A0A087YLZ4_POEFO Loading...

Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial

Flavoprotein (FP) subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q).

AlphaFold DB , UniProt , Accession A0A087YLZ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 665 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	28.2	Very low	245 Å²	245	158.1 Å²	158.1	100%	1.207	88%	0.881	S	S	*	*				0	127.2	0	-73.6	-173.3	-158.4	0	0	108.8
2	A	26.1	Very low	28.3	Very low	97 Å²	97	153.1 Å²	153.1	80%	0.802	87%	0.865	S	S	*	*			trans	-56.2	135.4	170.2	0	0	0	0	0	110.5
3	S	26.4	Very low	28.2	Very low	107 Å²	107	156.2 Å²	156.2	75%	0.748	86%	0.863	S	S	*	*				160.9	132.2	99.5	48.8	0	0	0	0	102.8
4	V	31.3	Very low	28.1	Very low	132 Å²	132	162.6 Å²	162.6	80%	0.8	87%	0.867	S	S	*	*				-167.9	110.6	69.3	168.1	0	0	0	0	105.6
5	R	29.3	Very low	28.1	Very low	254 Å²	254	161.1 Å²	161.1	96%	0.958	87%	0.866	S	S	*	*			trans	-147	84.6	163.4	-93.7	-170.2	177.5	-178.4	0.2	107.7
6	A	26.7	Very low	28.4	Very low	98 Å²	98	161.9 Å²	161.9	81%	0.81	87%	0.869	S	S	*	*			trans	-158.9	88.5	167.8	0	0	0	0	0	109.5
7	A	25.1	Very low	28.3	Very low	94 Å²	94	157.2 Å²	157.2	78%	0.777	86%	0.858	S	S	*	*			trans	-159.2	127.2	153.4	0	0	0	0	0	109.6
8	S	27.3	Very low	28.2	Very low	121 Å²	121	156.8 Å²	156.8	85%	0.846	85%	0.854	S	S	*	*			trans	86	57.5	167.6	82.8	0	0	0	0	119.4
9	R	28.6	Very low	28.3	Very low	241 Å²	241	154.7 Å²	154.7	91%	0.909	85%	0.848	S	S	*	*			trans	-138.4	95.5	141.1	-86.5	-170.6	-179.1	-174.3	0.2	108.7
10	L	27.1	Very low	28.2	Very low	165 Å²	165	156.8 Å²	156.8	86%	0.864	85%	0.848	S	S	*	*			trans	164	100.1	154.5	-93.5	151.6	0	0	0	107.8
11	L	27.9	Very low	28.6	Very low	185 Å²	185	154.3 Å²	154.3	97%	0.969	85%	0.848	S	S	*	*			trans	-173	71.3	148.5	-98.5	156.8	0	0	0	107.8
12	S	29.3	Very low	28.4	Very low	98 Å²	98	149 Å²	149	69%	0.685	83%	0.829	S	S	*	*			trans	-100.8	118.6	159.9	57.9	0	0	0	0	107.9
13	K	26.3	Very low	28.5	Very low	194 Å²	194	149.9 Å²	149.9	84%	0.843	83%	0.827	S	S	*	*			trans	156.7	134.1	135.3	-88	172.6	178.6	-179.7	0	112.3
14	R	27.3	Very low	28.9	Very low	245 Å²	245	150 Å²	150	93%	0.925	84%	0.835	S	S	*	*			trans	80	121.2	171.9	-61	177	170.8	179	-3.5	112.9
15	V	28.1	Very low	28.8	Very low	140 Å²	140	147.8 Å²	147.8	85%	0.848	83%	0.83	S	S	*	*			cis	-149.2	127.3	43.7	169.8	0	0	0	0	110.8
16	L	32.2	Very low	29	Very low	175 Å²	175	140.2 Å²	140.2	92%	0.916	82%	0.822	S	S	*	*			trans	-87.5	129.6	157.1	-91.4	150	0	0	0	107.6
17	A	26.9	Very low	29.2	Very low	81 Å²	81	142.2 Å²	142.2	67%	0.669	82%	0.824	S	S	*	*			trans	171.8	141.5	138.5	0	0	0	0	0	111.6
18	N	27.2	Very low	29.4	Very low	150 Å²	150	146.4 Å²	146.4	80%	0.802	83%	0.827	S	S	*	*			trans	80.3	119.2	168	-60.9	-14.6	0	0	0	115.5
19	T	28.9	Very low	29.5	Very low	118 Å²	118	143.6 Å²	143.6	72%	0.724	82%	0.817	S	S	*	*			cis	-168.3	142	23.3	11	0	0	0	0	111.9
20	K	26.9	Very low	29.5	Very low	196 Å²	196	136.5 Å²	136.5	85%	0.852	80%	0.804	S	S	*	*			trans	71.2	110.9	149.5	-67.1	-176.4	177.9	-178.4	0	121
21	A	36.9	Very low	29.7	Very low	104 Å²	104	139.3 Å²	139.3	86%	0.86	80%	0.804	S	S	*	*			trans	-78	139.7	156.7	0	0	0	0	0	111.5
22	V	29.9	Very low	29.6	Very low	133 Å²	133	135.4 Å²	135.4	81%	0.806	78%	0.784	S	S	*	*			trans	-143.4	143.3	162.6	174.3	0	0	0	0	106.6
23	P	29	Very low	29.5	Very low	116 Å²	116	139.1 Å²	139.1	75%	0.753	79%	0.788	S	S	*	*			trans	-77.4	161.7	-151.3	1.7	12.4	0	0	0	114.6	A25	P23-A25 VanDerWaalsContact C-N 3.28Å; P23-A25 PolarHBondContact O-N 3.05Å
24	A	34.5	Very low	29.6	Very low	111 Å²	111	136.7 Å²	136.7	92%	0.917	78%	0.779	S	S	*	*			trans	-59.7	86.4	165.5	0	0	0	0	0	110.6
25	A	28.6	Very low	29.9	Very low	85 Å²	85	133.3 Å²	133.3	70%	0.702	77%	0.772	S	S	*	*			trans	-78.3	125	162.3	0	0	0	0	0	108	P23 V27	P23-A25 VanDerWaalsContact C-N 3.28Å; P23-A25 PolarHBondContact O-N 3.05Å; A25-V27 PolarHBondContact O-N 3.22Å
26	A	34.7	Very low	30.2	Very low	94 Å²	94	130.1 Å²	130.1	78%	0.777	76%	0.755	S	S	*	*			trans	-49.3	107	176.3	0	0	0	0	0	111.1	Q28	A26-Q28 PolarHBondContact O-N 2.97Å
27	V	30.3	Very low	30.8	Very low	140 Å²	140	125.5 Å²	125.5	85%	0.848	73%	0.731	S	S	*	*			trans	-76.1	84.3	156.2	-178.2	0	0	0	0	105.4	A25 G29	A25-V27 PolarHBondContact O-N 3.22Å; V27-G29 PolarHBondContact O-N 2.97Å
28	Q	30.2	Very low	31.9	Very low	183 Å²	183	126.6 Å²	126.6	86%	0.855	72%	0.718	S	S	*	*			trans	-61	84.9	152.9	-91	-178.2	-26.4	0	0	106.4	A26 S30	A26-Q28 PolarHBondContact O-N 2.97Å; Q28-S30 PolarHBondContact O-N 2.73Å
29	G	28.4	Very low	32.7	Very low	62 Å²	62	120.3 Å²	120.3	64%	0.639	69%	0.689	S	S	*	*			trans	-67	88.3	157.9	0	0	0	0	0	106.3	V27 R31	V27-G29 PolarHBondContact O-N 2.97Å; G29-R31 PolarHBondContact O-N 2.78Å
30	S	29.9	Very low	33.5	Very low	91 Å²	91	123 Å²	123	64%	0.636	69%	0.691	S	S	*	*			trans	-59.6	97.2	161.9	56.8	0	0	0	0	106.2	Q28 N32	Q28-S30 PolarHBondContact O-N 2.73Å; S30-N32 PolarHBondContact O-N 2.87Å
31	R	30.1	Very low	34.6	Very low	224 Å²	224	119.1 Å²	119.1	85%	0.845	67%	0.674	S	S	*	*			trans	-62.7	94.8	156.3	-77.4	-173.8	174.4	-177.3	-0.6	104.7	G29 F33	G29-R31 PolarHBondContact O-N 2.78Å; R31-F33 VanDerWaalsContact C-N 3.3Å; R31-F33 PolarHBondContact O-N 3.17Å
32	N	25.5	Very low	34.8	Very low	103 Å²	103	124.6 Å²	124.6	55%	0.551	68%	0.678	S	S	*	*			trans	-59.4	103.7	165.7	-73.5	-1.9	0	0	0	105.7	S30 H34	S30-N32 PolarHBondContact O-N 2.87Å; N32-H34 VanDerWaalsContact CB-CD2 3.47Å; N32-H34 WeakPolarHBondContact CB-CD2 3.31Å; N32-H34 PolarHBondContact ND2-NE2 3.12Å; N32-H34 PolarHBondContact O-N 2.88Å
33	F	27.1	Very low	35.9	Very low	176 Å²	176	121 Å²	121	77%	0.772	66%	0.659	S	S	*	*			trans	-65.2	76.4	157	-87.2	-90.1	0	0	0	106.4	R31 F35	R31-F33 VanDerWaalsContact C-N 3.3Å; R31-F33 PolarHBondContact O-N 3.17Å; F33-F35 PolarHBondContact O-N 3.33Å; F33-F35 VanDerWaalsContact O-N 3.16Å
34	H	28.9	Very low	37.4	Very low	144 Å²	144	116.7 Å²	116.7	67%	0.667	63%	0.633	S	S	*	*			trans	-75.1	99.9	167.2	-84.3	-54.5	0	0	0	106.9	N32 S36	N32-H34 VanDerWaalsContact CB-CD2 3.47Å; N32-H34 WeakPolarHBondContact CB-CD2 3.31Å; N32-H34 PolarHBondContact ND2-NE2 3.12Å; N32-H34 PolarHBondContact O-N 2.88Å; H34-S36 VanDerWaalsContact C-N 3.35Å; H34-S36 PolarHBondContact O-N 3.01Å
35	F	33.3	Very low	39	Very low	174 Å²	174	118.7 Å²	118.7	76%	0.763	62%	0.621	S	S	*	*			trans	-63.5	105.3	146.4	-66.1	-88.5	0	0	0	105.3	F33	F33-F35 PolarHBondContact O-N 3.33Å; F33-F35 VanDerWaalsContact O-N 3.16Å
36	S	35.1	Very low	40.8	Very low	72 Å²	72	118.7 Å²	118.7	50%	0.503	61%	0.612	S	S	.	*			trans	-101.1	133.5	169.5	46.2	0	0	0	0	108.2	H34 Y38	H34-S36 VanDerWaalsContact C-N 3.35Å; H34-S36 PolarHBondContact O-N 3.01Å; S36-Y38 WeakPolarHBondContact CB-O 3.35Å; S36-Y38 CarbonylContact O-C 3.55Å; S36-Y38 PolarHBondContact O-N 2.81Å; S36-Y38 PolarHBondContact OG-O 2.92Å
37	I	45.4	Very low	42	Very low	79 Å²	79	115 Å²	115	41%	0.405	58%	0.582	S	S	.	*	S	Bend	trans	-47.8	-18.6	164.9	-63.6	166.8	0	0	0	111.7
38	Y	49	Very low	43.2	Very low	104 Å²	104	113.9 Å²	113.9	41%	0.408	57%	0.571	S	S	.	*	S	Bend	trans	-110.9	125.9	175.5	-55.3	-73.7	0	0	0	108.6	S36 A44 V57	S36-Y38 WeakPolarHBondContact CB-O 3.35Å; S36-Y38 CarbonylContact O-C 3.55Å; S36-Y38 PolarHBondContact O-N 2.81Å; S36-Y38 PolarHBondContact OG-O 2.92Å; Y38-A44 HydrophobicContact CD1-CB 3.54Å; Y38-A44 HydrophobicContact CE1-CB 3.9Å; Y38-V57 HydrophobicContact CE1-CG1 4.35Å
39	G	44.8	Very low	44.3	Very low	18 Å²	18	111.1 Å²	111.1	19%	0.186	56%	0.562	C	S	.	*			trans	-51.3	174	170.2	0	0	0	0	0	112.5	K41	G39-K41 PolarHBondContact O-N 2.78Å
40	K	44.9	Very low	45.5	Very low	175 Å²	175	109.3 Å²	109.3	76%	0.761	54%	0.538	S	S	*	.	S	Bend	trans	-54.3	-3.5	-172.9	-79.2	-179.7	177.4	171.5	0	116.4
41	K	49.4	Very low	46.7	Very low	113 Å²	113	106 Å²	106	49%	0.491	52%	0.515	S	S	.	.	S	Bend	trans	-129.1	133.7	-179.4	-69.3	176.5	-177.9	163.7	0	111.9	G39 S43 D211	G39-K41 PolarHBondContact O-N 2.78Å; K41-S43 PolarHBondContact O-N 2.96Å; K41-D211 IonicContact NZ-OD2 3.88Å
42	K	42.2	Very low	48.4	Very low	219 Å²	219	102 Å²	102	95%	0.952	52%	0.515	S	S	*	.	S	Bend	trans	-74.1	50.3	-179	-70.9	-176.1	172.3	-177.9	0	114.1
43	S	53.5	Low	51.1	Low	57 Å²	57	103.7 Å²	103.7	40%	0.399	52%	0.52	S	S	.	.			trans	-102.1	-5.2	177.4	55.3	0	0	0	0	114.6	K41	K41-S43 PolarHBondContact O-N 2.96Å
44	A	58.9	Low	54	Low	27 Å²	27	95.7 Å²	95.7	22%	0.223	49%	0.485	C	S	.	.			trans	-72.9	136.6	-176.1	0	0	0	0	0	112.5	Y38 V57 D58	Y38-A44 HydrophobicContact CD1-CB 3.54Å; Y38-A44 HydrophobicContact CE1-CB 3.9Å; A44-V57 HydrophobicContact CB-CG1 3.82Å; A44-D58 VanDerWaalsContact CA-O 3.26Å; A44-D58 WeakPolarHBondContact CA-O 3.41Å
45	K	69.8	Low	56.7	Low	153 Å²	153	92 Å²	92	67%	0.665	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.5	175	-66.6	-180	-177.9	174.1	0	109.5	V57 D58	K45-V57 WeakPolarHBondContact O-CA 3.47Å; K45-D58 PolarHBondContact N-O 3.16Å; K45-D58 VanDerWaalsContact N-O 3.1Å; K45-D58 PolarHBondContact O-N 3.34Å
46	V	65.8	Low	59.5	Low	85 Å²	85	83.7 Å²	83.7	52%	0.515	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.6	171.4	-175.8	0	0	0	0	107.7	V56	V46-V56 WeakPolarHBondContact CA-O 3.4Å
47	A	58.9	Low	62.4	Low	17 Å²	17	80.6 Å²	80.6	14%	0.14	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.8	177	0	0	0	0	0	109.9	V56	A47-V56 PolarHBondContact N-O 3.1Å; A47-V56 PolarHBondContact O-N 2.68Å
48	D	55.5	Low	64.7	Low	115 Å²	115	78.2 Å²	78.2	62%	0.615	40%	0.403	S	S	*	.			trans	-93.2	3	177.5	-64	-29	0	0	0	112.2	I50	D48-I50 VanDerWaalsContact C-N 3.33Å; D48-I50 PolarHBondContact O-N 2.71Å
49	D	53	Low	67	Low	125 Å²	125	73.5 Å²	73.5	67%	0.668	39%	0.385	S	S	*	.	S	Bend	trans	-73	-16.2	-165	-65.3	-25.7	0	0	0	115
50	I	55.3	Low	69.5	Low	24 Å²	24	77.1 Å²	77.1	12%	0.123	40%	0.397	C	S	.	.	S	Bend	trans	-101.7	-38.6	-174	-63	170.2	0	0	0	112.5	D48 V56 P487 E491	D48-I50 VanDerWaalsContact C-N 3.33Å; D48-I50 PolarHBondContact O-N 2.71Å; I50-V56 HydrophobicContact CB-CG2 3.97Å; I50-V56 HydrophobicContact CD1-CB 4.31Å; I50-V56 HydrophobicContact CD1-CG1 3.92Å; I50-V56 HydrophobicContact CD1-CG2 4.01Å; I50-V56 HydrophobicContact CG1-CG2 4.48Å; I50-V56 HydrophobicContact CG2-CG2 4.48Å; I50-P487 WeakPolarHBondContact CD1-O 3.47Å; I50-P487 WeakPolarHBondContact CG1-O 3.35Å; I50-E491 HydrophobicContact CG2-CB 3.9Å
51	S	54.1	Low	72	Confident	23 Å²	23	69.4 Å²	69.4	16%	0.161	36%	0.363	C	S	.	.			trans	-153.3	124.4	178.4	-178.5	0	0	0	0	109	Q53 Y54	S51-Q53 PolarHBondContact O-N 3Å; S51-Q53 VanDerWaalsContact O-N 3.16Å; S51-Q53 PolarHBondContact OG-N 2.85Å; S51-Q53 VanDerWaalsContact OG-N 3.15Å; S51-Y54 PolarHBondContact OG-N 2.75Å
52	T	65.3	Low	74.3	Confident	139 Å²	139	65 Å²	65	85%	0.853	35%	0.345	S	S	*	.	S	Bend	trans	-65.3	-12.9	169.8	51.3	0	0	0	0	112.5
53	Q	82.6	Confident	77	Confident	138 Å²	138	54.6 Å²	54.6	65%	0.645	30%	0.3	S	S	*	.	S	Bend	trans	-100.9	-26.4	-176.3	-57.1	-175.1	27.9	0	0	113.5	S51	S51-Q53 PolarHBondContact O-N 3Å; S51-Q53 VanDerWaalsContact O-N 3.16Å; S51-Q53 PolarHBondContact OG-N 2.85Å; S51-Q53 VanDerWaalsContact OG-N 3.15Å
54	Y	88.7	Confident	79.1	Confident	9 Å²	9	51.9 Å²	51.9	4%	0.035	28%	0.281	C	S	.	.	S	Bend	trans	-123.7	111.5	-178.1	-66.3	-86.2	0	0	0	110	S51 V56 I243 V494 L497 D498 R501 I557	S51-Y54 PolarHBondContact OG-N 2.75Å; Y54-V56 PolarHBondContact O-N 3.37Å; Y54-I243 HydrophobicContact CD1-CG1 4.44Å; Y54-V494 HydrophobicContact CD2-CG1 3.7Å; Y54-V494 HydrophobicContact CE2-CG1 4.38Å; Y54-V494 HydrophobicContact CG-CG1 4.03Å; Y54-L497 HydrophobicContact CE1-CD2 4.11Å; Y54-D498 HydrophobicContact CE2-CB 3.96Å; Y54-D498 VanDerWaalsContact CE2-OD1 3.31Å; Y54-D498 WeakPolarHBondContact CE2-OD1 3.45Å; Y54-D498 PolarHBondContact OH-OD1 3.3Å; Y54-R501 WeakPolarHBondContact OH-CD 3.43Å; Y54-R501 PolarHBondContact OH-NH1 3.49Å; Y54-I557 HydrophobicContact CE1-CD1 4.02Å; Y54-I557 HydrophobicContact CE1-CG1 4.41Å
55	P	85.9	Confident	81	Confident	65 Å²	65	50.6 Å²	50.6	42%	0.422	27%	0.27	S	S	.	.			trans	-64.4	130.7	178.4	27.3	-33.3	0	0	0	109.7	I243	P55-I243 PolarHBondContact O-N 3.25Å; P55-I243 VanDerWaalsContact O-N 3.14Å
56	V	91.7	Very high	82.4	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.3	179	-175.7	0	0	0	0	110.3	V46 A47 I50 Y54 I243 R245	V46-V56 WeakPolarHBondContact CA-O 3.4Å; A47-V56 PolarHBondContact N-O 3.1Å; A47-V56 PolarHBondContact O-N 2.68Å; I50-V56 HydrophobicContact CB-CG2 3.97Å; I50-V56 HydrophobicContact CD1-CB 4.31Å; I50-V56 HydrophobicContact CD1-CG1 3.92Å; I50-V56 HydrophobicContact CD1-CG2 4.01Å; I50-V56 HydrophobicContact CG1-CG2 4.48Å; I50-V56 HydrophobicContact CG2-CG2 4.48Å; Y54-V56 PolarHBondContact O-N 3.37Å; V56-I243 CarbonylContact C-O 3.4Å; V56-I243 VanDerWaalsContact CA-O 3.31Å; V56-I243 WeakPolarHBondContact CA-O 3.46Å; V56-I243 HydrophobicContact CG2-CB 4.26Å; V56-I243 HydrophobicContact CG2-CG2 4.24Å; V56-R245 HydrophobicContact CG1-CG 3.94Å
57	V	94.9	Very high	84	Confident	7 Å²	7	40 Å²	40	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.8	176.3	-169	0	0	0	0	109.6	Y38 A44 K45 H59 I243 H244 R245	Y38-V57 HydrophobicContact CE1-CG1 4.35Å; A44-V57 HydrophobicContact CB-CG1 3.82Å; K45-V57 WeakPolarHBondContact O-CA 3.47Å; V57-H59 VanDerWaalsContact CG1-NE2 3.28Å; V57-H59 WeakPolarHBondContact CG1-NE2 3.35Å; V57-H59 PolarHBondContact O-CD2 3.18Å; V57-I243 PolarHBondContact N-O 2.95Å; V57-H244 CarbonylContact O-C 3.52Å; V57-H244 VanDerWaalsContact O-CA 3.26Å; V57-H244 WeakPolarHBondContact O-CA 3.44Å; V57-R245 PolarHBondContact O-N 3.05Å
58	D	95.1	Very high	85.9	Confident	29 Å²	29	39.2 Å²	39.2	16%	0.155	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	132	177.3	-71.8	-26.6	0	0	0	111.4	A44 K45 R245	A44-D58 VanDerWaalsContact CA-O 3.26Å; A44-D58 WeakPolarHBondContact CA-O 3.41Å; K45-D58 PolarHBondContact N-O 3.16Å; K45-D58 VanDerWaalsContact N-O 3.1Å; K45-D58 PolarHBondContact O-N 3.34Å; D58-R245 VanDerWaalsContact CG-NH2 3.28Å; D58-R245 WeakPolarHBondContact OD1-CB 3.3Å; D58-R245 IonicContact OD1-CZ 3.02Å; D58-R245 VanDerWaalsContact OD1-CZ 3.23Å; D58-R245 IonicContact OD1-NE 2.77Å; D58-R245 PolarHBondContact OD1-NE 2.92Å; D58-R245 IonicContact OD1-NH2 2.68Å; D58-R245 PolarHBondContact OD1-NH2 3.15Å; D58-R245 IonicContact OD2-CZ 3.36Å; D58-R245 IonicContact OD2-NE 3.28Å; D58-R245 IonicContact OD2-NH2 3.96Å; D58-R245 PolarHBondContact OD2-NH2 2.92Å
59	H	96.4	Very high	87.9	Confident	5 Å²	5	34.1 Å²	34.1	2%	0.023	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.3	175	-56.1	-93.3	0	0	0	110.3	V57 F61 F215 H244 R245 F246 R247	V57-H59 VanDerWaalsContact CG1-NE2 3.28Å; V57-H59 WeakPolarHBondContact CG1-NE2 3.35Å; V57-H59 PolarHBondContact O-CD2 3.18Å; H59-F61 HydrophobicContact CB-CD2 4.03Å; H59-F61 HydrophobicContact CB-CE2 3.78Å; H59-F215 AromaticContact CE1-CE1 3.99Å; H59-H244 AromaticContact CD2-ND1 3.57Å; H59-H244 AromaticContact CE1-ND1 3.68Å; H59-H244 AromaticContact NE2-CE1 3.43Å; H59-H244 PolarHBondContact NE2-CE1 2.95Å; H59-H244 AromaticContact NE2-CG 3.74Å; H59-H244 AromaticContact NE2-ND1 2.8Å; H59-H244 PolarHBondContact NE2-ND1 3.21Å; H59-R245 PolarHBondContact N-O 3.04Å; H59-F246 HydrophobicContact CB-CD1 3.94Å; H59-F246 HydrophobicContact CB-CE1 4.31Å; H59-F246 AromaticContact CD2-CE1 3.91Å; H59-F246 AromaticContact CG-CE1 3.97Å; H59-R247 WeakPolarHBondContact O-CB 3.49Å; H59-R247 PolarHBondContact O-N 3.29Å
60	E	97.5	Very high	90.1	Very high	95 Å²	95	28.2 Å²	28.2	44%	0.444	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.7	174	-66.6	-173.9	166.7	0	0	109.6	R247 L482	E60-R247 HydrophobicContact CG-CB 4.49Å; E60-R247 IonicContact OE1-CZ 3.85Å; E60-R247 IonicContact OE1-NH1 2.77Å; E60-R247 PolarHBondContact OE1-NH1 2.79Å; E60-R247 IonicContact OE1-NH2 2.75Å; E60-L482 HydrophobicContact CB-CD1 3.77Å; E60-L482 HydrophobicContact CG-CD1 3.88Å
61	F	97.8	Very high	92.2	Very high	12 Å²	12	27.3 Å²	27.3	5%	0.053	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	161.2	178	-75.3	-85.8	0	0	0	109.6	H59 N85 A87 F215 F246 R247 A248	H59-F61 HydrophobicContact CB-CD2 4.03Å; H59-F61 HydrophobicContact CB-CE2 3.78Å; F61-N85 WeakPolarHBondContact CD1-ND2 3.45Å; F61-A87 HydrophobicContact CB-CB 4.45Å; F61-A87 HydrophobicContact CD1-CB 3.93Å; F61-A87 HydrophobicContact CD2-CB 3.66Å; F61-A87 HydrophobicContact CE1-CB 4.06Å; F61-A87 HydrophobicContact CE2-CB 3.76Å; F61-A87 HydrophobicContact CG-CB 3.75Å; F61-A87 HydrophobicContact CZ-CB 3.98Å; F61-F215 AromaticContact CE2-CE2 3.88Å; F61-F215 HydrophobicContact CE2-CE2 3.88Å; F61-F215 HydrophobicContact CE2-CZ 4.02Å; F61-F215 AromaticContact CZ-CE2 3.76Å; F61-F215 HydrophobicContact CZ-CE2 3.76Å; F61-F215 AromaticContact CZ-CZ 3.98Å; F61-F215 HydrophobicContact CZ-CZ 3.98Å; F61-F246 HydrophobicContact CD2-CD1 4.42Å; F61-F246 HydrophobicContact CE2-CD1 4.32Å; F61-R247 PolarHBondContact N-O 3.17Å; F61-A248 VanDerWaalsContact O-CA 3.3Å; F61-A248 WeakPolarHBondContact O-CA 3.38Å
62	D	97.5	Very high	94.3	Very high	21 Å²	21	26.2 Å²	26.2	11%	0.112	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-39.3	171.9	-58.4	-44.9	0	0	0	110.1	F84 N85 Q249 N250 G479	D62-F84 HydrophobicContact CB-CB 4.19Å; D62-F84 HydrophobicContact CB-CD1 3.75Å; D62-F84 HydrophobicContact CB-CG 4.47Å; D62-N85 PolarHBondContact N-O 3.37Å; D62-N85 WeakPolarHBondContact OD2-CB 3.36Å; D62-N85 PolarHBondContact OD2-N 2.96Å; D62-Q249 PolarHBondContact O-N 2.9Å; D62-N250 PolarHBondContact O-N 3.33Å; D62-G479 WeakPolarHBondContact OD1-CA 3.46Å; D62-G479 PolarHBondContact OD1-N 2.56Å
63	A	98.3	Very high	95.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.9	178.1	0	0	0	0	0	112.5	L79 N85 T86 A87 N250	A63-L79 HydrophobicContact CB-CD1 3.84Å; A63-L79 HydrophobicContact CB-CD2 4.44Å; A63-N85 PolarHBondContact N-O 3.18Å; A63-T86 HydrophobicContact CB-CG2 4.38Å; A63-T86 WeakPolarHBondContact O-CA 3.3Å; A63-A87 PolarHBondContact O-N 3.24Å; A63-N250 CarbonylContact C-O 3.19Å; A63-N250 WeakPolarHBondContact CA-O 3.28Å; A63-N250 HydrophobicContact CB-CB 4.39Å
64	V	98.8	Very high	96.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.4	170.1	63.7	0	0	0	0	110.3	A87 V89 V233 F246 A248 N250 T251 V252	V64-A87 CarbonylContact C-O 3.58Å; V64-A87 WeakPolarHBondContact CA-O 3.44Å; V64-A87 HydrophobicContact CG2-CB 4.18Å; V64-V89 HydrophobicContact CG2-CG2 3.84Å; V64-V233 HydrophobicContact CG1-CG2 4.42Å; V64-V233 HydrophobicContact CG2-CG2 4.06Å; V64-F246 HydrophobicContact CG2-CB 4.07Å; V64-F246 HydrophobicContact CG2-CG 4.5Å; V64-A248 HydrophobicContact CB-CB 4.16Å; V64-A248 HydrophobicContact CG1-CB 3.87Å; V64-N250 PolarHBondContact N-O 2.89Å; V64-T251 HydrophobicContact CG1-CG2 3.96Å; V64-T251 WeakPolarHBondContact CG1-OG1 3.35Å; V64-T251 CarbonylContact O-C 3.44Å; V64-T251 VanDerWaalsContact O-CA 3.31Å; V64-T251 WeakPolarHBondContact O-CA 3.46Å; V64-V252 PolarHBondContact O-N 2.96Å
65	V	98.9	Very high	97.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.9	174.2	-176.5	0	0	0	0	108.5	A75 A76 L79 T86 A87 C88 V89 V252	V65-A75 HydrophobicContact CG2-CB 4.47Å; V65-A76 HydrophobicContact CB-CB 4.22Å; V65-A76 HydrophobicContact CG2-CB 3.95Å; V65-L79 HydrophobicContact CG2-CD1 3.89Å; V65-T86 HydrophobicContact CG2-CG2 4.09Å; V65-A87 PolarHBondContact N-O 2.92Å; V65-C88 CarbonylContact O-C 3.52Å; V65-C88 WeakPolarHBondContact O-CA 3.47Å; V65-V89 PolarHBondContact O-N 3.5Å; V65-V252 CarbonylContact C-O 3.52Å; V65-V252 WeakPolarHBondContact CA-O 3.46Å; V65-V252 HydrophobicContact CB-CB 4.48Å; V65-V252 HydrophobicContact CG1-CB 4.32Å; V65-V252 HydrophobicContact CG2-CB 4.12Å; V65-V252 HydrophobicContact CG2-CG2 4.26Å
66	V	98.9	Very high	97.8	Very high	6 Å²	6	9.8 Å²	9.8	4%	0.036	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	108.8	177.9	-171.6	0	0	0	0	109.7	V89 A220 V233 V252 A254 T255 M278	V66-V89 CarbonylContact C-O 3.47Å; V66-V89 WeakPolarHBondContact CA-O 3.38Å; V66-A220 HydrophobicContact CG1-CB 3.56Å; V66-V233 HydrophobicContact CG2-CB 4.47Å; V66-V233 HydrophobicContact CG2-CG1 3.88Å; V66-V233 HydrophobicContact CG2-CG2 4.01Å; V66-V252 PolarHBondContact N-O 3.48Å; V66-A254 CarbonylContact O-C 3.22Å; V66-A254 VanDerWaalsContact O-C 3.32Å; V66-A254 WeakPolarHBondContact O-CA 3.42Å; V66-A254 PolarHBondContact O-N 2.93Å; V66-T255 HydrophobicContact CB-CG2 4.35Å; V66-T255 HydrophobicContact CG1-CG2 3.77Å; V66-T255 WeakPolarHBondContact O-CG2 3.31Å; V66-M278 HydrophobicContact CG1-CE 4.2Å
67	G	98.7	Very high	98.1	Very high	9 Å²	9	9.8 Å²	9.8	9%	0.093	5%	0.054	C	C	.	.			trans	113.7	139	-174.7	0	0	0	0	0	112	G72 V89	G67-G72 WeakPolarHBondContact O-CA 3.33Å; G67-V89 PolarHBondContact N-O 3.37Å
68	A	98.7	Very high	98.3	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.008	6%	0.055	C	C	.	.			trans	-125.5	32.9	-179.3	0	0	0	0	0	112.6	L73 T90 P94 S97	A68-L73 HydrophobicContact CB-CD2 4.21Å; A68-L73 HydrophobicContact CB-CG 4.42Å; A68-L73 WeakPolarHBondContact O-CG 3.31Å; A68-T90 HydrophobicContact CB-CG2 3.7Å; A68-P94 HydrophobicContact CB-CB 3.81Å; A68-P94 HydrophobicContact CB-CG 3.84Å; A68-S97 PolarHBondContact O-OG 3.26Å
69	G	98.6	Very high	98.4	Very high	9 Å²	9	8.3 Å²	8.3	9%	0.093	5%	0.047	C	C	.	.	S	Bend	trans	-73.8	-167.7	163.4	0	0	0	0	0	111.7	A71 G72 L73 S97	G69-A71 VanDerWaalsContact C-N 3.34Å; G69-A71 PolarHBondContact O-N 3.26Å; G69-G72 PolarHBondContact O-N 3.15Å; G69-L73 WeakPolarHBondContact O-CB 3.45Å; G69-L73 WeakPolarHBondContact O-CG 3.3Å; G69-L73 PolarHBondContact O-N 3.16Å; G69-S97 PolarHBondContact N-OG 3.27Å
70	G	98.6	Very high	98.5	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.01	5%	0.049	C	C	.	.	H	α-helix	trans	-55.4	-45.3	-178.5	0	0	0	0	0	113.6	R74 T99 L203	G70-R74 WeakPolarHBondContact O-CB 3.43Å; G70-R74 PolarHBondContact O-N 2.89Å; G70-R74 VanDerWaalsContact O-N 3.11Å; G70-T99 PolarHBondContact N-OG1 3.31Å; G70-T99 VanDerWaalsContact N-OG1 3.14Å; G70-L203 WeakPolarHBondContact O-CD1 3.27Å
71	A	98.8	Very high	98.5	Very high	5 Å²	5	8.7 Å²	8.7	4%	0.041	5%	0.05	C	C	.	.	H	α-helix	trans	-67.7	-48	-179.7	0	0	0	0	0	112.2	G69 R74 A75 A254 C439 L461	G69-A71 VanDerWaalsContact C-N 3.34Å; G69-A71 PolarHBondContact O-N 3.26Å; A71-R74 PolarHBondContact O-N 3.05Å; A71-A75 WeakPolarHBondContact O-CB 3.31Å; A71-A75 PolarHBondContact O-N 3.27Å; A71-A254 HydrophobicContact CB-CB 4.29Å; A71-C439 HydrophobicContact CB-CB 4.46Å; A71-L461 WeakPolarHBondContact CA-O 3.45Å; A71-L461 HydrophobicContact CB-CB 4.04Å; A71-L461 HydrophobicContact CB-CD2 4.01Å
72	G	98.7	Very high	98.5	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.8	-43.4	-178.9	0	0	0	0	0	113	G67 G69 A75 A76	G67-G72 WeakPolarHBondContact O-CA 3.33Å; G69-G72 PolarHBondContact O-N 3.15Å; G72-A75 PolarHBondContact O-N 3.01Å; G72-A76 WeakPolarHBondContact O-CB 3.13Å; G72-A76 PolarHBondContact O-N 3.33Å
73	L	98.9	Very high	98.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62	-47.5	173.7	-71.2	174.5	0	0	0	111.2	A68 G69 A75 A76 F77 P94 L200 L203 Y214	A68-L73 HydrophobicContact CB-CD2 4.21Å; A68-L73 HydrophobicContact CB-CG 4.42Å; A68-L73 WeakPolarHBondContact O-CG 3.31Å; G69-L73 WeakPolarHBondContact O-CB 3.45Å; G69-L73 WeakPolarHBondContact O-CG 3.3Å; G69-L73 PolarHBondContact O-N 3.16Å; L73-A75 VanDerWaalsContact C-N 3.3Å; L73-A75 PolarHBondContact O-N 3.39Å; L73-A76 PolarHBondContact O-N 2.98Å; L73-F77 WeakPolarHBondContact O-CD1 3.19Å; L73-F77 WeakPolarHBondContact O-CE1 3.33Å; L73-F77 PolarHBondContact O-N 2.96Å; L73-F77 VanDerWaalsContact O-N 3.09Å; L73-P94 HydrophobicContact CD1-CB 4.41Å; L73-P94 HydrophobicContact CD2-CB 4.3Å; L73-L200 HydrophobicContact CD1-CD1 3.74Å; L73-L203 HydrophobicContact CB-CB 4.2Å; L73-L203 HydrophobicContact CD1-CB 4.13Å; L73-Y214 HydrophobicContact CD2-CE1 3.82Å; L73-Y214 WeakPolarHBondContact CD2-OH 3.46Å
74	R	98.8	Very high	98.5	Very high	5 Å²	5	11.8 Å²	11.8	2%	0.019	9%	0.085	C	C	.	.	H	α-helix	trans	-61.7	-37.3	-179.3	-176.7	61.4	-170.5	87.5	-15.8	112.7	G70 A71 F77 G78 E151 V462 R466	G70-R74 WeakPolarHBondContact O-CB 3.43Å; G70-R74 PolarHBondContact O-N 2.89Å; G70-R74 VanDerWaalsContact O-N 3.11Å; A71-R74 PolarHBondContact O-N 3.05Å; R74-F77 VanDerWaalsContact CD-CZ 3.41Å; R74-G78 PolarHBondContact O-N 2.88Å; R74-E151 IonicContact CZ-OE1 2.72Å; R74-E151 IonicContact CZ-OE2 3.66Å; R74-E151 IonicContact NE-OE2 3.14Å; R74-E151 PolarHBondContact NE-OE2 2.95Å; R74-E151 VanDerWaalsContact NH2-CD 3.32Å; R74-E151 IonicContact NH2-OE1 3.65Å; R74-E151 PolarHBondContact NH2-OE1 3.43Å; R74-E151 IonicContact NH2-OE2 3.62Å; R74-E151 PolarHBondContact NH2-OE2 2.69Å; R74-V462 HydrophobicContact CG-CB 4.48Å; R74-V462 WeakPolarHBondContact CG-O 3.44Å; R74-R466 HydrophobicContact CG-CB 4.2Å; R74-R466 VanDerWaalsContact NH2-CD 3.27Å
75	A	98.8	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68.9	-49.6	173.6	0	0	0	0	0	111.6	V65 A71 G72 L73 G78 L79 V252 G465	V65-A75 HydrophobicContact CG2-CB 4.47Å; A71-A75 WeakPolarHBondContact O-CB 3.31Å; A71-A75 PolarHBondContact O-N 3.27Å; G72-A75 PolarHBondContact O-N 3.01Å; L73-A75 VanDerWaalsContact C-N 3.3Å; L73-A75 PolarHBondContact O-N 3.39Å; A75-G78 PolarHBondContact O-N 3.35Å; A75-L79 WeakPolarHBondContact O-CG 3.34Å; A75-L79 PolarHBondContact O-N 2.79Å; A75-V252 HydrophobicContact CB-CG1 4.36Å; A75-G465 VanDerWaalsContact CA-O 3.24Å; A75-G465 WeakPolarHBondContact CA-O 3.49Å; A75-G465 WeakPolarHBondContact CB-O 3.45Å
76	A	98.8	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.4	-49.8	-173	0	0	0	0	0	112.9	V65 G72 L73 G78 L79 S80 T86 C88 T212	V65-A76 HydrophobicContact CB-CB 4.22Å; V65-A76 HydrophobicContact CG2-CB 3.95Å; G72-A76 WeakPolarHBondContact O-CB 3.13Å; G72-A76 PolarHBondContact O-N 3.33Å; L73-A76 PolarHBondContact O-N 2.98Å; A76-G78 VanDerWaalsContact C-N 3.34Å; A76-L79 PolarHBondContact O-N 3.35Å; A76-S80 PolarHBondContact O-N 2.91Å; A76-S80 VanDerWaalsContact O-N 3.12Å; A76-S80 PolarHBondContact O-OG 3.48Å; A76-S80 VanDerWaalsContact O-OG 3.1Å; A76-T86 HydrophobicContact CB-CG2 4.44Å; A76-C88 HydrophobicContact CB-CB 4.08Å; A76-T212 HydrophobicContact CB-CG2 3.98Å
77	F	98.4	Very high	98.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-75.3	-25	176.5	74.9	-109.9	0	0	0	112.4	L73 R74 L79 S80 E81 F155 L203 R206 Y210	L73-F77 WeakPolarHBondContact O-CD1 3.19Å; L73-F77 WeakPolarHBondContact O-CE1 3.33Å; L73-F77 PolarHBondContact O-N 2.96Å; L73-F77 VanDerWaalsContact O-N 3.09Å; R74-F77 VanDerWaalsContact CD-CZ 3.41Å; F77-L79 VanDerWaalsContact C-N 3.33Å; F77-S80 PolarHBondContact O-N 2.87Å; F77-E81 WeakPolarHBondContact O-CB 3.41Å; F77-E81 PolarHBondContact O-N 3.46Å; F77-F155 HydrophobicContact CE2-CE2 4.28Å; F77-F155 HydrophobicContact CE2-CZ 4.38Å; F77-F155 AromaticContact CZ-CE2 4Å; F77-F155 HydrophobicContact CZ-CE2 4Å; F77-L203 HydrophobicContact CE1-CB 4.46Å; F77-L203 HydrophobicContact CE1-CD2 3.82Å; F77-L203 HydrophobicContact CZ-CD2 3.89Å; F77-R206 HydrophobicContact CE2-CG 4.37Å; F77-R206 HydrophobicContact CZ-CG 4.29Å; F77-Y210 HydrophobicContact CB-CD2 3.82Å; F77-Y210 HydrophobicContact CB-CE2 4.23Å; F77-Y210 HydrophobicContact CB-CG 4.3Å; F77-Y210 HydrophobicContact CD2-CD2 4.47Å; F77-Y210 HydrophobicContact CD2-CE2 4.02Å; F77-Y210 HydrophobicContact CG-CD2 4.39Å; F77-Y210 HydrophobicContact CG-CE2 4.35Å
78	G	98.6	Very high	98.5	Very high	6 Å²	6	12.8 Å²	12.8	6%	0.062	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-39.7	172.2	0	0	0	0	0	112.1	R74 A75 A76 A82	R74-G78 PolarHBondContact O-N 2.88Å; A75-G78 PolarHBondContact O-N 3.35Å; A76-G78 VanDerWaalsContact C-N 3.34Å; G78-A82 PolarHBondContact O-N 3.44Å; G78-A82 VanDerWaalsContact O-N 3.11Å
79	L	98.7	Very high	98.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.4	-45	172.8	-73.5	163.6	0	0	0	111.6	A63 V65 A75 A76 F77 E81 A82 G83 F84 T86 V252 A469 I472	A63-L79 HydrophobicContact CB-CD1 3.84Å; A63-L79 HydrophobicContact CB-CD2 4.44Å; V65-L79 HydrophobicContact CG2-CD1 3.89Å; A75-L79 WeakPolarHBondContact O-CG 3.34Å; A75-L79 PolarHBondContact O-N 2.79Å; A76-L79 PolarHBondContact O-N 3.35Å; F77-L79 VanDerWaalsContact C-N 3.33Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 3.12Å; L79-A82 CarbonylContact O-C 3.58Å; L79-A82 PolarHBondContact O-N 3.14Å; L79-G83 PolarHBondContact O-N 3.11Å; L79-F84 HydrophobicContact CB-CB 4.29Å; L79-F84 HydrophobicContact CD2-CD2 4.4Å; L79-F84 HydrophobicContact CD2-CG 4.43Å; L79-F84 WeakPolarHBondContact O-CB 3.41Å; L79-F84 PolarHBondContact O-N 2.88Å; L79-T86 HydrophobicContact CB-CG2 4.09Å; L79-T86 VanDerWaalsContact CB-OG1 3.3Å; L79-T86 WeakPolarHBondContact CB-OG1 3.45Å; L79-T86 HydrophobicContact CD1-CG2 4Å; L79-V252 HydrophobicContact CD1-CG2 4.4Å; L79-A469 HydrophobicContact CD2-CB 4.22Å; L79-A469 HydrophobicContact CG-CB 3.94Å; L79-I472 HydrophobicContact CD1-CD1 4.43Å; L79-I472 HydrophobicContact CD2-CB 3.8Å; L79-I472 HydrophobicContact CD2-CD1 3.85Å; L79-I472 HydrophobicContact CD2-CG1 4.43Å; L79-I472 HydrophobicContact CD2-CG2 3.62Å
80	S	98.3	Very high	98.5	Very high	8 Å²	8	12.7 Å²	12.7	6%	0.056	9%	0.085	C	C	.	.	H	α-helix	trans	-64.4	-36.8	176.4	-54.2	0	0	0	0	112.5	A76 F77 A82 G83 T212	A76-S80 PolarHBondContact O-N 2.91Å; A76-S80 VanDerWaalsContact O-N 3.12Å; A76-S80 PolarHBondContact O-OG 3.48Å; A76-S80 VanDerWaalsContact O-OG 3.1Å; F77-S80 PolarHBondContact O-N 2.87Å; S80-A82 VanDerWaalsContact C-N 3.29Å; S80-A82 PolarHBondContact O-N 2.65Å; S80-G83 PolarHBondContact O-N 3.28Å; S80-T212 WeakPolarHBondContact CB-OG1 3.42Å; S80-T212 PolarHBondContact OG-OG1 3.06Å
81	E	97.7	Very high	98.5	Very high	99 Å²	99	14.2 Å²	14.2	46%	0.463	9%	0.091	S	C	.	.	H	α-helix	trans	-61.9	-36.8	172.8	179.3	166.1	-115.8	0	0	112.2	F77 L79 G83 Y210	F77-E81 WeakPolarHBondContact O-CB 3.41Å; F77-E81 PolarHBondContact O-N 3.46Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 3.12Å; E81-G83 PolarHBondContact O-N 3.36Å; E81-Y210 HydrophobicContact CB-CD1 4.09Å; E81-Y210 HydrophobicContact CB-CE1 3.53Å; E81-Y210 HydrophobicContact CG-CE1 3.88Å; E81-Y210 PolarHBondContact OE1-OH 3.02Å
82	A	97.9	Very high	98.5	Very high	46 Å²	46	15.7 Å²	15.7	38%	0.38	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	1.7	173.1	0	0	0	0	0	113.9	G78 L79 S80 F84 A473	G78-A82 PolarHBondContact O-N 3.44Å; G78-A82 VanDerWaalsContact O-N 3.11Å; L79-A82 CarbonylContact O-C 3.58Å; L79-A82 PolarHBondContact O-N 3.14Å; S80-A82 VanDerWaalsContact C-N 3.29Å; S80-A82 PolarHBondContact O-N 2.65Å; A82-F84 HydrophobicContact CB-CD2 3.91Å; A82-F84 HydrophobicContact CB-CE2 4.08Å; A82-A473 HydrophobicContact CB-CB 3.98Å
83	G	97.8	Very high	98.5	Very high	48 Å²	48	19.3 Å²	19.3	50%	0.495	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	4.4	175.1	0	0	0	0	0	115.6	L79 S80 E81 P478	L79-G83 PolarHBondContact O-N 3.11Å; S80-G83 PolarHBondContact O-N 3.28Å; E81-G83 PolarHBondContact O-N 3.36Å; G83-P478 WeakPolarHBondContact O-CB 3.38Å
84	F	98.1	Very high	98.5	Very high	5 Å²	5	19.3 Å²	19.3	2%	0.022	12%	0.115	C	C	.	.			trans	-77.5	131.2	178.4	-69.2	-98.9	0	0	0	111.5	D62 L79 A82 T86 I472 A473 H476 P478	D62-F84 HydrophobicContact CB-CB 4.19Å; D62-F84 HydrophobicContact CB-CD1 3.75Å; D62-F84 HydrophobicContact CB-CG 4.47Å; L79-F84 HydrophobicContact CB-CB 4.29Å; L79-F84 HydrophobicContact CD2-CD2 4.4Å; L79-F84 HydrophobicContact CD2-CG 4.43Å; L79-F84 WeakPolarHBondContact O-CB 3.41Å; L79-F84 PolarHBondContact O-N 2.88Å; A82-F84 HydrophobicContact CB-CD2 3.91Å; A82-F84 HydrophobicContact CB-CE2 4.08Å; F84-T86 PolarHBondContact O-N 3.23Å; F84-T86 PolarHBondContact O-OG1 2.74Å; F84-I472 HydrophobicContact CD1-CG2 4.25Å; F84-I472 HydrophobicContact CE1-CG2 3.81Å; F84-I472 HydrophobicContact CE2-CG2 4.41Å; F84-I472 HydrophobicContact CZ-CG2 3.9Å; F84-A473 HydrophobicContact CE2-CB 3.92Å; F84-H476 HydrophobicContact CE1-CB 4.14Å; F84-H476 HydrophobicContact CZ-CB 4.38Å; F84-H476 WeakPolarHBondContact CZ-O 3.47Å; F84-P478 HydrophobicContact CD1-CG 4.16Å; F84-P478 HydrophobicContact CD2-CG 3.97Å; F84-P478 HydrophobicContact CE1-CG 4.22Å; F84-P478 HydrophobicContact CE2-CG 4.04Å; F84-P478 HydrophobicContact CG-CG 4.03Å; F84-P478 HydrophobicContact CZ-CG 4.16Å
85	N	98.1	Very high	98.5	Very high	35 Å²	35	19.5 Å²	19.5	19%	0.187	12%	0.116	C	C	.	.			trans	-67.3	103.9	169.2	-177.9	37	0	0	0	109.2	F61 D62 A63	F61-N85 WeakPolarHBondContact CD1-ND2 3.45Å; D62-N85 PolarHBondContact N-O 3.37Å; D62-N85 WeakPolarHBondContact OD2-CB 3.36Å; D62-N85 PolarHBondContact OD2-N 2.96Å; A63-N85 PolarHBondContact N-O 3.18Å
86	T	98.7	Very high	98.4	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.5	-166.5	-52.1	0	0	0	0	111.9	A63 V65 A76 L79 F84 S213	A63-T86 HydrophobicContact CB-CG2 4.38Å; A63-T86 WeakPolarHBondContact O-CA 3.3Å; V65-T86 HydrophobicContact CG2-CG2 4.09Å; A76-T86 HydrophobicContact CB-CG2 4.44Å; L79-T86 HydrophobicContact CB-CG2 4.09Å; L79-T86 VanDerWaalsContact CB-OG1 3.3Å; L79-T86 WeakPolarHBondContact CB-OG1 3.45Å; L79-T86 HydrophobicContact CD1-CG2 4Å; F84-T86 PolarHBondContact O-N 3.23Å; F84-T86 PolarHBondContact O-OG1 2.74Å; T86-S213 PolarHBondContact O-N 3.17Å
