrophobicContact CD1-CG2 4.46Å; V158-V163 HydrophobicContact CB-CG2 4.19Å; V158-V163 HydrophobicContact CG1-CG2 3.62Å; E159-V163 PolarHBondContact O-N 2.77Å; N160-V163 PolarHBondContact O-N 3.21Å; V163-E165 PolarHBondContact O-N 3.21Å; V163-S166 PolarHBondContact O-N 3.32Å; V163-S166 PolarHBondContact O-OG 2.92Å; V163-L167 HydrophobicContact CG1-CD1 4.05Å; V163-L167 WeakPolarHBondContact O-CG 3.29Å; V163-L167 PolarHBondContact O-N 3.24Å; V163-F414 HydrophobicContact CG1-CZ 4.09Å
164	I	94.3	Very high	92.1	Very high	40 Å²	40	24.8 Å²	24.8	21%	0.205	13%	0.134	C	C	.	.	H	α-helix	trans	-58.8	-48.5	178.8	-67.8	171.1	0	0	0	110.5	M64 F67 N160 D161 S166 L167 R168	M64-I164 HydrophobicContact CB-CG1 4.47Å; M64-I164 HydrophobicContact CG-CD1 4.09Å; M64-I164 HydrophobicContact CG-CG1 3.57Å; F67-I164 HydrophobicContact CD2-CG2 3.79Å; F67-I164 HydrophobicContact CE2-CG2 3.77Å; N160-I164 WeakPolarHBondContact O-CG1 3.06Å; N160-I164 PolarHBondContact O-N 2.8Å; N160-I164 VanDerWaalsContact O-N 3.08Å; D161-I164 PolarHBondContact O-N 2.72Å; I164-S166 PolarHBondContact O-N 3.22Å; I164-L167 PolarHBondContact O-N 3.26Å; I164-R168 VanDerWaalsContact O-CB 3.22Å; I164-R168 WeakPolarHBondContact O-CB 3.44Å; I164-R168 PolarHBondContact O-N 3.11Å
165	E	92.2	Very high	91.6	Very high	18 Å²	18	27 Å²	27	8%	0.084	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-44.3	179.1	178.8	69.6	-176.4	0	0	112	D161 V163 L167 R168 N169	D161-E165 WeakPolarHBondContact O-CB 3.35Å; D161-E165 PolarHBondContact O-N 2.92Å; V163-E165 PolarHBondContact O-N 3.21Å; E165-L167 VanDerWaalsContact C-N 3.33Å; E165-L167 PolarHBondContact O-N 2.7Å; E165-R168 PolarHBondContact O-N 2.56Å; E165-R168 IonicContact OE1-CZ 3.3Å; E165-R168 IonicContact OE1-NH2 2.59Å; E165-R168 PolarHBondContact OE1-NH2 2.78Å; E165-R168 IonicContact OE2-CZ 2.97Å; E165-R168 IonicContact OE2-NE 3.83Å; E165-R168 PolarHBondContact OE2-NE 3.43Å; E165-R168 IonicContact OE2-NH2 2.98Å; E165-R168 PolarHBondContact OE2-NH2 3.07Å; E165-N169 WeakPolarHBondContact CG-ND2 3.23Å; E165-N169 WeakPolarHBondContact O-CB 3.34Å; E165-N169 VanDerWaalsContact O-CG 3.3Å; E165-N169 PolarHBondContact O-N 2.94Å; E165-N169 PolarHBondContact O-ND2 2.81Å; E165-N169 PolarHBondContact OE1-ND2 2.95Å; E165-N169 PolarHBondContact OE1-OD1 2.69Å
166	S	94.1	Very high	90.6	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-43.7	-179.3	73.8	0	0	0	0	111.8	I125 L162 V163 I164 H170	I125-S166 WeakPolarHBondContact CD1-OG 3.41Å; L162-S166 WeakPolarHBondContact O-CB 3.22Å; L162-S166 PolarHBondContact O-N 3.47Å; L162-S166 PolarHBondContact O-OG 2.79Å; V163-S166 PolarHBondContact O-N 3.32Å; V163-S166 PolarHBondContact O-OG 2.92Å; I164-S166 PolarHBondContact O-N 3.22Å; S166-H170 WeakPolarHBondContact O-CB 3.34Å; S166-H170 PolarHBondContact O-N 2.84Å
167	L	95.2	Very high	89.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.4	-41.8	177.6	-68.3	164.7	0	0	0	111.3	F67 A71 L116 I119 V121 V163 I164 E165 H170 L171	F67-L167 HydrophobicContact CB-CB 3.81Å; F67-L167 HydrophobicContact CB-CD1 4.1Å; A71-L167 HydrophobicContact CB-CD2 3.98Å; L116-L167 HydrophobicContact CD2-CD2 4Å; L116-L167 HydrophobicContact CD2-CG 4.46Å; I119-L167 HydrophobicContact CD1-CD2 4.22Å; V121-L167 HydrophobicContact CG2-CD2 4.07Å; V163-L167 HydrophobicContact CG1-CD1 4.05Å; V163-L167 WeakPolarHBondContact O-CG 3.29Å; V163-L167 PolarHBondContact O-N 3.24Å; I164-L167 PolarHBondContact O-N 3.26Å; E165-L167 VanDerWaalsContact C-N 3.33Å; E165-L167 PolarHBondContact O-N 2.7Å; L167-H170 PolarHBondContact O-N 2.73Å; L167-L171 WeakPolarHBondContact O-CG 3.3Å; L167-L171 PolarHBondContact O-N 3.22Å
168	R	92.6	Very high	88.5	Confident	8 Å²	8	39 Å²	39	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-48.8	177.9	-168.3	-172.6	68.6	59.3	2.2	111.5	F67 I164 E165 H170 L171 E172 Y184	F67-R168 HydrophobicContact CE1-CB 4.31Å; F67-R168 HydrophobicContact CE1-CG 4.1Å; F67-R168 HydrophobicContact CZ-CB 4.41Å; F67-R168 HydrophobicContact CZ-CG 4.08Å; I164-R168 VanDerWaalsContact O-CB 3.22Å; I164-R168 WeakPolarHBondContact O-CB 3.44Å; I164-R168 PolarHBondContact O-N 3.11Å; E165-R168 PolarHBondContact O-N 2.56Å; E165-R168 IonicContact OE1-CZ 3.3Å; E165-R168 IonicContact OE1-NH2 2.59Å; E165-R168 PolarHBondContact OE1-NH2 2.78Å; E165-R168 IonicContact OE2-CZ 2.97Å; E165-R168 IonicContact OE2-NE 3.83Å; E165-R168 PolarHBondContact OE2-NE 3.43Å; E165-R168 IonicContact OE2-NH2 2.98Å; E165-R168 PolarHBondContact OE2-NH2 3.07Å; R168-H170 VanDerWaalsContact C-N 3.33Å; R168-H170 PolarHBondContact O-N 2.87Å; R168-L171 PolarHBondContact O-N 3.1Å; R168-E172 IonicContact CZ-OE2 3.78Å; R168-E172 IonicContact NH1-OE1 2.88Å; R168-E172 PolarHBondContact NH1-OE1 2.86Å; R168-E172 IonicContact NH1-OE2 3.89Å; R168-E172 PolarHBondContact NH1-OE2 2.78Å; R168-E172 WeakPolarHBondContact O-CB 3.47Å; R168-E172 WeakPolarHBondContact O-CG 3.15Å; R168-E172 PolarHBondContact O-N 2.71Å; R168-Y184 WeakPolarHBondContact CD-OH 3.4Å; R168-Y184 WeakPolarHBondContact CG-OH 3.39Å
169	N	92	Very high	88.2	Confident	49 Å²	49	39.9 Å²	39.9	26%	0.262	23%	0.228	S	C	.	.	H	α-helix	trans	-65.2	-37.3	178.8	-73.1	-17.2	0	0	0	111.8	E165 E172 S173	E165-N169 WeakPolarHBondContact CG-ND2 3.23Å; E165-N169 WeakPolarHBondContact O-CB 3.34Å; E165-N169 VanDerWaalsContact O-CG 3.3Å; E165-N169 PolarHBondContact O-N 2.94Å; E165-N169 PolarHBondContact O-ND2 2.81Å; E165-N169 PolarHBondContact OE1-ND2 2.95Å; E165-N169 PolarHBondContact OE1-OD1 2.69Å; N169-E172 PolarHBondContact O-N 2.7Å; N169-S173 VanDerWaalsContact O-CB 3.27Å; N169-S173 WeakPolarHBondContact O-CB 3.44Å; N169-S173 PolarHBondContact O-N 3.12Å
170	H	92.9	Very high	88.2	Confident	42 Å²	42	39.8 Å²	39.8	19%	0.194	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-51.4	172.9	175.2	83.9	0	0	0	111.6	I119 V121 S166 L167 R168 E172 S173 I174	I119-H170 WeakPolarHBondContact CG2-NE2 3.4Å; I119-H170 PolarHBondContact O-CE1 3.3Å; V121-H170 HydrophobicContact CG1-CB 3.44Å; V121-H170 VanDerWaalsContact CG1-CB 3.44Å; S166-H170 WeakPolarHBondContact O-CB 3.34Å; S166-H170 PolarHBondContact O-N 2.84Å; L167-H170 PolarHBondContact O-N 2.73Å; R168-H170 VanDerWaalsContact C-N 3.33Å; R168-H170 PolarHBondContact O-N 2.87Å; H170-E172 VanDerWaalsContact C-N 3.32Å; H170-E172 PolarHBondContact O-N 3.04Å; H170-S173 WeakPolarHBondContact O-CB 3.46Å; H170-S173 PolarHBondContact O-N 2.78Å; H170-I174 WeakPolarHBondContact O-CG1 3Å; H170-I174 PolarHBondContact O-N 3.3Å; H170-I174 VanDerWaalsContact O-N 3.1Å
171	L	92.7	Very high	88.3	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-39.6	178.2	-73.5	169.2	0	0	0	112.6	F67 A70 A71 A74 L167 R168 I174 N175 V180 I182	F67-L171 HydrophobicContact CD1-CD1 3.78Å; A70-L171 HydrophobicContact CB-CD1 3.81Å; A70-L171 HydrophobicContact CB-CD2 4.32Å; A71-L171 HydrophobicContact CB-CD1 4.48Å; A71-L171 HydrophobicContact CB-CD2 4.17Å; A71-L171 HydrophobicContact CB-CG 4.24Å; A74-L171 HydrophobicContact CB-CD2 4.26Å; L167-L171 WeakPolarHBondContact O-CG 3.3Å; L167-L171 PolarHBondContact O-N 3.22Å; R168-L171 PolarHBondContact O-N 3.1Å; L171-I174 HydrophobicContact CD2-CD1 4.13Å; L171-I174 VanDerWaalsContact O-CG1 3.22Å; L171-I174 WeakPolarHBondContact O-CG1 3.4Å; L171-I174 PolarHBondContact O-N 2.69Å; L171-N175 WeakPolarHBondContact O-CB 3.28Å; L171-N175 PolarHBondContact O-N 3.23Å; L171-V180 HydrophobicContact CD2-CB 4.49Å; L171-V180 HydrophobicContact CD2-CG1 4.31Å; L171-V180 HydrophobicContact CD2-CG2 4.31Å; L171-I182 HydrophobicContact CB-CD1 3.83Å; L171-I182 HydrophobicContact CD1-CD1 4.2Å
172	E	90.5	Very high	88.4	Confident	56 Å²	56	40.1 Å²	40.1	26%	0.262	23%	0.231	S	C	.	.	H	α-helix	trans	-68.6	-37.9	176.6	-74.9	-179.8	179.5	0	0	112.5	K92 R168 N169 H170 I174 N175 Y184	K92-E172 IonicContact NZ-OE1 3.9Å; K92-E172 PolarHBondContact NZ-OE1 3Å; K92-E172 IonicContact NZ-OE2 2.85Å; K92-E172 PolarHBondContact NZ-OE2 2.73Å; R168-E172 IonicContact CZ-OE2 3.78Å; R168-E172 IonicContact NH1-OE1 2.88Å; R168-E172 PolarHBondContact NH1-OE1 2.86Å; R168-E172 IonicContact NH1-OE2 3.89Å; R168-E172 PolarHBondContact NH1-OE2 2.78Å; R168-E172 WeakPolarHBondContact O-CB 3.47Å; R168-E172 WeakPolarHBondContact O-CG 3.15Å; R168-E172 PolarHBondContact O-N 2.71Å; N169-E172 PolarHBondContact O-N 2.7Å; H170-E172 VanDerWaalsContact C-N 3.32Å; H170-E172 PolarHBondContact O-N 3.04Å; E172-I174 VanDerWaalsContact C-N 3.29Å; E172-I174 PolarHBondContact O-N 2.78Å; E172-N175 WeakPolarHBondContact O-CB 3.46Å; E172-N175 PolarHBondContact O-N 2.8Å; E172-Y184 PolarHBondContact OE1-OH 2.94Å
173	S	89	Confident	88.4	Confident	99 Å²	99	42.2 Å²	42.2	69%	0.692	24%	0.242	S	C	*	.	H	α-helix	trans	-61.4	-38.8	175.5	-177.8	0	0	0	0	111.8	N169 H170	N169-S173 VanDerWaalsContact O-CB 3.27Å; N169-S173 WeakPolarHBondContact O-CB 3.44Å; N169-S173 PolarHBondContact O-N 3.12Å; H170-S173 WeakPolarHBondContact O-CB 3.46Å; H170-S173 PolarHBondContact O-N 2.78Å
174	I	86.4	Confident	88.4	Confident	43 Å²	43	44 Å²	44	22%	0.221	25%	0.249	C	C	.	.	H	α-helix	trans	-86.4	-9.9	177.9	67.8	172.7	0	0	0	113.5	A74 H170 L171 E172 N176 S177 S178	A74-I174 HydrophobicContact CB-CD1 3.73Å; H170-I174 WeakPolarHBondContact O-CG1 3Å; H170-I174 PolarHBondContact O-N 3.3Å; H170-I174 VanDerWaalsContact O-N 3.1Å; L171-I174 HydrophobicContact CD2-CD1 4.13Å; L171-I174 VanDerWaalsContact O-CG1 3.22Å; L171-I174 WeakPolarHBondContact O-CG1 3.4Å; L171-I174 PolarHBondContact O-N 2.69Å; E172-I174 VanDerWaalsContact C-N 3.29Å; E172-I174 PolarHBondContact O-N 2.78Å; I174-N176 PolarHBondContact O-N 2.74Å; I174-N176 VanDerWaalsContact O-N 3.11Å; I174-S177 CarbonylContact O-C 3.49Å; I174-S177 WeakPolarHBondContact O-CA 3.37Å; I174-S177 PolarHBondContact O-N 3.46Å; I174-S178 WeakPolarHBondContact O-CB 3.46Å; I174-S178 PolarHBondContact O-N 2.99Å; I174-S178 PolarHBondContact O-OG 2.74Å
175	N	72.7	Confident	88.4	Confident	69 Å²	69	44.9 Å²	44.9	37%	0.369	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-36.4	-170.1	-163.6	12	0	0	0	113.3	L171 E172 S177 S178 V180	L171-N175 WeakPolarHBondContact O-CB 3.28Å; L171-N175 PolarHBondContact O-N 3.23Å; E172-N175 WeakPolarHBondContact O-CB 3.46Å; E172-N175 PolarHBondContact O-N 2.8Å; N175-S177 PolarHBondContact O-N 3.25Å; N175-S178 WeakPolarHBondContact CA-OG 3.32Å; N175-S178 PolarHBondContact O-N 3.39Å; N175-V180 PolarHBondContact OD1-O 3.35Å
176	N	68.5	Low	88.6	Confident	167 Å²	167	44.1 Å²	44.1	89%	0.893	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.1	175.7	-69.9	-22.5	0	0	0	114	I174	I174-N176 PolarHBondContact O-N 2.74Å; I174-N176 VanDerWaalsContact O-N 3.11Å
177	S	68.4	Low	88.6	Confident	120 Å²	120	48.1 Å²	48.1	84%	0.839	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-4.6	-177.6	-57.8	0	0	0	0	113.2	I174 N175	I174-S177 CarbonylContact O-C 3.49Å; I174-S177 WeakPolarHBondContact O-CA 3.37Å; I174-S177 PolarHBondContact O-N 3.46Å; N175-S177 PolarHBondContact O-N 3.25Å
178	S	75.4	Confident	88.6	Confident	29 Å²	29	48.4 Å²	48.4	20%	0.203	27%	0.269	C	S	.	.	S	Bend	trans	-114.4	161	-169.8	79.2	0	0	0	0	112.2	I174 N175 V180	I174-S178 WeakPolarHBondContact O-CB 3.46Å; I174-S178 PolarHBondContact O-N 2.99Å; I174-S178 PolarHBondContact O-OG 2.74Å; N175-S178 WeakPolarHBondContact CA-OG 3.32Å; N175-S178 PolarHBondContact O-N 3.39Å; S178-V180 VanDerWaalsContact C-N 3.29Å; S178-V180 PolarHBondContact O-N 2.7Å
179	N	88.7	Confident	88.7	Confident	21 Å²	21	50.7 Å²	50.7	11%	0.112	28%	0.28	C	S	.	.	S	Bend	trans	-85.6	11	-179.7	54.9	-46.2	0	0	0	113.6	L79 G80 K82 I84	L79-N179 PolarHBondContact O-ND2 2.7Å; G80-N179 WeakPolarHBondContact O-CB 3.24Å; G80-N179 PolarHBondContact O-ND2 2.78Å; G80-N179 PolarHBondContact O-OD1 2.96Å; K82-N179 VanDerWaalsContact O-CB 3.25Å; K82-N179 WeakPolarHBondContact O-CB 3.48Å; K82-N179 PolarHBondContact O-ND2 2.79Å; I84-N179 PolarHBondContact N-O 2.95Å
180	V	93.8	Very high	88.8	Confident	2 Å²	2	53 Å²	53	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.5	-173.6	-174	0	0	0	0	111.8	A70 A74 I84 L171 N175 S178 I182	A70-V180 HydrophobicContact CB-CG1 4.28Å; A74-V180 HydrophobicContact CB-CG2 3.73Å; I84-V180 HydrophobicContact CB-CG2 4.19Å; I84-V180 HydrophobicContact CD1-CG2 4.31Å; I84-V180 CarbonylContact O-C 3.59Å; I84-V180 WeakPolarHBondContact O-CA 3.31Å; L171-V180 HydrophobicContact CD2-CB 4.49Å; L171-V180 HydrophobicContact CD2-CG1 4.31Å; L171-V180 HydrophobicContact CD2-CG2 4.31Å; N175-V180 PolarHBondContact OD1-O 3.35Å; S178-V180 VanDerWaalsContact C-N 3.29Å; S178-V180 PolarHBondContact O-N 2.7Å; V180-I182 HydrophobicContact CG1-CG1 4.24Å
181	T	94.2	Very high	89	Confident	52 Å²	52	51.8 Å²	51.8	32%	0.319	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.2	170.2	-56.7	0	0	0	0	110.1	I84 L85 L86 L183	I84-T181 PolarHBondContact O-N 3.46Å; L85-T181 CarbonylContact C-O 3.52Å; L85-T181 WeakPolarHBondContact CA-O 3.34Å; L85-T181 HydrophobicContact CD1-CG2 3.91Å; L86-T181 PolarHBondContact N-O 3.34Å; T181-L183 HydrophobicContact CG2-CD2 4.38Å
182	I	94.5	Very high	89.2	Confident	24 Å²	24	57.3 Å²	57.3	12%	0.123	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.4	176.6	-53.5	170.8	0	0	0	109.2	F67 L86 L171 V180 Y184	F67-I182 HydrophobicContact CE1-CD1 4.28Å; F67-I182 HydrophobicContact CE1-CG2 4.31Å; L86-I182 HydrophobicContact CB-CG1 4.43Å; L86-I182 HydrophobicContact CD2-CG1 4.41Å; L86-I182 HydrophobicContact CD2-CG2 4.41Å; L171-I182 HydrophobicContact CB-CD1 3.83Å; L171-I182 HydrophobicContact CD1-CD1 4.2Å; V180-I182 HydrophobicContact CG1-CG1 4.24Å; I182-Y184 HydrophobicContact CG2-CD2 4.28Å; I182-Y184 HydrophobicContact CG2-CE1 4.16Å; I182-Y184 HydrophobicContact CG2-CE2 3.82Å
183	L	94.3	Very high	89.4	Confident	43 Å²	43	57 Å²	57	23%	0.225	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.5	172.3	-61.7	-178.2	0	0	0	109.9	L85 L86 L87 E88 T181 A186 V207	L85-L183 HydrophobicContact CD1-CD1 3.78Å; L85-L183 HydrophobicContact CD1-CG 3.82Å; L86-L183 PolarHBondContact O-N 3.18Å; L87-L183 HydrophobicContact CD2-CB 4.03Å; L87-L183 HydrophobicContact CD2-CD1 3.92Å; L87-L183 HydrophobicContact CD2-CG 4.38Å; E88-L183 PolarHBondContact N-O 3.42Å; T181-L183 HydrophobicContact CG2-CD2 4.38Å; L183-A186 HydrophobicContact CB-CB 3.67Å; L183-V207 HydrophobicContact CD1-CG1 3.99Å
184	Y	94.4	Very high	89.5	Confident	39 Å²	39	53.3 Å²	53.3	15%	0.153	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	157.2	172.3	-60.3	-82.4	0	0	0	111.5	F67 E88 K92 R168 E172 I182 A186 Q209	F67-Y184 HydrophobicContact CZ-CE1 4.16Å; E88-Y184 HydrophobicContact CB-CD1 4.2Å; E88-Y184 HydrophobicContact CG-CD1 4.21Å; E88-Y184 CarbonylContact O-C 3.58Å; E88-Y184 WeakPolarHBondContact O-CA 3.42Å; K92-Y184 HydrophobicContact CB-CD1 4.17Å; K92-Y184 HydrophobicContact CB-CD2 4.46Å; K92-Y184 HydrophobicContact CB-CE1 4.17Å; K92-Y184 HydrophobicContact CB-CE2 4.46Å; K92-Y184 HydrophobicContact CB-CG 4.31Å; K92-Y184 HydrophobicContact CD-CE2 4.37Å; R168-Y184 WeakPolarHBondContact CD-OH 3.4Å; R168-Y184 WeakPolarHBondContact CG-OH 3.39Å; E172-Y184 PolarHBondContact OE1-OH 2.94Å; I182-Y184 HydrophobicContact CG2-CD2 4.28Å; I182-Y184 HydrophobicContact CG2-CE1 4.16Å; I182-Y184 HydrophobicContact CG2-CE2 3.82Å; Y184-A186 PolarHBondContact O-N 3.42Å; Y184-Q209 PolarHBondContact O-NE2 3.09Å
185	E	94.7	Very high	89.7	Confident	58 Å²	58	53.8 Å²	53.8	27%	0.271	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	34.6	-172.2	-51.8	-170.7	-179.9	0	0	112.9	E88 S89 S90 Q209 R210 T211	E88-E185 WeakPolarHBondContact O-CA 3.42Å; E88-E185 PolarHBondContact O-N 3.19Å; S89-E185 WeakPolarHBondContact O-CA 2.98Å; S90-E185 PolarHBondContact O-N 3.21Å; S90-E185 VanDerWaalsContact O-N 3.12Å; E185-Q209 WeakPolarHBondContact O-CA 3.48Å; E185-R210 HydrophobicContact CB-CB 4.19Å; E185-R210 PolarHBondContact O-N 2.83Å; E185-T211 HydrophobicContact CB-CG2 4.08Å; E185-T211 VanDerWaalsContact CD-CG2 3.41Å; E185-T211 HydrophobicContact CG-CG2 4.03Å; E185-T211 WeakPolarHBondContact OE2-CG2 3.39Å
186	A	95	Very high	90.3	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.4	-176.2	0	0	0	0	0	110.5	L87 E88 S89 L183 Y184 V207 Q208 Q209	L87-A186 HydrophobicContact CD2-CB 4.15Å; E88-A186 CarbonylContact C-O 3.51Å; E88-A186 PolarHBondContact O-N 2.83Å; S89-A186 WeakPolarHBondContact CA-O 3.47Å; S89-A186 PolarHBondContact N-O 3.11Å; L183-A186 HydrophobicContact CB-CB 3.67Å; Y184-A186 PolarHBondContact O-N 3.42Å; A186-V207 HydrophobicContact CB-CG1 4.14Å; A186-Q208 VanDerWaalsContact CA-O 3.29Å; A186-Q208 WeakPolarHBondContact CA-O 3.36Å; A186-Q209 HydrophobicContact CB-CG 4.49Å
187	Q	94.7	Very high	91.2	Very high	87 Å²	87	60.7 Å²	60.7	41%	0.407	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149.1	177.5	-65.1	-176.6	-6.6	0	0	110.1	Q208	Q187-Q208 PolarHBondContact N-O 2.88Å; Q187-Q208 PolarHBondContact O-N 2.85Å
188	A	95.9	Very high	92.3	Very high	6 Å²	6	59 Å²	59	5%	0.05	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	133.8	170.7	0	0	0	0	0	109.9	V60 L87 I191 L205 D206 L232	V60-A188 HydrophobicContact CG1-CB 3.96Å; V60-A188 HydrophobicContact CG2-CB 3.91Å; L87-A188 HydrophobicContact CD1-CB 4.09Å; A188-I191 HydrophobicContact CB-CD1 4.21Å; A188-I191 HydrophobicContact CB-CG1 4.4Å; A188-L205 HydrophobicContact CB-CD1 3.68Å; A188-D206 CarbonylContact C-O 3.52Å; A188-D206 WeakPolarHBondContact CA-O 3.49Å; A188-L232 WeakPolarHBondContact O-CD2 3.34Å
189	E	94.8	Very high	92.8	Very high	56 Å²	56	60.6 Å²	60.6	26%	0.262	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	164.4	172.2	-63	-169.2	155.5	0	0	110	I191 D206 Q208 R215	E189-I191 VanDerWaalsContact C-N 3.29Å; E189-I191 PolarHBondContact O-N 2.82Å; E189-I191 VanDerWaalsContact O-N 3.13Å; E189-D206 HydrophobicContact CB-CB 4.2Å; E189-D206 PolarHBondContact N-O 2.59Å; E189-D206 PolarHBondContact O-N 3.3Å; E189-Q208 PolarHBondContact OE1-OE1 3.1Å; E189-Q208 VanDerWaalsContact OE1-OE1 3.11Å; E189-R215 IonicContact OE2-CZ 3.32Å; E189-R215 IonicContact OE2-NH1 3.38Å; E189-R215 IonicContact OE2-NH2 4Å; E189-R215 PolarHBondContact OE2-NH2 3.4Å
190	N	94.3	Very high	92.8	Very high	98 Å²	98	64.6 Å²	64.6	52%	0.524	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	46.2	48.3	171.4	-65.2	-21.3	0	0	0	114.5	Q192 D206 R215	N190-Q192 PolarHBondContact O-N 3.45Å; N190-D206 HydrophobicContact CB-CB 4.43Å; N190-D206 WeakPolarHBondContact CB-OD2 3.3Å; N190-D206 PolarHBondContact ND2-OD2 3.09Å; N190-R215 PolarHBondContact ND2-NH2 2.96Å
191	I	96.8	Very high	92.8	Very high	17 Å²	17	69.2 Å²	69.2	9%	0.087	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	119.5	-179.9	-58.8	162.9	0	0	0	109	A188 E189 L193 V203 R204 L205 L223 L232 V233 T236	A188-I191 HydrophobicContact CB-CD1 4.21Å; A188-I191 HydrophobicContact CB-CG1 4.4Å; E189-I191 VanDerWaalsContact C-N 3.29Å; E189-I191 PolarHBondContact O-N 2.82Å; E189-I191 VanDerWaalsContact O-N 3.13Å; I191-L193 HydrophobicContact CG2-CD2 3.77Å; I191-L193 HydrophobicContact CG2-CG 4.25Å; I191-V203 HydrophobicContact CG2-CG1 4.06Å; I191-R204 CarbonylContact C-O 3.26Å; I191-R204 WeakPolarHBondContact CA-O 3.17Å; I191-L205 HydrophobicContact CB-CB 4.46Å; I191-L205 HydrophobicContact CG1-CB 3.88Å; I191-L223 HydrophobicContact CD1-CD2 4.16Å; I191-L223 HydrophobicContact CG1-CD2 4.49Å; I191-L223 HydrophobicContact CG2-CD2 3.52Å; I191-L232 HydrophobicContact CD1-CD2 4.06Å; I191-L232 HydrophobicContact CD1-CG 4.1Å; I191-V233 HydrophobicContact CD1-CG2 4.17Å; I191-T236 HydrophobicContact CB-CG2 3.72Å; I191-T236 HydrophobicContact CG2-CG2 3.83Å; I191-T236 WeakPolarHBondContact O-CG2 3.3Å
192	Q	95.5	Very high	92.8	Very high	116 Å²	116	68.4 Å²	68.4	54%	0.542	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	113.2	175.2	-62.4	168.8	20.6	0	0	108.6	N190 V203 R204	N190-Q192 PolarHBondContact O-N 3.45Å; Q192-V203 WeakPolarHBondContact O-CA 2.99Å; Q192-R204 HydrophobicContact CB-CB 4.26Å; Q192-R204 PolarHBondContact N-O 3.46Å; Q192-R204 PolarHBondContact O-N 2.98Å
193	L	94.7	Very high	92.9	Very high	51 Å²	51	67.2 Å²	67.2	27%	0.267	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-91.2	153.9	178.6	-60.5	-178.8	0	0	0	110.9	I191 V203 L223 T236 A237 V392	I191-L193 HydrophobicContact CG2-CD2 3.77Å; I191-L193 HydrophobicContact CG2-CG 4.25Å; L193-V203 HydrophobicContact CD2-CB 4.49Å; L193-V203 HydrophobicContact CD2-CG1 3.86Å; L193-V203 HydrophobicContact CD2-CG2 3.85Å; L193-L223 HydrophobicContact CD2-CD2 4.34Å; L193-T236 HydrophobicContact CD1-CG2 4.15Å; L193-T236 HydrophobicContact CG-CG2 4.15Å; L193-A237 HydrophobicContact CD1-CB 3.88Å; L193-V392 HydrophobicContact CD1-CG2 4Å; L193-V392 HydrophobicContact CD2-CG2 3.44Å; L193-V392 VanDerWaalsContact CD2-CG2 3.44Å; L193-V392 HydrophobicContact CG-CG2 4.36Å
194	P	92.2	Very high	93	Very high	21 Å²	21	70.7 Å²	70.7	14%	0.136	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-59.1	140.2	174	25.8	-36.2	0	0	0	111.4	H198 H201 T390 R391	P194-H198 WeakPolarHBondContact CB-O 3.36Å; P194-H201 HydrophobicContact CB-CB 4.14Å; P194-H201 WeakPolarHBondContact CB-O 3.27Å; P194-T390 HydrophobicContact CG-CG2 3.93Å; P194-R391 HydrophobicContact CG-CB 4.44Å; P194-R391 HydrophobicContact CG-CG 4.35Å
195	S	89.6	Confident	93.1	Very high	53 Å²	53	68.8 Å²	68.8	37%	0.371	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-67.4	159	169.9	73.9	0	0	0	0	110.8	D197 H198	S195-D197 PolarHBondContact O-N 2.8Å; S195-H198 CarbonylContact O-C 3.54Å; S195-H198 VanDerWaalsContact O-C 3.26Å; S195-H198 PolarHBondContact O-N 3.36Å; S195-H198 VanDerWaalsContact O-N 3.16Å; S195-H198 PolarHBondContact OG-N 2.97Å
196	R	85.1	Confident	93.2	Very high	245 Å²	245	66.9 Å²	66.9	93%	0.925	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-28.3	176.1	-67.4	-177.3	179.5	-176.3	0	113.1	H198	R196-H198 VanDerWaalsContact C-N 3.33Å
197	D	88.4	Confident	93.2	Very high	136 Å²	136	67.2 Å²	67.2	73%	0.727	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-20.8	179.9	-54.4	-46.8	0	0	0	112.4	S195	S195-D197 PolarHBondContact O-N 2.8Å
198	H	90.5	Very high	93.2	Very high	85 Å²	85	66 Å²	66	39%	0.394	32%	0.318	S	S	.	.			trans	-132.7	63.8	-178.2	-62.8	-70.8	0	0	0	111.9	P194 S195 R196 E200 H201	P194-H198 WeakPolarHBondContact CB-O 3.36Å; S195-H198 CarbonylContact O-C 3.54Å; S195-H198 VanDerWaalsContact O-C 3.26Å; S195-H198 PolarHBondContact O-N 3.36Å; S195-H198 VanDerWaalsContact O-N 3.16Å; S195-H198 PolarHBondContact OG-N 2.97Å; R196-H198 VanDerWaalsContact C-N 3.33Å; H198-E200 VanDerWaalsContact CA-OE2 3.23Å; H198-E200 WeakPolarHBondContact CA-OE2 3.34Å; H198-E200 WeakPolarHBondContact CB-OE1 3.5Å; H198-E200 IonicContact CG-OE1 3.59Å; H198-E200 IonicContact ND1-OE1 3.75Å; H198-E200 PolarHBondContact ND1-OE1 2.9Å; H198-E200 PolarHBondContact O-N 3.48Å; H198-H201 VanDerWaalsContact CB-CE1 3.42Å; H198-H201 WeakPolarHBondContact CB-CE1 3.47Å; H198-H201 VanDerWaalsContact CB-ND1 3.34Å; H198-H201 WeakPolarHBondContact CB-ND1 3.48Å; H198-H201 AromaticContact CG-CE1 3.59Å; H198-H201 WeakPolarHBondContact O-CB 3.27Å; H198-H201 PolarHBondContact O-N 3.16Å; H198-H201 VanDerWaalsContact O-N 3.16Å
199	P	87.2	Confident	93	Very high	62 Å²	62	66.9 Å²	66.9	40%	0.403	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.2	178.9	28.8	-36.2	0	0	0	113	H201 T390 R391	P199-H201 VanDerWaalsContact C-N 3.27Å; P199-H201 PolarHBondContact O-N 3.36Å; P199-T390 HydrophobicContact CB-CG2 3.95Å; P199-R391 PolarHBondContact O-NE 3.44Å
200	E	88.4	Confident	92.8	Very high	105 Å²	105	72 Å²	72	49%	0.491	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-24.8	175.6	70.8	-77.2	-178.7	0	0	113.1	H198 R391	H198-E200 VanDerWaalsContact CA-OE2 3.23Å; H198-E200 WeakPolarHBondContact CA-OE2 3.34Å; H198-E200 WeakPolarHBondContact CB-OE1 3.5Å; H198-E200 IonicContact CG-OE1 3.59Å; H198-E200 IonicContact ND1-OE1 3.75Å; H198-E200 PolarHBondContact ND1-OE1 2.9Å; H198-E200 PolarHBondContact O-N 3.48Å; E200-R391 PolarHBondContact O-NH2 3.2Å
201	H	93.1	Very high	92.3	Very high	99 Å²	99	71.3 Å²	71.3	46%	0.458	34%	0.337	S	S	.	.	S	Bend	trans	-62.2	140.3	179.4	-71	168.7	0	0	0	111.7	P194 H198 P199 R391	P194-H201 HydrophobicContact CB-CB 4.14Å; P194-H201 WeakPolarHBondContact CB-O 3.27Å; H198-H201 VanDerWaalsContact CB-CE1 3.42Å; H198-H201 WeakPolarHBondContact CB-CE1 3.47Å; H198-H201 VanDerWaalsContact CB-ND1 3.34Å; H198-H201 WeakPolarHBondContact CB-ND1 3.48Å; H198-H201 AromaticContact CG-CE1 3.59Å; H198-H201 WeakPolarHBondContact O-CB 3.27Å; H198-H201 PolarHBondContact O-N 3.16Å; H198-H201 VanDerWaalsContact O-N 3.16Å; P199-H201 VanDerWaalsContact C-N 3.27Å; P199-H201 PolarHBondContact O-N 3.36Å; H201-R391 WeakPolarHBondContact O-CD 3.28Å; H201-R391 PolarHBondContact O-NE 2.86Å
202	L	94.6	Very high	91.6	Very high	34 Å²	34	76.5 Å²	76.5	18%	0.178	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-73	154.5	175.9	-60.3	179.2	0	0	0	110.7	E219 D221	L202-E219 HydrophobicContact CB-CB 4.26Å; L202-E219 HydrophobicContact CD1-CB 4.02Å; L202-D221 HydrophobicContact CD2-CB 4.45Å; L202-D221 WeakPolarHBondContact CD2-OD1 3.44Å
203	V	96.6	Very high	91.2	Very high	0 Å²	0	77.8 Å²	77.8	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	132.8	169.3	174.7	0	0	0	0	108.2	I191 Q192 L193 L205 E219 T220 L223 R391	I191-V203 HydrophobicContact CG2-CG1 4.06Å; Q192-V203 WeakPolarHBondContact O-CA 2.99Å; L193-V203 HydrophobicContact CD2-CB 4.49Å; L193-V203 HydrophobicContact CD2-CG1 3.86Å; L193-V203 HydrophobicContact CD2-CG2 3.85Å; V203-L205 HydrophobicContact CG1-CD2 4.44Å; V203-E219 CarbonylContact O-C 3.56Å; V203-E219 VanDerWaalsContact O-CA 3.29Å; V203-E219 WeakPolarHBondContact O-CA 3.3Å; V203-T220 HydrophobicContact CB-CG2 3.74Å; V203-T220 HydrophobicContact CG1-CG2 4.08Å; V203-T220 PolarHBondContact N-O 3.14Å; V203-T220 PolarHBondContact O-N 3.44Å; V203-L223 HydrophobicContact CG1-CB 4.18Å; V203-L223 HydrophobicContact CG1-CD2 4.07Å; V203-R391 HydrophobicContact CG2-CB 3.71Å
204	R	96.6	Very high	90.9	Very high	115 Å²	115	79.8 Å²	79.8	43%	0.434	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.7	171.5	-58.2	-170.2	163.6	143.2	3.2	109.7	I191 Q192 V218 E219	I191-R204 CarbonylContact C-O 3.26Å; I191-R204 WeakPolarHBondContact CA-O 3.17Å; Q192-R204 HydrophobicContact CB-CB 4.26Å; Q192-R204 PolarHBondContact N-O 3.46Å; Q192-R204 PolarHBondContact O-N 2.98Å; R204-V218 WeakPolarHBondContact CA-O 3.4Å; R204-E219 HydrophobicContact CG-CG 4.16Å; R204-E219 IonicContact CZ-OE1 2.71Å; R204-E219 IonicContact NE-OE1 2.94Å; R204-E219 PolarHBondContact NE-OE1 3.37Å; R204-E219 IonicContact NH2-OE1 3.19Å; R204-E219 PolarHBondContact NH2-OE1 2.93Å
205	L	96.7	Very high	90.9	Very high	0 Å²	0	84.8 Å²	84.8	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.9	173.6	65.1	154.7	0	0	0	110.7	V58 L87 A188 I191 V203 V207 T217 V218 T220 L223	V58-L205 HydrophobicContact CG1-CD1 4.03Å; V58-L205 HydrophobicContact CG2-CD2 4.44Å; L87-L205 HydrophobicContact CD1-CD1 4.25Å; A188-L205 HydrophobicContact CB-CD1 3.68Å; I191-L205 HydrophobicContact CB-CB 4.46Å; I191-L205 HydrophobicContact CG1-CB 3.88Å; V203-L205 HydrophobicContact CG1-CD2 4.44Å; L205-V207 HydrophobicContact CD1-CG2 4.47Å; L205-T217 CarbonylContact O-C 3.15Å; L205-T217 WeakPolarHBondContact O-CA 3.09Å; L205-V218 HydrophobicContact CD1-CG2 4.41Å; L205-V218 HydrophobicContact CD2-CG2 3.58Å; L205-V218 HydrophobicContact CG-CG2 3.68Å; L205-V218 PolarHBondContact N-O 3.48Å; L205-V218 PolarHBondContact O-N 3.14Å; L205-T220 HydrophobicContact CD2-CG2 4.09Å; L205-L223 HydrophobicContact CD1-CD1 4.25Å
206	D	96.2	Very high	91.1	Very high	18 Å²	18	84.6 Å²	84.6	10%	0.096	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.8	170.6	-67.9	-25.3	0	0	0	109.1	A188 E189 N190 R215 T217	A188-D206 CarbonylContact C-O 3.52Å; A188-D206 WeakPolarHBondContact CA-O 3.49Å; E189-D206 HydrophobicContact CB-CB 4.2Å; E189-D206 PolarHBondContact N-O 2.59Å; E189-D206 PolarHBondContact O-N 3.3Å; N190-D206 HydrophobicContact CB-CB 4.43Å; N190-D206 WeakPolarHBondContact CB-OD2 3.3Å; N190-D206 PolarHBondContact ND2-OD2 3.09Å; D206-R215 HydrophobicContact CB-CG 4.42Å; D206-R215 IonicContact OD2-CZ 2.88Å; D206-R215 VanDerWaalsContact OD2-CZ 3.32Å; D206-R215 IonicContact OD2-NE 3.57Å; D206-R215 PolarHBondContact OD2-NE 3.3Å; D206-R215 VanDerWaalsContact OD2-NE 3.1Å; D206-R215 IonicContact OD2-NH2 3.1Å; D206-R215 PolarHBondContact OD2-NH2 2.94Å; D206-T217 WeakPolarHBondContact OD1-CB 3.22Å; D206-T217 PolarHBondContact OD1-OG1 3.25Å