87	A	98.8	Very high	98.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	136.2	168	0	0	0	0	0	111	F61 A63 V64 V65 S213 F215 F246	F61-A87 HydrophobicContact CB-CB 4.45Å; F61-A87 HydrophobicContact CD1-CB 3.93Å; F61-A87 HydrophobicContact CD2-CB 3.66Å; F61-A87 HydrophobicContact CE1-CB 4.06Å; F61-A87 HydrophobicContact CE2-CB 3.76Å; F61-A87 HydrophobicContact CG-CB 3.75Å; F61-A87 HydrophobicContact CZ-CB 3.98Å; A63-A87 PolarHBondContact O-N 3.24Å; V64-A87 CarbonylContact C-O 3.58Å; V64-A87 WeakPolarHBondContact CA-O 3.44Å; V64-A87 HydrophobicContact CG2-CB 4.18Å; V65-A87 PolarHBondContact N-O 2.92Å; A87-S213 CarbonylContact C-O 3.22Å; A87-S213 VanDerWaalsContact CA-O 3.31Å; A87-S213 WeakPolarHBondContact CA-O 3.49Å; A87-F215 HydrophobicContact CB-CD2 4.12Å; A87-F215 HydrophobicContact CB-CE2 3.93Å; A87-F246 HydrophobicContact CB-CD1 4.31Å
88	C	98.8	Very high	98.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	106.1	170.4	-175.8	0	0	0	0	109.1	V65 A76 T212 S213 Y214 F215	V65-C88 CarbonylContact O-C 3.52Å; V65-C88 WeakPolarHBondContact O-CA 3.47Å; A76-C88 HydrophobicContact CB-CB 4.08Å; C88-T212 HydrophobicContact CB-CG2 4.08Å; C88-S213 PolarHBondContact N-O 3.42Å; C88-Y214 HydrophobicContact CB-CD1 3.8Å; C88-Y214 HydrophobicContact CB-CE1 3.77Å; C88-Y214 HydrophobicContact CB-CG 4.43Å; C88-F215 PolarHBondContact O-N 3.15Å
89	V	98.9	Very high	98.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.9	-178.7	-178.6	0	0	0	0	108.5	V64 V65 V66 G67 F215 A235 F246	V64-V89 HydrophobicContact CG2-CG2 3.84Å; V65-V89 PolarHBondContact O-N 3.5Å; V66-V89 CarbonylContact C-O 3.47Å; V66-V89 WeakPolarHBondContact CA-O 3.38Å; G67-V89 PolarHBondContact N-O 3.37Å; V89-F215 HydrophobicContact CG2-CB 4.3Å; V89-A235 HydrophobicContact CG1-CB 4.34Å; V89-F246 HydrophobicContact CG2-CD1 4.23Å; V89-F246 HydrophobicContact CG2-CD2 4.03Å; V89-F246 HydrophobicContact CG2-CE1 4.16Å; V89-F246 HydrophobicContact CG2-CE2 3.94Å; V89-F246 HydrophobicContact CG2-CG 4.17Å; V89-F246 HydrophobicContact CG2-CZ 4.01Å
90	T	98.9	Very high	98.4	Very high	8 Å²	8	33.5 Å²	33.5	5%	0.049	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	132.9	-177.5	174.2	0	0	0	0	111.4	A68 L92 P94 F215 V216 E217 Y218	A68-T90 HydrophobicContact CB-CG2 3.7Å; T90-L92 WeakPolarHBondContact CG2-O 3.24Å; T90-L92 PolarHBondContact O-N 3.48Å; T90-L92 PolarHBondContact OG1-N 2.9Å; T90-L92 PolarHBondContact OG1-O 3.29Å; T90-P94 HydrophobicContact CG2-CG 4.38Å; T90-F215 PolarHBondContact N-O 3.06Å; T90-V216 HydrophobicContact CG2-CG2 4.34Å; T90-V216 CarbonylContact O-C 3.55Å; T90-E217 WeakPolarHBondContact O-CA 3.39Å; T90-E217 PolarHBondContact O-N 3.07Å; T90-Y218 CarbonylContact C-O 3.42Å; T90-Y218 PolarHBondContact O-N 2.85Å
91	K	98.8	Very high	98.4	Very high	32 Å²	32	35.2 Å²	35.2	14%	0.139	19%	0.192	C	C	.	.	S	Bend	trans	-73	-10.9	177.5	75	179.4	-178.5	177.9	0	113.7	Y218 F219 T270 T272 D274 E568	K91-Y218 WeakPolarHBondContact CA-O 3.12Å; K91-Y218 PolarHBondContact N-O 3.38Å; K91-Y218 VanDerWaalsContact N-O 3.15Å; K91-F219 HydrophobicContact CB-CD2 4.07Å; K91-F219 HydrophobicContact CD-CD2 3.82Å; K91-F219 HydrophobicContact CD-CE2 3.91Å; K91-T270 WeakPolarHBondContact CE-O 3.47Å; K91-T270 PolarHBondContact NZ-O 2.78Å; K91-T272 PolarHBondContact NZ-OG1 3.3Å; K91-D274 WeakPolarHBondContact CE-OD2 3.41Å; K91-D274 IonicContact NZ-OD1 3.52Å; K91-D274 IonicContact NZ-OD2 3.52Å; K91-D274 PolarHBondContact NZ-OD2 3.02Å; K91-E568 IonicContact NZ-OE1 3.62Å; K91-E568 PolarHBondContact NZ-OE1 2.83Å
92	L	98.6	Very high	98.4	Very high	37 Å²	37	31.8 Å²	31.8	19%	0.194	18%	0.181	C	C	.	.	S	Bend	trans	-124.4	155.3	177.2	-56.7	177	0	0	0	110.4	T90 R96 T270	T90-L92 WeakPolarHBondContact CG2-O 3.24Å; T90-L92 PolarHBondContact O-N 3.48Å; T90-L92 PolarHBondContact OG1-N 2.9Å; T90-L92 PolarHBondContact OG1-O 3.29Å; L92-R96 HydrophobicContact CB-CB 4.24Å; L92-R96 HydrophobicContact CD1-CB 4.37Å; L92-T270 HydrophobicContact CD1-CG2 3.88Å; L92-T270 HydrophobicContact CD2-CG2 3.75Å; L92-T270 HydrophobicContact CG-CG2 4.31Å
93	F	98.6	Very high	98.4	Very high	76 Å²	76	31 Å²	31	33%	0.333	17%	0.169	S	C	.	.			trans	-53.2	130.3	157.8	-175.6	-106	0	0	0	110	T95 R96 Y204 V216	F93-T95 VanDerWaalsContact C-N 3.29Å; F93-T95 WeakPolarHBondContact CD1-OG1 3.33Å; F93-T95 HydrophobicContact CE1-CG2 4.15Å; F93-T95 WeakPolarHBondContact CE1-OG1 3.39Å; F93-T95 PolarHBondContact O-N 2.97Å; F93-R96 HydrophobicContact CB-CG 4.13Å; F93-R96 HydrophobicContact CD1-CG 4.47Å; F93-R96 WeakPolarHBondContact O-CB 3.29Å; F93-R96 PolarHBondContact O-N 3.48Å; F93-Y204 HydrophobicContact CE1-CE1 4.38Å; F93-Y204 AromaticContact CE2-CZ 3.95Å; F93-Y204 WeakPolarHBondContact CE2-OH 3.3Å; F93-Y204 AromaticContact CZ-CE1 3.75Å; F93-Y204 HydrophobicContact CZ-CE1 3.75Å; F93-Y204 HydrophobicContact CZ-CE2 4.31Å; F93-Y204 AromaticContact CZ-CZ 3.53Å; F93-Y204 VanDerWaalsContact CZ-OH 3.27Å; F93-Y204 WeakPolarHBondContact CZ-OH 3.29Å; F93-V216 HydrophobicContact CB-CG1 4.27Å; F93-V216 HydrophobicContact CD2-CG1 4.21Å
94	P	98.4	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-48.7	-42.8	-166.2	-34.6	37.2	0	0	0	115.7	A68 L73 T90 R96 S97 Y204 Y214	A68-P94 HydrophobicContact CB-CB 3.81Å; A68-P94 HydrophobicContact CB-CG 3.84Å; L73-P94 HydrophobicContact CD1-CB 4.41Å; L73-P94 HydrophobicContact CD2-CB 4.3Å; T90-P94 HydrophobicContact CG2-CG 4.38Å; P94-R96 PolarHBondContact O-N 2.9Å; P94-S97 VanDerWaalsContact O-CB 3.28Å; P94-S97 WeakPolarHBondContact O-CB 3.23Å; P94-S97 PolarHBondContact O-N 3.44Å; P94-S97 VanDerWaalsContact O-N 3.14Å; P94-S97 PolarHBondContact O-OG 3.42Å; P94-Y204 HydrophobicContact CB-CD2 3.7Å; P94-Y204 HydrophobicContact CB-CE2 4.03Å; P94-Y204 HydrophobicContact CG-CD2 3.99Å; P94-Y204 HydrophobicContact CG-CE2 3.83Å; P94-Y214 HydrophobicContact CG-CD1 4.36Å; P94-Y214 HydrophobicContact CG-CE1 4.38Å
95	T	98.3	Very high	98.3	Very high	8 Å²	8	29 Å²	29	5%	0.049	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-74.4	-1.9	-178	63.5	0	0	0	0	114.7	F93 V100 Y204	F93-T95 VanDerWaalsContact C-N 3.29Å; F93-T95 WeakPolarHBondContact CD1-OG1 3.33Å; F93-T95 HydrophobicContact CE1-CG2 4.15Å; F93-T95 WeakPolarHBondContact CE1-OG1 3.39Å; F93-T95 PolarHBondContact O-N 2.97Å; T95-V100 WeakPolarHBondContact O-CG2 3.39Å; T95-Y204 HydrophobicContact CG2-CD1 3.75Å; T95-Y204 HydrophobicContact CG2-CE1 4.47Å; T95-Y204 HydrophobicContact CG2-CG 3.84Å
96	R	98.3	Very high	98.3	Very high	180 Å²	180	27.4 Å²	27.4	68%	0.679	14%	0.142	S	C	*	.	G	3₁₀ helix	trans	-92.6	-6.5	171.7	-53.5	-56.9	-175.7	-175.3	0.8	113	L92 F93 P94	L92-R96 HydrophobicContact CB-CB 4.24Å; L92-R96 HydrophobicContact CD1-CB 4.37Å; F93-R96 HydrophobicContact CB-CG 4.13Å; F93-R96 HydrophobicContact CD1-CG 4.47Å; F93-R96 WeakPolarHBondContact O-CB 3.29Å; F93-R96 PolarHBondContact O-N 3.48Å; P94-R96 PolarHBondContact O-N 2.9Å
97	S	98.5	Very high	98.3	Very high	12 Å²	12	27.3 Å²	27.3	8%	0.084	14%	0.142	C	C	.	.	S	Bend	trans	-57.6	147.9	174.5	-56.8	0	0	0	0	111.6	A68 G69 P94 T99 V100	A68-S97 PolarHBondContact O-OG 3.26Å; G69-S97 PolarHBondContact N-OG 3.27Å; P94-S97 VanDerWaalsContact O-CB 3.28Å; P94-S97 WeakPolarHBondContact O-CB 3.23Å; P94-S97 PolarHBondContact O-N 3.44Å; P94-S97 VanDerWaalsContact O-N 3.14Å; P94-S97 PolarHBondContact O-OG 3.42Å; S97-T99 PolarHBondContact O-N 3.4Å; S97-V100 WeakPolarHBondContact O-CB 3.13Å; S97-V100 VanDerWaalsContact O-CG1 3.24Å; S97-V100 WeakPolarHBondContact O-CG1 3.36Å; S97-V100 PolarHBondContact O-N 2.9Å
98	H	98.7	Very high	98.3	Very high	46 Å²	46	27.3 Å²	27.3	21%	0.213	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-59.1	-22.1	-173.5	-167.8	55.6	0	0	0	114.4	V100 A101 T266 A268	H98-V100 PolarHBondContact O-N 2.63Å; H98-A101 WeakPolarHBondContact O-CB 3.29Å; H98-A101 PolarHBondContact O-N 3.2Å; H98-T266 PolarHBondContact CE1-O 3.26Å; H98-A268 HydrophobicContact CB-CB 4.28Å; H98-A268 PolarHBondContact CE1-N 2.98Å; H98-A268 PolarHBondContact ND1-N 3.47Å
99	T	98.6	Very high	98.3	Very high	21 Å²	21	28 Å²	28	13%	0.129	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-48	-33.6	169.3	-54.3	0	0	0	0	112.6	G70 S97 A101 A102 G196 L199 L200 L458 L461	G70-T99 PolarHBondContact N-OG1 3.31Å; G70-T99 VanDerWaalsContact N-OG1 3.14Å; S97-T99 PolarHBondContact O-N 3.4Å; T99-A101 PolarHBondContact O-N 3.31Å; T99-A101 VanDerWaalsContact O-N 3.16Å; T99-A102 PolarHBondContact O-N 3.15Å; T99-A102 VanDerWaalsContact O-N 3.12Å; T99-G196 CarbonylContact O-C 3.6Å; T99-G196 WeakPolarHBondContact O-CA 3.23Å; T99-L199 HydrophobicContact CG2-CD2 3.9Å; T99-L200 HydrophobicContact CG2-CB 4.24Å; T99-L200 HydrophobicContact CG2-CD1 4.27Å; T99-L458 HydrophobicContact CG2-CD2 3.96Å; T99-L461 HydrophobicContact CG2-CD1 3.84Å
100	V	98.1	Very high	98.3	Very high	41 Å²	41	29.8 Å²	29.8	25%	0.248	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-59	-28.2	179.3	78.5	0	0	0	0	112.9	T95 S97 H98 H197 L200	T95-V100 WeakPolarHBondContact O-CG2 3.39Å; S97-V100 WeakPolarHBondContact O-CB 3.13Å; S97-V100 VanDerWaalsContact O-CG1 3.24Å; S97-V100 WeakPolarHBondContact O-CG1 3.36Å; S97-V100 PolarHBondContact O-N 2.9Å; H98-V100 PolarHBondContact O-N 2.63Å; V100-H197 HydrophobicContact CG2-CB 4.2Å; V100-H197 WeakPolarHBondContact O-CA 3.5Å; V100-H197 PolarHBondContact O-N 2.99Å; V100-H197 VanDerWaalsContact O-N 3.11Å; V100-L200 HydrophobicContact CB-CD2 3.67Å; V100-L200 HydrophobicContact CG2-CD2 4.29Å
101	A	98.1	Very high	98.3	Very high	44 Å²	44	30.8 Å²	30.8	36%	0.364	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-89.1	-3.1	-176.6	0	0	0	0	0	113.2	H98 T99 Q103	H98-A101 WeakPolarHBondContact O-CB 3.29Å; H98-A101 PolarHBondContact O-N 3.2Å; T99-A101 PolarHBondContact O-N 3.31Å; T99-A101 VanDerWaalsContact O-N 3.16Å; A101-Q103 PolarHBondContact O-N 3.17Å
102	A	97.6	Very high	98.3	Very high	28 Å²	28	31 Å²	31	23%	0.231	17%	0.171	C	C	.	.			trans	-68.4	135.3	175.9	0	0	0	0	0	110.6	T99 G196 L458	T99-A102 PolarHBondContact O-N 3.15Å; T99-A102 VanDerWaalsContact O-N 3.12Å; A102-G196 VanDerWaalsContact O-CA 3.22Å; A102-G196 WeakPolarHBondContact O-CA 3.4Å; A102-G196 PolarHBondContact O-N 2.73Å; A102-L458 HydrophobicContact CB-CD1 4.02Å; A102-L458 HydrophobicContact CB-CD2 3.91Å; A102-L458 HydrophobicContact CB-CG 4.2Å
103	Q	97.8	Very high	98.2	Very high	29 Å²	29	32.8 Å²	32.8	14%	0.136	18%	0.179	C	C	.	.			trans	-109.6	-66	-169.9	-66.2	171.3	2.9	0	0	112	A101 G105 D193 T195 L305 T307	A101-Q103 PolarHBondContact O-N 3.17Å; Q103-G105 PolarHBondContact O-N 3.3Å; Q103-D193 WeakPolarHBondContact CA-O 3.21Å; Q103-D193 WeakPolarHBondContact CB-O 3.35Å; Q103-D193 WeakPolarHBondContact CG-O 3.37Å; Q103-D193 CarbonylContact O-C 3.58Å; Q103-T195 WeakPolarHBondContact O-CB 3.41Å; Q103-T195 PolarHBondContact O-N 3.36Å; Q103-T195 PolarHBondContact O-OG1 3.35Å; Q103-L305 HydrophobicContact CG-CD2 4.3Å; Q103-L305 PolarHBondContact NE2-O 3.11Å; Q103-L305 PolarHBondContact OE1-O 2.95Å; Q103-T307 VanDerWaalsContact OE1-CB 3.24Å
104	G	95	Very high	98.2	Very high	7 Å²	7	31.8 Å²	31.8	7%	0.072	18%	0.176	C	C	.	.	S	Bend	trans	-59.3	-41.8	-159.4	0	0	0	0	0	117.4	C190 T307	G104-C190 WeakPolarHBondContact O-CB 3.33Å; G104-T307 WeakPolarHBondContact CA-OG1 3.28Å; G104-T307 PolarHBondContact N-OG1 2.76Å
105	G	98.3	Very high	98.2	Very high	5 Å²	5	39.5 Å²	39.5	5%	0.052	21%	0.212	C	C	.	.			trans	154.3	-170.1	178.6	0	0	0	0	0	115.1	Q103 C188 C189 A455	Q103-G105 PolarHBondContact O-N 3.3Å; G105-C188 VanDerWaalsContact CA-SG 3.52Å; G105-C189 CarbonylContact C-O 3.49Å; G105-C189 WeakPolarHBondContact CA-O 3.42Å; G105-A455 VanDerWaalsContact C-CB 3.47Å; G105-A455 WeakPolarHBondContact O-CA 3.26Å; G105-A455 WeakPolarHBondContact O-CB 3.28Å
106	I	98.9	Very high	98.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.2	176	-179.8	169.3	0	0	0	108.9	V149 L152 F159 C189 T195 L199 L458 L459 V462	I106-V149 HydrophobicContact CD1-CG2 3.9Å; I106-V149 HydrophobicContact CG1-CG2 3.97Å; I106-V149 HydrophobicContact CG2-CG2 4.1Å; I106-L152 HydrophobicContact CD1-CD1 4Å; I106-F159 HydrophobicContact CG2-CE1 4Å; I106-F159 HydrophobicContact CG2-CZ 4.15Å; I106-C189 HydrophobicContact CG2-CB 3.99Å; I106-C189 PolarHBondContact N-O 3.18Å; I106-C189 WeakPolarHBondContact O-CA 3.34Å; I106-C189 VanDerWaalsContact O-CB 3.27Å; I106-C189 WeakPolarHBondContact O-CB 3.16Å; I106-C189 PolarHBondContact O-N 3.4Å; I106-T195 HydrophobicContact CG2-CG2 4.42Å; I106-L199 HydrophobicContact CD1-CD1 4.41Å; I106-L458 HydrophobicContact CB-CB 4Å; I106-L458 HydrophobicContact CD1-CB 4.21Å; I106-L458 HydrophobicContact CG1-CB 4.14Å; I106-L459 HydrophobicContact CD1-CB 4.3Å; I106-L459 HydrophobicContact CG1-CB 3.91Å; I106-V462 HydrophobicContact CD1-CG2 3.98Å
107	N	98.9	Very high	98.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.1	-177.7	-65.6	-36.1	0	0	0	111.9	Q175 R187 C188 G454 A455 N456	N107-Q175 PolarHBondContact ND2-NE2 3.29Å; N107-Q175 PolarHBondContact OD1-NE2 3.36Å; N107-R187 WeakPolarHBondContact CA-O 3.07Å; N107-C188 WeakPolarHBondContact OD1-CA 3.48Å; N107-C188 WeakPolarHBondContact OD1-CB 3.45Å; N107-G454 PolarHBondContact ND2-O 3.4Å; N107-A455 PolarHBondContact N-O 2.9Å; N107-A455 VanDerWaalsContact OD1-CB 3.3Å; N107-A455 WeakPolarHBondContact OD1-CB 3.42Å; N107-N456 PolarHBondContact ND2-N 3.45Å; N107-N456 PolarHBondContact ND2-OD1 2.99Å
108	A	98.8	Very high	98.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.195	C	C	.	.			trans	-159.3	135.7	164	0	0	0	0	0	109.5	L110 A145 V149 Q169 R187	A108-L110 HydrophobicContact CB-CD2 4.1Å; A108-L110 HydrophobicContact CB-CG 3.99Å; A108-L110 PolarHBondContact O-N 3.45Å; A108-A145 HydrophobicContact CB-CB 3.96Å; A108-V149 HydrophobicContact CB-CB 4.01Å; A108-V149 HydrophobicContact CB-CG2 3.57Å; A108-Q169 PolarHBondContact O-NE2 3.33Å; A108-R187 PolarHBondContact N-O 3.48Å; A108-R187 VanDerWaalsContact N-O 3.09Å
109	A	98.6	Very high	98.2	Very high	14 Å²	14	35.2 Å²	35.2	12%	0.116	20%	0.196	C	C	.	.			trans	-74.2	68.6	174.9	0	0	0	0	0	111	D116 W118	A109-D116 WeakPolarHBondContact CA-OD2 3.48Å; A109-D116 HydrophobicContact CB-CB 4.19Å; A109-D116 WeakPolarHBondContact CB-OD2 3.39Å; A109-W118 HydrophobicContact CB-CB 4.27Å
110	L	98.6	Very high	98.2	Very high	38 Å²	38	35.4 Å²	35.4	20%	0.199	19%	0.194	C	C	.	.			trans	-78.6	-23.3	177.2	-59.5	-177.6	0	0	0	112.7	A108 P146 V149 V150 I167 C189	A108-L110 HydrophobicContact CB-CD2 4.1Å; A108-L110 HydrophobicContact CB-CG 3.99Å; A108-L110 PolarHBondContact O-N 3.45Å; L110-P146 HydrophobicContact CD2-CB 3.89Å; L110-V149 HydrophobicContact CD1-CG1 4.06Å; L110-V150 HydrophobicContact CD2-CG2 4.25Å; L110-I167 HydrophobicContact CD1-CB 4.21Å; L110-I167 HydrophobicContact CD1-CD1 3.92Å; L110-I167 HydrophobicContact CD1-CG2 4.38Å; L110-C189 VanDerWaalsContact CD1-SG 3.59Å
111	G	98.3	Very high	98.3	Very high	29 Å²	29	33.4 Å²	33.4	30%	0.299	18%	0.182	S	C	.	.			trans	66.5	32.9	-178	0	0	0	0	0	114.2	E114	G111-E114 CarbonylContact C-O 3.38Å; G111-E114 VanDerWaalsContact C-O 3.22Å; G111-E114 WeakPolarHBondContact CA-O 3.36Å
112	N	98.4	Very high	98.3	Very high	35 Å²	35	31.4 Å²	31.4	19%	0.187	17%	0.165	C	C	.	.	S	Bend	trans	-83.2	-18.5	-176.6	-64.2	-27.7	0	0	0	113.7	K166 I167 Q169	N112-K166 HydrophobicContact CB-CB 4.25Å; N112-K166 HydrophobicContact CB-CD 4.43Å; N112-I167 WeakPolarHBondContact CB-O 3.34Å; N112-I167 PolarHBondContact ND2-O 2.7Å; N112-Q169 HydrophobicContact CB-CG 4.48Å; N112-Q169 VanDerWaalsContact CB-OE1 3.31Å
113	M	98.3	Very high	98.4	Very high	76 Å²	76	32.5 Å²	32.5	37%	0.374	16%	0.164	S	C	.	.	S	Bend	trans	-105	-40.2	-179	-51.4	-55.9	-62.3	0	0	111.3	T162 Y168 Q169 H186	M113-T162 HydrophobicContact SD-CG2 3.63Å; M113-Y168 HydrophobicContact CE-CD2 3.83Å; M113-Y168 HydrophobicContact CE-CE2 3.77Å; M113-Y168 HydrophobicContact SD-CD2 4Å; M113-Y168 HydrophobicContact SD-CE2 4.43Å; M113-Q169 HydrophobicContact CG-CB 3.67Å; M113-Q169 HydrophobicContact CG-CG 4.3Å; M113-Q169 WeakPolarHBondContact CG-O 3.32Å; M113-Q169 HydrophobicContact SD-CB 4.39Å; M113-H186 HydrophobicContact CB-CB 3.95Å; M113-H186 HydrophobicContact CG-CB 3.96Å
114	E	98.3	Very high	98.4	Very high	55 Å²	55	31.3 Å²	31.3	26%	0.257	16%	0.158	S	C	.	.	S	Bend	trans	-150.7	171.1	172.7	60	-90	172.1	0	0	109.1	G111 D116 L177 H186	G111-E114 CarbonylContact C-O 3.38Å; G111-E114 VanDerWaalsContact C-O 3.22Å; G111-E114 WeakPolarHBondContact CA-O 3.36Å; E114-D116 PolarHBondContact O-N 3.02Å; E114-L177 HydrophobicContact CG-CD1 4.1Å; E114-L177 HydrophobicContact CG-CD2 4.3Å; E114-H186 VanDerWaalsContact CD-ND1 3.32Å; E114-H186 WeakPolarHBondContact OE1-CA 3.3Å; E114-H186 WeakPolarHBondContact OE1-CB 3.19Å; E114-H186 IonicContact OE1-CG 3.53Å; E114-H186 PolarHBondContact OE1-N 2.99Å; E114-H186 IonicContact OE1-ND1 2.94Å; E114-H186 PolarHBondContact OE1-ND1 3.5Å; E114-H186 IonicContact OE2-CE1 2.73Å; E114-H186 IonicContact OE2-CG 2.92Å; E114-H186 IonicContact OE2-ND1 3.04Å; E114-H186 PolarHBondContact OE2-ND1 2.88Å
115	E	98.1	Very high	98.6	Very high	162 Å²	162	31.1 Å²	31.1	76%	0.757	16%	0.156	S	C	*	.			trans	-57.5	132	170.4	-174.6	-175.5	175.1	0	0	110.4	W120	E115-W120 WeakPolarHBondContact O-CZ3 3.26Å
116	D	98.5	Very high	98.6	Very high	25 Å²	25	30.9 Å²	30.9	13%	0.134	15%	0.153	C	C	.	.			trans	-139.5	159.7	179.5	-159.1	9.3	0	0	0	110.5	A109 E114 R187	A109-D116 WeakPolarHBondContact CA-OD2 3.48Å; A109-D116 HydrophobicContact CB-CB 4.19Å; A109-D116 WeakPolarHBondContact CB-OD2 3.39Å; E114-D116 PolarHBondContact O-N 3.02Å; D116-R187 IonicContact OD1-CZ 3.5Å; D116-R187 IonicContact OD1-NE 3.93Å; D116-R187 PolarHBondContact OD1-NE 3.3Å; D116-R187 IonicContact OD1-NH2 3.33Å; D116-R187 PolarHBondContact OD1-NH2 3.4Å; D116-R187 VanDerWaalsContact OD2-CB 3.31Å; D116-R187 WeakPolarHBondContact OD2-CB 3.5Å; D116-R187 IonicContact OD2-CZ 3.58Å; D116-R187 IonicContact OD2-NE 3.03Å; D116-R187 PolarHBondContact OD2-NE 3.28Å; D116-R187 IonicContact OD2-NH2 2.81Å
117	D	98.6	Very high	98.6	Very high	39 Å²	39	32.4 Å²	32.4	21%	0.209	16%	0.16	C	C	.	.			trans	-135.3	134	178.1	-169.1	-32.1	0	0	0	108.9	R119 W120 H121	D117-R119 PolarHBondContact O-N 3.27Å; D117-R119 VanDerWaalsContact O-N 3.16Å; D117-R119 WeakPolarHBondContact OD1-CB 3.46Å; D117-R119 WeakPolarHBondContact OD1-CG 3.42Å; D117-R119 PolarHBondContact OD1-N 3.34Å; D117-R119 IonicContact OD1-NH1 3.56Å; D117-R119 PolarHBondContact OD1-NH1 3.1Å; D117-R119 IonicContact OD2-NH1 3.06Å; D117-R119 PolarHBondContact OD2-NH1 3.42Å; D117-W120 HydrophobicContact CB-CD2 3.72Å; D117-W120 HydrophobicContact CB-CE3 4.24Å; D117-W120 HydrophobicContact CB-CG 3.93Å; D117-W120 HydrophobicContact CB-CZ2 4.16Å; D117-W120 WeakPolarHBondContact O-CB 3.5Å; D117-W120 PolarHBondContact O-N 2.62Å; D117-H121 PolarHBondContact O-N 3.47Å
118	W	98.6	Very high	98.5	Very high	33 Å²	33	32.4 Å²	32.4	13%	0.125	16%	0.16	C	C	.	.	H	α-helix	trans	-60	-26.3	177.1	70.7	-98.3	0	0	0	111.8	A109 W120 H121 F122 H139 E143 C655	A109-W118 HydrophobicContact CB-CB 4.27Å; W118-W120 VanDerWaalsContact C-N 3.28Å; W118-W120 PolarHBondContact O-N 2.91Å; W118-H121 CarbonylContact O-C 3.57Å; W118-H121 WeakPolarHBondContact O-CB 3.17Å; W118-H121 PolarHBondContact O-N 2.89Å; W118-F122 HydrophobicContact CE3-CB 4.43Å; W118-F122 HydrophobicContact CZ3-CB 4.43Å; W118-F122 PolarHBondContact O-N 2.77Å; W118-H139 AromaticContact CH2-CD2 3.62Å; W118-H139 AromaticContact CH2-CE1 3.92Å; W118-H139 AromaticContact CH2-NE2 3.39Å; W118-H139 WeakPolarHBondContact CH2-NE2 3.43Å; W118-H139 AromaticContact CZ3-CD2 3.75Å; W118-E143 HydrophobicContact CD2-CB 4.05Å; W118-E143 HydrophobicContact CD2-CG 4.28Å; W118-E143 HydrophobicContact CE3-CB 3.94Å; W118-E143 HydrophobicContact CH2-CB 4.29Å; W118-E143 HydrophobicContact CH2-CG 4.47Å; W118-E143 HydrophobicContact CZ2-CB 4.4Å; W118-E143 HydrophobicContact CZ2-CG 4.17Å; W118-E143 HydrophobicContact CZ3-CB 4.08Å; W118-C655 HydrophobicContact CH2-CB 3.59Å; W118-C655 HydrophobicContact CZ2-CB 4.49Å; W118-C655 HydrophobicContact CZ3-CB 4.14Å
119	R	98.6	Very high	98.5	Very high	59 Å²	59	32.4 Å²	32.4	22%	0.223	16%	0.16	C	C	.	.	H	α-helix	trans	-68.4	-26.4	174.6	-59.3	174.1	-168.5	84.4	0.9	112.5	D117 F122 Y123 Y179 D654	D117-R119 PolarHBondContact O-N 3.27Å; D117-R119 VanDerWaalsContact O-N 3.16Å; D117-R119 WeakPolarHBondContact OD1-CB 3.46Å; D117-R119 WeakPolarHBondContact OD1-CG 3.42Å; D117-R119 PolarHBondContact OD1-N 3.34Å; D117-R119 IonicContact OD1-NH1 3.56Å; D117-R119 PolarHBondContact OD1-NH1 3.1Å; D117-R119 IonicContact OD2-NH1 3.06Å; D117-R119 PolarHBondContact OD2-NH1 3.42Å; R119-F122 WeakPolarHBondContact O-CB 3.41Å; R119-Y123 PolarHBondContact O-N 3.38Å; R119-Y179 HydrophobicContact CB-CE1 4.24Å; R119-Y179 WeakPolarHBondContact CB-OH 3.3Å; R119-D654 IonicContact CZ-OD1 3.56Å; R119-D654 PolarHBondContact NE-O 2.84Å; R119-D654 IonicContact NE-OD1 2.71Å; R119-D654 IonicContact NH2-OD1 3.98Å; R119-D654 PolarHBondContact NH2-OD1 3.03Å; R119-D654 IonicContact NH2-OD2 3.83Å
120	W	98.7	Very high	98.5	Very high	24 Å²	24	32.3 Å²	32.3	9%	0.091	16%	0.157	C	C	.	.	H	α-helix	trans	-73	-39.3	171.8	-56	-12.7	0	0	0	110.4	E115 D117 W118 Y123 D124 L177 K178 Y179	E115-W120 WeakPolarHBondContact O-CZ3 3.26Å; D117-W120 HydrophobicContact CB-CD2 3.72Å; D117-W120 HydrophobicContact CB-CE3 4.24Å; D117-W120 HydrophobicContact CB-CG 3.93Å; D117-W120 HydrophobicContact CB-CZ2 4.16Å; D117-W120 WeakPolarHBondContact O-CB 3.5Å; D117-W120 PolarHBondContact O-N 2.62Å; W118-W120 VanDerWaalsContact C-N 3.28Å; W118-W120 PolarHBondContact O-N 2.91Å; W120-Y123 PolarHBondContact O-N 2.87Å; W120-D124 VanDerWaalsContact O-CG 3.31Å; W120-D124 PolarHBondContact O-N 2.79Å; W120-L177 HydrophobicContact CE3-CB 3.97Å; W120-L177 HydrophobicContact CE3-CD2 3.77Å; W120-L177 HydrophobicContact CE3-CG 4.49Å; W120-L177 HydrophobicContact CZ3-CB 3.97Å; W120-L177 HydrophobicContact CZ3-CD2 3.77Å; W120-L177 HydrophobicContact CZ3-CG 4.41Å; W120-K178 HydrophobicContact CH2-CG 3.92Å; W120-K178 HydrophobicContact CZ2-CG 3.77Å; W120-K178 HydrophobicContact CZ3-CG 4.47Å; W120-Y179 AromaticContact CD1-CD2 3.84Å; W120-Y179 AromaticContact CD1-CE2 3.68Å; W120-Y179 AromaticContact CD1-CZ 3.87Å; W120-Y179 AromaticContact NE1-CD2 3.94Å; W120-Y179 AromaticContact NE1-CE2 3.64Å
121	H	98.8	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.3	-38.3	171.6	-176.2	-165.2	0	0	0	112.2	D117 W118 D124 T125 T142 N456	D117-H121 PolarHBondContact O-N 3.47Å; W118-H121 CarbonylContact O-C 3.57Å; W118-H121 WeakPolarHBondContact O-CB 3.17Å; W118-H121 PolarHBondContact O-N 2.89Å; H121-D124 PolarHBondContact O-N 3.38Å; H121-T125 PolarHBondContact CD2-OG1 3.16Å; H121-T125 WeakPolarHBondContact O-CB 3.43Å; H121-T125 PolarHBondContact O-N 3.1Å; H121-T125 PolarHBondContact O-OG1 3.48Å; H121-T142 HydrophobicContact CB-CG2 4.26Å; H121-N456 PolarHBondContact NE2-OD1 2.79Å
122	F	98.8	Very high	98.6	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.009	13%	0.134	C	C	.	.	H	α-helix	trans	-55.8	-55	170.6	171.7	-101.6	0	0	0	111	W118 R119 D124 T125 V126 Q135 I138 H139 T142 C655 V658	W118-F122 HydrophobicContact CE3-CB 4.43Å; W118-F122 HydrophobicContact CZ3-CB 4.43Å; W118-F122 PolarHBondContact O-N 2.77Å; R119-F122 WeakPolarHBondContact O-CB 3.41Å; F122-D124 PolarHBondContact O-N 2.9Å; F122-T125 PolarHBondContact O-N 3.02Å; F122-T125 VanDerWaalsContact O-N 3.09Å; F122-V126 HydrophobicContact CD1-CG2 4.43Å; F122-V126 HydrophobicContact CD2-CG2 4.26Å; F122-V126 HydrophobicContact CE1-CG2 4.1Å; F122-V126 HydrophobicContact CE2-CG2 3.84Å; F122-V126 HydrophobicContact CZ-CG2 3.77Å; F122-V126 WeakPolarHBondContact O-CG2 3.27Å; F122-V126 PolarHBondContact O-N 3.29Å; F122-Q135 HydrophobicContact CE2-CB 4.23Å; F122-Q135 WeakPolarHBondContact CE2-O 3.31Å; F122-Q135 HydrophobicContact CZ-CB 4.07Å; F122-Q135 HydrophobicContact CZ-CG 4.45Å; F122-I138 HydrophobicContact CD2-CB 4.12Å; F122-I138 HydrophobicContact CD2-CG2 3.57Å; F122-I138 HydrophobicContact CE2-CB 4.07Å; F122-I138 HydrophobicContact CE2-CG2 3.97Å; F122-I138 HydrophobicContact CG-CG2 4.45Å; F122-H139 HydrophobicContact CD2-CB 4.18Å; F122-H139 HydrophobicContact CE2-CB 3.98Å; F122-T142 HydrophobicContact CB-CG2 4.49Å; F122-C655 WeakPolarHBondContact CD1-SG 3.44Å; F122-C655 WeakPolarHBondContact CE1-SG 3.29Å; F122-V658 HydrophobicContact CD1-CG2 4.28Å; F122-V658 HydrophobicContact CE1-CG2 3.78Å
123	Y	98.7	Very high	98.6	Very high	50 Å²	50	27.7 Å²	27.7	20%	0.196	13%	0.126	C	C	.	.	H	α-helix	trans	-56.3	-47.9	178.3	171.6	-90.8	0	0	0	112.8	R119 W120 T125 V126 K127 Y179 V658	R119-Y123 PolarHBondContact O-N 3.38Å; W120-Y123 PolarHBondContact O-N 2.87Å; Y123-T125 PolarHBondContact O-N 3.42Å; Y123-V126 PolarHBondContact O-N 2.86Å; Y123-K127 HydrophobicContact CE1-CD 4.18Å; Y123-K127 WeakPolarHBondContact O-CB 3.33Å; Y123-K127 PolarHBondContact O-N 2.81Å; Y123-Y179 HydrophobicContact CD2-CD1 4.1Å; Y123-Y179 WeakPolarHBondContact CE1-O 3.38Å; Y123-Y179 AromaticContact CG-CD1 3.96Å; Y123-Y179 HydrophobicContact CG-CD1 3.96Å; Y123-V658 HydrophobicContact CD2-CG1 3.94Å; Y123-V658 HydrophobicContact CD2-CG2 4.05Å; Y123-V658 HydrophobicContact CE2-CG1 4.03Å
124	D	98.7	Very high	98.6	Very high	4 Å²	4	24 Å²	24	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-59.4	-40	178.2	-73.5	-28.7	0	0	0	111	W120 H121 F122 G128 Q175 S176 R187 L453	W120-D124 VanDerWaalsContact O-CG 3.31Å; W120-D124 PolarHBondContact O-N 2.79Å; H121-D124 PolarHBondContact O-N 3.38Å; F122-D124 PolarHBondContact O-N 2.9Å; D124-G128 VanDerWaalsContact O-CA 3.32Å; D124-G128 WeakPolarHBondContact O-CA 3.41Å; D124-G128 PolarHBondContact O-N 2.82Å; D124-Q175 WeakPolarHBondContact OD2-CA 3.48Å; D124-S176 PolarHBondContact OD1-N 2.78Å; D124-S176 PolarHBondContact OD1-OG 3.32Å; D124-S176 PolarHBondContact OD2-N 3.21Å; D124-R187 IonicContact OD2-CZ 2.91Å; D124-R187 IonicContact OD2-NH1 3Å; D124-R187 PolarHBondContact OD2-NH1 3.03Å; D124-R187 IonicContact OD2-NH2 2.82Å; D124-L453 HydrophobicContact CB-CD1 3.93Å; D124-L453 WeakPolarHBondContact O-CD1 3.44Å
125	T	98.8	Very high	98.6	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.018	10%	0.096	C	C	.	.	H	α-helix	trans	-70.6	-43.3	180	-56.2	0	0	0	0	111.5	H121 F122 Y123 G128 S129 I138 M141 V447 N456	H121-T125 PolarHBondContact CD2-OG1 3.16Å; H121-T125 WeakPolarHBondContact O-CB 3.43Å; H121-T125 PolarHBondContact O-N 3.1Å; H121-T125 PolarHBondContact O-OG1 3.48Å; F122-T125 PolarHBondContact O-N 3.02Å; F122-T125 VanDerWaalsContact O-N 3.09Å; Y123-T125 PolarHBondContact O-N 3.42Å; T125-G128 PolarHBondContact O-N 3.28Å; T125-S129 WeakPolarHBondContact O-CB 3.23Å; T125-S129 PolarHBondContact O-N 2.97Å; T125-I138 HydrophobicContact CG2-CB 4.49Å; T125-I138 HydrophobicContact CG2-CD1 4.14Å; T125-I138 HydrophobicContact CG2-CG1 4.07Å; T125-I138 HydrophobicContact CG2-CG2 3.58Å; T125-M141 HydrophobicContact CG2-CE 3.91Å; T125-V447 WeakPolarHBondContact CG2-O 3.43Å; T125-N456 WeakPolarHBondContact CG2-ND2 3.36Å; T125-N456 PolarHBondContact OG1-ND2 2.95Å
126	V	98.8	Very high	98.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.5	-51.2	175	177.4	0	0	0	0	110.7	F122 Y123 G128 S129 D130 W131 Q135 I138 V658	F122-V126 HydrophobicContact CD1-CG2 4.43Å; F122-V126 HydrophobicContact CD2-CG2 4.26Å; F122-V126 HydrophobicContact CE1-CG2 4.1Å; F122-V126 HydrophobicContact CE2-CG2 3.84Å; F122-V126 HydrophobicContact CZ-CG2 3.77Å; F122-V126 WeakPolarHBondContact O-CG2 3.27Å; F122-V126 PolarHBondContact O-N 3.29Å; Y123-V126 PolarHBondContact O-N 2.86Å; V126-G128 VanDerWaalsContact C-N 3.3Å; V126-G128 PolarHBondContact O-N 3.38Å; V126-S129 PolarHBondContact O-N 3.4Å; V126-S129 PolarHBondContact O-OG 2.95Å; V126-D130 PolarHBondContact O-N 3.09Å; V126-W131 HydrophobicContact CG1-CG 4.45Å; V126-W131 PolarHBondContact O-N 3.48Å; V126-Q135 HydrophobicContact CG1-CG 4.38Å; V126-Q135 HydrophobicContact CG2-CG 4.05Å; V126-I138 HydrophobicContact CG2-CD1 3.84Å; V126-I138 HydrophobicContact CG2-CG2 4.16Å; V126-V658 HydrophobicContact CB-CB 4.46Å; V126-V658 HydrophobicContact CG1-CB 4.01Å; V126-V658 HydrophobicContact CG1-CG1 4.41Å
127	K	98.5	Very high	98.6	Very high	32 Å²	32	13.4 Å²	13.4	14%	0.139	6%	0.058	C	C	.	.	H	α-helix	trans	-58.9	-43	174.6	-178.6	-173.6	174.5	-174.3	0	111.2	Y123 S129 D130 W131 R663 S664	Y123-K127 HydrophobicContact CE1-CD 4.18Å; Y123-K127 WeakPolarHBondContact O-CB 3.33Å; Y123-K127 PolarHBondContact O-N 2.81Å; K127-S129 VanDerWaalsContact C-N 3.31Å; K127-S129 PolarHBondContact O-N 2.91Å; K127-D130 PolarHBondContact O-N 2.68Å; K127-D130 VanDerWaalsContact O-N 3.1Å; K127-W131 HydrophobicContact CG-CH2 4.37Å; K127-R663 HydrophobicContact CG-CG 4.38Å; K127-R663 VanDerWaalsContact O-CD 3.23Å; K127-R663 WeakPolarHBondContact O-CD 3.44Å; K127-R663 PolarHBondContact O-NE 3.15Å; K127-S664 WeakPolarHBondContact CE-O 3.43Å; K127-S664 PolarHBondContact NZ-O 3.06Å
128	G	98.1	Very high	98.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-59.4	-41.1	180	0	0	0	0	0	112.6	D124 T125 V126 D130 N451 R663	D124-G128 VanDerWaalsContact O-CA 3.32Å; D124-G128 WeakPolarHBondContact O-CA 3.41Å; D124-G128 PolarHBondContact O-N 2.82Å; T125-G128 PolarHBondContact O-N 3.28Å; V126-G128 VanDerWaalsContact C-N 3.3Å; V126-G128 PolarHBondContact O-N 3.38Å; G128-D130 PolarHBondContact O-N 2.77Å; G128-N451 CarbonylContact C-O 3.6Å; G128-N451 VanDerWaalsContact C-O 3.29Å; G128-N451 WeakPolarHBondContact O-CB 3.39Å; G128-N451 PolarHBondContact O-ND2 2.98Å; G128-R663 PolarHBondContact O-NH2 3.04Å
129	S	98.6	Very high	98.6	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.007	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-7.3	177.4	81.6	0	0	0	0	114.4	T125 V126 K127 W131 L132 G133 H448 A450	T125-S129 WeakPolarHBondContact O-CB 3.23Å; T125-S129 PolarHBondContact O-N 2.97Å; V126-S129 PolarHBondContact O-N 3.4Å; V126-S129 PolarHBondContact O-OG 2.95Å; K127-S129 VanDerWaalsContact C-N 3.31Å; K127-S129 PolarHBondContact O-N 2.91Å; S129-W131 VanDerWaalsContact C-N 3.29Å; S129-W131 PolarHBondContact O-N 3.14Å; S129-W131 PolarHBondContact OG-N 3.24Å; S129-L132 PolarHBondContact O-N 3.16Å; S129-G133 PolarHBondContact OG-N 3Å; S129-G133 VanDerWaalsContact OG-N 3.14Å; S129-H448 WeakPolarHBondContact CA-O 3.43Å; S129-H448 WeakPolarHBondContact CB-O 3.28Å; S129-A450 WeakPolarHBondContact O-CB 3.47Å; S129-A450 PolarHBondContact O-N 3.45Å
130	D	98.4	Very high	98.6	Very high	11 Å²	11	9 Å²	9	6%	0.059	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	42.6	-175.6	-155.7	7.3	0	0	0	112.6	V126 K127 G128 L132 A450 R590 G591 R601	V126-D130 PolarHBondContact O-N 3.09Å; K127-D130 PolarHBondContact O-N 2.68Å; K127-D130 VanDerWaalsContact O-N 3.1Å; G128-D130 PolarHBondContact O-N 2.77Å; D130-L132 PolarHBondContact O-N 3Å; D130-L132 VanDerWaalsContact O-N 3.11Å; D130-A450 HydrophobicContact CB-CB 4.32Å; D130-R590 HydrophobicContact CB-CG 3.81Å; D130-R590 PolarHBondContact O-NH1 3.23Å; D130-R590 WeakPolarHBondContact OD2-CA 3.38Å; D130-R590 VanDerWaalsContact OD2-CG 3.3Å; D130-R590 WeakPolarHBondContact OD2-CG 3.41Å; D130-G591 PolarHBondContact OD2-N 3.3Å; D130-R601 VanDerWaalsContact OD1-CD 3.27Å; D130-R601 WeakPolarHBondContact OD1-CD 3.23Å; D130-R601 IonicContact OD1-CZ 3.02Å; D130-R601 IonicContact OD1-NE 3.41Å; D130-R601 IonicContact OD1-NH1 3.66Å; D130-R601 PolarHBondContact OD1-NH1 3.21Å
131	W	98.7	Very high	98.6	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.015	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	28.9	-179.9	-57.9	-93.4	0	0	0	114.7	V126 K127 S129 R624 P659 P660 A661 R663	V126-W131 HydrophobicContact CG1-CG 4.45Å; V126-W131 PolarHBondContact O-N 3.48Å; K127-W131 HydrophobicContact CG-CH2 4.37Å; S129-W131 VanDerWaalsContact C-N 3.29Å; S129-W131 PolarHBondContact O-N 3.14Å; S129-W131 PolarHBondContact OG-N 3.24Å; W131-R624 WeakPolarHBondContact O-CG 3.31Å; W131-P659 PolarHBondContact NE1-O 2.99Å; W131-P660 HydrophobicContact CB-CB 4.34Å; W131-P660 HydrophobicContact CB-CG 4.14Å; W131-P660 HydrophobicContact CD2-CB 4.2Å; W131-P660 HydrophobicContact CG-CB 4Å; W131-P660 HydrophobicContact CG-CG 4.07Å; W131-A661 HydrophobicContact CH2-CB 3.95Å; W131-A661 WeakPolarHBondContact CH2-O 3.35Å; W131-A661 HydrophobicContact CZ2-CB 3.76Å; W131-A661 WeakPolarHBondContact CZ3-O 3.39Å; W131-R663 HydrophobicContact CH2-CB 4Å; W131-R663 HydrophobicContact CZ3-CB 3.69Å
132	L	98.8	Very high	98.6	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.035	C	C	.	.			trans	-105.1	4.8	164.5	-160.6	70.5	0	0	0	111.2	S129 D130 F291 G449 A450 H626 V645	S129-L132 PolarHBondContact O-N 3.16Å; D130-L132 PolarHBondContact O-N 3Å; D130-L132 VanDerWaalsContact O-N 3.11Å; L132-F291 HydrophobicContact CD2-CD2 4.02Å; L132-F291 HydrophobicContact CD2-CE1 4.1Å; L132-F291 HydrophobicContact CD2-CE2 3.33Å; L132-F291 HydrophobicContact CD2-CZ 3.37Å; L132-G449 VanDerWaalsContact C-CA 3.47Å; L132-G449 VanDerWaalsContact O-CA 3.24Å; L132-G449 WeakPolarHBondContact O-CA 3.28Å; L132-A450 HydrophobicContact CB-CB 4.22Å; L132-A450 HydrophobicContact CD2-CB 4.04Å; L132-H626 PolarHBondContact O-CE1 2.9Å; L132-V645 HydrophobicContact CD1-CG2 3.86Å