207	V	96.1	Very high	91.6	Very high	7 Å²	7	75.2 Å²	75.2	4%	0.042	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.2	170.1	-177.2	0	0	0	0	107.6	L85 L87 L183 A186 L205 R215 E216 V218	L85-V207 HydrophobicContact CD2-CG2 4.4Å; L87-V207 HydrophobicContact CD1-CG1 4.34Å; L87-V207 HydrophobicContact CD1-CG2 3.98Å; L87-V207 HydrophobicContact CD2-CG1 3.69Å; L87-V207 HydrophobicContact CD2-CG2 4.2Å; L183-V207 HydrophobicContact CD1-CG1 3.99Å; A186-V207 HydrophobicContact CB-CG1 4.14Å; L205-V207 HydrophobicContact CD1-CG2 4.47Å; V207-R215 WeakPolarHBondContact O-CA 3.22Å; V207-E216 PolarHBondContact N-O 3.2Å; V207-E216 PolarHBondContact O-N 2.83Å; V207-V218 HydrophobicContact CG2-CG1 4.09Å; V207-V218 HydrophobicContact CG2-CG2 3.73Å
208	Q	94.2	Very high	92	Very high	62 Å²	62	69 Å²	69	29%	0.29	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	115.2	173	-171.7	-175.6	39.8	0	0	109.3	A186 Q187 E189	A186-Q208 VanDerWaalsContact CA-O 3.29Å; A186-Q208 WeakPolarHBondContact CA-O 3.36Å; Q187-Q208 PolarHBondContact N-O 2.88Å; Q187-Q208 PolarHBondContact O-N 2.85Å; E189-Q208 PolarHBondContact OE1-OE1 3.1Å; E189-Q208 VanDerWaalsContact OE1-OE1 3.11Å
209	Q	92.5	Very high	92.3	Very high	25 Å²	25	66.6 Å²	66.6	12%	0.117	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.2	175	-169.2	175	30.3	0	0	110.5	Y184 E185 A186 T211 N213 K214	Y184-Q209 PolarHBondContact O-NE2 3.09Å; E185-Q209 WeakPolarHBondContact O-CA 3.48Å; A186-Q209 HydrophobicContact CB-CG 4.49Å; Q209-T211 WeakPolarHBondContact CG-OG1 3.48Å; Q209-N213 WeakPolarHBondContact O-CA 3.48Å; Q209-N213 PolarHBondContact O-N 3.04Å; Q209-N213 VanDerWaalsContact O-N 3.08Å; Q209-K214 PolarHBondContact N-O 3Å; Q209-K214 PolarHBondContact O-N 3.36Å
210	R	89.3	Confident	92.8	Very high	163 Å²	163	63.6 Å²	63.6	62%	0.615	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-40	-174.7	-67	176.6	57	-158.3	-6.5	113	E185 Q212 N213	E185-R210 HydrophobicContact CB-CB 4.19Å; E185-R210 PolarHBondContact O-N 2.83Å; R210-Q212 PolarHBondContact O-N 3.41Å; R210-N213 PolarHBondContact O-N 2.8Å
211	T	83.2	Confident	93.2	Very high	83 Å²	83	58.8 Å²	58.8	51%	0.509	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-45.6	-179.6	49.8	0	0	0	0	113.2	E185 Q209	E185-T211 HydrophobicContact CB-CG2 4.08Å; E185-T211 VanDerWaalsContact CD-CG2 3.41Å; E185-T211 HydrophobicContact CG-CG2 4.03Å; E185-T211 WeakPolarHBondContact OE2-CG2 3.39Å; Q209-T211 WeakPolarHBondContact CG-OG1 3.48Å
212	Q	83.6	Confident	93.4	Very high	126 Å²	126	54.1 Å²	54.1	59%	0.589	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-3.5	-177.3	-62.3	-173.3	4.2	0	0	112.8	R210 K214	R210-Q212 PolarHBondContact O-N 3.41Å; Q212-K214 HydrophobicContact CB-CB 3.86Å; Q212-K214 PolarHBondContact O-N 3.49Å; Q212-K214 VanDerWaalsContact O-N 3.08Å
213	N	86	Confident	93.6	Very high	144 Å²	144	52.5 Å²	52.5	77%	0.77	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.4	34.8	-169.3	-142.6	8.2	0	0	0	112.1	Q209 R210	Q209-N213 WeakPolarHBondContact O-CA 3.48Å; Q209-N213 PolarHBondContact O-N 3.04Å; Q209-N213 VanDerWaalsContact O-N 3.08Å; R210-N213 PolarHBondContact O-N 2.8Å
214	K	89.3	Confident	93.7	Very high	92 Å²	92	52.5 Å²	52.5	40%	0.4	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.5	-172.4	-175.7	-176	171.3	-159.7	0	108.6	Q209 Q212 E216	Q209-K214 PolarHBondContact N-O 3Å; Q209-K214 PolarHBondContact O-N 3.36Å; Q212-K214 HydrophobicContact CB-CB 3.86Å; Q212-K214 PolarHBondContact O-N 3.49Å; Q212-K214 VanDerWaalsContact O-N 3.08Å; K214-E216 VanDerWaalsContact CE-OE2 3.22Å; K214-E216 WeakPolarHBondContact CE-OE2 3.49Å; K214-E216 IonicContact NZ-OE2 3.56Å; K214-E216 PolarHBondContact NZ-OE2 3.01Å
215	R	91.9	Very high	93.7	Very high	127 Å²	127	47 Å²	47	48%	0.479	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.4	170.3	-171.1	-174.5	-172.4	128.2	23.7	108.8	E189 N190 D206 V207	E189-R215 IonicContact OE2-CZ 3.32Å; E189-R215 IonicContact OE2-NH1 3.38Å; E189-R215 IonicContact OE2-NH2 4Å; E189-R215 PolarHBondContact OE2-NH2 3.4Å; N190-R215 PolarHBondContact ND2-NH2 2.96Å; D206-R215 HydrophobicContact CB-CG 4.42Å; D206-R215 IonicContact OD2-CZ 2.88Å; D206-R215 VanDerWaalsContact OD2-CZ 3.32Å; D206-R215 IonicContact OD2-NE 3.57Å; D206-R215 PolarHBondContact OD2-NE 3.3Å; D206-R215 VanDerWaalsContact OD2-NE 3.1Å; D206-R215 IonicContact OD2-NH2 3.1Å; D206-R215 PolarHBondContact OD2-NH2 2.94Å; V207-R215 WeakPolarHBondContact O-CA 3.22Å
216	E	94.1	Very high	93.8	Very high	49 Å²	49	47.7 Å²	47.7	23%	0.229	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.6	179	-179.3	157.6	-141.7	0	0	110.2	P53 V207 K214 V218	P53-E216 HydrophobicContact CG-CG 3.97Å; P53-E216 WeakPolarHBondContact CG-OE1 3.28Å; V207-E216 PolarHBondContact N-O 3.2Å; V207-E216 PolarHBondContact O-N 2.83Å; K214-E216 VanDerWaalsContact CE-OE2 3.22Å; K214-E216 WeakPolarHBondContact CE-OE2 3.49Å; K214-E216 IonicContact NZ-OE2 3.56Å; K214-E216 PolarHBondContact NZ-OE2 3.01Å; E216-V218 HydrophobicContact CG-CG1 4.39Å
217	T	95.7	Very high	93.8	Very high	48 Å²	48	49 Å²	49	29%	0.294	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	128.8	174.3	-50	0	0	0	0	109	L52 P53 L205 D206	L52-T217 HydrophobicContact CD1-CG2 4.16Å; L52-T217 HydrophobicContact CD2-CG2 4.49Å; P53-T217 WeakPolarHBondContact CD-O 3.34Å; L205-T217 CarbonylContact O-C 3.15Å; L205-T217 WeakPolarHBondContact O-CA 3.09Å; D206-T217 WeakPolarHBondContact OD1-CB 3.22Å; D206-T217 PolarHBondContact OD1-OG1 3.25Å
218	V	96.5	Very high	93.6	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	151.2	178	-55.3	0	0	0	0	110.7	P53 Y55 L85 R204 L205 V207 E216	P53-V218 HydrophobicContact CB-CG1 4.17Å; P53-V218 HydrophobicContact CG-CG1 4.39Å; P53-V218 WeakPolarHBondContact O-CA 3.37Å; Y55-V218 HydrophobicContact CD2-CB 4.42Å; Y55-V218 HydrophobicContact CE2-CG1 4.33Å; L85-V218 HydrophobicContact CD2-CG2 4.44Å; R204-V218 WeakPolarHBondContact CA-O 3.4Å; L205-V218 HydrophobicContact CD1-CG2 4.41Å; L205-V218 HydrophobicContact CD2-CG2 3.58Å; L205-V218 HydrophobicContact CG-CG2 3.68Å; L205-V218 PolarHBondContact N-O 3.48Å; L205-V218 PolarHBondContact O-N 3.14Å; V207-V218 HydrophobicContact CG2-CG1 4.09Å; V207-V218 HydrophobicContact CG2-CG2 3.73Å; E216-V218 HydrophobicContact CG-CG1 4.39Å
219	E	97.1	Very high	93.4	Very high	34 Å²	34	51.6 Å²	51.6	16%	0.159	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	144.2	172.6	-56.4	-166.3	143	0	0	110.7	L52 P53 R54 Y55 L202 V203 R204	L52-E219 HydrophobicContact CB-CG 3.99Å; L52-E219 HydrophobicContact CD1-CG 3.81Å; P53-E219 PolarHBondContact O-N 3.43Å; R54-E219 WeakPolarHBondContact CA-O 3.28Å; Y55-E219 PolarHBondContact N-O 2.86Å; L202-E219 HydrophobicContact CB-CB 4.26Å; L202-E219 HydrophobicContact CD1-CB 4.02Å; V203-E219 CarbonylContact O-C 3.56Å; V203-E219 VanDerWaalsContact O-CA 3.29Å; V203-E219 WeakPolarHBondContact O-CA 3.3Å; R204-E219 HydrophobicContact CG-CG 4.16Å; R204-E219 IonicContact CZ-OE1 2.71Å; R204-E219 IonicContact NE-OE1 2.94Å; R204-E219 PolarHBondContact NE-OE1 3.37Å; R204-E219 IonicContact NH2-OE1 3.19Å; R204-E219 PolarHBondContact NH2-OE1 2.93Å
220	T	97.4	Very high	93.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.5	176.1	-169	0	0	0	0	114.2	Y55 D56 V58 V203 L205 L222 L223	Y55-T220 VanDerWaalsContact O-CA 3.27Å; Y55-T220 WeakPolarHBondContact O-CA 3.03Å; Y55-T220 PolarHBondContact O-OG1 3.21Å; D56-T220 PolarHBondContact O-OG1 3.02Å; V58-T220 HydrophobicContact CB-CG2 4.11Å; V58-T220 VanDerWaalsContact CG2-CB 3.48Å; V58-T220 HydrophobicContact CG2-CG2 3.89Å; V58-T220 PolarHBondContact N-OG1 2.78Å; V203-T220 HydrophobicContact CB-CG2 3.74Å; V203-T220 HydrophobicContact CG1-CG2 4.08Å; V203-T220 PolarHBondContact N-O 3.14Å; V203-T220 PolarHBondContact O-N 3.44Å; L205-T220 HydrophobicContact CD2-CG2 4.09Å; T220-L222 WeakPolarHBondContact CG2-O 3.03Å; T220-L222 PolarHBondContact OG1-N 2.73Å; T220-L222 PolarHBondContact OG1-O 3.37Å; T220-L223 HydrophobicContact CG2-CB 4.19Å
221	D	96.3	Very high	93.7	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-35.5	172.1	-85	-70.4	0	0	0	112	R54 D56 L202 R391 N433 I434	R54-D221 IonicContact CZ-OD2 2.79Å; R54-D221 IonicContact NE-OD2 2.82Å; R54-D221 IonicContact NH2-OD1 2.73Å; R54-D221 IonicContact NH2-OD2 3.57Å; R54-D221 PolarHBondContact NH2-OD2 2.85Å; D56-D221 WeakPolarHBondContact O-CB 3.43Å; D56-D221 PolarHBondContact O-N 2.71Å; L202-D221 HydrophobicContact CD2-CB 4.45Å; L202-D221 WeakPolarHBondContact CD2-OD1 3.44Å; D221-R391 VanDerWaalsContact O-CB 3.29Å; D221-R391 WeakPolarHBondContact O-CB 3.44Å; D221-R391 WeakPolarHBondContact O-CD 3.15Å; D221-R391 VanDerWaalsContact O-CG 3.26Å; D221-R391 WeakPolarHBondContact O-CG 3.5Å; D221-R391 PolarHBondContact O-NH1 3.36Å; D221-R391 IonicContact OD1-CZ 3.64Å; D221-R391 IonicContact OD1-NH1 3.83Å; D221-R391 PolarHBondContact OD1-NH1 2.83Å; D221-R391 IonicContact OD1-NH2 3.78Å; D221-N433 PolarHBondContact OD1-ND2 3.29Å; D221-I434 HydrophobicContact CB-CD1 4.06Å; D221-I434 HydrophobicContact CB-CG1 3.93Å
222	L	97.8	Very high	94.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	130.2	177.7	177.9	64.6	0	0	0	110.8	D56 I57 V58 T220 V224 A393 L424 I434 L440	D56-L222 PolarHBondContact O-N 3.08Å; I57-L222 WeakPolarHBondContact CA-O 3.33Å; I57-L222 HydrophobicContact CG1-CB 4.5Å; I57-L222 HydrophobicContact CG1-CD2 4.47Å; V58-L222 PolarHBondContact N-O 2.71Å; T220-L222 WeakPolarHBondContact CG2-O 3.03Å; T220-L222 PolarHBondContact OG1-N 2.73Å; T220-L222 PolarHBondContact OG1-O 3.37Å; L222-V224 HydrophobicContact CD2-CG2 4.11Å; L222-V224 HydrophobicContact CG-CG2 4.05Å; L222-A393 HydrophobicContact CD1-CB 4.32Å; L222-L424 HydrophobicContact CD2-CD1 3.74Å; L222-L424 HydrophobicContact CD2-CD2 3.65Å; L222-L424 HydrophobicContact CD2-CG 4.35Å; L222-I434 HydrophobicContact CB-CD1 4.35Å; L222-I434 HydrophobicContact CB-CG1 4.31Å; L222-L440 HydrophobicContact CD1-CD1 4.06Å; L222-L440 HydrophobicContact CD1-CD2 4.24Å
223	L	98.2	Very high	94.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.8	170.5	179.9	68.1	0	0	0	109.7	V58 V60 I191 L193 V203 L205 T220 V233 R391 V392 A393	V58-L223 HydrophobicContact CB-CD1 4.14Å; V58-L223 HydrophobicContact CG1-CD1 4.09Å; V58-L223 CarbonylContact O-C 3.53Å; V60-L223 HydrophobicContact CG2-CD1 3.65Å; I191-L223 HydrophobicContact CD1-CD2 4.16Å; I191-L223 HydrophobicContact CG1-CD2 4.49Å; I191-L223 HydrophobicContact CG2-CD2 3.52Å; L193-L223 HydrophobicContact CD2-CD2 4.34Å; V203-L223 HydrophobicContact CG1-CB 4.18Å; V203-L223 HydrophobicContact CG1-CD2 4.07Å; L205-L223 HydrophobicContact CD1-CD1 4.25Å; T220-L223 HydrophobicContact CG2-CB 4.19Å; L223-V233 HydrophobicContact CD2-CG1 3.8Å; L223-V233 HydrophobicContact CD2-CG2 4.17Å; L223-V233 HydrophobicContact CG-CG1 4.01Å; L223-V233 HydrophobicContact CG-CG2 4.33Å; L223-R391 PolarHBondContact N-O 2.71Å; L223-V392 HydrophobicContact CB-CG2 4.48Å; L223-V392 CarbonylContact O-C 3.54Å; L223-V392 VanDerWaalsContact O-CA 3.25Å; L223-V392 WeakPolarHBondContact O-CA 3.29Å; L223-A393 PolarHBondContact O-N 3.08Å
224	V	98.4	Very high	95.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.7	177.8	-172.1	0	0	0	0	109.8	I57 V58 I59 V60 L69 L222 A393 V395 L420	I57-V224 HydrophobicContact CG2-CG2 3.95Å; V58-V224 PolarHBondContact O-N 2.79Å; I59-V224 HydrophobicContact CG1-CB 4.28Å; I59-V224 HydrophobicContact CG1-CG2 4.48Å; V60-V224 PolarHBondContact N-O 3.07Å; L69-V224 HydrophobicContact CD2-CB 4.02Å; L69-V224 HydrophobicContact CD2-CG1 3.39Å; L69-V224 HydrophobicContact CD2-CG2 4.13Å; L222-V224 HydrophobicContact CD2-CG2 4.11Å; L222-V224 HydrophobicContact CG-CG2 4.05Å; V224-A393 CarbonylContact C-O 3.53Å; V224-A393 VanDerWaalsContact CA-O 3.29Å; V224-A393 WeakPolarHBondContact CA-O 3.17Å; V224-A393 HydrophobicContact CG2-CB 4.47Å; V224-V395 HydrophobicContact CG1-CG1 4.24Å; V224-V395 HydrophobicContact CG1-CG2 3.91Å; V224-L420 HydrophobicContact CG1-CD2 4.23Å; V224-L420 HydrophobicContact CG2-CD2 4.48Å
225	G	98	Very high	95.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	112.4	168.2	0	0	0	0	0	110.5	A393 V395 S398	G225-A393 PolarHBondContact N-O 3.47Å; G225-V395 WeakPolarHBondContact O-CG2 3.4Å; G225-V395 PolarHBondContact O-N 3.43Å; G225-S398 PolarHBondContact O-OG 3.25Å
226	A	97.6	Very high	96	Very high	14 Å²	14	31.8 Å²	31.8	12%	0.116	17%	0.167	C	C	.	.			trans	-124.7	26.8	168.6	0	0	0	0	0	110.3	I59 V60 G228 V395	I59-A226 HydrophobicContact CG2-CB 4.02Å; V60-A226 CarbonylContact O-C 3.48Å; V60-A226 VanDerWaalsContact O-CA 3.25Å; V60-A226 WeakPolarHBondContact O-CA 3.48Å; V60-A226 PolarHBondContact O-N 3.44Å; A226-G228 VanDerWaalsContact C-N 3.34Å; A226-G228 PolarHBondContact O-N 3.2Å; A226-V395 HydrophobicContact CB-CG2 3.81Å
227	D	95.6	Very high	96	Very high	45 Å²	45	30.3 Å²	30.3	24%	0.241	16%	0.163	C	C	.	.	S	Bend	trans	-94.4	19.5	-169.8	57	-21.5	0	0	0	113.5	V60 S231 L232 V233	V60-D227 HydrophobicContact CG1-CB 4.14Å; V60-D227 PolarHBondContact O-N 3.16Å; D227-S231 VanDerWaalsContact CG-CA 3.48Å; D227-S231 VanDerWaalsContact CG-OG 3.26Å; D227-S231 WeakPolarHBondContact OD1-CA 3.41Å; D227-S231 WeakPolarHBondContact OD1-CB 3.49Å; D227-S231 PolarHBondContact OD1-OG 2.89Å; D227-S231 VanDerWaalsContact OD2-CA 3.23Å; D227-S231 WeakPolarHBondContact OD2-CA 3.29Å; D227-S231 PolarHBondContact OD2-OG 2.99Å; D227-L232 PolarHBondContact OD2-N 2.86Å; D227-V233 PolarHBondContact OD2-N 2.84Å
228	G	93.3	Very high	95.8	Very high	22 Å²	22	33.7 Å²	33.7	23%	0.227	18%	0.179	C	C	.	.			trans	75.7	-168.3	170.5	0	0	0	0	0	115.6	A226 N230 S231 D397 S398	A226-G228 VanDerWaalsContact C-N 3.34Å; A226-G228 PolarHBondContact O-N 3.2Å; G228-N230 PolarHBondContact O-N 2.89Å; G228-N230 VanDerWaalsContact O-N 3.11Å; G228-S231 WeakPolarHBondContact O-CB 3.49Å; G228-S231 PolarHBondContact O-N 3.47Å; G228-S231 VanDerWaalsContact O-N 3.07Å; G228-D397 CarbonylContact C-O 3.6Å; G228-S398 VanDerWaalsContact O-CA 3.3Å; G228-S398 WeakPolarHBondContact O-CA 3.3Å
229	F	90.2	Very high	95.7	Very high	101 Å²	101	34.2 Å²	34.2	44%	0.443	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.5	-170.6	78.2	-87.5	0	0	0	113.9	S231 R234 Q382 D397	F229-S231 VanDerWaalsContact C-N 3.33Å; F229-S231 PolarHBondContact O-N 2.86Å; F229-R234 PolarHBondContact O-NH1 2.79Å; F229-R234 PolarHBondContact O-NH2 2.85Å; F229-Q382 PolarHBondContact O-OE1 3.44Å; F229-D397 WeakPolarHBondContact CA-O 3.48Å
230	N	91.9	Very high	95.3	Very high	99 Å²	99	38.4 Å²	38.4	53%	0.529	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	33.6	178	-163.4	31	0	0	0	113	G228 L232 K235	G228-N230 PolarHBondContact O-N 2.89Å; G228-N230 VanDerWaalsContact O-N 3.11Å; N230-L232 PolarHBondContact O-N 3.21Å; N230-K235 WeakPolarHBondContact OD1-CE 3.41Å; N230-K235 PolarHBondContact OD1-NZ 3.03Å
231	S	95.6	Very high	94.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.			trans	-46.5	123.1	-174	178.3	0	0	0	0	114.8	D227 G228 F229 V233 R234 K235	D227-S231 VanDerWaalsContact CG-CA 3.48Å; D227-S231 VanDerWaalsContact CG-OG 3.26Å; D227-S231 WeakPolarHBondContact OD1-CA 3.41Å; D227-S231 WeakPolarHBondContact OD1-CB 3.49Å; D227-S231 PolarHBondContact OD1-OG 2.89Å; D227-S231 VanDerWaalsContact OD2-CA 3.23Å; D227-S231 WeakPolarHBondContact OD2-CA 3.29Å; D227-S231 PolarHBondContact OD2-OG 2.99Å; G228-S231 WeakPolarHBondContact O-CB 3.49Å; G228-S231 PolarHBondContact O-N 3.47Å; G228-S231 VanDerWaalsContact O-N 3.07Å; F229-S231 VanDerWaalsContact C-N 3.33Å; F229-S231 PolarHBondContact O-N 2.86Å; S231-V233 PolarHBondContact OG-N 2.83Å; S231-R234 WeakPolarHBondContact OG-CB 3.42Å; S231-R234 PolarHBondContact OG-N 3.06Å; S231-K235 VanDerWaalsContact O-CG 3.31Å; S231-K235 WeakPolarHBondContact O-CG 3.25Å; S231-K235 PolarHBondContact O-N 3.45Å
232	L	95.9	Very high	94.5	Very high	74 Å²	74	45 Å²	45	39%	0.387	24%	0.238	S	C	.	.	H	α-helix	trans	-71.1	-40.5	169.3	176.8	65.5	0	0	0	110.5	A188 I191 D227 N230 R234 K235 T236	A188-L232 WeakPolarHBondContact O-CD2 3.34Å; I191-L232 HydrophobicContact CD1-CD2 4.06Å; I191-L232 HydrophobicContact CD1-CG 4.1Å; D227-L232 PolarHBondContact OD2-N 2.86Å; N230-L232 PolarHBondContact O-N 3.21Å; L232-R234 PolarHBondContact O-N 2.88Å; L232-K235 PolarHBondContact O-N 2.87Å; L232-T236 WeakPolarHBondContact O-CB 3.25Å; L232-T236 PolarHBondContact O-N 3.11Å; L232-T236 PolarHBondContact O-OG1 3.44Å
233	V	97.2	Very high	93.8	Very high	1 Å²	1	47 Å²	47	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-60.1	-46.9	179.7	178	0	0	0	0	110.4	V60 I191 L223 D227 S231 K235 T236 A237 V392 L394	V60-V233 HydrophobicContact CB-CG2 3.89Å; V60-V233 HydrophobicContact CG1-CG2 4.31Å; V60-V233 HydrophobicContact CG2-CG2 3.85Å; I191-V233 HydrophobicContact CD1-CG2 4.17Å; L223-V233 HydrophobicContact CD2-CG1 3.8Å; L223-V233 HydrophobicContact CD2-CG2 4.17Å; L223-V233 HydrophobicContact CG-CG1 4.01Å; L223-V233 HydrophobicContact CG-CG2 4.33Å; D227-V233 PolarHBondContact OD2-N 2.84Å; S231-V233 PolarHBondContact OG-N 2.83Å; V233-K235 PolarHBondContact O-N 3.47Å; V233-T236 PolarHBondContact O-N 2.97Å; V233-A237 WeakPolarHBondContact O-CB 3.49Å; V233-A237 PolarHBondContact O-N 3.36Å; V233-V392 HydrophobicContact CG1-CG1 3.57Å; V233-L394 HydrophobicContact CB-CD2 4.35Å; V233-L394 HydrophobicContact CG1-CD2 4.03Å
234	R	96.7	Very high	93.2	Very high	8 Å²	8	51.9 Å²	51.9	3%	0.03	28%	0.277	C	S	.	.	H	α-helix	trans	-60.5	-44.3	177.2	-176.8	179.6	66.1	-127.7	-4.5	112.8	F229 S231 L232 A237 N238 I239 T241 Q382 L394 S398	F229-R234 PolarHBondContact O-NH1 2.79Å; F229-R234 PolarHBondContact O-NH2 2.85Å; S231-R234 WeakPolarHBondContact OG-CB 3.42Å; S231-R234 PolarHBondContact OG-N 3.06Å; L232-R234 PolarHBondContact O-N 2.88Å; R234-A237 PolarHBondContact O-N 2.65Å; R234-N238 PolarHBondContact O-N 2.85Å; R234-I239 HydrophobicContact CG-CB 3.83Å; R234-I239 HydrophobicContact CG-CG2 4.03Å; R234-I239 PolarHBondContact O-N 3.43Å; R234-I239 VanDerWaalsContact O-N 3.13Å; R234-T241 VanDerWaalsContact CD-CG2 3.42Å; R234-T241 VanDerWaalsContact NE-CG2 3.29Å; R234-Q382 VanDerWaalsContact NH2-NE2 3.17Å; R234-L394 HydrophobicContact CB-CD1 3.79Å; R234-L394 HydrophobicContact CB-CD2 3.88Å; R234-L394 HydrophobicContact CG-CD1 3.61Å; R234-S398 VanDerWaalsContact CD-O 3.3Å; R234-S398 WeakPolarHBondContact CD-O 3.33Å; R234-S398 PolarHBondContact NH1-O 3.22Å
235	K	96.2	Very high	92.4	Very high	115 Å²	115	56.5 Å²	56.5	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-43.7	178.4	-72.4	172.3	-173.2	174.4	0	111.3	N230 S231 L232 V233 A237 N238	N230-K235 WeakPolarHBondContact OD1-CE 3.41Å; N230-K235 PolarHBondContact OD1-NZ 3.03Å; S231-K235 VanDerWaalsContact O-CG 3.31Å; S231-K235 WeakPolarHBondContact O-CG 3.25Å; S231-K235 PolarHBondContact O-N 3.45Å; L232-K235 PolarHBondContact O-N 2.87Å; V233-K235 PolarHBondContact O-N 3.47Å; K235-A237 VanDerWaalsContact C-N 3.32Å; K235-A237 PolarHBondContact O-N 2.83Å; K235-N238 PolarHBondContact O-N 2.94Å
236	T	95.4	Very high	91.5	Very high	48 Å²	48	57.7 Å²	57.7	29%	0.294	31%	0.307	S	S	.	.	H	α-helix	trans	-64.1	-39.5	177.9	-50	0	0	0	0	111.2	I191 L193 L232 V233 N238	I191-T236 HydrophobicContact CB-CG2 3.72Å; I191-T236 HydrophobicContact CG2-CG2 3.83Å; I191-T236 WeakPolarHBondContact O-CG2 3.3Å; L193-T236 HydrophobicContact CD1-CG2 4.15Å; L193-T236 HydrophobicContact CG-CG2 4.15Å; L232-T236 WeakPolarHBondContact O-CB 3.25Å; L232-T236 PolarHBondContact O-N 3.11Å; L232-T236 PolarHBondContact O-OG1 3.44Å; V233-T236 PolarHBondContact O-N 2.97Å; T236-N238 PolarHBondContact O-N 3.42Å; T236-N238 VanDerWaalsContact O-N 3.11Å
237	A	94.2	Very high	90.9	Very high	17 Å²	17	59.7 Å²	59.7	14%	0.14	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-0.6	174.2	0	0	0	0	0	114.3	L193 V233 R234 K235 I239 A389 V392	L193-A237 HydrophobicContact CD1-CB 3.88Å; V233-A237 WeakPolarHBondContact O-CB 3.49Å; V233-A237 PolarHBondContact O-N 3.36Å; R234-A237 PolarHBondContact O-N 2.65Å; K235-A237 VanDerWaalsContact C-N 3.32Å; K235-A237 PolarHBondContact O-N 2.83Å; A237-I239 HydrophobicContact CB-CD1 3.75Å; A237-I239 HydrophobicContact CB-CG1 3.87Å; A237-I239 PolarHBondContact O-N 2.97Å; A237-A389 HydrophobicContact CB-CB 4.42Å; A237-V392 HydrophobicContact CB-CG1 4.12Å
238	N	93.4	Very high	90.4	Very high	119 Å²	119	57.7 Å²	57.7	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	36.5	-175.6	-165.3	31.1	0	0	0	112.4	R234 K235 T236	R234-N238 PolarHBondContact O-N 2.85Å; K235-N238 PolarHBondContact O-N 2.94Å; T236-N238 PolarHBondContact O-N 3.42Å; T236-N238 VanDerWaalsContact O-N 3.11Å
239	I	92.4	Very high	90.4	Very high	16 Å²	16	58.9 Å²	58.9	8%	0.082	30%	0.304	C	S	.	.			trans	-86	115.6	176.9	-67.6	170.4	0	0	0	107.8	R234 A237 A384 F386 A389 L394	R234-I239 HydrophobicContact CG-CB 3.83Å; R234-I239 HydrophobicContact CG-CG2 4.03Å; R234-I239 PolarHBondContact O-N 3.43Å; R234-I239 VanDerWaalsContact O-N 3.13Å; A237-I239 HydrophobicContact CB-CD1 3.75Å; A237-I239 HydrophobicContact CB-CG1 3.87Å; A237-I239 PolarHBondContact O-N 2.97Å; I239-A384 HydrophobicContact CG2-CB 3.86Å; I239-F386 VanDerWaalsContact CG2-O 3.22Å; I239-F386 WeakPolarHBondContact CG2-O 3.32Å; I239-A389 HydrophobicContact CD1-CB 4.34Å; I239-L394 HydrophobicContact CD1-CD1 3.7Å; I239-L394 HydrophobicContact CD1-CG 4.3Å; I239-L394 HydrophobicContact CG2-CD1 4.23Å
240	H	90.1	Very high	90.5	Very high	123 Å²	123	54.1 Å²	54.1	57%	0.569	28%	0.283	S	S	*	.			trans	-70.4	150.7	178.3	-60.5	-55.5	0	0	0	111.3	A384 T385	H240-A384 WeakPolarHBondContact O-CA 3.5Å; H240-T385 HydrophobicContact CB-CG2 4.15Å; H240-T385 PolarHBondContact O-N 3.46Å; H240-T385 PolarHBondContact O-OG1 3.45Å
241	T	89.1	Confident	90.6	Very high	55 Å²	55	49.4 Å²	49.4	34%	0.337	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139.8	174.5	60.7	0	0	0	0	110.8	R234 Q382 H383 A384	R234-T241 VanDerWaalsContact CD-CG2 3.42Å; R234-T241 VanDerWaalsContact NE-CG2 3.29Å; T241-Q382 HydrophobicContact CG2-CG 4.11Å; T241-Q382 PolarHBondContact OG1-NE2 2.91Å; T241-Q382 VanDerWaalsContact OG1-NE2 3.1Å; T241-H383 CarbonylContact C-O 3.59Å; T241-H383 VanDerWaalsContact CA-O 3.27Å; T241-H383 WeakPolarHBondContact CA-O 3.39Å; T241-A384 HydrophobicContact CG2-CB 4.3Å
242	I	86.8	Confident	90.6	Very high	88 Å²	88	49.7 Å²	49.7	45%	0.451	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129	167.8	-59.9	168.7	0	0	0	106.4	W244 Q382 H383 T385	I242-W244 HydrophobicContact CG2-CZ3 4.08Å; I242-Q382 CarbonylContact O-C 3.51Å; I242-Q382 WeakPolarHBondContact O-CA 3.43Å; I242-H383 PolarHBondContact N-O 2.97Å; I242-H383 PolarHBondContact O-N 3.43Å; I242-T385 HydrophobicContact CD1-CG2 4.45Å; I242-T385 HydrophobicContact CG1-CG2 4.47Å
243	G	84.5	Confident	90.5	Very high	42 Å²	42	46.1 Å²	46.1	43%	0.433	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.6	162.4	-178.8	0	0	0	0	0	112.8	F381	G243-F381 CarbonylContact C-O 3.6Å; G243-F381 WeakPolarHBondContact CA-O 3.22Å
244	W	84	Confident	90.5	Very high	101 Å²	101	46.1 Å²	46.1	38%	0.383	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	150.6	175.1	47.9	91.4	0	0	0	109.7	I242 H246 F381 E459	I242-W244 HydrophobicContact CG2-CZ3 4.08Å; W244-H246 AromaticContact CD1-CE1 3.5Å; W244-H246 AromaticContact CD1-ND1 3.89Å; W244-H246 AromaticContact CD1-NE2 3.71Å; W244-H246 AromaticContact NE1-CE1 3.18Å; W244-H246 PolarHBondContact NE1-CE1 2.88Å; W244-H246 AromaticContact NE1-ND1 3.99Å; W244-H246 AromaticContact NE1-NE2 3.4Å; W244-H246 PolarHBondContact NE1-NE2 2.85Å; W244-F381 HydrophobicContact CD2-CB 4.36Å; W244-F381 AromaticContact CD2-CD1 3.89Å; W244-F381 HydrophobicContact CD2-CD1 3.89Å; W244-F381 AromaticContact CE2-CD1 3.68Å; W244-F381 AromaticContact CE3-CD1 3.81Å; W244-F381 HydrophobicContact CE3-CD1 3.81Å; W244-F381 HydrophobicContact CE3-CE1 4.38Å; W244-F381 AromaticContact CH2-CD1 3.35Å; W244-F381 HydrophobicContact CH2-CD1 3.35Å; W244-F381 AromaticContact CH2-CE1 3.44Å; W244-F381 HydrophobicContact CH2-CE1 3.44Å; W244-F381 VanDerWaalsContact CH2-CE1 3.44Å; W244-F381 HydrophobicContact CH2-CG 4.31Å; W244-F381 HydrophobicContact CH2-CZ 4.47Å; W244-F381 HydrophobicContact CZ2-CB 4.35Å; W244-F381 AromaticContact CZ2-CD1 3.44Å; W244-F381 HydrophobicContact CZ2-CD1 3.44Å; W244-F381 VanDerWaalsContact CZ2-CD1 3.44Å; W244-F381 AromaticContact CZ2-CE1 3.95Å; W244-F381 HydrophobicContact CZ2-CE1 3.95Å; W244-F381 AromaticContact CZ2-CG 3.99Å; W244-F381 HydrophobicContact CZ2-CG 3.99Å; W244-F381 AromaticContact CZ3-CD1 3.54Å; W244-F381 HydrophobicContact CZ3-CD1 3.54Å; W244-F381 AromaticContact CZ3-CE1 3.69Å; W244-F381 HydrophobicContact CZ3-CE1 3.69Å; W244-F381 PolarHBondContact N-O 3Å; W244-F381 PolarHBondContact O-N 3.31Å; W244-E459 HydrophobicContact CZ2-CB 4.5Å; W244-E459 HydrophobicContact CZ2-CG 3.85Å; W244-E459 VanDerWaalsContact CZ2-OE2 3.24Å; W244-E459 WeakPolarHBondContact CZ2-OE2 3.46Å; W244-E459 PolarHBondContact NE1-OE2 2.75Å
245	N	82.8	Confident	90.4	Very high	98 Å²	98	45.7 Å²	45.7	52%	0.524	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	134.3	168.8	-169.2	-13.5	0	0	0	108.2	N247 L379	N245-N247 PolarHBondContact O-N 3.11Å; N245-N247 PolarHBondContact OD1-N 2.98Å; N245-L379 PolarHBondContact OD1-O 2.91Å
246	H	78.9	Confident	90.4	Very high	25 Å²	25	43.8 Å²	43.8	12%	0.116	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-3.5	176.7	-75.5	-69.7	0	0	0	112.6	W244 Q248 L403 E459	W244-H246 AromaticContact CD1-CE1 3.5Å; W244-H246 AromaticContact CD1-ND1 3.89Å; W244-H246 AromaticContact CD1-NE2 3.71Å; W244-H246 AromaticContact NE1-CE1 3.18Å; W244-H246 PolarHBondContact NE1-CE1 2.88Å; W244-H246 AromaticContact NE1-ND1 3.99Å; W244-H246 AromaticContact NE1-NE2 3.4Å; W244-H246 PolarHBondContact NE1-NE2 2.85Å; H246-Q248 HydrophobicContact CB-CB 4.04Å; H246-Q248 HydrophobicContact CB-CG 4.17Å; H246-Q248 PolarHBondContact O-N 3.4Å; H246-Q248 VanDerWaalsContact O-N 3.12Å; H246-L403 VanDerWaalsContact CD2-CD2 3.47Å; H246-L403 WeakPolarHBondContact CD2-CD2 3.19Å; H246-E459 IonicContact CE1-OE1 2.95Å; H246-E459 IonicContact CE1-OE2 3.36Å; H246-E459 PolarHBondContact CE1-OE2 3.23Å; H246-E459 IonicContact NE2-OE1 2.62Å; H246-E459 PolarHBondContact NE2-OE1 3.37Å; H246-E459 IonicContact NE2-OE2 3.61Å; H246-E459 PolarHBondContact NE2-OE2 2.8Å
247	N	84.2	Confident	90.3	Very high	57 Å²	57	42 Å²	42	31%	0.305	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51	30.4	-168.2	-73.7	-12.1	0	0	0	111.9	N245 S294 N474	N245-N247 PolarHBondContact O-N 3.11Å; N245-N247 PolarHBondContact OD1-N 2.98Å; N247-S294 WeakPolarHBondContact O-CB 3.5Å; N247-S294 PolarHBondContact O-N 3.18Å; N247-S294 PolarHBondContact O-OG 2.78Å; N247-N474 PolarHBondContact ND2-OD1 3.24Å
248	Q	86.6	Confident	90.2	Very high	3 Å²	3	47 Å²	47	1%	0.014	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	151.3	179.9	-78.1	176.5	-24.2	0	0	110.2	H246 T292 L379 Y470	H246-Q248 HydrophobicContact CB-CB 4.04Å; H246-Q248 HydrophobicContact CB-CG 4.17Å; H246-Q248 PolarHBondContact O-N 3.4Å; H246-Q248 VanDerWaalsContact O-N 3.12Å; Q248-T292 CarbonylContact C-O 3.59Å; Q248-T292 WeakPolarHBondContact CA-O 3.43Å; Q248-T292 WeakPolarHBondContact CB-O 3.43Å; Q248-T292 WeakPolarHBondContact CG-O 3.5Å; Q248-L379 HydrophobicContact CB-CB 4.1Å; Q248-L379 HydrophobicContact CB-CD1 4.06Å; Q248-L379 HydrophobicContact CB-CG 4.4Å; Q248-L379 PolarHBondContact O-N 2.51Å; Q248-Y470 HydrophobicContact CG-CE1 3.98Å; Q248-Y470 WeakPolarHBondContact CG-OH 3.4Å; Q248-Y470 PolarHBondContact NE2-OH 3.18Å
249	K	91.8	Very high	90	Very high	47 Å²	47	47.7 Å²	47.7	20%	0.204	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.9	167.7	-63.8	171.2	175.2	169.5	0	109.1	S291 T292 A297 D298 C376 F377	K249-S291 WeakPolarHBondContact O-CA 3.05Å; K249-T292 PolarHBondContact N-O 3.47Å; K249-T292 PolarHBondContact O-N 3.36Å; K249-A297 HydrophobicContact CB-CB 3.66Å; K249-A297 HydrophobicContact CD-CB 4.06Å; K249-A297 HydrophobicContact CG-CB 4.39Å; K249-D298 IonicContact NZ-OD1 2.7Å; K249-D298 PolarHBondContact NZ-OD1 2.89Å; K249-D298 IonicContact NZ-OD2 3.83Å; K249-D298 PolarHBondContact NZ-OD2 3.18Å; K249-C376 WeakPolarHBondContact CB-SG 3.38Å; K249-F377 CarbonylContact C-O 3.57Å; K249-F377 VanDerWaalsContact CA-O 3.25Å; K249-F377 WeakPolarHBondContact CA-O 3.25Å
250	A	92.1	Very high	89.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.8	169.9	0	0	0	0	0	109.6	V289 W290 C376 F377 L379	A250-V289 HydrophobicContact CB-CG1 4.17Å; A250-W290 CarbonylContact C-O 3.55Å; A250-W290 VanDerWaalsContact CA-O 3.31Å; A250-W290 WeakPolarHBondContact CA-O 3.38Å; A250-C376 CarbonylContact O-C 3.59Å; A250-C376 VanDerWaalsContact O-CA 3.3Å; A250-C376 WeakPolarHBondContact O-CA 3.45Å; A250-F377 HydrophobicContact CB-CD2 4.14Å; A250-F377 HydrophobicContact CB-CE1 4.11Å; A250-F377 HydrophobicContact CB-CE2 3.61Å; A250-F377 HydrophobicContact CB-CZ 3.59Å; A250-F377 PolarHBondContact N-O 3.42Å; A250-F377 PolarHBondContact O-N 3.21Å; A250-L379 HydrophobicContact CB-CD1 4.19Å; A250-L379 HydrophobicContact CB-CD2 3.83Å; A250-L379 HydrophobicContact CB-CG 4.16Å
251	I	95.2	Very high	89.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.7	168.5	-57.5	173.4	0	0	0	107.9	V289 W290 A297 L300 M301 F308 R374 A375	I251-V289 WeakPolarHBondContact O-CA 3.4Å; I251-W290 HydrophobicContact CB-CB 4.33Å; I251-W290 PolarHBondContact N-O 2.97Å; I251-W290 PolarHBondContact O-N 2.86Å; I251-A297 HydrophobicContact CD1-CB 4.31Å; I251-A297 HydrophobicContact CG1-CB 4.27Å; I251-L300 HydrophobicContact CD1-CB 3.54Å; I251-L300 HydrophobicContact CD1-CD1 3.82Å; I251-L300 HydrophobicContact CD1-CG 4.36Å; I251-M301 HydrophobicContact CD1-CG 4.31Å; I251-M301 HydrophobicContact CG1-CG 4.32Å; I251-M301 HydrophobicContact CG1-SD 4.33Å; I251-M301 HydrophobicContact CG2-SD 4Å; I251-F308 HydrophobicContact CD1-CE2 4.29Å; I251-F308 HydrophobicContact CG2-CE2 4.35Å; I251-F308 HydrophobicContact CG2-CZ 4.2Å; I251-R374 HydrophobicContact CG2-CB 4.44Å; I251-A375 CarbonylContact C-O 3.55Å; I251-A375 WeakPolarHBondContact CA-O 3.22Å
252	V	94.8	Very high	89.6	Confident	6 Å²	6	46.6 Å²	46.6	4%	0.036	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.3	173.3	-65.9	0	0	0	0	111.5	N103 L288 V289 A375 F377	N103-V252 HydrophobicContact CB-CG2 4.29Å; V252-L288 VanDerWaalsContact CA-O 3.25Å; V252-L288 WeakPolarHBondContact CA-O 3.37Å; V252-V289 HydrophobicContact CG1-CG1 4.48Å; V252-V289 HydrophobicContact CG1-CG2 4.16Å; V252-A375 HydrophobicContact CG2-CB 3.89Å; V252-A375 PolarHBondContact N-O 2.96Å; V252-A375 PolarHBondContact O-N 2.97Å; V252-F377 HydrophobicContact CB-CE1 4.42Å; V252-F377 HydrophobicContact CG1-CD1 4.49Å; V252-F377 HydrophobicContact CG1-CE1 3.49Å; V252-F377 VanDerWaalsContact CG1-CE1 3.49Å; V252-F377 HydrophobicContact CG1-CZ 4.1Å; V252-F377 HydrophobicContact CG2-CD1 4.4Å; V252-F377 HydrophobicContact CG2-CE1 4.06Å
253	A	95	Very high	89.5	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	150.1	179.9	0	0	0	0	0	109.9	L255 L288 R374	A253-L255 HydrophobicContact CB-CD2 4.13Å; A253-L288 HydrophobicContact CB-CB 4.39Å; A253-L288 HydrophobicContact CB-CD2 4.35Å; A253-L288 PolarHBondContact N-O 2.9Å; A253-L288 WeakPolarHBondContact O-CB 3.47Å; A253-L288 PolarHBondContact O-N 3.4Å; A253-R374 HydrophobicContact CB-CG 4.04Å
254	T	95.9	Very high	89.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.3	165.8	-57.8	0	0	0	0	109.5	N103 L281 Y285 I368 Q369	N103-T254 PolarHBondContact OD1-N 3.17Å; T254-L281 HydrophobicContact CG2-CD1 3.84Å; T254-Y285 HydrophobicContact CG2-CD1 3.99Å; T254-I368 WeakPolarHBondContact O-CG2 3.46Å; T254-Q369 HydrophobicContact CG2-CB 3.83Å; T254-Q369 HydrophobicContact CG2-CG 4.37Å; T254-Q369 PolarHBondContact O-N 3.08Å
255	L	95.5	Very high	90.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.7	-173.9	-57.1	179.7	0	0	0	111.1	A253 L278 Y285 T286 L288 I309 L312 V365 I368	A253-L255 HydrophobicContact CB-CD2 4.13Å; L255-L278 HydrophobicContact CD1-CD2 3.85Å; L255-Y285 CarbonylContact O-C 3.52Å; L255-Y285 VanDerWaalsContact O-CA 3.28Å; L255-Y285 WeakPolarHBondContact O-CA 3.17Å; L255-T286 HydrophobicContact CB-CG2 3.82Å; L255-T286 HydrophobicContact CD1-CG2 4.38Å; L255-T286 PolarHBondContact N-O 3.18Å; L255-T286 PolarHBondContact O-N 3.45Å; L255-L288 HydrophobicContact CD1-CB 3.66Å; L255-L288 HydrophobicContact CD1-CD1 4.19Å; L255-L288 HydrophobicContact CD1-CD2 4.14Å; L255-L288 HydrophobicContact CD1-CG 4.21Å; L255-L288 HydrophobicContact CG-CB 4Å; L255-I309 HydrophobicContact CD2-CD1 3.81Å; L255-L312 HydrophobicContact CD1-CD2 3.4Å; L255-L312 HydrophobicContact CD2-CD2 4.48Å; L255-V365 HydrophobicContact CB-CG1 3.79Å; L255-V365 HydrophobicContact CD1-CG1 4.03Å; L255-V365 HydrophobicContact CD1-CG2 4.06Å; L255-V365 HydrophobicContact CD2-CG1 4.24Å; L255-V365 HydrophobicContact CG-CG1 4.25Å; L255-I368 HydrophobicContact CD2-CG1 4.05Å
256	K	95.3	Very high	90.5	Very high	74 Å²	74	36.8 Å²	36.8	32%	0.322	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.6	171.2	-172	172.8	-176.2	173.7	0	110.1	E284 Y285 V365 V366 S367	K256-E284 CarbonylContact C-O 3.49Å; K256-E284 WeakPolarHBondContact CA-O 3.43Å; K256-Y285 HydrophobicContact CB-CD1 4.26Å; K256-Y285 HydrophobicContact CB-CE1 3.94Å; K256-Y285 HydrophobicContact CG-CE1 4.26Å; K256-V365 WeakPolarHBondContact O-CG1 3.3Å; K256-V366 PolarHBondContact O-N 3.12Å; K256-S367 PolarHBondContact N-O 3.14Å
257	L	94.2	Very high	91.1	Very high	11 Å²	11	36.6 Å²	36.6	6%	0.058	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	149.9	176.8	-63.9	176	0	0	0	111.3	Q259 N261 W267 E284 T286 P363 V365	L257-Q259 WeakPolarHBondContact CB-O 3.09Å; L257-N261 HydrophobicContact CD1-CB 3.87Å; L257-W267 HydrophobicContact CD1-CH2 4.49Å; L257-W267 HydrophobicContact CD1-CZ3 4.34Å; L257-E284 PolarHBondContact N-O 3.5Å; L257-T286 HydrophobicContact CD2-CG2 3.77Å; L257-T286 HydrophobicContact CG-CG2 4.1Å; L257-P363 HydrophobicContact CD2-CB 4.25Å; L257-V365 HydrophobicContact CD2-CG2 4.37Å
258	E	92.2	Very high	91.4	Very high	122 Å²	122	34.2 Å²	34.2	57%	0.57	17%	0.173	S	C	*	.	S	Bend	trans	-72.9	-40.5	172	-174	176.9	-169.1	0	0	111.4	S364 V366	E258-S364 PolarHBondContact N-O 2.98Å; E258-S364 WeakPolarHBondContact OE2-CB 3.5Å; E258-S364 PolarHBondContact OE2-OG 2.97Å; E258-V366 VanDerWaalsContact CA-CG2 3.42Å; E258-V366 HydrophobicContact CB-CG2 3.6Å; E258-V366 HydrophobicContact CG-CG2 4.1Å
259	Q	89.6	Confident	91.4	Very high	134 Å²	134	34.5 Å²	34.5	63%	0.626	17%	0.174	S	C	*	.	S	Bend	trans	-114.2	139.1	179.6	-63.6	179.5	1.6	0	0	110.3	L257 N261	L257-Q259 WeakPolarHBondContact CB-O 3.09Å; Q259-N261 PolarHBondContact O-N 3.46Å
260	A	89.2	Confident	91.1	Very high	55 Å²	55	32.4 Å²	32.4	46%	0.455	17%	0.165	S	C	.	.			trans	-66.1	124.5	-179.3	0	0	0	0	0	111.8	N262 K283	A260-N262 VanDerWaalsContact C-N 3.32Å; A260-N262 PolarHBondContact O-N 2.66Å; A260-K283 CarbonylContact C-O 3.53Å; A260-K283 VanDerWaalsContact CA-O 3.27Å; A260-K283 WeakPolarHBondContact CA-O 3.41Å; A260-K283 HydrophobicContact CB-CB 4.32Å
261	N	87.8	Confident	90.7	Very high	8 Å²	8	33 Å²	33	4%	0.043	17%	0.168	C	C	.	.			trans	-79.4	75.8	174	-173.7	4.9	0	0	0	111.2	L257 Q259 E263 S264 I265 W267 K283	L257-N261 HydrophobicContact CD1-CB 3.87Å; Q259-N261 PolarHBondContact O-N 3.46Å; N261-E263 VanDerWaalsContact C-N 3.28Å; N261-E263 PolarHBondContact O-N 3.17Å; N261-S264 PolarHBondContact O-N 2.75Å; N261-S264 PolarHBondContact OD1-N 2.78Å; N261-S264 VanDerWaalsContact OD1-N 3.12Å; N261-I265 PolarHBondContact ND2-N 3.02Å; N261-I265 PolarHBondContact ND2-O 3.16Å; N261-I265 PolarHBondContact OD1-N 3.39Å; N261-W267 HydrophobicContact CB-CH2 3.89Å; N261-W267 HydrophobicContact CB-CZ3 4.39Å; N261-W267 WeakPolarHBondContact ND2-CH2 3.35Å; N261-W267 WeakPolarHBondContact ND2-CZ3 3.5Å; N261-K283 PolarHBondContact N-O 3.46Å
262	N	85.2	Confident	89.9	Confident	107 Å²	107	34.5 Å²	34.5	57%	0.572	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-27.6	-177.9	-71.3	-50.1	0	0	0	113.6	A260 S264 K283	A260-N262 VanDerWaalsContact C-N 3.32Å; A260-N262 PolarHBondContact O-N 2.66Å; N262-S264 VanDerWaalsContact C-N 3.34Å; N262-K283 WeakPolarHBondContact OD1-CD 3.27Å; N262-K283 WeakPolarHBondContact OD1-CE 3.3Å; N262-K283 PolarHBondContact OD1-NZ 3.43Å
263	E	85	Confident	89.4	Confident	96 Å²	96	36.7 Å²	36.7	45%	0.449	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-6.1	-178.1	-69.1	-168.8	-176.4	0	0	113.6	N134 K135 N261 I265	N134-E263 PolarHBondContact ND2-O 3Å; K135-E263 WeakPolarHBondContact CD-OE2 3.34Å; K135-E263 WeakPolarHBondContact CE-OE2 3.18Å; K135-E263 IonicContact NZ-OE1 3.8Å; K135-E263 IonicContact NZ-OE2 2.73Å; K135-E263 PolarHBondContact NZ-OE2 3.38Å; N261-E263 VanDerWaalsContact C-N 3.28Å; N261-E263 PolarHBondContact O-N 3.17Å; E263-I265 HydrophobicContact CB-CD1 3.86Å; E263-I265 HydrophobicContact CB-CG1 3.69Å
264	S	90	Very high	88.9	Confident	11 Å²	11	36.9 Å²	36.9	8%	0.077	19%	0.193	C	C	.	.			trans	54.5	51.6	-174.1	-43.9	0	0	0	0	112.4	Q131 P132 V133 N134 N261 N262	Q131-S264 PolarHBondContact NE2-OG 3.45Å; P132-S264 WeakPolarHBondContact O-CB 3.19Å; V133-S264 WeakPolarHBondContact CA-O 3.36Å; N134-S264 PolarHBondContact N-O 2.86Å; N134-S264 VanDerWaalsContact N-O 3.12Å; N261-S264 PolarHBondContact O-N 2.75Å; N261-S264 PolarHBondContact OD1-N 2.78Å; N261-S264 VanDerWaalsContact OD1-N 3.12Å; N262-S264 VanDerWaalsContact C-N 3.34Å
265	I	91.1	Very high	88.6	Confident	14 Å²	14	37.4 Å²	37.4	7%	0.072	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	131.6	177.5	-58.6	164.2	0	0	0	108.9	K135 K137 N261 E263 W267	K135-I265 HydrophobicContact CB-CG1 4.07Å; K135-I265 HydrophobicContact CD-CG1 4.45Å; K135-I265 CarbonylContact O-C 3.58Å; K135-I265 WeakPolarHBondContact O-CA 3.47Å; K137-I265 HydrophobicContact CB-CG2 4.28Å; K137-I265 HydrophobicContact CD-CG2 4.13Å; K137-I265 HydrophobicContact CG-CG2 3.92Å; N261-I265 PolarHBondContact ND2-N 3.02Å; N261-I265 PolarHBondContact ND2-O 3.16Å; N261-I265 PolarHBondContact OD1-N 3.39Å; E263-I265 HydrophobicContact CB-CD1 3.86Å; E263-I265 HydrophobicContact CB-CG1 3.69Å; I265-W267 HydrophobicContact CB-CH2 4.23Å; I265-W267 HydrophobicContact CB-CZ2 3.87Å; I265-W267 HydrophobicContact CD1-CZ2 4.39Å; I265-W267 HydrophobicContact CG2-CD2 4.07Å; I265-W267 HydrophobicContact CG2-CG 4.39Å; I265-W267 HydrophobicContact CG2-CZ2 4.06Å; I265-W267 VanDerWaalsContact O-CE3 3.26Å; I265-W267 WeakPolarHBondContact O-CZ3 3.47Å
266	A	91.5	Very high	88.4	Confident	3 Å²	3	37.4 Å²	37.4	3%	0.025	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	141.1	161.3	0	0	0	0	0	109.9	V133 K135 M136 K137 L278 L279	V133-A266 HydrophobicContact CG1-CB 3.57Å; K135-A266 PolarHBondContact O-N 3.04Å; M136-A266 CarbonylContact C-O 3.39Å; M136-A266 VanDerWaalsContact CA-O 3.26Å; M136-A266 WeakPolarHBondContact CA-O 3.46Å; M136-A266 HydrophobicContact CB-CB 4.38Å; M136-A266 HydrophobicContact CG-CB 4.23Å; K137-A266 PolarHBondContact N-O 2.92Å; A266-L278 WeakPolarHBondContact CA-O 3.27Å; A266-L279 HydrophobicContact CB-CD2 4.11Å
267	W	91.1	Very high	88.3	Confident	21 Å²	21	34.7 Å²	34.7	8%	0.08	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.8	179.2	-68.5	-85.4	0	0	0	109.8	K137 W139 L257 N261 I265 A277 L278 P363	K137-W267 WeakPolarHBondContact O-CA 3.38Å; W139-W267 HydrophobicContact CH2-CB 3.81Å; W139-W267 HydrophobicContact CH2-CG 4.24Å; W139-W267 HydrophobicContact CZ3-CB 3.6Å; W139-W267 AromaticContact CZ3-CD1 3.72Å; W139-W267 HydrophobicContact CZ3-CG 4.05Å; L257-W267 HydrophobicContact CD1-CH2 4.49Å; L257-W267 HydrophobicContact CD1-CZ3 4.34Å; N261-W267 HydrophobicContact CB-CH2 3.89Å; N261-W267 HydrophobicContact CB-CZ3 4.39Å; N261-W267 WeakPolarHBondContact ND2-CH2 3.35Å; N261-W267 WeakPolarHBondContact ND2-CZ3 3.5Å; I265-W267 HydrophobicContact CB-CH2 4.23Å; I265-W267 HydrophobicContact CB-CZ2 3.87Å; I265-W267 HydrophobicContact CD1-CZ2 4.39Å; I265-W267 HydrophobicContact CG2-CD2 4.07Å; I265-W267 HydrophobicContact CG2-CG 4.39Å; I265-W267 HydrophobicContact CG2-CZ2 4.06Å; I265-W267 VanDerWaalsContact O-CE3 3.26Å; I265-W267 WeakPolarHBondContact O-CZ3 3.47Å; W267-A277 CarbonylContact O-C 3.48Å; W267-A277 VanDerWaalsContact O-CA 3.3Å; W267-A277 WeakPolarHBondContact O-CA 3.29Å; W267-L278 HydrophobicContact CB-CB 4.18Å; W267-L278 HydrophobicContact CB-CD1 4.44Å; W267-L278 HydrophobicContact CE3-CB 4.13Å; W267-L278 PolarHBondContact N-O 3.26Å; W267-L278 PolarHBondContact O-N 3Å; W267-P363 HydrophobicContact CB-CG 4.27Å; W267-P363 HydrophobicContact CD2-CB 4.11Å; W267-P363 HydrophobicContact CD2-CG 3.72Å; W267-P363 HydrophobicContact CE3-CB 4.2Å; W267-P363 HydrophobicContact CE3-CG 4.11Å; W267-P363 HydrophobicContact CG-CG 3.79Å; W267-P363 HydrophobicContact CH2-CB 4.21Å; W267-P363 HydrophobicContact CZ2-CB 4.17Å; W267-P363 HydrophobicContact CZ3-CB 4.23Å
268	Q	89.7	Confident	88.3	Confident	6 Å²	6	34.2 Å²	34.2	3%	0.028	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	119.3	172.3	-177.9	167.6	-11.1	0	0	110	M136 K137 V138 W139 F270 I276 L405	M136-Q268 HydrophobicContact CE-CB 3.83Å; K137-Q268 PolarHBondContact O-N 3.39Å; V138-Q268 CarbonylContact C-O 3.36Å; V138-Q268 VanDerWaalsContact CA-O 3.23Å; V138-Q268 WeakPolarHBondContact CA-O 3.33Å; V138-Q268 HydrophobicContact CG2-CB 4.26Å; W139-Q268 PolarHBondContact N-O 2.79Å; Q268-F270 HydrophobicContact CG-CE2 4.26Å; Q268-F270 VanDerWaalsContact NE2-CZ 3.35Å; Q268-I276 CarbonylContact C-O 3.58Å; Q268-I276 VanDerWaalsContact CA-O 3.32Å; Q268-I276 WeakPolarHBondContact CA-O 3.47Å; Q268-L405 PolarHBondContact NE2-O 3.32Å; Q268-L405 PolarHBondContact OE1-O 2.95Å
269	R	88	Confident	88.4	Confident	10 Å²	10	29.9 Å²	29.9	4%	0.038	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.5	174.7	-171.2	178.6	168.5	163.8	-16.6	109.7	W139 T141 L271 P275 I276 C315 L316 K318	W139-R269 HydrophobicContact CD2-CB 4.04Å; W139-R269 HydrophobicContact CD2-CG 4.14Å; W139-R269 HydrophobicContact CE3-CB 4.4Å; W139-R269 HydrophobicContact CG-CG 4.35Å; W139-R269 HydrophobicContact CH2-CB 4.08Å; W139-R269 HydrophobicContact CZ2-CB 3.67Å; W139-R269 HydrophobicContact CZ2-CG 4.04Å; W139-R269 HydrophobicContact CZ3-CB 4.43Å; W139-R269 VanDerWaalsContact NE1-CD 3.32Å; W139-R269 WeakPolarHBondContact O-CA 3.03Å; T141-R269 PolarHBondContact OG1-NE 3.01Å; T141-R269 PolarHBondContact OG1-NH2 3.44Å; R269-L271 HydrophobicContact CG-CD2 3.96Å; R269-L271 VanDerWaalsContact NE-CD2 3.26Å; R269-P275 CarbonylContact O-C 3.58Å; R269-P275 WeakPolarHBondContact O-CA 3.31Å; R269-I276 PolarHBondContact N-O 3.4Å; R269-I276 PolarHBondContact O-N 2.92Å; R269-C315 WeakPolarHBondContact CD-O 3.3Å; R269-C315 PolarHBondContact NE-O 3.01Å; R269-C315 VanDerWaalsContact NE-O 3.09Å; R269-C315 PolarHBondContact NH1-O 3.15Å; R269-L316 PolarHBondContact NH1-O 3.4Å; R269-K318 PolarHBondContact NH1-O 3.48Å; R269-K318 PolarHBondContact NH2-O 2.88Å
270	F	84.9	Confident	88.5	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.3	169.8	-72.9	-86.4	0	0	0	110.8	V138 W139 T141 Q268 P275 L405 I461 Y465	V138-F270 HydrophobicContact CG1-CD2 3.84Å; V138-F270 HydrophobicContact CG1-CE2 3.54Å; W139-F270 PolarHBondContact O-N 3.46Å; T141-F270 PolarHBondContact N-O 3.08Å; T141-F270 PolarHBondContact OG1-O 3.25Å; Q268-F270 HydrophobicContact CG-CE2 4.26Å; Q268-F270 VanDerWaalsContact NE2-CZ 3.35Å; F270-P275 HydrophobicContact CD1-CB 4.11Å; F270-P275 HydrophobicContact CE1-CB 4.25Å; F270-L405 HydrophobicContact CE1-CD2 3.55Å; F270-L405 HydrophobicContact CZ-CD2 4.01Å; F270-I461 HydrophobicContact CE1-CG2 3.9Å; F270-I461 HydrophobicContact CZ-CG2 3.96Å; F270-Y465 HydrophobicContact CB-CD1 3.37Å; F270-Y465 HydrophobicContact CB-CD2 4.19Å; F270-Y465 HydrophobicContact CB-CE1 3.36Å; F270-Y465 HydrophobicContact CB-CE2 4.19Å; F270-Y465 HydrophobicContact CB-CG 3.79Å; F270-Y465 HydrophobicContact CD1-CD1 4.1Å; F270-Y465 AromaticContact CD1-CD2 3.38Å; F270-Y465 HydrophobicContact CD1-CD2 3.38Å; F270-Y465 HydrophobicContact CD1-CE1 4.35Å; F270-Y465 AromaticContact CD1-CE2 3.69Å; F270-Y465 HydrophobicContact CD1-CE2 3.69Å; F270-Y465 AromaticContact CD1-CG 3.6Å; F270-Y465 HydrophobicContact CD1-CG 3.6Å; F270-Y465 HydrophobicContact CD2-CD2 4.48Å; F270-Y465 HydrophobicContact CD2-CE1 4.34Å; F270-Y465 AromaticContact CD2-CE2 3.97Å; F270-Y465 HydrophobicContact CD2-CE2 3.97Å; F270-Y465 AromaticContact CD2-CZ 3.92Å; F270-Y465 AromaticContact CE1-CD2 3.77Å; F270-Y465 HydrophobicContact CE1-CD2 3.77Å; F270-Y465 AromaticContact CE1-CE2 3.97Å; F270-Y465 HydrophobicContact CE1-CE2 3.97Å; F270-Y465 HydrophobicContact CE1-CG 4.4Å; F270-Y465 HydrophobicContact CE2-CE2 4.24Å; F270-Y465 AromaticContact CG-CD1 3.91Å; F270-Y465 HydrophobicContact CG-CD1 3.91Å; F270-Y465 AromaticContact CG-CD2 3.78Å; F270-Y465 HydrophobicContact CG-CD2 3.78Å; F270-Y465 AromaticContact CG-CE1 3.8Å; F270-Y465 HydrophobicContact CG-CE1 3.8Å; F270-Y465 AromaticContact CG-CE2 3.68Å; F270-Y465 HydrophobicContact CG-CE2 3.68Å; F270-Y465 AromaticContact CG-CG 3.88Å; F270-Y465 HydrophobicContact CG-CG 3.88Å; F270-Y465 AromaticContact CG-CZ 3.72Å; F270-Y465 HydrophobicContact CZ-CD2 4.47Å; F270-Y465 HydrophobicContact CZ-CE2 4.24Å
271	L	84.5	Confident	88.7	Confident	12 Å²	12	21.4 Å²	21.4	6%	0.063	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	156.1	170.2	-48	-179.2	0	0	0	110.3	T141 R269 T273 G274 I276 C315	T141-L271 WeakPolarHBondContact OG1-CD2 3.46Å; R269-L271 HydrophobicContact CG-CD2 3.96Å; R269-L271 VanDerWaalsContact NE-CD2 3.26Å; L271-T273 PolarHBondContact O-N 3.3Å; L271-T273 VanDerWaalsContact O-N 3.14Å; L271-G274 VanDerWaalsContact CB-O 3.23Å; L271-G274 WeakPolarHBondContact CB-O 3.45Å; L271-G274 PolarHBondContact N-O 3.42Å; L271-G274 PolarHBondContact O-N 2.94Å; L271-G274 VanDerWaalsContact O-N 3.08Å; L271-I276 HydrophobicContact CD1-CD1 3.53Å; L271-I276 HydrophobicContact CD1-CG1 3.88Å; L271-I276 HydrophobicContact CG-CD1 4.35Å; L271-I276 HydrophobicContact CG-CG1 4.38Å; L271-C315 HydrophobicContact CD1-CB 4.1Å
272	P	77.8	Confident	89	Confident	33 Å²	33	22.1 Å²	22.1	21%	0.214	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-27.7	171.2	-29.5	37.9	0	0	0	114.8	T467	P272-T467 HydrophobicContact CB-CG2 3.71Å; P272-T467 HydrophobicContact CG-CG2 4.3Å
273	T	83.5	Confident	89.3	Confident	52 Å²	52	22.8 Å²	22.8	32%	0.319	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-18.9	-179	48	0	0	0	0	113.6	L271 T292 Y470	L271-T273 PolarHBondContact O-N 3.3Å; L271-T273 VanDerWaalsContact O-N 3.14Å; T273-T292 WeakPolarHBondContact O-CA 3.05Å; T273-Y470 PolarHBondContact O-OH 3.33Å
274	G	84.9	Confident	89.6	Confident	3 Å²	3	23 Å²	23	3%	0.031	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.7	162.5	-175.4	0	0	0	0	0	111.7	L271 S291	L271-G274 VanDerWaalsContact CB-O 3.23Å; L271-G274 WeakPolarHBondContact CB-O 3.45Å; L271-G274 PolarHBondContact N-O 3.42Å; L271-G274 PolarHBondContact O-N 2.94Å; L271-G274 VanDerWaalsContact O-N 3.08Å; G274-S291 CarbonylContact C-O 3.5Å; G274-S291 WeakPolarHBondContact CA-O 3.13Å
275	P	89.2	Confident	89.9	Confident	11 Å²	11	24.7 Å²	24.7	7%	0.071	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	149.8	-175.7	31.3	-39.1	0	0	0	113.3	R269 F270 S291 L405	R269-P275 CarbonylContact O-C 3.58Å; R269-P275 WeakPolarHBondContact O-CA 3.31Å; F270-P275 HydrophobicContact CD1-CB 4.11Å; F270-P275 HydrophobicContact CE1-CB 4.25Å; P275-S291 PolarHBondContact O-N 3.24Å; P275-L405 HydrophobicContact CB-CD2 4.28Å; P275-L405 HydrophobicContact CG-CD2 3.74Å
276	I	92.5	Very high	90.1	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.3	164.9	-61.1	-178	0	0	0	107.9	Q268 R269 L271 L288 W290 L312 C315 L316	Q268-I276 CarbonylContact C-O 3.58Å; Q268-I276 VanDerWaalsContact CA-O 3.32Å; Q268-I276 WeakPolarHBondContact CA-O 3.47Å; R269-I276 PolarHBondContact N-O 3.4Å; R269-I276 PolarHBondContact O-N 2.92Å; L271-I276 HydrophobicContact CD1-CD1 3.53Å; L271-I276 HydrophobicContact CD1-CG1 3.88Å; L271-I276 HydrophobicContact CG-CD1 4.35Å; L271-I276 HydrophobicContact CG-CG1 4.38Å; I276-L288 HydrophobicContact CG2-CD1 3.77Å; I276-W290 HydrophobicContact CD1-CD2 3.93Å; I276-W290 HydrophobicContact CD1-CE3 4.5Å; I276-W290 HydrophobicContact CD1-CG 4.19Å; I276-W290 HydrophobicContact CD1-CZ2 4.04Å; I276-W290 HydrophobicContact CG1-CB 4.44Å; I276-W290 HydrophobicContact CG1-CD2 4.11Å; I276-W290 HydrophobicContact CG1-CG 3.81Å; I276-L312 HydrophobicContact CD1-CD1 4.08Å; I276-L312 HydrophobicContact CG2-CD1 4.05Å; I276-C315 HydrophobicContact CD1-CB 3.72Å; I276-L316 HydrophobicContact CG2-CD2 4.11Å
277	A	92.3	Very high	90.2	Very high	16 Å²	16	24 Å²	24	13%	0.132	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.6	172.3	0	0	0	0	0	111	W267 L288 V289	W267-A277 CarbonylContact O-C 3.48Å; W267-A277 VanDerWaalsContact O-CA 3.3Å; W267-A277 WeakPolarHBondContact O-CA 3.29Å; A277-L288 CarbonylContact O-C 3.59Å; A277-L288 WeakPolarHBondContact O-CA 3.17Å; A277-V289 HydrophobicContact CB-CB 4.34Å; A277-V289 PolarHBondContact N-O 2.63Å; A277-V289 PolarHBondContact O-N 2.93Å
278	L	94.2	Very high	90.4	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	114.8	173.2	-58.9	173.6	0	0	0	108.1	L255 A266 W267 T286 S287 L288 L316 P363	L255-L278 HydrophobicContact CD1-CD2 3.85Å; A266-L278 WeakPolarHBondContact CA-O 3.27Å; W267-L278 HydrophobicContact CB-CB 4.18Å; W267-L278 HydrophobicContact CB-CD1 4.44Å; W267-L278 HydrophobicContact CE3-CB 4.13Å; W267-L278 PolarHBondContact N-O 3.26Å; W267-L278 PolarHBondContact O-N 3Å; L278-T286 HydrophobicContact CB-CG2 4.4Å; L278-T286 HydrophobicContact CD2-CG2 4.11Å; L278-S287 CarbonylContact C-O 3.58Å; L278-S287 WeakPolarHBondContact CA-O 3.49Å; L278-L288 HydrophobicContact CD2-CB 4.34Å; L278-L288 HydrophobicContact CD2-CD1 3.58Å; L278-L316 HydrophobicContact CD1-CD1 3.91Å; L278-L316 HydrophobicContact CD1-CD2 4.13Å; L278-P363 HydrophobicContact CD1-CB 4.14Å; L278-P363 HydrophobicContact CD1-CG 3.5Å
279	L	93.4	Very high	90.6	Very high	32 Å²	32	23.8 Å²	23.8	17%	0.168	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.8	-176	-55.6	177.9	0	0	0	109.7	I157 A266 L281 T286 S287	I157-L279 HydrophobicContact CD1-CB 4.05Å; I157-L279 HydrophobicContact CD1-CD1 4.22Å; I157-L279 HydrophobicContact CG1-CB 4.16Å; A266-L279 HydrophobicContact CB-CD2 4.11Å; L279-L281 PolarHBondContact O-N 3.39Å; L279-T286 VanDerWaalsContact C-OG1 3.29Å; L279-T286 PolarHBondContact N-OG1 3.42Å; L279-T286 CarbonylContact O-C 3.59Å; L279-T286 WeakPolarHBondContact O-CA 3.39Å; L279-T286 PolarHBondContact O-OG1 2.87Å; L279-S287 PolarHBondContact N-O 3.09Å; L279-S287 PolarHBondContact O-N 2.67Å
280	P	93.7	Very high	90.9	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	132.9	-174.2	27.9	-34.9	0	0	0	111.4	Q131 V133 I157	Q131-P280 WeakPolarHBondContact CB-O 3.42Å; Q131-P280 HydrophobicContact CG-CB 4.13Å; Q131-P280 HydrophobicContact CG-CG 4.45Å; Q131-P280 VanDerWaalsContact CG-O 3.27Å; Q131-P280 WeakPolarHBondContact CG-O 3.22Å; V133-P280 HydrophobicContact CG2-CG 3.93Å; I157-P280 WeakPolarHBondContact CB-O 3.1Å; I157-P280 WeakPolarHBondContact CG1-O 3.31Å
281	L	93.1	Very high	91.3	Very high	9 Å²	9	23.7 Å²	23.7	5%	0.047	12%	0.124	C	C	.	.	S	Bend	trans	-108	-30.8	171.9	-62.2	174.1	0	0	0	111.7	Y101 V105 Q131 I157 T254 L279 Y285	Y101-L281 HydrophobicContact CD1-CB 4.06Å; Y101-L281 HydrophobicContact CD1-CD1 4.15Å; Y101-L281 HydrophobicContact CD1-CG 4.5Å; Y101-L281 HydrophobicContact CD2-CD1 4.47Å; Y101-L281 HydrophobicContact CE1-CB 3.96Å; Y101-L281 HydrophobicContact CG-CB 4.37Å; Y101-L281 HydrophobicContact CG-CD1 3.95Å; V105-L281 HydrophobicContact CB-CD2 4.35Å; V105-L281 HydrophobicContact CG1-CD2 3.75Å; V105-L281 HydrophobicContact CG2-CD2 4.39Å; Q131-L281 WeakPolarHBondContact CB-O 3.42Å; I157-L281 HydrophobicContact CB-CD2 4.41Å; I157-L281 HydrophobicContact CG2-CD2 3.47Å; I157-L281 VanDerWaalsContact CG2-CD2 3.47Å; T254-L281 HydrophobicContact CG2-CD1 3.84Å; L279-L281 PolarHBondContact O-N 3.39Å; L281-Y285 PolarHBondContact N-O 2.9Å
282	S	92.7	Very high	91.6	Very high	23 Å²	23	23.1 Å²	23.1	16%	0.161	12%	0.122	C	C	.	.	S	Bend	trans	-156.6	-170.6	171.1	73.5	0	0	0	0	109.1	E284 Y285	S282-E284 PolarHBondContact O-N 2.99Å; S282-E284 PolarHBondContact OG-N 3.4Å; S282-Y285 PolarHBondContact N-O 3.15Å; S282-Y285 PolarHBondContact OG-N 2.84Å
283	K	91.5	Very high	92.2	Very high	121 Å²	121	22.7 Å²	22.7	53%	0.526	12%	0.119	S	C	.	.	S	Bend	trans	-61.2	-34.9	171.4	-67.2	-175.8	176.1	-167.4	0	112.3	A260 N261 N262	A260-K283 CarbonylContact C-O 3.53Å; A260-K283 VanDerWaalsContact CA-O 3.27Å; A260-K283 WeakPolarHBondContact CA-O 3.41Å; A260-K283 HydrophobicContact CB-CB 4.32Å; N261-K283 PolarHBondContact N-O 3.46Å; N262-K283 WeakPolarHBondContact OD1-CD 3.27Å; N262-K283 WeakPolarHBondContact OD1-CE 3.3Å; N262-K283 PolarHBondContact OD1-NZ 3.43Å
284	E	93	Very high	92.5	Very high	101 Å²	101	21.8 Å²	21.8	47%	0.472	11%	0.114	S	C	.	.	S	Bend	trans	-103.1	-23.2	-174.1	-62.8	-173.5	-177.8	0	0	113.3	K256 L257 S282	K256-E284 CarbonylContact C-O 3.49Å; K256-E284 WeakPolarHBondContact CA-O 3.43Å; L257-E284 PolarHBondContact N-O 3.5Å; S282-E284 PolarHBondContact O-N 2.99Å; S282-E284 PolarHBondContact OG-N 3.4Å
285	Y	94.8	Very high	92.9	Very high	47 Å²	47	30 Å²	30	18%	0.184	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	141.6	-173.4	-68.6	-79.9	0	0	0	112.4	Y101 T254 L255 K256 L281 S282 Q369	Y101-Y285 HydrophobicContact CD2-CD2 4.35Å; Y101-Y285 HydrophobicContact CD2-CG 4.21Å; Y101-Y285 AromaticContact CE2-CD2 3.94Å; Y101-Y285 HydrophobicContact CE2-CD2 3.94Å; Y101-Y285 HydrophobicContact CE2-CG 4.16Å; T254-Y285 HydrophobicContact CG2-CD1 3.99Å; L255-Y285 CarbonylContact O-C 3.52Å; L255-Y285 VanDerWaalsContact O-CA 3.28Å; L255-Y285 WeakPolarHBondContact O-CA 3.17Å; K256-Y285 HydrophobicContact CB-CD1 4.26Å; K256-Y285 HydrophobicContact CB-CE1 3.94Å; K256-Y285 HydrophobicContact CG-CE1 4.26Å; L281-Y285 PolarHBondContact N-O 2.9Å; S282-Y285 PolarHBondContact N-O 3.15Å; S282-Y285 PolarHBondContact OG-N 2.84Å; Y285-Q369 HydrophobicContact CD1-CB 4.4Å; Y285-Q369 HydrophobicContact CD1-CG 4.44Å; Y285-Q369 HydrophobicContact CE1-CB 4.05Å; Y285-Q369 HydrophobicContact CE1-CG 3.88Å
286	T	95.1	Very high	93.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.1	176.1	-169	0	0	0	0	110.3	L255 L257 L278 L279	L255-T286 HydrophobicContact CB-CG2 3.82Å; L255-T286 HydrophobicContact CD1-CG2 4.38Å; L255-T286 PolarHBondContact N-O 3.18Å; L255-T286 PolarHBondContact O-N 3.45Å; L257-T286 HydrophobicContact CD2-CG2 3.77Å; L257-T286 HydrophobicContact CG-CG2 4.1Å; L278-T286 HydrophobicContact CB-CG2 4.4Å; L278-T286 HydrophobicContact CD2-CG2 4.11Å; L279-T286 VanDerWaalsContact C-OG1 3.29Å; L279-T286 PolarHBondContact N-OG1 3.42Å; L279-T286 CarbonylContact O-C 3.59Å; L279-T286 WeakPolarHBondContact O-CA 3.39Å; L279-T286 PolarHBondContact O-OG1 2.87Å
287	S	94.9	Very high	93.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	126.3	171.3	-177.7	0	0	0	0	109.4	V105 L278 L279	V105-S287 VanDerWaalsContact CG2-OG 3.3Å; V105-S287 WeakPolarHBondContact CG2-OG 3.37Å; L278-S287 CarbonylContact C-O 3.58Å; L278-S287 WeakPolarHBondContact CA-O 3.49Å; L279-S287 PolarHBondContact N-O 3.09Å; L279-S287 PolarHBondContact O-N 2.67Å
288	L	95.4	Very high	93.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	135.9	172.7	179	67.9	0	0	0	110.4	V252 A253 L255 I276 A277 L278 W290 F308 L312	V252-L288 VanDerWaalsContact CA-O 3.25Å; V252-L288 WeakPolarHBondContact CA-O 3.37Å; A253-L288 HydrophobicContact CB-CB 4.39Å; A253-L288 HydrophobicContact CB-CD2 4.35Å; A253-L288 PolarHBondContact N-O 2.9Å; A253-L288 WeakPolarHBondContact O-CB 3.47Å; A253-L288 PolarHBondContact O-N 3.4Å; L255-L288 HydrophobicContact CD1-CB 3.66Å; L255-L288 HydrophobicContact CD1-CD1 4.19Å; L255-L288 HydrophobicContact CD1-CD2 4.14Å; L255-L288 HydrophobicContact CD1-CG 4.21Å; L255-L288 HydrophobicContact CG-CB 4Å; I276-L288 HydrophobicContact CG2-CD1 3.77Å; A277-L288 CarbonylContact O-C 3.59Å; A277-L288 WeakPolarHBondContact O-CA 3.17Å; L278-L288 HydrophobicContact CD2-CB 4.34Å; L278-L288 HydrophobicContact CD2-CD1 3.58Å; L288-W290 HydrophobicContact CD1-CB 4.17Å; L288-W290 HydrophobicContact CD2-CB 4.25Å; L288-W290 HydrophobicContact CG-CB 4.18Å; L288-F308 HydrophobicContact CD2-CE1 3.98Å; L288-F308 HydrophobicContact CD2-CZ 3.64Å; L288-L312 HydrophobicContact CD1-CD1 3.89Å; L288-L312 HydrophobicContact CD1-CD2 4.27Å; L288-L312 HydrophobicContact CD2-CD2 4.19Å
289	V	94	Very high	93.4	Very high	24 Å²	24	37.5 Å²	37.5	15%	0.145	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	99	159.7	-173.2	0	0	0	0	107.8	A250 I251 V252 A277	A250-V289 HydrophobicContact CB-CG1 4.17Å; I251-V289 WeakPolarHBondContact O-CA 3.4Å; V252-V289 HydrophobicContact CG1-CG1 4.48Å; V252-V289 HydrophobicContact CG1-CG2 4.16Å; A277-V289 HydrophobicContact CB-CB 4.34Å; A277-V289 PolarHBondContact N-O 2.63Å; A277-V289 PolarHBondContact O-N 2.93Å
290	W	94.2	Very high	93.5	Very high	2 Å²	2	36 Å²	36	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	103.1	177.3	-173.1	-9.3	0	0	0	109.7	A250 I251 I276 L288 L300 F308 E311 L312 C315	A250-W290 CarbonylContact C-O 3.55Å; A250-W290 VanDerWaalsContact CA-O 3.31Å; A250-W290 WeakPolarHBondContact CA-O 3.38Å; I251-W290 HydrophobicContact CB-CB 4.33Å; I251-W290 PolarHBondContact N-O 2.97Å; I251-W290 PolarHBondContact O-N 2.86Å; I276-W290 HydrophobicContact CD1-CD2 3.93Å; I276-W290 HydrophobicContact CD1-CE3 4.5Å; I276-W290 HydrophobicContact CD1-CG 4.19Å; I276-W290 HydrophobicContact CD1-CZ2 4.04Å; I276-W290 HydrophobicContact CG1-CB 4.44Å; I276-W290 HydrophobicContact CG1-CD2 4.11Å; I276-W290 HydrophobicContact CG1-CG 3.81Å; L288-W290 HydrophobicContact CD1-CB 4.17Å; L288-W290 HydrophobicContact CD2-CB 4.25Å; L288-W290 HydrophobicContact CG-CB 4.18Å; W290-L300 HydrophobicContact CD2-CD1 4.05Å; W290-L300 HydrophobicContact CE3-CD1 4.11Å; W290-L300 HydrophobicContact CH2-CD1 3.8Å; W290-L300 HydrophobicContact CH2-CD2 3.9Å; W290-L300 HydrophobicContact CZ2-CD1 3.73Å; W290-L300 HydrophobicContact CZ3-CD1 3.98Å; W290-L300 HydrophobicContact CZ3-CD2 4.14Å; W290-F308 AromaticContact CE3-CE2 3.95Å; W290-F308 HydrophobicContact CE3-CE2 3.95Å; W290-F308 HydrophobicContact CE3-CZ 4.01Å; W290-F308 AromaticContact CZ3-CE2 3.97Å; W290-F308 HydrophobicContact CZ3-CE2 3.97Å; W290-F308 HydrophobicContact CZ3-CZ 4.26Å; W290-E311 HydrophobicContact CH2-CG 4.35Å; W290-L312 HydrophobicContact CE3-CD1 3.88Å; W290-L312 HydrophobicContact CZ3-CB 3.96Å; W290-L312 HydrophobicContact CZ3-CD1 3.95Å; W290-C315 HydrophobicContact CH2-CB 4.37Å; W290-C315 HydrophobicContact CZ2-CB 4.31Å