133	G	98.5	Very high	98.6	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.01	5%	0.05	C	C	.	.	S	Bend	trans	-88.5	137.3	172.4	0	0	0	0	0	111.3	S129 Q135 S446 V645	S129-G133 PolarHBondContact OG-N 3Å; S129-G133 VanDerWaalsContact OG-N 3.14Å; G133-Q135 PolarHBondContact O-N 2.85Å; G133-S446 CarbonylContact C-O 3.47Å; G133-S446 VanDerWaalsContact CA-O 3.23Å; G133-S446 WeakPolarHBondContact CA-O 3.49Å; G133-V645 WeakPolarHBondContact O-CG1 3.41Å
134	D	98.4	Very high	98.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.052	C	C	.	.			trans	-73.1	115.1	174.9	-68.9	-56.5	0	0	0	109	D136 A137 I138 S446 H626 R643 I646	D134-D136 PolarHBondContact O-N 2.63Å; D134-A137 HydrophobicContact CB-CB 4.43Å; D134-A137 PolarHBondContact O-N 3.16Å; D134-I138 WeakPolarHBondContact O-CG1 3.39Å; D134-I138 PolarHBondContact O-N 3.21Å; D134-S446 PolarHBondContact N-O 3.25Å; D134-S446 PolarHBondContact OD2-N 3.3Å; D134-H626 IonicContact OD1-NE2 3.32Å; D134-H626 PolarHBondContact OD1-NE2 3.33Å; D134-H626 IonicContact OD2-CE1 2.78Å; D134-H626 IonicContact OD2-NE2 3.47Å; D134-H626 PolarHBondContact OD2-NE2 3.36Å; D134-R643 IonicContact OD1-CZ 3.31Å; D134-R643 IonicContact OD1-NH1 3.07Å; D134-R643 IonicContact OD1-NH2 2.81Å; D134-R643 PolarHBondContact OD1-NH2 3.38Å; D134-R643 IonicContact OD2-NH1 2.75Å; D134-R643 PolarHBondContact OD2-NH1 3.19Å; D134-R643 IonicContact OD2-NH2 3.73Å; D134-I646 CarbonylContact C-O 3.57Å; D134-I646 WeakPolarHBondContact CA-O 3.34Å; D134-I646 HydrophobicContact CB-CB 4.17Å; D134-I646 WeakPolarHBondContact OD1-CB 3.3Å; D134-I646 PolarHBondContact OD1-N 2.99Å
135	Q	98.6	Very high	98.6	Very high	1 Å²	1	11 Å²	11	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-72.5	-24.9	-167.8	-62.4	-162.6	44.2	0	0	113.4	F122 V126 G133 H139 I646 D647 V658	F122-Q135 HydrophobicContact CE2-CB 4.23Å; F122-Q135 WeakPolarHBondContact CE2-O 3.31Å; F122-Q135 HydrophobicContact CZ-CB 4.07Å; F122-Q135 HydrophobicContact CZ-CG 4.45Å; V126-Q135 HydrophobicContact CG1-CG 4.38Å; V126-Q135 HydrophobicContact CG2-CG 4.05Å; G133-Q135 PolarHBondContact O-N 2.85Å; Q135-H139 WeakPolarHBondContact O-CB 3.3Å; Q135-H139 PolarHBondContact O-N 3Å; Q135-I646 PolarHBondContact N-O 3.07Å; Q135-D647 WeakPolarHBondContact CB-O 3.45Å; Q135-V658 PolarHBondContact NE2-O 3.32Å
136	D	97.9	Very high	98.6	Very high	17 Å²	17	12.6 Å²	12.6	9%	0.091	6%	0.061	C	C	.	.	H	α-helix	trans	-64.1	-45.3	171.1	59.1	-19.3	0	0	0	111.5	D134 H139 Y140 Y416 I646 S648 L650	D134-D136 PolarHBondContact O-N 2.63Å; D136-H139 PolarHBondContact O-N 2.79Å; D136-Y140 PolarHBondContact O-N 3.19Å; D136-Y416 HydrophobicContact CB-CD1 4.45Å; D136-I646 HydrophobicContact CB-CG2 4.33Å; D136-S648 WeakPolarHBondContact CB-O 3.1Å; D136-S648 PolarHBondContact N-O 3.13Å; D136-L650 HydrophobicContact CB-CD2 3.98Å; D136-L650 HydrophobicContact CB-CG 4.42Å
137	A	98.3	Very high	98.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67.8	-39.8	175.9	0	0	0	0	0	111.9	D134 Y140 M141 A445 V447 F464	D134-A137 HydrophobicContact CB-CB 4.43Å; D134-A137 PolarHBondContact O-N 3.16Å; A137-Y140 PolarHBondContact O-N 2.86Å; A137-M141 WeakPolarHBondContact O-CB 3.48Å; A137-M141 PolarHBondContact O-N 3.48Å; A137-A445 HydrophobicContact CB-CB 4.27Å; A137-V447 VanDerWaalsContact C-CG1 3.47Å; A137-V447 HydrophobicContact CB-CG1 3.62Å; A137-V447 WeakPolarHBondContact O-CG1 3.29Å; A137-F464 HydrophobicContact CB-CZ 4.33Å
138	I	98.8	Very high	98.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.7	-44.6	176.3	-63.3	169.4	0	0	0	110.3	F122 T125 V126 D134 Y140 M141 T142 V447	F122-I138 HydrophobicContact CD2-CB 4.12Å; F122-I138 HydrophobicContact CD2-CG2 3.57Å; F122-I138 HydrophobicContact CE2-CB 4.07Å; F122-I138 HydrophobicContact CE2-CG2 3.97Å; F122-I138 HydrophobicContact CG-CG2 4.45Å; T125-I138 HydrophobicContact CG2-CB 4.49Å; T125-I138 HydrophobicContact CG2-CD1 4.14Å; T125-I138 HydrophobicContact CG2-CG1 4.07Å; T125-I138 HydrophobicContact CG2-CG2 3.58Å; V126-I138 HydrophobicContact CG2-CD1 3.84Å; V126-I138 HydrophobicContact CG2-CG2 4.16Å; D134-I138 WeakPolarHBondContact O-CG1 3.39Å; D134-I138 PolarHBondContact O-N 3.21Å; I138-Y140 PolarHBondContact O-N 3.2Å; I138-M141 PolarHBondContact O-N 2.9Å; I138-T142 HydrophobicContact CG2-CG2 4.23Å; I138-T142 PolarHBondContact O-N 3.2Å; I138-T142 PolarHBondContact O-OG1 3.39Å; I138-V447 HydrophobicContact CG1-CB 4.05Å; I138-V447 HydrophobicContact CG1-CG1 4.27Å
139	H	98.8	Very high	98.6	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.019	8%	0.082	C	C	.	.	H	α-helix	trans	-53.2	-56.9	175.4	-178.4	153.1	0	0	0	109.6	W118 F122 Q135 D136 M141 T142 E143 S649 L650	W118-H139 AromaticContact CH2-CD2 3.62Å; W118-H139 AromaticContact CH2-CE1 3.92Å; W118-H139 AromaticContact CH2-NE2 3.39Å; W118-H139 WeakPolarHBondContact CH2-NE2 3.43Å; W118-H139 AromaticContact CZ3-CD2 3.75Å; F122-H139 HydrophobicContact CD2-CB 4.18Å; F122-H139 HydrophobicContact CE2-CB 3.98Å; Q135-H139 WeakPolarHBondContact O-CB 3.3Å; Q135-H139 PolarHBondContact O-N 3Å; D136-H139 PolarHBondContact O-N 2.79Å; H139-M141 VanDerWaalsContact C-N 3.3Å; H139-M141 PolarHBondContact O-N 2.67Å; H139-T142 PolarHBondContact O-N 3.08Å; H139-T142 PolarHBondContact O-OG1 3.46Å; H139-E143 IonicContact NE2-OE2 3.87Å; H139-E143 WeakPolarHBondContact O-CB 3.44Å; H139-E143 PolarHBondContact O-N 3.24Å; H139-S649 WeakPolarHBondContact ND1-CB 3.42Å; H139-S649 PolarHBondContact ND1-OG 3.4Å; H139-L650 HydrophobicContact CB-CG 4.47Å; H139-L650 PolarHBondContact ND1-N 3.5Å
140	Y	98.6	Very high	98.6	Very high	36 Å²	36	17.4 Å²	17.4	14%	0.141	10%	0.1	C	C	.	.	H	α-helix	trans	-53.5	-47.8	178.6	-171.4	-100.3	0	0	0	111.8	D136 A137 I138 T142 Q144 Y416 V463 F464 A467 L650	D136-Y140 PolarHBondContact O-N 3.19Å; A137-Y140 PolarHBondContact O-N 2.86Å; I138-Y140 PolarHBondContact O-N 3.2Å; Y140-T142 PolarHBondContact O-N 2.98Å; Y140-Q144 HydrophobicContact CD1-CG 4.33Å; Y140-Q144 HydrophobicContact CD2-CG 4.17Å; Y140-Q144 HydrophobicContact CE1-CG 4.11Å; Y140-Q144 HydrophobicContact CE2-CG 3.97Å; Y140-Q144 HydrophobicContact CG-CG 4.36Å; Y140-Q144 VanDerWaalsContact O-CB 3.25Å; Y140-Q144 WeakPolarHBondContact O-CB 3.46Å; Y140-Q144 WeakPolarHBondContact O-CG 3.42Å; Y140-Q144 PolarHBondContact O-N 3.37Å; Y140-Y416 HydrophobicContact CD2-CD2 4.38Å; Y140-Y416 HydrophobicContact CG-CD2 4.4Å; Y140-V463 HydrophobicContact CD1-CG1 3.67Å; Y140-V463 HydrophobicContact CE1-CG1 3.5Å; Y140-F464 HydrophobicContact CD1-CE1 4.13Å; Y140-A467 HydrophobicContact CE1-CB 3.91Å; Y140-L650 HydrophobicContact CD2-CD1 4.03Å; Y140-L650 HydrophobicContact CG-CD1 4.48Å
141	M	98.8	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.1	-46.7	-178.5	-175	-176	64	0	0	112.6	T125 A137 I138 H139 A145 V447 N456 L459 D460 F464	T125-M141 HydrophobicContact CG2-CE 3.91Å; A137-M141 WeakPolarHBondContact O-CB 3.48Å; A137-M141 PolarHBondContact O-N 3.48Å; I138-M141 PolarHBondContact O-N 2.9Å; H139-M141 VanDerWaalsContact C-N 3.3Å; H139-M141 PolarHBondContact O-N 2.67Å; M141-A145 PolarHBondContact O-N 3.06Å; M141-V447 HydrophobicContact CB-CG1 4.2Å; M141-V447 HydrophobicContact CE-CB 3.88Å; M141-V447 HydrophobicContact CE-CG1 4.43Å; M141-V447 HydrophobicContact CE-CG2 4.11Å; M141-V447 HydrophobicContact SD-CB 3.94Å; M141-V447 HydrophobicContact SD-CG1 4.22Å; M141-V447 HydrophobicContact SD-CG2 3.66Å; M141-N456 HydrophobicContact CE-CB 4.49Å; M141-L459 HydrophobicContact CE-CD2 4.45Å; M141-L459 HydrophobicContact CG-CD2 3.71Å; M141-L459 HydrophobicContact CG-CG 3.78Å; M141-L459 HydrophobicContact SD-CD2 4.11Å; M141-L459 HydrophobicContact SD-CG 4.24Å; M141-D460 HydrophobicContact SD-CB 4.09Å; M141-F464 HydrophobicContact CB-CE2 3.98Å; M141-F464 HydrophobicContact CB-CZ 4.1Å; M141-F464 HydrophobicContact CG-CE2 4.14Å; M141-F464 HydrophobicContact SD-CE2 4.26Å
142	T	98.8	Very high	98.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-76.8	-37.1	-174.3	52.5	0	0	0	0	112.8	H121 F122 I138 H139 Y140 A145	H121-T142 HydrophobicContact CB-CG2 4.26Å; F122-T142 HydrophobicContact CB-CG2 4.49Å; I138-T142 HydrophobicContact CG2-CG2 4.23Å; I138-T142 PolarHBondContact O-N 3.2Å; I138-T142 PolarHBondContact O-OG1 3.39Å; H139-T142 PolarHBondContact O-N 3.08Å; H139-T142 PolarHBondContact O-OG1 3.46Å; Y140-T142 PolarHBondContact O-N 2.98Å; T142-A145 WeakPolarHBondContact O-CB 3.48Å; T142-A145 PolarHBondContact O-N 3.38Å
143	E	98.7	Very high	98.6	Very high	70 Å²	70	21.1 Å²	21.1	33%	0.327	12%	0.117	S	C	.	.	H	α-helix	trans	-66.2	-40.5	175.5	-171.7	-166.1	-159.4	0	0	111.3	W118 H139 A145 P146	W118-E143 HydrophobicContact CD2-CB 4.05Å; W118-E143 HydrophobicContact CD2-CG 4.28Å; W118-E143 HydrophobicContact CE3-CB 3.94Å; W118-E143 HydrophobicContact CH2-CB 4.29Å; W118-E143 HydrophobicContact CH2-CG 4.47Å; W118-E143 HydrophobicContact CZ2-CB 4.4Å; W118-E143 HydrophobicContact CZ2-CG 4.17Å; W118-E143 HydrophobicContact CZ3-CB 4.08Å; H139-E143 IonicContact NE2-OE2 3.87Å; H139-E143 WeakPolarHBondContact O-CB 3.44Å; H139-E143 PolarHBondContact O-N 3.24Å; E143-A145 VanDerWaalsContact C-N 3.28Å; E143-A145 PolarHBondContact O-N 2.81Å; E143-P146 WeakPolarHBondContact O-CD 3.31Å
144	Q	98.6	Very high	98.6	Very high	52 Å²	52	26.6 Å²	26.6	24%	0.243	15%	0.146	C	C	.	.	H	α-helix	trans	-78.3	-10.3	179.6	-62.2	-60	-52.2	0	0	113.5	Y140 A147 A148 V463	Y140-Q144 HydrophobicContact CD1-CG 4.33Å; Y140-Q144 HydrophobicContact CD2-CG 4.17Å; Y140-Q144 HydrophobicContact CE1-CG 4.11Å; Y140-Q144 HydrophobicContact CE2-CG 3.97Å; Y140-Q144 HydrophobicContact CG-CG 4.36Å; Y140-Q144 VanDerWaalsContact O-CB 3.25Å; Y140-Q144 WeakPolarHBondContact O-CB 3.46Å; Y140-Q144 WeakPolarHBondContact O-CG 3.42Å; Y140-Q144 PolarHBondContact O-N 3.37Å; Q144-A147 PolarHBondContact O-N 2.93Å; Q144-A148 WeakPolarHBondContact O-CB 3.43Å; Q144-A148 PolarHBondContact O-N 3.43Å; Q144-V463 HydrophobicContact CB-CG1 4.17Å; Q144-V463 HydrophobicContact CB-CG2 4.27Å
145	A	98.8	Very high	98.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.1	-46.5	-174.2	0	0	0	0	0	114.4	A108 M141 T142 E143 A147 A148 V149 L459	A108-A145 HydrophobicContact CB-CB 3.96Å; M141-A145 PolarHBondContact O-N 3.06Å; T142-A145 WeakPolarHBondContact O-CB 3.48Å; T142-A145 PolarHBondContact O-N 3.38Å; E143-A145 VanDerWaalsContact C-N 3.28Å; E143-A145 PolarHBondContact O-N 2.81Å; A145-A147 PolarHBondContact O-N 3.19Å; A145-A148 PolarHBondContact O-N 3.03Å; A145-V149 WeakPolarHBondContact O-CG2 3.47Å; A145-V149 PolarHBondContact O-N 3.21Å; A145-L459 HydrophobicContact CB-CD1 3.44Å; A145-L459 VanDerWaalsContact CB-CD1 3.44Å; A145-L459 HydrophobicContact CB-CD2 3.69Å; A145-L459 HydrophobicContact CB-CG 4.21Å
146	P	98.8	Very high	98.6	Very high	35 Å²	35	31.2 Å²	31.2	23%	0.227	18%	0.182	C	C	.	.	H	α-helix	trans	-57.8	-47.6	177	-26.4	37.9	0	0	0	112.7	L110 E143 A148 V149 V150	L110-P146 HydrophobicContact CD2-CB 3.89Å; E143-P146 WeakPolarHBondContact O-CD 3.31Å; P146-A148 PolarHBondContact O-N 3.08Å; P146-V149 PolarHBondContact O-N 3.16Å; P146-V150 WeakPolarHBondContact O-CB 3.42Å; P146-V150 VanDerWaalsContact O-CG2 3.26Å; P146-V150 WeakPolarHBondContact O-CG2 3.21Å; P146-V150 PolarHBondContact O-N 2.53Å
147	A	98.7	Very high	98.7	Very high	61 Å²	61	30.5 Å²	30.5	50%	0.504	18%	0.178	S	C	.	.	H	α-helix	trans	-64.2	-41.6	-179.9	0	0	0	0	0	111.9	Q144 A145 V150 E151	Q144-A147 PolarHBondContact O-N 2.93Å; A145-A147 PolarHBondContact O-N 3.19Å; A147-V150 PolarHBondContact O-N 2.91Å; A147-E151 WeakPolarHBondContact O-CB 3.3Å; A147-E151 PolarHBondContact O-N 3.11Å
148	A	98.6	Very high	98.7	Very high	8 Å²	8	34 Å²	34	7%	0.066	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-41	178.9	0	0	0	0	0	112.6	Q144 A145 P146 E151 L152 V462 V463	Q144-A148 WeakPolarHBondContact O-CB 3.43Å; Q144-A148 PolarHBondContact O-N 3.43Å; A145-A148 PolarHBondContact O-N 3.03Å; P146-A148 PolarHBondContact O-N 3.08Å; A148-E151 WeakPolarHBondContact O-CB 3.28Å; A148-E151 PolarHBondContact O-N 3.3Å; A148-L152 WeakPolarHBondContact O-CG 3.49Å; A148-L152 PolarHBondContact O-N 2.74Å; A148-V462 HydrophobicContact CB-CG2 4.01Å; A148-V463 HydrophobicContact CB-CG2 3.96Å
149	V	98.8	Very high	98.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-70.3	-39.3	177.2	173.3	0	0	0	0	111.5	I106 A108 L110 A145 P146 E151 L152 E153 F159 I167 C189	I106-V149 HydrophobicContact CD1-CG2 3.9Å; I106-V149 HydrophobicContact CG1-CG2 3.97Å; I106-V149 HydrophobicContact CG2-CG2 4.1Å; A108-V149 HydrophobicContact CB-CB 4.01Å; A108-V149 HydrophobicContact CB-CG2 3.57Å; L110-V149 HydrophobicContact CD1-CG1 4.06Å; A145-V149 WeakPolarHBondContact O-CG2 3.47Å; A145-V149 PolarHBondContact O-N 3.21Å; P146-V149 PolarHBondContact O-N 3.16Å; V149-E151 VanDerWaalsContact C-N 3.32Å; V149-E151 PolarHBondContact O-N 2.82Å; V149-L152 WeakPolarHBondContact O-CB 3.38Å; V149-L152 PolarHBondContact O-N 3.22Å; V149-E153 PolarHBondContact O-N 3.46Å; V149-F159 HydrophobicContact CG1-CE2 4.25Å; V149-F159 HydrophobicContact CG1-CZ 3.94Å; V149-I167 HydrophobicContact CG1-CD1 3.96Å; V149-C189 HydrophobicContact CG1-CB 4.21Å
150	V	98.7	Very high	98.7	Very high	65 Å²	65	35.4 Å²	35.4	39%	0.394	21%	0.21	S	C	.	.	H	α-helix	trans	-64.4	-37	174.2	170.5	0	0	0	0	111.2	L110 P146 A147 L152 E153 N154	L110-V150 HydrophobicContact CD2-CG2 4.25Å; P146-V150 WeakPolarHBondContact O-CB 3.42Å; P146-V150 VanDerWaalsContact O-CG2 3.26Å; P146-V150 WeakPolarHBondContact O-CG2 3.21Å; P146-V150 PolarHBondContact O-N 2.53Å; A147-V150 PolarHBondContact O-N 2.91Å; V150-L152 VanDerWaalsContact C-N 3.34Å; V150-L152 PolarHBondContact O-N 3.02Å; V150-E153 PolarHBondContact O-N 3.15Å; V150-N154 VanDerWaalsContact CG1-ND2 3.31Å; V150-N154 WeakPolarHBondContact CG1-ND2 3.2Å; V150-N154 WeakPolarHBondContact O-CB 3.26Å; V150-N154 PolarHBondContact O-N 2.84Å; V150-N154 PolarHBondContact O-ND2 2.75Å
151	E	98.7	Very high	98.7	Very high	42 Å²	42	38.7 Å²	38.7	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-58.4	-45.5	173.2	-175.7	-175.8	-108.4	0	0	111.3	R74 A147 A148 V149 N154 F155 R466	R74-E151 IonicContact CZ-OE1 2.72Å; R74-E151 IonicContact CZ-OE2 3.66Å; R74-E151 IonicContact NE-OE2 3.14Å; R74-E151 PolarHBondContact NE-OE2 2.95Å; R74-E151 VanDerWaalsContact NH2-CD 3.32Å; R74-E151 IonicContact NH2-OE1 3.65Å; R74-E151 PolarHBondContact NH2-OE1 3.43Å; R74-E151 IonicContact NH2-OE2 3.62Å; R74-E151 PolarHBondContact NH2-OE2 2.69Å; A147-E151 WeakPolarHBondContact O-CB 3.3Å; A147-E151 PolarHBondContact O-N 3.11Å; A148-E151 WeakPolarHBondContact O-CB 3.28Å; A148-E151 PolarHBondContact O-N 3.3Å; V149-E151 VanDerWaalsContact C-N 3.32Å; V149-E151 PolarHBondContact O-N 2.82Å; E151-N154 PolarHBondContact O-N 3Å; E151-F155 HydrophobicContact CG-CD2 4.38Å; E151-F155 HydrophobicContact CG-CE1 4.01Å; E151-F155 HydrophobicContact CG-CE2 3.64Å; E151-F155 HydrophobicContact CG-CZ 3.42Å; E151-F155 VanDerWaalsContact CG-CZ 3.42Å; E151-F155 VanDerWaalsContact O-CG 3.3Å; E151-F155 WeakPolarHBondContact O-CG 3.41Å; E151-F155 PolarHBondContact O-N 2.97Å; E151-R466 IonicContact OE1-NE 2.73Å
152	L	98.8	Very high	98.7	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-41.9	177.1	-67.3	172.7	0	0	0	112.8	I106 A148 V149 V150 F155 G156 M157 F159 L199 L203 V462	I106-L152 HydrophobicContact CD1-CD1 4Å; A148-L152 WeakPolarHBondContact O-CG 3.49Å; A148-L152 PolarHBondContact O-N 2.74Å; V149-L152 WeakPolarHBondContact O-CB 3.38Å; V149-L152 PolarHBondContact O-N 3.22Å; V150-L152 VanDerWaalsContact C-N 3.34Å; V150-L152 PolarHBondContact O-N 3.02Å; L152-F155 WeakPolarHBondContact O-CB 3.38Å; L152-F155 PolarHBondContact O-N 2.83Å; L152-G156 PolarHBondContact O-N 3.39Å; L152-M157 HydrophobicContact CB-CB 4.29Å; L152-M157 HydrophobicContact CB-SD 4Å; L152-M157 HydrophobicContact CD1-SD 4.12Å; L152-M157 WeakPolarHBondContact O-CB 3.27Å; L152-M157 PolarHBondContact O-N 3.17Å; L152-M157 VanDerWaalsContact O-N 3.08Å; L152-F159 HydrophobicContact CB-CE2 4.29Å; L152-L199 HydrophobicContact CD1-CD1 3.88Å; L152-L199 HydrophobicContact CD1-CG 4.44Å; L152-L203 HydrophobicContact CD2-CD2 3.7Å; L152-L203 HydrophobicContact CD2-CG 4.21Å; L152-V462 HydrophobicContact CD1-CG1 4.26Å; L152-V462 HydrophobicContact CD1-CG2 4.49Å; L152-V462 HydrophobicContact CD2-CG1 4.28Å
153	E	98.8	Very high	98.6	Very high	52 Å²	52	49.4 Å²	49.4	24%	0.243	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-43.3	177.5	-164	-85.3	172	0	0	111.1	V149 V150 F155 G156 F159 R161 I167	V149-E153 PolarHBondContact O-N 3.46Å; V150-E153 PolarHBondContact O-N 3.15Å; E153-F155 PolarHBondContact O-N 2.8Å; E153-G156 WeakPolarHBondContact O-CA 3.43Å; E153-G156 PolarHBondContact O-N 3.49Å; E153-F159 HydrophobicContact CB-CD2 3.98Å; E153-F159 HydrophobicContact CB-CE2 4.1Å; E153-F159 HydrophobicContact CG-CD2 3.99Å; E153-R161 IonicContact OE1-CZ 3.46Å; E153-R161 IonicContact OE1-NH1 3.91Å; E153-R161 PolarHBondContact OE1-NH1 2.81Å; E153-R161 IonicContact OE1-NH2 3.23Å; E153-R161 PolarHBondContact OE1-NH2 2.71Å; E153-I167 HydrophobicContact CB-CD1 3.99Å; E153-I167 HydrophobicContact CG-CD1 3.94Å; E153-I167 HydrophobicContact CG-CG1 4.18Å
154	N	98.8	Very high	98.6	Very high	116 Å²	116	52.7 Å²	52.7	62%	0.62	29%	0.29	S	S	*	.	H	α-helix	trans	-66.2	-23	175	-75.8	-61.2	0	0	0	113.6	V150 E151 G156	V150-N154 VanDerWaalsContact CG1-ND2 3.31Å; V150-N154 WeakPolarHBondContact CG1-ND2 3.2Å; V150-N154 WeakPolarHBondContact O-CB 3.26Å; V150-N154 PolarHBondContact O-N 2.84Å; V150-N154 PolarHBondContact O-ND2 2.75Å; E151-N154 PolarHBondContact O-N 3Å; N154-G156 PolarHBondContact O-N 2.85Å
155	F	98.6	Very high	98.5	Very high	44 Å²	44	52.2 Å²	52.2	19%	0.193	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-9.3	169	-65.4	-18.5	0	0	0	113.4	F77 E151 L152 E153 T202 L203 R206	F77-F155 HydrophobicContact CE2-CE2 4.28Å; F77-F155 HydrophobicContact CE2-CZ 4.38Å; F77-F155 AromaticContact CZ-CE2 4Å; F77-F155 HydrophobicContact CZ-CE2 4Å; E151-F155 HydrophobicContact CG-CD2 4.38Å; E151-F155 HydrophobicContact CG-CE1 4.01Å; E151-F155 HydrophobicContact CG-CE2 3.64Å; E151-F155 HydrophobicContact CG-CZ 3.42Å; E151-F155 VanDerWaalsContact CG-CZ 3.42Å; E151-F155 VanDerWaalsContact O-CG 3.3Å; E151-F155 WeakPolarHBondContact O-CG 3.41Å; E151-F155 PolarHBondContact O-N 2.97Å; L152-F155 WeakPolarHBondContact O-CB 3.38Å; L152-F155 PolarHBondContact O-N 2.83Å; E153-F155 PolarHBondContact O-N 2.8Å; F155-T202 HydrophobicContact CB-CG2 3.68Å; F155-L203 HydrophobicContact CD2-CD2 4.47Å; F155-R206 HydrophobicContact CD1-CG 4.25Å; F155-R206 HydrophobicContact CD2-CB 4.46Å; F155-R206 HydrophobicContact CD2-CG 4.05Å; F155-R206 HydrophobicContact CE1-CG 4.31Å; F155-R206 HydrophobicContact CE2-CG 4.11Å; F155-R206 HydrophobicContact CG-CG 4.12Å; F155-R206 HydrophobicContact CZ-CG 4.23Å
156	G	98.4	Very high	98.5	Very high	54 Å²	54	56.6 Å²	56.6	56%	0.557	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.3	17.3	179.8	0	0	0	0	0	114	L152 E153 N154 P158	L152-G156 PolarHBondContact O-N 3.39Å; E153-G156 WeakPolarHBondContact O-CA 3.43Å; E153-G156 PolarHBondContact O-N 3.49Å; N154-G156 PolarHBondContact O-N 2.85Å; G156-P158 WeakPolarHBondContact O-CD 3.36Å
157	M	98.7	Very high	98.5	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	31%	0.309	C	S	.	.			trans	-62	122.6	176.1	-173.6	166.6	169.3	0	0	110.1	L152 F159 V191 T195 L199 T202	L152-M157 HydrophobicContact CB-CB 4.29Å; L152-M157 HydrophobicContact CB-SD 4Å; L152-M157 HydrophobicContact CD1-SD 4.12Å; L152-M157 WeakPolarHBondContact O-CB 3.27Å; L152-M157 PolarHBondContact O-N 3.17Å; L152-M157 VanDerWaalsContact O-N 3.08Å; M157-F159 HydrophobicContact CB-CD2 4.13Å; M157-F159 HydrophobicContact CB-CE2 3.86Å; M157-F159 HydrophobicContact CE-CD1 4.44Å; M157-F159 HydrophobicContact CE-CE1 3.72Å; M157-F159 HydrophobicContact CE-CE2 4.29Å; M157-F159 HydrophobicContact CE-CZ 3.64Å; M157-F159 HydrophobicContact CG-CD2 4.06Å; M157-F159 HydrophobicContact CG-CE2 3.75Å; M157-F159 HydrophobicContact CG-CZ 4.07Å; M157-F159 PolarHBondContact O-N 2.65Å; M157-F159 HydrophobicContact SD-CE1 4.17Å; M157-F159 HydrophobicContact SD-CE2 3.68Å; M157-F159 HydrophobicContact SD-CZ 3.46Å; M157-F159 WeakPolarHBondContact SD-CZ 3.49Å; M157-V191 HydrophobicContact CE-CG2 3.71Å; M157-V191 HydrophobicContact CG-CG2 4.34Å; M157-T195 HydrophobicContact CE-CG2 3.52Å; M157-T195 WeakPolarHBondContact CE-O 3.34Å; M157-L199 HydrophobicContact CE-CB 3.75Å; M157-L199 HydrophobicContact SD-CB 3.98Å; M157-L199 HydrophobicContact SD-CG 4.42Å; M157-T202 HydrophobicContact CB-CG2 4.07Å
158	P	98.6	Very high	98.5	Very high	74 Å²	74	53.7 Å²	53.7	48%	0.481	29%	0.29	S	S	.	.			trans	-82.4	61.6	-169.1	33.4	-37.9	0	0	0	112.4	G156 V191	G156-P158 WeakPolarHBondContact O-CD 3.36Å; P158-V191 HydrophobicContact CG-CG1 4.33Å; P158-V191 WeakPolarHBondContact O-CG1 3.49Å
159	F	98.9	Very high	98.5	Very high	7 Å²	7	53.4 Å²	53.4	3%	0.031	29%	0.287	C	S	.	.			trans	-53.1	140.5	175.3	-74.8	-74.6	0	0	0	112	I106 V149 L152 E153 M157 R161 I167 C189 V191	I106-F159 HydrophobicContact CG2-CE1 4Å; I106-F159 HydrophobicContact CG2-CZ 4.15Å; V149-F159 HydrophobicContact CG1-CE2 4.25Å; V149-F159 HydrophobicContact CG1-CZ 3.94Å; L152-F159 HydrophobicContact CB-CE2 4.29Å; E153-F159 HydrophobicContact CB-CD2 3.98Å; E153-F159 HydrophobicContact CB-CE2 4.1Å; E153-F159 HydrophobicContact CG-CD2 3.99Å; M157-F159 HydrophobicContact CB-CD2 4.13Å; M157-F159 HydrophobicContact CB-CE2 3.86Å; M157-F159 HydrophobicContact CE-CD1 4.44Å; M157-F159 HydrophobicContact CE-CE1 3.72Å; M157-F159 HydrophobicContact CE-CE2 4.29Å; M157-F159 HydrophobicContact CE-CZ 3.64Å; M157-F159 HydrophobicContact CG-CD2 4.06Å; M157-F159 HydrophobicContact CG-CE2 3.75Å; M157-F159 HydrophobicContact CG-CZ 4.07Å; M157-F159 PolarHBondContact O-N 2.65Å; M157-F159 HydrophobicContact SD-CE1 4.17Å; M157-F159 HydrophobicContact SD-CE2 3.68Å; M157-F159 HydrophobicContact SD-CZ 3.46Å; M157-F159 WeakPolarHBondContact SD-CZ 3.49Å; F159-R161 PolarHBondContact O-NE 2.78Å; F159-I167 HydrophobicContact CB-CB 4.39Å; F159-I167 HydrophobicContact CB-CG1 4Å; F159-I167 HydrophobicContact CB-CG2 3.96Å; F159-I167 HydrophobicContact CD1-CG2 3.85Å; F159-I167 HydrophobicContact CD2-CD1 3.93Å; F159-I167 HydrophobicContact CD2-CG1 4.17Å; F159-I167 HydrophobicContact CE2-CD1 4.26Å; F159-I167 HydrophobicContact CG-CD1 4.26Å; F159-I167 HydrophobicContact CG-CG1 4.12Å; F159-I167 HydrophobicContact CG-CG2 3.89Å; F159-C189 HydrophobicContact CD1-CB 4.28Å; F159-C189 HydrophobicContact CE1-CB 3.89Å; F159-V191 HydrophobicContact CD1-CG2 4.1Å; F159-V191 HydrophobicContact CG-CG2 4.47Å
160	S	98.6	Very high	98.5	Very high	25 Å²	25	53.5 Å²	53.5	18%	0.175	29%	0.287	C	S	.	.			trans	-58.9	150.9	167.2	-64.5	0	0	0	0	109.3	Y168 C190 A192	S160-Y168 WeakPolarHBondContact O-CB 3.41Å; S160-Y168 PolarHBondContact O-N 2.82Å; S160-C190 PolarHBondContact N-O 2.82Å; S160-A192 PolarHBondContact OG-N 3.04Å
161	R	98.6	Very high	98.5	Very high	105 Å²	105	50.6 Å²	50.6	40%	0.396	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-114	151	-171.1	-58.1	-62.5	176.4	155.9	-5.3	113.1	E153 F159 G165 K166	E153-R161 IonicContact OE1-CZ 3.46Å; E153-R161 IonicContact OE1-NH1 3.91Å; E153-R161 PolarHBondContact OE1-NH1 2.81Å; E153-R161 IonicContact OE1-NH2 3.23Å; E153-R161 PolarHBondContact OE1-NH2 2.71Å; F159-R161 PolarHBondContact O-NE 2.78Å; R161-G165 WeakPolarHBondContact CD-O 3.49Å; R161-G165 PolarHBondContact NH1-O 2.92Å; R161-G165 VanDerWaalsContact NH1-O 3.13Å; R161-K166 CarbonylContact C-O 3.56Å; R161-K166 VanDerWaalsContact CA-O 3.23Å; R161-K166 WeakPolarHBondContact CA-O 3.49Å; R161-K166 WeakPolarHBondContact CD-O 3.3Å
162	T	98.4	Very high	98.5	Very high	27 Å²	27	48.7 Å²	48.7	17%	0.166	26%	0.261	C	S	.	.			trans	-82.5	171.9	162.5	68	0	0	0	0	109.9	M113 E164 G165 K166	M113-T162 HydrophobicContact SD-CG2 3.63Å; T162-E164 PolarHBondContact O-N 3Å; T162-E164 PolarHBondContact OG1-N 3.43Å; T162-G165 PolarHBondContact O-N 3.14Å; T162-K166 PolarHBondContact N-O 3.34Å; T162-K166 PolarHBondContact OG1-N 2.99Å
163	E	97.4	Very high	98.3	Very high	199 Å²	199	48.8 Å²	48.8	93%	0.93	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.4	173.6	-61.7	-59.4	150.6	0	0	112.7	G165	E163-G165 VanDerWaalsContact C-N 3.26Å; E163-G165 PolarHBondContact O-N 3.43Å
164	E	97.8	Very high	98.1	Very high	139 Å²	139	46.6 Å²	46.6	65%	0.65	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	0.2	177.2	-59.1	-175.8	176.7	0	0	113.5	T162 K166	T162-E164 PolarHBondContact O-N 3Å; T162-E164 PolarHBondContact OG1-N 3.43Å; E164-K166 HydrophobicContact CB-CD 4.47Å; E164-K166 HydrophobicContact CB-CG 4.36Å; E164-K166 PolarHBondContact O-N 2.96Å; E164-K166 VanDerWaalsContact OE2-CE 3.29Å; E164-K166 WeakPolarHBondContact OE2-CE 3.44Å; E164-K166 IonicContact OE2-NZ 3.46Å; E164-K166 PolarHBondContact OE2-NZ 2.91Å
165	G	98	Very high	98.1	Very high	42 Å²	42	41.3 Å²	41.3	43%	0.433	23%	0.225	S	C	.	.	S	Bend	trans	76.5	5.9	-175.6	0	0	0	0	0	114.7	R161 T162 E163	R161-G165 WeakPolarHBondContact CD-O 3.49Å; R161-G165 PolarHBondContact NH1-O 2.92Å; R161-G165 VanDerWaalsContact NH1-O 3.13Å; T162-G165 PolarHBondContact O-N 3.14Å; E163-G165 VanDerWaalsContact C-N 3.26Å; E163-G165 PolarHBondContact O-N 3.43Å
166	K	98.5	Very high	98.1	Very high	91 Å²	91	39.9 Å²	39.9	40%	0.396	22%	0.221	S	C	.	.	S	Bend	trans	-79.7	169.8	174.1	-64.6	176	-179.1	158.8	0	111.4	N112 R161 T162 E164 Y168	N112-K166 HydrophobicContact CB-CB 4.25Å; N112-K166 HydrophobicContact CB-CD 4.43Å; R161-K166 CarbonylContact C-O 3.56Å; R161-K166 VanDerWaalsContact CA-O 3.23Å; R161-K166 WeakPolarHBondContact CA-O 3.49Å; R161-K166 WeakPolarHBondContact CD-O 3.3Å; T162-K166 PolarHBondContact N-O 3.34Å; T162-K166 PolarHBondContact OG1-N 2.99Å; E164-K166 HydrophobicContact CB-CD 4.47Å; E164-K166 HydrophobicContact CB-CG 4.36Å; E164-K166 PolarHBondContact O-N 2.96Å; E164-K166 VanDerWaalsContact OE2-CE 3.29Å; E164-K166 WeakPolarHBondContact OE2-CE 3.44Å; E164-K166 IonicContact OE2-NZ 3.46Å; E164-K166 PolarHBondContact OE2-NZ 2.91Å; K166-Y168 PolarHBondContact O-N 3.49Å
167	I	98.8	Very high	98.1	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.051	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-65.9	122.3	176	-62.9	171.4	0	0	0	109.3	L110 N112 V149 E153 F159 C189	L110-I167 HydrophobicContact CD1-CB 4.21Å; L110-I167 HydrophobicContact CD1-CD1 3.92Å; L110-I167 HydrophobicContact CD1-CG2 4.38Å; N112-I167 WeakPolarHBondContact CB-O 3.34Å; N112-I167 PolarHBondContact ND2-O 2.7Å; V149-I167 HydrophobicContact CG1-CD1 3.96Å; E153-I167 HydrophobicContact CB-CD1 3.99Å; E153-I167 HydrophobicContact CG-CD1 3.94Å; E153-I167 HydrophobicContact CG-CG1 4.18Å; F159-I167 HydrophobicContact CB-CB 4.39Å; F159-I167 HydrophobicContact CB-CG1 4Å; F159-I167 HydrophobicContact CB-CG2 3.96Å; F159-I167 HydrophobicContact CD1-CG2 3.85Å; F159-I167 HydrophobicContact CD2-CD1 3.93Å; F159-I167 HydrophobicContact CD2-CG1 4.17Å; F159-I167 HydrophobicContact CE2-CD1 4.26Å; F159-I167 HydrophobicContact CG-CD1 4.26Å; F159-I167 HydrophobicContact CG-CG1 4.12Å; F159-I167 HydrophobicContact CG-CG2 3.89Å; I167-C189 HydrophobicContact CG2-CB 3.73Å
168	Y	98.8	Very high	98	Very high	26 Å²	26	44.5 Å²	44.5	10%	0.102	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-69.4	134.5	172.8	171.5	-103.7	0	0	0	111	M113 S160 K166 R170 C190 E313 R378	M113-Y168 HydrophobicContact CE-CD2 3.83Å; M113-Y168 HydrophobicContact CE-CE2 3.77Å; M113-Y168 HydrophobicContact SD-CD2 4Å; M113-Y168 HydrophobicContact SD-CE2 4.43Å; S160-Y168 WeakPolarHBondContact O-CB 3.41Å; S160-Y168 PolarHBondContact O-N 2.82Å; K166-Y168 PolarHBondContact O-N 3.49Å; Y168-R170 HydrophobicContact CE1-CB 4.04Å; Y168-C190 WeakPolarHBondContact CD1-SG 3.48Å; Y168-C190 PolarHBondContact O-N 3.06Å; Y168-E313 PolarHBondContact OH-OE1 3.27Å; Y168-R378 VanDerWaalsContact CD1-NH1 3.28Å
169	Q	98.8	Very high	97.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.7	178	-46.6	179.1	-99.6	0	0	109.6	A108 N112 M113 H186 R187 C188 C189	A108-Q169 PolarHBondContact O-NE2 3.33Å; N112-Q169 HydrophobicContact CB-CG 4.48Å; N112-Q169 VanDerWaalsContact CB-OE1 3.31Å; M113-Q169 HydrophobicContact CG-CB 3.67Å; M113-Q169 HydrophobicContact CG-CG 4.3Å; M113-Q169 WeakPolarHBondContact CG-O 3.32Å; M113-Q169 HydrophobicContact SD-CB 4.39Å; Q169-H186 WeakPolarHBondContact CB-O 3.4Å; Q169-R187 VanDerWaalsContact NE2-CA 3.32Å; Q169-R187 PolarHBondContact NE2-O 2.91Å; Q169-R187 VanDerWaalsContact NE2-O 3.15Å; Q169-C188 CarbonylContact C-O 3.58Å; Q169-C188 VanDerWaalsContact CA-O 3.28Å; Q169-C188 WeakPolarHBondContact CA-O 3.4Å; Q169-C189 PolarHBondContact NE2-SG 3.35Å; Q169-C189 VanDerWaalsContact NE2-SG 3.43Å
170	R	98.5	Very high	97.8	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	164.7	-179.8	67.9	179.4	72.4	-168.7	-0.3	111.7	Y168 F172 H186 C188 C190 A192 E313 R378	Y168-R170 HydrophobicContact CE1-CB 4.04Å; R170-F172 HydrophobicContact CG-CD2 4.38Å; R170-H186 WeakPolarHBondContact O-CA 3.36Å; R170-C188 HydrophobicContact CG-CB 4.04Å; R170-C188 PolarHBondContact N-O 2.66Å; R170-C188 WeakPolarHBondContact O-CB 3.47Å; R170-C188 PolarHBondContact O-N 3.39Å; R170-C190 PolarHBondContact NE-SG 3.46Å; R170-C190 PolarHBondContact NH2-SG 2.83Å; R170-A192 VanDerWaalsContact NH2-C 3.27Å; R170-A192 PolarHBondContact NH2-O 2.82Å; R170-E313 IonicContact CZ-OE1 2.82Å; R170-E313 IonicContact NE-OE1 3.58Å; R170-E313 IonicContact NH1-OE1 3.64Å; R170-E313 IonicContact NH2-OE1 3.7Å; R170-R378 PolarHBondContact NH1-O 3.42Å; R170-R378 PolarHBondContact NH2-O 3.15Å
171	A	98.3	Very high	97.7	Very high	4 Å²	4	55 Å²	55	3%	0.033	27%	0.27	C	S	.	.			trans	-67.9	149.3	170.3	0	0	0	0	0	110.6	Q184 H186 G312 L336	A171-Q184 HydrophobicContact CB-CG 3.81Å; A171-H186 PolarHBondContact N-CD2 3.32Å; A171-G312 WeakPolarHBondContact O-CA 3.31Å; A171-L336 HydrophobicContact CB-CD1 4.05Å
172	F	97.9	Very high	97.5	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.013	27%	0.266	C	S	.	.			trans	-149	161.6	176.6	-127.7	-107.7	0	0	0	110.5	R170 G174 Q184 C188 E308 G309 A455	R170-F172 HydrophobicContact CG-CD2 4.38Å; F172-G174 PolarHBondContact O-N 3.26Å; F172-Q184 PolarHBondContact O-NE2 3.47Å; F172-Q184 VanDerWaalsContact O-NE2 3.1Å; F172-C188 HydrophobicContact CB-CB 4Å; F172-C188 HydrophobicContact CD2-CB 4.02Å; F172-C188 VanDerWaalsContact CD2-SG 3.57Å; F172-C188 HydrophobicContact CG-CB 4.17Å; F172-E308 HydrophobicContact CD1-CB 4.4Å; F172-E308 HydrophobicContact CD1-CG 3.96Å; F172-E308 WeakPolarHBondContact CD1-OE1 3.45Å; F172-E308 HydrophobicContact CE1-CB 3.69Å; F172-E308 HydrophobicContact CE1-CG 3.76Å; F172-E308 VanDerWaalsContact CE1-OE1 3.22Å; F172-E308 WeakPolarHBondContact CE1-OE1 3.49Å; F172-E308 HydrophobicContact CE2-CB 4.27Å; F172-E308 HydrophobicContact CE2-CG 4.47Å; F172-E308 HydrophobicContact CG-CG 4.41Å; F172-E308 HydrophobicContact CZ-CB 3.61Å; F172-E308 HydrophobicContact CZ-CG 4.03Å; F172-G309 VanDerWaalsContact CE2-N 3.32Å; F172-A455 HydrophobicContact CD1-CB 4.32Å; F172-A455 HydrophobicContact CE1-CB 4.36Å
173	G	95.5	Very high	97.4	Very high	2 Å²	2	52.4 Å²	52.4	2%	0.021	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	132.8	-172.6	0	0	0	0	0	113.4	L336	G173-L336 CarbonylContact C-O 3.59Å; G173-L336 VanDerWaalsContact CA-O 3.26Å; G173-L336 WeakPolarHBondContact CA-O 3.45Å
174	G	95	Very high	97.4	Very high	5 Å²	5	45.8 Å²	45.8	5%	0.052	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	23.8	174.6	0	0	0	0	0	115.5	F172 L336	F172-G174 PolarHBondContact O-N 3.26Å; G174-L336 PolarHBondContact N-O 3.1Å
175	Q	98.3	Very high	97.5	Very high	5 Å²	5	39.2 Å²	39.2	2%	0.023	22%	0.22	C	C	.	.			trans	-110.5	131.4	-179.9	-63.8	-176.1	12	0	0	111.8	N107 D124 Q184 A185	N107-Q175 PolarHBondContact ND2-NE2 3.29Å; N107-Q175 PolarHBondContact OD1-NE2 3.36Å; D124-Q175 WeakPolarHBondContact OD2-CA 3.48Å; Q175-Q184 PolarHBondContact O-NE2 3.5Å; Q175-Q184 VanDerWaalsContact O-NE2 3.11Å; Q175-A185 HydrophobicContact CB-CB 4.23Å; Q175-A185 PolarHBondContact O-N 3.24Å
176	S	98.3	Very high	97.5	Very high	15 Å²	15	40.3 Å²	40.3	11%	0.105	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-139.6	159.2	-174.9	73.8	0	0	0	0	113.3	D124 G180 G183 R187	D124-S176 PolarHBondContact OD1-N 2.78Å; D124-S176 PolarHBondContact OD1-OG 3.32Å; D124-S176 PolarHBondContact OD2-N 3.21Å; S176-G180 WeakPolarHBondContact OG-CA 3.41Å; S176-G180 PolarHBondContact OG-N 3.27Å; S176-G183 CarbonylContact C-O 3.49Å; S176-G183 WeakPolarHBondContact CA-O 3.32Å; S176-R187 PolarHBondContact O-NH2 3.11Å
177	L	98.3	Very high	97.5	Very high	25 Å²	25	36 Å²	36	13%	0.131	20%	0.195	C	C	.	.	S	Bend	trans	-92.2	157.7	169.8	-54.2	174.3	0	0	0	110.1	E114 W120 Y179 G180 K181 G182 G183 A185	E114-L177 HydrophobicContact CG-CD1 4.1Å; E114-L177 HydrophobicContact CG-CD2 4.3Å; W120-L177 HydrophobicContact CE3-CB 3.97Å; W120-L177 HydrophobicContact CE3-CD2 3.77Å; W120-L177 HydrophobicContact CE3-CG 4.49Å; W120-L177 HydrophobicContact CZ3-CB 3.97Å; W120-L177 HydrophobicContact CZ3-CD2 3.77Å; W120-L177 HydrophobicContact CZ3-CG 4.41Å; L177-Y179 PolarHBondContact O-N 3.1Å; L177-G180 PolarHBondContact O-N 2.74Å; L177-K181 PolarHBondContact O-N 2.84Å; L177-G182 WeakPolarHBondContact O-CA 3.35Å; L177-G182 PolarHBondContact O-N 2.7Å; L177-G183 PolarHBondContact N-O 2.65Å; L177-A185 HydrophobicContact CD2-CB 3.58Å; L177-A185 HydrophobicContact CG-CB 4.03Å