291	S	91.8	Very high	93.6	Very high	7 Å²	7	38.3 Å²	38.3	5%	0.049	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.2	174.5	-56.8	0	0	0	0	109.7	K249 G274 P275	K249-S291 WeakPolarHBondContact O-CA 3.05Å; G274-S291 CarbonylContact C-O 3.5Å; G274-S291 WeakPolarHBondContact CA-O 3.13Å; P275-S291 PolarHBondContact O-N 3.24Å
292	T	91.7	Very high	93.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	179	178.5	-170.8	0	0	0	0	110.8	Q248 K249 T273 E296 A297 L300	Q248-T292 CarbonylContact C-O 3.59Å; Q248-T292 WeakPolarHBondContact CA-O 3.43Å; Q248-T292 WeakPolarHBondContact CB-O 3.43Å; Q248-T292 WeakPolarHBondContact CG-O 3.5Å; K249-T292 PolarHBondContact N-O 3.47Å; K249-T292 PolarHBondContact O-N 3.36Å; T273-T292 WeakPolarHBondContact O-CA 3.05Å; T292-E296 HydrophobicContact CG2-CB 4.03Å; T292-E296 HydrophobicContact CG2-CG 4Å; T292-E296 WeakPolarHBondContact OG1-CB 3.46Å; T292-E296 WeakPolarHBondContact OG1-CG 3.43Å; T292-A297 HydrophobicContact CG2-CB 3.74Å; T292-L300 HydrophobicContact CG2-CD1 4.12Å
293	T	90.1	Very high	93.8	Very high	25 Å²	25	45.6 Å²	45.6	15%	0.153	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	153.5	176.2	69	0	0	0	0	110.4	Y295 E296 A297 Y470	T293-Y295 VanDerWaalsContact C-N 3.28Å; T293-Y295 PolarHBondContact O-N 3.44Å; T293-E296 PolarHBondContact O-N 3.43Å; T293-E296 WeakPolarHBondContact OG1-CB 3.47Å; T293-E296 PolarHBondContact OG1-N 2.76Å; T293-A297 VanDerWaalsContact O-CB 3.29Å; T293-A297 WeakPolarHBondContact O-CB 2.99Å; T293-A297 PolarHBondContact O-N 3.12Å; T293-Y470 VanDerWaalsContact CA-OH 3.29Å; T293-Y470 WeakPolarHBondContact CA-OH 3.16Å; T293-Y470 HydrophobicContact CG2-CD2 4.17Å; T293-Y470 HydrophobicContact CG2-CE1 3.9Å; T293-Y470 HydrophobicContact CG2-CE2 3.33Å; T293-Y470 WeakPolarHBondContact CG2-OH 3.49Å; T293-Y470 PolarHBondContact N-OH 2.98Å; T293-Y470 VanDerWaalsContact N-OH 3.09Å
294	S	91.1	Very high	94	Very high	33 Å²	33	47.1 Å²	47.1	23%	0.231	22%	0.223	C	C	.	.	H	α-helix	trans	-59.1	-41.2	176.5	-62.8	0	0	0	0	112.2	N247 A297 D298	N247-S294 WeakPolarHBondContact O-CB 3.5Å; N247-S294 PolarHBondContact O-N 3.18Å; N247-S294 PolarHBondContact O-OG 2.78Å; S294-A297 PolarHBondContact O-N 2.84Å; S294-D298 WeakPolarHBondContact O-CB 3.06Å; S294-D298 PolarHBondContact O-N 2.8Å; S294-D298 VanDerWaalsContact O-OD2 3.07Å
295	Y	92.4	Very high	94.1	Very high	175 Å²	175	46.4 Å²	46.4	69%	0.686	22%	0.222	S	C	*	.	H	α-helix	trans	-59.6	-49.8	176.2	173.4	-95.5	0	0	0	111.8	T293 D298 R299	T293-Y295 VanDerWaalsContact C-N 3.28Å; T293-Y295 PolarHBondContact O-N 3.44Å; Y295-D298 PolarHBondContact O-N 3.49Å; Y295-R299 PolarHBondContact O-N 2.91Å
296	E	92.9	Very high	94.1	Very high	38 Å²	38	47.8 Å²	47.8	18%	0.178	24%	0.239	C	C	.	.	H	α-helix	trans	-68.8	-37.7	-178.3	-177.3	66.9	164.7	0	0	111.8	T292 T293 D298 R299 L300	T292-E296 HydrophobicContact CG2-CB 4.03Å; T292-E296 HydrophobicContact CG2-CG 4Å; T292-E296 WeakPolarHBondContact OG1-CB 3.46Å; T292-E296 WeakPolarHBondContact OG1-CG 3.43Å; T293-E296 PolarHBondContact O-N 3.43Å; T293-E296 WeakPolarHBondContact OG1-CB 3.47Å; T293-E296 PolarHBondContact OG1-N 2.76Å; E296-D298 VanDerWaalsContact C-N 3.31Å; E296-D298 PolarHBondContact O-N 2.69Å; E296-R299 VanDerWaalsContact CD-NH2 3.26Å; E296-R299 PolarHBondContact O-N 3.21Å; E296-R299 IonicContact OE1-CZ 2.9Å; E296-R299 IonicContact OE1-NE 3.38Å; E296-R299 IonicContact OE1-NH2 3.72Å; E296-R299 PolarHBondContact OE1-NH2 2.81Å; E296-R299 IonicContact OE2-CZ 3.94Å; E296-R299 IonicContact OE2-NE 3.56Å; E296-R299 PolarHBondContact OE2-NE 2.74Å; E296-R299 IonicContact OE2-NH2 3.55Å; E296-R299 PolarHBondContact OE2-NH2 2.83Å; E296-L300 HydrophobicContact CG-CD1 4.03Å; E296-L300 HydrophobicContact CG-CG 4.34Å; E296-L300 WeakPolarHBondContact O-CB 3.46Å; E296-L300 VanDerWaalsContact O-CG 3.27Å; E296-L300 WeakPolarHBondContact O-CG 3.02Å; E296-L300 PolarHBondContact O-N 2.71Å
297	A	94	Very high	94.2	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-41.5	175.9	0	0	0	0	0	111.3	K249 I251 T292 T293 S294 L300 M301	K249-A297 HydrophobicContact CB-CB 3.66Å; K249-A297 HydrophobicContact CD-CB 4.06Å; K249-A297 HydrophobicContact CG-CB 4.39Å; I251-A297 HydrophobicContact CD1-CB 4.31Å; I251-A297 HydrophobicContact CG1-CB 4.27Å; T292-A297 HydrophobicContact CG2-CB 3.74Å; T293-A297 VanDerWaalsContact O-CB 3.29Å; T293-A297 WeakPolarHBondContact O-CB 2.99Å; T293-A297 PolarHBondContact O-N 3.12Å; S294-A297 PolarHBondContact O-N 2.84Å; A297-L300 PolarHBondContact O-N 2.76Å; A297-M301 WeakPolarHBondContact O-CB 2.93Å; A297-M301 WeakPolarHBondContact O-CG 3.09Å; A297-M301 PolarHBondContact O-N 2.94Å
298	D	95	Very high	94.3	Very high	71 Å²	71	51 Å²	51	38%	0.38	26%	0.256	S	S	.	.	H	α-helix	trans	-66.6	-38.7	176.7	-68.6	-30.7	0	0	0	111.6	K249 S294 Y295 E296 N302	K249-D298 IonicContact NZ-OD1 2.7Å; K249-D298 PolarHBondContact NZ-OD1 2.89Å; K249-D298 IonicContact NZ-OD2 3.83Å; K249-D298 PolarHBondContact NZ-OD2 3.18Å; S294-D298 WeakPolarHBondContact O-CB 3.06Å; S294-D298 PolarHBondContact O-N 2.8Å; S294-D298 VanDerWaalsContact O-OD2 3.07Å; Y295-D298 PolarHBondContact O-N 3.49Å; E296-D298 VanDerWaalsContact C-N 3.31Å; E296-D298 PolarHBondContact O-N 2.69Å; D298-N302 VanDerWaalsContact O-CG 3.29Å; D298-N302 PolarHBondContact O-N 3.23Å; D298-N302 PolarHBondContact O-ND2 3.31Å; D298-N302 VanDerWaalsContact O-ND2 3.07Å
299	R	96.6	Very high	94.3	Very high	77 Å²	77	51.5 Å²	51.5	29%	0.291	26%	0.259	S	S	.	.	H	α-helix	trans	-60.8	-52.6	172.5	-171	-171.3	67.3	78.6	3.8	111.3	Y295 E296 M301 N302 L303 E311	Y295-R299 PolarHBondContact O-N 2.91Å; E296-R299 VanDerWaalsContact CD-NH2 3.26Å; E296-R299 PolarHBondContact O-N 3.21Å; E296-R299 IonicContact OE1-CZ 2.9Å; E296-R299 IonicContact OE1-NE 3.38Å; E296-R299 IonicContact OE1-NH2 3.72Å; E296-R299 PolarHBondContact OE1-NH2 2.81Å; E296-R299 IonicContact OE2-CZ 3.94Å; E296-R299 IonicContact OE2-NE 3.56Å; E296-R299 PolarHBondContact OE2-NE 2.74Å; E296-R299 IonicContact OE2-NH2 3.55Å; E296-R299 PolarHBondContact OE2-NH2 2.83Å; R299-M301 VanDerWaalsContact C-N 3.3Å; R299-M301 PolarHBondContact O-N 3.44Å; R299-N302 PolarHBondContact O-N 2.83Å; R299-N302 VanDerWaalsContact O-N 3.09Å; R299-L303 PolarHBondContact O-N 2.63Å; R299-E311 IonicContact CZ-OE1 3.18Å; R299-E311 IonicContact CZ-OE2 2.97Å; R299-E311 IonicContact NH1-OE1 2.87Å; R299-E311 IonicContact NH1-OE2 3.19Å; R299-E311 PolarHBondContact NH1-OE2 3.19Å; R299-E311 IonicContact NH2-OE1 2.66Å; R299-E311 PolarHBondContact NH2-OE1 2.77Å; R299-E311 IonicContact NH2-OE2 3.46Å; R299-E311 PolarHBondContact NH2-OE2 2.84Å
300	L	95.7	Very high	94.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-37.2	-179.7	-72.6	171.6	0	0	0	112.2	I251 W290 T292 E296 A297 N302 L303 F308 E311	I251-L300 HydrophobicContact CD1-CB 3.54Å; I251-L300 HydrophobicContact CD1-CD1 3.82Å; I251-L300 HydrophobicContact CD1-CG 4.36Å; W290-L300 HydrophobicContact CD2-CD1 4.05Å; W290-L300 HydrophobicContact CE3-CD1 4.11Å; W290-L300 HydrophobicContact CH2-CD1 3.8Å; W290-L300 HydrophobicContact CH2-CD2 3.9Å; W290-L300 HydrophobicContact CZ2-CD1 3.73Å; W290-L300 HydrophobicContact CZ3-CD1 3.98Å; W290-L300 HydrophobicContact CZ3-CD2 4.14Å; T292-L300 HydrophobicContact CG2-CD1 4.12Å; E296-L300 HydrophobicContact CG-CD1 4.03Å; E296-L300 HydrophobicContact CG-CG 4.34Å; E296-L300 WeakPolarHBondContact O-CB 3.46Å; E296-L300 VanDerWaalsContact O-CG 3.27Å; E296-L300 WeakPolarHBondContact O-CG 3.02Å; E296-L300 PolarHBondContact O-N 2.71Å; A297-L300 PolarHBondContact O-N 2.76Å; L300-N302 VanDerWaalsContact C-N 3.27Å; L300-N302 PolarHBondContact O-N 3.41Å; L300-L303 HydrophobicContact CD2-CD1 3.89Å; L300-L303 PolarHBondContact O-N 2.9Å; L300-F308 HydrophobicContact CB-CD2 4.23Å; L300-F308 HydrophobicContact CB-CE2 4.23Å; L300-F308 HydrophobicContact CD2-CD2 4.3Å; L300-E311 HydrophobicContact CD2-CG 4.42Å
301	M	95.5	Very high	94.4	Very high	51 Å²	51	58.5 Å²	58.5	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-64.2	-32.8	176.1	-77.8	-64.5	-62.8	0	0	112.7	I251 A297 R299 R374 C376	I251-M301 HydrophobicContact CD1-CG 4.31Å; I251-M301 HydrophobicContact CG1-CG 4.32Å; I251-M301 HydrophobicContact CG1-SD 4.33Å; I251-M301 HydrophobicContact CG2-SD 4Å; A297-M301 WeakPolarHBondContact O-CB 2.93Å; A297-M301 WeakPolarHBondContact O-CG 3.09Å; A297-M301 PolarHBondContact O-N 2.94Å; R299-M301 VanDerWaalsContact C-N 3.3Å; R299-M301 PolarHBondContact O-N 3.44Å; M301-R374 HydrophobicContact CE-CB 4.11Å; M301-R374 PolarHBondContact O-NH2 3.08Å; M301-R374 HydrophobicContact SD-CB 3.79Å; M301-C376 HydrophobicContact CE-CB 4.26Å; M301-C376 HydrophobicContact CG-CB 3.95Å; M301-C376 HydrophobicContact SD-CB 3.94Å
302	N	95.8	Very high	94.5	Very high	142 Å²	142	58.1 Å²	58.1	76%	0.759	29%	0.287	S	S	*	.	H	α-helix	trans	-83.5	-9.2	179.6	-70.1	-30	0	0	0	114.3	D298 R299 L300	D298-N302 VanDerWaalsContact O-CG 3.29Å; D298-N302 PolarHBondContact O-N 3.23Å; D298-N302 PolarHBondContact O-ND2 3.31Å; D298-N302 VanDerWaalsContact O-ND2 3.07Å; R299-N302 PolarHBondContact O-N 2.83Å; R299-N302 VanDerWaalsContact O-N 3.09Å; L300-N302 VanDerWaalsContact C-N 3.27Å; L300-N302 PolarHBondContact O-N 3.41Å
303	L	95.4	Very high	94.7	Very high	42 Å²	42	59.6 Å²	59.6	22%	0.22	30%	0.295	C	S	.	.	S	Bend	trans	-68.7	158.4	176	-68.1	-180	0	0	0	112	R299 L300 D307 F308 E311 R374	R299-L303 PolarHBondContact O-N 2.63Å; L300-L303 HydrophobicContact CD2-CD1 3.89Å; L300-L303 PolarHBondContact O-N 2.9Å; L303-D307 HydrophobicContact CB-CB 4.46Å; L303-F308 HydrophobicContact CB-CB 4.35Å; L303-E311 WeakPolarHBondContact CD1-OE2 3.3Å; L303-R374 PolarHBondContact O-NH2 3.36Å
304	K	95.6	Very high	94.8	Very high	153 Å²	153	60.8 Å²	60.8	67%	0.665	30%	0.301	S	S	*	.			trans	-69.1	156.2	165.2	-63.2	177.3	-177.5	173.3	0	109.9	S306 D307 F308	K304-S306 VanDerWaalsContact C-N 3.3Å; K304-S306 PolarHBondContact O-N 3.47Å; K304-D307 PolarHBondContact O-N 3.47Å; K304-F308 WeakPolarHBondContact O-CB 3.43Å; K304-F308 PolarHBondContact O-N 3.04Å
305	D	95.2	Very high	94.7	Very high	86 Å²	86	60.7 Å²	60.7	46%	0.46	30%	0.299	S	S	.	.	H	α-helix	trans	-60.3	-38.1	-178.1	-67.9	-9.9	0	0	0	112.9	I309 I368 R374	D305-I309 VanDerWaalsContact O-CG1 3.26Å; D305-I309 WeakPolarHBondContact O-CG1 3.2Å; D305-I309 PolarHBondContact O-N 2.91Å; D305-I309 VanDerWaalsContact O-N 3.09Å; D305-I368 HydrophobicContact CB-CD1 4.07Å; D305-R374 IonicContact OD1-CZ 2.63Å; D305-R374 IonicContact OD1-NH1 2.82Å; D305-R374 PolarHBondContact OD1-NH1 2.87Å; D305-R374 IonicContact OD1-NH2 2.74Å
306	S	94.4	Very high	94.5	Very high	76 Å²	76	52.4 Å²	52.4	53%	0.531	27%	0.267	S	S	.	.	H	α-helix	trans	-58.8	-48.2	174.3	52.8	0	0	0	0	112.4	K304 I309 Q310	K304-S306 VanDerWaalsContact C-N 3.3Å; K304-S306 PolarHBondContact O-N 3.47Å; S306-I309 PolarHBondContact O-N 3.4Å; S306-Q310 PolarHBondContact O-N 3.5Å
307	D	96	Very high	94.1	Very high	69 Å²	69	54 Å²	54	37%	0.369	28%	0.28	S	S	.	.	H	α-helix	trans	-71.4	-37.8	-173	-51.5	-18.1	0	0	0	110	L303 K304 Q310 E311	L303-D307 HydrophobicContact CB-CB 4.46Å; K304-D307 PolarHBondContact O-N 3.47Å; D307-Q310 PolarHBondContact O-N 3.33Å; D307-E311 WeakPolarHBondContact O-CB 3.4Å; D307-E311 PolarHBondContact O-N 3.31Å
308	F	96.6	Very high	93.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-43.5	173.3	175.8	-94.6	0	0	0	112.6	I251 L288 W290 L300 L303 K304 E311 L312 I368 R374	I251-F308 HydrophobicContact CD1-CE2 4.29Å; I251-F308 HydrophobicContact CG2-CE2 4.35Å; I251-F308 HydrophobicContact CG2-CZ 4.2Å; L288-F308 HydrophobicContact CD2-CE1 3.98Å; L288-F308 HydrophobicContact CD2-CZ 3.64Å; W290-F308 AromaticContact CE3-CE2 3.95Å; W290-F308 HydrophobicContact CE3-CE2 3.95Å; W290-F308 HydrophobicContact CE3-CZ 4.01Å; W290-F308 AromaticContact CZ3-CE2 3.97Å; W290-F308 HydrophobicContact CZ3-CE2 3.97Å; W290-F308 HydrophobicContact CZ3-CZ 4.26Å; L300-F308 HydrophobicContact CB-CD2 4.23Å; L300-F308 HydrophobicContact CB-CE2 4.23Å; L300-F308 HydrophobicContact CD2-CD2 4.3Å; L303-F308 HydrophobicContact CB-CB 4.35Å; K304-F308 WeakPolarHBondContact O-CB 3.43Å; K304-F308 PolarHBondContact O-N 3.04Å; F308-E311 PolarHBondContact O-N 3.5Å; F308-L312 WeakPolarHBondContact O-CB 3.45Å; F308-L312 PolarHBondContact O-N 2.92Å; F308-I368 HydrophobicContact CD1-CD1 3.98Å; F308-I368 HydrophobicContact CE1-CD1 4.35Å; F308-R374 VanDerWaalsContact CG-NH1 3.33Å
309	I	96.3	Very high	91.9	Very high	11 Å²	11	61.4 Å²	61.4	6%	0.056	32%	0.32	C	S	.	.	H	α-helix	trans	-68.2	-40.7	178.6	-67.9	-59.7	0	0	0	111.2	L255 D305 S306 E311 L312 N313 V365 I368	L255-I309 HydrophobicContact CD2-CD1 3.81Å; D305-I309 VanDerWaalsContact O-CG1 3.26Å; D305-I309 WeakPolarHBondContact O-CG1 3.2Å; D305-I309 PolarHBondContact O-N 2.91Å; D305-I309 VanDerWaalsContact O-N 3.09Å; S306-I309 PolarHBondContact O-N 3.4Å; I309-E311 VanDerWaalsContact C-N 3.32Å; I309-E311 PolarHBondContact O-N 3.12Å; I309-L312 HydrophobicContact CD1-CD2 4.46Å; I309-L312 PolarHBondContact O-N 2.84Å; I309-N313 WeakPolarHBondContact O-CB 3.35Å; I309-N313 PolarHBondContact O-N 3.15Å; I309-N313 PolarHBondContact O-ND2 2.89Å; I309-V365 HydrophobicContact CD1-CG1 3.73Å; I309-V365 HydrophobicContact CG2-CB 4.42Å; I309-V365 HydrophobicContact CG2-CG1 4.3Å; I309-V365 VanDerWaalsContact CG2-O 3.3Å; I309-V365 WeakPolarHBondContact CG2-O 3.47Å; I309-I368 HydrophobicContact CD1-CG1 3.79Å; I309-I368 HydrophobicContact CG1-CG1 4.15Å
310	Q	95	Very high	89.9	Confident	125 Å²	125	60.5 Å²	60.5	58%	0.584	33%	0.325	S	S	*	.	H	α-helix	trans	-58.7	-47.1	174.4	-177.5	177.3	-9.6	0	0	110.9	S306 D307 N313 D314	S306-Q310 PolarHBondContact O-N 3.5Å; D307-Q310 PolarHBondContact O-N 3.33Å; Q310-N313 PolarHBondContact O-N 3.39Å; Q310-D314 WeakPolarHBondContact O-CB 3.38Å; Q310-D314 PolarHBondContact O-N 3.49Å
311	E	94.9	Very high	87.7	Confident	47 Å²	47	69.2 Å²	69.2	22%	0.22	37%	0.366	C	S	.	.	H	α-helix	trans	-67.4	-37.1	179.3	-167.1	168.7	173.8	0	0	112.5	W290 R299 L300 L303 D307 F308 I309 D314 C315	W290-E311 HydrophobicContact CH2-CG 4.35Å; R299-E311 IonicContact CZ-OE1 3.18Å; R299-E311 IonicContact CZ-OE2 2.97Å; R299-E311 IonicContact NH1-OE1 2.87Å; R299-E311 IonicContact NH1-OE2 3.19Å; R299-E311 PolarHBondContact NH1-OE2 3.19Å; R299-E311 IonicContact NH2-OE1 2.66Å; R299-E311 PolarHBondContact NH2-OE1 2.77Å; R299-E311 IonicContact NH2-OE2 3.46Å; R299-E311 PolarHBondContact NH2-OE2 2.84Å; L300-E311 HydrophobicContact CD2-CG 4.42Å; L303-E311 WeakPolarHBondContact CD1-OE2 3.3Å; D307-E311 WeakPolarHBondContact O-CB 3.4Å; D307-E311 PolarHBondContact O-N 3.31Å; F308-E311 PolarHBondContact O-N 3.5Å; I309-E311 VanDerWaalsContact C-N 3.32Å; I309-E311 PolarHBondContact O-N 3.12Å; E311-D314 WeakPolarHBondContact O-CB 3.19Å; E311-D314 PolarHBondContact O-N 3.16Å; E311-C315 WeakPolarHBondContact O-CB 3.34Å; E311-C315 PolarHBondContact O-N 3.42Å; E311-C315 PolarHBondContact O-SG 3.03Å; E311-C315 VanDerWaalsContact O-SG 3.38Å
312	L	95.1	Very high	85.1	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-60.7	-48.3	173	176.2	62.8	0	0	0	111.6	L255 I276 L288 W290 F308 I309 D314 C315 L316 V365	L255-L312 HydrophobicContact CD1-CD2 3.4Å; L255-L312 HydrophobicContact CD2-CD2 4.48Å; I276-L312 HydrophobicContact CD1-CD1 4.08Å; I276-L312 HydrophobicContact CG2-CD1 4.05Å; L288-L312 HydrophobicContact CD1-CD1 3.89Å; L288-L312 HydrophobicContact CD1-CD2 4.27Å; L288-L312 HydrophobicContact CD2-CD2 4.19Å; W290-L312 HydrophobicContact CE3-CD1 3.88Å; W290-L312 HydrophobicContact CZ3-CB 3.96Å; W290-L312 HydrophobicContact CZ3-CD1 3.95Å; F308-L312 WeakPolarHBondContact O-CB 3.45Å; F308-L312 PolarHBondContact O-N 2.92Å; I309-L312 HydrophobicContact CD1-CD2 4.46Å; I309-L312 PolarHBondContact O-N 2.84Å; L312-D314 VanDerWaalsContact C-N 3.32Å; L312-D314 PolarHBondContact O-N 3Å; L312-C315 CarbonylContact O-C 3.15Å; L312-C315 WeakPolarHBondContact O-CB 3.43Å; L312-C315 PolarHBondContact O-N 3.32Å; L312-L316 HydrophobicContact CD1-CD1 4.15Å; L312-L316 HydrophobicContact CD1-CG 4.32Å; L312-L316 HydrophobicContact CG-CD1 4.01Å; L312-L316 VanDerWaalsContact O-CG 3.3Å; L312-L316 WeakPolarHBondContact O-CG 3.4Å; L312-L316 PolarHBondContact O-N 2.94Å; L312-V365 HydrophobicContact CD2-CB 4.48Å; L312-V365 HydrophobicContact CD2-CG2 4.11Å
313	N	94.4	Very high	82.5	Confident	31 Å²	31	71.8 Å²	71.8	17%	0.166	39%	0.386	C	S	.	.	H	α-helix	trans	-63.5	-39.3	178.2	-76	-29.2	0	0	0	111.5	I309 Q310 C315 L316 T317 V365	I309-N313 WeakPolarHBondContact O-CB 3.35Å; I309-N313 PolarHBondContact O-N 3.15Å; I309-N313 PolarHBondContact O-ND2 2.89Å; Q310-N313 PolarHBondContact O-N 3.39Å; N313-C315 VanDerWaalsContact C-N 3.35Å; N313-L316 PolarHBondContact O-N 3.38Å; N313-L316 VanDerWaalsContact O-N 3.16Å; N313-T317 WeakPolarHBondContact O-CB 3.39Å; N313-T317 WeakPolarHBondContact O-CG2 3.5Å; N313-T317 PolarHBondContact O-N 2.73Å; N313-T317 PolarHBondContact O-OG1 3.18Å; N313-V365 PolarHBondContact ND2-O 3.33Å; N313-V365 WeakPolarHBondContact OD1-CB 3.15Å; N313-V365 PolarHBondContact OD1-N 3.27Å
314	D	91.9	Very high	80	Confident	50 Å²	50	74.3 Å²	74.3	27%	0.267	41%	0.407	S	S	.	.	H	α-helix	trans	-59.2	-46.5	172.2	-81.7	-13.5	0	0	0	111.3	Q310 E311 L312 L316 T317 K318	Q310-D314 WeakPolarHBondContact O-CB 3.38Å; Q310-D314 PolarHBondContact O-N 3.49Å; E311-D314 WeakPolarHBondContact O-CB 3.19Å; E311-D314 PolarHBondContact O-N 3.16Å; L312-D314 VanDerWaalsContact C-N 3.32Å; L312-D314 PolarHBondContact O-N 3Å; D314-L316 VanDerWaalsContact C-N 3.25Å; D314-L316 PolarHBondContact O-N 3.2Å; D314-T317 PolarHBondContact O-N 2.88Å; D314-K318 HydrophobicContact CB-CD 3.96Å; D314-K318 HydrophobicContact CB-CG 4.49Å; D314-K318 VanDerWaalsContact O-CB 3.31Å; D314-K318 WeakPolarHBondContact O-CB 3.47Å; D314-K318 WeakPolarHBondContact O-CG 3.39Å; D314-K318 PolarHBondContact O-N 2.96Å; D314-K318 WeakPolarHBondContact OD1-CE 3.42Å; D314-K318 IonicContact OD1-NZ 2.91Å; D314-K318 PolarHBondContact OD1-NZ 2.89Å; D314-K318 IonicContact OD2-NZ 3.32Å; D314-K318 PolarHBondContact OD2-NZ 3.07Å
315	C	89.9	Confident	77.8	Confident	30 Å²	30	75.8 Å²	75.8	20%	0.203	42%	0.417	C	S	.	.	H	α-helix	trans	-66.1	-24.3	175.9	-76.3	0	0	0	0	113.5	R269 L271 I276 W290 E311 L312 N313	R269-C315 WeakPolarHBondContact CD-O 3.3Å; R269-C315 PolarHBondContact NE-O 3.01Å; R269-C315 VanDerWaalsContact NE-O 3.09Å; R269-C315 PolarHBondContact NH1-O 3.15Å; L271-C315 HydrophobicContact CD1-CB 4.1Å; I276-C315 HydrophobicContact CD1-CB 3.72Å; W290-C315 HydrophobicContact CH2-CB 4.37Å; W290-C315 HydrophobicContact CZ2-CB 4.31Å; E311-C315 WeakPolarHBondContact O-CB 3.34Å; E311-C315 PolarHBondContact O-N 3.42Å; E311-C315 PolarHBondContact O-SG 3.03Å; E311-C315 VanDerWaalsContact O-SG 3.38Å; L312-C315 CarbonylContact O-C 3.15Å; L312-C315 WeakPolarHBondContact O-CB 3.43Å; L312-C315 PolarHBondContact O-N 3.32Å; N313-C315 VanDerWaalsContact C-N 3.35Å
316	L	88.9	Confident	75.5	Confident	2 Å²	2	73.4 Å²	73.4	1%	0.01	40%	0.404	C	S	.	.	H	α-helix	trans	-83.9	-28.9	175.8	-71.5	168.4	0	0	0	112.5	W139 R269 I276 L278 L312 N313 D314 V365	W139-L316 HydrophobicContact CH2-CD2 4.24Å; W139-L316 HydrophobicContact CZ2-CD2 4.11Å; R269-L316 PolarHBondContact NH1-O 3.4Å; I276-L316 HydrophobicContact CG2-CD2 4.11Å; L278-L316 HydrophobicContact CD1-CD1 3.91Å; L278-L316 HydrophobicContact CD1-CD2 4.13Å; L312-L316 HydrophobicContact CD1-CD1 4.15Å; L312-L316 HydrophobicContact CD1-CG 4.32Å; L312-L316 HydrophobicContact CG-CD1 4.01Å; L312-L316 VanDerWaalsContact O-CG 3.3Å; L312-L316 WeakPolarHBondContact O-CG 3.4Å; L312-L316 PolarHBondContact O-N 2.94Å; N313-L316 PolarHBondContact O-N 3.38Å; N313-L316 VanDerWaalsContact O-N 3.16Å; D314-L316 VanDerWaalsContact C-N 3.25Å; D314-L316 PolarHBondContact O-N 3.2Å; L316-V365 HydrophobicContact CD1-CG2 4.36Å
317	T	84.6	Confident	73.4	Confident	72 Å²	72	72 Å²	72	44%	0.442	40%	0.4	S	S	.	.	H	α-helix	trans	-107.7	-41.2	-171.2	57.6	0	0	0	0	115.4	N313 D314	N313-T317 WeakPolarHBondContact O-CB 3.39Å; N313-T317 WeakPolarHBondContact O-CG2 3.5Å; N313-T317 PolarHBondContact O-N 2.73Å; N313-T317 PolarHBondContact O-OG1 3.18Å; D314-T317 PolarHBondContact O-N 2.88Å
318	K	75.9	Confident	71.5	Confident	115 Å²	115	72.4 Å²	72.4	50%	0.5	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-69	132.3	-171.4	-70	177.2	176.9	166.8	0	111.8	R269 D314	R269-K318 PolarHBondContact NH1-O 3.48Å; R269-K318 PolarHBondContact NH2-O 2.88Å; D314-K318 HydrophobicContact CB-CD 3.96Å; D314-K318 HydrophobicContact CB-CG 4.49Å; D314-K318 VanDerWaalsContact O-CB 3.31Å; D314-K318 WeakPolarHBondContact O-CB 3.47Å; D314-K318 WeakPolarHBondContact O-CG 3.39Å; D314-K318 PolarHBondContact O-N 2.96Å; D314-K318 WeakPolarHBondContact OD1-CE 3.42Å; D314-K318 IonicContact OD1-NZ 2.91Å; D314-K318 PolarHBondContact OD1-NZ 2.89Å; D314-K318 IonicContact OD2-NZ 3.32Å; D314-K318 PolarHBondContact OD2-NZ 3.07Å
319	P	66.6	Low	69.6	Low	111 Å²	111	73.5 Å²	73.5	72%	0.721	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-69.1	136.3	163	27.6	-30	0	0	0	109.4
320	S	53.9	Low	67.7	Low	58 Å²	58	73.3 Å²	73.3	41%	0.406	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-81.4	151.7	172.3	-177.9	0	0	0	0	110.4	T141 S322	T141-S320 PolarHBondContact O-N 3.47Å; S320-S322 PolarHBondContact O-N 3.04Å
321	E	50.5	Low	66.3	Low	183 Å²	183	69.6 Å²	69.6	86%	0.855	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-53.9	134.9	174.7	-62.8	-170.2	172.4	0	0	112.2
322	S	40.4	Very low	64.9	Low	107 Å²	107	70 Å²	70	75%	0.748	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-67.3	132.5	-164	177.4	0	0	0	0	113.8	S320	S320-S322 PolarHBondContact O-N 3.04Å
323	M	41.4	Very low	63.4	Low	139 Å²	139	70 Å²	70	69%	0.685	40%	0.403	S	S	*	.			trans	-125	112.4	154	-166.9	69.8	70.4	0	0	107.5	Q325 I326	M323-Q325 PolarHBondContact O-N 2.99Å; M323-I326 VanDerWaalsContact O-CD1 3.24Å; M323-I326 WeakPolarHBondContact O-CD1 3.45Å
324	S	42.4	Very low	62	Low	95 Å²	95	68.9 Å²	68.9	66%	0.664	40%	0.398	S	S	*	.	S	Bend	trans	-73.3	114.1	-172.5	54.3	0	0	0	0	112.3
325	Q	48.3	Very low	60.9	Low	184 Å²	184	71.7 Å²	71.7	86%	0.86	41%	0.41	S	S	*	.			trans	159.5	39.1	151.8	-88	177.1	16.7	0	0	113.6	M323	M323-Q325 PolarHBondContact O-N 2.99Å
326	I	48.4	Very low	59.8	Low	37 Å²	37	71.9 Å²	71.9	19%	0.19	41%	0.411	C	S	.	.			trans	-117.4	-7.2	-156.9	-62.2	173	0	0	0	116.2	K142 M323 T328 V329	K142-I326 HydrophobicContact CB-CD1 4.4Å; K142-I326 HydrophobicContact CD-CD1 3.41Å; K142-I326 VanDerWaalsContact CD-CD1 3.41Å; M323-I326 VanDerWaalsContact O-CD1 3.24Å; M323-I326 WeakPolarHBondContact O-CD1 3.45Å; I326-T328 PolarHBondContact O-N 3.18Å; I326-V329 HydrophobicContact CG2-CB 3.97Å; I326-V329 HydrophobicContact CG2-CG2 4.2Å; I326-V329 PolarHBondContact O-N 3Å
327	G	50.1	Low	58.7	Low	45 Å²	45	72 Å²	72	46%	0.464	41%	0.412	S	S	.	.	H	α-helix	trans	-51.7	-32.6	177.8	0	0	0	0	0	114	S331	G327-S331 PolarHBondContact O-N 2.94Å
328	T	55.9	Low	57.9	Low	79 Å²	79	69.4 Å²	69.4	49%	0.485	40%	0.398	S	S	.	.	H	α-helix	trans	-70	-31.8	175.9	-45.7	0	0	0	0	114	I326 S331 N332	I326-T328 PolarHBondContact O-N 3.18Å; T328-S331 PolarHBondContact O-OG 3.39Å; T328-N332 WeakPolarHBondContact O-CB 3.45Å; T328-N332 PolarHBondContact O-N 3.47Å; T328-N332 VanDerWaalsContact O-N 3.1Å; T328-N332 PolarHBondContact O-ND2 3.27Å; T328-N332 PolarHBondContact O-OD1 3.36Å
329	V	56.6	Low	57.5	Low	22 Å²	22	65.9 Å²	65.9	13%	0.133	39%	0.394	C	S	.	.	H	α-helix	trans	-68.4	-42.1	179.9	179.6	0	0	0	0	109.8	I326 N332 V333 L464 M502	I326-V329 HydrophobicContact CG2-CB 3.97Å; I326-V329 HydrophobicContact CG2-CG2 4.2Å; I326-V329 PolarHBondContact O-N 3Å; V329-N332 PolarHBondContact O-N 3.21Å; V329-V333 HydrophobicContact CG1-CG2 4.18Å; V329-V333 WeakPolarHBondContact O-CB 3.38Å; V329-V333 WeakPolarHBondContact O-CG2 3.3Å; V329-V333 PolarHBondContact O-N 3.21Å; V329-L464 HydrophobicContact CG1-CB 4.39Å; V329-M502 HydrophobicContact CG2-CE 4.16Å
330	L	56.9	Low	57.5	Low	8 Å²	8	60.9 Å²	60.9	4%	0.042	36%	0.361	C	S	.	.	H	α-helix	trans	-66.9	-41.4	178.1	-86.6	159.4	0	0	0	113.7	E140 S143 L145 N332 G334 Y465	E140-L330 HydrophobicContact CB-CD1 4.1Å; E140-L330 HydrophobicContact CB-CD2 3.82Å; E140-L330 HydrophobicContact CB-CG 4.32Å; E140-L330 VanDerWaalsContact OE2-CD1 3.26Å; E140-L330 WeakPolarHBondContact OE2-CD1 3.49Å; E140-L330 WeakPolarHBondContact OE2-CG 3.1Å; S143-L330 WeakPolarHBondContact OG-CD1 3.45Å; L145-L330 HydrophobicContact CB-CD1 4.24Å; L145-L330 HydrophobicContact CD1-CD1 4.4Å; L330-N332 VanDerWaalsContact C-N 3.3Å; L330-N332 PolarHBondContact O-N 3.46Å; L330-G334 WeakPolarHBondContact O-CA 3.33Å; L330-G334 PolarHBondContact O-N 2.93Å; L330-Y465 WeakPolarHBondContact CD2-OH 3.43Å
331	S	65.3	Low	58.1	Low	46 Å²	46	59.4 Å²	59.4	32%	0.322	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-42.9	174.1	60.9	0	0	0	0	110.7	G327 T328 G334 Q335	G327-S331 PolarHBondContact O-N 2.94Å; T328-S331 PolarHBondContact O-OG 3.39Å; S331-G334 PolarHBondContact O-N 3.23Å; S331-Q335 WeakPolarHBondContact O-CB 3.31Å; S331-Q335 WeakPolarHBondContact O-CG 3.4Å; S331-Q335 PolarHBondContact O-N 3.08Å
332	N	65	Low	58.9	Low	56 Å²	56	54 Å²	54	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-67.3	-43.9	179.9	-67.4	-8.1	0	0	0	111.9	T328 V329 L330 G334 Q335 C336	T328-N332 WeakPolarHBondContact O-CB 3.45Å; T328-N332 PolarHBondContact O-N 3.47Å; T328-N332 VanDerWaalsContact O-N 3.1Å; T328-N332 PolarHBondContact O-ND2 3.27Å; T328-N332 PolarHBondContact O-OD1 3.36Å; V329-N332 PolarHBondContact O-N 3.21Å; L330-N332 VanDerWaalsContact C-N 3.3Å; L330-N332 PolarHBondContact O-N 3.46Å; N332-G334 VanDerWaalsContact C-N 3.31Å; N332-Q335 PolarHBondContact O-N 2.86Å; N332-C336 WeakPolarHBondContact O-CB 3.39Å; N332-C336 PolarHBondContact O-N 3.4Å; N332-C336 PolarHBondContact O-SG 3.11Å
333	V	63.1	Low	60	Low	1 Å²	1	54.4 Å²	54.4	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-45.8	173.3	165	0	0	0	0	109.8	V329 Q335 C336 F337 I461 L464 Y465	V329-V333 HydrophobicContact CG1-CG2 4.18Å; V329-V333 WeakPolarHBondContact O-CB 3.38Å; V329-V333 WeakPolarHBondContact O-CG2 3.3Å; V329-V333 PolarHBondContact O-N 3.21Å; V333-Q335 VanDerWaalsContact C-N 3.28Å; V333-Q335 PolarHBondContact O-N 2.87Å; V333-C336 CarbonylContact O-C 3.59Å; V333-C336 PolarHBondContact O-N 2.91Å; V333-C336 VanDerWaalsContact O-N 3.16Å; V333-F337 VanDerWaalsContact O-CB 3.24Å; V333-F337 WeakPolarHBondContact O-CB 3.41Å; V333-F337 PolarHBondContact O-N 3.38Å; V333-I461 HydrophobicContact CG1-CG2 4.25Å; V333-L464 HydrophobicContact CG2-CB 4.34Å; V333-L464 HydrophobicContact CG2-CD1 3.97Å; V333-Y465 HydrophobicContact CB-CE2 3.82Å; V333-Y465 HydrophobicContact CG1-CE2 3.41Å; V333-Y465 VanDerWaalsContact CG1-CE2 3.41Å; V333-Y465 WeakPolarHBondContact CG1-OH 3.26Å; V333-Y465 HydrophobicContact CG2-CD2 4.12Å; V333-Y465 HydrophobicContact CG2-CE2 3.26Å
334	G	65.8	Low	60.9	Low	6 Å²	6	49 Å²	49	6%	0.062	29%	0.285	C	S	.	.	H	α-helix	trans	-58.3	-44.1	180	0	0	0	0	0	111.7	L330 S331 N332 A338	L330-G334 WeakPolarHBondContact O-CA 3.33Å; L330-G334 PolarHBondContact O-N 2.93Å; S331-G334 PolarHBondContact O-N 3.23Å; N332-G334 VanDerWaalsContact C-N 3.31Å; G334-A338 WeakPolarHBondContact O-CB 3.23Å; G334-A338 PolarHBondContact O-N 3.32Å
335	Q	68	Low	61.5	Low	109 Å²	109	44.8 Å²	44.8	51%	0.509	26%	0.257	S	S	.	.	H	α-helix	trans	-65	-44.1	173.3	-72.6	172	-11.1	0	0	112.3	S331 N332 V333 G339	S331-Q335 WeakPolarHBondContact O-CB 3.31Å; S331-Q335 WeakPolarHBondContact O-CG 3.4Å; S331-Q335 PolarHBondContact O-N 3.08Å; N332-Q335 PolarHBondContact O-N 2.86Å; V333-Q335 VanDerWaalsContact C-N 3.28Å; V333-Q335 PolarHBondContact O-N 2.87Å; Q335-G339 PolarHBondContact O-N 3.01Å
336	C	67	Low	61.4	Low	35 Å²	35	42.8 Å²	42.8	24%	0.236	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-43.7	176.8	-73	0	0	0	0	112	N332 V333 G339 V340 T457 I461	N332-C336 WeakPolarHBondContact O-CB 3.39Å; N332-C336 PolarHBondContact O-N 3.4Å; N332-C336 PolarHBondContact O-SG 3.11Å; V333-C336 CarbonylContact O-C 3.59Å; V333-C336 PolarHBondContact O-N 2.91Å; V333-C336 VanDerWaalsContact O-N 3.16Å; C336-G339 PolarHBondContact O-N 2.82Å; C336-V340 WeakPolarHBondContact O-CG2 3.4Å; C336-V340 PolarHBondContact O-N 2.87Å; C336-T457 HydrophobicContact CB-CG2 3.84Å; C336-I461 HydrophobicContact CB-CD1 3.9Å; C336-I461 HydrophobicContact CB-CG1 3.94Å