178	K	97.3	Very high	97.5	Very high	128 Å²	128	35.5 Å²	35.5	56%	0.557	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	52.6	171.1	-56	179.6	-179.4	179.3	0	113.8	W120 G180 K181	W120-K178 HydrophobicContact CH2-CG 3.92Å; W120-K178 HydrophobicContact CZ2-CG 3.77Å; W120-K178 HydrophobicContact CZ3-CG 4.47Å; K178-G180 PolarHBondContact O-N 3.25Å; K178-K181 WeakPolarHBondContact O-CB 3.5Å; K178-K181 PolarHBondContact O-N 3.08Å
179	Y	97.1	Very high	97.5	Very high	99 Å²	99	34.2 Å²	34.2	39%	0.388	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	47.9	176.6	-54.5	-84.8	0	0	0	113.6	R119 W120 Y123 L177	R119-Y179 HydrophobicContact CB-CE1 4.24Å; R119-Y179 WeakPolarHBondContact CB-OH 3.3Å; W120-Y179 AromaticContact CD1-CD2 3.84Å; W120-Y179 AromaticContact CD1-CE2 3.68Å; W120-Y179 AromaticContact CD1-CZ 3.87Å; W120-Y179 AromaticContact NE1-CD2 3.94Å; W120-Y179 AromaticContact NE1-CE2 3.64Å; Y123-Y179 HydrophobicContact CD2-CD1 4.1Å; Y123-Y179 WeakPolarHBondContact CE1-O 3.38Å; Y123-Y179 AromaticContact CG-CD1 3.96Å; Y123-Y179 HydrophobicContact CG-CD1 3.96Å; L177-Y179 PolarHBondContact O-N 3.1Å
180	G	95.5	Very high	97.5	Very high	39 Å²	39	34.1 Å²	34.1	40%	0.402	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-2.3	179.3	0	0	0	0	0	115.7	S176 L177 K178	S176-G180 WeakPolarHBondContact OG-CA 3.41Å; S176-G180 PolarHBondContact OG-N 3.27Å; L177-G180 PolarHBondContact O-N 2.74Å; K178-G180 PolarHBondContact O-N 3.25Å
181	K	95.8	Very high	97.5	Very high	187 Å²	187	35 Å²	35	81%	0.813	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-11	-169.9	-57.5	175.2	-174.5	175	0	114.1	L177 K178	L177-K181 PolarHBondContact O-N 2.84Å; K178-K181 WeakPolarHBondContact O-CB 3.5Å; K178-K181 PolarHBondContact O-N 3.08Å
182	G	95.4	Very high	97.5	Very high	30 Å²	30	35.4 Å²	35.4	31%	0.309	20%	0.196	S	C	.	.	S	Bend	trans	-101	8.8	-170.2	0	0	0	0	0	115.6	L177	L177-G182 WeakPolarHBondContact O-CA 3.35Å; L177-G182 PolarHBondContact O-N 2.7Å
183	G	96.3	Very high	97.5	Very high	48 Å²	48	35.3 Å²	35.3	50%	0.495	20%	0.196	S	C	.	.			trans	86.6	-171.9	-175.1	0	0	0	0	0	113.4	S176 L177	S176-G183 CarbonylContact C-O 3.49Å; S176-G183 WeakPolarHBondContact CA-O 3.32Å; L177-G183 PolarHBondContact N-O 2.65Å
184	Q	98	Very high	97.6	Very high	61 Å²	61	40.4 Å²	40.4	29%	0.285	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-68.1	134.3	-177.7	177.9	64.5	57.3	0	0	111.1	A171 F172 Q175 L336	A171-Q184 HydrophobicContact CB-CG 3.81Å; F172-Q184 PolarHBondContact O-NE2 3.47Å; F172-Q184 VanDerWaalsContact O-NE2 3.1Å; Q175-Q184 PolarHBondContact O-NE2 3.5Å; Q175-Q184 VanDerWaalsContact O-NE2 3.11Å; Q184-L336 HydrophobicContact CG-CD1 4.28Å
185	A	98.4	Very high	97.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.			trans	-95.4	154.2	173.2	0	0	0	0	0	112.4	Q175 L177 R187	Q175-A185 HydrophobicContact CB-CB 4.23Å; Q175-A185 PolarHBondContact O-N 3.24Å; L177-A185 HydrophobicContact CD2-CB 3.58Å; L177-A185 HydrophobicContact CG-CB 4.03Å; A185-R187 VanDerWaalsContact CB-CZ 3.47Å; A185-R187 VanDerWaalsContact CB-NH2 3.32Å
186	H	98.6	Very high	97.8	Very high	65 Å²	65	40 Å²	40	30%	0.301	21%	0.211	S	C	.	.			trans	-118.3	75	173.8	-51.7	87.1	0	0	0	110.1	M113 E114 Q169 R170 A171	M113-H186 HydrophobicContact CB-CB 3.95Å; M113-H186 HydrophobicContact CG-CB 3.96Å; E114-H186 VanDerWaalsContact CD-ND1 3.32Å; E114-H186 WeakPolarHBondContact OE1-CA 3.3Å; E114-H186 WeakPolarHBondContact OE1-CB 3.19Å; E114-H186 IonicContact OE1-CG 3.53Å; E114-H186 PolarHBondContact OE1-N 2.99Å; E114-H186 IonicContact OE1-ND1 2.94Å; E114-H186 PolarHBondContact OE1-ND1 3.5Å; E114-H186 IonicContact OE2-CE1 2.73Å; E114-H186 IonicContact OE2-CG 2.92Å; E114-H186 IonicContact OE2-ND1 3.04Å; E114-H186 PolarHBondContact OE2-ND1 2.88Å; Q169-H186 WeakPolarHBondContact CB-O 3.4Å; R170-H186 WeakPolarHBondContact O-CA 3.36Å; A171-H186 PolarHBondContact N-CD2 3.32Å
187	R	98.6	Very high	97.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.			trans	-114.7	1	-178.8	70.6	175.2	68.4	94.6	-2.2	115.7	N107 A108 D116 D124 Q169 S176 A185 C189	N107-R187 WeakPolarHBondContact CA-O 3.07Å; A108-R187 PolarHBondContact N-O 3.48Å; A108-R187 VanDerWaalsContact N-O 3.09Å; D116-R187 IonicContact OD1-CZ 3.5Å; D116-R187 IonicContact OD1-NE 3.93Å; D116-R187 PolarHBondContact OD1-NE 3.3Å; D116-R187 IonicContact OD1-NH2 3.33Å; D116-R187 PolarHBondContact OD1-NH2 3.4Å; D116-R187 VanDerWaalsContact OD2-CB 3.31Å; D116-R187 WeakPolarHBondContact OD2-CB 3.5Å; D116-R187 IonicContact OD2-CZ 3.58Å; D116-R187 IonicContact OD2-NE 3.03Å; D116-R187 PolarHBondContact OD2-NE 3.28Å; D116-R187 IonicContact OD2-NH2 2.81Å; D124-R187 IonicContact OD2-CZ 2.91Å; D124-R187 IonicContact OD2-NH1 3Å; D124-R187 PolarHBondContact OD2-NH1 3.03Å; D124-R187 IonicContact OD2-NH2 2.82Å; Q169-R187 VanDerWaalsContact NE2-CA 3.32Å; Q169-R187 PolarHBondContact NE2-O 2.91Å; Q169-R187 VanDerWaalsContact NE2-O 3.15Å; S176-R187 PolarHBondContact O-NH2 3.11Å; A185-R187 VanDerWaalsContact CB-CZ 3.47Å; A185-R187 VanDerWaalsContact CB-NH2 3.32Å; R187-C189 PolarHBondContact O-N 2.92Å
188	C	98.8	Very high	97.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	96.8	178.8	-175.9	0	0	0	0	110.4	G105 N107 Q169 R170 F172 A455	G105-C188 VanDerWaalsContact CA-SG 3.52Å; N107-C188 WeakPolarHBondContact OD1-CA 3.48Å; N107-C188 WeakPolarHBondContact OD1-CB 3.45Å; Q169-C188 CarbonylContact C-O 3.58Å; Q169-C188 VanDerWaalsContact CA-O 3.28Å; Q169-C188 WeakPolarHBondContact CA-O 3.4Å; R170-C188 HydrophobicContact CG-CB 4.04Å; R170-C188 PolarHBondContact N-O 2.66Å; R170-C188 WeakPolarHBondContact O-CB 3.47Å; R170-C188 PolarHBondContact O-N 3.39Å; F172-C188 HydrophobicContact CB-CB 4Å; F172-C188 HydrophobicContact CD2-CB 4.02Å; F172-C188 VanDerWaalsContact CD2-SG 3.57Å; F172-C188 HydrophobicContact CG-CB 4.17Å; C188-A455 HydrophobicContact CB-CB 4.43Å; C188-A455 WeakPolarHBondContact SG-CB 3.25Å
189	C	98.9	Very high	97.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.2	176.4	-53.3	0	0	0	0	109.9	G105 I106 L110 V149 F159 I167 Q169 R187	G105-C189 CarbonylContact C-O 3.49Å; G105-C189 WeakPolarHBondContact CA-O 3.42Å; I106-C189 HydrophobicContact CG2-CB 3.99Å; I106-C189 PolarHBondContact N-O 3.18Å; I106-C189 WeakPolarHBondContact O-CA 3.34Å; I106-C189 VanDerWaalsContact O-CB 3.27Å; I106-C189 WeakPolarHBondContact O-CB 3.16Å; I106-C189 PolarHBondContact O-N 3.4Å; L110-C189 VanDerWaalsContact CD1-SG 3.59Å; V149-C189 HydrophobicContact CG1-CB 4.21Å; F159-C189 HydrophobicContact CD1-CB 4.28Å; F159-C189 HydrophobicContact CE1-CB 3.89Å; I167-C189 HydrophobicContact CG2-CB 3.73Å; Q169-C189 PolarHBondContact NE2-SG 3.35Å; Q169-C189 VanDerWaalsContact NE2-SG 3.43Å; R187-C189 PolarHBondContact O-N 2.92Å
190	C	98.7	Very high	98	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.177	C	C	.	.			trans	-145.3	157.7	-170.2	68.9	0	0	0	0	114.6	G104 S160 Y168 R170 T195	G104-C190 WeakPolarHBondContact O-CB 3.33Å; S160-C190 PolarHBondContact N-O 2.82Å; Y168-C190 WeakPolarHBondContact CD1-SG 3.48Å; Y168-C190 PolarHBondContact O-N 3.06Å; R170-C190 PolarHBondContact NE-SG 3.46Å; R170-C190 PolarHBondContact NH2-SG 2.83Å; C190-T195 WeakPolarHBondContact CA-OG1 3.42Å
191	V	98.8	Very high	98.2	Very high	18 Å²	18	33.8 Å²	33.8	11%	0.109	18%	0.176	C	C	.	.	S	Bend	trans	-114.1	83.9	167.4	-176.5	0	0	0	0	107	M157 P158 F159 D193 R194 T195 S198	M157-V191 HydrophobicContact CE-CG2 3.71Å; M157-V191 HydrophobicContact CG-CG2 4.34Å; P158-V191 HydrophobicContact CG-CG1 4.33Å; P158-V191 WeakPolarHBondContact O-CG1 3.49Å; F159-V191 HydrophobicContact CD1-CG2 4.1Å; F159-V191 HydrophobicContact CG-CG2 4.47Å; V191-D193 PolarHBondContact O-N 3.22Å; V191-D193 VanDerWaalsContact O-N 3.16Å; V191-R194 PolarHBondContact O-N 2.83Å; V191-T195 PolarHBondContact N-OG1 3.04Å; V191-S198 WeakPolarHBondContact CG1-OG 3.44Å
192	A	98.3	Very high	98.3	Very high	13 Å²	13	25.8 Å²	25.8	11%	0.107	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	44	-124.7	-163.4	0	0	0	0	0	109.6	S160 R170 R378 P380	S160-A192 PolarHBondContact OG-N 3.04Å; R170-A192 VanDerWaalsContact NH2-C 3.27Å; R170-A192 PolarHBondContact NH2-O 2.82Å; A192-R378 CarbonylContact C-O 3.54Å; A192-P380 HydrophobicContact CB-CG 4.02Å
193	D	97.9	Very high	98.5	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.011	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	29.2	173.5	62	-12.4	0	0	0	113	Q103 V191 T307 R378 L379 P380 G381 I382	Q103-D193 WeakPolarHBondContact CA-O 3.21Å; Q103-D193 WeakPolarHBondContact CB-O 3.35Å; Q103-D193 WeakPolarHBondContact CG-O 3.37Å; Q103-D193 CarbonylContact O-C 3.58Å; V191-D193 PolarHBondContact O-N 3.22Å; V191-D193 VanDerWaalsContact O-N 3.16Å; D193-T307 HydrophobicContact CB-CG2 4.19Å; D193-R378 PolarHBondContact N-O 2.85Å; D193-L379 HydrophobicContact CB-CD2 4.37Å; D193-L379 VanDerWaalsContact OD2-CA 3.31Å; D193-L379 WeakPolarHBondContact OD2-CA 3.45Å; D193-P380 VanDerWaalsContact OD1-CD 3.25Å; D193-P380 WeakPolarHBondContact OD1-CD 3.42Å; D193-P380 WeakPolarHBondContact OD1-CG 3.26Å; D193-G381 WeakPolarHBondContact OD1-CA 3.49Å; D193-G381 PolarHBondContact OD1-N 2.79Å; D193-G381 VanDerWaalsContact OD2-CA 3.27Å; D193-G381 WeakPolarHBondContact OD2-CA 3.24Å; D193-G381 PolarHBondContact OD2-N 3.15Å; D193-I382 PolarHBondContact OD2-N 3.01Å
194	R	98.4	Very high	98.6	Very high	109 Å²	109	24.4 Å²	24.4	41%	0.411	11%	0.114	S	C	.	.			trans	-126.6	33.1	179.1	-59.2	-170.7	179.6	95.3	-3.6	112.2	V191 G196 H197 S198 P380 G381	V191-R194 PolarHBondContact O-N 2.83Å; R194-G196 VanDerWaalsContact C-N 3.33Å; R194-G196 PolarHBondContact O-N 3.13Å; R194-H197 HydrophobicContact CB-CB 4.31Å; R194-H197 WeakPolarHBondContact O-CB 3.42Å; R194-H197 PolarHBondContact O-N 3.4Å; R194-S198 PolarHBondContact O-N 2.97Å; R194-S198 VanDerWaalsContact O-N 3.14Å; R194-P380 VanDerWaalsContact NH1-CG 3.32Å; R194-G381 VanDerWaalsContact NH2-CA 3.34Å
195	T	98.8	Very high	98.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.9	-40.3	-171.7	-50.4	0	0	0	0	112.8	Q103 I106 M157 C190 V191 S198 L199 L458	Q103-T195 WeakPolarHBondContact O-CB 3.41Å; Q103-T195 PolarHBondContact O-N 3.36Å; Q103-T195 PolarHBondContact O-OG1 3.35Å; I106-T195 HydrophobicContact CG2-CG2 4.42Å; M157-T195 HydrophobicContact CE-CG2 3.52Å; M157-T195 WeakPolarHBondContact CE-O 3.34Å; C190-T195 WeakPolarHBondContact CA-OG1 3.42Å; V191-T195 PolarHBondContact N-OG1 3.04Å; T195-S198 PolarHBondContact O-N 2.91Å; T195-L199 VanDerWaalsContact O-CB 3.25Å; T195-L199 WeakPolarHBondContact O-CB 3.46Å; T195-L199 PolarHBondContact O-N 2.85Å; T195-L458 HydrophobicContact CG2-CD1 4.15Å
196	G	98.5	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.4	-41.8	177.1	0	0	0	0	0	113.7	T99 A102 R194 L199 L200	T99-G196 CarbonylContact O-C 3.6Å; T99-G196 WeakPolarHBondContact O-CA 3.23Å; A102-G196 VanDerWaalsContact O-CA 3.22Å; A102-G196 WeakPolarHBondContact O-CA 3.4Å; A102-G196 PolarHBondContact O-N 2.73Å; R194-G196 VanDerWaalsContact C-N 3.33Å; R194-G196 PolarHBondContact O-N 3.13Å; G196-L199 PolarHBondContact O-N 2.86Å; G196-L200 WeakPolarHBondContact O-CB 3.4Å; G196-L200 PolarHBondContact O-N 3.01Å
197	H	98.7	Very high	98.6	Very high	82 Å²	82	22.9 Å²	22.9	38%	0.38	12%	0.115	S	C	.	.	H	α-helix	trans	-56.9	-54.9	173.9	172.7	81.7	0	0	0	110.6	V100 R194 L199 L200 H201	V100-H197 HydrophobicContact CG2-CB 4.2Å; V100-H197 WeakPolarHBondContact O-CA 3.5Å; V100-H197 PolarHBondContact O-N 2.99Å; V100-H197 VanDerWaalsContact O-N 3.11Å; R194-H197 HydrophobicContact CB-CB 4.31Å; R194-H197 WeakPolarHBondContact O-CB 3.42Å; R194-H197 PolarHBondContact O-N 3.4Å; H197-L199 PolarHBondContact O-N 2.89Å; H197-L200 PolarHBondContact O-N 3Å; H197-H201 AromaticContact CE1-CD2 3.3Å; H197-H201 PolarHBondContact CE1-CD2 2.86Å; H197-H201 AromaticContact CE1-NE2 3.29Å; H197-H201 PolarHBondContact CE1-NE2 2.58Å; H197-H201 VanDerWaalsContact CE1-NE2 3.29Å; H197-H201 AromaticContact ND1-CD2 3.48Å; H197-H201 PolarHBondContact ND1-CD2 2.99Å; H197-H201 AromaticContact ND1-NE2 3.63Å; H197-H201 AromaticContact NE2-CD2 3.77Å; H197-H201 PolarHBondContact O-CD2 3.3Å; H197-H201 VanDerWaalsContact O-CD2 3.27Å; H197-H201 PolarHBondContact O-N 2.75Å
198	S	98.8	Very high	98.6	Very high	14 Å²	14	28 Å²	28	10%	0.098	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-41.2	-179.8	-65.5	0	0	0	0	112.8	V191 R194 T195 T202	V191-S198 WeakPolarHBondContact CG1-OG 3.44Å; R194-S198 PolarHBondContact O-N 2.97Å; R194-S198 VanDerWaalsContact O-N 3.14Å; T195-S198 PolarHBondContact O-N 2.91Å; S198-T202 VanDerWaalsContact O-CB 3.28Å; S198-T202 WeakPolarHBondContact O-CB 3.33Å; S198-T202 PolarHBondContact O-N 3.17Å; S198-T202 PolarHBondContact O-OG1 3.26Å
199	L	98.8	Very high	98.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.5	-50.5	177.1	-178	150.2	0	0	0	110.9	T99 I106 L152 M157 T195 G196 H197 T202 L203 L458 V462	T99-L199 HydrophobicContact CG2-CD2 3.9Å; I106-L199 HydrophobicContact CD1-CD1 4.41Å; L152-L199 HydrophobicContact CD1-CD1 3.88Å; L152-L199 HydrophobicContact CD1-CG 4.44Å; M157-L199 HydrophobicContact CE-CB 3.75Å; M157-L199 HydrophobicContact SD-CB 3.98Å; M157-L199 HydrophobicContact SD-CG 4.42Å; T195-L199 VanDerWaalsContact O-CB 3.25Å; T195-L199 WeakPolarHBondContact O-CB 3.46Å; T195-L199 PolarHBondContact O-N 2.85Å; G196-L199 PolarHBondContact O-N 2.86Å; H197-L199 PolarHBondContact O-N 2.89Å; L199-T202 PolarHBondContact O-N 2.91Å; L199-L203 HydrophobicContact CD2-CD1 3.55Å; L199-L203 HydrophobicContact CD2-CG 4.32Å; L199-L203 HydrophobicContact CG-CD1 4.28Å; L199-L203 WeakPolarHBondContact O-CG 3.08Å; L199-L203 PolarHBondContact O-N 3.12Å; L199-L458 HydrophobicContact CD1-CB 4.23Å; L199-L458 HydrophobicContact CD1-CD1 4.29Å; L199-L458 HydrophobicContact CD1-CD2 4.47Å; L199-V462 HydrophobicContact CD1-CG1 4.34Å
200	L	98.8	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.6	-41.9	-175.8	-171.2	66.3	0	0	0	111.9	L73 T99 V100 G196 H197 L203 Y204	L73-L200 HydrophobicContact CD1-CD1 3.74Å; T99-L200 HydrophobicContact CG2-CB 4.24Å; T99-L200 HydrophobicContact CG2-CD1 4.27Å; V100-L200 HydrophobicContact CB-CD2 3.67Å; V100-L200 HydrophobicContact CG2-CD2 4.29Å; G196-L200 WeakPolarHBondContact O-CB 3.4Å; G196-L200 PolarHBondContact O-N 3.01Å; H197-L200 PolarHBondContact O-N 3Å; L200-L203 PolarHBondContact O-N 2.68Å; L200-Y204 VanDerWaalsContact O-CB 3.31Å; L200-Y204 WeakPolarHBondContact O-CB 3.38Å; L200-Y204 PolarHBondContact O-N 3.33Å
201	H	98.8	Very high	98.4	Very high	81 Å²	81	42.7 Å²	42.7	38%	0.375	20%	0.203	S	C	.	.	H	α-helix	trans	-65.9	-36.9	175.4	-83.9	-83.5	0	0	0	112.5	H197 G205	H197-H201 AromaticContact CE1-CD2 3.3Å; H197-H201 PolarHBondContact CE1-CD2 2.86Å; H197-H201 AromaticContact CE1-NE2 3.29Å; H197-H201 PolarHBondContact CE1-NE2 2.58Å; H197-H201 VanDerWaalsContact CE1-NE2 3.29Å; H197-H201 AromaticContact ND1-CD2 3.48Å; H197-H201 PolarHBondContact ND1-CD2 2.99Å; H197-H201 AromaticContact ND1-NE2 3.63Å; H197-H201 AromaticContact NE2-CD2 3.77Å; H197-H201 PolarHBondContact O-CD2 3.3Å; H197-H201 VanDerWaalsContact O-CD2 3.27Å; H197-H201 PolarHBondContact O-N 2.75Å; H201-G205 PolarHBondContact O-N 3.34Å
202	T	98.8	Very high	98.4	Very high	19 Å²	19	42.2 Å²	42.2	12%	0.117	20%	0.2	C	C	.	.	H	α-helix	trans	-65.3	-48.1	175.7	-57.2	0	0	0	0	111	F155 M157 S198 L199 Y204 G205 R206	F155-T202 HydrophobicContact CB-CG2 3.68Å; M157-T202 HydrophobicContact CB-CG2 4.07Å; S198-T202 VanDerWaalsContact O-CB 3.28Å; S198-T202 WeakPolarHBondContact O-CB 3.33Å; S198-T202 PolarHBondContact O-N 3.17Å; S198-T202 PolarHBondContact O-OG1 3.26Å; L199-T202 PolarHBondContact O-N 2.91Å; T202-Y204 PolarHBondContact O-N 3.21Å; T202-G205 PolarHBondContact O-N 2.9Å; T202-R206 WeakPolarHBondContact O-CB 3.48Å; T202-R206 PolarHBondContact O-N 2.69Å
203	L	98.8	Very high	98.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-40.1	177.8	-69.1	178.6	0	0	0	112	G70 L73 F77 L152 F155 L199 L200 R206 S207 V462	G70-L203 WeakPolarHBondContact O-CD1 3.27Å; L73-L203 HydrophobicContact CB-CB 4.2Å; L73-L203 HydrophobicContact CD1-CB 4.13Å; F77-L203 HydrophobicContact CE1-CB 4.46Å; F77-L203 HydrophobicContact CE1-CD2 3.82Å; F77-L203 HydrophobicContact CZ-CD2 3.89Å; L152-L203 HydrophobicContact CD2-CD2 3.7Å; L152-L203 HydrophobicContact CD2-CG 4.21Å; F155-L203 HydrophobicContact CD2-CD2 4.47Å; L199-L203 HydrophobicContact CD2-CD1 3.55Å; L199-L203 HydrophobicContact CD2-CG 4.32Å; L199-L203 HydrophobicContact CG-CD1 4.28Å; L199-L203 WeakPolarHBondContact O-CG 3.08Å; L199-L203 PolarHBondContact O-N 3.12Å; L200-L203 PolarHBondContact O-N 2.68Å; L203-R206 PolarHBondContact O-N 2.79Å; L203-S207 WeakPolarHBondContact O-CB 3.42Å; L203-S207 PolarHBondContact O-N 3.5Å; L203-V462 HydrophobicContact CD1-CG1 4.26Å
204	Y	98.8	Very high	98.4	Very high	49 Å²	49	44.5 Å²	44.5	19%	0.192	21%	0.208	C	C	.	.	H	α-helix	trans	-63.9	-47.7	174.9	-179.4	-111.5	0	0	0	111.4	F93 P94 T95 L200 T202 R206 S207 L208	F93-Y204 HydrophobicContact CE1-CE1 4.38Å; F93-Y204 AromaticContact CE2-CZ 3.95Å; F93-Y204 WeakPolarHBondContact CE2-OH 3.3Å; F93-Y204 AromaticContact CZ-CE1 3.75Å; F93-Y204 HydrophobicContact CZ-CE1 3.75Å; F93-Y204 HydrophobicContact CZ-CE2 4.31Å; F93-Y204 AromaticContact CZ-CZ 3.53Å; F93-Y204 VanDerWaalsContact CZ-OH 3.27Å; F93-Y204 WeakPolarHBondContact CZ-OH 3.29Å; P94-Y204 HydrophobicContact CB-CD2 3.7Å; P94-Y204 HydrophobicContact CB-CE2 4.03Å; P94-Y204 HydrophobicContact CG-CD2 3.99Å; P94-Y204 HydrophobicContact CG-CE2 3.83Å; T95-Y204 HydrophobicContact CG2-CD1 3.75Å; T95-Y204 HydrophobicContact CG2-CE1 4.47Å; T95-Y204 HydrophobicContact CG2-CG 3.84Å; L200-Y204 VanDerWaalsContact O-CB 3.31Å; L200-Y204 WeakPolarHBondContact O-CB 3.38Å; L200-Y204 PolarHBondContact O-N 3.33Å; T202-Y204 PolarHBondContact O-N 3.21Å; Y204-R206 VanDerWaalsContact C-N 3.27Å; Y204-R206 PolarHBondContact O-N 3.12Å; Y204-S207 PolarHBondContact O-N 2.93Å; Y204-S207 PolarHBondContact O-OG 3.47Å; Y204-L208 HydrophobicContact CE1-CD1 4.17Å; Y204-L208 HydrophobicContact CE2-CD2 4.33Å; Y204-L208 WeakPolarHBondContact O-CG 3.39Å; Y204-L208 PolarHBondContact O-N 3.14Å
205	G	98.6	Very high	98.4	Very high	40 Å²	40	39.6 Å²	39.6	41%	0.412	19%	0.189	S	C	.	.	H	α-helix	trans	-59.5	-37.8	175.4	0	0	0	0	0	112.8	H201 T202	H201-G205 PolarHBondContact O-N 3.34Å; T202-G205 PolarHBondContact O-N 2.9Å
206	R	98.5	Very high	98.4	Very high	54 Å²	54	41.8 Å²	41.8	20%	0.204	20%	0.202	C	C	.	.	H	α-helix	trans	-66.6	-42.7	175.5	-177.9	62	-174.6	-164.6	3.7	112	F77 F155 T202 L203 Y204 L208 R209 Y210	F77-R206 HydrophobicContact CE2-CG 4.37Å; F77-R206 HydrophobicContact CZ-CG 4.29Å; F155-R206 HydrophobicContact CD1-CG 4.25Å; F155-R206 HydrophobicContact CD2-CB 4.46Å; F155-R206 HydrophobicContact CD2-CG 4.05Å; F155-R206 HydrophobicContact CE1-CG 4.31Å; F155-R206 HydrophobicContact CE2-CG 4.11Å; F155-R206 HydrophobicContact CG-CG 4.12Å; F155-R206 HydrophobicContact CZ-CG 4.23Å; T202-R206 WeakPolarHBondContact O-CB 3.48Å; T202-R206 PolarHBondContact O-N 2.69Å; L203-R206 PolarHBondContact O-N 2.79Å; Y204-R206 VanDerWaalsContact C-N 3.27Å; Y204-R206 PolarHBondContact O-N 3.12Å; R206-L208 PolarHBondContact O-N 3.4Å; R206-R209 WeakPolarHBondContact O-CB 3.3Å; R206-R209 WeakPolarHBondContact O-CG 3.28Å; R206-R209 PolarHBondContact O-N 3.4Å; R206-R209 VanDerWaalsContact O-N 3.09Å; R206-Y210 HydrophobicContact CG-CE2 4.27Å; R206-Y210 PolarHBondContact NE-OH 3.36Å; R206-Y210 PolarHBondContact NH2-OH 2.93Å
207	S	98.2	Very high	98.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-29.2	-176.3	80.7	0	0	0	0	113.1	L203 Y204 R209 Y210 Y214	L203-S207 WeakPolarHBondContact O-CB 3.42Å; L203-S207 PolarHBondContact O-N 3.5Å; Y204-S207 PolarHBondContact O-N 2.93Å; Y204-S207 PolarHBondContact O-OG 3.47Å; S207-R209 PolarHBondContact O-N 3.12Å; S207-Y210 PolarHBondContact O-N 2.82Å; S207-Y210 VanDerWaalsContact O-N 3.09Å; S207-Y214 WeakPolarHBondContact CB-OH 3.32Å; S207-Y214 PolarHBondContact OG-OH 2.95Å
208	L	98	Very high	98.4	Very high	106 Å²	106	41.5 Å²	41.5	56%	0.555	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-11.5	174.5	-62.6	177.3	0	0	0	114.1	Y204 R206	Y204-L208 HydrophobicContact CE1-CD1 4.17Å; Y204-L208 HydrophobicContact CE2-CD2 4.33Å; Y204-L208 WeakPolarHBondContact O-CG 3.39Å; Y204-L208 PolarHBondContact O-N 3.14Å; R206-L208 PolarHBondContact O-N 3.4Å
209	R	98.1	Very high	98.4	Very high	191 Å²	191	41 Å²	41	72%	0.721	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-11.2	176.2	-57.6	-172.1	70.7	166.9	0.5	113.6	R206 S207	R206-R209 WeakPolarHBondContact O-CB 3.3Å; R206-R209 WeakPolarHBondContact O-CG 3.28Å; R206-R209 PolarHBondContact O-N 3.4Å; R206-R209 VanDerWaalsContact O-N 3.09Å; S207-R209 PolarHBondContact O-N 3.12Å
210	Y	98.1	Very high	98.4	Very high	42 Å²	42	41.4 Å²	41.4	17%	0.165	20%	0.201	C	C	.	.	S	Bend	trans	-110.9	171	-178.1	-57.6	-91.9	0	0	0	110.7	F77 E81 R206 S207 T212	F77-Y210 HydrophobicContact CB-CD2 3.82Å; F77-Y210 HydrophobicContact CB-CE2 4.23Å; F77-Y210 HydrophobicContact CB-CG 4.3Å; F77-Y210 HydrophobicContact CD2-CD2 4.47Å; F77-Y210 HydrophobicContact CD2-CE2 4.02Å; F77-Y210 HydrophobicContact CG-CD2 4.39Å; F77-Y210 HydrophobicContact CG-CE2 4.35Å; E81-Y210 HydrophobicContact CB-CD1 4.09Å; E81-Y210 HydrophobicContact CB-CE1 3.53Å; E81-Y210 HydrophobicContact CG-CE1 3.88Å; E81-Y210 PolarHBondContact OE1-OH 3.02Å; R206-Y210 HydrophobicContact CG-CE2 4.27Å; R206-Y210 PolarHBondContact NE-OH 3.36Å; R206-Y210 PolarHBondContact NH2-OH 2.93Å; S207-Y210 PolarHBondContact O-N 2.82Å; S207-Y210 VanDerWaalsContact O-N 3.09Å; Y210-T212 VanDerWaalsContact C-N 3.31Å; Y210-T212 PolarHBondContact O-N 3.15Å
211	D	96.5	Very high	98.4	Very high	77 Å²	77	41.7 Å²	41.7	41%	0.412	20%	0.202	S	C	.	.			trans	-92.5	17.6	-177.3	72	-34.1	0	0	0	113.9	K41 S213	K41-D211 IonicContact NZ-OD2 3.88Å; D211-S213 PolarHBondContact O-N 3.2Å
212	T	97.9	Very high	98.4	Very high	8 Å²	8	39 Å²	39	5%	0.049	19%	0.19	C	C	.	.			trans	-49.8	128.8	172.7	-45.5	0	0	0	0	110.8	A76 S80 C88 Y210 Y214	A76-T212 HydrophobicContact CB-CG2 3.98Å; S80-T212 WeakPolarHBondContact CB-OG1 3.42Å; S80-T212 PolarHBondContact OG-OG1 3.06Å; C88-T212 HydrophobicContact CB-CG2 4.08Å; Y210-T212 VanDerWaalsContact C-N 3.31Å; Y210-T212 PolarHBondContact O-N 3.15Å; T212-Y214 HydrophobicContact CG2-CD2 4.33Å; T212-Y214 HydrophobicContact CG2-CE2 3.82Å; T212-Y214 WeakPolarHBondContact O-CD2 3.27Å
213	S	98.6	Very high	98.4	Very high	8 Å²	8	38.8 Å²	38.8	6%	0.056	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	111.4	178.1	-67.5	0	0	0	0	110	T86 A87 C88 D211	T86-S213 PolarHBondContact O-N 3.17Å; A87-S213 CarbonylContact C-O 3.22Å; A87-S213 VanDerWaalsContact CA-O 3.31Å; A87-S213 WeakPolarHBondContact CA-O 3.49Å; C88-S213 PolarHBondContact N-O 3.42Å; D211-S213 PolarHBondContact O-N 3.2Å
214	Y	98.6	Very high	98.4	Very high	54 Å²	54	39.1 Å²	39.1	21%	0.212	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131.9	179.1	-74.6	-92.2	0	0	0	111.4	L73 C88 P94 S207 T212	L73-Y214 HydrophobicContact CD2-CE1 3.82Å; L73-Y214 WeakPolarHBondContact CD2-OH 3.46Å; C88-Y214 HydrophobicContact CB-CD1 3.8Å; C88-Y214 HydrophobicContact CB-CE1 3.77Å; C88-Y214 HydrophobicContact CB-CG 4.43Å; P94-Y214 HydrophobicContact CG-CD1 4.36Å; P94-Y214 HydrophobicContact CG-CE1 4.38Å; S207-Y214 WeakPolarHBondContact CB-OH 3.32Å; S207-Y214 PolarHBondContact OG-OH 2.95Å; T212-Y214 HydrophobicContact CG2-CD2 4.33Å; T212-Y214 HydrophobicContact CG2-CE2 3.82Å; T212-Y214 WeakPolarHBondContact O-CD2 3.27Å
215	F	98.7	Very high	98.2	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	89.5	170.7	-65.1	-92.3	0	0	0	106.7	H59 F61 A87 C88 V89 T90 Y218 F246	H59-F215 AromaticContact CE1-CE1 3.99Å; F61-F215 AromaticContact CE2-CE2 3.88Å; F61-F215 HydrophobicContact CE2-CE2 3.88Å; F61-F215 HydrophobicContact CE2-CZ 4.02Å; F61-F215 AromaticContact CZ-CE2 3.76Å; F61-F215 HydrophobicContact CZ-CE2 3.76Å; F61-F215 AromaticContact CZ-CZ 3.98Å; F61-F215 HydrophobicContact CZ-CZ 3.98Å; A87-F215 HydrophobicContact CB-CD2 4.12Å; A87-F215 HydrophobicContact CB-CE2 3.93Å; C88-F215 PolarHBondContact O-N 3.15Å; V89-F215 HydrophobicContact CG2-CB 4.3Å; T90-F215 PolarHBondContact N-O 3.06Å; F215-Y218 HydrophobicContact CB-CD1 4.39Å; F215-Y218 HydrophobicContact CB-CD2 3.73Å; F215-Y218 HydrophobicContact CB-CE2 4.08Å; F215-Y218 HydrophobicContact CB-CG 3.9Å; F215-Y218 HydrophobicContact CD1-CE1 4.35Å; F215-Y218 HydrophobicContact CD1-CE2 4.22Å; F215-F246 HydrophobicContact CB-CE1 4.48Å; F215-F246 HydrophobicContact CB-CZ 4.15Å; F215-F246 AromaticContact CD1-CE1 3.71Å; F215-F246 HydrophobicContact CD1-CE1 3.71Å; F215-F246 AromaticContact CD1-CZ 3.67Å; F215-F246 HydrophobicContact CD1-CZ 3.67Å; F215-F246 AromaticContact CD2-CE1 3.59Å; F215-F246 HydrophobicContact CD2-CE1 3.59Å; F215-F246 HydrophobicContact CD2-CZ 4.11Å; F215-F246 AromaticContact CE1-CE1 3.71Å; F215-F246 HydrophobicContact CE1-CE1 3.71Å; F215-F246 HydrophobicContact CE1-CZ 4.04Å; F215-F246 HydrophobicContact CE2-CD1 4.37Å; F215-F246 AromaticContact CE2-CE1 3.59Å; F215-F246 HydrophobicContact CE2-CE1 3.59Å; F215-F246 HydrophobicContact CE2-CZ 4.46Å; F215-F246 AromaticContact CG-CE1 3.65Å; F215-F246 HydrophobicContact CG-CE1 3.65Å; F215-F246 AromaticContact CG-CZ 3.7Å; F215-F246 HydrophobicContact CG-CZ 3.7Å; F215-F246 AromaticContact CZ-CE1 3.65Å; F215-F246 HydrophobicContact CZ-CE1 3.65Å; F215-F246 HydrophobicContact CZ-CZ 4.43Å
216	V	98.7	Very high	97.8	Very high	45 Å²	45	39 Å²	39	27%	0.273	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	138.4	-173.3	179.9	0	0	0	0	109.9	T90 F93 Y218	T90-V216 HydrophobicContact CG2-CG2 4.34Å; T90-V216 CarbonylContact O-C 3.55Å; F93-V216 HydrophobicContact CB-CG1 4.27Å; F93-V216 HydrophobicContact CD2-CG1 4.21Å; V216-Y218 VanDerWaalsContact C-N 3.27Å; V216-Y218 WeakPolarHBondContact O-CD2 3.24Å
217	E	98.6	Very high	97.3	Very high	63 Å²	63	43.4 Å²	43.4	29%	0.294	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	39.7	-174.6	-67.3	164.8	161.2	0	0	111.8	T90 M238 W559	T90-E217 WeakPolarHBondContact O-CA 3.39Å; T90-E217 PolarHBondContact O-N 3.07Å; E217-M238 VanDerWaalsContact O-CB 3.23Å; E217-M238 WeakPolarHBondContact O-CB 3.36Å; E217-M238 VanDerWaalsContact O-CG 3.29Å; E217-M238 WeakPolarHBondContact O-CG 3.27Å; E217-M238 PolarHBondContact O-N 3.44Å; E217-W559 VanDerWaalsContact CD-CH2 3.47Å; E217-W559 HydrophobicContact CG-CH2 4.2Å; E217-W559 HydrophobicContact CG-CZ2 4.42Å; E217-W559 WeakPolarHBondContact OE1-CH2 3.44Å; E217-W559 WeakPolarHBondContact OE2-CZ2 3.31Å
218	Y	98.8	Very high	96.7	Very high	14 Å²	14	45.6 Å²	45.6	6%	0.055	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.4	168.1	-82.2	-109.6	0	0	0	110	T90 K91 F215 V216 A235 L236 C237 H244 F246	T90-Y218 CarbonylContact C-O 3.42Å; T90-Y218 PolarHBondContact O-N 2.85Å; K91-Y218 WeakPolarHBondContact CA-O 3.12Å; K91-Y218 PolarHBondContact N-O 3.38Å; K91-Y218 VanDerWaalsContact N-O 3.15Å; F215-Y218 HydrophobicContact CB-CD1 4.39Å; F215-Y218 HydrophobicContact CB-CD2 3.73Å; F215-Y218 HydrophobicContact CB-CE2 4.08Å; F215-Y218 HydrophobicContact CB-CG 3.9Å; F215-Y218 HydrophobicContact CD1-CE1 4.35Å; F215-Y218 HydrophobicContact CD1-CE2 4.22Å; V216-Y218 VanDerWaalsContact C-N 3.27Å; V216-Y218 WeakPolarHBondContact O-CD2 3.24Å; Y218-A235 HydrophobicContact CD1-CB 4.41Å; Y218-L236 CarbonylContact C-O 3.52Å; Y218-L236 VanDerWaalsContact CA-O 3.3Å; Y218-L236 WeakPolarHBondContact CA-O 3.45Å; Y218-C237 HydrophobicContact CD1-CB 4.04Å; Y218-C237 HydrophobicContact CE1-CB 3.45Å; Y218-C237 VanDerWaalsContact CE1-CB 3.45Å; Y218-C237 HydrophobicContact CE2-CB 4.15Å; Y218-C237 PolarHBondContact OH-SG 3.05Å; Y218-H244 HydrophobicContact CD1-CB 4.47Å; Y218-H244 HydrophobicContact CE1-CB 4.14Å; Y218-H244 AromaticContact CE1-CD2 3.61Å; Y218-H244 AromaticContact CE1-CE1 3.59Å; Y218-H244 AromaticContact CE1-CG 3.54Å; Y218-H244 AromaticContact CE1-ND1 3.49Å; Y218-H244 WeakPolarHBondContact CE1-ND1 3.45Å; Y218-H244 AromaticContact CE1-NE2 3.63Å; Y218-H244 AromaticContact CZ-CE1 3.78Å; Y218-H244 AromaticContact CZ-NE2 3.92Å; Y218-H244 PolarHBondContact OH-CE1 3.41Å; Y218-H244 PolarHBondContact OH-NE2 2.84Å; Y218-F246 HydrophobicContact CD1-CE2 4.28Å; Y218-F246 HydrophobicContact CD1-CZ 4.18Å; Y218-F246 HydrophobicContact CE1-CZ 4.32Å
219	F	98.9	Very high	96.4	Very high	2 Å²	2	44 Å²	44	1%	0.009	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	108.1	179.2	-170.7	-85.6	0	0	0	110.2	K91 L221 A235 L236 M238 V564 L567 E568	K91-F219 HydrophobicContact CB-CD2 4.07Å; K91-F219 HydrophobicContact CD-CD2 3.82Å; K91-F219 HydrophobicContact CD-CE2 3.91Å; F219-L221 HydrophobicContact CD1-CD2 3.76Å; F219-L221 HydrophobicContact CE1-CD2 4.09Å; F219-L221 PolarHBondContact O-N 3.47Å; F219-A235 CarbonylContact O-C 3.54Å; F219-A235 WeakPolarHBondContact O-CA 3.37Å; F219-A235 WeakPolarHBondContact O-CB 3.27Å; F219-L236 HydrophobicContact CB-CB 4.49Å; F219-L236 PolarHBondContact N-O 2.93Å; F219-L236 PolarHBondContact O-N 2.94Å; F219-M238 HydrophobicContact CB-CG 4.47Å; F219-M238 HydrophobicContact CB-SD 4.39Å; F219-V564 HydrophobicContact CD2-CG1 3.67Å; F219-V564 HydrophobicContact CE2-CG1 3.86Å; F219-V564 HydrophobicContact CG-CG1 4.36Å; F219-L567 HydrophobicContact CD1-CD1 4.3Å; F219-L567 HydrophobicContact CE1-CB 3.87Å; F219-L567 HydrophobicContact CE1-CD1 4.16Å; F219-L567 HydrophobicContact CZ-CB 4.04Å; F219-E568 HydrophobicContact CE2-CG 3.67Å; F219-E568 HydrophobicContact CZ-CG 3.92Å
220	A	98.8	Very high	96.3	Very high	10 Å²	10	35 Å²	35	8%	0.083	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	127.7	176	0	0	0	0	0	110.7	V66 M278	V66-A220 HydrophobicContact CG1-CB 3.56Å; A220-M278 HydrophobicContact CB-CE 4.11Å; A220-M278 HydrophobicContact CB-SD 3.95Å
221	L	98.8	Very high	96.2	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-53.3	-174.8	-59.2	169.8	0	0	0	111.3	F219 I234 M278 R281 L497 L567	F219-L221 HydrophobicContact CD1-CD2 3.76Å; F219-L221 HydrophobicContact CE1-CD2 4.09Å; F219-L221 PolarHBondContact O-N 3.47Å; L221-I234 HydrophobicContact CB-CG2 4.28Å; L221-I234 PolarHBondContact N-O 2.62Å; L221-M278 VanDerWaalsContact O-CG 3.3Å; L221-M278 WeakPolarHBondContact O-CG 3.42Å; L221-R281 PolarHBondContact O-NH2 2.91Å; L221-L497 HydrophobicContact CD1-CD1 3.99Å; L221-L497 HydrophobicContact CD2-CD1 4.29Å; L221-L567 HydrophobicContact CD2-CD1 3.8Å; L221-L567 HydrophobicContact CD2-CD2 4.28Å
222	D	98.7	Very high	96.3	Very high	24 Å²	24	30.6 Å²	30.6	13%	0.128	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	162.4	-175.1	-75.4	-59.6	0	0	0	113.1	V233 I234 R281 S493	D222-V233 WeakPolarHBondContact O-CA 3.2Å; D222-I234 HydrophobicContact CB-CG2 4.1Å; D222-I234 PolarHBondContact O-N 2.86Å; D222-R281 IonicContact OD1-CZ 3Å; D222-R281 IonicContact OD1-NE 2.69Å; D222-R281 PolarHBondContact OD1-NE 2.82Å; D222-R281 IonicContact OD1-NH2 3.75Å; D222-R281 IonicContact OD2-NE 3.23Å; D222-S493 WeakPolarHBondContact CB-OG 3.38Å; D222-S493 WeakPolarHBondContact OD2-CB 3.41Å; D222-S493 PolarHBondContact OD2-OG 3.41Å
223	L	98.3	Very high	96.3	Very high	16 Å²	16	30.2 Å²	30.2	8%	0.084	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	142.3	169.4	-58.7	-178.7	0	0	0	111	M225 V233 T251 I253 M278 V279 A282 L436	L223-M225 HydrophobicContact CB-CG 4.03Å; L223-M225 HydrophobicContact CB-SD 4.04Å; L223-M225 HydrophobicContact CD1-SD 4.19Å; L223-M225 PolarHBondContact O-N 3.15Å; L223-V233 HydrophobicContact CD2-CG1 3.73Å; L223-T251 HydrophobicContact CD2-CG2 4.24Å; L223-I253 HydrophobicContact CD1-CD1 4.26Å; L223-I253 HydrophobicContact CD2-CD1 4.07Å; L223-M278 HydrophobicContact CG-CB 4.26Å; L223-V279 HydrophobicContact CD1-CG2 4.15Å; L223-A282 HydrophobicContact CD1-CB 4.29Å; L223-L436 HydrophobicContact CD1-CD1 4.21Å; L223-L436 HydrophobicContact CD1-CD2 3.73Å; L223-L436 HydrophobicContact CD2-CD1 4.49Å
224	L	97.7	Very high	96.3	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	84.5	172.8	-63.4	171.6	0	0	0	109.3	K231 G232 I234 R245 L485 A489	L224-K231 PolarHBondContact O-N 2.88Å; L224-G232 PolarHBondContact N-O 3.3Å; L224-I234 HydrophobicContact CD2-CB 4.27Å; L224-I234 HydrophobicContact CD2-CG2 4.38Å; L224-R245 HydrophobicContact CD1-CB 4.19Å; L224-L485 HydrophobicContact CB-CD1 4.23Å; L224-L485 HydrophobicContact CD1-CD2 3.88Å; L224-A489 HydrophobicContact CD2-CB 4.08Å
225	M	94.6	Very high	96.3	Very high	57 Å²	57	27.2 Å²	27.2	28%	0.281	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	134.5	-178.5	-60.8	-61.8	-59.2	0	0	112.2	L223 E229 C230 A282 L284 I433	L223-M225 HydrophobicContact CB-CG 4.03Å; L223-M225 HydrophobicContact CB-SD 4.04Å; L223-M225 HydrophobicContact CD1-SD 4.19Å; L223-M225 PolarHBondContact O-N 3.15Å; M225-E229 WeakPolarHBondContact CA-O 3.33Å; M225-C230 HydrophobicContact SD-CB 3.83Å; M225-A282 HydrophobicContact CG-CB 3.76Å; M225-A282 HydrophobicContact SD-CB 4.42Å; M225-L284 HydrophobicContact CE-CD1 3.87Å; M225-L284 HydrophobicContact SD-CD1 4.44Å; M225-I433 HydrophobicContact CE-CG2 4.24Å