337	F	65.8	Low	61.5	Low	5 Å²	5	49.6 Å²	49.6	2%	0.022	28%	0.284	C	S	.	.	H	α-helix	trans	-67.7	-46.4	177.9	-167.9	-89.2	0	0	0	109.9	M136 V138 F149 V333 G339 V340 V341 A406 I461	M136-F337 HydrophobicContact CE-CE1 4.17Å; M136-F337 HydrophobicContact CE-CZ 3.6Å; M136-F337 HydrophobicContact SD-CE1 4.03Å; M136-F337 HydrophobicContact SD-CZ 3.94Å; V138-F337 HydrophobicContact CG2-CE1 4.42Å; F149-F337 HydrophobicContact CD2-CD1 4.22Å; F149-F337 HydrophobicContact CD2-CE1 4.04Å; F149-F337 HydrophobicContact CE1-CD1 4.17Å; F149-F337 AromaticContact CE2-CD1 3.47Å; F149-F337 HydrophobicContact CE2-CD1 3.47Å; F149-F337 VanDerWaalsContact CE2-CD1 3.47Å; F149-F337 AromaticContact CE2-CE1 3.7Å; F149-F337 HydrophobicContact CE2-CE1 3.7Å; F149-F337 AromaticContact CZ-CD1 3.44Å; F149-F337 HydrophobicContact CZ-CD1 3.44Å; F149-F337 VanDerWaalsContact CZ-CD1 3.44Å; F149-F337 HydrophobicContact CZ-CE1 4.1Å; F149-F337 HydrophobicContact CZ-CG 4.41Å; V333-F337 VanDerWaalsContact O-CB 3.24Å; V333-F337 WeakPolarHBondContact O-CB 3.41Å; V333-F337 PolarHBondContact O-N 3.38Å; F337-G339 VanDerWaalsContact C-N 3.29Å; F337-G339 PolarHBondContact O-N 3.23Å; F337-V340 WeakPolarHBondContact O-CA 3.36Å; F337-V340 WeakPolarHBondContact O-CB 3.5Å; F337-V340 PolarHBondContact O-N 3.44Å; F337-V341 HydrophobicContact CD1-CG2 3.6Å; F337-V341 HydrophobicContact CE1-CG2 3.33Å; F337-V341 HydrophobicContact CG-CG2 4.39Å; F337-V341 HydrophobicContact CZ-CG2 3.9Å; F337-V341 WeakPolarHBondContact O-CG2 3.46Å; F337-V341 PolarHBondContact O-N 3.44Å; F337-A406 HydrophobicContact CE2-CB 4.49Å; F337-I461 HydrophobicContact CB-CD1 4.28Å; F337-I461 HydrophobicContact CD2-CD1 4.46Å
338	A	67.7	Low	61.6	Low	17 Å²	17	48.5 Å²	48.5	14%	0.14	27%	0.267	C	S	.	.	H	α-helix	trans	-53.8	-47.4	172.1	0	0	0	0	0	110.7	F149 G334 V340 V341 D342	F149-A338 HydrophobicContact CE1-CB 3.97Å; G334-A338 WeakPolarHBondContact O-CB 3.23Å; G334-A338 PolarHBondContact O-N 3.32Å; A338-V340 VanDerWaalsContact C-N 3.34Å; A338-V340 PolarHBondContact O-N 3.45Å; A338-V341 PolarHBondContact O-N 2.9Å; A338-D342 WeakPolarHBondContact O-CB 3.19Å; A338-D342 PolarHBondContact O-N 3.29Å
339	G	69	Low	61.3	Low	41 Å²	41	52.9 Å²	52.9	42%	0.423	28%	0.279	S	S	.	.	H	α-helix	trans	-59.7	-40.3	175.4	0	0	0	0	0	113.1	Q335 C336 F337 Y343	Q335-G339 PolarHBondContact O-N 3.01Å; C336-G339 PolarHBondContact O-N 2.82Å; F337-G339 VanDerWaalsContact C-N 3.29Å; F337-G339 PolarHBondContact O-N 3.23Å; G339-Y343 VanDerWaalsContact O-CB 3.23Å; G339-Y343 WeakPolarHBondContact O-CB 3.41Å; G339-Y343 PolarHBondContact O-N 3.4Å
340	V	66.4	Low	61	Low	6 Å²	6	54.5 Å²	54.5	4%	0.036	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-46.1	174.9	163.5	0	0	0	0	112	C336 F337 A338 Y343 F344 A406 L454 T457 L458	C336-V340 WeakPolarHBondContact O-CG2 3.4Å; C336-V340 PolarHBondContact O-N 2.87Å; F337-V340 WeakPolarHBondContact O-CA 3.36Å; F337-V340 WeakPolarHBondContact O-CB 3.5Å; F337-V340 PolarHBondContact O-N 3.44Å; A338-V340 VanDerWaalsContact C-N 3.34Å; A338-V340 PolarHBondContact O-N 3.45Å; V340-Y343 WeakPolarHBondContact O-CB 3.48Å; V340-Y343 PolarHBondContact O-N 3.36Å; V340-F344 WeakPolarHBondContact O-CD2 3.37Å; V340-A406 HydrophobicContact CG1-CB 4.33Å; V340-L454 HydrophobicContact CB-CD1 4.11Å; V340-L454 HydrophobicContact CG1-CD1 3.36Å; V340-L454 HydrophobicContact CG2-CD1 3.78Å; V340-T457 HydrophobicContact CG2-CG2 3.42Å; V340-T457 VanDerWaalsContact CG2-CG2 3.42Å; V340-L458 HydrophobicContact CG1-CD2 4.19Å; V340-L458 HydrophobicContact CG2-CD2 4.45Å
341	V	66.3	Low	60.7	Low	26 Å²	26	57.8 Å²	57.8	16%	0.158	31%	0.312	C	S	.	.	H	α-helix	trans	-73.5	-37.9	-177.7	-165.2	0	0	0	0	110.7	F337 A338 Y343 F344 G345 I348	F337-V341 HydrophobicContact CD1-CG2 3.6Å; F337-V341 HydrophobicContact CE1-CG2 3.33Å; F337-V341 HydrophobicContact CG-CG2 4.39Å; F337-V341 HydrophobicContact CZ-CG2 3.9Å; F337-V341 WeakPolarHBondContact O-CG2 3.46Å; F337-V341 PolarHBondContact O-N 3.44Å; A338-V341 PolarHBondContact O-N 2.9Å; V341-Y343 VanDerWaalsContact C-N 3.29Å; V341-Y343 PolarHBondContact O-N 2.92Å; V341-F344 CarbonylContact O-C 3.54Å; V341-F344 PolarHBondContact O-N 3.48Å; V341-F344 VanDerWaalsContact O-N 3.12Å; V341-G345 PolarHBondContact O-N 3.45Å; V341-I348 HydrophobicContact CB-CD1 3.63Å; V341-I348 HydrophobicContact CG1-CD1 3.09Å
342	D	66.2	Low	59.8	Low	71 Å²	71	60.6 Å²	60.6	38%	0.38	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-35.5	174.1	-165.1	60.1	0	0	0	111.7	A338 F344 G345 Q347 I348	A338-D342 WeakPolarHBondContact O-CB 3.19Å; A338-D342 PolarHBondContact O-N 3.29Å; D342-F344 PolarHBondContact O-N 3Å; D342-G345 CarbonylContact C-O 3.07Å; D342-G345 VanDerWaalsContact CA-O 3.3Å; D342-G345 WeakPolarHBondContact CA-O 3.49Å; D342-G345 CarbonylContact O-C 3.51Å; D342-G345 PolarHBondContact O-N 3.33Å; D342-Q347 WeakPolarHBondContact OD1-CA 3.06Å; D342-Q347 PolarHBondContact OD1-N 3.42Å; D342-Q347 VanDerWaalsContact OD1-N 3.11Å; D342-I348 PolarHBondContact OD1-N 2.98Å
343	Y	63.4	Low	58.7	Low	114 Å²	114	63.2 Å²	63.2	45%	0.447	33%	0.334	S	S	.	.	H	α-helix	trans	-59.4	-34.4	173.3	-170.9	-84.1	0	0	0	112.9	G339 V340 V341 I450	G339-Y343 VanDerWaalsContact O-CB 3.23Å; G339-Y343 WeakPolarHBondContact O-CB 3.41Å; G339-Y343 PolarHBondContact O-N 3.4Å; V340-Y343 WeakPolarHBondContact O-CB 3.48Å; V340-Y343 PolarHBondContact O-N 3.36Å; V341-Y343 VanDerWaalsContact C-N 3.29Å; V341-Y343 PolarHBondContact O-N 2.92Å; Y343-I450 HydrophobicContact CE1-CB 4.23Å; Y343-I450 HydrophobicContact CE1-CG2 3.42Å; Y343-I450 VanDerWaalsContact CE1-CG2 3.42Å; Y343-I450 VanDerWaalsContact OH-CA 3.27Å; Y343-I450 WeakPolarHBondContact OH-CA 3.49Å; Y343-I450 WeakPolarHBondContact OH-CB 3.36Å; Y343-I450 WeakPolarHBondContact OH-CG1 3.27Å
344	F	61.7	Low	57.6	Low	25 Å²	25	68.2 Å²	68.2	11%	0.11	36%	0.357	C	S	.	.	H	α-helix	trans	-97	-2.3	177.3	-74.9	-76.1	0	0	0	114.4	V340 V341 D342 Q408 L412 I450 L454	V340-F344 WeakPolarHBondContact O-CD2 3.37Å; V341-F344 CarbonylContact O-C 3.54Å; V341-F344 PolarHBondContact O-N 3.48Å; V341-F344 VanDerWaalsContact O-N 3.12Å; D342-F344 PolarHBondContact O-N 3Å; F344-Q408 HydrophobicContact CD2-CG 4.46Å; F344-L412 HydrophobicContact CE1-CD2 3.61Å; F344-L412 HydrophobicContact CE2-CD2 4.31Å; F344-L412 HydrophobicContact CZ-CD2 3.29Å; F344-I450 HydrophobicContact CE1-CG2 4.5Å; F344-I450 HydrophobicContact CZ-CG2 4.19Å; F344-L454 HydrophobicContact CE2-CD1 3.83Å; F344-L454 HydrophobicContact CE2-CD2 3.4Å; F344-L454 HydrophobicContact CE2-CG 4.1Å; F344-L454 HydrophobicContact CZ-CD2 3.6Å
345	G	53.6	Low	56.1	Low	8 Å²	8	73.6 Å²	73.6	8%	0.082	39%	0.394	C	S	.	.	S	Bend	trans	-151.9	130.9	-177.3	0	0	0	0	0	111.8	V341 D342 Q347	V341-G345 PolarHBondContact O-N 3.45Å; D342-G345 CarbonylContact C-O 3.07Å; D342-G345 VanDerWaalsContact CA-O 3.3Å; D342-G345 WeakPolarHBondContact CA-O 3.49Å; D342-G345 CarbonylContact O-C 3.51Å; D342-G345 PolarHBondContact O-N 3.33Å; G345-Q347 PolarHBondContact O-N 3.22Å
346	N	47.5	Very low	54.5	Low	142 Å²	142	75 Å²	75	76%	0.759	40%	0.4	S	S	*	.	S	Bend	trans	-52.4	130.9	177.7	-69.7	-17.5	0	0	0	112.3	I348	N346-I348 PolarHBondContact O-N 3.1Å
347	Q	50.8	Low	53.2	Low	180 Å²	180	79.5 Å²	79.5	84%	0.841	43%	0.433	S	S	*	.			trans	24.1	81.9	172.1	-70.7	-147.1	-5.6	0	0	114.5	D342 G345 K349	D342-Q347 WeakPolarHBondContact OD1-CA 3.06Å; D342-Q347 PolarHBondContact OD1-N 3.42Å; D342-Q347 VanDerWaalsContact OD1-N 3.11Å; G345-Q347 PolarHBondContact O-N 3.22Å; Q347-K349 PolarHBondContact O-N 2.79Å
348	I	51.1	Low	52.2	Low	21 Å²	21	82.5 Å²	82.5	11%	0.108	45%	0.454	C	S	.	.			trans	-75.4	121.5	168.3	-63.7	176.6	0	0	0	108.5	F149 L154 V341 D342 N346 S350	F149-I348 HydrophobicContact CB-CG2 4.33Å; F149-I348 HydrophobicContact CD1-CG2 3.89Å; L154-I348 HydrophobicContact CD2-CD1 4.19Å; V341-I348 HydrophobicContact CB-CD1 3.63Å; V341-I348 HydrophobicContact CG1-CD1 3.09Å; D342-I348 PolarHBondContact OD1-N 2.98Å; N346-I348 PolarHBondContact O-N 3.1Å; I348-S350 VanDerWaalsContact C-N 3.34Å; I348-S350 PolarHBondContact O-N 3.48Å
349	K	51.2	Low	51.4	Low	172 Å²	172	86.8 Å²	86.8	75%	0.748	48%	0.483	S	S	*	.			trans	-69	95.3	165.9	-65	-177.4	-177.8	-177.9	0	107.6	Q347 T351	Q347-K349 PolarHBondContact O-N 2.79Å; K349-T351 VanDerWaalsContact C-N 3.35Å; K349-T351 PolarHBondContact O-N 3.46Å; K349-T351 VanDerWaalsContact O-N 3.1Å
350	S	50.3	Low	51.3	Low	55 Å²	55	87.6 Å²	87.6	39%	0.385	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	98.3	158.9	52.7	0	0	0	0	107.1	I348 E352	I348-S350 VanDerWaalsContact C-N 3.34Å; I348-S350 PolarHBondContact O-N 3.48Å; S350-E352 VanDerWaalsContact C-N 3.27Å; S350-E352 PolarHBondContact O-N 2.83Å
351	T	49.2	Very low	51.5	Low	77 Å²	77	90.4 Å²	90.4	47%	0.472	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	91.6	165.7	5.1	0	0	0	0	106.9	K349 N353	K349-T351 VanDerWaalsContact C-N 3.35Å; K349-T351 PolarHBondContact O-N 3.46Å; K349-T351 VanDerWaalsContact O-N 3.1Å; T351-N353 PolarHBondContact O-N 3.27Å
352	E	46.1	Very low	52.2	Low	106 Å²	106	91.1 Å²	91.1	50%	0.495	50%	0.499	S	S	.	.			trans	-65.1	128.2	166	-71.6	-175.4	171.9	0	0	108.3	S350	S350-E352 VanDerWaalsContact C-N 3.27Å; S350-E352 PolarHBondContact O-N 2.83Å
353	N	43.3	Very low	53.1	Low	111 Å²	111	88.2 Å²	88.2	59%	0.594	48%	0.484	S	S	*	.			trans	58.9	70.3	166.7	-54	-36.2	0	0	0	115.5	T351 S355	T351-N353 PolarHBondContact O-N 3.27Å; N353-S355 PolarHBondContact O-N 3.35Å
354	E	38.4	Very low	54.4	Low	106 Å²	106	84.7 Å²	84.7	50%	0.495	48%	0.477	S	S	.	.			trans	-67.7	86.3	139.2	-79.3	-175.6	-166.5	0	0	107	Y146 E356	Y146-E354 PolarHBondContact OH-O 3.45Å; E354-E356 HydrophobicContact CB-CB 4.42Å; E354-E356 PolarHBondContact O-N 2.96Å
355	S	35.2	Very low	55.9	Low	119 Å²	119	83.7 Å²	83.7	83%	0.832	47%	0.472	S	S	*	.			trans	-71.3	36.1	152.4	60.7	0	0	0	0	110	N353	N353-S355 PolarHBondContact O-N 3.35Å
356	E	34.5	Very low	57.8	Low	137 Å²	137	87.3 Å²	87.3	64%	0.64	49%	0.492	S	S	*	.			trans	-84.1	125.6	162.6	-68.8	-154.8	171.5	0	0	106.2	E354 S358	E354-E356 HydrophobicContact CB-CB 4.42Å; E354-E356 PolarHBondContact O-N 2.96Å; E356-S358 PolarHBondContact O-N 2.91Å
357	S	39.7	Very low	60.1	Low	131 Å²	131	82.4 Å²	82.4	92%	0.916	47%	0.47	S	S	*	.			trans	-61.6	32	174.7	47.8	0	0	0	0	113.8	S359	S357-S359 PolarHBondContact O-N 2.85Å
358	S	44.3	Very low	62.1	Low	68 Å²	68	74.5 Å²	74.5	48%	0.476	43%	0.433	S	S	.	.			trans	-72.7	119.2	164.7	72.3	0	0	0	0	107.6	E356 F360	E356-S358 PolarHBondContact O-N 2.91Å; S358-F360 PolarHBondContact O-N 2.96Å
359	S	51.5	Low	64.1	Low	106 Å²	106	73.9 Å²	73.9	74%	0.741	43%	0.429	S	S	*	.			trans	-53.8	117.6	-177.9	58.3	0	0	0	0	110.2	S357 S361	S357-S359 PolarHBondContact O-N 2.85Å; S359-S361 VanDerWaalsContact C-N 3.3Å; S359-S361 PolarHBondContact O-N 3.01Å
360	F	65.7	Low	65.9	Low	58 Å²	58	69.3 Å²	69.3	25%	0.254	42%	0.417	S	S	.	.			trans	-64.6	93.4	169	-178.6	-97.1	0	0	0	108.7	K137 W139 Y146 S358 T362	K137-F360 HydrophobicContact CB-CE2 4.34Å; K137-F360 HydrophobicContact CD-CE2 4.1Å; W139-F360 HydrophobicContact CB-CZ 4.13Å; W139-F360 AromaticContact CD2-CE1 3.9Å; W139-F360 HydrophobicContact CD2-CE1 3.9Å; W139-F360 AromaticContact CD2-CZ 3.54Å; W139-F360 HydrophobicContact CD2-CZ 3.54Å; W139-F360 HydrophobicContact CE3-CE1 4.34Å; W139-F360 AromaticContact CE3-CZ 3.58Å; W139-F360 HydrophobicContact CE3-CZ 3.58Å; W139-F360 HydrophobicContact CG-CE1 4.01Å; W139-F360 AromaticContact CG-CZ 3.81Å; W139-F360 HydrophobicContact CG-CZ 3.81Å; W139-F360 HydrophobicContact CZ3-CZ 4.11Å; Y146-F360 HydrophobicContact CD1-CB 4.43Å; Y146-F360 AromaticContact CD1-CD2 3.71Å; Y146-F360 HydrophobicContact CD1-CD2 3.71Å; Y146-F360 HydrophobicContact CD1-CE2 4.29Å; Y146-F360 HydrophobicContact CD1-CG 4.24Å; Y146-F360 AromaticContact CD2-CD2 3.95Å; Y146-F360 HydrophobicContact CD2-CD2 3.95Å; Y146-F360 HydrophobicContact CD2-CE2 4.08Å; Y146-F360 HydrophobicContact CE1-CB 4.35Å; Y146-F360 HydrophobicContact CE1-CD2 4.12Å; Y146-F360 HydrophobicContact CE2-CD2 4.32Å; Y146-F360 AromaticContact CG-CD2 3.63Å; Y146-F360 HydrophobicContact CG-CD2 3.63Å; Y146-F360 AromaticContact CG-CE2 3.79Å; Y146-F360 HydrophobicContact CG-CE2 3.79Å; S358-F360 PolarHBondContact O-N 2.96Å; F360-T362 HydrophobicContact CD1-CG2 3.99Å; F360-T362 HydrophobicContact CE1-CG2 3.58Å; F360-T362 PolarHBondContact O-N 3.09Å
361	S	72.4	Confident	67.6	Low	66 Å²	66	73.7 Å²	73.7	46%	0.462	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-80.1	117.4	175.7	-171.7	0	0	0	0	109.2	S359	S359-S361 VanDerWaalsContact C-N 3.3Å; S359-S361 PolarHBondContact O-N 3.01Å
362	T	80.3	Confident	69.4	Low	40 Å²	40	71.3 Å²	71.3	25%	0.245	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-77.2	144.6	173.7	44.5	0	0	0	0	109.7	W139 F360 S364	W139-T362 HydrophobicContact CZ2-CG2 4.19Å; F360-T362 HydrophobicContact CD1-CG2 3.99Å; F360-T362 HydrophobicContact CE1-CG2 3.58Å; F360-T362 PolarHBondContact O-N 3.09Å; T362-S364 PolarHBondContact O-N 2.76Å
363	P	85.6	Confident	71.6	Confident	11 Å²	11	74.6 Å²	74.6	7%	0.071	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-67.3	133.9	175.1	28.5	-33.4	0	0	0	109.9	L257 W267 L278	L257-P363 HydrophobicContact CD2-CB 4.25Å; W267-P363 HydrophobicContact CB-CG 4.27Å; W267-P363 HydrophobicContact CD2-CB 4.11Å; W267-P363 HydrophobicContact CD2-CG 3.72Å; W267-P363 HydrophobicContact CE3-CB 4.2Å; W267-P363 HydrophobicContact CE3-CG 4.11Å; W267-P363 HydrophobicContact CG-CG 3.79Å; W267-P363 HydrophobicContact CH2-CB 4.21Å; W267-P363 HydrophobicContact CZ2-CB 4.17Å; W267-P363 HydrophobicContact CZ3-CB 4.23Å; L278-P363 HydrophobicContact CD1-CB 4.14Å; L278-P363 HydrophobicContact CD1-CG 3.5Å
364	S	90.5	Very high	74	Confident	40 Å²	40	70.8 Å²	70.8	28%	0.28	41%	0.412	S	S	.	.			trans	-104.7	134.2	172.9	177.4	0	0	0	0	109.7	E258 T362	E258-S364 PolarHBondContact N-O 2.98Å; E258-S364 WeakPolarHBondContact OE2-CB 3.5Å; E258-S364 PolarHBondContact OE2-OG 2.97Å; T362-S364 PolarHBondContact O-N 2.76Å
365	V	93.3	Very high	76.6	Confident	3 Å²	3	67.4 Å²	67.4	2%	0.018	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131	-177.1	-176.7	0	0	0	0	110	L255 K256 L257 I309 L312 N313 L316	L255-V365 HydrophobicContact CB-CG1 3.79Å; L255-V365 HydrophobicContact CD1-CG1 4.03Å; L255-V365 HydrophobicContact CD1-CG2 4.06Å; L255-V365 HydrophobicContact CD2-CG1 4.24Å; L255-V365 HydrophobicContact CG-CG1 4.25Å; K256-V365 WeakPolarHBondContact O-CG1 3.3Å; L257-V365 HydrophobicContact CD2-CG2 4.37Å; I309-V365 HydrophobicContact CD1-CG1 3.73Å; I309-V365 HydrophobicContact CG2-CB 4.42Å; I309-V365 HydrophobicContact CG2-CG1 4.3Å; I309-V365 VanDerWaalsContact CG2-O 3.3Å; I309-V365 WeakPolarHBondContact CG2-O 3.47Å; L312-V365 HydrophobicContact CD2-CB 4.48Å; L312-V365 HydrophobicContact CD2-CG2 4.11Å; N313-V365 PolarHBondContact ND2-O 3.33Å; N313-V365 WeakPolarHBondContact OD1-CB 3.15Å; N313-V365 PolarHBondContact OD1-N 3.27Å; L316-V365 HydrophobicContact CD1-CG2 4.36Å
366	V	93.3	Very high	79.4	Confident	84 Å²	84	63.9 Å²	63.9	51%	0.509	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-48.3	-179.3	178.8	0	0	0	0	111.6	K256 E258	K256-V366 PolarHBondContact O-N 3.12Å; E258-V366 VanDerWaalsContact CA-CG2 3.42Å; E258-V366 HydrophobicContact CB-CG2 3.6Å; E258-V366 HydrophobicContact CG-CG2 4.1Å
367	S	94.5	Very high	82.1	Confident	40 Å²	40	60.1 Å²	60.1	28%	0.28	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	165.3	-173.6	74.7	0	0	0	0	112	K256	K256-S367 PolarHBondContact N-O 3.14Å
368	I	94.1	Very high	84.5	Confident	14 Å²	14	57.3 Å²	57.3	7%	0.072	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	149.9	161.4	-55.7	-178.4	0	0	0	108.1	T254 L255 D305 F308 I309 R374	T254-I368 WeakPolarHBondContact O-CG2 3.46Å; L255-I368 HydrophobicContact CD2-CG1 4.05Å; D305-I368 HydrophobicContact CB-CD1 4.07Å; F308-I368 HydrophobicContact CD1-CD1 3.98Å; F308-I368 HydrophobicContact CE1-CD1 4.35Å; I309-I368 HydrophobicContact CD1-CG1 3.79Å; I309-I368 HydrophobicContact CG1-CG1 4.15Å; I368-R374 HydrophobicContact CD1-CG 3.69Å
369	Q	92.6	Very high	86.6	Confident	7 Å²	7	54.3 Å²	54.3	3%	0.033	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-57.8	130.4	174.8	-176.6	179.1	-100.7	0	0	109.9	Y101 T254 Y285 T372	Y101-Q369 VanDerWaalsContact N-OE1 3.12Å; Y101-Q369 PolarHBondContact O-NE2 3.23Å; T254-Q369 HydrophobicContact CG2-CB 3.83Å; T254-Q369 HydrophobicContact CG2-CG 4.37Å; T254-Q369 PolarHBondContact O-N 3.08Å; Y285-Q369 HydrophobicContact CD1-CB 4.4Å; Y285-Q369 HydrophobicContact CD1-CG 4.44Å; Y285-Q369 HydrophobicContact CE1-CB 4.05Å; Y285-Q369 HydrophobicContact CE1-CG 3.88Å; Q369-T372 HydrophobicContact CB-CG2 4.24Å; Q369-T372 HydrophobicContact CG-CG2 4.19Å; Q369-T372 PolarHBondContact O-N 3.31Å; Q369-T372 PolarHBondContact O-OG1 2.81Å
370	P	89.1	Confident	88.2	Confident	76 Å²	76	49.7 Å²	49.7	49%	0.494	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	150.2	175.8	-25.8	34.6	0	0	0	112.2	T372	P370-T372 PolarHBondContact O-N 2.95Å
371	N	85.7	Confident	89.3	Confident	147 Å²	147	47.8 Å²	47.8	79%	0.786	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	11.6	179.3	-53.3	-34.2	0	0	0	116	E100	E100-N371 PolarHBondContact OE1-ND2 3.2Å
372	T	88.3	Confident	90.1	Very high	27 Å²	27	46.4 Å²	46.4	17%	0.166	26%	0.263	C	S	.	.			trans	-108.8	156.9	171.7	67.1	0	0	0	0	111.9	Q369 P370	Q369-T372 HydrophobicContact CB-CG2 4.24Å; Q369-T372 HydrophobicContact CG-CG2 4.19Å; Q369-T372 PolarHBondContact O-N 3.31Å; Q369-T372 PolarHBondContact O-OG1 2.81Å; P370-T372 PolarHBondContact O-N 2.95Å
373	K	90.4	Very high	90.6	Very high	176 Å²	176	45.2 Å²	45.2	77%	0.765	26%	0.255	S	S	*	.			trans	-117.5	141	175.9	-66.1	-174.4	178.3	-177.2	0	108.7	N103	N103-K373 PolarHBondContact ND2-O 2.91Å
374	R	94.2	Very high	90.9	Very high	30 Å²	30	44.7 Å²	44.7	11%	0.113	25%	0.251	C	S	.	.			trans	-58.6	145.5	167.7	-58.9	-175.8	-65.8	-115.2	-5	109.7	I251 A253 M301 L303 D305 F308 I368	I251-R374 HydrophobicContact CG2-CB 4.44Å; A253-R374 HydrophobicContact CB-CG 4.04Å; M301-R374 HydrophobicContact CE-CB 4.11Å; M301-R374 PolarHBondContact O-NH2 3.08Å; M301-R374 HydrophobicContact SD-CB 3.79Å; L303-R374 PolarHBondContact O-NH2 3.36Å; D305-R374 IonicContact OD1-CZ 2.63Å; D305-R374 IonicContact OD1-NH1 2.82Å; D305-R374 PolarHBondContact OD1-NH1 2.87Å; D305-R374 IonicContact OD1-NH2 2.74Å; F308-R374 VanDerWaalsContact CG-NH1 3.33Å; I368-R374 HydrophobicContact CD1-CG 3.69Å
375	A	94.1	Very high	90.8	Very high	36 Å²	36	45 Å²	45	30%	0.298	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	157	172	0	0	0	0	0	109.9	I251 V252	I251-A375 CarbonylContact C-O 3.55Å; I251-A375 WeakPolarHBondContact CA-O 3.22Å; V252-A375 HydrophobicContact CG2-CB 3.89Å; V252-A375 PolarHBondContact N-O 2.96Å; V252-A375 PolarHBondContact O-N 2.97Å
376	C	93	Very high	90.8	Very high	45 Å²	45	50.8 Å²	50.8	30%	0.304	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	140	-177.6	-165.8	0	0	0	0	109.7	K249 A250 M301	K249-C376 WeakPolarHBondContact CB-SG 3.38Å; A250-C376 CarbonylContact O-C 3.59Å; A250-C376 VanDerWaalsContact O-CA 3.3Å; A250-C376 WeakPolarHBondContact O-CA 3.45Å; M301-C376 HydrophobicContact CE-CB 4.26Å; M301-C376 HydrophobicContact CG-CB 3.95Å; M301-C376 HydrophobicContact SD-CB 3.94Å
377	F	91	Very high	90.8	Very high	57 Å²	57	46.8 Å²	46.8	25%	0.25	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	144.8	175.5	55.6	-92	0	0	0	112.4	K249 A250 V252 L379	K249-F377 CarbonylContact C-O 3.57Å; K249-F377 VanDerWaalsContact CA-O 3.25Å; K249-F377 WeakPolarHBondContact CA-O 3.25Å; A250-F377 HydrophobicContact CB-CD2 4.14Å; A250-F377 HydrophobicContact CB-CE1 4.11Å; A250-F377 HydrophobicContact CB-CE2 3.61Å; A250-F377 HydrophobicContact CB-CZ 3.59Å; A250-F377 PolarHBondContact N-O 3.42Å; A250-F377 PolarHBondContact O-N 3.21Å; V252-F377 HydrophobicContact CB-CE1 4.42Å; V252-F377 HydrophobicContact CG1-CD1 4.49Å; V252-F377 HydrophobicContact CG1-CE1 3.49Å; V252-F377 VanDerWaalsContact CG1-CE1 3.49Å; V252-F377 HydrophobicContact CG1-CZ 4.1Å; V252-F377 HydrophobicContact CG2-CD1 4.4Å; V252-F377 HydrophobicContact CG2-CE1 4.06Å; F377-L379 HydrophobicContact CD2-CD2 3.99Å; F377-L379 HydrophobicContact CE2-CD2 3.7Å
378	P	90.9	Very high	90.8	Very high	72 Å²	72	45.3 Å²	45.3	47%	0.468	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	141.8	180	29.4	-34.9	0	0	0	111	R401	P378-R401 PolarHBondContact O-NH2 3.23Å
379	L	87	Confident	90.8	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	142.1	174.5	-60.2	-176.4	0	0	0	110.3	N245 Q248 A250 F377 P404	N245-L379 PolarHBondContact OD1-O 2.91Å; Q248-L379 HydrophobicContact CB-CB 4.1Å; Q248-L379 HydrophobicContact CB-CD1 4.06Å; Q248-L379 HydrophobicContact CB-CG 4.4Å; Q248-L379 PolarHBondContact O-N 2.51Å; A250-L379 HydrophobicContact CB-CD1 4.19Å; A250-L379 HydrophobicContact CB-CD2 3.83Å; A250-L379 HydrophobicContact CB-CG 4.16Å; F377-L379 HydrophobicContact CD2-CD2 3.99Å; F377-L379 HydrophobicContact CE2-CD2 3.7Å; L379-P404 HydrophobicContact CD1-CG 4.37Å; L379-P404 HydrophobicContact CD2-CG 3.63Å
380	G	86.1	Confident	90.8	Very high	8 Å²	8	47.7 Å²	47.7	8%	0.082	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	152.4	178.2	0	0	0	0	0	110.6	R401	G380-R401 WeakPolarHBondContact O-CD 3.24Å
381	F	89	Confident	91.1	Very high	18 Å²	18	44.9 Å²	44.9	8%	0.079	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.3	173.3	176.3	-104.7	0	0	0	109.4	G243 W244 H383 R401 A455 E459	G243-F381 CarbonylContact C-O 3.6Å; G243-F381 WeakPolarHBondContact CA-O 3.22Å; W244-F381 HydrophobicContact CD2-CB 4.36Å; W244-F381 AromaticContact CD2-CD1 3.89Å; W244-F381 HydrophobicContact CD2-CD1 3.89Å; W244-F381 AromaticContact CE2-CD1 3.68Å; W244-F381 AromaticContact CE3-CD1 3.81Å; W244-F381 HydrophobicContact CE3-CD1 3.81Å; W244-F381 HydrophobicContact CE3-CE1 4.38Å; W244-F381 AromaticContact CH2-CD1 3.35Å; W244-F381 HydrophobicContact CH2-CD1 3.35Å; W244-F381 AromaticContact CH2-CE1 3.44Å; W244-F381 HydrophobicContact CH2-CE1 3.44Å; W244-F381 VanDerWaalsContact CH2-CE1 3.44Å; W244-F381 HydrophobicContact CH2-CG 4.31Å; W244-F381 HydrophobicContact CH2-CZ 4.47Å; W244-F381 HydrophobicContact CZ2-CB 4.35Å; W244-F381 AromaticContact CZ2-CD1 3.44Å; W244-F381 HydrophobicContact CZ2-CD1 3.44Å; W244-F381 VanDerWaalsContact CZ2-CD1 3.44Å; W244-F381 AromaticContact CZ2-CE1 3.95Å; W244-F381 HydrophobicContact CZ2-CE1 3.95Å; W244-F381 AromaticContact CZ2-CG 3.99Å; W244-F381 HydrophobicContact CZ2-CG 3.99Å; W244-F381 AromaticContact CZ3-CD1 3.54Å; W244-F381 HydrophobicContact CZ3-CD1 3.54Å; W244-F381 AromaticContact CZ3-CE1 3.69Å; W244-F381 HydrophobicContact CZ3-CE1 3.69Å; W244-F381 PolarHBondContact N-O 3Å; W244-F381 PolarHBondContact O-N 3.31Å; F381-H383 HydrophobicContact CE1-CB 4.16Å; F381-H383 HydrophobicContact CE2-CB 4.38Å; F381-H383 HydrophobicContact CZ-CB 3.7Å; F381-R401 WeakPolarHBondContact CA-O 3.43Å; F381-R401 WeakPolarHBondContact CD2-O 3.45Å; F381-A455 HydrophobicContact CE2-CB 3.72Å; F381-A455 HydrophobicContact CZ-CB 4.14Å; F381-E459 WeakPolarHBondContact CB-OE1 3.34Å; F381-E459 HydrophobicContact CD2-CG 4.26Å; F381-E459 HydrophobicContact CG-CG 4.41Å
382	Q	89.7	Confident	91.7	Very high	37 Å²	37	37.9 Å²	37.9	17%	0.173	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	134.9	173.3	-171.1	174.6	0.7	0	0	110	F229 R234 T241 I242 H400 R401	F229-Q382 PolarHBondContact O-OE1 3.44Å; R234-Q382 VanDerWaalsContact NH2-NE2 3.17Å; T241-Q382 HydrophobicContact CG2-CG 4.11Å; T241-Q382 PolarHBondContact OG1-NE2 2.91Å; T241-Q382 VanDerWaalsContact OG1-NE2 3.1Å; I242-Q382 CarbonylContact O-C 3.51Å; I242-Q382 WeakPolarHBondContact O-CA 3.43Å; Q382-H400 CarbonylContact O-C 3.53Å; Q382-H400 WeakPolarHBondContact O-CA 3.46Å; Q382-R401 HydrophobicContact CB-CB 4.03Å; Q382-R401 PolarHBondContact N-O 3.35Å; Q382-R401 PolarHBondContact O-N 3.37Å
383	H	90.9	Very high	92.1	Very high	16 Å²	16	36.6 Å²	36.6	7%	0.074	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	125.6	-179.2	-174.1	-79.7	0	0	0	110.1	T241 I242 F381 Y387 V452	T241-H383 CarbonylContact C-O 3.59Å; T241-H383 VanDerWaalsContact CA-O 3.27Å; T241-H383 WeakPolarHBondContact CA-O 3.39Å; I242-H383 PolarHBondContact N-O 2.97Å; I242-H383 PolarHBondContact O-N 3.43Å; F381-H383 HydrophobicContact CE1-CB 4.16Å; F381-H383 HydrophobicContact CE2-CB 4.38Å; F381-H383 HydrophobicContact CZ-CB 3.7Å; H383-Y387 PolarHBondContact CD2-OH 3.49Å; H383-Y387 AromaticContact CE1-CE1 3.7Å; H383-Y387 AromaticContact NE2-CE1 3.68Å; H383-Y387 AromaticContact NE2-CZ 3.57Å; H383-Y387 PolarHBondContact NE2-OH 3.42Å; H383-V452 WeakPolarHBondContact NE2-CG2 3.06Å
384	A	91.1	Very high	92.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	138.3	176.9	0	0	0	0	0	111.1	I239 H240 T241 F386 Y387 L394 A399	I239-A384 HydrophobicContact CG2-CB 3.86Å; H240-A384 WeakPolarHBondContact O-CA 3.5Å; T241-A384 HydrophobicContact CG2-CB 4.3Å; A384-F386 WeakPolarHBondContact CB-O 3.29Å; A384-F386 PolarHBondContact O-N 3.29Å; A384-Y387 HydrophobicContact CB-CD1 4.2Å; A384-Y387 HydrophobicContact CB-CE1 4.42Å; A384-L394 HydrophobicContact CB-CD1 4.38Å; A384-A399 WeakPolarHBondContact CB-O 3.43Å; A384-A399 PolarHBondContact N-O 2.98Å
385	T	89.1	Confident	92.7	Very high	47 Å²	47	26.9 Å²	26.9	29%	0.288	15%	0.153	S	C	.	.	S	Bend	trans	-64.4	-29.8	178.8	54.7	0	0	0	0	112.1	H240 I242 Q448	H240-T385 HydrophobicContact CB-CG2 4.15Å; H240-T385 PolarHBondContact O-N 3.46Å; H240-T385 PolarHBondContact O-OG1 3.45Å; I242-T385 HydrophobicContact CD1-CG2 4.45Å; I242-T385 HydrophobicContact CG1-CG2 4.47Å; T385-Q448 PolarHBondContact O-NE2 3.18Å
386	F	91.7	Very high	92.7	Very high	123 Å²	123	25.2 Å²	25.2	54%	0.539	14%	0.14	S	C	.	.			trans	-138	148.3	172.9	-59.3	-75	0	0	0	108.7	I239 A384 S388	I239-F386 VanDerWaalsContact CG2-O 3.22Å; I239-F386 WeakPolarHBondContact CG2-O 3.32Å; A384-F386 WeakPolarHBondContact CB-O 3.29Å; A384-F386 PolarHBondContact O-N 3.29Å; F386-S388 VanDerWaalsContact C-N 3.34Å
387	Y	94.1	Very high	92.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-96.7	2.3	175.5	-60.6	-3.6	0	0	0	111.7	H383 A384 A393 L394 A399 H400 T444 R447 Q448 I451	H383-Y387 PolarHBondContact CD2-OH 3.49Å; H383-Y387 AromaticContact CE1-CE1 3.7Å; H383-Y387 AromaticContact NE2-CE1 3.68Å; H383-Y387 AromaticContact NE2-CZ 3.57Å; H383-Y387 PolarHBondContact NE2-OH 3.42Å; A384-Y387 HydrophobicContact CB-CD1 4.2Å; A384-Y387 HydrophobicContact CB-CE1 4.42Å; Y387-A393 CarbonylContact O-C 3.54Å; Y387-L394 PolarHBondContact O-N 2.95Å; Y387-A399 HydrophobicContact CD1-CB 3.75Å; Y387-A399 HydrophobicContact CD2-CB 4.19Å; Y387-A399 HydrophobicContact CE1-CB 4.02Å; Y387-A399 HydrophobicContact CE2-CB 4.41Å; Y387-A399 HydrophobicContact CG-CB 3.87Å; Y387-H400 AromaticContact CE2-CD2 3.83Å; Y387-H400 AromaticContact CZ-CD2 3.72Å; Y387-T444 HydrophobicContact CG-CG2 4.36Å; Y387-R447 HydrophobicContact CD2-CB 3.77Å; Y387-R447 HydrophobicContact CE2-CB 3.68Å; Y387-Q448 HydrophobicContact CD1-CG 4.41Å; Y387-Q448 HydrophobicContact CD2-CG 4.43Å; Y387-Q448 HydrophobicContact CE1-CG 4.02Å; Y387-Q448 HydrophobicContact CE2-CG 4.06Å; Y387-I451 HydrophobicContact CE2-CD1 3.75Å; Y387-I451 VanDerWaalsContact OH-CG2 3.31Å; Y387-I451 WeakPolarHBondContact OH-CG2 3.25Å
388	S	94.2	Very high	93.1	Very high	9 Å²	9	23.6 Å²	23.6	6%	0.063	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	159.3	179.1	63.2	0	0	0	0	112.5	F386 V392 L440 T444	F386-S388 VanDerWaalsContact C-N 3.34Å; S388-V392 CarbonylContact C-O 3.57Å; S388-V392 WeakPolarHBondContact CA-O 3.38Å; S388-V392 WeakPolarHBondContact CB-O 3.47Å; S388-L440 PolarHBondContact OG-O 3.21Å; S388-L440 VanDerWaalsContact OG-O 3.05Å; S388-T444 WeakPolarHBondContact CB-OG1 3.31Å; S388-T444 PolarHBondContact N-OG1 3.43Å; S388-T444 PolarHBondContact OG-OG1 2.93Å
389	A	93.6	Very high	93.3	Very high	27 Å²	27	20.2 Å²	20.2	22%	0.223	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	179.4	164.6	0	0	0	0	0	108.2	A237 I239 R391 V392 L440	A237-A389 HydrophobicContact CB-CB 4.42Å; I239-A389 HydrophobicContact CD1-CB 4.34Å; A389-R391 PolarHBondContact O-N 3.4Å; A389-V392 HydrophobicContact CB-CB 4.24Å; A389-V392 PolarHBondContact N-O 3.27Å; A389-V392 PolarHBondContact O-N 2.77Å; A389-L440 WeakPolarHBondContact O-CD1 3.36Å
390	T	93	Very high	93.5	Very high	45 Å²	45	20 Å²	20	28%	0.276	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	119.7	176.1	-56.2	0	0	0	0	109.8	P194 P199 V392	P194-T390 HydrophobicContact CG-CG2 3.93Å; P199-T390 HydrophobicContact CB-CG2 3.95Å; T390-V392 PolarHBondContact O-N 3.16Å; T390-V392 VanDerWaalsContact O-N 3.17Å
391	R	96.1	Very high	93.7	Very high	17 Å²	17	22 Å²	22	6%	0.064	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	18.3	-177.2	-56.6	-174.7	175.9	-89.7	13.1	115.7	P194 P199 E200 H201 V203 D221 L223 A389 N433 G435	P194-R391 HydrophobicContact CG-CB 4.44Å; P194-R391 HydrophobicContact CG-CG 4.35Å; P199-R391 PolarHBondContact O-NE 3.44Å; E200-R391 PolarHBondContact O-NH2 3.2Å; H201-R391 WeakPolarHBondContact O-CD 3.28Å; H201-R391 PolarHBondContact O-NE 2.86Å; V203-R391 HydrophobicContact CG2-CB 3.71Å; D221-R391 VanDerWaalsContact O-CB 3.29Å; D221-R391 WeakPolarHBondContact O-CB 3.44Å; D221-R391 WeakPolarHBondContact O-CD 3.15Å; D221-R391 VanDerWaalsContact O-CG 3.26Å; D221-R391 WeakPolarHBondContact O-CG 3.5Å; D221-R391 PolarHBondContact O-NH1 3.36Å; D221-R391 IonicContact OD1-CZ 3.64Å; D221-R391 IonicContact OD1-NH1 3.83Å; D221-R391 PolarHBondContact OD1-NH1 2.83Å; D221-R391 IonicContact OD1-NH2 3.78Å; L223-R391 PolarHBondContact N-O 2.71Å; A389-R391 PolarHBondContact O-N 3.4Å; R391-N433 PolarHBondContact NH1-OD1 3.05Å; R391-G435 PolarHBondContact N-O 2.85Å; R391-G435 VanDerWaalsContact N-O 3.13Å
392	V	97.3	Very high	93.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.7	177.2	-178.2	0	0	0	0	110.7	L193 L223 V233 A237 S388 A389 T390	L193-V392 HydrophobicContact CD1-CG2 4Å; L193-V392 HydrophobicContact CD2-CG2 3.44Å; L193-V392 VanDerWaalsContact CD2-CG2 3.44Å; L193-V392 HydrophobicContact CG-CG2 4.36Å; L223-V392 HydrophobicContact CB-CG2 4.48Å; L223-V392 CarbonylContact O-C 3.54Å; L223-V392 VanDerWaalsContact O-CA 3.25Å; L223-V392 WeakPolarHBondContact O-CA 3.29Å; V233-V392 HydrophobicContact CG1-CG1 3.57Å; A237-V392 HydrophobicContact CB-CG1 4.12Å; S388-V392 CarbonylContact C-O 3.57Å; S388-V392 WeakPolarHBondContact CA-O 3.38Å; S388-V392 WeakPolarHBondContact CB-O 3.47Å; A389-V392 HydrophobicContact CB-CB 4.24Å; A389-V392 PolarHBondContact N-O 3.27Å; A389-V392 PolarHBondContact O-N 2.77Å; T390-V392 PolarHBondContact O-N 3.16Å; T390-V392 VanDerWaalsContact O-N 3.17Å
393	A	98.1	Very high	93.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149	169.2	0	0	0	0	0	110.5	L222 L223 V224 G225 Y387 L420 L440	L222-A393 HydrophobicContact CD1-CB 4.32Å; L223-A393 PolarHBondContact O-N 3.08Å; V224-A393 CarbonylContact C-O 3.53Å; V224-A393 VanDerWaalsContact CA-O 3.29Å; V224-A393 WeakPolarHBondContact CA-O 3.17Å; V224-A393 HydrophobicContact CG2-CB 4.47Å; G225-A393 PolarHBondContact N-O 3.47Å; Y387-A393 CarbonylContact O-C 3.54Å; A393-L420 HydrophobicContact CB-CD1 4.02Å; A393-L420 HydrophobicContact CB-CD2 3.98Å; A393-L440 HydrophobicContact CB-CD2 4.18Å
394	L	98.3	Very high	92.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.1	175.9	-59.4	177.6	0	0	0	108.4	V233 R234 I239 A384 Y387 A399 Y443	V233-L394 HydrophobicContact CB-CD2 4.35Å; V233-L394 HydrophobicContact CG1-CD2 4.03Å; R234-L394 HydrophobicContact CB-CD1 3.79Å; R234-L394 HydrophobicContact CB-CD2 3.88Å; R234-L394 HydrophobicContact CG-CD1 3.61Å; I239-L394 HydrophobicContact CD1-CD1 3.7Å; I239-L394 HydrophobicContact CD1-CG 4.3Å; I239-L394 HydrophobicContact CG2-CD1 4.23Å; A384-L394 HydrophobicContact CB-CD1 4.38Å; Y387-L394 PolarHBondContact O-N 2.95Å; L394-A399 HydrophobicContact CB-CB 3.83Å; L394-Y443 PolarHBondContact O-OH 3.4Å
395	V	97.8	Very high	91.3	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	12%	0.121	C	C	.	.			trans	-132.4	148.7	179	-64.2	0	0	0	0	111.7	V65 L69 V224 G225 A226 S398 D416 L420	V65-V395 HydrophobicContact CG1-CB 3.95Å; V65-V395 HydrophobicContact CG1-CG2 3.63Å; L69-V395 HydrophobicContact CD2-CG2 4.49Å; V224-V395 HydrophobicContact CG1-CG1 4.24Å; V224-V395 HydrophobicContact CG1-CG2 3.91Å; G225-V395 WeakPolarHBondContact O-CG2 3.4Å; G225-V395 PolarHBondContact O-N 3.43Å; A226-V395 HydrophobicContact CB-CG2 3.81Å; V395-S398 PolarHBondContact N-OG 3.45Å; V395-S398 PolarHBondContact O-N 3.18Å; V395-S398 PolarHBondContact O-OG 2.97Å; V395-D416 HydrophobicContact CB-CB 4.13Å; V395-D416 HydrophobicContact CG1-CB 4.1Å; V395-L420 HydrophobicContact CG1-CD2 3.67Å
396	G	95.7	Very high	90.1	Very high	1 Å²	1	21 Å²	21	1%	0.01	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	58.9	-139.8	178.5	0	0	0	0	0	113	S398 A399 H400 D416	G396-S398 PolarHBondContact O-N 3.12Å; G396-A399 WeakPolarHBondContact O-CA 3.44Å; G396-A399 PolarHBondContact O-N 3.45Å; G396-H400 CarbonylContact C-O 3.5Å; G396-H400 PolarHBondContact O-N 2.85Å; G396-D416 PolarHBondContact N-OD2 2.95Å
397	D	94.8	Very high	89.3	Confident	68 Å²	68	16.7 Å²	16.7	36%	0.364	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-56.2	-20.2	-177.9	-78.3	22.3	0	0	0	114.6	G228 F229 A399 H400	G228-D397 CarbonylContact C-O 3.6Å; F229-D397 WeakPolarHBondContact CA-O 3.48Å; D397-A399 VanDerWaalsContact C-N 3.33Å; D397-H400 VanDerWaalsContact CA-O 3.25Å; D397-H400 WeakPolarHBondContact CA-O 3.39Å
398	S	95.9	Very high	88.5	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-71.2	-28.3	172.4	76.2	0	0	0	0	112.6	G225 G228 R234 V395 G396	G225-S398 PolarHBondContact O-OG 3.25Å; G228-S398 VanDerWaalsContact O-CA 3.3Å; G228-S398 WeakPolarHBondContact O-CA 3.3Å; R234-S398 VanDerWaalsContact CD-O 3.3Å; R234-S398 WeakPolarHBondContact CD-O 3.33Å; R234-S398 PolarHBondContact NH1-O 3.22Å; V395-S398 PolarHBondContact N-OG 3.45Å; V395-S398 PolarHBondContact O-N 3.18Å; V395-S398 PolarHBondContact O-OG 2.97Å; G396-S398 PolarHBondContact O-N 3.12Å
399	A	94.8	Very high	88	Confident	2 Å²	2	18.2 Å²	18.2	2%	0.017	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-42.9	177.7	0	0	0	0	0	111.4	A384 Y387 L394 G396 D397	A384-A399 WeakPolarHBondContact CB-O 3.43Å; A384-A399 PolarHBondContact N-O 2.98Å; Y387-A399 HydrophobicContact CD1-CB 3.75Å; Y387-A399 HydrophobicContact CD2-CB 4.19Å; Y387-A399 HydrophobicContact CE1-CB 4.02Å; Y387-A399 HydrophobicContact CE2-CB 4.41Å; Y387-A399 HydrophobicContact CG-CB 3.87Å; L394-A399 HydrophobicContact CB-CB 3.83Å; G396-A399 WeakPolarHBondContact O-CA 3.44Å; G396-A399 PolarHBondContact O-N 3.45Å; D397-A399 VanDerWaalsContact C-N 3.33Å
400	H	92.1	Very high	87.9	Confident	2 Å²	2	18.1 Å²	18.1	1%	0.009	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	133.9	-175.2	53	83.1	0	0	0	111.1	Q382 Y387 G396 D397 L412 D416 I451	Q382-H400 CarbonylContact O-C 3.53Å; Q382-H400 WeakPolarHBondContact O-CA 3.46Å; Y387-H400 AromaticContact CE2-CD2 3.83Å; Y387-H400 AromaticContact CZ-CD2 3.72Å; G396-H400 CarbonylContact C-O 3.5Å; G396-H400 PolarHBondContact O-N 2.85Å; D397-H400 VanDerWaalsContact CA-O 3.25Å; D397-H400 WeakPolarHBondContact CA-O 3.39Å; H400-L412 VanDerWaalsContact CE1-CB 3.47Å; H400-L412 WeakPolarHBondContact CE1-CB 3.45Å; H400-D416 IonicContact CD2-OD2 3.69Å; H400-D416 IonicContact CE1-OD2 2.84Å; H400-D416 PolarHBondContact CE1-OD2 3.44Å; H400-D416 IonicContact NE2-OD1 3.11Å; H400-D416 IonicContact NE2-OD2 2.68Å; H400-D416 PolarHBondContact NE2-OD2 2.8Å; H400-I451 HydrophobicContact CB-CG2 3.9Å; H400-I451 VanDerWaalsContact CD2-CD1 3.5Å; H400-I451 WeakPolarHBondContact CD2-CD1 3.26Å; H400-I451 VanDerWaalsContact NE2-CD1 3.35Å; H400-I451 WeakPolarHBondContact NE2-CD1 3.13Å
401	R	91.4	Very high	87.9	Confident	48 Å²	48	16.2 Å²	16.2	18%	0.181	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	110.1	174.8	-174.9	-172.7	-176	-173.4	-2.4	107.1	P378 G380 F381 Q382	P378-R401 PolarHBondContact O-NH2 3.23Å; G380-R401 WeakPolarHBondContact O-CD 3.24Å; F381-R401 WeakPolarHBondContact CA-O 3.43Å; F381-R401 WeakPolarHBondContact CD2-O 3.45Å; Q382-R401 HydrophobicContact CB-CB 4.03Å; Q382-R401 PolarHBondContact N-O 3.35Å; Q382-R401 PolarHBondContact O-N 3.37Å
402	I	86.5	Confident	87.7	Confident	19 Å²	19	15.4 Å²	15.4	10%	0.097	10%	0.097	C	C	.	.			trans	-104.8	159.6	-179	59.3	152.5	0	0	0	111.5	Q408 L412 L454 A455 L458	I402-Q408 HydrophobicContact CD1-CB 4.04Å; I402-L412 HydrophobicContact CD1-CD1 3.39Å; I402-L412 HydrophobicContact CD1-CG 4.4Å; I402-L412 HydrophobicContact CG1-CD1 3.87Å; I402-L412 HydrophobicContact CG2-CD1 4.16Å; I402-L454 HydrophobicContact CD1-CD2 4.41Å; I402-A455 HydrophobicContact CG2-CB 4.21Å; I402-L458 HydrophobicContact CB-CD1 4.5Å; I402-L458 HydrophobicContact CD1-CD1 3.86Å
403	L	78.9	Confident	87.6	Confident	3 Å²	3	15.4 Å²	15.4	2%	0.016	10%	0.097	C	C	.	.			trans	-61.8	139.2	173.3	-78.7	172.2	0	0	0	111.5	H246 L405 E459 N462	H246-L403 VanDerWaalsContact CD2-CD2 3.47Å; H246-L403 WeakPolarHBondContact CD2-CD2 3.19Å; L403-L405 HydrophobicContact CB-CD1 4.06Å; L403-L405 HydrophobicContact CB-CG 4.39Å; L403-L405 HydrophobicContact CD1-CD1 3.93Å; L403-L405 PolarHBondContact O-N 2.81Å; L403-E459 WeakPolarHBondContact CD1-OE1 3.31Å; L403-E459 VanDerWaalsContact CG-OE1 3.3Å; L403-E459 WeakPolarHBondContact CG-OE1 3.47Å; L403-N462 HydrophobicContact CD1-CB 3.52Å
404	P	75	Confident	87.6	Confident	52 Å²	52	15.5 Å²	15.5	34%	0.338	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	35.1	-179.7	34.9	-37.6	0	0	0	113.2	L379	L379-P404 HydrophobicContact CD1-CG 4.37Å; L379-P404 HydrophobicContact CD2-CG 3.63Å
405	L	69.2	Low	87.4	Confident	8 Å²	8	16.4 Å²	16.4	4%	0.042	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-29.4	-178.6	-88.9	160.7	0	0	0	113.7	Q268 F270 P275 L403 L458 N462	Q268-L405 PolarHBondContact NE2-O 3.32Å; Q268-L405 PolarHBondContact OE1-O 2.95Å; F270-L405 HydrophobicContact CE1-CD2 3.55Å; F270-L405 HydrophobicContact CZ-CD2 4.01Å; P275-L405 HydrophobicContact CB-CD2 4.28Å; P275-L405 HydrophobicContact CG-CD2 3.74Å; L403-L405 HydrophobicContact CB-CD1 4.06Å; L403-L405 HydrophobicContact CB-CG 4.39Å; L403-L405 HydrophobicContact CD1-CD1 3.93Å; L403-L405 PolarHBondContact O-N 2.81Å; L405-L458 HydrophobicContact CB-CD2 4.02Å; L405-L458 HydrophobicContact CD1-CB 4.48Å; L405-L458 WeakPolarHBondContact CD1-O 3.43Å; L405-N462 HydrophobicContact CD1-CB 3.88Å
406	A	64.4	Low	87.4	Confident	17 Å²	17	16.4 Å²	16.4	14%	0.14	11%	0.107	C	C	.	.	S	Bend	trans	-120.9	5.8	-177.7	0	0	0	0	0	112.8	F337 V340 Q408 L458	F337-A406 HydrophobicContact CE2-CB 4.49Å; V340-A406 HydrophobicContact CG1-CB 4.33Å; A406-Q408 HydrophobicContact CB-CG 3.73Å; A406-Q408 WeakPolarHBondContact O-CG 3.42Å; A406-Q408 PolarHBondContact O-N 3.31Å; A406-Q408 PolarHBondContact O-NE2 3.1Å; A406-L458 HydrophobicContact CB-CD2 4.22Å
407	G	74.6	Confident	87.5	Confident	32 Å²	32	16.3 Å²	16.3	33%	0.33	11%	0.106	S	C	.	.	S	Bend	trans	63.8	20.1	-177.1	0	0	0	0	0	114.9
408	Q	76.4	Confident	87.6	Confident	19 Å²	19	16.4 Å²	16.4	9%	0.089	11%	0.109	C	C	.	.			trans	-88.6	-7.7	-168	-62.9	-55.4	-36.9	0	0	115.8	F344 I402 A406 V410 N411 L412	F344-Q408 HydrophobicContact CD2-CG 4.46Å; I402-Q408 HydrophobicContact CD1-CB 4.04Å; A406-Q408 HydrophobicContact CB-CG 3.73Å; A406-Q408 WeakPolarHBondContact O-CG 3.42Å; A406-Q408 PolarHBondContact O-N 3.31Å; A406-Q408 PolarHBondContact O-NE2 3.1Å; Q408-V410 PolarHBondContact O-N 3.31Å; Q408-N411 WeakPolarHBondContact O-CB 3.18Å; Q408-N411 PolarHBondContact O-N 3.24Å; Q408-N411 PolarHBondContact OE1-ND2 3.04Å; Q408-L412 HydrophobicContact CB-CG 4.47Å; Q408-L412 WeakPolarHBondContact O-CG 3.18Å; Q408-L412 PolarHBondContact O-N 2.91Å
409	G	85.2	Confident	87.6	Confident	21 Å²	21	16.5 Å²	16.5	22%	0.216	11%	0.11	C	C	.	.	H	α-helix	trans	-53	-50.8	-170.6	0	0	0	0	0	113.9	L412 G413	G409-L412 PolarHBondContact O-N 3.41Å; G409-G413 PolarHBondContact O-N 2.87Å; G409-G413 VanDerWaalsContact O-N 3.15Å
410	V	90.8	Very high	87.8	Confident	25 Å²	25	16.5 Å²	16.5	15%	0.152	11%	0.109	C	C	.	.	H	α-helix	trans	-68.9	-36.5	178	177.6	0	0	0	0	112.1	M64 V106 Q408 L412 G413 F414	M64-V410 HydrophobicContact CB-CG1 4.3Å; M64-V410 HydrophobicContact CE-CG1 4.43Å; M64-V410 HydrophobicContact CE-CG2 3.46Å; M64-V410 VanDerWaalsContact CE-CG2 3.46Å; M64-V410 HydrophobicContact SD-CG1 4.01Å; M64-V410 HydrophobicContact SD-CG2 4.03Å; V106-V410 HydrophobicContact CG1-CB 4.2Å; V106-V410 HydrophobicContact CG1-CG2 3.65Å; Q408-V410 PolarHBondContact O-N 3.31Å; V410-L412 VanDerWaalsContact C-N 3.3Å; V410-L412 PolarHBondContact O-N 2.76Å; V410-G413 CarbonylContact O-C 3.34Å; V410-G413 PolarHBondContact O-N 2.84Å; V410-G413 VanDerWaalsContact O-N 3.16Å; V410-F414 HydrophobicContact CG1-CD2 3.85Å; V410-F414 HydrophobicContact CG1-CE2 3.59Å; V410-F414 HydrophobicContact CG1-CG 4.49Å; V410-F414 HydrophobicContact CG1-CZ 4.02Å; V410-F414 PolarHBondContact O-N 3.49Å
411	N	92.8	Very high	88	Confident	5 Å²	5	16.6 Å²	16.6	3%	0.027	11%	0.11	C	C	.	.	H	α-helix	trans	-63.1	-37.8	176.8	-61.3	-39.8	0	0	0	111.7	A107 L108 N109 S112 Q408 F414 G415	A107-N411 PolarHBondContact O-ND2 3.31Å; A107-N411 PolarHBondContact O-OD1 3.11Å; L108-N411 WeakPolarHBondContact CA-OD1 3.38Å; N109-N411 PolarHBondContact N-OD1 3.07Å; S112-N411 PolarHBondContact OG-OD1 2.73Å; Q408-N411 WeakPolarHBondContact O-CB 3.18Å; Q408-N411 PolarHBondContact O-N 3.24Å; Q408-N411 PolarHBondContact OE1-ND2 3.04Å; N411-F414 PolarHBondContact O-N 2.84Å; N411-G415 PolarHBondContact O-N 2.77Å
412	L	92.8	Very high	88.3	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.1	-45.1	172.8	-66.7	179.9	0	0	0	111.4	F344 H400 I402 Q408 G409 V410 F414 G415 D416 R447 I451 L454	F344-L412 HydrophobicContact CE1-CD2 3.61Å; F344-L412 HydrophobicContact CE2-CD2 4.31Å; F344-L412 HydrophobicContact CZ-CD2 3.29Å; H400-L412 VanDerWaalsContact CE1-CB 3.47Å; H400-L412 WeakPolarHBondContact CE1-CB 3.45Å; I402-L412 HydrophobicContact CD1-CD1 3.39Å; I402-L412 HydrophobicContact CD1-CG 4.4Å; I402-L412 HydrophobicContact CG1-CD1 3.87Å; I402-L412 HydrophobicContact CG2-CD1 4.16Å; Q408-L412 HydrophobicContact CB-CG 4.47Å; Q408-L412 WeakPolarHBondContact O-CG 3.18Å; Q408-L412 PolarHBondContact O-N 2.91Å; G409-L412 PolarHBondContact O-N 3.41Å; V410-L412 VanDerWaalsContact C-N 3.3Å; V410-L412 PolarHBondContact O-N 2.76Å; L412-F414 PolarHBondContact O-N 2.7Å; L412-G415 CarbonylContact O-C 3.55Å; L412-G415 PolarHBondContact O-N 2.78Å; L412-D416 PolarHBondContact O-N 3.41Å; L412-R447 PolarHBondContact O-NH2 3.34Å; L412-I451 HydrophobicContact CD1-CG1 4.29Å; L412-I451 HydrophobicContact CD2-CG1 3.95Å; L412-L454 HydrophobicContact CD1-CD2 3.73Å; L412-L454 HydrophobicContact CD2-CD2 3.7Å; L412-L454 HydrophobicContact CG-CD2 4.16Å
413	G	95.2	Very high	88.8	Confident	0 Å²	0	18 Å²	18	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.3	-41.9	175.8	0	0	0	0	0	112.8	G409 V410 D416 V417	G409-G413 PolarHBondContact O-N 2.87Å; G409-G413 VanDerWaalsContact O-N 3.15Å; V410-G413 CarbonylContact O-C 3.34Å; V410-G413 PolarHBondContact O-N 2.84Å; V410-G413 VanDerWaalsContact O-N 3.16Å; G413-D416 VanDerWaalsContact O-CB 3.3Å; G413-D416 WeakPolarHBondContact O-CB 3.24Å; G413-D416 PolarHBondContact O-N 3.18Å; G413-V417 WeakPolarHBondContact O-CG2 3.45Å; G413-V417 PolarHBondContact O-N 2.82Å
414	F	96.4	Very high	89.7	Confident	2 Å²	2	18 Å²	18	1%	0.009	12%	0.115	C	C	.	.	H	α-helix	trans	-66.8	-37.6	173	-74.6	-29.7	0	0	0	112.8	M64 L108 M115 V163 V410 N411 L412 D416 V417 V418	M64-F414 HydrophobicContact CB-CE1 4.49Å; M64-F414 HydrophobicContact CB-CZ 4.22Å; M64-F414 WeakPolarHBondContact O-CE1 3.44Å; L108-F414 HydrophobicContact CD2-CD2 4.29Å; L108-F414 HydrophobicContact CD2-CE2 3.85Å; M115-F414 HydrophobicContact CE-CB 4.49Å; M115-F414 HydrophobicContact CE-CD1 3.65Å; M115-F414 HydrophobicContact CE-CE1 4.12Å; M115-F414 HydrophobicContact CE-CG 4.23Å; M115-F414 HydrophobicContact SD-CB 3.7Å; M115-F414 HydrophobicContact SD-CD1 3.98Å; M115-F414 HydrophobicContact SD-CG 3.93Å; V163-F414 HydrophobicContact CG1-CZ 4.09Å; V410-F414 HydrophobicContact CG1-CD2 3.85Å; V410-F414 HydrophobicContact CG1-CE2 3.59Å; V410-F414 HydrophobicContact CG1-CG 4.49Å; V410-F414 HydrophobicContact CG1-CZ 4.02Å; V410-F414 PolarHBondContact O-N 3.49Å; N411-F414 PolarHBondContact O-N 2.84Å; L412-F414 PolarHBondContact O-N 2.7Å; F414-D416 VanDerWaalsContact C-N 3.25Å; F414-D416 PolarHBondContact O-N 3.29Å; F414-V417 WeakPolarHBondContact O-CB 3.46Å; F414-V417 PolarHBondContact O-N 2.94Å; F414-V417 VanDerWaalsContact O-N 3.16Å; F414-V418 WeakPolarHBondContact O-CG2 3.39Å; F414-V418 PolarHBondContact O-N 2.72Å
415	G	95.3	Very high	90.7	Very high	20 Å²	20	17.9 Å²	17.9	21%	0.206	11%	0.11	C	C	.	.	H	α-helix	trans	-60.8	-35.9	170.3	0	0	0	0	0	112.7	N411 L412 S419 R447	N411-G415 PolarHBondContact O-N 2.77Å; L412-G415 CarbonylContact O-C 3.55Å; L412-G415 PolarHBondContact O-N 2.78Å; G415-S419 WeakPolarHBondContact O-CB 3.33Å; G415-S419 PolarHBondContact O-N 3.09Å; G415-R447 PolarHBondContact O-NH1 3.25Å
416	D	97.4	Very high	92	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.3	-42.3	173.4	-59.7	-23.8	0	0	0	111.4	V395 G396 H400 L412 G413 F414 S419 L420 Y443 R447 I451	V395-D416 HydrophobicContact CB-CB 4.13Å; V395-D416 HydrophobicContact CG1-CB 4.1Å; G396-D416 PolarHBondContact N-OD2 2.95Å; H400-D416 IonicContact CD2-OD2 3.69Å; H400-D416 IonicContact CE1-OD2 2.84Å; H400-D416 PolarHBondContact CE1-OD2 3.44Å; H400-D416 IonicContact NE2-OD1 3.11Å; H400-D416 IonicContact NE2-OD2 2.68Å; H400-D416 PolarHBondContact NE2-OD2 2.8Å; L412-D416 PolarHBondContact O-N 3.41Å; G413-D416 VanDerWaalsContact O-CB 3.3Å; G413-D416 WeakPolarHBondContact O-CB 3.24Å; G413-D416 PolarHBondContact O-N 3.18Å; F414-D416 VanDerWaalsContact C-N 3.25Å; F414-D416 PolarHBondContact O-N 3.29Å; D416-S419 PolarHBondContact O-N 3.38Å; D416-L420 WeakPolarHBondContact O-CB 3.08Å; D416-L420 PolarHBondContact O-N 3.26Å; D416-Y443 HydrophobicContact CB-CE2 4.28Å; D416-Y443 WeakPolarHBondContact CB-OH 3.4Å; D416-Y443 WeakPolarHBondContact O-CE2 3.38Å; D416-R447 IonicContact OD1-CZ 3.05Å; D416-R447 IonicContact OD1-NE 3.39Å; D416-R447 PolarHBondContact OD1-NE 3.01Å; D416-R447 IonicContact OD1-NH2 2.61Å; D416-R447 PolarHBondContact OD1-NH2 2.9Å; D416-I451 WeakPolarHBondContact OD1-CD1 2.82Å
417	V	97.7	Very high	93.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.5	-51.5	177.2	166.4	0	0	0	0	110.8	V65 L69 V72 M115 G413 F414 S419 L420 V421	V65-V417 HydrophobicContact CG1-CG2 3.75Å; L69-V417 HydrophobicContact CB-CG1 4.2Å; L69-V417 HydrophobicContact CB-CG2 3.86Å; L69-V417 HydrophobicContact CD1-CB 4.39Å; L69-V417 HydrophobicContact CD1-CG1 3.93Å; L69-V417 HydrophobicContact CD1-CG2 4.27Å; V72-V417 HydrophobicContact CB-CG1 3.97Å; V72-V417 HydrophobicContact CG1-CG1 4.47Å; V72-V417 HydrophobicContact CG2-CG1 3.92Å; M115-V417 HydrophobicContact CE-CB 4.2Å; M115-V417 HydrophobicContact CE-CG1 3.68Å; M115-V417 HydrophobicContact SD-CG1 4.49Å; G413-V417 WeakPolarHBondContact O-CG2 3.45Å; G413-V417 PolarHBondContact O-N 2.82Å; F414-V417 WeakPolarHBondContact O-CB 3.46Å; F414-V417 PolarHBondContact O-N 2.94Å; F414-V417 VanDerWaalsContact O-N 3.16Å; V417-S419 PolarHBondContact O-N 2.83Å; V417-L420 PolarHBondContact O-N 3.2Å; V417-V421 WeakPolarHBondContact O-CG2 3.3Å; V417-V421 PolarHBondContact O-N 3.3Å
418	V	96.7	Very high	94.5	Very high	69 Å²	69	20.2 Å²	20.2	42%	0.418	11%	0.111	S	C	.	.	H	α-helix	trans	-61.2	-45.9	-179.1	173.7	0	0	0	0	110.8	M115 F414 R422	M115-V418 HydrophobicContact CB-CG2 4.18Å; M115-V418 HydrophobicContact CG-CG2 3.91Å; M115-V418 HydrophobicContact SD-CG2 3.66Å; F414-V418 WeakPolarHBondContact O-CG2 3.39Å; F414-V418 PolarHBondContact O-N 2.72Å; V418-R422 WeakPolarHBondContact O-CB 3.21Å; V418-R422 PolarHBondContact O-N 3.4Å; V418-R422 VanDerWaalsContact O-N 3.08Å
419	S	97	Very high	95.3	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-67	-42.7	179.5	-173.7	0	0	0	0	112.2	G415 D416 V417 R422 H423 E446 R447	G415-S419 WeakPolarHBondContact O-CB 3.33Å; G415-S419 PolarHBondContact O-N 3.09Å; D416-S419 PolarHBondContact O-N 3.38Å; V417-S419 PolarHBondContact O-N 2.83Å; S419-R422 PolarHBondContact O-N 3.46Å; S419-H423 PolarHBondContact O-N 3.43Å; S419-H423 VanDerWaalsContact O-N 3.09Å; S419-H423 PolarHBondContact O-ND1 3.4Å; S419-E446 WeakPolarHBondContact CB-OE1 3.39Å; S419-E446 VanDerWaalsContact OG-CD 3.3Å; S419-E446 PolarHBondContact OG-OE1 3.01Å; S419-R447 VanDerWaalsContact CB-CD 3.49Å
420	L	98	Very high	95.8	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-62.1	-51.3	178.2	178.5	59.8	0	0	0	110.1	L69 V224 A393 V395 D416 V417 R422 H423 L424 L440 Y443	L69-L420 HydrophobicContact CD1-CD2 4.2Å; L69-L420 HydrophobicContact CD2-CD2 4.33Å; V224-L420 HydrophobicContact CG1-CD2 4.23Å; V224-L420 HydrophobicContact CG2-CD2 4.48Å; A393-L420 HydrophobicContact CB-CD1 4.02Å; A393-L420 HydrophobicContact CB-CD2 3.98Å; V395-L420 HydrophobicContact CG1-CD2 3.67Å; D416-L420 WeakPolarHBondContact O-CB 3.08Å; D416-L420 PolarHBondContact O-N 3.26Å; V417-L420 PolarHBondContact O-N 3.2Å; L420-R422 VanDerWaalsContact C-N 3.3Å; L420-R422 PolarHBondContact O-N 3.45Å; L420-H423 PolarHBondContact O-N 3.49Å; L420-L424 HydrophobicContact CD1-CD1 4.27Å; L420-L424 HydrophobicContact CD1-CD2 4.39Å; L420-L424 HydrophobicContact CD1-CG 4.13Å; L420-L424 HydrophobicContact CG-CD1 4.07Å; L420-L424 HydrophobicContact CG-CG 4.33Å; L420-L424 VanDerWaalsContact O-CG 3.28Å; L420-L424 WeakPolarHBondContact O-CG 3.35Å; L420-L424 PolarHBondContact O-N 2.83Å; L420-L440 HydrophobicContact CD1-CD2 3.98Å; L420-Y443 HydrophobicContact CB-CD2 3.86Å; L420-Y443 HydrophobicContact CB-CE2 3.73Å; L420-Y443 HydrophobicContact CB-CG 4.46Å; L420-Y443 HydrophobicContact CD1-CD1 4.11Å; L420-Y443 HydrophobicContact CD1-CD2 4.34Å; L420-Y443 HydrophobicContact CD1-CE1 4.42Å; L420-Y443 HydrophobicContact CD1-CG 4.08Å
421	V	97	Very high	95.9	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.024	18%	0.181	C	C	.	.	H	α-helix	trans	-57.5	-45	179.3	171.4	0	0	0	0	110.7	L69 V72 A73 L79 V417 H423 L424 E425	L69-V421 HydrophobicContact CD1-CG2 3.72Å; V72-V421 HydrophobicContact CB-CG2 4.26Å; V72-V421 HydrophobicContact CG1-CB 3.96Å; V72-V421 HydrophobicContact CG1-CG1 3.93Å; V72-V421 HydrophobicContact CG1-CG2 3.84Å; A73-V421 HydrophobicContact CB-CG2 4.33Å; L79-V421 HydrophobicContact CD1-CG1 3.89Å; V417-V421 WeakPolarHBondContact O-CG2 3.3Å; V417-V421 PolarHBondContact O-N 3.3Å; V421-H423 PolarHBondContact O-N 3.06Å; V421-L424 CarbonylContact O-C 3.34Å; V421-L424 WeakPolarHBondContact O-CB 3.34Å; V421-L424 PolarHBondContact O-N 2.91Å; V421-L424 VanDerWaalsContact O-N 3.11Å; V421-E425 HydrophobicContact CG1-CG 4.14Å; V421-E425 VanDerWaalsContact O-CG 3.31Å; V421-E425 WeakPolarHBondContact O-CG 3.11Å; V421-E425 PolarHBondContact O-N 2.62Å
422	R	96.6	Very high	96	Very high	87 Å²	87	34.5 Å²	34.5	33%	0.328	19%	0.193	S	C	.	.	H	α-helix	trans	-57.7	-46.4	177.3	-176.6	174.1	57.7	76.8	-1.3	113	V418 S419 L420 L424 E425 E426 E446	V418-R422 WeakPolarHBondContact O-CB 3.21Å; V418-R422 PolarHBondContact O-N 3.4Å; V418-R422 VanDerWaalsContact O-N 3.08Å; S419-R422 PolarHBondContact O-N 3.46Å; L420-R422 VanDerWaalsContact C-N 3.3Å; L420-R422 PolarHBondContact O-N 3.45Å; R422-L424 VanDerWaalsContact C-N 3.3Å; R422-L424 PolarHBondContact O-N 3.36Å; R422-E425 WeakPolarHBondContact O-CB 3.07Å; R422-E425 PolarHBondContact O-N 2.95Å; R422-E426 IonicContact CZ-OE1 3.45Å; R422-E426 IonicContact NH1-OE1 3.68Å; R422-E426 PolarHBondContact NH1-OE1 2.84Å; R422-E426 WeakPolarHBondContact O-CG 3.18Å; R422-E426 PolarHBondContact O-N 2.93Å; R422-E446 IonicContact CZ-OE2 2.72Å; R422-E446 IonicContact NH2-OE1 3.64Å; R422-E446 PolarHBondContact NH2-OE1 3.21Å; R422-E446 IonicContact NH2-OE2 3.55Å; R422-E446 PolarHBondContact NH2-OE2 2.71Å
423	H	97.3	Very high	96	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.046	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-31.2	177.4	-71.1	91.1	0	0	0	112.5	S419 L420 V421 E426 A427 E446	S419-H423 PolarHBondContact O-N 3.43Å; S419-H423 VanDerWaalsContact O-N 3.09Å; S419-H423 PolarHBondContact O-ND1 3.4Å; L420-H423 PolarHBondContact O-N 3.49Å; V421-H423 PolarHBondContact O-N 3.06Å; H423-E426 IonicContact CD2-OE2 2.88Å; H423-A427 WeakPolarHBondContact O-CB 3.37Å; H423-A427 PolarHBondContact O-N 2.86Å; H423-E446 IonicContact CE1-OE2 2.78Å; H423-E446 PolarHBondContact CE1-OE2 3.33Å; H423-E446 VanDerWaalsContact CE1-OE2 3.3Å; H423-E446 IonicContact NE2-OE2 2.7Å
424	L	97.3	Very high	95.9	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-69.1	-38.4	172.3	-64	179.5	0	0	0	111.7	I57 L79 L222 L420 V421 R422 A427 V428 I434 L440	I57-L424 HydrophobicContact CD1-CD1 4.28Å; L79-L424 HydrophobicContact CD1-CB 4.13Å; L79-L424 HydrophobicContact CD1-CD1 4.35Å; L79-L424 HydrophobicContact CD2-CB 4.21Å; L222-L424 HydrophobicContact CD2-CD1 3.74Å; L222-L424 HydrophobicContact CD2-CD2 3.65Å; L222-L424 HydrophobicContact CD2-CG 4.35Å; L420-L424 HydrophobicContact CD1-CD1 4.27Å; L420-L424 HydrophobicContact CD1-CD2 4.39Å; L420-L424 HydrophobicContact CD1-CG 4.13Å; L420-L424 HydrophobicContact CG-CD1 4.07Å; L420-L424 HydrophobicContact CG-CG 4.33Å; L420-L424 VanDerWaalsContact O-CG 3.28Å; L420-L424 WeakPolarHBondContact O-CG 3.35Å; L420-L424 PolarHBondContact O-N 2.83Å; V421-L424 CarbonylContact O-C 3.34Å; V421-L424 WeakPolarHBondContact O-CB 3.34Å; V421-L424 PolarHBondContact O-N 2.91Å; V421-L424 VanDerWaalsContact O-N 3.11Å; R422-L424 VanDerWaalsContact C-N 3.3Å; R422-L424 PolarHBondContact O-N 3.36Å; L424-A427 WeakPolarHBondContact O-CB 3.14Å; L424-A427 PolarHBondContact O-N 2.85Å; L424-V428 WeakPolarHBondContact O-CG2 3.45Å; L424-V428 PolarHBondContact O-N 3.25Å; L424-I434 HydrophobicContact CD2-CB 4.15Å; L424-I434 VanDerWaalsContact CD2-O 3.25Å; L424-I434 WeakPolarHBondContact CD2-O 3.46Å; L424-L440 HydrophobicContact CD2-CD2 4.32Å
425	E	96.2	Very high	95.7	Very high	49 Å²	49	37.9 Å²	37.9	23%	0.229	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-45.5	173.3	-68.8	-179.2	140	0	0	111.3	S76 F78 L79 V421 R422 A427 V428 F429	S76-E425 WeakPolarHBondContact CB-OE1 3.26Å; S76-E425 WeakPolarHBondContact OG-CG 3.29Å; S76-E425 PolarHBondContact OG-OE1 2.84Å; F78-E425 HydrophobicContact CB-CB 4.28Å; F78-E425 HydrophobicContact CB-CG 4.13Å; F78-E425 HydrophobicContact CD2-CB 3.79Å; F78-E425 HydrophobicContact CD2-CG 3.9Å; F78-E425 HydrophobicContact CG-CB 4.32Å; F78-E425 HydrophobicContact CG-CG 4.45Å; L79-E425 HydrophobicContact CG-CG 4.49Å; V421-E425 HydrophobicContact CG1-CG 4.14Å; V421-E425 VanDerWaalsContact O-CG 3.31Å; V421-E425 WeakPolarHBondContact O-CG 3.11Å; V421-E425 PolarHBondContact O-N 2.62Å; R422-E425 WeakPolarHBondContact O-CB 3.07Å; R422-E425 PolarHBondContact O-N 2.95Å; E425-A427 VanDerWaalsContact C-N 3.32Å; E425-A427 PolarHBondContact O-N 2.81Å; E425-V428 PolarHBondContact O-N 3.49Å; E425-F429 VanDerWaalsContact O-CB 3.3Å; E425-F429 WeakPolarHBondContact O-CB 3.34Å; E425-F429 PolarHBondContact O-N 3.04Å
426	E	96.1	Very high	95.6	Very high	66 Å²	66	38.7 Å²	38.7	31%	0.308	21%	0.214	S	C	.	.	H	α-helix	trans	-60.3	-40.7	174.9	-71.1	169.6	-163.3	0	0	111.8	R422 H423 F429 H430 Y439	R422-E426 IonicContact CZ-OE1 3.45Å; R422-E426 IonicContact NH1-OE1 3.68Å; R422-E426 PolarHBondContact NH1-OE1 2.84Å; R422-E426 WeakPolarHBondContact O-CG 3.18Å; R422-E426 PolarHBondContact O-N 2.93Å; H423-E426 IonicContact CD2-OE2 2.88Å; E426-F429 PolarHBondContact O-N 2.68Å; E426-H430 PolarHBondContact O-N 3.43Å; E426-Y439 HydrophobicContact CB-CD1 4.24Å; E426-Y439 HydrophobicContact CB-CE1 4.08Å
427	A	95.8	Very high	95.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-48.2	174.8	0	0	0	0	0	111.5	H423 L424 E425 F429 H430 G431 A432 Y439	H423-A427 WeakPolarHBondContact O-CB 3.37Å; H423-A427 PolarHBondContact O-N 2.86Å; L424-A427 WeakPolarHBondContact O-CB 3.14Å; L424-A427 PolarHBondContact O-N 2.85Å; E425-A427 VanDerWaalsContact C-N 3.32Å; E425-A427 PolarHBondContact O-N 2.81Å; A427-F429 PolarHBondContact O-N 3.26Å; A427-H430 PolarHBondContact O-N 3.08Å; A427-G431 PolarHBondContact O-N 3.11Å; A427-A432 HydrophobicContact CB-CB 4.32Å; A427-A432 WeakPolarHBondContact O-CA 3.27Å; A427-A432 WeakPolarHBondContact O-CB 3.27Å; A427-A432 PolarHBondContact O-N 2.73Å; A427-Y439 HydrophobicContact CB-CD1 3.87Å; A427-Y439 HydrophobicContact CB-CD2 3.78Å; A427-Y439 HydrophobicContact CB-CE1 4.1Å; A427-Y439 HydrophobicContact CB-CE2 4.06Å; A427-Y439 HydrophobicContact CB-CG 3.69Å
428	V	95.6	Very high	95.2	Very high	39 Å²	39	43.8 Å²	43.8	24%	0.236	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-41.6	177.8	173.9	0	0	0	0	111.2	F78 L79 L424 E425 H430 G431 I434	F78-V428 HydrophobicContact CB-CB 4.32Å; F78-V428 HydrophobicContact CB-CG1 4.13Å; L79-V428 HydrophobicContact CD2-CG2 4.04Å; L424-V428 WeakPolarHBondContact O-CG2 3.45Å; L424-V428 PolarHBondContact O-N 3.25Å; E425-V428 PolarHBondContact O-N 3.49Å; V428-H430 VanDerWaalsContact C-N 3.33Å; V428-H430 PolarHBondContact O-N 3.21Å; V428-G431 PolarHBondContact O-N 3.23Å; V428-I434 HydrophobicContact CG2-CG2 3.49Å; V428-I434 VanDerWaalsContact CG2-CG2 3.49Å