226	E	91.4	Very high	96.3	Very high	30 Å²	30	27 Å²	27	14%	0.14	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	132.9	171.1	-173.2	168.4	-134	0	0	110.8	G228 E229 K231 K486	E226-G228 PolarHBondContact O-N 3.03Å; E226-G228 VanDerWaalsContact O-N 3.07Å; E226-E229 PolarHBondContact N-O 3.44Å; E226-E229 PolarHBondContact O-N 3.03Å; E226-K231 HydrophobicContact CB-CD 4.08Å; E226-K231 IonicContact OE2-NZ 3.56Å; E226-K231 PolarHBondContact OE2-NZ 2.81Å; E226-K486 VanDerWaalsContact OE1-CD 3.31Å; E226-K486 WeakPolarHBondContact OE1-CD 3.39Å; E226-K486 WeakPolarHBondContact OE1-CE 3.31Å; E226-K486 VanDerWaalsContact OE1-CG 3.3Å; E226-K486 WeakPolarHBondContact OE1-CG 3.21Å; E226-K486 IonicContact OE1-NZ 3.34Å
227	N	87.6	Confident	96.3	Very high	147 Å²	147	25 Å²	25	79%	0.786	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	27.8	-179.1	-56.6	-28	0	0	0	114.7
228	G	86.2	Confident	96.3	Very high	45 Å²	45	22.6 Å²	22.6	46%	0.464	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	9.1	-177.6	0	0	0	0	0	114.8	E226	E226-G228 PolarHBondContact O-N 3.03Å; E226-G228 VanDerWaalsContact O-N 3.07Å
229	E	92	Very high	96.2	Very high	72 Å²	72	27.3 Å²	27.3	34%	0.336	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	146.1	177.2	-53.4	-177.4	159.5	0	0	110.5	M225 E226 P434	M225-E229 WeakPolarHBondContact CA-O 3.33Å; E226-E229 PolarHBondContact N-O 3.44Å; E226-E229 PolarHBondContact O-N 3.03Å; E229-P434 HydrophobicContact CB-CB 4.37Å; E229-P434 HydrophobicContact CG-CB 3.97Å; E229-P434 HydrophobicContact CG-CG 4.09Å
230	C	95.4	Very high	96	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.027	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.7	171.3	-174.3	0	0	0	0	109.7	M225 P434 L436	M225-C230 HydrophobicContact SD-CB 3.83Å; C230-P434 PolarHBondContact N-O 2.8Å; C230-L436 HydrophobicContact CB-CB 3.78Å; C230-L436 HydrophobicContact CB-CD1 4.29Å; C230-L436 HydrophobicContact CB-CD2 4.32Å; C230-L436 HydrophobicContact CB-CG 4.36Å
231	K	96.4	Very high	95.9	Very high	25 Å²	25	29.4 Å²	29.4	11%	0.109	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	11.8	-178	-63.1	-172.4	174.4	-178.1	0	113.6	L224 E226 R247 A248 P484 L485	L224-K231 PolarHBondContact O-N 2.88Å; E226-K231 HydrophobicContact CB-CD 4.08Å; E226-K231 IonicContact OE2-NZ 3.56Å; E226-K231 PolarHBondContact OE2-NZ 2.81Å; K231-R247 WeakPolarHBondContact O-CA 3.19Å; K231-A248 CarbonylContact C-O 3.09Å; K231-A248 VanDerWaalsContact C-O 3.25Å; K231-A248 PolarHBondContact O-N 2.84Å; K231-P484 PolarHBondContact NZ-O 3.41Å; K231-L485 HydrophobicContact CB-CD1 4.29Å; K231-L485 HydrophobicContact CD-CD1 4.36Å
232	G	97.3	Very high	95.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134	-159.3	-178.2	0	0	0	0	0	114.2	L224 F246 T251	L224-G232 PolarHBondContact N-O 3.3Å; G232-F246 CarbonylContact C-O 3.52Å; G232-F246 WeakPolarHBondContact CA-O 3.48Å; G232-T251 WeakPolarHBondContact CA-OG1 3.5Å
233	V	98.6	Very high	95.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	154.3	-179.2	-59.7	0	0	0	0	112.3	V64 V66 D222 L223 F246 T251	V64-V233 HydrophobicContact CG1-CG2 4.42Å; V64-V233 HydrophobicContact CG2-CG2 4.06Å; V66-V233 HydrophobicContact CG2-CB 4.47Å; V66-V233 HydrophobicContact CG2-CG1 3.88Å; V66-V233 HydrophobicContact CG2-CG2 4.01Å; D222-V233 WeakPolarHBondContact O-CA 3.2Å; L223-V233 HydrophobicContact CD2-CG1 3.73Å; V233-F246 HydrophobicContact CG2-CB 4.03Å; V233-F246 HydrophobicContact CG2-CD2 4.18Å; V233-F246 HydrophobicContact CG2-CG 4.47Å; V233-F246 PolarHBondContact N-O 3.07Å; V233-F246 PolarHBondContact O-N 2.86Å; V233-T251 HydrophobicContact CG1-CG2 3.78Å
234	I	98.7	Very high	95.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.6	168.1	-176.2	168.3	0	0	0	109.7	L221 D222 L224 I243 H244 R245 V494	L221-I234 HydrophobicContact CB-CG2 4.28Å; L221-I234 PolarHBondContact N-O 2.62Å; D222-I234 HydrophobicContact CB-CG2 4.1Å; D222-I234 PolarHBondContact O-N 2.86Å; L224-I234 HydrophobicContact CD2-CB 4.27Å; L224-I234 HydrophobicContact CD2-CG2 4.38Å; I234-I243 HydrophobicContact CD1-CG2 3.67Å; I234-I243 HydrophobicContact CG1-CG2 3.78Å; I234-H244 CarbonylContact C-O 3.54Å; I234-H244 VanDerWaalsContact CA-O 3.3Å; I234-H244 WeakPolarHBondContact CA-O 3.44Å; I234-R245 HydrophobicContact CB-CG 4.35Å; I234-R245 HydrophobicContact CD1-CG 4.14Å; I234-R245 HydrophobicContact CG1-CG 4.13Å; I234-V494 HydrophobicContact CD1-CG2 4Å
235	A	98.8	Very high	95.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.1	-175.9	0	0	0	0	0	112.6	V89 Y218 F219 H244 F246	V89-A235 HydrophobicContact CG1-CB 4.34Å; Y218-A235 HydrophobicContact CD1-CB 4.41Å; F219-A235 CarbonylContact O-C 3.54Å; F219-A235 WeakPolarHBondContact O-CA 3.37Å; F219-A235 WeakPolarHBondContact O-CB 3.27Å; A235-H244 PolarHBondContact N-O 3.3Å; A235-H244 PolarHBondContact O-N 3.37Å; A235-F246 HydrophobicContact CB-CD2 4.46Å; A235-F246 HydrophobicContact CB-CE2 4.04Å
236	L	98.6	Very high	95.9	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.2	169.2	170.6	67.7	0	0	0	109.4	Y218 F219 M238 I243 L497 I557 V564	Y218-L236 CarbonylContact C-O 3.52Å; Y218-L236 VanDerWaalsContact CA-O 3.3Å; Y218-L236 WeakPolarHBondContact CA-O 3.45Å; F219-L236 HydrophobicContact CB-CB 4.49Å; F219-L236 PolarHBondContact N-O 2.93Å; F219-L236 PolarHBondContact O-N 2.94Å; L236-M238 PolarHBondContact O-N 3.35Å; L236-I243 HydrophobicContact CB-CD1 4.34Å; L236-I243 HydrophobicContact CD1-CD1 3.93Å; L236-L497 HydrophobicContact CB-CD1 4.23Å; L236-L497 HydrophobicContact CD1-CD1 4.23Å; L236-L497 HydrophobicContact CD2-CD1 4.09Å; L236-L497 HydrophobicContact CG-CD1 4.41Å; L236-I557 HydrophobicContact CD1-CD1 4.2Å; L236-I557 HydrophobicContact CD1-CG1 4.43Å; L236-V564 HydrophobicContact CD2-CG2 4.4Å
237	C	98.5	Very high	96.2	Very high	2 Å²	2	26 Å²	26	1%	0.014	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	115.8	163.9	-179.4	0	0	0	0	108.8	Y218 E239 D240 G241 S242	Y218-C237 HydrophobicContact CD1-CB 4.04Å; Y218-C237 HydrophobicContact CE1-CB 3.45Å; Y218-C237 VanDerWaalsContact CE1-CB 3.45Å; Y218-C237 HydrophobicContact CE2-CB 4.15Å; Y218-C237 PolarHBondContact OH-SG 3.05Å; C237-E239 VanDerWaalsContact C-N 3.29Å; C237-E239 PolarHBondContact O-N 2.95Å; C237-D240 WeakPolarHBondContact CB-OD1 3.09Å; C237-D240 PolarHBondContact SG-OD1 3.11Å; C237-G241 WeakPolarHBondContact O-CA 3.37Å; C237-G241 PolarHBondContact O-N 3.35Å; C237-S242 WeakPolarHBondContact CB-O 3.18Å; C237-S242 PolarHBondContact N-O 2.89Å
238	M	98.1	Very high	96.6	Very high	14 Å²	14	19.1 Å²	19.1	7%	0.069	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-24.8	-177.9	-63.5	172.9	50.8	0	0	112.4	E217 F219 L236 W559 V564	E217-M238 VanDerWaalsContact O-CB 3.23Å; E217-M238 WeakPolarHBondContact O-CB 3.36Å; E217-M238 VanDerWaalsContact O-CG 3.29Å; E217-M238 WeakPolarHBondContact O-CG 3.27Å; E217-M238 PolarHBondContact O-N 3.44Å; F219-M238 HydrophobicContact CB-CG 4.47Å; F219-M238 HydrophobicContact CB-SD 4.39Å; L236-M238 PolarHBondContact O-N 3.35Å; M238-W559 HydrophobicContact CE-CE3 3.98Å; M238-W559 HydrophobicContact CE-CH2 4.38Å; M238-W559 HydrophobicContact CE-CZ3 3.78Å; M238-W559 PolarHBondContact O-N 3.05Å; M238-V564 HydrophobicContact CE-CG2 4.34Å; M238-V564 HydrophobicContact CG-CG2 4.38Å; M238-V564 HydrophobicContact SD-CG2 4.4Å
239	E	97.3	Very high	96.9	Very high	113 Å²	113	19.3 Å²	19.3	53%	0.528	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-38.4	-176.3	-174.9	178.6	-145.5	0	0	113.4	C237 V558	C237-E239 VanDerWaalsContact C-N 3.29Å; C237-E239 PolarHBondContact O-N 2.95Å; E239-V558 WeakPolarHBondContact O-CG1 3.45Å
240	D	95	Very high	97.2	Very high	50 Å²	50	15.9 Å²	15.9	27%	0.267	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-8.6	-176.9	68.7	8.6	0	0	0	113.8	C237 S242	C237-D240 WeakPolarHBondContact CB-OD1 3.09Å; C237-D240 PolarHBondContact SG-OD1 3.11Å; D240-S242 VanDerWaalsContact C-N 3.28Å; D240-S242 VanDerWaalsContact CG-OG 3.28Å; D240-S242 PolarHBondContact O-N 3.14Å; D240-S242 VanDerWaalsContact OD1-CB 3.23Å; D240-S242 WeakPolarHBondContact OD1-CB 3.47Å; D240-S242 PolarHBondContact OD1-N 2.84Å; D240-S242 PolarHBondContact OD1-OG 3.27Å; D240-S242 PolarHBondContact OD2-OG 3.22Å
241	G	95.4	Very high	97.3	Very high	5 Å²	5	15.7 Å²	15.7	5%	0.052	8%	0.076	C	C	.	.			trans	77.6	7.8	-179.7	0	0	0	0	0	115.1	C237	C237-G241 WeakPolarHBondContact O-CA 3.37Å; C237-G241 PolarHBondContact O-N 3.35Å
242	S	95.9	Very high	97.4	Very high	11 Å²	11	14.5 Å²	14.5	8%	0.077	7%	0.071	C	C	.	.			trans	-76.8	153.7	-179.9	67.8	0	0	0	0	111.7	C237 D240 H244	C237-S242 WeakPolarHBondContact CB-O 3.18Å; C237-S242 PolarHBondContact N-O 2.89Å; D240-S242 VanDerWaalsContact C-N 3.28Å; D240-S242 VanDerWaalsContact CG-OG 3.28Å; D240-S242 PolarHBondContact O-N 3.14Å; D240-S242 VanDerWaalsContact OD1-CB 3.23Å; D240-S242 WeakPolarHBondContact OD1-CB 3.47Å; D240-S242 PolarHBondContact OD1-N 2.84Å; D240-S242 PolarHBondContact OD1-OG 3.27Å; D240-S242 PolarHBondContact OD2-OG 3.22Å; S242-H244 PolarHBondContact OG-CD2 3.18Å; S242-H244 PolarHBondContact OG-NE2 2.93Å
243	I	97.6	Very high	97.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.6	179.5	-60.9	-59.5	0	0	0	108.7	Y54 P55 V56 V57 I234 L236 V494 L497	Y54-I243 HydrophobicContact CD1-CG1 4.44Å; P55-I243 PolarHBondContact O-N 3.25Å; P55-I243 VanDerWaalsContact O-N 3.14Å; V56-I243 CarbonylContact C-O 3.4Å; V56-I243 VanDerWaalsContact CA-O 3.31Å; V56-I243 WeakPolarHBondContact CA-O 3.46Å; V56-I243 HydrophobicContact CG2-CB 4.26Å; V56-I243 HydrophobicContact CG2-CG2 4.24Å; V57-I243 PolarHBondContact N-O 2.95Å; I234-I243 HydrophobicContact CD1-CG2 3.67Å; I234-I243 HydrophobicContact CG1-CG2 3.78Å; L236-I243 HydrophobicContact CB-CD1 4.34Å; L236-I243 HydrophobicContact CD1-CD1 3.93Å; I243-V494 HydrophobicContact CG1-CG2 4.32Å; I243-V494 HydrophobicContact CG2-CG2 3.99Å; I243-L497 HydrophobicContact CD1-CD1 3.94Å
244	H	98.2	Very high	97.5	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.6	-176.1	-76.9	-129.5	0	0	0	110.9	V57 H59 Y218 I234 A235 S242 F246	V57-H244 CarbonylContact O-C 3.52Å; V57-H244 VanDerWaalsContact O-CA 3.26Å; V57-H244 WeakPolarHBondContact O-CA 3.44Å; H59-H244 AromaticContact CD2-ND1 3.57Å; H59-H244 AromaticContact CE1-ND1 3.68Å; H59-H244 AromaticContact NE2-CE1 3.43Å; H59-H244 PolarHBondContact NE2-CE1 2.95Å; H59-H244 AromaticContact NE2-CG 3.74Å; H59-H244 AromaticContact NE2-ND1 2.8Å; H59-H244 PolarHBondContact NE2-ND1 3.21Å; Y218-H244 HydrophobicContact CD1-CB 4.47Å; Y218-H244 HydrophobicContact CE1-CB 4.14Å; Y218-H244 AromaticContact CE1-CD2 3.61Å; Y218-H244 AromaticContact CE1-CE1 3.59Å; Y218-H244 AromaticContact CE1-CG 3.54Å; Y218-H244 AromaticContact CE1-ND1 3.49Å; Y218-H244 WeakPolarHBondContact CE1-ND1 3.45Å; Y218-H244 AromaticContact CE1-NE2 3.63Å; Y218-H244 AromaticContact CZ-CE1 3.78Å; Y218-H244 AromaticContact CZ-NE2 3.92Å; Y218-H244 PolarHBondContact OH-CE1 3.41Å; Y218-H244 PolarHBondContact OH-NE2 2.84Å; I234-H244 CarbonylContact C-O 3.54Å; I234-H244 VanDerWaalsContact CA-O 3.3Å; I234-H244 WeakPolarHBondContact CA-O 3.44Å; A235-H244 PolarHBondContact N-O 3.3Å; A235-H244 PolarHBondContact O-N 3.37Å; S242-H244 PolarHBondContact OG-CD2 3.18Å; S242-H244 PolarHBondContact OG-NE2 2.93Å; H244-F246 HydrophobicContact CB-CD2 4.25Å; H244-F246 HydrophobicContact CB-CE2 3.51Å; H244-F246 HydrophobicContact CB-CZ 3.9Å
245	R	98.1	Very high	97.5	Very high	11 Å²	11	16.6 Å²	16.6	4%	0.042	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.1	167.3	-60.2	-173	-60.1	-174.2	-5.8	109.5	V56 V57 D58 H59 L224 I234 K486 P487 A489	V56-R245 HydrophobicContact CG1-CG 3.94Å; V57-R245 PolarHBondContact O-N 3.05Å; D58-R245 VanDerWaalsContact CG-NH2 3.28Å; D58-R245 WeakPolarHBondContact OD1-CB 3.3Å; D58-R245 IonicContact OD1-CZ 3.02Å; D58-R245 VanDerWaalsContact OD1-CZ 3.23Å; D58-R245 IonicContact OD1-NE 2.77Å; D58-R245 PolarHBondContact OD1-NE 2.92Å; D58-R245 IonicContact OD1-NH2 2.68Å; D58-R245 PolarHBondContact OD1-NH2 3.15Å; D58-R245 IonicContact OD2-CZ 3.36Å; D58-R245 IonicContact OD2-NE 3.28Å; D58-R245 IonicContact OD2-NH2 3.96Å; D58-R245 PolarHBondContact OD2-NH2 2.92Å; H59-R245 PolarHBondContact N-O 3.04Å; L224-R245 HydrophobicContact CD1-CB 4.19Å; I234-R245 HydrophobicContact CB-CG 4.35Å; I234-R245 HydrophobicContact CD1-CG 4.14Å; I234-R245 HydrophobicContact CG1-CG 4.13Å; R245-K486 PolarHBondContact NH1-O 3.33Å; R245-P487 PolarHBondContact NH1-O 3.37Å; R245-A489 WeakPolarHBondContact CD-O 3.24Å; R245-A489 PolarHBondContact NH1-O 3.13Å
246	F	98.3	Very high	97.5	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	98.6	176.5	-64	-88.2	0	0	0	108.5	H59 F61 V64 A87 V89 F215 Y218 G232 V233 A235 H244	H59-F246 HydrophobicContact CB-CD1 3.94Å; H59-F246 HydrophobicContact CB-CE1 4.31Å; H59-F246 AromaticContact CD2-CE1 3.91Å; H59-F246 AromaticContact CG-CE1 3.97Å; F61-F246 HydrophobicContact CD2-CD1 4.42Å; F61-F246 HydrophobicContact CE2-CD1 4.32Å; V64-F246 HydrophobicContact CG2-CB 4.07Å; V64-F246 HydrophobicContact CG2-CG 4.5Å; A87-F246 HydrophobicContact CB-CD1 4.31Å; V89-F246 HydrophobicContact CG2-CD1 4.23Å; V89-F246 HydrophobicContact CG2-CD2 4.03Å; V89-F246 HydrophobicContact CG2-CE1 4.16Å; V89-F246 HydrophobicContact CG2-CE2 3.94Å; V89-F246 HydrophobicContact CG2-CG 4.17Å; V89-F246 HydrophobicContact CG2-CZ 4.01Å; F215-F246 HydrophobicContact CB-CE1 4.48Å; F215-F246 HydrophobicContact CB-CZ 4.15Å; F215-F246 AromaticContact CD1-CE1 3.71Å; F215-F246 HydrophobicContact CD1-CE1 3.71Å; F215-F246 AromaticContact CD1-CZ 3.67Å; F215-F246 HydrophobicContact CD1-CZ 3.67Å; F215-F246 AromaticContact CD2-CE1 3.59Å; F215-F246 HydrophobicContact CD2-CE1 3.59Å; F215-F246 HydrophobicContact CD2-CZ 4.11Å; F215-F246 AromaticContact CE1-CE1 3.71Å; F215-F246 HydrophobicContact CE1-CE1 3.71Å; F215-F246 HydrophobicContact CE1-CZ 4.04Å; F215-F246 HydrophobicContact CE2-CD1 4.37Å; F215-F246 AromaticContact CE2-CE1 3.59Å; F215-F246 HydrophobicContact CE2-CE1 3.59Å; F215-F246 HydrophobicContact CE2-CZ 4.46Å; F215-F246 AromaticContact CG-CE1 3.65Å; F215-F246 HydrophobicContact CG-CE1 3.65Å; F215-F246 AromaticContact CG-CZ 3.7Å; F215-F246 HydrophobicContact CG-CZ 3.7Å; F215-F246 AromaticContact CZ-CE1 3.65Å; F215-F246 HydrophobicContact CZ-CE1 3.65Å; F215-F246 HydrophobicContact CZ-CZ 4.43Å; Y218-F246 HydrophobicContact CD1-CE2 4.28Å; Y218-F246 HydrophobicContact CD1-CZ 4.18Å; Y218-F246 HydrophobicContact CE1-CZ 4.32Å; G232-F246 CarbonylContact C-O 3.52Å; G232-F246 WeakPolarHBondContact CA-O 3.48Å; V233-F246 HydrophobicContact CG2-CB 4.03Å; V233-F246 HydrophobicContact CG2-CD2 4.18Å; V233-F246 HydrophobicContact CG2-CG 4.47Å; V233-F246 PolarHBondContact N-O 3.07Å; V233-F246 PolarHBondContact O-N 2.86Å; A235-F246 HydrophobicContact CB-CD2 4.46Å; A235-F246 HydrophobicContact CB-CE2 4.04Å; H244-F246 HydrophobicContact CB-CD2 4.25Å; H244-F246 HydrophobicContact CB-CE2 3.51Å; H244-F246 HydrophobicContact CB-CZ 3.9Å
247	R	97.7	Very high	97.5	Very high	43 Å²	43	17.6 Å²	17.6	16%	0.162	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.9	175.7	-63.5	175.4	60.8	-147.9	-9.3	109.3	H59 E60 F61 K231 L482 S483 L485	H59-R247 WeakPolarHBondContact O-CB 3.49Å; H59-R247 PolarHBondContact O-N 3.29Å; E60-R247 HydrophobicContact CG-CB 4.49Å; E60-R247 IonicContact OE1-CZ 3.85Å; E60-R247 IonicContact OE1-NH1 2.77Å; E60-R247 PolarHBondContact OE1-NH1 2.79Å; E60-R247 IonicContact OE1-NH2 2.75Å; F61-R247 PolarHBondContact N-O 3.17Å; K231-R247 WeakPolarHBondContact O-CA 3.19Å; R247-L482 HydrophobicContact CB-CD1 4.06Å; R247-S483 PolarHBondContact NH2-O 2.69Å; R247-L485 HydrophobicContact CG-CD2 3.93Å
248	A	96.4	Very high	97.5	Very high	4 Å²	4	17.6 Å²	17.6	3%	0.033	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	152.9	177.6	0	0	0	0	0	111.5	F61 V64 K231 N250	F61-A248 VanDerWaalsContact O-CA 3.3Å; F61-A248 WeakPolarHBondContact O-CA 3.38Å; V64-A248 HydrophobicContact CB-CB 4.16Å; V64-A248 HydrophobicContact CG1-CB 3.87Å; K231-A248 CarbonylContact C-O 3.09Å; K231-A248 VanDerWaalsContact C-O 3.25Å; K231-A248 PolarHBondContact O-N 2.84Å; A248-N250 VanDerWaalsContact C-N 3.28Å
249	Q	93.4	Very high	97.5	Very high	48 Å²	48	17 Å²	17	22%	0.224	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	-33	173.4	-174	60.2	36	0	0	110.7	D62 G435 L482	D62-Q249 PolarHBondContact O-N 2.9Å; Q249-G435 WeakPolarHBondContact O-CA 3.45Å; Q249-L482 HydrophobicContact CB-CD2 4.02Å
250	N	96.7	Very high	97.6	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.1	-177.9	-65	-72.9	0	0	0	111.4	D62 A63 V64 A248 Y437 I472 H476	D62-N250 PolarHBondContact O-N 3.33Å; A63-N250 CarbonylContact C-O 3.19Å; A63-N250 WeakPolarHBondContact CA-O 3.28Å; A63-N250 HydrophobicContact CB-CB 4.39Å; V64-N250 PolarHBondContact N-O 2.89Å; A248-N250 VanDerWaalsContact C-N 3.28Å; N250-Y437 HydrophobicContact CB-CE2 4.39Å; N250-Y437 WeakPolarHBondContact OD1-CE2 3.24Å; N250-I472 HydrophobicContact CB-CD1 3.84Å; N250-I472 HydrophobicContact CB-CG1 4.16Å; N250-I472 HydrophobicContact CB-CG2 4.38Å; N250-H476 PolarHBondContact ND2-CD2 2.87Å
251	T	98.6	Very high	97.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.6	177	-63.2	0	0	0	0	109.8	V64 L223 G232 V233 G435 L436 Y437	V64-T251 HydrophobicContact CG1-CG2 3.96Å; V64-T251 WeakPolarHBondContact CG1-OG1 3.35Å; V64-T251 CarbonylContact O-C 3.44Å; V64-T251 VanDerWaalsContact O-CA 3.31Å; V64-T251 WeakPolarHBondContact O-CA 3.46Å; L223-T251 HydrophobicContact CD2-CG2 4.24Å; G232-T251 WeakPolarHBondContact CA-OG1 3.5Å; V233-T251 HydrophobicContact CG1-CG2 3.78Å; T251-G435 PolarHBondContact N-O 2.77Å; T251-L436 HydrophobicContact CG2-CD1 4.11Å; T251-Y437 PolarHBondContact O-N 3.42Å
252	V	98.8	Very high	97.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.9	177.5	-172.6	0	0	0	0	109.7	V64 V65 V66 A75 L79 C468 I472	V64-V252 PolarHBondContact O-N 2.96Å; V65-V252 CarbonylContact C-O 3.52Å; V65-V252 WeakPolarHBondContact CA-O 3.46Å; V65-V252 HydrophobicContact CB-CB 4.48Å; V65-V252 HydrophobicContact CG1-CB 4.32Å; V65-V252 HydrophobicContact CG2-CB 4.12Å; V65-V252 HydrophobicContact CG2-CG2 4.26Å; V66-V252 PolarHBondContact N-O 3.48Å; A75-V252 HydrophobicContact CB-CG1 4.36Å; L79-V252 HydrophobicContact CD1-CG2 4.4Å; V252-C468 HydrophobicContact CG1-CB 4.37Å; V252-I472 HydrophobicContact CG2-CD1 3.94Å
253	I	98.8	Very high	98	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.5	175	-58	178.5	0	0	0	110	L223 T255 V279 I412 L436 Y437 A438 C439 A442	L223-I253 HydrophobicContact CD1-CD1 4.26Å; L223-I253 HydrophobicContact CD2-CD1 4.07Å; I253-T255 HydrophobicContact CG2-CG2 4.01Å; I253-V279 HydrophobicContact CD1-CG2 3.63Å; I253-I412 HydrophobicContact CB-CD1 4.07Å; I253-I412 HydrophobicContact CD1-CD1 3.81Å; I253-I412 HydrophobicContact CG2-CD1 3.7Å; I253-L436 HydrophobicContact CD1-CD1 3.94Å; I253-L436 HydrophobicContact CG1-CD1 4.13Å; I253-Y437 PolarHBondContact N-O 3.07Å; I253-A438 HydrophobicContact CB-CB 4.3Å; I253-A438 VanDerWaalsContact O-CA 3.25Å; I253-A438 WeakPolarHBondContact O-CA 3.47Å; I253-C439 PolarHBondContact O-N 3.44Å; I253-A442 HydrophobicContact CG2-CB 4.36Å
254	A	98.8	Very high	97.9	Very high	9 Å²	9	17.4 Å²	17.4	7%	0.074	9%	0.09	C	C	.	.			trans	-137	44.6	179.7	0	0	0	0	0	111.4	V66 A71	V66-A254 CarbonylContact O-C 3.22Å; V66-A254 VanDerWaalsContact O-C 3.32Å; V66-A254 WeakPolarHBondContact O-CA 3.42Å; V66-A254 PolarHBondContact O-N 2.93Å; A71-A254 HydrophobicContact CB-CB 4.29Å
255	T	98.8	Very high	97.9	Very high	34 Å²	34	17.9 Å²	17.9	21%	0.209	9%	0.093	C	C	.	.			trans	-85.2	-5.6	-166.7	49.1	0	0	0	0	115.4	V66 I253 G275 M278	V66-T255 HydrophobicContact CB-CG2 4.35Å; V66-T255 HydrophobicContact CG1-CG2 3.77Å; V66-T255 WeakPolarHBondContact O-CG2 3.31Å; I253-T255 HydrophobicContact CG2-CG2 4.01Å; T255-G275 WeakPolarHBondContact OG1-CA 3.23Å; T255-G275 PolarHBondContact OG1-N 3.39Å; T255-G275 VanDerWaalsContact OG1-N 3.15Å; T255-M278 HydrophobicContact CG2-CE 4.49Å
256	G	98.6	Very high	97.9	Very high	23 Å²	23	18.2 Å²	18.2	24%	0.237	10%	0.097	C	C	.	.			trans	82.9	-173.1	-178.8	0	0	0	0	0	114.2
257	G	98.4	Very high	97.9	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.01	10%	0.098	C	C	.	.			trans	-83.6	-170.5	-177.7	0	0	0	0	0	115.8	S271 T272 G273 E441	G257-S271 CarbonylContact O-C 3.33Å; G257-T272 PolarHBondContact O-N 3.29Å; G257-G273 PolarHBondContact O-N 3.38Å; G257-G273 VanDerWaalsContact O-N 3.17Å; G257-E441 PolarHBondContact N-OE2 3.38Å
258	Y	98.8	Very high	97.9	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.008	10%	0.101	C	C	.	.			trans	-131.2	29.8	-173.7	59.5	-91.2	0	0	0	113.5	R260 T261 S271 L289 N408 N575 T579	Y258-R260 PolarHBondContact O-N 2.96Å; Y258-T261 HydrophobicContact CD2-CG2 3.89Å; Y258-T261 WeakPolarHBondContact O-CG2 3.18Å; Y258-T261 PolarHBondContact O-N 3Å; Y258-T261 PolarHBondContact O-OG1 2.99Å; Y258-T261 VanDerWaalsContact O-OG1 3.06Å; Y258-S271 CarbonylContact C-O 3.54Å; Y258-S271 WeakPolarHBondContact CA-O 3.47Å; Y258-L289 HydrophobicContact CE1-CD2 3.68Å; Y258-L289 WeakPolarHBondContact OH-CA 3.38Å; Y258-L289 WeakPolarHBondContact OH-CB 3.17Å; Y258-L289 WeakPolarHBondContact OH-CD2 3.33Å; Y258-L289 PolarHBondContact OH-O 2.82Å; Y258-N408 HydrophobicContact CD1-CB 4.03Å; Y258-N408 HydrophobicContact CE1-CB 3.54Å; Y258-N408 WeakPolarHBondContact CE1-ND2 3.27Å; Y258-N408 WeakPolarHBondContact CE2-ND2 3.5Å; Y258-N408 PolarHBondContact N-OD1 2.91Å; Y258-N408 PolarHBondContact OH-ND2 3.38Å; Y258-N575 HydrophobicContact CD1-CB 4.37Å; Y258-N575 HydrophobicContact CD2-CB 3.72Å; Y258-N575 HydrophobicContact CE2-CB 4.2Å; Y258-N575 HydrophobicContact CG-CB 3.83Å; Y258-T579 WeakPolarHBondContact CE2-OG1 3.42Å; Y258-T579 PolarHBondContact OH-OG1 2.83Å
259	G	98.6	Very high	98	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-54	-21.1	-179.2	0	0	0	0	0	115.2	T261 Y262 N408	G259-T261 PolarHBondContact O-N 3.17Å; G259-T261 VanDerWaalsContact O-N 3.15Å; G259-Y262 PolarHBondContact O-N 2.85Å; G259-Y262 VanDerWaalsContact O-N 3.12Å; G259-N408 PolarHBondContact N-OD1 3.43Å
260	R	98.5	Very high	98.2	Very high	44 Å²	44	23.9 Å²	23.9	17%	0.166	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-70.7	0.6	175.5	-73.8	-71.8	171.4	-179.7	2	115.3	Y258 Y262 S267 A268 S271 Q517 L572	Y258-R260 PolarHBondContact O-N 2.96Å; R260-Y262 PolarHBondContact O-N 3.02Å; R260-S267 PolarHBondContact NE-O 2.98Å; R260-S267 PolarHBondContact NH2-O 3.01Å; R260-A268 WeakPolarHBondContact CG-O 3.37Å; R260-A268 PolarHBondContact NE-O 3.19Å; R260-A268 VanDerWaalsContact NE-O 3.12Å; R260-S271 WeakPolarHBondContact CB-O 3.22Å; R260-S271 PolarHBondContact N-O 2.91Å; R260-Q517 PolarHBondContact O-NE2 3.06Å; R260-L572 HydrophobicContact CB-CD1 4.4Å; R260-L572 HydrophobicContact CB-CD2 3.97Å
261	T	98.7	Very high	98.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-66.6	-18.1	163.9	53.7	0	0	0	0	112.3	Y258 G259 M516 Q517 M520 L572 N575 A576	Y258-T261 HydrophobicContact CD2-CG2 3.89Å; Y258-T261 WeakPolarHBondContact O-CG2 3.18Å; Y258-T261 PolarHBondContact O-N 3Å; Y258-T261 PolarHBondContact O-OG1 2.99Å; Y258-T261 VanDerWaalsContact O-OG1 3.06Å; G259-T261 PolarHBondContact O-N 3.17Å; G259-T261 VanDerWaalsContact O-N 3.15Å; T261-M516 HydrophobicContact CG2-SD 4.44Å; T261-Q517 WeakPolarHBondContact O-CA 3.49Å; T261-M520 WeakPolarHBondContact O-CB 3.36Å; T261-M520 WeakPolarHBondContact O-CG 3.47Å; T261-L572 HydrophobicContact CG2-CB 4.25Å; T261-L572 HydrophobicContact CG2-CD2 3.58Å; T261-L572 WeakPolarHBondContact CG2-O 3.27Å; T261-N575 HydrophobicContact CG2-CB 4.17Å; T261-A576 HydrophobicContact CG2-CB 4.01Å
262	Y	98.7	Very high	98.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-103.3	158.1	177.9	-71.1	-102.2	0	0	0	112.3	G259 R260 V292 F294 V405 Q517 M520 A524	G259-Y262 PolarHBondContact O-N 2.85Å; G259-Y262 VanDerWaalsContact O-N 3.12Å; R260-Y262 PolarHBondContact O-N 3.02Å; Y262-V292 HydrophobicContact CE2-CG1 4Å; Y262-V292 HydrophobicContact CE2-CG2 4.23Å; Y262-F294 HydrophobicContact CE1-CZ 4.23Å; Y262-V405 HydrophobicContact CD1-CG2 3.65Å; Y262-V405 HydrophobicContact CD2-CB 4.41Å; Y262-V405 HydrophobicContact CD2-CG1 3.91Å; Y262-V405 HydrophobicContact CD2-CG2 3.91Å; Y262-V405 HydrophobicContact CE1-CG2 4.08Å; Y262-V405 HydrophobicContact CE2-CG1 4.43Å; Y262-V405 HydrophobicContact CE2-CG2 4.33Å; Y262-V405 HydrophobicContact CG-CB 4.26Å; Y262-V405 HydrophobicContact CG-CG1 4.25Å; Y262-V405 HydrophobicContact CG-CG2 3.55Å; Y262-Q517 WeakPolarHBondContact O-CG 3.43Å; Y262-M520 HydrophobicContact CD1-CB 3.84Å; Y262-M520 HydrophobicContact CD2-CB 4.4Å; Y262-M520 HydrophobicContact CE1-CB 3.91Å; Y262-M520 HydrophobicContact CE1-CE 4.37Å; Y262-M520 WeakPolarHBondContact CE1-O 3.39Å; Y262-M520 HydrophobicContact CE2-CB 4.45Å; Y262-M520 HydrophobicContact CE2-CE 3.85Å; Y262-M520 HydrophobicContact CG-CB 4.1Å; Y262-M520 WeakPolarHBondContact OH-CE 3.42Å; Y262-A524 HydrophobicContact CE1-CB 4.43Å; Y262-A524 WeakPolarHBondContact CE1-O 3.44Å; Y262-A524 PolarHBondContact OH-O 3Å; Y262-A524 VanDerWaalsContact OH-O 3.11Å
263	F	97.6	Very high	98.3	Very high	114 Å²	114	24.3 Å²	24.3	50%	0.5	14%	0.135	S	C	.	.	S	Bend	trans	-70.7	-46.6	178.4	-178.3	-105.2	0	0	0	112.2	L514 Q517 K518 Q521	F263-L514 HydrophobicContact CD2-CD1 3.77Å; F263-L514 HydrophobicContact CE2-CD1 3.68Å; F263-Q517 HydrophobicContact CB-CB 4.08Å; F263-Q517 PolarHBondContact N-O 2.95Å; F263-K518 HydrophobicContact CD2-CG 4.39Å; F263-Q521 HydrophobicContact CB-CB 3.94Å; F263-Q521 HydrophobicContact CB-CG 4.14Å
264	S	96.3	Very high	98.4	Very high	31 Å²	31	24.9 Å²	24.9	22%	0.217	14%	0.138	C	C	.	.	S	Bend	trans	-110.7	116.9	175.7	-176.3	0	0	0	0	110.5
265	C	98.1	Very high	98.3	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.061	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-146.4	151.5	177.2	66.9	0	0	0	0	111	S267 V405	C265-S267 PolarHBondContact O-N 2.93Å; C265-V405 CarbonylContact C-O 3.53Å; C265-V405 WeakPolarHBondContact CA-O 3.37Å; C265-V405 HydrophobicContact CB-CB 3.98Å; C265-V405 HydrophobicContact CB-CG1 4.2Å; C265-V405 WeakPolarHBondContact CB-O 3.45Å
266	T	98.1	Very high	98.3	Very high	19 Å²	19	22.9 Å²	22.9	12%	0.117	13%	0.125	C	C	.	.	S	Bend	trans	-75.3	-11.5	170	71.7	0	0	0	0	112.3	H98 G303 L305 T404 V405 H406	H98-T266 PolarHBondContact CE1-O 3.26Å; T266-G303 WeakPolarHBondContact CA-O 3.47Å; T266-G303 WeakPolarHBondContact CG2-O 3.38Å; T266-L305 HydrophobicContact CG2-CB 4.07Å; T266-L305 HydrophobicContact CG2-CD1 4.47Å; T266-T404 HydrophobicContact CG2-CG2 3.89Å; T266-V405 PolarHBondContact N-O 2.93Å; T266-H406 HydrophobicContact CG2-CB 4.48Å; T266-H406 PolarHBondContact OG1-ND1 3.11Å
267	S	97.9	Very high	98.3	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.028	11%	0.113	C	C	.	.	S	Bend	trans	-68.3	147.1	-173.3	-48	0	0	0	0	111.9	R260 C265	R260-S267 PolarHBondContact NE-O 2.98Å; R260-S267 PolarHBondContact NH2-O 3.01Å; C265-S267 PolarHBondContact O-N 2.93Å
268	A	97.8	Very high	98.3	Very high	28 Å²	28	21.8 Å²	21.8	23%	0.231	11%	0.113	C	C	.	.			trans	-59.6	160.1	172.4	0	0	0	0	0	110.7	H98 R260 T270 S271	H98-A268 HydrophobicContact CB-CB 4.28Å; H98-A268 PolarHBondContact CE1-N 2.98Å; H98-A268 PolarHBondContact ND1-N 3.47Å; R260-A268 WeakPolarHBondContact CG-O 3.37Å; R260-A268 PolarHBondContact NE-O 3.19Å; R260-A268 VanDerWaalsContact NE-O 3.12Å; A268-T270 PolarHBondContact O-N 3.14Å; A268-T270 VanDerWaalsContact O-N 3.12Å; A268-S271 PolarHBondContact O-N 2.82Å
269	H	98.4	Very high	98.3	Very high	144 Å²	144	21.7 Å²	21.7	67%	0.667	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.5	173.4	-76.3	-80.2	0	0	0	112.7	S271 T272	H269-S271 PolarHBondContact O-N 3.31Å; H269-T272 WeakPolarHBondContact O-CG2 3.37Å
270	T	98.4	Very high	98.2	Very high	38 Å²	38	21.7 Å²	21.7	23%	0.233	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-0.2	-174.7	58.7	0	0	0	0	114.1	K91 L92 A268 T272	K91-T270 WeakPolarHBondContact CE-O 3.47Å; K91-T270 PolarHBondContact NZ-O 2.78Å; L92-T270 HydrophobicContact CD1-CG2 3.88Å; L92-T270 HydrophobicContact CD2-CG2 3.75Å; L92-T270 HydrophobicContact CG-CG2 4.31Å; A268-T270 PolarHBondContact O-N 3.14Å; A268-T270 VanDerWaalsContact O-N 3.12Å; T270-T272 PolarHBondContact O-N 3.4Å; T270-T272 VanDerWaalsContact O-N 3.14Å; T270-T272 PolarHBondContact O-OG1 3.22Å
271	S	98.7	Very high	98.2	Very high	7 Å²	7	22.5 Å²	22.5	5%	0.049	12%	0.116	C	C	.	.			trans	-84.9	75.5	178.4	-65.5	0	0	0	0	110.8	G257 Y258 R260 A268 H269	G257-S271 CarbonylContact O-C 3.33Å; Y258-S271 CarbonylContact C-O 3.54Å; Y258-S271 WeakPolarHBondContact CA-O 3.47Å; R260-S271 WeakPolarHBondContact CB-O 3.22Å; R260-S271 PolarHBondContact N-O 2.91Å; A268-S271 PolarHBondContact O-N 2.82Å; H269-S271 PolarHBondContact O-N 3.31Å
272	T	98.9	Very high	98.1	Very high	3 Å²	3	24 Å²	24	2%	0.018	13%	0.128	C	C	.	.			trans	-112.9	5	-165.2	51.2	0	0	0	0	114.4	K91 G257 H269 T270 D274 E568 L572	K91-T272 PolarHBondContact NZ-OG1 3.3Å; G257-T272 PolarHBondContact O-N 3.29Å; H269-T272 WeakPolarHBondContact O-CG2 3.37Å; T270-T272 PolarHBondContact O-N 3.4Å; T270-T272 VanDerWaalsContact O-N 3.14Å; T270-T272 PolarHBondContact O-OG1 3.22Å; T272-D274 WeakPolarHBondContact CB-OD1 3.31Å; T272-D274 VanDerWaalsContact OG1-CG 3.23Å; T272-D274 PolarHBondContact OG1-OD1 3.46Å; T272-D274 PolarHBondContact OG1-OD2 3.27Å; T272-E568 HydrophobicContact CG2-CB 3.9Å; T272-E568 HydrophobicContact CG2-CG 4.06Å; T272-L572 HydrophobicContact CG2-CD1 4.13Å; T272-L572 HydrophobicContact CG2-CD2 4.47Å; T272-L572 HydrophobicContact CG2-CG 4.28Å
273	G	98.6	Very high	97.9	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.01	15%	0.152	C	C	.	.			trans	65.3	39.3	177.1	0	0	0	0	0	114.2	G257 T276 A277 N575	G257-G273 PolarHBondContact O-N 3.38Å; G257-G273 VanDerWaalsContact O-N 3.17Å; G273-T276 WeakPolarHBondContact CA-OG1 3.5Å; G273-T276 PolarHBondContact O-OG1 2.83Å; G273-A277 VanDerWaalsContact O-CB 3.3Å; G273-A277 WeakPolarHBondContact O-CB 3.4Å; G273-A277 PolarHBondContact O-N 3.44Å; G273-N575 PolarHBondContact O-ND2 2.76Å
274	D	98.9	Very high	97.7	Very high	11 Å²	11	22 Å²	22	6%	0.059	13%	0.134	C	C	.	.	H	α-helix	trans	-66.3	-43.7	-174	-52.6	-32.3	0	0	0	111.5	K91 T272 A277 M278 N571	K91-D274 WeakPolarHBondContact CE-OD2 3.41Å; K91-D274 IonicContact NZ-OD1 3.52Å; K91-D274 IonicContact NZ-OD2 3.52Å; K91-D274 PolarHBondContact NZ-OD2 3.02Å; T272-D274 WeakPolarHBondContact CB-OD1 3.31Å; T272-D274 VanDerWaalsContact OG1-CG 3.23Å; T272-D274 PolarHBondContact OG1-OD1 3.46Å; T272-D274 PolarHBondContact OG1-OD2 3.27Å; D274-A277 PolarHBondContact O-N 3.36Å; D274-M278 WeakPolarHBondContact O-CG 3.32Å; D274-M278 PolarHBondContact O-N 2.79Å; D274-N571 PolarHBondContact OD1-ND2 2.99Å
275	G	98.6	Very high	97.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69.3	-37.3	179.5	0	0	0	0	0	114	T255 A277 M278 V279	T255-G275 WeakPolarHBondContact OG1-CA 3.23Å; T255-G275 PolarHBondContact OG1-N 3.39Å; T255-G275 VanDerWaalsContact OG1-N 3.15Å; G275-A277 VanDerWaalsContact C-N 3.3Å; G275-M278 PolarHBondContact O-N 2.96Å; G275-V279 WeakPolarHBondContact O-CB 3.21Å; G275-V279 WeakPolarHBondContact O-CG2 3.3Å; G275-V279 PolarHBondContact O-N 3.32Å
276	T	98.4	Very high	97.6	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-40.5	173.2	47.4	0	0	0	0	110.5	G273 V279 T280 I412 N575	G273-T276 WeakPolarHBondContact CA-OG1 3.5Å; G273-T276 PolarHBondContact O-OG1 2.83Å; T276-V279 WeakPolarHBondContact O-CB 3.47Å; T276-V279 PolarHBondContact O-N 3.01Å; T276-T280 PolarHBondContact O-N 3.27Å; T276-T280 PolarHBondContact O-OG1 3.42Å; T276-I412 HydrophobicContact CG2-CG1 4.2Å; T276-N575 VanDerWaalsContact CB-OD1 3.27Å; T276-N575 WeakPolarHBondContact CB-OD1 3.35Å; T276-N575 VanDerWaalsContact OG1-CG 3.29Å; T276-N575 PolarHBondContact OG1-ND2 3.38Å; T276-N575 VanDerWaalsContact OG1-ND2 3.15Å; T276-N575 PolarHBondContact OG1-OD1 3.45Å
277	A	98.8	Very high	97.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.8	-40.9	176.3	0	0	0	0	0	113.7	G273 D274 G275 V279 T280 R281 N571 L574	G273-A277 VanDerWaalsContact O-CB 3.3Å; G273-A277 WeakPolarHBondContact O-CB 3.4Å; G273-A277 PolarHBondContact O-N 3.44Å; D274-A277 PolarHBondContact O-N 3.36Å; G275-A277 VanDerWaalsContact C-N 3.3Å; A277-V279 PolarHBondContact O-N 2.87Å; A277-T280 PolarHBondContact O-N 3.33Å; A277-R281 PolarHBondContact O-N 2.8Å; A277-N571 VanDerWaalsContact CB-CA 3.49Å; A277-N571 HydrophobicContact CB-CB 3.53Å; A277-N571 VanDerWaalsContact CB-OD1 3.3Å; A277-N571 WeakPolarHBondContact CB-OD1 3.38Å; A277-L574 HydrophobicContact CB-CB 4.48Å; A277-L574 HydrophobicContact CB-CD1 4.02Å