429	F	94.5	Very high	95.1	Very high	143 Å²	143	42.2 Å²	42.2	63%	0.627	24%	0.236	S	C	*	.	H	α-helix	trans	-62.1	-39.2	179.4	-178.6	-106.8	0	0	0	112.2	F78 E425 E426 A427 G431	F78-F429 HydrophobicContact CE1-CB 4.35Å; F78-F429 AromaticContact CE1-CD2 3.79Å; F78-F429 HydrophobicContact CE1-CD2 3.79Å; F78-F429 HydrophobicContact CZ-CD2 4.09Å; E425-F429 VanDerWaalsContact O-CB 3.3Å; E425-F429 WeakPolarHBondContact O-CB 3.34Å; E425-F429 PolarHBondContact O-N 3.04Å; E426-F429 PolarHBondContact O-N 2.68Å; A427-F429 PolarHBondContact O-N 3.26Å; F429-G431 VanDerWaalsContact C-N 3.25Å; F429-G431 PolarHBondContact O-N 3.18Å
430	H	95.4	Very high	95.1	Very high	125 Å²	125	42.1 Å²	42.1	58%	0.579	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	1.1	174.8	-63.6	169.1	0	0	0	113.8	E426 A427 V428 A432 Y439	E426-H430 PolarHBondContact O-N 3.43Å; A427-H430 PolarHBondContact O-N 3.08Å; V428-H430 VanDerWaalsContact C-N 3.33Å; V428-H430 PolarHBondContact O-N 3.21Å; H430-A432 VanDerWaalsContact C-N 3.26Å; H430-A432 PolarHBondContact O-N 3.44Å; H430-Y439 WeakPolarHBondContact CB-OH 3.27Å; H430-Y439 AromaticContact ND1-CE1 3.93Å; H430-Y439 AromaticContact ND1-CZ 3.83Å; H430-Y439 PolarHBondContact ND1-OH 2.91Å
431	G	93.6	Very high	95	Very high	69 Å²	69	47.4 Å²	47.4	71%	0.711	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	14.7	-177.7	0	0	0	0	0	114.4	A427 V428 F429	A427-G431 PolarHBondContact O-N 3.11Å; V428-G431 PolarHBondContact O-N 3.23Å; F429-G431 VanDerWaalsContact C-N 3.25Å; F429-G431 PolarHBondContact O-N 3.18Å
432	A	93.2	Very high	94.9	Very high	33 Å²	33	51 Å²	51	27%	0.273	28%	0.277	S	S	.	.			trans	-79.1	157.8	174.6	0	0	0	0	0	111.5	A427 H430 Y439	A427-A432 HydrophobicContact CB-CB 4.32Å; A427-A432 WeakPolarHBondContact O-CA 3.27Å; A427-A432 WeakPolarHBondContact O-CB 3.27Å; A427-A432 PolarHBondContact O-N 2.73Å; H430-A432 VanDerWaalsContact C-N 3.26Å; H430-A432 PolarHBondContact O-N 3.44Å; A432-Y439 HydrophobicContact CB-CD2 4.26Å; A432-Y439 HydrophobicContact CB-CE2 3.49Å; A432-Y439 VanDerWaalsContact CB-CE2 3.49Å
433	N	93.2	Very high	94.9	Very high	65 Å²	65	46.9 Å²	46.9	35%	0.348	26%	0.261	S	S	.	.			trans	-69.7	137.4	171.1	-170	-68.4	0	0	0	109.9	D221 R391 G435 S436	D221-N433 PolarHBondContact OD1-ND2 3.29Å; R391-N433 PolarHBondContact NH1-OD1 3.05Å; N433-G435 PolarHBondContact O-N 2.86Å; N433-G435 WeakPolarHBondContact OD1-CA 3.25Å; N433-G435 PolarHBondContact OD1-N 2.89Å; N433-S436 WeakPolarHBondContact O-CB 3.39Å; N433-S436 PolarHBondContact O-N 3.34Å
434	I	93.7	Very high	94.7	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.026	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.1	178	54.9	176.8	0	0	0	113.9	D56 I57 L79 D221 L222 L424 V428 S436	D56-I434 HydrophobicContact CB-CD1 3.85Å; D56-I434 WeakPolarHBondContact O-CD1 3.15Å; I57-I434 HydrophobicContact CD1-CD1 4.3Å; I57-I434 HydrophobicContact CG1-CD1 3.67Å; L79-I434 HydrophobicContact CD2-CG2 4.46Å; D221-I434 HydrophobicContact CB-CD1 4.06Å; D221-I434 HydrophobicContact CB-CG1 3.93Å; L222-I434 HydrophobicContact CB-CD1 4.35Å; L222-I434 HydrophobicContact CB-CG1 4.31Å; L424-I434 HydrophobicContact CD2-CB 4.15Å; L424-I434 VanDerWaalsContact CD2-O 3.25Å; L424-I434 WeakPolarHBondContact CD2-O 3.46Å; V428-I434 HydrophobicContact CG2-CG2 3.49Å; V428-I434 VanDerWaalsContact CG2-CG2 3.49Å; I434-S436 VanDerWaalsContact C-N 3.29Å
435	G	92.8	Very high	94.5	Very high	3 Å²	3	50 Å²	50	3%	0.031	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	7.7	172.2	0	0	0	0	0	114.4	R391 N433 L437	R391-G435 PolarHBondContact N-O 2.85Å; R391-G435 VanDerWaalsContact N-O 3.13Å; N433-G435 PolarHBondContact O-N 2.86Å; N433-G435 WeakPolarHBondContact OD1-CA 3.25Å; N433-G435 PolarHBondContact OD1-N 2.89Å; G435-L437 PolarHBondContact O-N 2.98Å
436	S	92.7	Very high	94.3	Very high	37 Å²	37	50.6 Å²	50.6	26%	0.259	28%	0.281	S	S	.	.			trans	-63.6	123.9	-179.7	177	0	0	0	0	111.5	N433 I434 A438 Y439 L440	N433-S436 WeakPolarHBondContact O-CB 3.39Å; N433-S436 PolarHBondContact O-N 3.34Å; I434-S436 VanDerWaalsContact C-N 3.29Å; S436-A438 PolarHBondContact O-N 2.85Å; S436-A438 VanDerWaalsContact O-N 3.16Å; S436-Y439 PolarHBondContact O-N 2.99Å; S436-L440 WeakPolarHBondContact O-CG 3.44Å; S436-L440 PolarHBondContact O-N 3.12Å
437	L	93.2	Very high	94.2	Very high	53 Å²	53	48.3 Å²	48.3	28%	0.277	27%	0.27	S	S	.	.	H	α-helix	trans	-61.8	-24.7	-179.4	-176.4	60.4	0	0	0	113.1	G435 K441	G435-L437 PolarHBondContact O-N 2.98Å; L437-K441 HydrophobicContact CD1-CD 4.36Å; L437-K441 HydrophobicContact CD1-CG 4.01Å; L437-K441 HydrophobicContact CG-CD 4.02Å; L437-K441 HydrophobicContact CG-CG 4.16Å; L437-K441 VanDerWaalsContact O-CB 3.3Å; L437-K441 WeakPolarHBondContact O-CB 3.29Å; L437-K441 VanDerWaalsContact O-CG 3.23Å; L437-K441 WeakPolarHBondContact O-CG 3.48Å; L437-K441 PolarHBondContact O-N 2.92Å
438	A	93.5	Very high	93.9	Very high	55 Å²	55	50.1 Å²	50.1	46%	0.455	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-56.4	179	0	0	0	0	0	111.3	S436 L440 K441 D442	S436-A438 PolarHBondContact O-N 2.85Å; S436-A438 VanDerWaalsContact O-N 3.16Å; A438-L440 PolarHBondContact O-N 3.39Å; A438-K441 WeakPolarHBondContact O-CB 3.34Å; A438-K441 PolarHBondContact O-N 2.83Å; A438-D442 PolarHBondContact O-N 3.41Å; A438-D442 VanDerWaalsContact O-N 3.12Å
439	Y	95.5	Very high	93.6	Very high	36 Å²	36	55.4 Å²	55.4	14%	0.141	29%	0.294	C	S	.	.	H	α-helix	trans	-67.2	-35.8	179.4	-64.1	-92.6	0	0	0	112.5	E426 A427 H430 A432 S436 K441 D442 Y443	E426-Y439 HydrophobicContact CB-CD1 4.24Å; E426-Y439 HydrophobicContact CB-CE1 4.08Å; A427-Y439 HydrophobicContact CB-CD1 3.87Å; A427-Y439 HydrophobicContact CB-CD2 3.78Å; A427-Y439 HydrophobicContact CB-CE1 4.1Å; A427-Y439 HydrophobicContact CB-CE2 4.06Å; A427-Y439 HydrophobicContact CB-CG 3.69Å; H430-Y439 WeakPolarHBondContact CB-OH 3.27Å; H430-Y439 AromaticContact ND1-CE1 3.93Å; H430-Y439 AromaticContact ND1-CZ 3.83Å; H430-Y439 PolarHBondContact ND1-OH 2.91Å; A432-Y439 HydrophobicContact CB-CD2 4.26Å; A432-Y439 HydrophobicContact CB-CE2 3.49Å; A432-Y439 VanDerWaalsContact CB-CE2 3.49Å; S436-Y439 PolarHBondContact O-N 2.99Å; Y439-K441 VanDerWaalsContact C-N 3.31Å; Y439-K441 PolarHBondContact O-N 2.81Å; Y439-D442 PolarHBondContact O-N 2.84Å; Y439-Y443 PolarHBondContact O-N 2.79Å
440	L	96.3	Very high	93.2	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-67.2	-32.4	176.2	-66.2	179.4	0	0	0	112.6	L222 S388 A389 A393 L420 L424 S436 A438 T444	L222-L440 HydrophobicContact CD1-CD1 4.06Å; L222-L440 HydrophobicContact CD1-CD2 4.24Å; S388-L440 PolarHBondContact OG-O 3.21Å; S388-L440 VanDerWaalsContact OG-O 3.05Å; A389-L440 WeakPolarHBondContact O-CD1 3.36Å; A393-L440 HydrophobicContact CB-CD2 4.18Å; L420-L440 HydrophobicContact CD1-CD2 3.98Å; L424-L440 HydrophobicContact CD2-CD2 4.32Å; S436-L440 WeakPolarHBondContact O-CG 3.44Å; S436-L440 PolarHBondContact O-N 3.12Å; A438-L440 PolarHBondContact O-N 3.39Å; L440-T444 PolarHBondContact O-N 3.02Å; L440-T444 PolarHBondContact O-OG1 3.24Å
441	K	94.7	Very high	92.8	Very high	111 Å²	111	44 Å²	44	48%	0.483	24%	0.243	S	C	.	.	H	α-helix	trans	-68.9	-39.7	171.4	-81.7	174.9	175.1	176.9	0	111.6	L437 A438 Y439 Y443 T444 N445	L437-K441 HydrophobicContact CD1-CD 4.36Å; L437-K441 HydrophobicContact CD1-CG 4.01Å; L437-K441 HydrophobicContact CG-CD 4.02Å; L437-K441 HydrophobicContact CG-CG 4.16Å; L437-K441 VanDerWaalsContact O-CB 3.3Å; L437-K441 WeakPolarHBondContact O-CB 3.29Å; L437-K441 VanDerWaalsContact O-CG 3.23Å; L437-K441 WeakPolarHBondContact O-CG 3.48Å; L437-K441 PolarHBondContact O-N 2.92Å; A438-K441 WeakPolarHBondContact O-CB 3.34Å; A438-K441 PolarHBondContact O-N 2.83Å; Y439-K441 VanDerWaalsContact C-N 3.31Å; Y439-K441 PolarHBondContact O-N 2.81Å; K441-Y443 VanDerWaalsContact C-N 3.35Å; K441-T444 WeakPolarHBondContact O-CB 3.48Å; K441-T444 PolarHBondContact O-N 3.22Å; K441-T444 VanDerWaalsContact O-N 3.13Å; K441-N445 WeakPolarHBondContact O-CB 3.39Å; K441-N445 PolarHBondContact O-N 3.44Å; K441-N445 PolarHBondContact O-ND2 2.61Å
442	D	95	Very high	92.5	Very high	80 Å²	80	43.2 Å²	43.2	43%	0.428	23%	0.225	S	C	.	.	H	α-helix	trans	-62.4	-44.6	176.5	-66	-27.2	0	0	0	111	A438 Y439 T444 N445 E446	A438-D442 PolarHBondContact O-N 3.41Å; A438-D442 VanDerWaalsContact O-N 3.12Å; Y439-D442 PolarHBondContact O-N 2.84Å; D442-T444 PolarHBondContact O-N 2.99Å; D442-N445 PolarHBondContact O-N 3.48Å; D442-E446 WeakPolarHBondContact O-CB 3.05Å; D442-E446 PolarHBondContact O-N 3.39Å
443	Y	96.4	Very high	91.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-53.4	-50.6	167.9	159.9	-105	0	0	0	112.1	L394 D416 L420 Y439 K441 N445 E446 R447	L394-Y443 PolarHBondContact O-OH 3.4Å; D416-Y443 HydrophobicContact CB-CE2 4.28Å; D416-Y443 WeakPolarHBondContact CB-OH 3.4Å; D416-Y443 WeakPolarHBondContact O-CE2 3.38Å; L420-Y443 HydrophobicContact CB-CD2 3.86Å; L420-Y443 HydrophobicContact CB-CE2 3.73Å; L420-Y443 HydrophobicContact CB-CG 4.46Å; L420-Y443 HydrophobicContact CD1-CD1 4.11Å; L420-Y443 HydrophobicContact CD1-CD2 4.34Å; L420-Y443 HydrophobicContact CD1-CE1 4.42Å; L420-Y443 HydrophobicContact CD1-CG 4.08Å; Y439-Y443 PolarHBondContact O-N 2.79Å; K441-Y443 VanDerWaalsContact C-N 3.35Å; Y443-N445 VanDerWaalsContact C-N 3.34Å; Y443-N445 PolarHBondContact O-N 3.11Å; Y443-E446 PolarHBondContact O-N 2.96Å; Y443-R447 HydrophobicContact CD2-CG 3.72Å; Y443-R447 HydrophobicContact CE2-CB 4.43Å; Y443-R447 HydrophobicContact CE2-CG 3.31Å; Y443-R447 WeakPolarHBondContact O-CG 3.49Å; Y443-R447 PolarHBondContact O-N 3.04Å
444	T	94.7	Very high	91.5	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-44.8	-179.8	-59.2	0	0	0	0	111.4	Y387 S388 L440 K441 D442 R447 Q448	Y387-T444 HydrophobicContact CG-CG2 4.36Å; S388-T444 WeakPolarHBondContact CB-OG1 3.31Å; S388-T444 PolarHBondContact N-OG1 3.43Å; S388-T444 PolarHBondContact OG-OG1 2.93Å; L440-T444 PolarHBondContact O-N 3.02Å; L440-T444 PolarHBondContact O-OG1 3.24Å; K441-T444 WeakPolarHBondContact O-CB 3.48Å; K441-T444 PolarHBondContact O-N 3.22Å; K441-T444 VanDerWaalsContact O-N 3.13Å; D442-T444 PolarHBondContact O-N 2.99Å; T444-R447 PolarHBondContact O-N 3.36Å; T444-Q448 HydrophobicContact CG2-CG 4.18Å; T444-Q448 VanDerWaalsContact O-CB 3.28Å; T444-Q448 WeakPolarHBondContact O-CB 3.4Å; T444-Q448 VanDerWaalsContact O-CG 3.27Å; T444-Q448 WeakPolarHBondContact O-CG 3.33Å; T444-Q448 PolarHBondContact O-N 3.08Å
445	N	93.5	Very high	91.1	Very high	77 Å²	77	39.8 Å²	39.8	41%	0.412	20%	0.204	S	C	.	.	H	α-helix	trans	-63.3	-45.4	-179.4	-70.7	-26.8	0	0	0	111.3	K441 D442 Y443 R449	K441-N445 WeakPolarHBondContact O-CB 3.39Å; K441-N445 PolarHBondContact O-N 3.44Å; K441-N445 PolarHBondContact O-ND2 2.61Å; D442-N445 PolarHBondContact O-N 3.48Å; Y443-N445 VanDerWaalsContact C-N 3.34Å; Y443-N445 PolarHBondContact O-N 3.11Å; N445-R449 WeakPolarHBondContact O-CB 3.33Å; N445-R449 WeakPolarHBondContact O-CD 3.43Å; N445-R449 WeakPolarHBondContact O-CG 3.29Å; N445-R449 PolarHBondContact O-N 2.81Å; N445-R449 VanDerWaalsContact O-N 3.16Å
446	E	92	Very high	90.6	Very high	61 Å²	61	41.3 Å²	41.3	29%	0.285	22%	0.219	S	C	.	.	H	α-helix	trans	-60.6	-50.9	176.7	179.4	173.4	127	0	0	111.1	S419 R422 H423 D442 Y443 R449 I450	S419-E446 WeakPolarHBondContact CB-OE1 3.39Å; S419-E446 VanDerWaalsContact OG-CD 3.3Å; S419-E446 PolarHBondContact OG-OE1 3.01Å; R422-E446 IonicContact CZ-OE2 2.72Å; R422-E446 IonicContact NH2-OE1 3.64Å; R422-E446 PolarHBondContact NH2-OE1 3.21Å; R422-E446 IonicContact NH2-OE2 3.55Å; R422-E446 PolarHBondContact NH2-OE2 2.71Å; H423-E446 IonicContact CE1-OE2 2.78Å; H423-E446 PolarHBondContact CE1-OE2 3.33Å; H423-E446 VanDerWaalsContact CE1-OE2 3.3Å; H423-E446 IonicContact NE2-OE2 2.7Å; D442-E446 WeakPolarHBondContact O-CB 3.05Å; D442-E446 PolarHBondContact O-N 3.39Å; Y443-E446 PolarHBondContact O-N 2.96Å; E446-R449 PolarHBondContact O-N 3.14Å; E446-I450 HydrophobicContact CG-CD1 4.37Å; E446-I450 WeakPolarHBondContact O-CG1 3.23Å; E446-I450 PolarHBondContact O-N 3.38Å
447	R	92.6	Very high	90	Very high	18 Å²	18	40.7 Å²	40.7	7%	0.068	21%	0.214	C	C	.	.	H	α-helix	trans	-68.9	-38.3	-175.9	-64.1	-47.5	-61.6	173.5	-3.4	112.9	Y387 L412 G415 D416 S419 Y443 T444 R449 I450 I451	Y387-R447 HydrophobicContact CD2-CB 3.77Å; Y387-R447 HydrophobicContact CE2-CB 3.68Å; L412-R447 PolarHBondContact O-NH2 3.34Å; G415-R447 PolarHBondContact O-NH1 3.25Å; D416-R447 IonicContact OD1-CZ 3.05Å; D416-R447 IonicContact OD1-NE 3.39Å; D416-R447 PolarHBondContact OD1-NE 3.01Å; D416-R447 IonicContact OD1-NH2 2.61Å; D416-R447 PolarHBondContact OD1-NH2 2.9Å; S419-R447 VanDerWaalsContact CB-CD 3.49Å; Y443-R447 HydrophobicContact CD2-CG 3.72Å; Y443-R447 HydrophobicContact CE2-CB 4.43Å; Y443-R447 HydrophobicContact CE2-CG 3.31Å; Y443-R447 WeakPolarHBondContact O-CG 3.49Å; Y443-R447 PolarHBondContact O-N 3.04Å; T444-R447 PolarHBondContact O-N 3.36Å; R447-R449 PolarHBondContact O-N 3.14Å; R447-I450 VanDerWaalsContact NH1-CD1 3.34Å; R447-I450 WeakPolarHBondContact O-CB 3.32Å; R447-I450 PolarHBondContact O-N 2.88Å; R447-I450 VanDerWaalsContact O-N 3.14Å; R447-I451 HydrophobicContact CB-CD1 4.17Å; R447-I451 WeakPolarHBondContact O-CB 3.23Å; R447-I451 WeakPolarHBondContact O-CG1 3.42Å; R447-I451 PolarHBondContact O-N 2.66Å
448	Q	89.4	Confident	89.5	Confident	39 Å²	39	38.2 Å²	38.2	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-66.4	-35.8	176.6	-74.7	-175.7	-18.9	0	0	112.7	T385 Y387 T444 I450 I451 V452	T385-Q448 PolarHBondContact O-NE2 3.18Å; Y387-Q448 HydrophobicContact CD1-CG 4.41Å; Y387-Q448 HydrophobicContact CD2-CG 4.43Å; Y387-Q448 HydrophobicContact CE1-CG 4.02Å; Y387-Q448 HydrophobicContact CE2-CG 4.06Å; T444-Q448 HydrophobicContact CG2-CG 4.18Å; T444-Q448 VanDerWaalsContact O-CB 3.28Å; T444-Q448 WeakPolarHBondContact O-CB 3.4Å; T444-Q448 VanDerWaalsContact O-CG 3.27Å; T444-Q448 WeakPolarHBondContact O-CG 3.33Å; T444-Q448 PolarHBondContact O-N 3.08Å; Q448-I450 PolarHBondContact O-N 2.97Å; Q448-I451 PolarHBondContact O-N 3.47Å; Q448-V452 HydrophobicContact CB-CG2 4.18Å; Q448-V452 VanDerWaalsContact O-CB 3.27Å; Q448-V452 WeakPolarHBondContact O-CB 3.32Å; Q448-V452 WeakPolarHBondContact O-CG2 3.38Å; Q448-V452 PolarHBondContact O-N 2.7Å
449	R	88.8	Confident	89	Confident	149 Å²	149	36.8 Å²	36.8	56%	0.562	19%	0.185	S	C	*	.	H	α-helix	trans	-60.6	-25	173.7	-75	169.2	-175.2	-158.1	2.4	112.8	N445 E446 R447 P453	N445-R449 WeakPolarHBondContact O-CB 3.33Å; N445-R449 WeakPolarHBondContact O-CD 3.43Å; N445-R449 WeakPolarHBondContact O-CG 3.29Å; N445-R449 PolarHBondContact O-N 2.81Å; N445-R449 VanDerWaalsContact O-N 3.16Å; E446-R449 PolarHBondContact O-N 3.14Å; R447-R449 PolarHBondContact O-N 3.14Å; R449-P453 WeakPolarHBondContact O-CD 3.38Å; R449-P453 WeakPolarHBondContact O-CG 3.46Å
450	I	86.7	Confident	88.2	Confident	29 Å²	29	36.9 Å²	36.9	15%	0.149	19%	0.188	C	C	.	.	H	α-helix	trans	-89.2	-51.5	177.9	-58.8	172.4	0	0	0	110.7	Y343 F344 E446 R447 Q448	Y343-I450 HydrophobicContact CE1-CB 4.23Å; Y343-I450 HydrophobicContact CE1-CG2 3.42Å; Y343-I450 VanDerWaalsContact CE1-CG2 3.42Å; Y343-I450 VanDerWaalsContact OH-CA 3.27Å; Y343-I450 WeakPolarHBondContact OH-CA 3.49Å; Y343-I450 WeakPolarHBondContact OH-CB 3.36Å; Y343-I450 WeakPolarHBondContact OH-CG1 3.27Å; F344-I450 HydrophobicContact CE1-CG2 4.5Å; F344-I450 HydrophobicContact CZ-CG2 4.19Å; E446-I450 HydrophobicContact CG-CD1 4.37Å; E446-I450 WeakPolarHBondContact O-CG1 3.23Å; E446-I450 PolarHBondContact O-N 3.38Å; R447-I450 VanDerWaalsContact NH1-CD1 3.34Å; R447-I450 WeakPolarHBondContact O-CB 3.32Å; R447-I450 PolarHBondContact O-N 2.88Å; R447-I450 VanDerWaalsContact O-N 3.14Å; Q448-I450 PolarHBondContact O-N 2.97Å
451	I	88	Confident	87.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-80.4	-36.5	-167.5	-70.1	155.2	0	0	0	112.6	Y387 H400 L412 D416 R447 Q448 L454 A455	Y387-I451 HydrophobicContact CE2-CD1 3.75Å; Y387-I451 VanDerWaalsContact OH-CG2 3.31Å; Y387-I451 WeakPolarHBondContact OH-CG2 3.25Å; H400-I451 HydrophobicContact CB-CG2 3.9Å; H400-I451 VanDerWaalsContact CD2-CD1 3.5Å; H400-I451 WeakPolarHBondContact CD2-CD1 3.26Å; H400-I451 VanDerWaalsContact NE2-CD1 3.35Å; H400-I451 WeakPolarHBondContact NE2-CD1 3.13Å; L412-I451 HydrophobicContact CD1-CG1 4.29Å; L412-I451 HydrophobicContact CD2-CG1 3.95Å; D416-I451 WeakPolarHBondContact OD1-CD1 2.82Å; R447-I451 HydrophobicContact CB-CD1 4.17Å; R447-I451 WeakPolarHBondContact O-CB 3.23Å; R447-I451 WeakPolarHBondContact O-CG1 3.42Å; R447-I451 PolarHBondContact O-N 2.66Å; Q448-I451 PolarHBondContact O-N 3.47Å; I451-L454 PolarHBondContact O-N 3.29Å; I451-A455 WeakPolarHBondContact O-CB 3.33Å; I451-A455 PolarHBondContact O-N 2.83Å
452	V	86.1	Confident	86.5	Confident	53 Å²	53	32 Å²	32	32%	0.321	17%	0.167	S	C	.	.	H	α-helix	trans	-65.1	-49.2	-176.4	173.7	0	0	0	0	111.9	H383 Q448 L454 A455 G456 I524	H383-V452 WeakPolarHBondContact NE2-CG2 3.06Å; Q448-V452 HydrophobicContact CB-CG2 4.18Å; Q448-V452 VanDerWaalsContact O-CB 3.27Å; Q448-V452 WeakPolarHBondContact O-CB 3.32Å; Q448-V452 WeakPolarHBondContact O-CG2 3.38Å; Q448-V452 PolarHBondContact O-N 2.7Å; V452-L454 VanDerWaalsContact C-N 3.35Å; V452-L454 PolarHBondContact O-N 3.14Å; V452-A455 PolarHBondContact O-N 2.84Å; V452-G456 PolarHBondContact O-N 3.27Å; V452-I524 HydrophobicContact CG1-CD1 4.41Å
453	P	82.1	Confident	85.5	Confident	20 Å²	20	32.1 Å²	32.1	13%	0.13	17%	0.167	C	C	.	.	H	α-helix	trans	-55.6	-48.1	173.8	-30.8	40.5	0	0	0	112.7	R449 A455 G456 T457 V518	R449-P453 WeakPolarHBondContact O-CD 3.38Å; R449-P453 WeakPolarHBondContact O-CG 3.46Å; P453-A455 PolarHBondContact O-N 3.03Å; P453-G456 PolarHBondContact O-N 3.45Å; P453-T457 PolarHBondContact O-N 3.09Å; P453-T457 PolarHBondContact O-OG1 2.78Å; P453-T457 VanDerWaalsContact O-OG1 3.09Å; P453-V518 HydrophobicContact CB-CG1 3.87Å
454	L	84.1	Confident	84.3	Confident	7 Å²	7	34.5 Å²	34.5	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-59	-50.5	179.1	171.9	67.8	0	0	0	112.1	V340 F344 I402 L412 I451 V452 G456 T457 L458	V340-L454 HydrophobicContact CB-CD1 4.11Å; V340-L454 HydrophobicContact CG1-CD1 3.36Å; V340-L454 HydrophobicContact CG2-CD1 3.78Å; F344-L454 HydrophobicContact CE2-CD1 3.83Å; F344-L454 HydrophobicContact CE2-CD2 3.4Å; F344-L454 HydrophobicContact CE2-CG 4.1Å; F344-L454 HydrophobicContact CZ-CD2 3.6Å; I402-L454 HydrophobicContact CD1-CD2 4.41Å; L412-L454 HydrophobicContact CD1-CD2 3.73Å; L412-L454 HydrophobicContact CD2-CD2 3.7Å; L412-L454 HydrophobicContact CG-CD2 4.16Å; I451-L454 PolarHBondContact O-N 3.29Å; V452-L454 VanDerWaalsContact C-N 3.35Å; V452-L454 PolarHBondContact O-N 3.14Å; L454-G456 VanDerWaalsContact C-N 3.27Å; L454-G456 PolarHBondContact O-N 2.86Å; L454-T457 PolarHBondContact O-N 3.32Å; L454-T457 VanDerWaalsContact O-N 3.15Å; L454-L458 HydrophobicContact CD1-CD1 4.05Å; L454-L458 HydrophobicContact CD1-CG 4.07Å; L454-L458 HydrophobicContact CG-CD1 4.14Å; L454-L458 HydrophobicContact CG-CG 4.45Å; L454-L458 WeakPolarHBondContact O-CG 3.38Å; L454-L458 PolarHBondContact O-N 3.38Å
455	A	85	Confident	83.1	Confident	4 Å²	4	35 Å²	35	3%	0.033	18%	0.181	C	C	.	.	H	α-helix	trans	-55.9	-46.3	178.1	0	0	0	0	0	110.7	F381 I402 I451 V452 P453 T457 L458 E459	F381-A455 HydrophobicContact CE2-CB 3.72Å; F381-A455 HydrophobicContact CZ-CB 4.14Å; I402-A455 HydrophobicContact CG2-CB 4.21Å; I451-A455 WeakPolarHBondContact O-CB 3.33Å; I451-A455 PolarHBondContact O-N 2.83Å; V452-A455 PolarHBondContact O-N 2.84Å; P453-A455 PolarHBondContact O-N 3.03Å; A455-T457 PolarHBondContact O-N 3.41Å; A455-L458 PolarHBondContact O-N 2.84Å; A455-E459 WeakPolarHBondContact O-CB 3.47Å; A455-E459 VanDerWaalsContact O-CG 3.27Å; A455-E459 WeakPolarHBondContact O-CG 3.3Å; A455-E459 PolarHBondContact O-N 3.34Å
456	G	82.5	Confident	81.9	Confident	35 Å²	35	32.7 Å²	32.7	36%	0.361	17%	0.171	S	C	.	.	H	α-helix	trans	-58.7	-43.9	175.5	0	0	0	0	0	113	V452 P453 L454 L460	V452-G456 PolarHBondContact O-N 3.27Å; P453-G456 PolarHBondContact O-N 3.45Å; L454-G456 VanDerWaalsContact C-N 3.27Å; L454-G456 PolarHBondContact O-N 2.86Å; G456-L460 WeakPolarHBondContact O-CB 3.4Å; G456-L460 PolarHBondContact O-N 2.99Å
457	T	79.7	Confident	80	Confident	23 Å²	23	31.8 Å²	31.8	14%	0.141	17%	0.17	C	C	.	.	H	α-helix	trans	-67	-42.3	178.7	-56.1	0	0	0	0	112.4	C336 V340 P453 L454 A455 L460 I461	C336-T457 HydrophobicContact CB-CG2 3.84Å; V340-T457 HydrophobicContact CG2-CG2 3.42Å; V340-T457 VanDerWaalsContact CG2-CG2 3.42Å; P453-T457 PolarHBondContact O-N 3.09Å; P453-T457 PolarHBondContact O-OG1 2.78Å; P453-T457 VanDerWaalsContact O-OG1 3.09Å; L454-T457 PolarHBondContact O-N 3.32Å; L454-T457 VanDerWaalsContact O-N 3.15Å; A455-T457 PolarHBondContact O-N 3.41Å; T457-L460 WeakPolarHBondContact O-CB 3.13Å; T457-L460 PolarHBondContact O-N 2.9Å; T457-I461 HydrophobicContact CG2-CD1 4.09Å; T457-I461 WeakPolarHBondContact O-CG1 3.3Å; T457-I461 PolarHBondContact O-N 2.83Å
458	L	83.1	Confident	77.6	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-40.3	177.8	-68	180	0	0	0	111.9	V340 I402 L405 A406 L454 A455 L460 I461 N462	V340-L458 HydrophobicContact CG1-CD2 4.19Å; V340-L458 HydrophobicContact CG2-CD2 4.45Å; I402-L458 HydrophobicContact CB-CD1 4.5Å; I402-L458 HydrophobicContact CD1-CD1 3.86Å; L405-L458 HydrophobicContact CB-CD2 4.02Å; L405-L458 HydrophobicContact CD1-CB 4.48Å; L405-L458 WeakPolarHBondContact CD1-O 3.43Å; A406-L458 HydrophobicContact CB-CD2 4.22Å; L454-L458 HydrophobicContact CD1-CD1 4.05Å; L454-L458 HydrophobicContact CD1-CG 4.07Å; L454-L458 HydrophobicContact CG-CD1 4.14Å; L454-L458 HydrophobicContact CG-CG 4.45Å; L454-L458 WeakPolarHBondContact O-CG 3.38Å; L454-L458 PolarHBondContact O-N 3.38Å; A455-L458 PolarHBondContact O-N 2.84Å; L458-L460 VanDerWaalsContact C-N 3.35Å; L458-I461 PolarHBondContact O-N 2.81Å; L458-N462 WeakPolarHBondContact O-CB 3.32Å; L458-N462 PolarHBondContact O-N 2.74Å
459	E	82.9	Confident	75.2	Confident	25 Å²	25	40.2 Å²	40.2	12%	0.117	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-39.2	174.4	-72.3	-67.6	137.7	0	0	111.7	W244 H246 F381 L403 A455 N462 L463	W244-E459 HydrophobicContact CZ2-CB 4.5Å; W244-E459 HydrophobicContact CZ2-CG 3.85Å; W244-E459 VanDerWaalsContact CZ2-OE2 3.24Å; W244-E459 WeakPolarHBondContact CZ2-OE2 3.46Å; W244-E459 PolarHBondContact NE1-OE2 2.75Å; H246-E459 IonicContact CE1-OE1 2.95Å; H246-E459 IonicContact CE1-OE2 3.36Å; H246-E459 PolarHBondContact CE1-OE2 3.23Å; H246-E459 IonicContact NE2-OE1 2.62Å; H246-E459 PolarHBondContact NE2-OE1 3.37Å; H246-E459 IonicContact NE2-OE2 3.61Å; H246-E459 PolarHBondContact NE2-OE2 2.8Å; F381-E459 WeakPolarHBondContact CB-OE1 3.34Å; F381-E459 HydrophobicContact CD2-CG 4.26Å; F381-E459 HydrophobicContact CG-CG 4.41Å; L403-E459 WeakPolarHBondContact CD1-OE1 3.31Å; L403-E459 VanDerWaalsContact CG-OE1 3.3Å; L403-E459 WeakPolarHBondContact CG-OE1 3.47Å; A455-E459 WeakPolarHBondContact O-CB 3.47Å; A455-E459 VanDerWaalsContact O-CG 3.27Å; A455-E459 WeakPolarHBondContact O-CG 3.3Å; A455-E459 PolarHBondContact O-N 3.34Å; E459-N462 PolarHBondContact O-N 2.91Å; E459-L463 VanDerWaalsContact O-CB 3.29Å; E459-L463 WeakPolarHBondContact O-CB 3.38Å; E459-L463 PolarHBondContact O-N 2.8Å
460	L	79.1	Confident	72.9	Confident	39 Å²	39	34.7 Å²	34.7	20%	0.204	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-47.2	173.6	178.5	67.9	0	0	0	111.8	G456 T457 L458 N462 L463 L464 L515	G456-L460 WeakPolarHBondContact O-CB 3.4Å; G456-L460 PolarHBondContact O-N 2.99Å; T457-L460 WeakPolarHBondContact O-CB 3.13Å; T457-L460 PolarHBondContact O-N 2.9Å; L458-L460 VanDerWaalsContact C-N 3.35Å; L460-N462 VanDerWaalsContact C-N 3.32Å; L460-N462 PolarHBondContact O-N 3.09Å; L460-L463 WeakPolarHBondContact O-CB 3.39Å; L460-L463 PolarHBondContact O-N 3.47Å; L460-L464 HydrophobicContact CD1-CD1 4.46Å; L460-L464 HydrophobicContact CD1-CG 4.36Å; L460-L464 HydrophobicContact CG-CD1 4.09Å; L460-L464 HydrophobicContact CG-CG 4.41Å; L460-L464 VanDerWaalsContact O-CG 3.3Å; L460-L464 WeakPolarHBondContact O-CG 3.42Å; L460-L464 PolarHBondContact O-N 2.82Å; L460-L515 HydrophobicContact CD2-CD1 4.31Å; L460-L515 HydrophobicContact CD2-CD2 3.61Å
461	I	77	Confident	70.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-46.3	177.3	-69.2	166.8	0	0	0	109.9	F270 V333 C336 F337 T457 L458 L463 L464 Y465	F270-I461 HydrophobicContact CE1-CG2 3.9Å; F270-I461 HydrophobicContact CZ-CG2 3.96Å; V333-I461 HydrophobicContact CG1-CG2 4.25Å; C336-I461 HydrophobicContact CB-CD1 3.9Å; C336-I461 HydrophobicContact CB-CG1 3.94Å; F337-I461 HydrophobicContact CB-CD1 4.28Å; F337-I461 HydrophobicContact CD2-CD1 4.46Å; T457-I461 HydrophobicContact CG2-CD1 4.09Å; T457-I461 WeakPolarHBondContact O-CG1 3.3Å; T457-I461 PolarHBondContact O-N 2.83Å; L458-I461 PolarHBondContact O-N 2.81Å; I461-L463 VanDerWaalsContact C-N 3.27Å; I461-L463 PolarHBondContact O-N 2.77Å; I461-L464 PolarHBondContact O-N 2.79Å; I461-Y465 HydrophobicContact CG2-CD2 4.17Å; I461-Y465 HydrophobicContact CG2-CE2 4.26Å; I461-Y465 WeakPolarHBondContact O-CD2 3.49Å; I461-Y465 PolarHBondContact O-N 2.85Å
462	N	77.9	Confident	67.8	Low	10 Å²	10	43.4 Å²	43.4	5%	0.053	24%	0.242	C	C	.	.	H	α-helix	trans	-58.4	-43	177.5	-165	46.8	0	0	0	111.8	L403 L405 L458 E459 L460 Y465 S466	L403-N462 HydrophobicContact CD1-CB 3.52Å; L405-N462 HydrophobicContact CD1-CB 3.88Å; L458-N462 WeakPolarHBondContact O-CB 3.32Å; L458-N462 PolarHBondContact O-N 2.74Å; E459-N462 PolarHBondContact O-N 2.91Å; L460-N462 VanDerWaalsContact C-N 3.32Å; L460-N462 PolarHBondContact O-N 3.09Å; N462-Y465 PolarHBondContact O-N 2.8Å; N462-S466 VanDerWaalsContact O-CB 3.31Å; N462-S466 WeakPolarHBondContact O-CB 3.39Å; N462-S466 PolarHBondContact O-N 3Å; N462-S466 PolarHBondContact O-OG 3.1Å
463	L	74.4	Confident	65.2	Low	81 Å²	81	47.3 Å²	47.3	42%	0.424	26%	0.257	S	S	.	.	H	α-helix	trans	-65	-40.5	177.9	-178.9	65.3	0	0	0	112.2	E459 L460 I461 Y465	E459-L463 VanDerWaalsContact O-CB 3.29Å; E459-L463 WeakPolarHBondContact O-CB 3.38Å; E459-L463 PolarHBondContact O-N 2.8Å; L460-L463 WeakPolarHBondContact O-CB 3.39Å; L460-L463 PolarHBondContact O-N 3.47Å; I461-L463 VanDerWaalsContact C-N 3.27Å; I461-L463 PolarHBondContact O-N 2.77Å; L463-Y465 VanDerWaalsContact C-N 3.29Å; L463-Y465 PolarHBondContact O-N 3.01Å
464	L	71.3	Confident	62.8	Low	50 Å²	50	49.1 Å²	49.1	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-63.5	-33.2	180	-74.6	170.9	0	0	0	112.7	V329 V333 L460 I461	V329-L464 HydrophobicContact CG1-CB 4.39Å; V333-L464 HydrophobicContact CG2-CB 4.34Å; V333-L464 HydrophobicContact CG2-CD1 3.97Å; L460-L464 HydrophobicContact CD1-CD1 4.46Å; L460-L464 HydrophobicContact CD1-CG 4.36Å; L460-L464 HydrophobicContact CG-CD1 4.09Å; L460-L464 HydrophobicContact CG-CG 4.41Å; L460-L464 VanDerWaalsContact O-CG 3.3Å; L460-L464 WeakPolarHBondContact O-CG 3.42Å; L460-L464 PolarHBondContact O-N 2.82Å; I461-L464 PolarHBondContact O-N 2.79Å
465	Y	69.7	Low	60.2	Low	13 Å²	13	54.8 Å²	54.8	5%	0.051	30%	0.295	C	S	.	.	H	α-helix	trans	-92.4	-25.8	178.9	-78.2	-77.2	0	0	0	115	E140 F270 L330 V333 I461 N462 L463 T467	E140-Y465 HydrophobicContact CB-CE1 4.09Å; E140-Y465 HydrophobicContact CG-CD1 4.27Å; E140-Y465 HydrophobicContact CG-CE1 3.67Å; E140-Y465 WeakPolarHBondContact OE2-CE1 3.23Å; F270-Y465 HydrophobicContact CB-CD1 3.37Å; F270-Y465 HydrophobicContact CB-CD2 4.19Å; F270-Y465 HydrophobicContact CB-CE1 3.36Å; F270-Y465 HydrophobicContact CB-CE2 4.19Å; F270-Y465 HydrophobicContact CB-CG 3.79Å; F270-Y465 HydrophobicContact CD1-CD1 4.1Å; F270-Y465 AromaticContact CD1-CD2 3.38Å; F270-Y465 HydrophobicContact CD1-CD2 3.38Å; F270-Y465 HydrophobicContact CD1-CE1 4.35Å; F270-Y465 AromaticContact CD1-CE2 3.69Å; F270-Y465 HydrophobicContact CD1-CE2 3.69Å; F270-Y465 AromaticContact CD1-CG 3.6Å; F270-Y465 HydrophobicContact CD1-CG 3.6Å; F270-Y465 HydrophobicContact CD2-CD2 4.48Å; F270-Y465 HydrophobicContact CD2-CE1 4.34Å; F270-Y465 AromaticContact CD2-CE2 3.97Å; F270-Y465 HydrophobicContact CD2-CE2 3.97Å; F270-Y465 AromaticContact CD2-CZ 3.92Å; F270-Y465 AromaticContact CE1-CD2 3.77Å; F270-Y465 HydrophobicContact CE1-CD2 3.77Å; F270-Y465 AromaticContact CE1-CE2 3.97Å; F270-Y465 HydrophobicContact CE1-CE2 3.97Å; F270-Y465 HydrophobicContact CE1-CG 4.4Å; F270-Y465 HydrophobicContact CE2-CE2 4.24Å; F270-Y465 AromaticContact CG-CD1 3.91Å; F270-Y465 HydrophobicContact CG-CD1 3.91Å; F270-Y465 AromaticContact CG-CD2 3.78Å; F270-Y465 HydrophobicContact CG-CD2 3.78Å; F270-Y465 AromaticContact CG-CE1 3.8Å; F270-Y465 HydrophobicContact CG-CE1 3.8Å; F270-Y465 AromaticContact CG-CE2 3.68Å; F270-Y465 HydrophobicContact CG-CE2 3.68Å; F270-Y465 AromaticContact CG-CG 3.88Å; F270-Y465 HydrophobicContact CG-CG 3.88Å; F270-Y465 AromaticContact CG-CZ 3.72Å; F270-Y465 HydrophobicContact CZ-CD2 4.47Å; F270-Y465 HydrophobicContact CZ-CE2 4.24Å; L330-Y465 WeakPolarHBondContact CD2-OH 3.43Å; V333-Y465 HydrophobicContact CB-CE2 3.82Å; V333-Y465 HydrophobicContact CG1-CE2 3.41Å; V333-Y465 VanDerWaalsContact CG1-CE2 3.41Å; V333-Y465 WeakPolarHBondContact CG1-OH 3.26Å; V333-Y465 HydrophobicContact CG2-CD2 4.12Å; V333-Y465 HydrophobicContact CG2-CE2 3.26Å; I461-Y465 HydrophobicContact CG2-CD2 4.17Å; I461-Y465 HydrophobicContact CG2-CE2 4.26Å; I461-Y465 WeakPolarHBondContact O-CD2 3.49Å; I461-Y465 PolarHBondContact O-N 2.85Å; N462-Y465 PolarHBondContact O-N 2.8Å; L463-Y465 VanDerWaalsContact C-N 3.29Å; L463-Y465 PolarHBondContact O-N 3.01Å; Y465-T467 PolarHBondContact O-N 3.47Å
466	S	67.2	Low	57.4	Low	30 Å²	30	60.9 Å²	60.9	21%	0.21	33%	0.327	C	S	.	.	S	Bend	trans	-70.3	112.1	178.3	-62	0	0	0	0	109.5	N462	N462-S466 VanDerWaalsContact O-CB 3.31Å; N462-S466 WeakPolarHBondContact O-CB 3.39Å; N462-S466 PolarHBondContact O-N 3Å; N462-S466 PolarHBondContact O-OG 3.1Å
467	T	52.5	Low	54.9	Low	42 Å²	42	66.7 Å²	66.7	26%	0.258	35%	0.345	S	S	.	.			trans	-75.1	154.3	179.8	55.9	0	0	0	0	113.4	P272 Y465 V469 Y470	P272-T467 HydrophobicContact CB-CG2 3.71Å; P272-T467 HydrophobicContact CG-CG2 4.3Å; Y465-T467 PolarHBondContact O-N 3.47Å; T467-V469 PolarHBondContact O-N 3.04Å; T467-Y470 WeakPolarHBondContact O-CB 3.41Å; T467-Y470 PolarHBondContact O-N 3.34Å
468	D	41.9	Very low	52.5	Low	114 Å²	114	70 Å²	70	61%	0.61	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-16.7	179.8	-84.5	-31.3	0	0	0	116.2	Y470 C471	D468-Y470 PolarHBondContact O-N 2.86Å; D468-Y470 VanDerWaalsContact O-N 3.15Å; D468-C471 PolarHBondContact O-N 3.09Å
469	V	40	Very low	49.8	Very low	119 Å²	119	75 Å²	75	72%	0.721	40%	0.404	S	S	*	.	H	α-helix	trans	-57.5	-27.4	173	-174	0	0	0	0	110.8	T467	T467-V469 PolarHBondContact O-N 3.04Å
470	Y	40.4	Very low	47.1	Very low	34 Å²	34	81 Å²	81	13%	0.133	44%	0.435	C	S	.	.	H	α-helix	trans	-66.7	-35.9	169.8	-106.2	-102.2	0	0	0	114.5	Q248 T273 T293 T467 D468	Q248-Y470 HydrophobicContact CG-CE1 3.98Å; Q248-Y470 WeakPolarHBondContact CG-OH 3.4Å; Q248-Y470 PolarHBondContact NE2-OH 3.18Å; T273-Y470 PolarHBondContact O-OH 3.33Å; T293-Y470 VanDerWaalsContact CA-OH 3.29Å; T293-Y470 WeakPolarHBondContact CA-OH 3.16Å; T293-Y470 HydrophobicContact CG2-CD2 4.17Å; T293-Y470 HydrophobicContact CG2-CE1 3.9Å; T293-Y470 HydrophobicContact CG2-CE2 3.33Å; T293-Y470 WeakPolarHBondContact CG2-OH 3.49Å; T293-Y470 PolarHBondContact N-OH 2.98Å; T293-Y470 VanDerWaalsContact N-OH 3.09Å; T467-Y470 WeakPolarHBondContact O-CB 3.41Å; T467-Y470 PolarHBondContact O-N 3.34Å; D468-Y470 PolarHBondContact O-N 2.86Å; D468-Y470 VanDerWaalsContact O-N 3.15Å
471	C	35.4	Very low	44.6	Very low	43 Å²	43	85 Å²	85	29%	0.291	47%	0.465	S	S	.	.	H	α-helix	trans	-79.8	-25.8	-169.6	-79.4	0	0	0	0	113.1	D468 Q473 I475	D468-C471 PolarHBondContact O-N 3.09Å; C471-Q473 VanDerWaalsContact C-N 3.34Å; C471-Q473 PolarHBondContact O-N 2.84Å; C471-I475 WeakPolarHBondContact O-CD1 3.44Å; C471-I475 WeakPolarHBondContact O-CG1 3.22Å; C471-I475 PolarHBondContact O-N 2.92Å
472	K	31.3	Very low	42.1	Very low	168 Å²	168	93.6 Å²	93.6	73%	0.73	51%	0.505	S	S	*	.	H	α-helix	trans	-67.5	-30.5	176.8	-80.3	-175	177.5	178	0	113.5
473	Q	31.7	Very low	39.8	Very low	135 Å²	135	100.5 Å²	100.5	63%	0.631	54%	0.542	S	S	*	.	H	α-helix	trans	-77.9	-39.9	177.7	-74.4	-178	-20.6	0	0	112.4	C471 I475 N476	C471-Q473 VanDerWaalsContact C-N 3.34Å; C471-Q473 PolarHBondContact O-N 2.84Å; Q473-I475 VanDerWaalsContact C-N 3.34Å; Q473-I475 PolarHBondContact O-N 2.85Å; Q473-N476 PolarHBondContact O-N 3.46Å
474	N	31.2	Very low	37.9	Very low	59 Å²	59	99.5 Å²	99.5	32%	0.316	54%	0.542	S	S	.	.	H	α-helix	trans	-70	-24.8	-179.8	-88	-15.3	0	0	0	114.5	N247 N476 S478	N247-N474 PolarHBondContact ND2-OD1 3.24Å; N474-N476 VanDerWaalsContact C-N 3.26Å; N474-N476 PolarHBondContact O-N 2.98Å; N474-S478 WeakPolarHBondContact O-CB 3.46Å; N474-S478 PolarHBondContact O-N 2.69Å; N474-S478 PolarHBondContact O-OG 2.72Å
475	I	29.7	Very low	35.8	Very low	125 Å²	125	106.2 Å²	106.2	64%	0.641	57%	0.568	S	S	*	*	H	α-helix	trans	-67.6	-29.5	175.4	-68.4	166.3	0	0	0	111.1	C471 Q473	C471-I475 WeakPolarHBondContact O-CD1 3.44Å; C471-I475 WeakPolarHBondContact O-CG1 3.22Å; C471-I475 PolarHBondContact O-N 2.92Å; Q473-I475 VanDerWaalsContact C-N 3.34Å; Q473-I475 PolarHBondContact O-N 2.85Å
476	N	25.7	Very low	33.9	Very low	133 Å²	133	111 Å²	111	71%	0.711	59%	0.594	S	S	*	*	H	α-helix	trans	-83.7	-24	-178	-73.8	-7.5	0	0	0	113.8	Q473 N474	Q473-N476 PolarHBondContact O-N 3.46Å; N474-N476 VanDerWaalsContact C-N 3.26Å; N474-N476 PolarHBondContact O-N 2.98Å
477	E	30.1	Very low	32.3	Very low	157 Å²	157	111.9 Å²	111.9	73%	0.734	60%	0.6	S	S	*	*	H	α-helix	trans	-101	-15.1	-178	-71.9	-172.4	166.8	0	0	114.6	S479	E477-S479 VanDerWaalsContact C-N 3.26Å; E477-S479 PolarHBondContact O-N 3.43Å; E477-S479 VanDerWaalsContact O-N 3.11Å
478	S	29.2	Very low	31.5	Very low	93 Å²	93	116.6 Å²	116.6	65%	0.65	62%	0.615	S	S	*	*			trans	-88.1	45.8	-179	57.8	0	0	0	0	113.9	N474 I480	N474-S478 WeakPolarHBondContact O-CB 3.46Å; N474-S478 PolarHBondContact O-N 2.69Å; N474-S478 PolarHBondContact O-OG 2.72Å; S478-I480 VanDerWaalsContact C-N 3.31Å
479	S	27.5	Very low	31	Very low	105 Å²	105	116.4 Å²	116.4	73%	0.734	61%	0.613	S	S	*	*			trans	-85.6	7.6	169.3	37.7	0	0	0	0	114.2	E477	E477-S479 VanDerWaalsContact C-N 3.26Å; E477-S479 PolarHBondContact O-N 3.43Å; E477-S479 VanDerWaalsContact O-N 3.11Å
480	I	26.6	Very low	30.9	Very low	151 Å²	151	114.1 Å²	114.1	77%	0.774	60%	0.596	S	S	*	*			trans	-137.1	85.5	-178	-49.6	176.8	0	0	0	111.3	S478	S478-I480 VanDerWaalsContact C-N 3.31Å
481	C	25.2	Very low	30.6	Very low	123 Å²	123	116.6 Å²	116.6	83%	0.831	61%	0.611	S	S	*	*			trans	-176.9	93.2	139.4	-112.8	0	0	0	0	110.7
482	H	24.9	Very low	30.3	Very low	181 Å²	181	118.6 Å²	118.6	84%	0.838	62%	0.615	S	S	*	*			trans	-70.6	154.7	167.3	-97	10.2	0	0	0	111.8
483	N	29.1	Very low	30.6	Very low	155 Å²	155	116 Å²	116	83%	0.829	60%	0.604	S	S	*	*			trans	93.4	71.5	160.3	-59.7	-22.1	0	0	0	119.3
484	S	35.8	Very low	30.9	Very low	60 Å²	60	111.6 Å²	111.6	42%	0.42	58%	0.584	S	S	.	*				-158	142.4	121	72.2	0	0	0	0	110.5	L486 S487 Y488	S484-L486 PolarHBondContact O-N 2.98Å; S484-S487 PolarHBondContact N-OG 3.01Å; S484-S487 PolarHBondContact O-N 3.31Å; S484-S487 VanDerWaalsContact O-N 3.16Å; S484-S487 PolarHBondContact O-OG 2.82Å; S484-S487 VanDerWaalsContact OG-CB 3.27Å; S484-S487 WeakPolarHBondContact OG-CB 3.39Å; S484-S487 PolarHBondContact OG-N 2.88Å; S484-S487 PolarHBondContact OG-OG 3.12Å; S484-Y488 PolarHBondContact O-N 3.43Å; S484-Y488 VanDerWaalsContact O-N 3.15Å
485	K	27	Very low	31.2	Very low	190 Å²	190	111.8 Å²	111.8	83%	0.826	59%	0.588	S	S	*	*	H	α-helix	trans	-59.1	-27.1	174.7	-72.2	178.6	178	176.8	0	112.1	L489	K485-L489 PolarHBondContact O-N 3.33Å
486	L	30.6	Very low	31.2	Very low	114 Å²	114	110.7 Å²	110.7	60%	0.597	58%	0.583	S	S	*	*	H	α-helix	trans	-72.8	-40.5	176.6	-169.6	67.1	0	0	0	112.1	S484 Y488 L489 I490	S484-L486 PolarHBondContact O-N 2.98Å; L486-Y488 VanDerWaalsContact C-N 3.32Å; L486-Y488 PolarHBondContact O-N 3.2Å; L486-L489 PolarHBondContact O-N 2.86Å; L486-I490 HydrophobicContact CD1-CD1 4.39Å; L486-I490 HydrophobicContact CD2-CD1 4.49Å; L486-I490 HydrophobicContact CG-CD1 3.94Å; L486-I490 WeakPolarHBondContact O-CB 3.43Å; L486-I490 WeakPolarHBondContact O-CG1 3.26Å; L486-I490 PolarHBondContact O-N 2.93Å
487	S	32	Very low	31.8	Very low	48 Å²	48	107 Å²	107	34%	0.336	56%	0.563	S	S	.	*	H	α-helix	trans	-68.2	-32.1	174.4	65	0	0	0	0	112.1	S484 N491	S484-S487 PolarHBondContact N-OG 3.01Å; S484-S487 PolarHBondContact O-N 3.31Å; S484-S487 VanDerWaalsContact O-N 3.16Å; S484-S487 PolarHBondContact O-OG 2.82Å; S484-S487 VanDerWaalsContact OG-CB 3.27Å; S484-S487 WeakPolarHBondContact OG-CB 3.39Å; S484-S487 PolarHBondContact OG-N 2.88Å; S484-S487 PolarHBondContact OG-OG 3.12Å; S487-N491 WeakPolarHBondContact O-CA 3.46Å; S487-N491 WeakPolarHBondContact O-CB 3.01Å; S487-N491 VanDerWaalsContact O-CG 3.32Å; S487-N491 PolarHBondContact O-N 3.42Å; S487-N491 PolarHBondContact O-ND2 2.93Å
488	Y	35.8	Very low	32.4	Very low	142 Å²	142	104.9 Å²	104.9	56%	0.557	55%	0.548	S	S	*	.	H	α-helix	trans	-67	-41.4	169.8	179.9	-98.1	0	0	0	111.9	S484 L486 K492	S484-Y488 PolarHBondContact O-N 3.43Å; S484-Y488 VanDerWaalsContact O-N 3.15Å; L486-Y488 VanDerWaalsContact C-N 3.32Å; L486-Y488 PolarHBondContact O-N 3.2Å; Y488-K492 HydrophobicContact CD1-CD 4.47Å; Y488-K492 HydrophobicContact CE1-CB 4.45Å; Y488-K492 HydrophobicContact CE1-CD 3.63Å; Y488-K492 WeakPolarHBondContact O-CA 3.26Å; Y488-K492 WeakPolarHBondContact O-CB 3.45Å; Y488-K492 PolarHBondContact O-N 3.45Å; Y488-K492 PolarHBondContact OH-NZ 2.7Å
489	L	31.1	Very low	32.6	Very low	109 Å²	109	103.6 Å²	103.6	57%	0.571	55%	0.55	S	S	*	*	H	α-helix	trans	-69.6	-40.5	177.6	-79.2	170.4	0	0	0	112.5	K485 L486 K492 F493	K485-L489 PolarHBondContact O-N 3.33Å; L486-L489 PolarHBondContact O-N 2.86Å; L489-K492 PolarHBondContact O-N 3.38Å; L489-F493 WeakPolarHBondContact O-CA 3.49Å; L489-F493 WeakPolarHBondContact O-CB 3.44Å; L489-F493 PolarHBondContact O-N 3.47Å
490	I	38.4	Very low	32.7	Very low	71 Å²	71	101.8 Å²	101.8	36%	0.364	54%	0.535	S	S	.	.	H	α-helix	trans	-67.9	-46.7	174.7	-68	170.2	0	0	0	109.6	L486 K492 F493 I494	L486-I490 HydrophobicContact CD1-CD1 4.39Å; L486-I490 HydrophobicContact CD2-CD1 4.49Å; L486-I490 HydrophobicContact CG-CD1 3.94Å; L486-I490 WeakPolarHBondContact O-CB 3.43Å; L486-I490 WeakPolarHBondContact O-CG1 3.26Å; L486-I490 PolarHBondContact O-N 2.93Å; I490-K492 VanDerWaalsContact C-N 3.29Å; I490-K492 PolarHBondContact O-N 3.4Å; I490-F493 PolarHBondContact O-N 2.76Å; I490-I494 HydrophobicContact CG2-CD1 3.49Å; I490-I494 VanDerWaalsContact CG2-CD1 3.49Å; I490-I494 HydrophobicContact CG2-CG1 4.14Å; I490-I494 VanDerWaalsContact O-CB 3.31Å; I490-I494 WeakPolarHBondContact O-CB 3.34Å; I490-I494 WeakPolarHBondContact O-CG1 3.42Å; I490-I494 PolarHBondContact O-N 3.21Å
491	N	33.4	Very low	33.1	Very low	86 Å²	86	97.6 Å²	97.6	46%	0.46	53%	0.529	S	S	.	.	H	α-helix	trans	-63	-36.5	173.9	-80.4	-32.3	0	0	0	111.6	S487 T495	S487-N491 WeakPolarHBondContact O-CA 3.46Å; S487-N491 WeakPolarHBondContact O-CB 3.01Å; S487-N491 VanDerWaalsContact O-CG 3.32Å; S487-N491 PolarHBondContact O-N 3.42Å; S487-N491 PolarHBondContact O-ND2 2.93Å; N491-T495 WeakPolarHBondContact O-CA 3.33Å; N491-T495 WeakPolarHBondContact O-CB 3.5Å; N491-T495 WeakPolarHBondContact O-CG2 3.28Å; N491-T495 PolarHBondContact O-N 3.35Å; N491-T495 PolarHBondContact O-OG1 2.95Å
492	K	29.4	Very low	33.6	Very low	85 Å²	85	95.6 Å²	95.6	37%	0.37	51%	0.508	S	S	.	.	H	α-helix	trans	-71.6	-35.8	176.9	-170.4	170.7	-173.7	169.5	0	112.3	Y488 L489 I490 T495 N496	Y488-K492 HydrophobicContact CD1-CD 4.47Å; Y488-K492 HydrophobicContact CE1-CB 4.45Å; Y488-K492 HydrophobicContact CE1-CD 3.63Å; Y488-K492 WeakPolarHBondContact O-CA 3.26Å; Y488-K492 WeakPolarHBondContact O-CB 3.45Å; Y488-K492 PolarHBondContact O-N 3.45Å; Y488-K492 PolarHBondContact OH-NZ 2.7Å; L489-K492 PolarHBondContact O-N 3.38Å; I490-K492 VanDerWaalsContact C-N 3.29Å; I490-K492 PolarHBondContact O-N 3.4Å; K492-T495 WeakPolarHBondContact CA-OG1 3.4Å; K492-T495 PolarHBondContact O-N 3.02Å; K492-T495 PolarHBondContact O-OG1 3.32Å; K492-N496 WeakPolarHBondContact O-CA 3.21Å; K492-N496 WeakPolarHBondContact O-CB 3.49Å; K492-N496 PolarHBondContact O-N 2.73Å; K492-N496 PolarHBondContact O-OD1 3.19Å
493	F	37.8	Very low	34.2	Very low	114 Å²	114	91.1 Å²	91.1	50%	0.5	50%	0.497	S	S	.	.	H	α-helix	trans	-70.7	-46.2	176.2	-167.3	-96.3	0	0	0	110	L489 I490 T495 N496 I497	L489-F493 WeakPolarHBondContact O-CA 3.49Å; L489-F493 WeakPolarHBondContact O-CB 3.44Å; L489-F493 PolarHBondContact O-N 3.47Å; I490-F493 PolarHBondContact O-N 2.76Å; F493-T495 VanDerWaalsContact C-N 3.35Å; F493-N496 PolarHBondContact O-N 3.3Å; F493-I497 HydrophobicContact CD1-CD1 3.81Å; F493-I497 HydrophobicContact CE1-CD1 3.71Å; F493-I497 HydrophobicContact CZ-CD1 4.48Å; F493-I497 WeakPolarHBondContact O-CD1 3.39Å; F493-I497 VanDerWaalsContact O-CG1 3.24Å; F493-I497 WeakPolarHBondContact O-CG1 3.45Å; F493-I497 PolarHBondContact O-N 3.02Å
494	I	39.2	Very low	34.4	Very low	42 Å²	42	86.3 Å²	86.3	22%	0.215	47%	0.474	C	S	.	.	H	α-helix	trans	-64.4	-39.7	171.6	-56.3	168.5	0	0	0	109.4	I490 I497 R498	I490-I494 HydrophobicContact CG2-CD1 3.49Å; I490-I494 VanDerWaalsContact CG2-CD1 3.49Å; I490-I494 HydrophobicContact CG2-CG1 4.14Å; I490-I494 VanDerWaalsContact O-CB 3.31Å; I490-I494 WeakPolarHBondContact O-CB 3.34Å; I490-I494 WeakPolarHBondContact O-CG1 3.42Å; I490-I494 PolarHBondContact O-N 3.21Å; I494-I497 CarbonylContact O-C 3.55Å; I494-I497 PolarHBondContact O-N 2.91Å; I494-R498 HydrophobicContact CG2-CG 4.17Å; I494-R498 WeakPolarHBondContact O-CB 3.31Å; I494-R498 VanDerWaalsContact O-CD 3.3Å; I494-R498 WeakPolarHBondContact O-CD 3.3Å; I494-R498 WeakPolarHBondContact O-CG 3.35Å; I494-R498 PolarHBondContact O-N 3.39Å
495	T	37.2	Very low	34.6	Very low	64 Å²	64	86.2 Å²	86.2	39%	0.393	47%	0.468	S	S	.	.	H	α-helix	trans	-73.3	-33.4	178.5	63.2	0	0	0	0	114	N491 K492 F493 I497 R498 G499	N491-T495 WeakPolarHBondContact O-CA 3.33Å; N491-T495 WeakPolarHBondContact O-CB 3.5Å; N491-T495 WeakPolarHBondContact O-CG2 3.28Å; N491-T495 PolarHBondContact O-N 3.35Å; N491-T495 PolarHBondContact O-OG1 2.95Å; K492-T495 WeakPolarHBondContact CA-OG1 3.4Å; K492-T495 PolarHBondContact O-N 3.02Å; K492-T495 PolarHBondContact O-OG1 3.32Å; F493-T495 VanDerWaalsContact C-N 3.35Å; T495-I497 VanDerWaalsContact C-N 3.3Å; T495-R498 CarbonylContact O-C 3.55Å; T495-R498 WeakPolarHBondContact O-CA 3.37Å; T495-R498 WeakPolarHBondContact O-CB 3.41Å; T495-R498 PolarHBondContact O-N 2.9Å; T495-R498 VanDerWaalsContact O-N 3.1Å; T495-G499 PolarHBondContact O-N 2.86Å
496	N	30.4	Very low	35.1	Very low	101 Å²	101	85.5 Å²	85.5	54%	0.54	47%	0.467	S	S	.	.	H	α-helix	trans	-70.2	-31.1	173.6	-77.4	-5	0	0	0	110.6	K492 F493 T500	K492-N496 WeakPolarHBondContact O-CA 3.21Å; K492-N496 WeakPolarHBondContact O-CB 3.49Å; K492-N496 PolarHBondContact O-N 2.73Å; K492-N496 PolarHBondContact O-OD1 3.19Å; F493-N496 PolarHBondContact O-N 3.3Å; N496-T500 PolarHBondContact O-OG1 2.94Å
497	I	37.6	Very low	35.6	Very low	56 Å²	56	84.2 Å²	84.2	29%	0.287	47%	0.468	S	S	.	.	H	α-helix	trans	-70.2	-37.8	165.6	-66.1	166.1	0	0	0	110.5	F493 I494 T495 L511	F493-I497 HydrophobicContact CD1-CD1 3.81Å; F493-I497 HydrophobicContact CE1-CD1 3.71Å; F493-I497 HydrophobicContact CZ-CD1 4.48Å; F493-I497 WeakPolarHBondContact O-CD1 3.39Å; F493-I497 VanDerWaalsContact O-CG1 3.24Å; F493-I497 WeakPolarHBondContact O-CG1 3.45Å; F493-I497 PolarHBondContact O-N 3.02Å; I494-I497 CarbonylContact O-C 3.55Å; I494-I497 PolarHBondContact O-N 2.91Å; T495-I497 VanDerWaalsContact C-N 3.3Å; I497-L511 HydrophobicContact CD1-CD1 4.36Å
498	R	42.8	Very low	35.9	Very low	112 Å²	112	83.6 Å²	83.6	42%	0.423	46%	0.464	S	S	.	.	H	α-helix	trans	-72.4	-22.5	-177.7	-70.2	156.9	166.9	160.6	4.4	115	I494 T495	I494-R498 HydrophobicContact CG2-CG 4.17Å; I494-R498 WeakPolarHBondContact O-CB 3.31Å; I494-R498 VanDerWaalsContact O-CD 3.3Å; I494-R498 WeakPolarHBondContact O-CD 3.3Å; I494-R498 WeakPolarHBondContact O-CG 3.35Å; I494-R498 PolarHBondContact O-N 3.39Å; T495-R498 CarbonylContact O-C 3.55Å; T495-R498 WeakPolarHBondContact O-CA 3.37Å; T495-R498 WeakPolarHBondContact O-CB 3.41Å; T495-R498 PolarHBondContact O-N 2.9Å; T495-R498 VanDerWaalsContact O-N 3.1Å
499	G	32.6	Very low	36.1	Very low	67 Å²	67	83.6 Å²	83.6	69%	0.691	47%	0.469	S	S	*	.	H	α-helix	trans	-91.8	-18.1	-176.5	0	0	0	0	0	114.7	T495	T495-G499 PolarHBondContact O-N 2.86Å
500	T	30.2	Very low	36.5	Very low	67 Å²	67	83.1 Å²	83.1	41%	0.411	47%	0.47	S	S	.	.	S	Bend	trans	-127.9	85.5	-172.9	51.7	0	0	0	0	108.4	N496 M502 T504	N496-T500 PolarHBondContact O-OG1 2.94Å; T500-M502 PolarHBondContact O-N 3.35Å; T500-T504 WeakPolarHBondContact CB-OG1 3.17Å; T500-T504 PolarHBondContact OG1-OG1 2.84Å; T500-T504 VanDerWaalsContact OG1-OG1 3.09Å
501	G	35.2	Very low	36.7	Very low	63 Å²	63	80.9 Å²	80.9	65%	0.649	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.6	133.9	179.4	0	0	0	0	0	112	S503	G501-S503 PolarHBondContact O-OG 3.47Å; G501-S503 PolarHBondContact O-N 3.16Å
502	M	36.2	Very low	37	Very low	81 Å²	81	83.3 Å²	83.3	40%	0.399	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	38.8	-36.1	167.6	-144.7	76.1	168.1	0	0	120.4	V329 T500 T504 I505	V329-M502 HydrophobicContact CG2-CE 4.16Å; T500-M502 PolarHBondContact O-N 3.35Å; M502-T504 PolarHBondContact O-N 2.89Å; M502-I505 PolarHBondContact O-N 2.81Å; M502-I505 HydrophobicContact SD-CD1 4.13Å
503	S	35.7	Very low	37.4	Very low	86 Å²	86	85 Å²	85	60%	0.601	47%	0.474	S	S	*	.	H	α-helix	trans	-60.3	-27.3	179.5	62.8	0	0	0	0	113	G501 S507	G501-S503 PolarHBondContact O-OG 3.47Å; G501-S503 PolarHBondContact O-N 3.16Å; S503-S507 PolarHBondContact O-N 2.98Å
504	T	34	Very low	37.9	Very low	55 Å²	55	84.4 Å²	84.4	34%	0.337	47%	0.472	S	S	.	.	H	α-helix	trans	-86.8	-22.9	177.9	-38.5	0	0	0	0	113.9	T500 M502 Q506 S507 S508	T500-T504 WeakPolarHBondContact CB-OG1 3.17Å; T500-T504 PolarHBondContact OG1-OG1 2.84Å; T500-T504 VanDerWaalsContact OG1-OG1 3.09Å; M502-T504 PolarHBondContact O-N 2.89Å; T504-Q506 PolarHBondContact O-N 2.84Å; T504-S507 PolarHBondContact O-OG 3.5Å; T504-S507 VanDerWaalsContact O-N 3.14Å; T504-S507 PolarHBondContact O-N 3.12Å; T504-S507 WeakPolarHBondContact CG2-OG 3.19Å; T504-S507 WeakPolarHBondContact CA-OG 3.27Å; T504-S508 WeakPolarHBondContact O-CB 3.17Å; T504-S508 PolarHBondContact O-N 3.2Å
505	I	40.7	Very low	38.1	Very low	58 Å²	58	85.1 Å²	85.1	30%	0.297	48%	0.476	S	S	.	.	H	α-helix	trans	-66.2	-33.7	174.3	-63.5	177.8	0	0	0	109.9	M502 L511	M502-I505 PolarHBondContact O-N 2.81Å; M502-I505 HydrophobicContact SD-CD1 4.13Å; I505-L511 HydrophobicContact CB-CD2 4.25Å; I505-L511 HydrophobicContact CG1-CD2 3.93Å; I505-L511 HydrophobicContact CG2-CD2 4Å
506	Q	37.1	Very low	38.2	Very low	174 Å²	174	87.2 Å²	87.2	81%	0.813	48%	0.482	S	S	*	.	H	α-helix	trans	-74.5	-28.8	171.3	-72.8	-172.2	-22.2	0	0	113.5	T504	T504-Q506 PolarHBondContact O-N 2.84Å
507	S	41.1	Very low	38.3	Very low	87 Å²	87	83.4 Å²	83.4	61%	0.608	47%	0.467	S	S	*	.	H	α-helix	trans	-89	-19.5	-178.4	77.3	0	0	0	0	114.3	S503 T504 Q509	S503-S507 PolarHBondContact O-N 2.98Å; T504-S507 PolarHBondContact O-OG 3.5Å; T504-S507 VanDerWaalsContact O-N 3.14Å; T504-S507 PolarHBondContact O-N 3.12Å; T504-S507 WeakPolarHBondContact CG2-OG 3.19Å; T504-S507 WeakPolarHBondContact CA-OG 3.27Å; S507-Q509 PolarHBondContact O-N 3.23Å
508	S	38.2	Very low	38.5	Very low	36 Å²	36	81.6 Å²	81.6	25%	0.252	46%	0.459	S	S	.	.			trans	-87.6	93.6	-178.9	-175	0	0	0	0	110.9	T504 V510 L511 K512	T504-S508 WeakPolarHBondContact O-CB 3.17Å; T504-S508 PolarHBondContact O-N 3.2Å; S508-V510 PolarHBondContact O-N 3.28Å; S508-L511 PolarHBondContact O-N 2.81Å; S508-L511 PolarHBondContact OG-N 3.03Å; S508-K512 PolarHBondContact O-N 2.92Å
509	Q	38.9	Very low	38.2	Very low	141 Å²	141	80.4 Å²	80.4	66%	0.659	47%	0.473	S	S	*	.	H	α-helix	trans	-57.1	-32.8	174.1	-167.7	154.9	-12.8	0	0	112.2	S507 L511 K512 E513	S507-Q509 PolarHBondContact O-N 3.23Å; Q509-L511 PolarHBondContact O-N 2.82Å; Q509-K512 PolarHBondContact O-N 2.93Å; Q509-E513 PolarHBondContact O-N 2.91Å; Q509-E513 WeakPolarHBondContact O-CG 3.42Å; Q509-E513 VanDerWaalsContact O-CG 3.3Å; Q509-E513 WeakPolarHBondContact O-CB 3.3Å; Q509-E513 VanDerWaalsContact O-CB 3.28Å; Q509-E513 HydrophobicContact CG-CG 4.48Å
510	V	40.4	Very low	38.5	Very low	99 Å²	99	82.1 Å²	82.1	60%	0.6	47%	0.47	S	S	*	.	H	α-helix	trans	-64.7	-38.6	175.2	179.7	0	0	0	0	112	S508 F514	S508-V510 PolarHBondContact O-N 3.28Å; V510-F514 VanDerWaalsContact O-CB 3.22Å; V510-F514 WeakPolarHBondContact O-CB 3.43Å; V510-F514 PolarHBondContact O-N 2.72Å
511	L	42.1	Very low	38.9	Very low	24 Å²	24	82.9 Å²	82.9	13%	0.126	47%	0.474	C	S	.	.	H	α-helix	trans	-74.2	-38.8	177.8	-167.4	72.7	0	0	0	110.8	I497 I505 S508 Q509 E513 F514 L515	I497-L511 HydrophobicContact CD1-CD1 4.36Å; I505-L511 HydrophobicContact CB-CD2 4.25Å; I505-L511 HydrophobicContact CG1-CD2 3.93Å; I505-L511 HydrophobicContact CG2-CD2 4Å; S508-L511 PolarHBondContact O-N 2.81Å; S508-L511 PolarHBondContact OG-N 3.03Å; Q509-L511 PolarHBondContact O-N 2.82Å; L511-E513 VanDerWaalsContact C-N 3.34Å; L511-F514 PolarHBondContact O-N 3.04Å; L511-L515 PolarHBondContact O-N 3.2Å; L511-L515 WeakPolarHBondContact O-CG 3.33Å; L511-L515 VanDerWaalsContact O-CG 3.22Å; L511-L515 VanDerWaalsContact O-CB 3.28Å; L511-L515 WeakPolarHBondContact O-CB 2.99Å; L511-L515 HydrophobicContact CG-CD1 4.14Å; L511-L515 HydrophobicContact CG-CG 4.49Å
512	K	40.3	Very low	38.9	Very low	138 Å²	138	80.8 Å²	80.8	60%	0.6	45%	0.453	S	S	*	.	H	α-helix	trans	-63	-41.1	172.1	-168.1	177.4	-178.3	180	0	111.2	S508 Q509 M516	S508-K512 PolarHBondContact O-N 2.92Å; Q509-K512 PolarHBondContact O-N 2.93Å; K512-M516 HydrophobicContact CG-CG 4.18Å; K512-M516 WeakPolarHBondContact O-CA 3.3Å; K512-M516 WeakPolarHBondContact O-CB 3.46Å; K512-M516 WeakPolarHBondContact O-CG 3.5Å; K512-M516 PolarHBondContact O-N 2.86Å
513	E	38.5	Very low	38.6	Very low	120 Å²	120	82 Å²	82	56%	0.561	46%	0.457	S	S	*	.	H	α-helix	trans	-72	-35.3	176	-77.9	178.2	-171.7	0	0	112.7	Q509 L511 G517	Q509-E513 PolarHBondContact O-N 2.91Å; Q509-E513 WeakPolarHBondContact O-CG 3.42Å; Q509-E513 VanDerWaalsContact O-CG 3.3Å; Q509-E513 WeakPolarHBondContact O-CB 3.3Å; Q509-E513 VanDerWaalsContact O-CB 3.28Å; Q509-E513 HydrophobicContact CG-CG 4.48Å; L511-E513 VanDerWaalsContact C-N 3.34Å; E513-G517 WeakPolarHBondContact O-CA 3.27Å; E513-G517 PolarHBondContact O-N 2.63Å
514	F	47.1	Very low	38.2	Very low	101 Å²	101	83.6 Å²	83.6	44%	0.443	46%	0.458	S	S	.	.	H	α-helix	trans	-65.1	-49.5	171.7	175.6	-97.9	0	0	0	110.3	V510 L511 G517 V518	V510-F514 VanDerWaalsContact O-CB 3.22Å; V510-F514 WeakPolarHBondContact O-CB 3.43Å; V510-F514 PolarHBondContact O-N 2.72Å; L511-F514 PolarHBondContact O-N 3.04Å; F514-G517 PolarHBondContact O-N 2.8Å; F514-V518 HydrophobicContact CD1-CG2 4.36Å; F514-V518 PolarHBondContact O-N 3.39Å; F514-V518 WeakPolarHBondContact O-CG2 3.43Å; F514-V518 WeakPolarHBondContact O-CB 3.48Å; F514-V518 HydrophobicContact CZ-CG2 3.88Å; F514-V518 HydrophobicContact CG-CG2 4.46Å; F514-V518 HydrophobicContact CE2-CG2 3.98Å; F514-V518 HydrophobicContact CE1-CG2 4.07Å; F514-V518 HydrophobicContact CD2-CG2 4.27Å
515	L	43.9	Very low	37.9	Very low	57 Å²	57	83.9 Å²	83.9	30%	0.298	47%	0.472	S	S	.	.	H	α-helix	trans	-68.2	-41	179	-68.6	174.4	0	0	0	112.1	L460 L511 A519	L460-L515 HydrophobicContact CD2-CD1 4.31Å; L460-L515 HydrophobicContact CD2-CD2 3.61Å; L511-L515 PolarHBondContact O-N 3.2Å; L511-L515 WeakPolarHBondContact O-CG 3.33Å; L511-L515 VanDerWaalsContact O-CG 3.22Å; L511-L515 VanDerWaalsContact O-CB 3.28Å; L511-L515 WeakPolarHBondContact O-CB 2.99Å; L511-L515 HydrophobicContact CG-CD1 4.14Å; L511-L515 HydrophobicContact CG-CG 4.49Å; L515-A519 PolarHBondContact O-N 3.38Å; L515-A519 WeakPolarHBondContact O-CB 3.48Å
516	M	38.7	Very low	37.1	Very low	108 Å²	108	87.1 Å²	87.1	53%	0.532	50%	0.495	S	S	.	.	H	α-helix	trans	-66.2	-40.5	172.4	-75.5	-93.4	-63.1	0	0	111.1	K512 A519 V520	K512-M516 HydrophobicContact CG-CG 4.18Å; K512-M516 WeakPolarHBondContact O-CA 3.3Å; K512-M516 WeakPolarHBondContact O-CB 3.46Å; K512-M516 WeakPolarHBondContact O-CG 3.5Å; K512-M516 PolarHBondContact O-N 2.86Å; M516-A519 PolarHBondContact O-N 3.48Å; M516-V520 WeakPolarHBondContact O-CA 3.48Å; M516-V520 WeakPolarHBondContact O-CB 3.39Å; M516-V520 WeakPolarHBondContact O-CG2 3.12Å; M516-V520 PolarHBondContact O-N 3.41Å
517	G	32.9	Very low	36.5	Very low	21 Å²	21	84.1 Å²	84.1	22%	0.216	49%	0.493	C	S	.	.	H	α-helix	trans	-64.7	-43	176.2	0	0	0	0	0	111.6	E513 F514 T521 G522	E513-G517 WeakPolarHBondContact O-CA 3.27Å; E513-G517 PolarHBondContact O-N 2.63Å; F514-G517 PolarHBondContact O-N 2.8Å; G517-T521 PolarHBondContact O-N 3.46Å; G517-T521 PolarHBondContact O-OG1 2.8Å; G517-G522 PolarHBondContact O-N 3.34Å
518	V	41.4	Very low	35.7	Very low	19 Å²	19	88.9 Å²	88.9	12%	0.115	51%	0.505	C	S	.	.	H	α-helix	trans	-66.7	-42.8	175.3	170.2	0	0	0	0	111.4	P453 F514 G522	P453-V518 HydrophobicContact CB-CG1 3.87Å; F514-V518 HydrophobicContact CD1-CG2 4.36Å; F514-V518 PolarHBondContact O-N 3.39Å; F514-V518 WeakPolarHBondContact O-CG2 3.43Å; F514-V518 WeakPolarHBondContact O-CB 3.48Å; F514-V518 HydrophobicContact CZ-CG2 3.88Å; F514-V518 HydrophobicContact CG-CG2 4.46Å; F514-V518 HydrophobicContact CE2-CG2 3.98Å; F514-V518 HydrophobicContact CE1-CG2 4.07Å; F514-V518 HydrophobicContact CD2-CG2 4.27Å; V518-G522 PolarHBondContact O-N 3.12Å
519	A	38.1	Very low	35	Very low	87 Å²	87	92.5 Å²	92.5	72%	0.719	53%	0.531	S	S	*	.	H	α-helix	trans	-77.4	-31.2	-178.5	0	0	0	0	0	113.9	L515 M516	L515-A519 PolarHBondContact O-N 3.38Å; L515-A519 WeakPolarHBondContact O-CB 3.48Å; M516-A519 PolarHBondContact O-N 3.48Å
520	V	37.7	Very low	34.3	Very low	103 Å²	103	95.2 Å²	95.2	62%	0.624	54%	0.54	S	S	*	.	H	α-helix	trans	-98.1	-34.3	-174.6	179.7	0	0	0	0	112.3	M516	M516-V520 WeakPolarHBondContact O-CA 3.48Å; M516-V520 WeakPolarHBondContact O-CB 3.39Å; M516-V520 WeakPolarHBondContact O-CG2 3.12Å; M516-V520 PolarHBondContact O-N 3.41Å
521	T	39.8	Very low	33.7	Very low	83 Å²	83	95.3 Å²	95.3	51%	0.509	54%	0.543	S	S	.	.	H	α-helix	trans	-123.2	-10.3	-172.6	67.2	0	0	0	0	115.4	G517 Q523	G517-T521 PolarHBondContact O-N 3.46Å; G517-T521 PolarHBondContact O-OG1 2.8Å; T521-Q523 PolarHBondContact O-N 3.07Å
522	G	33.3	Very low	32.7	Very low	19 Å²	19	100.3 Å²	100.3	20%	0.196	58%	0.575	C	S	.	*	S	Bend	trans	57.8	16.2	-174.9	0	0	0	0	0	113.6	G517 V518	G517-G522 PolarHBondContact O-N 3.34Å; V518-G522 PolarHBondContact O-N 3.12Å
523	Q	30	Very low	32	Very low	105 Å²	105	104 Å²	104	49%	0.491	59%	0.586	S	S	.	*	S	Bend	trans	-122.9	136.5	-179.5	-69.5	-176.3	1.4	0	0	109.8	T521 G525	T521-Q523 PolarHBondContact O-N 3.07Å; Q523-G525 PolarHBondContact O-N 2.84Å
524	I	27.8	Very low	31.2	Very low	120 Å²	120	103.7 Å²	103.7	62%	0.615	60%	0.597	S	S	*	*			trans	-76.9	76.1	164	-54.5	172.3	0	0	0	106.7	V452 T526	V452-I524 HydrophobicContact CG1-CD1 4.41Å; I524-T526 PolarHBondContact O-N 2.73Å; I524-T526 VanDerWaalsContact O-N 3.14Å
525	G	27.8	Very low	30.2	Very low	62 Å²	62	110.9 Å²	110.9	64%	0.639	64%	0.638	S	S	*	*			trans	-75	97.4	176.7	0	0	0	0	0	110.3	Q523 S527	Q523-G525 PolarHBondContact O-N 2.84Å; G525-S527 PolarHBondContact O-N 3.4Å
526	T	25.1	Very low	29.5	Very low	126 Å²	126	113.6 Å²	113.6	77%	0.773	66%	0.655	S	S	*	*			trans	-68.3	119.7	157.1	53.6	0	0	0	0	107.6	I524	I524-T526 PolarHBondContact O-N 2.73Å; I524-T526 VanDerWaalsContact O-N 3.14Å
527	S	24.5	Very low	29	Very low	110 Å²	110	113.8 Å²	113.8	77%	0.769	66%	0.662	S	S	*	*	S	Bend	trans	0.9	113.7	171.3	-170.6	0	0	0	0	116.9	G525	G525-S527 PolarHBondContact O-N 3.4Å
528	Q	22.7	Very low	28.8	Very low	187 Å²	187	119 Å²	119	87%	0.874	69%	0.686	S	S	*	*			trans	63.5	94.8	161.8	-58.9	-164.6	4.6	0	0	118.6
529	S	24.8	Very low	28	Very low	113 Å²	113	124.9 Å²	124.9	79%	0.79	72%	0.72	S	S	*	*			trans	-137.9	110	135.5	61.6	0	0	0	0	108.7
530	K	23.4	Very low	27.4	Very low	197 Å²	197	127.3 Å²	127.3	86%	0.857	72%	0.72	S	S	*	*			trans	-55.8	135.6	171.8	-82.1	179.8	173.7	179.1	0	109.3	T532	K530-T532 PolarHBondContact O-N 2.99Å; K530-T532 VanDerWaalsContact O-N 3.17Å
531	P	27.7	Very low	26.7	Very low	101 Å²	101	128.9 Å²	128.9	66%	0.656	73%	0.726	S	S	*	*			trans	-74.2	106.8	171.9	29.2	-29.6	0	0	0	108.7	Y533	P531-Y533 HydrophobicContact CB-CD2 4.42Å; P531-Y533 HydrophobicContact CB-CE2 4.17Å; P531-Y533 HydrophobicContact CG-CE2 4.29Å; P531-Y533 PolarHBondContact O-N 2.73Å
532	T	22.1	Very low	25.8	Very low	129 Å²	129	132.1 Å²	132.1	79%	0.791	74%	0.742	S	S	*	*			trans	-75.6	99.4	158.3	16.1	0	0	0	0	107.6	K530 C534	K530-T532 PolarHBondContact O-N 2.99Å; K530-T532 VanDerWaalsContact O-N 3.17Å; T532-C534 PolarHBondContact O-N 3.42Å
533	Y	24.6	Very low	25.2	Very low	215 Å²	215	140.8 Å²	140.8	84%	0.843	78%	0.784	S	S	*	*			trans	-66	107.6	157.3	-71.7	-87.6	0	0	0	107.3	P531	P531-Y533 HydrophobicContact CB-CD2 4.42Å; P531-Y533 HydrophobicContact CB-CE2 4.17Å; P531-Y533 HydrophobicContact CG-CE2 4.29Å; P531-Y533 PolarHBondContact O-N 2.73Å
534	C	21.6	Very low	24.8	Very low	115 Å²	115	143.8 Å²	143.8	78%	0.777	81%	0.808	S	S	*	*			trans	-113.1	108	163.7	-89.7	0	0	0	0	108.1	T532	T532-C534 PolarHBondContact O-N 3.42Å
535	L	25.9	Very low	24.6	Very low	251 Å²	251	146 Å²	146	100%	1.314	83%	0.826	S	S	*	*			trans	58.8	0	168.1	-70	162.6	0	0	0	117.2

Retrieved 535 of 535 residues in 177.2 ms (Link to these results)

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