278	M	98.6	Very high	97.6	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-57.3	-41.1	172.1	-73	-166.2	-69.4	0	0	111.3	V66 A220 L221 L223 T255 D274 G275 R281 A282	V66-M278 HydrophobicContact CG1-CE 4.2Å; A220-M278 HydrophobicContact CB-CE 4.11Å; A220-M278 HydrophobicContact CB-SD 3.95Å; L221-M278 VanDerWaalsContact O-CG 3.3Å; L221-M278 WeakPolarHBondContact O-CG 3.42Å; L223-M278 HydrophobicContact CG-CB 4.26Å; T255-M278 HydrophobicContact CG2-CE 4.49Å; D274-M278 WeakPolarHBondContact O-CG 3.32Å; D274-M278 PolarHBondContact O-N 2.79Å; G275-M278 PolarHBondContact O-N 2.96Å; M278-R281 PolarHBondContact O-N 2.86Å; M278-A282 WeakPolarHBondContact O-CB 3.45Å; M278-A282 PolarHBondContact O-N 2.91Å
279	V	97.6	Very high	97.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.6	-44.2	175.7	155.6	0	0	0	0	112	L223 I253 G275 T276 A277 A282 L284 I412	L223-V279 HydrophobicContact CD1-CG2 4.15Å; I253-V279 HydrophobicContact CD1-CG2 3.63Å; G275-V279 WeakPolarHBondContact O-CB 3.21Å; G275-V279 WeakPolarHBondContact O-CG2 3.3Å; G275-V279 PolarHBondContact O-N 3.32Å; T276-V279 WeakPolarHBondContact O-CB 3.47Å; T276-V279 PolarHBondContact O-N 3.01Å; A277-V279 PolarHBondContact O-N 2.87Å; V279-A282 WeakPolarHBondContact O-CB 3.46Å; V279-A282 PolarHBondContact O-N 3.21Å; V279-L284 HydrophobicContact CG1-CB 4.28Å; V279-L284 PolarHBondContact O-N 3.37Å; V279-I412 HydrophobicContact CB-CD1 4.34Å; V279-I412 HydrophobicContact CB-CG1 4.14Å; V279-I412 HydrophobicContact CG1-CG1 4.23Å; V279-I412 HydrophobicContact CG2-CD1 3.57Å; V279-I412 HydrophobicContact CG2-CG1 3.79Å; V279-I412 HydrophobicContact CG2-CG2 4.22Å
280	T	97.9	Very high	97.7	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-62.3	-43.8	176.4	-65.9	0	0	0	0	111.4	T276 A277 A282 G283 L574 Q578 V631	T276-T280 PolarHBondContact O-N 3.27Å; T276-T280 PolarHBondContact O-OG1 3.42Å; A277-T280 PolarHBondContact O-N 3.33Å; T280-A282 VanDerWaalsContact C-N 3.29Å; T280-A282 PolarHBondContact O-N 3.34Å; T280-G283 WeakPolarHBondContact O-CA 3.48Å; T280-G283 PolarHBondContact O-N 2.79Å; T280-L574 HydrophobicContact CG2-CB 4.49Å; T280-L574 HydrophobicContact CG2-CD1 4.26Å; T280-L574 HydrophobicContact CG2-CD2 4.13Å; T280-Q578 PolarHBondContact OG1-OE1 3.43Å; T280-V631 HydrophobicContact CG2-CB 3.59Å; T280-V631 HydrophobicContact CG2-CG2 3.73Å
281	R	97.9	Very high	97.7	Very high	61 Å²	61	9 Å²	9	23%	0.23	6%	0.06	C	C	.	.	H	α-helix	trans	-65.4	-30.6	177	-74.8	-171	-65.8	-87.6	2.3	113.2	L221 D222 A277 M278 G283 N571 L574 P633	L221-R281 PolarHBondContact O-NH2 2.91Å; D222-R281 IonicContact OD1-CZ 3Å; D222-R281 IonicContact OD1-NE 2.69Å; D222-R281 PolarHBondContact OD1-NE 2.82Å; D222-R281 IonicContact OD1-NH2 3.75Å; D222-R281 IonicContact OD2-NE 3.23Å; A277-R281 PolarHBondContact O-N 2.8Å; M278-R281 PolarHBondContact O-N 2.86Å; R281-G283 PolarHBondContact O-N 2.82Å; R281-G283 VanDerWaalsContact O-N 3.11Å; R281-N571 PolarHBondContact NH1-OD1 3.26Å; R281-N571 PolarHBondContact NH2-OD1 3.49Å; R281-N571 VanDerWaalsContact NH2-OD1 3.1Å; R281-L574 HydrophobicContact CG-CD1 3.92Å; R281-P633 HydrophobicContact CG-CB 4.39Å; R281-P633 HydrophobicContact CG-CG 4.2Å
282	A	95.9	Very high	97.7	Very high	31 Å²	31	8.7 Å²	8.7	26%	0.256	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	0.3	170	0	0	0	0	0	114	L223 M225 M278 V279 T280 L284	L223-A282 HydrophobicContact CD1-CB 4.29Å; M225-A282 HydrophobicContact CG-CB 3.76Å; M225-A282 HydrophobicContact SD-CB 4.42Å; M278-A282 WeakPolarHBondContact O-CB 3.45Å; M278-A282 PolarHBondContact O-N 2.91Å; V279-A282 WeakPolarHBondContact O-CB 3.46Å; V279-A282 PolarHBondContact O-N 3.21Å; T280-A282 VanDerWaalsContact C-N 3.29Å; T280-A282 PolarHBondContact O-N 3.34Å; A282-L284 VanDerWaalsContact C-N 3.29Å; A282-L284 HydrophobicContact CB-CD1 4.18Å; A282-L284 HydrophobicContact CB-CG 4.2Å; A282-L284 PolarHBondContact O-N 3.19Å
283	G	94	Very high	97.7	Very high	49 Å²	49	8.6 Å²	8.6	51%	0.505	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	15.8	-179.8	0	0	0	0	0	113.6	T280 R281	T280-G283 WeakPolarHBondContact O-CA 3.48Å; T280-G283 PolarHBondContact O-N 2.79Å; R281-G283 PolarHBondContact O-N 2.82Å; R281-G283 VanDerWaalsContact O-N 3.11Å
284	L	93.9	Very high	97.7	Very high	23 Å²	23	9 Å²	9	12%	0.12	6%	0.059	C	C	.	.			trans	-108.3	150.1	-174.8	-52.3	174.6	0	0	0	110.2	M225 V279 A282 R420 V422 I433 L436	M225-L284 HydrophobicContact CE-CD1 3.87Å; M225-L284 HydrophobicContact SD-CD1 4.44Å; V279-L284 HydrophobicContact CG1-CB 4.28Å; V279-L284 PolarHBondContact O-N 3.37Å; A282-L284 VanDerWaalsContact C-N 3.29Å; A282-L284 HydrophobicContact CB-CD1 4.18Å; A282-L284 HydrophobicContact CB-CG 4.2Å; A282-L284 PolarHBondContact O-N 3.19Å; L284-R420 VanDerWaalsContact CD1-CZ 3.42Å; L284-V422 HydrophobicContact CB-CG2 4.44Å; L284-V422 HydrophobicContact CD2-CG1 4.47Å; L284-V422 HydrophobicContact CD2-CG2 4.21Å; L284-I433 HydrophobicContact CD2-CD1 4.42Å; L284-L436 HydrophobicContact CD1-CD2 4.33Å
285	P	94.6	Very high	97.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.056	C	C	.	.			trans	-76.5	153.3	-171	29.3	-33.5	0	0	0	113.3	P413 R420 M628 S629 Y630	P285-P413 VanDerWaalsContact O-CD 3.31Å; P285-P413 WeakPolarHBondContact O-CD 3.16Å; P285-R420 PolarHBondContact O-NH2 2.97Å; P285-M628 HydrophobicContact CB-CE 3.67Å; P285-M628 HydrophobicContact CG-CE 3.67Å; P285-S629 VanDerWaalsContact CA-O 3.28Å; P285-S629 WeakPolarHBondContact CA-O 3.33Å; P285-Y630 HydrophobicContact CB-CD1 4.2Å; P285-Y630 HydrophobicContact CB-CD2 4.21Å; P285-Y630 HydrophobicContact CB-CE1 3.76Å; P285-Y630 HydrophobicContact CB-CE2 3.75Å; P285-Y630 HydrophobicContact CB-CG 4.42Å; P285-Y630 HydrophobicContact CG-CE1 3.93Å; P285-Y630 HydrophobicContact CG-CE2 4.37Å; P285-Y630 WeakPolarHBondContact CG-OH 3.14Å
286	C	97.5	Very high	97.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	161	154.4	-62	0	0	0	0	110.5	L289 G411 M628 S629	C286-L289 HydrophobicContact CB-CD1 3.5Å; C286-L289 VanDerWaalsContact CB-CD1 3.5Å; C286-L289 HydrophobicContact CB-CD2 4.14Å; C286-L289 HydrophobicContact CB-CG 3.86Å; C286-G411 CarbonylContact C-O 3.47Å; C286-G411 WeakPolarHBondContact CA-O 3.47Å; C286-M628 CarbonylContact O-C 3.57Å; C286-M628 WeakPolarHBondContact O-CA 3.5Å; C286-S629 PolarHBondContact N-O 2.63Å; C286-S629 PolarHBondContact O-N 3.22Å; C286-S629 PolarHBondContact O-OG 3.24Å
287	Q	98.1	Very high	97.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.7	-176	-174.6	174.8	-64.1	0	0	111.2	L289 G410 G411 P413 C444 H626 T627 M628	Q287-L289 VanDerWaalsContact C-N 3.29Å; Q287-L289 PolarHBondContact O-N 3.46Å; Q287-L289 VanDerWaalsContact O-N 3.12Å; Q287-G410 CarbonylContact O-C 3.46Å; Q287-G410 WeakPolarHBondContact O-CA 3.33Å; Q287-G411 PolarHBondContact N-O 3.08Å; Q287-G411 PolarHBondContact O-N 2.93Å; Q287-P413 HydrophobicContact CB-CB 4Å; Q287-P413 HydrophobicContact CB-CG 4.41Å; Q287-C444 HydrophobicContact CB-CB 4.08Å; Q287-C444 PolarHBondContact NE2-SG 2.88Å; Q287-H626 HydrophobicContact CG-CB 3.78Å; Q287-H626 PolarHBondContact NE2-ND1 3.47Å; Q287-H626 VanDerWaalsContact NE2-ND1 3.13Å; Q287-T627 CarbonylContact C-O 3.48Å; Q287-T627 WeakPolarHBondContact CA-O 3.34Å; Q287-M628 HydrophobicContact CB-CE 4.14Å; Q287-M628 HydrophobicContact CB-SD 3.66Å; Q287-M628 HydrophobicContact CG-SD 3.53Å; Q287-M628 VanDerWaalsContact CG-SD 3.53Å; Q287-M628 PolarHBondContact OE1-SD 2.84Å; Q287-M628 VanDerWaalsContact OE1-SD 3.41Å
288	D	98.6	Very high	97.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.056	C	C	.	.			trans	55.9	29.6	165.8	-64.7	-22.1	0	0	0	116.6	E290 F291 G410 H626 T627	D288-E290 VanDerWaalsContact C-OE2 3.27Å; D288-E290 WeakPolarHBondContact CA-OE2 3.39Å; D288-E290 PolarHBondContact O-N 3.01Å; D288-E290 VanDerWaalsContact O-N 3.13Å; D288-F291 HydrophobicContact CB-CD2 3.79Å; D288-F291 HydrophobicContact CB-CE2 4.37Å; D288-F291 PolarHBondContact O-N 2.82Å; D288-F291 VanDerWaalsContact O-N 3.11Å; D288-G410 WeakPolarHBondContact O-CA 3.42Å; D288-G410 PolarHBondContact O-N 3.24Å; D288-H626 WeakPolarHBondContact OD1-CA 3.34Å; D288-H626 WeakPolarHBondContact OD1-CB 3.44Å; D288-H626 IonicContact OD1-ND1 3.03Å; D288-H626 IonicContact OD2-CE1 3.65Å; D288-H626 IonicContact OD2-CG 3.45Å; D288-H626 IonicContact OD2-ND1 2.75Å; D288-H626 PolarHBondContact OD2-ND1 2.96Å; D288-T627 PolarHBondContact N-O 3.04Å; D288-T627 PolarHBondContact OD1-N 3.11Å
289	L	98.8	Very high	97.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-14.9	-175	-62.4	-176.2	0	0	0	114.1	Y258 C286 Q287 F291 Q578 T579	Y258-L289 HydrophobicContact CE1-CD2 3.68Å; Y258-L289 WeakPolarHBondContact OH-CA 3.38Å; Y258-L289 WeakPolarHBondContact OH-CB 3.17Å; Y258-L289 WeakPolarHBondContact OH-CD2 3.33Å; Y258-L289 PolarHBondContact OH-O 2.82Å; C286-L289 HydrophobicContact CB-CD1 3.5Å; C286-L289 VanDerWaalsContact CB-CD1 3.5Å; C286-L289 HydrophobicContact CB-CD2 4.14Å; C286-L289 HydrophobicContact CB-CG 3.86Å; Q287-L289 VanDerWaalsContact C-N 3.29Å; Q287-L289 PolarHBondContact O-N 3.46Å; Q287-L289 VanDerWaalsContact O-N 3.12Å; L289-F291 VanDerWaalsContact C-N 3.25Å; L289-F291 PolarHBondContact O-N 3.42Å; L289-Q578 HydrophobicContact CB-CB 4.49Å; L289-Q578 HydrophobicContact CD1-CB 3.48Å; L289-Q578 VanDerWaalsContact CD1-CB 3.48Å; L289-Q578 HydrophobicContact CD1-CG 4.2Å; L289-T579 WeakPolarHBondContact O-CB 3.18Å; L289-T579 VanDerWaalsContact O-CG2 3.27Å; L289-T579 WeakPolarHBondContact O-CG2 3.43Å; L289-T579 PolarHBondContact O-OG1 2.93Å
290	E	98.8	Very high	97.4	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.6	174.4	70.9	-87	-149.5	0	0	113.8	D288 V292 R528 A583 R586 T627	D288-E290 VanDerWaalsContact C-OE2 3.27Å; D288-E290 WeakPolarHBondContact CA-OE2 3.39Å; D288-E290 PolarHBondContact O-N 3.01Å; D288-E290 VanDerWaalsContact O-N 3.13Å; E290-V292 PolarHBondContact O-N 2.96Å; E290-R528 PolarHBondContact O-NH1 2.94Å; E290-R528 PolarHBondContact O-NH2 2.79Å; E290-A583 HydrophobicContact CB-CB 3.9Å; E290-R586 IonicContact OE1-CZ 3.65Å; E290-R586 IonicContact OE1-NE 2.69Å; E290-R586 PolarHBondContact OE1-NE 2.93Å; E290-R586 IonicContact OE1-NH2 3.67Å; E290-R586 PolarHBondContact OE1-NH2 2.77Å; E290-T627 VanDerWaalsContact OE1-CB 3.24Å; E290-T627 WeakPolarHBondContact OE1-CB 3.4Å; E290-T627 PolarHBondContact OE1-OG1 2.88Å
291	F	98.8	Very high	97.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.104	C	C	.	.			trans	-87.1	90.8	179.3	-63.4	-80.3	0	0	0	109.5	L132 D288 L289 M409 A450 R590 H593	L132-F291 HydrophobicContact CD2-CD2 4.02Å; L132-F291 HydrophobicContact CD2-CE1 4.1Å; L132-F291 HydrophobicContact CD2-CE2 3.33Å; L132-F291 HydrophobicContact CD2-CZ 3.37Å; D288-F291 HydrophobicContact CB-CD2 3.79Å; D288-F291 HydrophobicContact CB-CE2 4.37Å; D288-F291 PolarHBondContact O-N 2.82Å; D288-F291 VanDerWaalsContact O-N 3.11Å; L289-F291 VanDerWaalsContact C-N 3.25Å; L289-F291 PolarHBondContact O-N 3.42Å; F291-M409 VanDerWaalsContact C-CE 3.46Å; F291-M409 HydrophobicContact CB-CB 4.09Å; F291-M409 HydrophobicContact CB-CE 3.85Å; F291-M409 VanDerWaalsContact O-CE 3.29Å; F291-M409 WeakPolarHBondContact O-CE 3.45Å; F291-M409 PolarHBondContact O-N 3Å; F291-A450 HydrophobicContact CD1-CB 3.55Å; F291-A450 HydrophobicContact CE1-CB 3.41Å; F291-A450 VanDerWaalsContact CE1-CB 3.41Å; F291-A450 HydrophobicContact CG-CB 4.41Å; F291-A450 HydrophobicContact CZ-CB 4.16Å; F291-R590 HydrophobicContact CE1-CB 4.35Å; F291-R590 WeakPolarHBondContact CE1-O 3.23Å; F291-H593 HydrophobicContact CD1-CB 3.86Å; F291-H593 HydrophobicContact CE1-CB 3.63Å; F291-H593 HydrophobicContact CZ-CB 4.5Å
292	V	98.8	Very high	97	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.6	176.9	179.5	0	0	0	0	108.9	Y262 E290 F294 V405 T579 A592	Y262-V292 HydrophobicContact CE2-CG1 4Å; Y262-V292 HydrophobicContact CE2-CG2 4.23Å; E290-V292 PolarHBondContact O-N 2.96Å; V292-F294 HydrophobicContact CB-CE2 4.5Å; V292-F294 HydrophobicContact CG1-CE2 4.38Å; V292-F294 WeakPolarHBondContact O-CD2 3.27Å; V292-V405 HydrophobicContact CG1-CG1 3.75Å; V292-V405 HydrophobicContact CG1-CG2 4.27Å; V292-T579 HydrophobicContact CG2-CG2 3.94Å; V292-A592 WeakPolarHBondContact O-CB 3.2Å
293	Q	98.7	Very high	97	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	126.2	178.7	175.3	167.4	100	0	0	110.5	R339 H406 Y407 M409 N451 R452	Q293-R339 VanDerWaalsContact CD-CD 3.45Å; Q293-R339 VanDerWaalsContact OE1-CD 3.27Å; Q293-H406 PolarHBondContact O-N 3.34Å; Q293-Y407 PolarHBondContact N-O 3.46Å; Q293-Y407 PolarHBondContact O-N 2.79Å; Q293-M409 HydrophobicContact CB-CE 3.78Å; Q293-M409 HydrophobicContact CB-SD 3.45Å; Q293-M409 WeakPolarHBondContact CB-SD 3.48Å; Q293-N451 PolarHBondContact NE2-OD1 3.43Å; Q293-R452 PolarHBondContact NE2-O 3.15Å
294	F	98.6	Very high	97.1	Very high	9 Å²	9	12.9 Å²	12.9	4%	0.039	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	121	164.3	-61.5	-101.6	0	0	0	107.2	Y262 V292 S343 P403 T404 V405 V526	Y262-F294 HydrophobicContact CE1-CZ 4.23Å; V292-F294 HydrophobicContact CB-CE2 4.5Å; V292-F294 HydrophobicContact CG1-CE2 4.38Å; V292-F294 WeakPolarHBondContact O-CD2 3.27Å; F294-S343 PolarHBondContact O-OG 3Å; F294-P403 HydrophobicContact CB-CB 4.25Å; F294-T404 CarbonylContact C-O 3.51Å; F294-T404 VanDerWaalsContact CA-O 3.3Å; F294-T404 WeakPolarHBondContact CA-O 3.44Å; F294-V405 HydrophobicContact CD1-CG2 3.69Å; F294-V405 HydrophobicContact CE1-CG2 3.24Å; F294-V405 HydrophobicContact CZ-CG2 3.73Å; F294-V526 HydrophobicContact CB-CG2 3.99Å; F294-V526 HydrophobicContact CD1-CG2 3.7Å; F294-V526 HydrophobicContact CD2-CG2 3.87Å; F294-V526 HydrophobicContact CE1-CG2 4.13Å; F294-V526 HydrophobicContact CE2-CG2 4.32Å; F294-V526 HydrophobicContact CG-CG2 3.57Å; F294-V526 HydrophobicContact CZ-CG2 4.44Å
295	H	98.5	Very high	97.3	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	134	170.2	-169.2	-87.4	0	0	0	108.4	T297 L305 I306 R339 P403 T404 H406	H295-T297 VanDerWaalsContact C-N 3.27Å; H295-T297 PolarHBondContact CE1-OG1 2.96Å; H295-T297 PolarHBondContact ND1-N 3.13Å; H295-T297 VanDerWaalsContact ND1-N 3.19Å; H295-T297 PolarHBondContact ND1-OG1 3.47Å; H295-T297 PolarHBondContact O-N 2.86Å; H295-L305 HydrophobicContact CB-CD1 4.38Å; H295-L305 VanDerWaalsContact CE1-CD1 3.43Å; H295-L305 WeakPolarHBondContact CE1-CD1 3.42Å; H295-L305 WeakPolarHBondContact ND1-CD1 3.41Å; H295-I306 PolarHBondContact CE1-O 2.81Å; H295-R339 PolarHBondContact NE2-NH2 3.49Å; H295-P403 WeakPolarHBondContact O-CA 3.14Å; H295-T404 PolarHBondContact N-O 3.44Å; H295-T404 PolarHBondContact O-N 2.85Å; H295-H406 HydrophobicContact CB-CB 3.55Å; H295-H406 AromaticContact CD2-CD2 3.96Å; H295-H406 AromaticContact CD2-NE2 3.97Å
296	P	98.1	Very high	97.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	-43.4	-177	-31	37.6	0	0	0	113.3	R339 V342 M346 L402	P296-R339 HydrophobicContact CG-CB 4.35Å; P296-R339 HydrophobicContact CG-CG 4.39Å; P296-V342 HydrophobicContact CB-CB 4.21Å; P296-V342 HydrophobicContact CB-CG1 3.68Å; P296-V342 HydrophobicContact CG-CB 3.79Å; P296-V342 HydrophobicContact CG-CG1 3.82Å; P296-M346 HydrophobicContact CB-SD 3.66Å; P296-M346 WeakPolarHBondContact O-CE 3.39Å; P296-M346 VanDerWaalsContact O-SD 3.37Å; P296-L402 CarbonylContact O-C 3.58Å; P296-L402 VanDerWaalsContact O-O 3.14Å
297	T	98.1	Very high	97.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	66	-166.5	51.6	0	0	0	0	113.3	H295 I306 L317 L365 V401	H295-T297 VanDerWaalsContact C-N 3.27Å; H295-T297 PolarHBondContact CE1-OG1 2.96Å; H295-T297 PolarHBondContact ND1-N 3.13Å; H295-T297 VanDerWaalsContact ND1-N 3.19Å; H295-T297 PolarHBondContact ND1-OG1 3.47Å; H295-T297 PolarHBondContact O-N 2.86Å; T297-I306 WeakPolarHBondContact O-CB 3.46Å; T297-I306 PolarHBondContact O-N 3.25Å; T297-I306 PolarHBondContact OG1-O 2.87Å; T297-L317 HydrophobicContact CG2-CD2 3.89Å; T297-L365 HydrophobicContact CG2-CD2 4.23Å; T297-V401 HydrophobicContact CG2-CB 4.21Å; T297-V401 HydrophobicContact CG2-CG1 4.32Å; T297-V401 HydrophobicContact CG2-CG2 4.02Å
298	G	98.1	Very high	97.5	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	141.1	159.3	0	0	0	0	0	109.6	C304 V401 L402	G298-C304 CarbonylContact C-O 3.56Å; G298-V401 CarbonylContact O-C 3.4Å; G298-V401 VanDerWaalsContact O-CA 3.24Å; G298-V401 WeakPolarHBondContact O-CA 3.4Å; G298-L402 PolarHBondContact N-O 2.86Å; G298-L402 VanDerWaalsContact N-O 3.11Å; G298-L402 PolarHBondContact O-N 3.37Å
299	I	96.8	Very high	97.4	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	136	179.9	-153.1	174.8	0	0	0	109.7	A302 G303 C304 I306 F389 A390 I399	I299-A302 HydrophobicContact CG2-CB 3.78Å; I299-G303 WeakPolarHBondContact O-CA 3.36Å; I299-G303 PolarHBondContact O-N 3.34Å; I299-C304 HydrophobicContact CG2-CB 3.78Å; I299-C304 PolarHBondContact N-O 3.04Å; I299-I306 HydrophobicContact CB-CG1 4.35Å; I299-F389 HydrophobicContact CD1-CB 3.89Å; I299-F389 HydrophobicContact CG2-CB 4.49Å; I299-A390 HydrophobicContact CD1-CB 3.61Å; I299-A390 HydrophobicContact CG1-CB 4.14Å; I299-I399 HydrophobicContact CD1-CG2 4.33Å; I299-I399 HydrophobicContact CG1-CG2 4.05Å
300	Y	95.4	Very high	97.4	Very high	73 Å²	73	13 Å²	13	29%	0.286	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	142	178.4	-178.8	-104.1	0	0	0	111.9	A302 D361 H362 P400 L402	Y300-A302 VanDerWaalsContact C-N 3.32Å; Y300-A302 PolarHBondContact O-N 3Å; Y300-D361 VanDerWaalsContact CE2-CG 3.42Å; Y300-D361 VanDerWaalsContact CE2-OD1 3.23Å; Y300-D361 WeakPolarHBondContact CE2-OD1 3.33Å; Y300-D361 WeakPolarHBondContact CE2-OD2 3.28Å; Y300-D361 VanDerWaalsContact CZ-OD1 3.31Å; Y300-D361 VanDerWaalsContact CZ-OD2 3.24Å; Y300-D361 VanDerWaalsContact OH-CG 3.24Å; Y300-D361 PolarHBondContact OH-OD1 3.28Å; Y300-D361 PolarHBondContact OH-OD2 3.08Å; Y300-H362 AromaticContact CD1-CE1 3.95Å; Y300-H362 AromaticContact CD1-ND1 3.95Å; Y300-H362 HydrophobicContact CD2-CB 3.65Å; Y300-H362 AromaticContact CD2-CG 3.74Å; Y300-H362 AromaticContact CD2-ND1 3.62Å; Y300-H362 AromaticContact CE1-CE1 3.96Å; Y300-H362 AromaticContact CE1-ND1 3.94Å; Y300-H362 HydrophobicContact CE2-CB 4.22Å; Y300-H362 AromaticContact CE2-ND1 3.6Å; Y300-H362 HydrophobicContact CG-CB 4.13Å; Y300-H362 AromaticContact CG-CG 3.86Å; Y300-H362 AromaticContact CG-ND1 3.79Å; Y300-H362 AromaticContact CZ-ND1 3.75Å; Y300-P400 PolarHBondContact N-O 3.44Å; Y300-L402 HydrophobicContact CD2-CD1 4.27Å; Y300-L402 HydrophobicContact CD2-CD2 4.22Å
301	G	93.9	Very high	97.4	Very high	71 Å²	71	13.2 Å²	13.2	73%	0.732	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	77	-71.1	-172.9	0	0	0	0	0	113.3
302	A	93.7	Very high	97.3	Very high	53 Å²	53	14 Å²	14	44%	0.438	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-25.4	-169.9	0	0	0	0	0	114.7	I299 Y300 C304 F389	I299-A302 HydrophobicContact CG2-CB 3.78Å; Y300-A302 VanDerWaalsContact C-N 3.32Å; Y300-A302 PolarHBondContact O-N 3Å; A302-C304 VanDerWaalsContact C-N 3.26Å; A302-C304 PolarHBondContact O-N 3.49Å; A302-F389 HydrophobicContact CB-CB 4.19Å; A302-F389 HydrophobicContact CB-CD1 3.92Å; A302-F389 HydrophobicContact CB-CG 4.3Å
303	G	95.2	Very high	97.3	Very high	2 Å²	2	14.9 Å²	14.9	2%	0.021	10%	0.104	C	C	.	.			trans	76.5	2.5	179.3	0	0	0	0	0	115.4	T266 I299	T266-G303 WeakPolarHBondContact CA-O 3.47Å; T266-G303 WeakPolarHBondContact CG2-O 3.38Å; I299-G303 WeakPolarHBondContact O-CA 3.36Å; I299-G303 PolarHBondContact O-N 3.34Å
304	C	96.6	Very high	97.3	Very high	36 Å²	36	16.4 Å²	16.4	24%	0.243	12%	0.12	C	C	.	.			trans	-57.4	139.7	173.7	-55.9	0	0	0	0	112	G298 I299 A302 I306 T385	G298-C304 CarbonylContact C-O 3.56Å; I299-C304 HydrophobicContact CG2-CB 3.78Å; I299-C304 PolarHBondContact N-O 3.04Å; A302-C304 VanDerWaalsContact C-N 3.26Å; A302-C304 PolarHBondContact O-N 3.49Å; C304-I306 PolarHBondContact O-N 3.01Å; C304-T385 HydrophobicContact CB-CG2 4.08Å
305	L	98.1	Very high	97.2	Very high	22 Å²	22	16 Å²	16	12%	0.115	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-65.8	130.9	177.3	175.1	66.6	0	0	0	111.6	Q103 T266 H295	Q103-L305 HydrophobicContact CG-CD2 4.3Å; Q103-L305 PolarHBondContact NE2-O 3.11Å; Q103-L305 PolarHBondContact OE1-O 2.95Å; T266-L305 HydrophobicContact CG2-CB 4.07Å; T266-L305 HydrophobicContact CG2-CD1 4.47Å; H295-L305 HydrophobicContact CB-CD1 4.38Å; H295-L305 VanDerWaalsContact CE1-CD1 3.43Å; H295-L305 WeakPolarHBondContact CE1-CD1 3.42Å; H295-L305 WeakPolarHBondContact ND1-CD1 3.41Å
306	I	98.4	Very high	97.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	13%	0.126	C	C	.	.			trans	-106.7	116.8	158.8	-57.8	-63.7	0	0	0	108.1	H295 T297 I299 C304 L365 I382 T385 I399	H295-I306 PolarHBondContact CE1-O 2.81Å; T297-I306 WeakPolarHBondContact O-CB 3.46Å; T297-I306 PolarHBondContact O-N 3.25Å; T297-I306 PolarHBondContact OG1-O 2.87Å; I299-I306 HydrophobicContact CB-CG1 4.35Å; C304-I306 PolarHBondContact O-N 3.01Å; I306-L365 HydrophobicContact CG2-CD2 3.59Å; I306-I382 HydrophobicContact CD1-CB 4.09Å; I306-I382 HydrophobicContact CD1-CG2 4.28Å; I306-I382 HydrophobicContact CG2-CB 4.32Å; I306-I382 HydrophobicContact CG2-CG2 4.31Å; I306-T385 HydrophobicContact CD1-CG2 4.25Å; I306-I399 HydrophobicContact CD1-CD1 4.46Å; I306-I399 HydrophobicContact CG1-CG2 4.28Å; I306-I399 HydrophobicContact CG2-CD1 4.05Å
307	T	98	Very high	97.3	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.012	13%	0.126	C	C	.	.			trans	-51.4	139.5	-171.1	-174	0	0	0	0	113.5	Q103 G104 D193 G309 C310 L379 I382	Q103-T307 VanDerWaalsContact OE1-CB 3.24Å; G104-T307 WeakPolarHBondContact CA-OG1 3.28Å; G104-T307 PolarHBondContact N-OG1 2.76Å; D193-T307 HydrophobicContact CB-CG2 4.19Å; T307-G309 PolarHBondContact O-N 3.11Å; T307-G309 VanDerWaalsContact O-N 3.14Å; T307-G309 PolarHBondContact OG1-N 2.81Å; T307-C310 VanDerWaalsContact O-CB 3.26Å; T307-C310 WeakPolarHBondContact O-CB 3.36Å; T307-C310 PolarHBondContact O-N 3.18Å; T307-C310 PolarHBondContact O-SG 3.02Å; T307-C310 VanDerWaalsContact O-SG 3.38Å; T307-L379 HydrophobicContact CG2-CD2 3.83Å; T307-I382 HydrophobicContact CG2-CG2 3.91Å
308	E	97.6	Very high	97.3	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.9	165.5	176.4	156.5	75.9	0	0	112.6	F172 C310 R311 G312 R339	F172-E308 HydrophobicContact CD1-CB 4.4Å; F172-E308 HydrophobicContact CD1-CG 3.96Å; F172-E308 WeakPolarHBondContact CD1-OE1 3.45Å; F172-E308 HydrophobicContact CE1-CB 3.69Å; F172-E308 HydrophobicContact CE1-CG 3.76Å; F172-E308 VanDerWaalsContact CE1-OE1 3.22Å; F172-E308 WeakPolarHBondContact CE1-OE1 3.49Å; F172-E308 HydrophobicContact CE2-CB 4.27Å; F172-E308 HydrophobicContact CE2-CG 4.47Å; F172-E308 HydrophobicContact CG-CG 4.41Å; F172-E308 HydrophobicContact CZ-CB 3.61Å; F172-E308 HydrophobicContact CZ-CG 4.03Å; E308-C310 PolarHBondContact O-N 3.3Å; E308-C310 VanDerWaalsContact O-N 3.16Å; E308-R311 VanDerWaalsContact CB-NH2 3.33Å; E308-R311 VanDerWaalsContact CG-NH2 3.27Å; E308-R311 PolarHBondContact O-N 3.3Å; E308-R311 IonicContact OE2-CZ 2.83Å; E308-R311 VanDerWaalsContact OE2-CZ 3.31Å; E308-R311 IonicContact OE2-NH1 2.79Å; E308-R311 PolarHBondContact OE2-NH1 2.78Å; E308-R311 IonicContact OE2-NH2 3.73Å; E308-R311 PolarHBondContact OE2-NH2 3.3Å; E308-G312 PolarHBondContact O-N 2.84Å; E308-R339 IonicContact OE1-CZ 3.43Å; E308-R339 IonicContact OE1-NE 3.35Å; E308-R339 PolarHBondContact OE1-NE 3.06Å; E308-R339 IonicContact OE1-NH2 3.78Å; E308-R339 PolarHBondContact OE1-NH2 3.41Å; E308-R339 WeakPolarHBondContact OE2-CG 3.41Å; E308-R339 IonicContact OE2-NE 2.7Å
309	G	97.4	Very high	97.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56.6	-24.7	168.9	0	0	0	0	0	113.4	F172 T307 R311 G312 E313	F172-G309 VanDerWaalsContact CE2-N 3.32Å; T307-G309 PolarHBondContact O-N 3.11Å; T307-G309 VanDerWaalsContact O-N 3.14Å; T307-G309 PolarHBondContact OG1-N 2.81Å; G309-R311 VanDerWaalsContact C-N 3.32Å; G309-R311 PolarHBondContact O-N 3.43Å; G309-G312 PolarHBondContact O-N 3.02Å; G309-E313 WeakPolarHBondContact O-CB 3.06Å; G309-E313 WeakPolarHBondContact O-CG 3.16Å; G309-E313 PolarHBondContact O-N 3.32Å
310	C	98.3	Very high	97.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.4	-45.3	172.1	-69.3	0	0	0	0	111.5	T307 E308 E313 G315 L365 L367 L379	T307-C310 VanDerWaalsContact O-CB 3.26Å; T307-C310 WeakPolarHBondContact O-CB 3.36Å; T307-C310 PolarHBondContact O-N 3.18Å; T307-C310 PolarHBondContact O-SG 3.02Å; T307-C310 VanDerWaalsContact O-SG 3.38Å; E308-C310 PolarHBondContact O-N 3.3Å; E308-C310 VanDerWaalsContact O-N 3.16Å; C310-E313 PolarHBondContact O-N 3.3Å; C310-G315 VanDerWaalsContact O-CA 3.31Å; C310-G315 WeakPolarHBondContact O-CA 3.14Å; C310-G315 PolarHBondContact O-N 3.27Å; C310-L365 HydrophobicContact CB-CD2 3.88Å; C310-L367 HydrophobicContact CB-CD1 4.35Å; C310-L367 HydrophobicContact CB-CD2 3.84Å; C310-L379 HydrophobicContact CB-CD1 4.43Å
311	R	98.5	Very high	97.5	Very high	6 Å²	6	24.4 Å²	24.4	2%	0.023	17%	0.168	C	C	.	.	H	α-helix	trans	-72.8	-35.5	175.9	-67.9	173.5	-78.5	128	-2.8	111.4	E308 G309 E313 G314 G315 D335 L336 L365	E308-R311 VanDerWaalsContact CB-NH2 3.33Å; E308-R311 VanDerWaalsContact CG-NH2 3.27Å; E308-R311 PolarHBondContact O-N 3.3Å; E308-R311 IonicContact OE2-CZ 2.83Å; E308-R311 VanDerWaalsContact OE2-CZ 3.31Å; E308-R311 IonicContact OE2-NH1 2.79Å; E308-R311 PolarHBondContact OE2-NH1 2.78Å; E308-R311 IonicContact OE2-NH2 3.73Å; E308-R311 PolarHBondContact OE2-NH2 3.3Å; G309-R311 VanDerWaalsContact C-N 3.32Å; G309-R311 PolarHBondContact O-N 3.43Å; R311-E313 PolarHBondContact O-N 3.31Å; R311-G314 PolarHBondContact O-N 3.09Å; R311-G314 VanDerWaalsContact O-N 3.08Å; R311-G315 WeakPolarHBondContact CA-O 3.43Å; R311-D335 HydrophobicContact CB-CB 4.27Å; R311-D335 WeakPolarHBondContact CD-O 3.37Å; R311-D335 HydrophobicContact CG-CB 4.09Å; R311-D335 PolarHBondContact NH1-O 3.29Å; R311-L336 HydrophobicContact CB-CD2 4.01Å; R311-L365 HydrophobicContact CG-CD1 4.01Å
312	G	97.7	Very high	97.6	Very high	16 Å²	16	23.4 Å²	23.4	17%	0.165	16%	0.158	C	C	.	.	H	α-helix	trans	-61.5	-30	173.8	0	0	0	0	0	114.2	A171 E308 G309 G314	A171-G312 WeakPolarHBondContact O-CA 3.31Å; E308-G312 PolarHBondContact O-N 2.84Å; G309-G312 PolarHBondContact O-N 3.02Å; G312-G314 VanDerWaalsContact C-N 3.33Å
313	E	98	Very high	97.8	Very high	19 Å²	19	23.9 Å²	23.9	9%	0.089	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.5	176.6	-64.5	-72.1	171.6	0	0	112.9	Y168 R170 G309 C310 R311 L370 Q374 R378 L379	Y168-E313 PolarHBondContact OH-OE1 3.27Å; R170-E313 IonicContact CZ-OE1 2.82Å; R170-E313 IonicContact NE-OE1 3.58Å; R170-E313 IonicContact NH1-OE1 3.64Å; R170-E313 IonicContact NH2-OE1 3.7Å; G309-E313 WeakPolarHBondContact O-CB 3.06Å; G309-E313 WeakPolarHBondContact O-CG 3.16Å; G309-E313 PolarHBondContact O-N 3.32Å; C310-E313 PolarHBondContact O-N 3.3Å; R311-E313 PolarHBondContact O-N 3.31Å; E313-L370 HydrophobicContact CB-CD1 4.43Å; E313-L370 WeakPolarHBondContact O-CD2 3.4Å; E313-Q374 PolarHBondContact O-NE2 3.48Å; E313-Q374 VanDerWaalsContact O-NE2 3.11Å; E313-Q374 PolarHBondContact OE2-NE2 3.31Å; E313-R378 HydrophobicContact CG-CB 4.23Å; E313-L379 HydrophobicContact CB-CD1 4.25Å; E313-L379 HydrophobicContact CG-CD1 4.31Å; E313-L379 HydrophobicContact CG-CD2 4.32Å; E313-L379 HydrophobicContact CG-CG 4.33Å
314	G	97.8	Very high	97.9	Very high	34 Å²	34	27.6 Å²	27.6	35%	0.351	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.3	6.1	176.7	0	0	0	0	0	115.7	R311 G312 H369	R311-G314 PolarHBondContact O-N 3.09Å; R311-G314 VanDerWaalsContact O-N 3.08Å; G312-G314 VanDerWaalsContact C-N 3.33Å; G314-H369 PolarHBondContact O-NE2 3.32Å
315	G	98.3	Very high	98	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.01	15%	0.153	C	C	.	.			trans	-64.6	151.2	171.4	0	0	0	0	0	112.9	C310 R311 Q366	C310-G315 VanDerWaalsContact O-CA 3.31Å; C310-G315 WeakPolarHBondContact O-CA 3.14Å; C310-G315 PolarHBondContact O-N 3.27Å; R311-G315 WeakPolarHBondContact CA-O 3.43Å; G315-Q366 WeakPolarHBondContact CA-O 3.38Å
316	I	98.6	Very high	98	Very high	29 Å²	29	24.9 Å²	24.9	15%	0.149	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	149.4	-174.1	63.2	174.5	0	0	0	111.8	I318 R324 Q366	I316-I318 HydrophobicContact CD1-CG2 4.07Å; I316-I318 HydrophobicContact CG1-CG2 4.17Å; I316-R324 HydrophobicContact CB-CG 4.2Å; I316-R324 HydrophobicContact CD1-CG 4.5Å; I316-Q366 HydrophobicContact CG1-CB 3.94Å; I316-Q366 PolarHBondContact N-O 2.93Å; I316-Q366 VanDerWaalsContact N-O 3.14Å; I316-Q366 PolarHBondContact O-N 3.22Å
317	L	98.8	Very high	98	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.8	172	-64.5	170.4	0	0	0	110.4	T297 R324 F325 M326 D335 V342 M346 Y364 L365 V401	T297-L317 HydrophobicContact CG2-CD2 3.89Å; L317-R324 WeakPolarHBondContact O-CA 3.47Å; L317-F325 HydrophobicContact CB-CE1 3.75Å; L317-F325 HydrophobicContact CB-CE2 4.39Å; L317-F325 HydrophobicContact CB-CZ 3.55Å; L317-F325 HydrophobicContact CD1-CZ 4.19Å; L317-F325 HydrophobicContact CG-CZ 4.45Å; L317-M326 HydrophobicContact CD1-CG 4.15Å; L317-D335 PolarHBondContact N-OD1 3.37Å; L317-V342 HydrophobicContact CD1-CG1 3.48Å; L317-V342 VanDerWaalsContact CD1-CG1 3.48Å; L317-M346 HydrophobicContact CD1-CG 4.17Å; L317-M346 HydrophobicContact CD1-SD 3.96Å; L317-M346 HydrophobicContact CD2-CE 4.18Å; L317-Y364 WeakPolarHBondContact CA-O 3.47Å; L317-L365 HydrophobicContact CD2-CB 4.2Å; L317-L365 HydrophobicContact CD2-CD1 4.13Å; L317-V401 HydrophobicContact CD2-CG2 4.11Å
318	I	98.4	Very high	97.9	Very high	19 Å²	19	34.6 Å²	34.6	10%	0.097	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.5	178.3	68.2	-178.2	0	0	0	111.3	I316 E323 Y364 Q366	I316-I318 HydrophobicContact CD1-CG2 4.07Å; I316-I318 HydrophobicContact CG1-CG2 4.17Å; I318-E323 VanDerWaalsContact CA-O 3.31Å; I318-E323 WeakPolarHBondContact CA-O 3.28Å; I318-Y364 VanDerWaalsContact CG1-CB 3.48Å; I318-Y364 HydrophobicContact CG1-CD2 4.48Å; I318-Y364 HydrophobicContact CG1-CG 4.49Å; I318-Y364 PolarHBondContact N-O 3.16Å; I318-Y364 PolarHBondContact O-N 3.06Å; I318-Q366 HydrophobicContact CD1-CB 4.3Å
319	N	98.4	Very high	97.9	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	20%	0.199	C	C	.	.			trans	-91.9	-173.5	174.5	70	11	0	0	0	111.2	E321 G322 E323 F325 E349 R354	N319-E321 PolarHBondContact O-N 2.91Å; N319-E321 WeakPolarHBondContact OD1-CB 3.42Å; N319-E321 PolarHBondContact OD1-N 3.34Å; N319-G322 PolarHBondContact O-N 3.11Å; N319-G322 VanDerWaalsContact O-N 3.08Å; N319-G322 PolarHBondContact OD1-N 3.33Å; N319-E323 PolarHBondContact N-O 2.83Å; N319-E323 PolarHBondContact ND2-OE2 2.82Å; N319-E323 VanDerWaalsContact ND2-OE2 3.09Å; N319-E323 WeakPolarHBondContact OD1-CB 3.44Å; N319-E323 PolarHBondContact OD1-N 3.19Å; N319-F325 HydrophobicContact CB-CD1 3.96Å; N319-F325 HydrophobicContact CB-CE1 4.44Å; N319-E349 PolarHBondContact ND2-OE2 2.88Å; N319-R354 HydrophobicContact CB-CB 4.31Å; N319-R354 WeakPolarHBondContact CB-O 3.31Å
320	S	97.9	Very high	97.8	Very high	58 Å²	58	37.4 Å²	37.4	41%	0.406	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.9	-179.7	55.7	0	0	0	0	115.2	G322 R354 G355	S320-G322 VanDerWaalsContact C-N 3.32Å; S320-R354 WeakPolarHBondContact CB-O 3.48Å; S320-R354 PolarHBondContact N-O 3.04Å; S320-R354 WeakPolarHBondContact OG-CA 3.3Å; S320-R354 PolarHBondContact OG-O 3.48Å; S320-G355 WeakPolarHBondContact CB-O 3.41Å; S320-G355 PolarHBondContact OG-O 3.43Å
321	E	97.4	Very high	97.5	Very high	140 Å²	140	41.1 Å²	41.1	65%	0.654	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-1.9	176.4	-58.4	178.7	-174.9	0	0	111.8	N319 E323	N319-E321 PolarHBondContact O-N 2.91Å; N319-E321 WeakPolarHBondContact OD1-CB 3.42Å; N319-E321 PolarHBondContact OD1-N 3.34Å; E321-E323 PolarHBondContact O-N 3.32Å
322	G	96.5	Very high	97.2	Very high	51 Å²	51	47.4 Å²	47.4	53%	0.526	26%	0.257	S	S	.	.			trans	76	9	-173	0	0	0	0	0	113.7	N319 S320	N319-G322 PolarHBondContact O-N 3.11Å; N319-G322 VanDerWaalsContact O-N 3.08Å; N319-G322 PolarHBondContact OD1-N 3.33Å; S320-G322 VanDerWaalsContact C-N 3.32Å
323	E	98.1	Very high	96.8	Very high	63 Å²	63	47.7 Å²	47.7	29%	0.294	26%	0.258	S	S	.	.			trans	-71.3	129.7	177.7	-173.1	-160.4	180	0	0	109.9	I318 N319 E321 F325 R328	I318-E323 VanDerWaalsContact CA-O 3.31Å; I318-E323 WeakPolarHBondContact CA-O 3.28Å; N319-E323 PolarHBondContact N-O 2.83Å; N319-E323 PolarHBondContact ND2-OE2 2.82Å; N319-E323 VanDerWaalsContact ND2-OE2 3.09Å; N319-E323 WeakPolarHBondContact OD1-CB 3.44Å; N319-E323 PolarHBondContact OD1-N 3.19Å; E321-E323 PolarHBondContact O-N 3.32Å; E323-F325 HydrophobicContact CG-CB 4.4Å; E323-F325 PolarHBondContact O-N 2.95Å; E323-R328 IonicContact OE1-CZ 2.76Å; E323-R328 IonicContact OE1-NE 3.68Å; E323-R328 PolarHBondContact OE1-NE 3.47Å; E323-R328 IonicContact OE1-NH2 3.24Å; E323-R328 PolarHBondContact OE1-NH2 3.3Å; E323-R328 IonicContact OE2-NH2 3.26Å; E323-R328 PolarHBondContact OE2-NH2 3.09Å
324	R	98.1	Very high	96.8	Very high	80 Å²	80	49.9 Å²	49.9	30%	0.302	27%	0.267	S	S	.	.			trans	-75	70.6	163.5	-170.6	-173.4	173.8	-172.1	13.9	110.2	I316 L317 M326 E327 D335	I316-R324 HydrophobicContact CB-CG 4.2Å; I316-R324 HydrophobicContact CD1-CG 4.5Å; L317-R324 WeakPolarHBondContact O-CA 3.47Å; R324-M326 PolarHBondContact O-N 3.39Å; R324-E327 WeakPolarHBondContact CD-OE1 3.44Å; R324-E327 HydrophobicContact CG-CG 4.18Å; R324-E327 IonicContact CZ-OE1 3.62Å; R324-E327 IonicContact NE-OE1 3.75Å; R324-E327 IonicContact NH1-OE1 3.62Å; R324-E327 PolarHBondContact NH1-OE1 2.94Å; R324-E327 PolarHBondContact O-N 3.49Å; R324-E327 VanDerWaalsContact O-N 3.09Å; R324-D335 IonicContact CZ-OD2 3.92Å; R324-D335 IonicContact NE-OD2 2.72Å; R324-D335 PolarHBondContact NE-OD2 3.25Å; R324-D335 IonicContact NH2-OD2 2.81Å; R324-D335 PolarHBondContact NH2-OD2 3.09Å
325	F	98.3	Very high	96.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.6	-167.7	60.2	-94.2	0	0	0	114.6	L317 N319 E323 E327 R328 Y329 M346 E349 V363	L317-F325 HydrophobicContact CB-CE1 3.75Å; L317-F325 HydrophobicContact CB-CE2 4.39Å; L317-F325 HydrophobicContact CB-CZ 3.55Å; L317-F325 HydrophobicContact CD1-CZ 4.19Å; L317-F325 HydrophobicContact CG-CZ 4.45Å; N319-F325 HydrophobicContact CB-CD1 3.96Å; N319-F325 HydrophobicContact CB-CE1 4.44Å; E323-F325 HydrophobicContact CG-CB 4.4Å; E323-F325 PolarHBondContact O-N 2.95Å; F325-E327 PolarHBondContact O-N 2.8Å; F325-R328 WeakPolarHBondContact O-CB 3.42Å; F325-R328 PolarHBondContact O-N 3.45Å; F325-Y329 HydrophobicContact CB-CD2 4.46Å; F325-Y329 HydrophobicContact CB-CE2 4.25Å; F325-Y329 AromaticContact CD2-CD2 3.96Å; F325-Y329 HydrophobicContact CD2-CD2 3.96Å; F325-Y329 HydrophobicContact CD2-CE2 4.03Å; F325-Y329 VanDerWaalsContact O-CD2 3.25Å; F325-Y329 WeakPolarHBondContact O-CD2 3.4Å; F325-Y329 PolarHBondContact O-N 2.98Å; F325-M346 HydrophobicContact CE2-CG 4.06Å; F325-M346 HydrophobicContact CZ-CG 3.88Å; F325-E349 HydrophobicContact CB-CG 4.14Å; F325-E349 HydrophobicContact CD1-CG 4.11Å; F325-E349 HydrophobicContact CD2-CG 3.74Å; F325-E349 HydrophobicContact CE1-CG 4.47Å; F325-E349 HydrophobicContact CE2-CG 4.14Å; F325-E349 HydrophobicContact CG-CG 3.73Å; F325-E349 HydrophobicContact CZ-CG 4.48Å; F325-V363 HydrophobicContact CE1-CB 4.49Å; F325-V363 HydrophobicContact CE1-CG1 4.47Å; F325-V363 HydrophobicContact CZ-CG2 4.41Å
326	M	98.3	Very high	96.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-20.9	178.3	-73.7	-55	-49.6	0	0	113.8	L317 R324 R328 Y329 A330 K334 A337 V342	L317-M326 HydrophobicContact CD1-CG 4.15Å; R324-M326 PolarHBondContact O-N 3.39Å; M326-R328 PolarHBondContact O-N 2.92Å; M326-Y329 PolarHBondContact O-N 3.12Å; M326-A330 HydrophobicContact CE-CB 3.95Å; M326-A330 CarbonylContact O-C 3.48Å; M326-A330 PolarHBondContact O-N 3.5Å; M326-K334 WeakPolarHBondContact CE-O 3.31Å; M326-A337 HydrophobicContact CE-CB 4.2Å; M326-V342 HydrophobicContact CE-CB 4.41Å; M326-V342 HydrophobicContact CE-CG2 3.88Å; M326-V342 HydrophobicContact SD-CB 4.42Å; M326-V342 HydrophobicContact SD-CG1 4.07Å; M326-V342 HydrophobicContact SD-CG2 4.42Å
327	E	97.3	Very high	96.5	Very high	94 Å²	94	48 Å²	48	44%	0.439	25%	0.249	S	C	.	.	H	α-helix	trans	-64.3	-27.3	172.2	-63	-169	159.5	0	0	112.6	R324 F325 P331 K334	R324-E327 WeakPolarHBondContact CD-OE1 3.44Å; R324-E327 HydrophobicContact CG-CG 4.18Å; R324-E327 IonicContact CZ-OE1 3.62Å; R324-E327 IonicContact NE-OE1 3.75Å; R324-E327 IonicContact NH1-OE1 3.62Å; R324-E327 PolarHBondContact NH1-OE1 2.94Å; R324-E327 PolarHBondContact O-N 3.49Å; R324-E327 VanDerWaalsContact O-N 3.09Å; F325-E327 PolarHBondContact O-N 2.8Å; E327-P331 WeakPolarHBondContact O-CA 3.34Å; E327-K334 HydrophobicContact CG-CD 3.88Å; E327-K334 HydrophobicContact CG-CG 4.1Å
328	R	97.4	Very high	96.3	Very high	112 Å²	112	48 Å²	48	42%	0.423	25%	0.25	S	C	.	.	H	α-helix	trans	-82.3	-40.6	176.2	176.7	163.8	49.7	80.8	-1.4	112.5	E323 F325 M326 E349	E323-R328 IonicContact OE1-CZ 2.76Å; E323-R328 IonicContact OE1-NE 3.68Å; E323-R328 PolarHBondContact OE1-NE 3.47Å; E323-R328 IonicContact OE1-NH2 3.24Å; E323-R328 PolarHBondContact OE1-NH2 3.3Å; E323-R328 IonicContact OE2-NH2 3.26Å; E323-R328 PolarHBondContact OE2-NH2 3.09Å; F325-R328 WeakPolarHBondContact O-CB 3.42Å; F325-R328 PolarHBondContact O-N 3.45Å; M326-R328 PolarHBondContact O-N 2.92Å; R328-E349 IonicContact CZ-OE1 3.53Å; R328-E349 IonicContact NH1-OE1 2.74Å; R328-E349 IonicContact NH2-OE1 3.2Å; R328-E349 PolarHBondContact NH2-OE1 3.49Å; R328-E349 IonicContact NH2-OE2 2.9Å
329	Y	95.8	Very high	96.3	Very high	61 Å²	61	47.7 Å²	47.7	24%	0.239	25%	0.247	C	C	.	.	H	α-helix	trans	-81.5	-32.8	-176.5	-69.4	-78.4	0	0	0	114.1	F325 M326 S345 I348 E349	F325-Y329 HydrophobicContact CB-CD2 4.46Å; F325-Y329 HydrophobicContact CB-CE2 4.25Å; F325-Y329 AromaticContact CD2-CD2 3.96Å; F325-Y329 HydrophobicContact CD2-CD2 3.96Å; F325-Y329 HydrophobicContact CD2-CE2 4.03Å; F325-Y329 VanDerWaalsContact O-CD2 3.25Å; F325-Y329 WeakPolarHBondContact O-CD2 3.4Å; F325-Y329 PolarHBondContact O-N 2.98Å; M326-Y329 PolarHBondContact O-N 3.12Å; Y329-S345 WeakPolarHBondContact CB-OG 3.24Å; Y329-I348 HydrophobicContact CE1-CD1 4.18Å; Y329-I348 HydrophobicContact CE1-CG2 4.47Å; Y329-I348 VanDerWaalsContact OH-CG2 3.29Å; Y329-I348 WeakPolarHBondContact OH-CG2 3.06Å; Y329-E349 HydrophobicContact CE2-CG 4.21Å; Y329-E349 WeakPolarHBondContact CE2-OE1 3.37Å; Y329-E349 PolarHBondContact OH-OE1 3.32Å
330	A	95.8	Very high	96	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.			trans	-140.5	79.2	-179.1	0	0	0	0	0	110.5	M326 N332 K334 A337 Y665	M326-A330 HydrophobicContact CE-CB 3.95Å; M326-A330 CarbonylContact O-C 3.48Å; M326-A330 PolarHBondContact O-N 3.5Å; A330-N332 VanDerWaalsContact C-N 3.27Å; A330-N332 PolarHBondContact O-N 3.16Å; A330-N332 VanDerWaalsContact O-N 3.15Å; A330-K334 WeakPolarHBondContact O-CA 3.38Å; A330-K334 PolarHBondContact O-N 3.14Å; A330-A337 HydrophobicContact CB-CB 3.67Å; A330-Y665 CarbonylContact C-O 3.22Å; A330-Y665 WeakPolarHBondContact CA-O 3.44Å; A330-Y665 WeakPolarHBondContact CB-O 3.41Å
331	P	93.1	Very high	95.9	Very high	77 Å²	77	46.5 Å²	46.5	50%	0.5	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.9	-169.4	-28.3	36.1	0	0	0	115	E327 K334	E327-P331 WeakPolarHBondContact O-CA 3.34Å; P331-K334 PolarHBondContact O-NZ 2.94Å
332	N	90.8	Very high	96	Very high	138 Å²	138	39.8 Å²	39.8	74%	0.738	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-56.3	-178.8	-44.2	-61.1	0	0	0	111.1	A330 Y665	A330-N332 VanDerWaalsContact C-N 3.27Å; A330-N332 PolarHBondContact O-N 3.16Å; A330-N332 VanDerWaalsContact O-N 3.15Å; N332-Y665 VanDerWaalsContact CB-OXT 3.24Å; N332-Y665 WeakPolarHBondContact CB-OXT 3.45Å
333	A	90.9	Very high	96	Very high	23 Å²	23	37.5 Å²	37.5	19%	0.19	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-21.5	-173.9	0	0	0	0	0	114.8	D335 L336 A337 Y665	A333-D335 PolarHBondContact O-N 3.35Å; A333-L336 CarbonylContact O-C 3.51Å; A333-L336 WeakPolarHBondContact O-CA 3.45Å; A333-L336 WeakPolarHBondContact O-CB 3.17Å; A333-L336 PolarHBondContact O-N 3.12Å; A333-A337 HydrophobicContact CB-CB 4.1Å; A333-Y665 HydrophobicContact CB-CD1 4.38Å; A333-Y665 WeakPolarHBondContact CB-OXT 3.42Å; A333-Y665 PolarHBondContact N-OXT 3.05Å
334	K	97.1	Very high	96	Very high	65 Å²	65	36.9 Å²	36.9	28%	0.283	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	50.4	-127.9	-178.1	-55.8	175.4	175.5	57.1	0	110.9	M326 E327 A330 P331 L336 A337	M326-K334 WeakPolarHBondContact CE-O 3.31Å; E327-K334 HydrophobicContact CG-CD 3.88Å; E327-K334 HydrophobicContact CG-CG 4.1Å; A330-K334 WeakPolarHBondContact O-CA 3.38Å; A330-K334 PolarHBondContact O-N 3.14Å; P331-K334 PolarHBondContact O-NZ 2.94Å; K334-L336 PolarHBondContact O-N 3.45Å; K334-L336 VanDerWaalsContact O-N 3.12Å; K334-A337 WeakPolarHBondContact O-CB 3.47Å; K334-A337 PolarHBondContact O-N 3.31Å
335	D	96	Very high	96	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.011	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-62.9	-14.5	178.9	-51.4	-91.5	0	0	0	113.7	R311 L317 R324 A333	R311-D335 HydrophobicContact CB-CB 4.27Å; R311-D335 WeakPolarHBondContact CD-O 3.37Å; R311-D335 HydrophobicContact CG-CB 4.09Å; R311-D335 PolarHBondContact NH1-O 3.29Å; L317-D335 PolarHBondContact N-OD1 3.37Å; R324-D335 IonicContact CZ-OD2 3.92Å; R324-D335 IonicContact NE-OD2 2.72Å; R324-D335 PolarHBondContact NE-OD2 3.25Å; R324-D335 IonicContact NH2-OD2 2.81Å; R324-D335 PolarHBondContact NH2-OD2 3.09Å; A333-D335 PolarHBondContact O-N 3.35Å
336	L	96.3	Very high	96	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.115	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-99.3	17.4	175.3	-64.9	177.9	0	0	0	113.1	A171 G173 G174 Q184 R311 A333 K334	A171-L336 HydrophobicContact CB-CD1 4.05Å; G173-L336 CarbonylContact C-O 3.59Å; G173-L336 VanDerWaalsContact CA-O 3.26Å; G173-L336 WeakPolarHBondContact CA-O 3.45Å; G174-L336 PolarHBondContact N-O 3.1Å; Q184-L336 HydrophobicContact CG-CD1 4.28Å; R311-L336 HydrophobicContact CB-CD2 4.01Å; A333-L336 CarbonylContact O-C 3.51Å; A333-L336 WeakPolarHBondContact O-CA 3.45Å; A333-L336 WeakPolarHBondContact O-CB 3.17Å; A333-L336 PolarHBondContact O-N 3.12Å; K334-L336 PolarHBondContact O-N 3.45Å; K334-L336 VanDerWaalsContact O-N 3.12Å
337	A	96	Very high	95.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-60.8	170.9	163.8	0	0	0	0	0	111.7	M326 A330 A333 K334 V341 V342 Y665	M326-A337 HydrophobicContact CE-CB 4.2Å; A330-A337 HydrophobicContact CB-CB 3.67Å; A333-A337 HydrophobicContact CB-CB 4.1Å; K334-A337 WeakPolarHBondContact O-CB 3.47Å; K334-A337 PolarHBondContact O-N 3.31Å; A337-V341 HydrophobicContact CB-CB 4.44Å; A337-V341 HydrophobicContact CB-CG1 4.23Å; A337-V342 HydrophobicContact CB-CG2 3.94Å; A337-Y665 HydrophobicContact CB-CG 4.32Å
338	S	94.8	Very high	95.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.007	16%	0.161	C	C	.	.			trans	-63	149.1	176.7	66.1	0	0	0	0	112	D340 V341 V342 R663 Y665	S338-D340 VanDerWaalsContact C-N 3.27Å; S338-D340 WeakPolarHBondContact CB-OD1 2.89Å; S338-D340 PolarHBondContact O-N 2.77Å; S338-D340 PolarHBondContact OG-OD1 2.99Å; S338-V341 PolarHBondContact O-N 2.94Å; S338-V341 VanDerWaalsContact OG-CG2 3.31Å; S338-V341 WeakPolarHBondContact OG-CG2 3.44Å; S338-V342 WeakPolarHBondContact O-CG2 3.23Å; S338-V342 PolarHBondContact O-N 2.84Å; S338-R663 VanDerWaalsContact CB-NH2 3.28Å; S338-R663 PolarHBondContact OG-NH2 2.75Å; S338-R663 VanDerWaalsContact OG-NH2 3.1Å; S338-Y665 WeakPolarHBondContact OG-CE2 3.47Å
339	R	97.2	Very high	95.9	Very high	11 Å²	11	26.8 Å²	26.8	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-57	-37.7	-173.8	-70.6	171.6	177.1	-153.2	-14.7	113.8	Q293 H295 P296 E308 S343 H406 G454	Q293-R339 VanDerWaalsContact CD-CD 3.45Å; Q293-R339 VanDerWaalsContact OE1-CD 3.27Å; H295-R339 PolarHBondContact NE2-NH2 3.49Å; P296-R339 HydrophobicContact CG-CB 4.35Å; P296-R339 HydrophobicContact CG-CG 4.39Å; E308-R339 IonicContact OE1-CZ 3.43Å; E308-R339 IonicContact OE1-NE 3.35Å; E308-R339 PolarHBondContact OE1-NE 3.06Å; E308-R339 IonicContact OE1-NH2 3.78Å; E308-R339 PolarHBondContact OE1-NH2 3.41Å; E308-R339 WeakPolarHBondContact OE2-CG 3.41Å; E308-R339 IonicContact OE2-NE 2.7Å; R339-S343 VanDerWaalsContact O-CB 3.23Å; R339-S343 WeakPolarHBondContact O-CB 3.22Å; R339-S343 PolarHBondContact O-N 2.83Å; R339-S343 PolarHBondContact O-OG 3.03Å; R339-H406 PolarHBondContact NH1-CD2 2.76Å; R339-H406 PolarHBondContact NH1-NE2 3.2Å; R339-G454 VanDerWaalsContact CZ-CA 3.5Å; R339-G454 VanDerWaalsContact NH2-CA 3.33Å
340	D	92.5	Very high	96	Very high	9 Å²	9	25.6 Å²	25.6	5%	0.048	14%	0.138	C	C	.	.	H	α-helix	trans	-64.3	-40.5	177	65.6	-62	0	0	0	112	S338 R344 N451 A592 R663	S338-D340 VanDerWaalsContact C-N 3.27Å; S338-D340 WeakPolarHBondContact CB-OD1 2.89Å; S338-D340 PolarHBondContact O-N 2.77Å; S338-D340 PolarHBondContact OG-OD1 2.99Å; D340-R344 WeakPolarHBondContact O-CB 3.28Å; D340-R344 WeakPolarHBondContact O-CG 3.42Å; D340-R344 PolarHBondContact O-N 2.97Å; D340-R344 VanDerWaalsContact O-N 3.08Å; D340-R344 PolarHBondContact O-NH1 3.45Å; D340-R344 IonicContact OD2-CZ 3.89Å; D340-R344 IonicContact OD2-NH1 3.52Å; D340-R344 PolarHBondContact OD2-NH1 3.36Å; D340-R344 IonicContact OD2-NH2 2.79Å; D340-R344 PolarHBondContact OD2-NH2 2.98Å; D340-N451 HydrophobicContact CB-CB 4.4Å; D340-N451 VanDerWaalsContact OD1-CG 3.26Å; D340-N451 PolarHBondContact OD1-ND2 2.85Å; D340-N451 PolarHBondContact OD1-OD1 3Å; D340-A592 HydrophobicContact CB-CB 4.49Å; D340-R663 IonicContact OD1-CZ 2.67Å; D340-R663 IonicContact OD1-NH1 2.75Å; D340-R663 PolarHBondContact OD1-NH1 3.19Å; D340-R663 IonicContact OD1-NH2 3.33Å; D340-R663 PolarHBondContact OD1-NH2 3.11Å; D340-R663 IonicContact OD2-CZ 3.17Å; D340-R663 IonicContact OD2-NH1 3.48Å; D340-R663 PolarHBondContact OD2-NH1 3.24Å; D340-R663 IonicContact OD2-NH2 3.75Å
341	V	96.8	Very high	95.9	Very high	27 Å²	27	32.5 Å²	32.5	16%	0.164	16%	0.164	C	C	.	.	H	α-helix	trans	-68.5	-48.2	177.1	172.9	0	0	0	0	110.7	A337 S338 S343 R344 S345 Y665	A337-V341 HydrophobicContact CB-CB 4.44Å; A337-V341 HydrophobicContact CB-CG1 4.23Å; S338-V341 PolarHBondContact O-N 2.94Å; S338-V341 VanDerWaalsContact OG-CG2 3.31Å; S338-V341 WeakPolarHBondContact OG-CG2 3.44Å; V341-S343 PolarHBondContact O-N 2.78Å; V341-R344 PolarHBondContact O-N 2.79Å; V341-S345 WeakPolarHBondContact O-CB 3.49Å; V341-S345 PolarHBondContact O-N 3.38Å; V341-S345 PolarHBondContact O-OG 3.43Å; V341-Y665 HydrophobicContact CG2-CD2 4.39Å
342	V	98.3	Very high	96	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-45.8	179.5	-176.4	0	0	0	0	110.4	P296 L317 M326 A337 S338 R344 S345 M346	P296-V342 HydrophobicContact CB-CB 4.21Å; P296-V342 HydrophobicContact CB-CG1 3.68Å; P296-V342 HydrophobicContact CG-CB 3.79Å; P296-V342 HydrophobicContact CG-CG1 3.82Å; L317-V342 HydrophobicContact CD1-CG1 3.48Å; L317-V342 VanDerWaalsContact CD1-CG1 3.48Å; M326-V342 HydrophobicContact CE-CB 4.41Å; M326-V342 HydrophobicContact CE-CG2 3.88Å; M326-V342 HydrophobicContact SD-CB 4.42Å; M326-V342 HydrophobicContact SD-CG1 4.07Å; M326-V342 HydrophobicContact SD-CG2 4.42Å; A337-V342 HydrophobicContact CB-CG2 3.94Å; S338-V342 WeakPolarHBondContact O-CG2 3.23Å; S338-V342 PolarHBondContact O-N 2.84Å; V342-R344 PolarHBondContact O-N 3.45Å; V342-S345 WeakPolarHBondContact O-CB 3.32Å; V342-S345 PolarHBondContact O-N 2.87Å; V342-M346 HydrophobicContact CG1-CG 4.38Å; V342-M346 HydrophobicContact CG1-SD 4.02Å; V342-M346 VanDerWaalsContact O-CG 3.29Å; V342-M346 WeakPolarHBondContact O-CG 3.41Å; V342-M346 PolarHBondContact O-N 2.9Å
343	S	98	Very high	96.3	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-63.5	-40.7	-179.8	-61.4	0	0	0	0	112.8	F294 R339 V341 T347 P403	F294-S343 PolarHBondContact O-OG 3Å; R339-S343 VanDerWaalsContact O-CB 3.23Å; R339-S343 WeakPolarHBondContact O-CB 3.22Å; R339-S343 PolarHBondContact O-N 2.83Å; R339-S343 PolarHBondContact O-OG 3.03Å; V341-S343 PolarHBondContact O-N 2.78Å; S343-T347 WeakPolarHBondContact O-CB 3.35Å; S343-T347 PolarHBondContact O-N 3.04Å; S343-T347 PolarHBondContact O-OG1 3.43Å; S343-P403 WeakPolarHBondContact O-CG 3.45Å
344	R	97.5	Very high	96.6	Very high	51 Å²	51	30 Å²	30	19%	0.192	14%	0.144	C	C	.	.	H	α-helix	trans	-62.5	-45	172.7	-80.2	-169.9	-63.8	-86	1.4	111.6	D340 V341 V342 T347 I348 V526 F527 G591	D340-R344 WeakPolarHBondContact O-CB 3.28Å; D340-R344 WeakPolarHBondContact O-CG 3.42Å; D340-R344 PolarHBondContact O-N 2.97Å; D340-R344 VanDerWaalsContact O-N 3.08Å; D340-R344 PolarHBondContact O-NH1 3.45Å; D340-R344 IonicContact OD2-CZ 3.89Å; D340-R344 IonicContact OD2-NH1 3.52Å; D340-R344 PolarHBondContact OD2-NH1 3.36Å; D340-R344 IonicContact OD2-NH2 2.79Å; D340-R344 PolarHBondContact OD2-NH2 2.98Å; V341-R344 PolarHBondContact O-N 2.79Å; V342-R344 PolarHBondContact O-N 3.45Å; R344-T347 PolarHBondContact O-N 2.85Å; R344-I348 VanDerWaalsContact O-CG1 3.31Å; R344-I348 WeakPolarHBondContact O-CG1 3.49Å; R344-I348 PolarHBondContact O-N 3.49Å; R344-V526 HydrophobicContact CG-CG1 3.81Å; R344-F527 HydrophobicContact CB-CE1 4.47Å; R344-F527 HydrophobicContact CB-CE2 4.25Å; R344-F527 HydrophobicContact CB-CZ 3.75Å; R344-F527 HydrophobicContact CG-CE1 4.02Å; R344-F527 HydrophobicContact CG-CE2 4.26Å; R344-F527 HydrophobicContact CG-CZ 3.72Å; R344-G591 PolarHBondContact NH1-O 3.49Å
345	S	97.9	Very high	96.6	Very high	4 Å²	4	27 Å²	27	3%	0.028	13%	0.131	C	C	.	.	H	α-helix	trans	-60.5	-48.4	-179.7	-54.1	0	0	0	0	111.2	Y329 V341 V342 T347 I348 E349	Y329-S345 WeakPolarHBondContact CB-OG 3.24Å; V341-S345 WeakPolarHBondContact O-CB 3.49Å; V341-S345 PolarHBondContact O-N 3.38Å; V341-S345 PolarHBondContact O-OG 3.43Å; V342-S345 WeakPolarHBondContact O-CB 3.32Å; V342-S345 PolarHBondContact O-N 2.87Å; S345-T347 VanDerWaalsContact C-N 3.3Å; S345-T347 PolarHBondContact O-N 3.02Å; S345-I348 PolarHBondContact O-N 3.41Å; S345-I348 VanDerWaalsContact O-N 3.17Å; S345-E349 WeakPolarHBondContact O-CG 3.3Å; S345-E349 PolarHBondContact O-N 3.05Å
346	M	98.4	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.5	-42.9	174.1	-66.1	170.7	80.6	0	0	112.2	P296 L317 F325 V342 I348 E349 I350 V363 V401 P403	P296-M346 HydrophobicContact CB-SD 3.66Å; P296-M346 WeakPolarHBondContact O-CE 3.39Å; P296-M346 VanDerWaalsContact O-SD 3.37Å; L317-M346 HydrophobicContact CD1-CG 4.17Å; L317-M346 HydrophobicContact CD1-SD 3.96Å; L317-M346 HydrophobicContact CD2-CE 4.18Å; F325-M346 HydrophobicContact CE2-CG 4.06Å; F325-M346 HydrophobicContact CZ-CG 3.88Å; V342-M346 HydrophobicContact CG1-CG 4.38Å; V342-M346 HydrophobicContact CG1-SD 4.02Å; V342-M346 VanDerWaalsContact O-CG 3.29Å; V342-M346 WeakPolarHBondContact O-CG 3.41Å; V342-M346 PolarHBondContact O-N 2.9Å; M346-I348 VanDerWaalsContact C-N 3.34Å; M346-I348 PolarHBondContact O-N 3.44Å; M346-E349 PolarHBondContact O-N 2.87Å; M346-I350 WeakPolarHBondContact O-CD1 3.38Å; M346-I350 WeakPolarHBondContact O-CG1 3.43Å; M346-I350 PolarHBondContact O-N 2.96Å; M346-I350 VanDerWaalsContact O-N 3.1Å; M346-V363 HydrophobicContact CE-CG2 3.22Å; M346-V363 HydrophobicContact CG-CG2 4.2Å; M346-V401 HydrophobicContact CE-CG2 3.94Å; M346-P403 HydrophobicContact CB-CG 3.85Å; M346-P403 HydrophobicContact CE-CG 4.5Å; M346-P403 HydrophobicContact SD-CG 4.1Å
347	T	97.1	Very high	96.6	Very high	27 Å²	27	27.5 Å²	27.5	17%	0.166	14%	0.142	C	C	.	.	H	α-helix	trans	-67.2	-35.6	179.3	-54.2	0	0	0	0	111.8	S343 R344 S345 R351 F527	S343-T347 WeakPolarHBondContact O-CB 3.35Å; S343-T347 PolarHBondContact O-N 3.04Å; S343-T347 PolarHBondContact O-OG1 3.43Å; R344-T347 PolarHBondContact O-N 2.85Å; S345-T347 VanDerWaalsContact C-N 3.3Å; S345-T347 PolarHBondContact O-N 3.02Å; T347-R351 HydrophobicContact CG2-CG 4.46Å; T347-R351 WeakPolarHBondContact O-CB 3.47Å; T347-R351 VanDerWaalsContact O-CG 3.28Å; T347-R351 WeakPolarHBondContact O-CG 3.34Å; T347-R351 PolarHBondContact O-N 3.31Å; T347-F527 HydrophobicContact CG2-CD2 3.69Å; T347-F527 HydrophobicContact CG2-CE2 3.92Å
348	I	96.5	Very high	96.5	Very high	43 Å²	43	33.8 Å²	33.8	22%	0.221	18%	0.182	C	C	.	.	H	α-helix	trans	-64.6	-48.2	173.7	-68.6	164.2	0	0	0	110.1	Y329 R344 S345 M346 I350 R351 E352 F527	Y329-I348 HydrophobicContact CE1-CD1 4.18Å; Y329-I348 HydrophobicContact CE1-CG2 4.47Å; Y329-I348 VanDerWaalsContact OH-CG2 3.29Å; Y329-I348 WeakPolarHBondContact OH-CG2 3.06Å; R344-I348 VanDerWaalsContact O-CG1 3.31Å; R344-I348 WeakPolarHBondContact O-CG1 3.49Å; R344-I348 PolarHBondContact O-N 3.49Å; S345-I348 PolarHBondContact O-N 3.41Å; S345-I348 VanDerWaalsContact O-N 3.17Å; M346-I348 VanDerWaalsContact C-N 3.34Å; M346-I348 PolarHBondContact O-N 3.44Å; I348-I350 VanDerWaalsContact C-N 3.28Å; I348-I350 PolarHBondContact O-N 3Å; I348-R351 PolarHBondContact O-N 2.77Å; I348-E352 HydrophobicContact CG2-CG 4.12Å; I348-E352 WeakPolarHBondContact CG2-OE1 3.33Å; I348-E352 WeakPolarHBondContact O-CB 3.49Å; I348-E352 WeakPolarHBondContact O-CG 3.22Å; I348-E352 PolarHBondContact O-N 2.75Å; I348-F527 HydrophobicContact CD1-CE2 4.44Å; I348-F527 HydrophobicContact CD1-CZ 3.86Å; I348-F527 HydrophobicContact CG1-CE2 3.81Å; I348-F527 HydrophobicContact CG1-CZ 3.7Å
349	E	98.1	Very high	96.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-54.6	-44.7	177.5	-70	-62.9	117.5	0	0	112.3	N319 F325 R328 Y329 S345 M346 G353 R354	N319-E349 PolarHBondContact ND2-OE2 2.88Å; F325-E349 HydrophobicContact CB-CG 4.14Å; F325-E349 HydrophobicContact CD1-CG 4.11Å; F325-E349 HydrophobicContact CD2-CG 3.74Å; F325-E349 HydrophobicContact CE1-CG 4.47Å; F325-E349 HydrophobicContact CE2-CG 4.14Å; F325-E349 HydrophobicContact CG-CG 3.73Å; F325-E349 HydrophobicContact CZ-CG 4.48Å; R328-E349 IonicContact CZ-OE1 3.53Å; R328-E349 IonicContact NH1-OE1 2.74Å; R328-E349 IonicContact NH2-OE1 3.2Å; R328-E349 PolarHBondContact NH2-OE1 3.49Å; R328-E349 IonicContact NH2-OE2 2.9Å; Y329-E349 HydrophobicContact CE2-CG 4.21Å; Y329-E349 WeakPolarHBondContact CE2-OE1 3.37Å; Y329-E349 PolarHBondContact OH-OE1 3.32Å; S345-E349 WeakPolarHBondContact O-CG 3.3Å; S345-E349 PolarHBondContact O-N 3.05Å; M346-E349 PolarHBondContact O-N 2.87Å; E349-G353 PolarHBondContact O-N 3.09Å; E349-R354 WeakPolarHBondContact O-CA 3.23Å; E349-R354 WeakPolarHBondContact O-CB 3.32Å; E349-R354 PolarHBondContact O-N 3.36Å; E349-R354 IonicContact OE1-CZ 3.58Å; E349-R354 IonicContact OE1-NE 3.62Å; E349-R354 PolarHBondContact OE1-NE 3.12Å; E349-R354 IonicContact OE1-NH2 3.56Å; E349-R354 PolarHBondContact OE1-NH2 3.32Å; E349-R354 IonicContact OE2-CZ 2.8Å; E349-R354 IonicContact OE2-NE 2.74Å; E349-R354 PolarHBondContact OE2-NE 3.18Å; E349-R354 IonicContact OE2-NH2 3.7Å
350	I	96.2	Very high	96.5	Very high	35 Å²	35	44.2 Å²	44.2	18%	0.179	23%	0.234	C	C	.	.	I	π-helix	trans	-64.3	-49.8	177.3	-67.7	162	0	0	0	110.8	M346 I348 E352 G353 V363	M346-I350 WeakPolarHBondContact O-CD1 3.38Å; M346-I350 WeakPolarHBondContact O-CG1 3.43Å; M346-I350 PolarHBondContact O-N 2.96Å; M346-I350 VanDerWaalsContact O-N 3.1Å; I348-I350 VanDerWaalsContact C-N 3.28Å; I348-I350 PolarHBondContact O-N 3Å; I350-E352 VanDerWaalsContact C-N 3.27Å; I350-E352 PolarHBondContact O-N 2.79Å; I350-G353 PolarHBondContact O-N 3.3Å; I350-V363 HydrophobicContact CD1-CG1 4.4Å; I350-V363 HydrophobicContact CG1-CG1 4.06Å
351	R	94.3	Very high	96.6	Very high	146 Å²	146	46.3 Å²	46.3	55%	0.551	25%	0.245	S	C	*	.	I	π-helix	trans	-63.5	-31.2	-179.2	-75.3	174.7	70.3	-170.4	5.1	113.3	T347 I348 G353 E596	T347-R351 HydrophobicContact CG2-CG 4.46Å; T347-R351 WeakPolarHBondContact O-CB 3.47Å; T347-R351 VanDerWaalsContact O-CG 3.28Å; T347-R351 WeakPolarHBondContact O-CG 3.34Å; T347-R351 PolarHBondContact O-N 3.31Å; I348-R351 PolarHBondContact O-N 2.77Å; R351-G353 PolarHBondContact O-N 3.39Å; R351-E596 IonicContact CZ-OE1 3.4Å; R351-E596 IonicContact NH1-OE1 3.96Å; R351-E596 PolarHBondContact NH1-OE1 2.85Å; R351-E596 IonicContact NH1-OE2 2.73Å; R351-E596 IonicContact NH2-OE1 3.6Å; R351-E596 PolarHBondContact NH2-OE1 3.18Å; R351-E596 IonicContact NH2-OE2 3.7Å; R351-E596 PolarHBondContact NH2-OE2 3.44Å
352	E	96.2	Very high	96.7	Very high	115 Å²	115	45.5 Å²	45.5	54%	0.537	24%	0.239	S	C	.	.	I	π-helix	trans	-84.6	10.5	177.1	-66	-175.9	-171.3	0	0	113	I348 I350 R354	I348-E352 HydrophobicContact CG2-CG 4.12Å; I348-E352 WeakPolarHBondContact CG2-OE1 3.33Å; I348-E352 WeakPolarHBondContact O-CB 3.49Å; I348-E352 WeakPolarHBondContact O-CG 3.22Å; I348-E352 PolarHBondContact O-N 2.75Å; I350-E352 VanDerWaalsContact C-N 3.27Å; I350-E352 PolarHBondContact O-N 2.79Å; E352-R354 VanDerWaalsContact CB-NH1 3.3Å; E352-R354 IonicContact OE2-CZ 3.54Å; E352-R354 IonicContact OE2-NH1 2.76Å; E352-R354 PolarHBondContact OE2-NH1 3.47Å; E352-R354 IonicContact OE2-NH2 3.12Å; E352-R354 PolarHBondContact OE2-NH2 2.78Å
353	G	96.3	Very high	96.7	Very high	32 Å²	32	45.5 Å²	45.5	33%	0.33	24%	0.239	S	C	.	.	I	π-helix	trans	82	10.7	171.3	0	0	0	0	0	115.1	E349 I350 R351 K360	E349-G353 PolarHBondContact O-N 3.09Å; I350-G353 PolarHBondContact O-N 3.3Å; R351-G353 PolarHBondContact O-N 3.39Å; G353-K360 PolarHBondContact O-NZ 3.48Å
354	R	97.8	Very high	96.7	Very high	38 Å²	38	48.9 Å²	48.9	14%	0.143	25%	0.252	C	S	.	.	I	π-helix	trans	-96.2	8.9	177.5	-63.2	-174.7	-62	-81.5	-0.4	113.3	N319 S320 E349 E352	N319-R354 HydrophobicContact CB-CB 4.31Å; N319-R354 WeakPolarHBondContact CB-O 3.31Å; S320-R354 WeakPolarHBondContact CB-O 3.48Å; S320-R354 PolarHBondContact N-O 3.04Å; S320-R354 WeakPolarHBondContact OG-CA 3.3Å; S320-R354 PolarHBondContact OG-O 3.48Å; E349-R354 WeakPolarHBondContact O-CA 3.23Å; E349-R354 WeakPolarHBondContact O-CB 3.32Å; E349-R354 PolarHBondContact O-N 3.36Å; E349-R354 IonicContact OE1-CZ 3.58Å; E349-R354 IonicContact OE1-NE 3.62Å; E349-R354 PolarHBondContact OE1-NE 3.12Å; E349-R354 IonicContact OE1-NH2 3.56Å; E349-R354 PolarHBondContact OE1-NH2 3.32Å; E349-R354 IonicContact OE2-CZ 2.8Å; E349-R354 IonicContact OE2-NE 2.74Å; E349-R354 PolarHBondContact OE2-NE 3.18Å; E349-R354 IonicContact OE2-NH2 3.7Å; E352-R354 VanDerWaalsContact CB-NH1 3.3Å; E352-R354 IonicContact OE2-CZ 3.54Å; E352-R354 IonicContact OE2-NH1 2.76Å; E352-R354 PolarHBondContact OE2-NH1 3.47Å; E352-R354 IonicContact OE2-NH2 3.12Å; E352-R354 PolarHBondContact OE2-NH2 2.78Å
355	G	97.1	Very high	96.8	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.01	24%	0.243	C	C	.	.			trans	-64.1	158	169.9	0	0	0	0	0	113.4	S320 K360 H362	S320-G355 WeakPolarHBondContact CB-O 3.41Å; S320-G355 PolarHBondContact OG-O 3.43Å; G355-K360 WeakPolarHBondContact CA-O 3.49Å; G355-H362 CarbonylContact C-O 3.54Å; G355-H362 VanDerWaalsContact CA-O 3.23Å; G355-H362 WeakPolarHBondContact CA-O 3.41Å
356	V	96.3	Very high	96.8	Very high	6 Å²	6	48 Å²	48	4%	0.036	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-101.2	172.3	-177	-47.4	0	0	0	0	111.7	K360 D361 H362 Y364	V356-K360 VanDerWaalsContact O-CA 3.28Å; V356-K360 WeakPolarHBondContact O-CA 3.5Å; V356-K360 PolarHBondContact O-N 3.11Å; V356-D361 PolarHBondContact O-N 2.87Å; V356-H362 WeakPolarHBondContact CG2-CD2 3.25Å; V356-H362 WeakPolarHBondContact CG2-NE2 3.44Å; V356-H362 PolarHBondContact N-O 2.78Å; V356-H362 PolarHBondContact O-CE1 3.4Å; V356-H362 PolarHBondContact O-ND1 2.9Å; V356-Y364 HydrophobicContact CB-CD2 3.92Å; V356-Y364 HydrophobicContact CB-CE2 3.61Å; V356-Y364 HydrophobicContact CG1-CD2 3.65Å; V356-Y364 HydrophobicContact CG1-CE2 3.82Å; V356-Y364 HydrophobicContact CG1-CG 4.37Å; V356-Y364 HydrophobicContact CG2-CD1 4.07Å; V356-Y364 HydrophobicContact CG2-CD2 3.81Å; V356-Y364 HydrophobicContact CG2-CE1 3.91Å; V356-Y364 HydrophobicContact CG2-CE2 3.65Å; V356-Y364 HydrophobicContact CG2-CG 3.99Å
357	G	94.7	Very high	96.8	Very high	30 Å²	30	48 Å²	48	31%	0.309	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	175.9	-177	0	0	0	0	0	113.9	D359 K360	G357-D359 VanDerWaalsContact C-N 3.26Å; G357-D359 PolarHBondContact O-N 3.24Å; G357-K360 PolarHBondContact O-N 2.99Å
358	P	94.8	Very high	96.8	Very high	131 Å²	131	49.9 Å²	49.9	85%	0.851	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-35.7	-176.3	-24.8	35	0	0	0	113.7
359	D	95.1	Very high	96.9	Very high	120 Å²	120	52 Å²	52	64%	0.642	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-0.4	-176	-61.9	-44.4	0	0	0	113.5	G357 D361	G357-D359 VanDerWaalsContact C-N 3.26Å; G357-D359 PolarHBondContact O-N 3.24Å; D359-D361 HydrophobicContact CB-CB 4.33Å; D359-D361 PolarHBondContact O-N 3.12Å
360	K	95.6	Very high	96.9	Very high	112 Å²	112	52.9 Å²	52.9	49%	0.487	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	37.9	-177.6	-63.4	-169.9	158.6	-156.2	0	114.3	G353 G355 V356 G357	G353-K360 PolarHBondContact O-NZ 3.48Å; G355-K360 WeakPolarHBondContact CA-O 3.49Å; V356-K360 VanDerWaalsContact O-CA 3.28Å; V356-K360 WeakPolarHBondContact O-CA 3.5Å; V356-K360 PolarHBondContact O-N 3.11Å; G357-K360 PolarHBondContact O-N 2.99Å
361	D	95.6	Very high	97	Very high	53 Å²	53	54.8 Å²	54.8	28%	0.283	29%	0.285	S	S	.	.			trans	-115.6	6.3	-166.2	67	-13.3	0	0	0	114.6	Y300 V356 D359	Y300-D361 VanDerWaalsContact CE2-CG 3.42Å; Y300-D361 VanDerWaalsContact CE2-OD1 3.23Å; Y300-D361 WeakPolarHBondContact CE2-OD1 3.33Å; Y300-D361 WeakPolarHBondContact CE2-OD2 3.28Å; Y300-D361 VanDerWaalsContact CZ-OD1 3.31Å; Y300-D361 VanDerWaalsContact CZ-OD2 3.24Å; Y300-D361 VanDerWaalsContact OH-CG 3.24Å; Y300-D361 PolarHBondContact OH-OD1 3.28Å; Y300-D361 PolarHBondContact OH-OD2 3.08Å; V356-D361 PolarHBondContact O-N 2.87Å; D359-D361 HydrophobicContact CB-CB 4.33Å; D359-D361 PolarHBondContact O-N 3.12Å
362	H	97.8	Very high	97.1	Very high	9 Å²	9	51.9 Å²	51.9	4%	0.042	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-143.7	-178.7	175.6	57.3	-80.9	0	0	0	111.4	Y300 G355 V356 P400 V401 L402	Y300-H362 AromaticContact CD1-CE1 3.95Å; Y300-H362 AromaticContact CD1-ND1 3.95Å; Y300-H362 HydrophobicContact CD2-CB 3.65Å; Y300-H362 AromaticContact CD2-CG 3.74Å; Y300-H362 AromaticContact CD2-ND1 3.62Å; Y300-H362 AromaticContact CE1-CE1 3.96Å; Y300-H362 AromaticContact CE1-ND1 3.94Å; Y300-H362 HydrophobicContact CE2-CB 4.22Å; Y300-H362 AromaticContact CE2-ND1 3.6Å; Y300-H362 HydrophobicContact CG-CB 4.13Å; Y300-H362 AromaticContact CG-CG 3.86Å; Y300-H362 AromaticContact CG-ND1 3.79Å; Y300-H362 AromaticContact CZ-ND1 3.75Å; G355-H362 CarbonylContact C-O 3.54Å; G355-H362 VanDerWaalsContact CA-O 3.23Å; G355-H362 WeakPolarHBondContact CA-O 3.41Å; V356-H362 WeakPolarHBondContact CG2-CD2 3.25Å; V356-H362 WeakPolarHBondContact CG2-NE2 3.44Å; V356-H362 PolarHBondContact N-O 2.78Å; V356-H362 PolarHBondContact O-CE1 3.4Å; V356-H362 PolarHBondContact O-ND1 2.9Å; H362-P400 WeakPolarHBondContact CD2-CB 3.43Å; H362-V401 WeakPolarHBondContact CB-O 3.47Å; H362-L402 HydrophobicContact CB-CB 4.35Å
363	V	98.5	Very high	97.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	176.3	172.1	-59.3	0	0	0	0	109.9	F325 M346 I350 V401	F325-V363 HydrophobicContact CE1-CB 4.49Å; F325-V363 HydrophobicContact CE1-CG1 4.47Å; F325-V363 HydrophobicContact CZ-CG2 4.41Å; M346-V363 HydrophobicContact CE-CG2 3.22Å; M346-V363 HydrophobicContact CG-CG2 4.2Å; I350-V363 HydrophobicContact CD1-CG1 4.4Å; I350-V363 HydrophobicContact CG1-CG1 4.06Å; V363-V401 HydrophobicContact CG2-CG2 4.08Å; V363-V401 PolarHBondContact N-O 2.94Å; V363-V401 WeakPolarHBondContact O-CG2 3.47Å; V363-V401 PolarHBondContact O-N 3.28Å
364	Y	98.8	Very high	97.2	Very high	73 Å²	73	54.5 Å²	54.5	29%	0.286	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139.1	-179	-80.7	-45	0	0	0	112.2	L317 I318 V356 P398 P400	L317-Y364 WeakPolarHBondContact CA-O 3.47Å; I318-Y364 VanDerWaalsContact CG1-CB 3.48Å; I318-Y364 HydrophobicContact CG1-CD2 4.48Å; I318-Y364 HydrophobicContact CG1-CG 4.49Å; I318-Y364 PolarHBondContact N-O 3.16Å; I318-Y364 PolarHBondContact O-N 3.06Å; V356-Y364 HydrophobicContact CB-CD2 3.92Å; V356-Y364 HydrophobicContact CB-CE2 3.61Å; V356-Y364 HydrophobicContact CG1-CD2 3.65Å; V356-Y364 HydrophobicContact CG1-CE2 3.82Å; V356-Y364 HydrophobicContact CG1-CG 4.37Å; V356-Y364 HydrophobicContact CG2-CD1 4.07Å; V356-Y364 HydrophobicContact CG2-CD2 3.81Å; V356-Y364 HydrophobicContact CG2-CE1 3.91Å; V356-Y364 HydrophobicContact CG2-CE2 3.65Å; V356-Y364 HydrophobicContact CG2-CG 3.99Å; Y364-P398 HydrophobicContact CD1-CB 3.85Å; Y364-P398 HydrophobicContact CD1-CG 3.6Å; Y364-P398 HydrophobicContact CD2-CG 3.97Å; Y364-P398 HydrophobicContact CE1-CG 4.07Å; Y364-P398 HydrophobicContact CE2-CG 4.4Å; Y364-P398 HydrophobicContact CG-CB 3.84Å; Y364-P398 HydrophobicContact CG-CG 3.58Å; Y364-P400 HydrophobicContact CE1-CB 4.28Å
365	L	98.8	Very high	97.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	109.2	163.8	172.8	65.2	0	0	0	108.7	T297 I306 C310 R311 L317 L367 P398 I399 V401	T297-L365 HydrophobicContact CG2-CD2 4.23Å; I306-L365 HydrophobicContact CG2-CD2 3.59Å; C310-L365 HydrophobicContact CB-CD2 3.88Å; R311-L365 HydrophobicContact CG-CD1 4.01Å; L317-L365 HydrophobicContact CD2-CB 4.2Å; L317-L365 HydrophobicContact CD2-CD1 4.13Å; L365-L367 HydrophobicContact CD1-CD2 4.42Å; L365-L367 HydrophobicContact CG-CD2 4.36Å; L365-L367 HydrophobicContact CG-CG 4.44Å; L365-P398 CarbonylContact O-C 3.49Å; L365-P398 WeakPolarHBondContact O-CA 3.42Å; L365-I399 HydrophobicContact CB-CB 4.43Å; L365-I399 HydrophobicContact CD2-CD1 4.41Å; L365-I399 PolarHBondContact N-O 2.93Å; L365-I399 PolarHBondContact O-N 2.94Å; L365-V401 HydrophobicContact CB-CG1 4.03Å; L365-V401 HydrophobicContact CB-CG2 3.87Å
366	Q	98.7	Very high	97.3	Very high	36 Å²	36	55.5 Å²	55.5	17%	0.168	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.3	-177.9	-173.6	178.1	-64.9	0	0	111.7	G315 I316 I318 H368 H369 P398	G315-Q366 WeakPolarHBondContact CA-O 3.38Å; I316-Q366 HydrophobicContact CG1-CB 3.94Å; I316-Q366 PolarHBondContact N-O 2.93Å; I316-Q366 VanDerWaalsContact N-O 3.14Å; I316-Q366 PolarHBondContact O-N 3.22Å; I318-Q366 HydrophobicContact CD1-CB 4.3Å; Q366-H368 VanDerWaalsContact CD-CE1 3.41Å; Q366-H368 WeakPolarHBondContact CG-CE1 3.41Å; Q366-H368 PolarHBondContact NE2-NE2 3.32Å; Q366-H369 PolarHBondContact NE2-ND1 3.11Å; Q366-H369 PolarHBondContact O-CE1 3.4Å; Q366-P398 HydrophobicContact CB-CB 4.31Å
367	L	98.4	Very high	97.3	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	32%	0.321	C	S	.	.			trans	-129.7	-14.2	177.9	-57.3	178.1	0	0	0	114.1	C310 L365 H369 L370 L375 I382 V394 I399	C310-L367 HydrophobicContact CB-CD1 4.35Å; C310-L367 HydrophobicContact CB-CD2 3.84Å; L365-L367 HydrophobicContact CD1-CD2 4.42Å; L365-L367 HydrophobicContact CG-CD2 4.36Å; L365-L367 HydrophobicContact CG-CG 4.44Å; L367-H369 PolarHBondContact O-N 3Å; L367-H369 VanDerWaalsContact O-N 3.1Å; L367-L370 HydrophobicContact CD2-CD1 4.38Å; L367-L370 VanDerWaalsContact O-CB 3.3Å; L367-L370 WeakPolarHBondContact O-CB 3.49Å; L367-L370 PolarHBondContact O-N 2.88Å; L367-L375 HydrophobicContact CB-CD2 4.11Å; L367-I382 HydrophobicContact CD1-CD1 3.83Å; L367-V394 HydrophobicContact CD1-CB 4.4Å; L367-I399 HydrophobicContact CD1-CD1 3.86Å
368	H	97.2	Very high	97.4	Very high	66 Å²	66	59.4 Å²	59.4	31%	0.306	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-13	-171	57.4	-122.2	0	0	0	114.7	Q366 L370 V394 T395 K396	Q366-H368 VanDerWaalsContact CD-CE1 3.41Å; Q366-H368 WeakPolarHBondContact CG-CE1 3.41Å; Q366-H368 PolarHBondContact NE2-NE2 3.32Å; H368-L370 VanDerWaalsContact C-N 3.29Å; H368-V394 WeakPolarHBondContact CA-O 3.27Å; H368-V394 PolarHBondContact N-O 3.14Å; H368-T395 VanDerWaalsContact CB-C 3.5Å; H368-T395 WeakPolarHBondContact CB-O 3.47Å; H368-K396 PolarHBondContact ND1-O 2.88Å; H368-K396 VanDerWaalsContact ND1-O 3.08Å
369	H	98.1	Very high	97.5	Very high	89 Å²	89	53.2 Å²	53.2	41%	0.412	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-15.5	171.6	62.2	-77.6	0	0	0	112.8	G314 Q366 L367	G314-H369 PolarHBondContact O-NE2 3.32Å; Q366-H369 PolarHBondContact NE2-ND1 3.11Å; Q366-H369 PolarHBondContact O-CE1 3.4Å; L367-H369 PolarHBondContact O-N 3Å; L367-H369 VanDerWaalsContact O-N 3.1Å
370	L	97.9	Very high	97.7	Very high	17 Å²	17	49 Å²	49	9%	0.089	26%	0.257	C	S	.	.	S	Bend	trans	-78.4	144.8	174.7	-58.8	179.5	0	0	0	110.2	E313 L367 H368 L375	E313-L370 HydrophobicContact CB-CD1 4.43Å; E313-L370 WeakPolarHBondContact O-CD2 3.4Å; L367-L370 HydrophobicContact CD2-CD1 4.38Å; L367-L370 VanDerWaalsContact O-CB 3.3Å; L367-L370 WeakPolarHBondContact O-CB 3.49Å; L367-L370 PolarHBondContact O-N 2.88Å; H368-L370 VanDerWaalsContact C-N 3.29Å; L370-L375 HydrophobicContact CB-CD2 4.03Å; L370-L375 HydrophobicContact CB-CG 4.25Å; L370-L375 HydrophobicContact CD1-CD2 3.94Å
371	P	98.4	Very high	97.8	Very high	75 Å²	75	44.1 Å²	44.1	49%	0.487	24%	0.238	S	C	.	.			trans	-55.7	132.9	175.5	-25.6	34.5	0	0	0	111.5	Q373 Q374 L375	P371-Q373 PolarHBondContact O-N 2.75Å; P371-Q374 HydrophobicContact CB-CB 4.41Å; P371-Q374 WeakPolarHBondContact O-CA 3.28Å; P371-Q374 WeakPolarHBondContact O-CB 3.32Å; P371-Q374 PolarHBondContact O-N 3.24Å; P371-L375 PolarHBondContact O-N 2.88Å
372	P	97.9	Very high	97.8	Very high	85 Å²	85	41.6 Å²	41.6	55%	0.552	23%	0.225	S	C	*	.	H	α-helix	trans	-54.8	-31.7	179.7	-29.5	35.6	0	0	0	113.8	Q374 L375 A376 T395	P372-Q374 VanDerWaalsContact C-N 3.35Å; P372-Q374 PolarHBondContact O-N 2.91Å; P372-L375 PolarHBondContact O-N 3.15Å; P372-A376 WeakPolarHBondContact O-CB 2.99Å; P372-A376 PolarHBondContact O-N 3.24Å; P372-T395 HydrophobicContact CB-CG2 4.23Å
373	Q	97.6	Very high	97.8	Very high	149 Å²	149	42.6 Å²	42.6	70%	0.696	23%	0.232	S	C	*	.	H	α-helix	trans	-65.8	-35.3	175.4	-169.4	64	15.7	0	0	112.8	P371 S377	P371-Q373 PolarHBondContact O-N 2.75Å; Q373-S377 VanDerWaalsContact O-CB 3.31Å; Q373-S377 WeakPolarHBondContact O-CB 3.31Å; Q373-S377 PolarHBondContact O-N 2.56Å; Q373-S377 PolarHBondContact O-OG 2.85Å
374	Q	97.2	Very high	97.8	Very high	53 Å²	53	48 Å²	48	25%	0.248	26%	0.258	C	S	.	.	H	α-helix	trans	-67.7	-43.8	173.8	-172.2	-175.6	-3.1	0	0	109.9	E313 P371 P372 A376 S377 R378	E313-Q374 PolarHBondContact O-NE2 3.48Å; E313-Q374 VanDerWaalsContact O-NE2 3.11Å; E313-Q374 PolarHBondContact OE2-NE2 3.31Å; P371-Q374 HydrophobicContact CB-CB 4.41Å; P371-Q374 WeakPolarHBondContact O-CA 3.28Å; P371-Q374 WeakPolarHBondContact O-CB 3.32Å; P371-Q374 PolarHBondContact O-N 3.24Å; P372-Q374 VanDerWaalsContact C-N 3.35Å; P372-Q374 PolarHBondContact O-N 2.91Å; Q374-A376 PolarHBondContact O-N 2.82Å; Q374-S377 PolarHBondContact O-N 2.88Å; Q374-S377 PolarHBondContact O-OG 2.71Å; Q374-R378 HydrophobicContact CG-CG 3.96Å; Q374-R378 VanDerWaalsContact O-CB 3.27Å; Q374-R378 WeakPolarHBondContact O-CB 3.41Å; Q374-R378 WeakPolarHBondContact O-CG 3.31Å; Q374-R378 PolarHBondContact O-N 2.81Å
375	L	97.6	Very high	97.8	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-47.7	176.2	-61.1	178.2	0	0	0	111.4	L367 L370 P371 P372 S377 L379 V394 T395	L367-L375 HydrophobicContact CB-CD2 4.11Å; L370-L375 HydrophobicContact CB-CD2 4.03Å; L370-L375 HydrophobicContact CB-CG 4.25Å; L370-L375 HydrophobicContact CD1-CD2 3.94Å; P371-L375 PolarHBondContact O-N 2.88Å; P372-L375 PolarHBondContact O-N 3.15Å; L375-S377 VanDerWaalsContact C-N 3.35Å; L375-S377 PolarHBondContact O-N 3.41Å; L375-L379 HydrophobicContact CD2-CD1 3.92Å; L375-L379 CarbonylContact O-C 3.5Å; L375-L379 VanDerWaalsContact O-CA 3.26Å; L375-L379 WeakPolarHBondContact O-CA 3.19Å; L375-L379 PolarHBondContact O-N 3.44Å; L375-V394 HydrophobicContact CD1-CG2 4.2Å; L375-T395 HydrophobicContact CD1-CG2 4.09Å
376	A	97.8	Very high	97.7	Very high	59 Å²	59	45.8 Å²	45.8	49%	0.488	25%	0.252	S	S	.	.	H	α-helix	trans	-64.1	-35.5	179.2	0	0	0	0	0	113.4	P372 Q374 P380	P372-A376 WeakPolarHBondContact O-CB 2.99Å; P372-A376 PolarHBondContact O-N 3.24Å; Q374-A376 PolarHBondContact O-N 2.82Å; A376-P380 WeakPolarHBondContact O-CB 3.37Å
377	S	96.4	Very high	97.7	Very high	55 Å²	55	48.5 Å²	48.5	39%	0.385	27%	0.266	S	S	.	.	H	α-helix	trans	-86.4	-38.2	-178	58.8	0	0	0	0	113.8	Q373 Q374 L375	Q373-S377 VanDerWaalsContact O-CB 3.31Å; Q373-S377 WeakPolarHBondContact O-CB 3.31Å; Q373-S377 PolarHBondContact O-N 2.56Å; Q373-S377 PolarHBondContact O-OG 2.85Å; Q374-S377 PolarHBondContact O-N 2.88Å; Q374-S377 PolarHBondContact O-OG 2.71Å; L375-S377 VanDerWaalsContact C-N 3.35Å; L375-S377 PolarHBondContact O-N 3.41Å
378	R	96.8	Very high	97.7	Very high	63 Å²	63	53.3 Å²	53.3	24%	0.238	29%	0.291	C	S	.	.	H	α-helix	trans	-100.7	-29.1	-172.5	-55	-60.8	178.3	-173.9	-2.3	113.9	Y168 R170 A192 D193 E313 Q374	Y168-R378 VanDerWaalsContact CD1-NH1 3.28Å; R170-R378 PolarHBondContact NH1-O 3.42Å; R170-R378 PolarHBondContact NH2-O 3.15Å; A192-R378 CarbonylContact C-O 3.54Å; D193-R378 PolarHBondContact N-O 2.85Å; E313-R378 HydrophobicContact CG-CB 4.23Å; Q374-R378 HydrophobicContact CG-CG 3.96Å; Q374-R378 VanDerWaalsContact O-CB 3.27Å; Q374-R378 WeakPolarHBondContact O-CB 3.41Å; Q374-R378 WeakPolarHBondContact O-CG 3.31Å; Q374-R378 PolarHBondContact O-N 2.81Å
379	L	98	Very high	97.7	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	30%	0.299	C	S	.	.			trans	-130.9	40.9	-172.7	-58.3	175.7	0	0	0	114.5	D193 T307 C310 E313 L375 I382 S383	D193-L379 HydrophobicContact CB-CD2 4.37Å; D193-L379 VanDerWaalsContact OD2-CA 3.31Å; D193-L379 WeakPolarHBondContact OD2-CA 3.45Å; T307-L379 HydrophobicContact CG2-CD2 3.83Å; C310-L379 HydrophobicContact CB-CD1 4.43Å; E313-L379 HydrophobicContact CB-CD1 4.25Å; E313-L379 HydrophobicContact CG-CD1 4.31Å; E313-L379 HydrophobicContact CG-CD2 4.32Å; E313-L379 HydrophobicContact CG-CG 4.33Å; L375-L379 HydrophobicContact CD2-CD1 3.92Å; L375-L379 CarbonylContact O-C 3.5Å; L375-L379 VanDerWaalsContact O-CA 3.26Å; L375-L379 WeakPolarHBondContact O-CA 3.19Å; L375-L379 PolarHBondContact O-N 3.44Å; L379-I382 HydrophobicContact CB-CD1 3.88Å; L379-I382 HydrophobicContact CB-CG1 3.78Å; L379-I382 HydrophobicContact CD1-CD1 4.49Å; L379-I382 HydrophobicContact CD2-CG1 4.37Å; L379-S383 WeakPolarHBondContact O-CB 3.49Å; L379-S383 PolarHBondContact O-N 2.79Å; L379-S383 PolarHBondContact O-OG 3.06Å
380	P	98.2	Very high	97.6	Very high	31 Å²	31	52.9 Å²	52.9	20%	0.201	29%	0.294	C	S	.	.	H	α-helix	trans	-68	-34.3	-177.6	26.4	-35	0	0	0	114.4	A192 D193 R194 A376 E384	A192-P380 HydrophobicContact CB-CG 4.02Å; D193-P380 VanDerWaalsContact OD1-CD 3.25Å; D193-P380 WeakPolarHBondContact OD1-CD 3.42Å; D193-P380 WeakPolarHBondContact OD1-CG 3.26Å; R194-P380 VanDerWaalsContact NH1-CG 3.32Å; A376-P380 WeakPolarHBondContact O-CB 3.37Å; P380-E384 PolarHBondContact O-N 3.48Å
381	G	97.8	Very high	97.6	Very high	10 Å²	10	54.9 Å²	54.9	10%	0.103	32%	0.318	C	S	.	.	H	α-helix	trans	-67.5	-44.8	-179.2	0	0	0	0	0	113.1	D193 R194 S383 T385	D193-G381 WeakPolarHBondContact OD1-CA 3.49Å; D193-G381 PolarHBondContact OD1-N 2.79Å; D193-G381 VanDerWaalsContact OD2-CA 3.27Å; D193-G381 WeakPolarHBondContact OD2-CA 3.24Å; D193-G381 PolarHBondContact OD2-N 3.15Å; R194-G381 VanDerWaalsContact NH2-CA 3.34Å; G381-S383 VanDerWaalsContact C-N 3.33Å; G381-T385 WeakPolarHBondContact O-CB 3.45Å; G381-T385 PolarHBondContact O-N 2.75Å; G381-T385 PolarHBondContact O-OG1 2.91Å
382	I	96.8	Very high	97.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-73.4	-27.5	177.4	63.8	84.9	0	0	0	112.4	D193 I306 T307 L367 L379 E384 T385 A386 I399	D193-I382 PolarHBondContact OD2-N 3.01Å; I306-I382 HydrophobicContact CD1-CB 4.09Å; I306-I382 HydrophobicContact CD1-CG2 4.28Å; I306-I382 HydrophobicContact CG2-CB 4.32Å; I306-I382 HydrophobicContact CG2-CG2 4.31Å; T307-I382 HydrophobicContact CG2-CG2 3.91Å; L367-I382 HydrophobicContact CD1-CD1 3.83Å; L379-I382 HydrophobicContact CB-CD1 3.88Å; L379-I382 HydrophobicContact CB-CG1 3.78Å; L379-I382 HydrophobicContact CD1-CD1 4.49Å; L379-I382 HydrophobicContact CD2-CG1 4.37Å; I382-E384 VanDerWaalsContact C-N 3.34Å; I382-T385 PolarHBondContact O-N 3.38Å; I382-A386 VanDerWaalsContact O-CB 3.28Å; I382-A386 WeakPolarHBondContact O-CB 3.22Å; I382-A386 PolarHBondContact O-N 2.93Å; I382-I399 HydrophobicContact CD1-CD1 4.47Å
383	S	97.4	Very high	97.6	Very high	29 Å²	29	50.3 Å²	50.3	20%	0.203	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-45.4	175.4	-60.6	0	0	0	0	110.2	L379 G381 M387 V394	L379-S383 WeakPolarHBondContact O-CB 3.49Å; L379-S383 PolarHBondContact O-N 2.79Å; L379-S383 PolarHBondContact O-OG 3.06Å; G381-S383 VanDerWaalsContact C-N 3.33Å; S383-M387 PolarHBondContact O-N 3.08Å; S383-V394 WeakPolarHBondContact OG-CG2 3.01Å
384	E	98.1	Very high	97.6	Very high	114 Å²	114	43.5 Å²	43.5	53%	0.533	25%	0.254	S	S	.	.	H	α-helix	trans	-64.2	-45.7	173.1	-173.4	67.3	-166.2	0	0	111.7	P380 I382 A386 M387 I388	P380-E384 PolarHBondContact O-N 3.48Å; I382-E384 VanDerWaalsContact C-N 3.34Å; E384-A386 PolarHBondContact O-N 3.23Å; E384-M387 PolarHBondContact O-N 2.95Å; E384-I388 HydrophobicContact CG-CD1 3.78Å; E384-I388 HydrophobicContact CG-CG1 4.48Å; E384-I388 WeakPolarHBondContact O-CG1 3.19Å; E384-I388 PolarHBondContact O-N 3.05Å
385	T	97.9	Very high	97.7	Very high	27 Å²	27	43.5 Å²	43.5	17%	0.166	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-42.1	-177.7	-57	0	0	0	0	111.9	C304 I306 G381 I382 M387 I388 F389	C304-T385 HydrophobicContact CB-CG2 4.08Å; I306-T385 HydrophobicContact CD1-CG2 4.25Å; G381-T385 WeakPolarHBondContact O-CB 3.45Å; G381-T385 PolarHBondContact O-N 2.75Å; G381-T385 PolarHBondContact O-OG1 2.91Å; I382-T385 PolarHBondContact O-N 3.38Å; T385-M387 VanDerWaalsContact C-N 3.35Å; T385-I388 PolarHBondContact O-N 2.72Å; T385-F389 HydrophobicContact CG2-CD2 3.79Å; T385-F389 HydrophobicContact CG2-CE2 4.31Å; T385-F389 WeakPolarHBondContact O-CD2 3.4Å; T385-F389 PolarHBondContact O-N 3.24Å
386	A	98.1	Very high	97.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-40.4	177.8	0	0	0	0	0	111.8	I382 E384 A390 G391 V392 V394 I399	I382-A386 VanDerWaalsContact O-CB 3.28Å; I382-A386 WeakPolarHBondContact O-CB 3.22Å; I382-A386 PolarHBondContact O-N 2.93Å; E384-A386 PolarHBondContact O-N 3.23Å; A386-A390 CarbonylContact O-C 3.53Å; A386-A390 WeakPolarHBondContact O-CA 3.48Å; A386-A390 WeakPolarHBondContact O-CB 3.41Å; A386-A390 PolarHBondContact O-N 2.83Å; A386-G391 PolarHBondContact O-N 2.87Å; A386-V392 CarbonylContact C-O 3.25Å; A386-V392 HydrophobicContact CB-CB 4.45Å; A386-V392 PolarHBondContact O-N 2.88Å; A386-V394 HydrophobicContact CB-CG1 3.64Å; A386-I399 HydrophobicContact CB-CD1 3.96Å; A386-I399 HydrophobicContact CB-CG1 4.02Å; A386-I399 HydrophobicContact CB-CG2 4.42Å
387	M	97.9	Very high	97.7	Very high	92 Å²	92	52.6 Å²	52.6	45%	0.453	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-49.7	175.2	179.8	57.4	67.6	0	0	111.4	S383 E384 T385 G391 V392 D393	S383-M387 PolarHBondContact O-N 3.08Å; E384-M387 PolarHBondContact O-N 2.95Å; T385-M387 VanDerWaalsContact C-N 3.35Å; M387-G391 WeakPolarHBondContact O-CA 3.11Å; M387-G391 PolarHBondContact O-N 3.03Å; M387-V392 WeakPolarHBondContact CA-O 3.38Å; M387-V392 PolarHBondContact N-O 3.17Å; M387-D393 HydrophobicContact CE-CB 3.88Å
388	I	98.2	Very high	97.8	Very high	103 Å²	103	50.8 Å²	50.8	53%	0.528	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-47.6	-176.3	-68.2	171.5	0	0	0	112	E384 T385	E384-I388 HydrophobicContact CG-CD1 3.78Å; E384-I388 HydrophobicContact CG-CG1 4.48Å; E384-I388 WeakPolarHBondContact O-CG1 3.19Å; E384-I388 PolarHBondContact O-N 3.05Å; T385-I388 PolarHBondContact O-N 2.72Å
389	F	97	Very high	97.9	Very high	108 Å²	108	47.8 Å²	47.8	47%	0.474	26%	0.264	S	S	.	.	H	α-helix	trans	-98.8	-17.7	-167.1	-69.4	-75.6	0	0	0	114.5	I299 A302 T385	I299-F389 HydrophobicContact CD1-CB 3.89Å; I299-F389 HydrophobicContact CG2-CB 4.49Å; A302-F389 HydrophobicContact CB-CB 4.19Å; A302-F389 HydrophobicContact CB-CD1 3.92Å; A302-F389 HydrophobicContact CB-CG 4.3Å; T385-F389 HydrophobicContact CG2-CD2 3.79Å; T385-F389 HydrophobicContact CG2-CE2 4.31Å; T385-F389 WeakPolarHBondContact O-CD2 3.4Å; T385-F389 PolarHBondContact O-N 3.24Å
390	A	96.6	Very high	97.9	Very high	37 Å²	37	48.6 Å²	48.6	31%	0.306	27%	0.269	S	S	.	.	H	α-helix	trans	-127.2	-2.8	176.9	0	0	0	0	0	113.9	I299 A386 V392 P400	I299-A390 HydrophobicContact CD1-CB 3.61Å; I299-A390 HydrophobicContact CG1-CB 4.14Å; A386-A390 CarbonylContact O-C 3.53Å; A386-A390 WeakPolarHBondContact O-CA 3.48Å; A386-A390 WeakPolarHBondContact O-CB 3.41Å; A386-A390 PolarHBondContact O-N 2.83Å; A390-V392 HydrophobicContact CB-CB 4.44Å; A390-V392 HydrophobicContact CB-CG2 3.93Å; A390-V392 PolarHBondContact O-N 2.81Å; A390-P400 HydrophobicContact CB-CG 4.01Å
391	G	97.8	Very high	97.9	Very high	59 Å²	59	47.1 Å²	47.1	61%	0.608	26%	0.259	S	S	*	.			trans	65.7	22.3	-176	0	0	0	0	0	113.5	A386 M387	A386-G391 PolarHBondContact O-N 2.87Å; M387-G391 WeakPolarHBondContact O-CA 3.11Å; M387-G391 PolarHBondContact O-N 3.03Å
392	V	98.1	Very high	97.9	Very high	17 Å²	17	48.5 Å²	48.5	10%	0.103	26%	0.264	C	S	.	.			trans	-100.7	123	-172.6	171.6	0	0	0	0	111.1	A386 M387 A390 E397 I399	A386-V392 CarbonylContact C-O 3.25Å; A386-V392 HydrophobicContact CB-CB 4.45Å; A386-V392 PolarHBondContact O-N 2.88Å; M387-V392 WeakPolarHBondContact CA-O 3.38Å; M387-V392 PolarHBondContact N-O 3.17Å; A390-V392 HydrophobicContact CB-CB 4.44Å; A390-V392 HydrophobicContact CB-CG2 3.93Å; A390-V392 PolarHBondContact O-N 2.81Å; V392-E397 HydrophobicContact CG1-CB 4.19Å; V392-E397 WeakPolarHBondContact CG1-O 3.49Å; V392-I399 HydrophobicContact CG1-CG1 4.24Å
393	D	98.3	Very high	98	Very high	48 Å²	48	49.4 Å²	49.4	26%	0.257	27%	0.27	S	S	.	.			trans	-83.6	106.6	163.3	-178.7	-10.2	0	0	0	109.3	M387 T395 K396 E397	M387-D393 HydrophobicContact CE-CB 3.88Å; D393-T395 VanDerWaalsContact CG-OG1 3.31Å; D393-T395 PolarHBondContact O-N 3.23Å; D393-T395 WeakPolarHBondContact OD1-CB 3.39Å; D393-T395 PolarHBondContact OD1-N 2.89Å; D393-T395 PolarHBondContact OD1-OG1 3.44Å; D393-T395 PolarHBondContact OD2-OG1 3.32Å; D393-K396 PolarHBondContact O-N 3.44Å; D393-K396 WeakPolarHBondContact OD2-CE 3.17Å; D393-K396 IonicContact OD2-NZ 3.53Å; D393-K396 PolarHBondContact OD2-NZ 3.45Å; D393-E397 PolarHBondContact O-N 3.37Å
394	V	98.1	Very high	98	Very high	5 Å²	5	48 Å²	48	3%	0.03	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-13.8	-175.5	-59.5	0	0	0	0	114.2	L367 H368 L375 S383 A386 K396 I399	L367-V394 HydrophobicContact CD1-CB 4.4Å; H368-V394 WeakPolarHBondContact CA-O 3.27Å; H368-V394 PolarHBondContact N-O 3.14Å; L375-V394 HydrophobicContact CD1-CG2 4.2Å; S383-V394 WeakPolarHBondContact OG-CG2 3.01Å; A386-V394 HydrophobicContact CB-CG1 3.64Å; V394-K396 VanDerWaalsContact C-N 3.3Å; V394-I399 HydrophobicContact CG1-CD1 3.72Å; V394-I399 HydrophobicContact CG1-CG1 3.85Å
395	T	98.1	Very high	98	Very high	54 Å²	54	42.6 Å²	42.6	33%	0.331	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.2	174.7	69.3	0	0	0	0	113.1	H368 P372 L375 D393	H368-T395 VanDerWaalsContact CB-C 3.5Å; H368-T395 WeakPolarHBondContact CB-O 3.47Å; P372-T395 HydrophobicContact CB-CG2 4.23Å; L375-T395 HydrophobicContact CD1-CG2 4.09Å; D393-T395 VanDerWaalsContact CG-OG1 3.31Å; D393-T395 PolarHBondContact O-N 3.23Å; D393-T395 WeakPolarHBondContact OD1-CB 3.39Å; D393-T395 PolarHBondContact OD1-N 2.89Å; D393-T395 PolarHBondContact OD1-OG1 3.44Å; D393-T395 PolarHBondContact OD2-OG1 3.32Å
396	K	98	Very high	98.1	Very high	134 Å²	134	42.4 Å²	42.4	58%	0.583	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-48.1	-175.4	-61.9	179.9	-174.2	125	0	112.2	H368 D393 V394	H368-K396 PolarHBondContact ND1-O 2.88Å; H368-K396 VanDerWaalsContact ND1-O 3.08Å; D393-K396 PolarHBondContact O-N 3.44Å; D393-K396 WeakPolarHBondContact OD2-CE 3.17Å; D393-K396 IonicContact OD2-NZ 3.53Å; D393-K396 PolarHBondContact OD2-NZ 3.45Å; V394-K396 VanDerWaalsContact C-N 3.3Å
397	E	98.1	Very high	98.1	Very high	118 Å²	118	42.6 Å²	42.6	55%	0.551	23%	0.233	S	C	*	.	S	Bend	trans	-120.9	150.3	-169.9	-62.9	-59.1	143.9	0	0	111.1	V392 D393	V392-E397 HydrophobicContact CG1-CB 4.19Å; V392-E397 WeakPolarHBondContact CG1-O 3.49Å; D393-E397 PolarHBondContact O-N 3.37Å
398	P	98.4	Very high	98.1	Very high	16 Å²	16	38.2 Å²	38.2	10%	0.104	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-74.2	153.9	175.4	31.5	-34.9	0	0	0	112.5	Y364 L365 Q366	Y364-P398 HydrophobicContact CD1-CB 3.85Å; Y364-P398 HydrophobicContact CD1-CG 3.6Å; Y364-P398 HydrophobicContact CD2-CG 3.97Å; Y364-P398 HydrophobicContact CE1-CG 4.07Å; Y364-P398 HydrophobicContact CE2-CG 4.4Å; Y364-P398 HydrophobicContact CG-CB 3.84Å; Y364-P398 HydrophobicContact CG-CG 3.58Å; L365-P398 CarbonylContact O-C 3.49Å; L365-P398 WeakPolarHBondContact O-CA 3.42Å; Q366-P398 HydrophobicContact CB-CB 4.31Å
399	I	98.6	Very high	98.2	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	130	178.3	-50.5	170.4	0	0	0	109.4	I299 I306 L365 L367 I382 A386 V392 V394 V401	I299-I399 HydrophobicContact CD1-CG2 4.33Å; I299-I399 HydrophobicContact CG1-CG2 4.05Å; I306-I399 HydrophobicContact CD1-CD1 4.46Å; I306-I399 HydrophobicContact CG1-CG2 4.28Å; I306-I399 HydrophobicContact CG2-CD1 4.05Å; L365-I399 HydrophobicContact CB-CB 4.43Å; L365-I399 HydrophobicContact CD2-CD1 4.41Å; L365-I399 PolarHBondContact N-O 2.93Å; L365-I399 PolarHBondContact O-N 2.94Å; L367-I399 HydrophobicContact CD1-CD1 3.86Å; I382-I399 HydrophobicContact CD1-CD1 4.47Å; A386-I399 HydrophobicContact CB-CD1 3.96Å; A386-I399 HydrophobicContact CB-CG1 4.02Å; A386-I399 HydrophobicContact CB-CG2 4.42Å; V392-I399 HydrophobicContact CG1-CG1 4.24Å; V394-I399 HydrophobicContact CG1-CD1 3.72Å; V394-I399 HydrophobicContact CG1-CG1 3.85Å; I399-V401 HydrophobicContact CB-CG1 4.35Å; I399-V401 HydrophobicContact CG2-CG1 4.03Å; I399-V401 PolarHBondContact O-N 2.67Å
400	P	98.4	Very high	98.2	Very high	17 Å²	17	28.2 Å²	28.2	11%	0.11	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.4	173.5	30.9	-35	0	0	0	110.4	Y300 H362 Y364 A390	Y300-P400 PolarHBondContact N-O 3.44Å; H362-P400 WeakPolarHBondContact CD2-CB 3.43Å; Y364-P400 HydrophobicContact CE1-CB 4.28Å; A390-P400 HydrophobicContact CB-CG 4.01Å
401	V	98.6	Very high	98.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	150	-172	-66.2	0	0	0	0	113	T297 G298 L317 M346 H362 V363 L365 I399	T297-V401 HydrophobicContact CG2-CB 4.21Å; T297-V401 HydrophobicContact CG2-CG1 4.32Å; T297-V401 HydrophobicContact CG2-CG2 4.02Å; G298-V401 CarbonylContact O-C 3.4Å; G298-V401 VanDerWaalsContact O-CA 3.24Å; G298-V401 WeakPolarHBondContact O-CA 3.4Å; L317-V401 HydrophobicContact CD2-CG2 4.11Å; M346-V401 HydrophobicContact CE-CG2 3.94Å; H362-V401 WeakPolarHBondContact CB-O 3.47Å; V363-V401 HydrophobicContact CG2-CG2 4.08Å; V363-V401 PolarHBondContact N-O 2.94Å; V363-V401 WeakPolarHBondContact O-CG2 3.47Å; V363-V401 PolarHBondContact O-N 3.28Å; L365-V401 HydrophobicContact CB-CG1 4.03Å; L365-V401 HydrophobicContact CB-CG2 3.87Å; I399-V401 HydrophobicContact CB-CG1 4.35Å; I399-V401 HydrophobicContact CG2-CG1 4.03Å; I399-V401 PolarHBondContact O-N 2.67Å
402	L	97.6	Very high	98.3	Very high	40 Å²	40	23.7 Å²	23.7	21%	0.209	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	155.9	172.5	77.7	174.5	0	0	0	112.5	P296 G298 Y300 H362 T404	P296-L402 CarbonylContact O-C 3.58Å; P296-L402 VanDerWaalsContact O-O 3.14Å; G298-L402 PolarHBondContact N-O 2.86Å; G298-L402 VanDerWaalsContact N-O 3.11Å; G298-L402 PolarHBondContact O-N 3.37Å; Y300-L402 HydrophobicContact CD2-CD1 4.27Å; Y300-L402 HydrophobicContact CD2-CD2 4.22Å; H362-L402 HydrophobicContact CB-CB 4.35Å; L402-T404 PolarHBondContact O-N 2.89Å; L402-T404 PolarHBondContact O-OG1 2.75Å
403	P	98.3	Very high	98.3	Very high	18 Å²	18	23 Å²	23	12%	0.117	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	121.7	173.5	-27.6	37.2	0	0	0	112.1	F294 H295 S343 M346 V526	F294-P403 HydrophobicContact CB-CB 4.25Å; H295-P403 WeakPolarHBondContact O-CA 3.14Å; S343-P403 WeakPolarHBondContact O-CG 3.45Å; M346-P403 HydrophobicContact CB-CG 3.85Å; M346-P403 HydrophobicContact CE-CG 4.5Å; M346-P403 HydrophobicContact SD-CG 4.1Å; P403-V526 HydrophobicContact CB-CG2 4.12Å
404	T	98.4	Very high	98.2	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.3	-172.9	-60.5	0	0	0	0	110.3	T266 F294 H295 L402 H406	T266-T404 HydrophobicContact CG2-CG2 3.89Å; F294-T404 CarbonylContact C-O 3.51Å; F294-T404 VanDerWaalsContact CA-O 3.3Å; F294-T404 WeakPolarHBondContact CA-O 3.44Å; H295-T404 PolarHBondContact N-O 3.44Å; H295-T404 PolarHBondContact O-N 2.85Å; L402-T404 PolarHBondContact O-N 2.89Å; L402-T404 PolarHBondContact O-OG1 2.75Å; T404-H406 PolarHBondContact O-N 2.86Å
405	V	98.7	Very high	98	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	132.9	179.1	172.4	0	0	0	0	110.4	Y262 C265 T266 V292 F294	Y262-V405 HydrophobicContact CD1-CG2 3.65Å; Y262-V405 HydrophobicContact CD2-CB 4.41Å; Y262-V405 HydrophobicContact CD2-CG1 3.91Å; Y262-V405 HydrophobicContact CD2-CG2 3.91Å; Y262-V405 HydrophobicContact CE1-CG2 4.08Å; Y262-V405 HydrophobicContact CE2-CG1 4.43Å; Y262-V405 HydrophobicContact CE2-CG2 4.33Å; Y262-V405 HydrophobicContact CG-CB 4.26Å; Y262-V405 HydrophobicContact CG-CG1 4.25Å; Y262-V405 HydrophobicContact CG-CG2 3.55Å; C265-V405 CarbonylContact C-O 3.53Å; C265-V405 WeakPolarHBondContact CA-O 3.37Å; C265-V405 HydrophobicContact CB-CB 3.98Å; C265-V405 HydrophobicContact CB-CG1 4.2Å; C265-V405 WeakPolarHBondContact CB-O 3.45Å; T266-V405 PolarHBondContact N-O 2.93Å; V292-V405 HydrophobicContact CG1-CG1 3.75Å; V292-V405 HydrophobicContact CG1-CG2 4.27Å; F294-V405 HydrophobicContact CD1-CG2 3.69Å; F294-V405 HydrophobicContact CE1-CG2 3.24Å; F294-V405 HydrophobicContact CZ-CG2 3.73Å
406	H	98.5	Very high	97.9	Very high	23 Å²	23	22 Å²	22	11%	0.106	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	-44.2	-165.7	177.2	63.7	0	0	0	114.7	T266 Q293 H295 R339 T404 R452	T266-H406 HydrophobicContact CG2-CB 4.48Å; T266-H406 PolarHBondContact OG1-ND1 3.11Å; Q293-H406 PolarHBondContact O-N 3.34Å; H295-H406 HydrophobicContact CB-CB 3.55Å; H295-H406 AromaticContact CD2-CD2 3.96Å; H295-H406 AromaticContact CD2-NE2 3.97Å; R339-H406 PolarHBondContact NH1-CD2 2.76Å; R339-H406 PolarHBondContact NH1-NE2 3.2Å; T404-H406 PolarHBondContact O-N 2.86Å; H406-R452 PolarHBondContact CD2-NH2 3.28Å; H406-R452 PolarHBondContact NE2-NH2 3.25Å
407	Y	98.7	Very high	97.7	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.016	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	144.4	-171.5	-175.9	-91.7	0	0	0	111.6	Q293 M409 E441 H448 R452 S457	Q293-Y407 PolarHBondContact N-O 3.46Å; Q293-Y407 PolarHBondContact O-N 2.79Å; Y407-M409 HydrophobicContact CD1-CG 4.38Å; Y407-M409 HydrophobicContact CD1-SD 3.88Å; Y407-M409 HydrophobicContact CE1-CG 4.45Å; Y407-E441 WeakPolarHBondContact CA-OE1 3.45Å; Y407-E441 HydrophobicContact CD2-CG 3.85Å; Y407-E441 VanDerWaalsContact CD2-OE1 3.23Å; Y407-E441 WeakPolarHBondContact CD2-OE1 3.48Å; Y407-E441 HydrophobicContact CE2-CB 3.72Å; Y407-E441 VanDerWaalsContact CE2-CD 3.49Å; Y407-E441 HydrophobicContact CE2-CG 3.44Å; Y407-E441 VanDerWaalsContact CE2-CG 3.44Å; Y407-H448 PolarHBondContact OH-CD2 3.45Å; Y407-H448 PolarHBondContact OH-NE2 3.01Å; Y407-R452 VanDerWaalsContact CB-NH2 3.28Å; Y407-R452 HydrophobicContact CD1-CB 4.25Å; Y407-R452 VanDerWaalsContact CD2-NE 3.34Å; Y407-R452 HydrophobicContact CE1-CB 4.31Å; Y407-R452 VanDerWaalsContact CE1-CD 3.48Å; Y407-R452 HydrophobicContact CE1-CG 4.48Å; Y407-R452 VanDerWaalsContact CE1-NE 3.3Å; Y407-R452 VanDerWaalsContact CG-NH2 3.28Å; Y407-S457 VanDerWaalsContact CE2-OG 3.31Å; Y407-S457 WeakPolarHBondContact CE2-OG 3.49Å
408	N	98.8	Very high	97.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116	175.6	-59.8	108.4	0	0	0	110.1	Y258 G259 E441	Y258-N408 HydrophobicContact CD1-CB 4.03Å; Y258-N408 HydrophobicContact CE1-CB 3.54Å; Y258-N408 WeakPolarHBondContact CE1-ND2 3.27Å; Y258-N408 WeakPolarHBondContact CE2-ND2 3.5Å; Y258-N408 PolarHBondContact N-OD1 2.91Å; Y258-N408 PolarHBondContact OH-ND2 3.38Å; G259-N408 PolarHBondContact N-OD1 3.43Å; N408-E441 HydrophobicContact CB-CG 4.47Å; N408-E441 PolarHBondContact N-OE1 3.02Å
409	M	98.8	Very high	96.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-75.4	-38.1	174.9	-76.8	73.1	76.1	0	0	111.5	F291 Q293 Y407 H448 G449 R452 A592	F291-M409 VanDerWaalsContact C-CE 3.46Å; F291-M409 HydrophobicContact CB-CB 4.09Å; F291-M409 HydrophobicContact CB-CE 3.85Å; F291-M409 VanDerWaalsContact O-CE 3.29Å; F291-M409 WeakPolarHBondContact O-CE 3.45Å; F291-M409 PolarHBondContact O-N 3Å; Q293-M409 HydrophobicContact CB-CE 3.78Å; Q293-M409 HydrophobicContact CB-SD 3.45Å; Q293-M409 WeakPolarHBondContact CB-SD 3.48Å; Y407-M409 HydrophobicContact CD1-CG 4.38Å; Y407-M409 HydrophobicContact CD1-SD 3.88Å; Y407-M409 HydrophobicContact CE1-CG 4.45Å; M409-H448 HydrophobicContact CB-CB 4.43Å; M409-H448 HydrophobicContact CG-CB 3.91Å; M409-G449 VanDerWaalsContact CB-O 3.26Å; M409-G449 WeakPolarHBondContact CB-O 3.36Å; M409-R452 HydrophobicContact CG-CB 4.23Å; M409-R452 HydrophobicContact SD-CB 4.3Å; M409-A592 HydrophobicContact CE-CB 3.68Å
410	G	98.5	Very high	95	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.06	C	C	.	.			trans	-75.5	159.8	172.7	0	0	0	0	0	113.1	Q287 D288	Q287-G410 CarbonylContact O-C 3.46Å; Q287-G410 WeakPolarHBondContact O-CA 3.33Å; D288-G410 WeakPolarHBondContact O-CA 3.42Å; D288-G410 PolarHBondContact O-N 3.24Å
411	G	98.4	Very high	93.4	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	176.8	-150.4	-174.3	0	0	0	0	0	111.9	C286 Q287 A442	C286-G411 CarbonylContact C-O 3.47Å; C286-G411 WeakPolarHBondContact CA-O 3.47Å; Q287-G411 PolarHBondContact N-O 3.08Å; Q287-G411 PolarHBondContact O-N 2.93Å; G411-A442 CarbonylContact C-O 3.51Å; G411-A442 WeakPolarHBondContact CA-O 3.45Å
412	I	98.2	Very high	91.3	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	119	177.3	-58.9	161.2	0	0	0	108.6	I253 T276 V279 T414 R420 A438 A442 A443 C444	I253-I412 HydrophobicContact CB-CD1 4.07Å; I253-I412 HydrophobicContact CD1-CD1 3.81Å; I253-I412 HydrophobicContact CG2-CD1 3.7Å; T276-I412 HydrophobicContact CG2-CG1 4.2Å; V279-I412 HydrophobicContact CB-CD1 4.34Å; V279-I412 HydrophobicContact CB-CG1 4.14Å; V279-I412 HydrophobicContact CG1-CG1 4.23Å; V279-I412 HydrophobicContact CG2-CD1 3.57Å; V279-I412 HydrophobicContact CG2-CG1 3.79Å; V279-I412 HydrophobicContact CG2-CG2 4.22Å; I412-T414 PolarHBondContact O-N 3.22Å; I412-R420 HydrophobicContact CG2-CG 4.05Å; I412-A438 HydrophobicContact CB-CB 3.98Å; I412-A438 HydrophobicContact CD1-CB 4.12Å; I412-A438 HydrophobicContact CG2-CB 4.01Å; I412-A442 WeakPolarHBondContact CG1-O 3.4Å; I412-A442 PolarHBondContact N-O 2.79Å; I412-A443 CarbonylContact O-C 3.08Å; I412-A443 WeakPolarHBondContact O-CA 3.29Å; I412-C444 PolarHBondContact O-N 3.3Å
413	P	97.1	Very high	89	Confident	2 Å²	2	12.3 Å²	12.3	1%	0.013	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	131	-179.7	26.7	-36.9	0	0	0	111.9	P285 Q287 Q421 C444 M628	P285-P413 VanDerWaalsContact O-CD 3.31Å; P285-P413 WeakPolarHBondContact O-CD 3.16Å; Q287-P413 HydrophobicContact CB-CB 4Å; Q287-P413 HydrophobicContact CB-CG 4.41Å; P413-Q421 WeakPolarHBondContact CG-O 3.35Å; P413-Q421 PolarHBondContact O-N 3.2Å; P413-Q421 VanDerWaalsContact O-N 3.16Å; P413-C444 WeakPolarHBondContact CA-O 3.31Å; P413-M628 HydrophobicContact CB-CE 4.04Å; P413-M628 HydrophobicContact CG-CE 3.69Å
414	T	96.5	Very high	86.4	Confident	2 Å²	2	14.1 Å²	14.1	1%	0.012	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-133.5	162.2	174	68.4	0	0	0	0	110.9	I412 Q419 A438 A443 C444 A445	I412-T414 PolarHBondContact O-N 3.22Å; T414-Q419 CarbonylContact C-O 3.32Å; T414-Q419 WeakPolarHBondContact CA-O 3.36Å; T414-Q419 VanDerWaalsContact CB-O 3.25Å; T414-Q419 WeakPolarHBondContact CB-O 3.47Å; T414-A438 HydrophobicContact CG2-CB 3.8Å; T414-A443 HydrophobicContact CG2-CB 4.23Å; T414-C444 PolarHBondContact N-O 3.46Å; T414-C444 VanDerWaalsContact N-O 3.15Å; T414-A445 CarbonylContact O-C 3.57Å; T414-A445 WeakPolarHBondContact OG1-CA 3.21Å
415	N	94.6	Very high	84	Confident	17 Å²	17	17.1 Å²	17.1	9%	0.091	8%	0.08	C	C	.	.			trans	-78.6	178.4	161.8	64.2	11.3	0	0	0	110.9	K417 G418 Q419 Q421	N415-K417 PolarHBondContact O-N 3.02Å; N415-K417 VanDerWaalsContact O-N 3.1Å; N415-K417 WeakPolarHBondContact OD1-CA 3.25Å; N415-K417 WeakPolarHBondContact OD1-CB 3.28Å; N415-K417 PolarHBondContact OD1-N 2.92Å; N415-G418 PolarHBondContact O-N 3.38Å; N415-G418 PolarHBondContact OD1-N 3.19Å; N415-G418 VanDerWaalsContact OD1-N 3.13Å; N415-Q419 PolarHBondContact N-O 3.36Å; N415-Q419 PolarHBondContact ND2-OE1 3.07Å; N415-Q419 WeakPolarHBondContact OD1-CB 3.46Å; N415-Q419 PolarHBondContact OD1-N 3.23Å; N415-Q419 PolarHBondContact OD1-O 3.32Å; N415-Q421 HydrophobicContact CB-CG 3.92Å
416	Y	95.1	Very high	81.4	Confident	67 Å²	67	23 Å²	23	26%	0.263	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16	175.4	77.5	-94.6	0	0	0	114.2	D136 Y140 G418 F464 L650	D136-Y416 HydrophobicContact CB-CD1 4.45Å; Y140-Y416 HydrophobicContact CD2-CD2 4.38Å; Y140-Y416 HydrophobicContact CG-CD2 4.4Å; Y416-G418 VanDerWaalsContact C-N 3.34Å; Y416-F464 VanDerWaalsContact O-CE1 3.29Å; Y416-F464 WeakPolarHBondContact O-CE1 3.47Å; Y416-L650 HydrophobicContact CD1-CD2 4.05Å; Y416-L650 HydrophobicContact CD2-CD2 4.19Å; Y416-L650 HydrophobicContact CE1-CD2 3.83Å; Y416-L650 HydrophobicContact CE2-CD2 3.98Å; Y416-L650 HydrophobicContact CG-CD2 4.23Å
417	K	94.6	Very high	79.3	Confident	58 Å²	58	29 Å²	29	25%	0.252	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-4.7	175.5	-62.5	-169.2	176.8	-163.8	0	113.3	N415 Q419 T471	N415-K417 PolarHBondContact O-N 3.02Å; N415-K417 VanDerWaalsContact O-N 3.1Å; N415-K417 WeakPolarHBondContact OD1-CA 3.25Å; N415-K417 WeakPolarHBondContact OD1-CB 3.28Å; N415-K417 PolarHBondContact OD1-N 2.92Å; K417-Q419 VanDerWaalsContact C-N 3.26Å; K417-Q419 PolarHBondContact O-N 3.46Å; K417-T471 HydrophobicContact CB-CG2 4.18Å; K417-T471 HydrophobicContact CD-CG2 4.19Å; K417-T471 PolarHBondContact O-OG1 3.17Å
418	G	85.6	Confident	77.6	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	78.3	5.7	-176	0	0	0	0	0	114.3	N415 Y416 Y437 A438	N415-G418 PolarHBondContact O-N 3.38Å; N415-G418 PolarHBondContact OD1-N 3.19Å; N415-G418 VanDerWaalsContact OD1-N 3.13Å; Y416-G418 VanDerWaalsContact C-N 3.34Å; G418-Y437 VanDerWaalsContact O-CA 3.28Å; G418-Y437 WeakPolarHBondContact O-CA 3.35Å; G418-Y437 WeakPolarHBondContact O-CB 3.46Å; G418-Y437 WeakPolarHBondContact O-CD1 3.4Å; G418-A438 PolarHBondContact O-N 3.1Å; G418-A438 VanDerWaalsContact O-N 3.09Å
419	Q	85.8	Confident	76.6	Confident	13 Å²	13	38.7 Å²	38.7	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	136.5	169.8	-66.1	168.2	-47.9	0	0	108.7	T414 N415 K417 Q421 V432 Y437 T471 E475	T414-Q419 CarbonylContact C-O 3.32Å; T414-Q419 WeakPolarHBondContact CA-O 3.36Å; T414-Q419 VanDerWaalsContact CB-O 3.25Å; T414-Q419 WeakPolarHBondContact CB-O 3.47Å; N415-Q419 PolarHBondContact N-O 3.36Å; N415-Q419 PolarHBondContact ND2-OE1 3.07Å; N415-Q419 WeakPolarHBondContact OD1-CB 3.46Å; N415-Q419 PolarHBondContact OD1-N 3.23Å; N415-Q419 PolarHBondContact OD1-O 3.32Å; K417-Q419 VanDerWaalsContact C-N 3.26Å; K417-Q419 PolarHBondContact O-N 3.46Å; Q419-Q421 PolarHBondContact O-N 3.26Å; Q419-V432 HydrophobicContact CB-CG1 4.01Å; Q419-V432 HydrophobicContact CB-CG2 4.46Å; Q419-Y437 HydrophobicContact CB-CD1 4.41Å; Q419-Y437 HydrophobicContact CB-CE1 4.18Å; Q419-Y437 HydrophobicContact CG-CD1 3.95Å; Q419-Y437 HydrophobicContact CG-CE1 3.28Å; Q419-T471 HydrophobicContact CG-CG2 3.93Å; Q419-E475 PolarHBondContact NE2-OE1 3.15Å; Q419-E475 PolarHBondContact NE2-OE2 3.35Å
420	R	66.2	Low	75.8	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	122.4	175.6	-175.5	-167.1	172.9	130	28.3	110.2	L284 P285 I412 V422 V432 I433 L436	L284-R420 VanDerWaalsContact CD1-CZ 3.42Å; P285-R420 PolarHBondContact O-NH2 2.97Å; I412-R420 HydrophobicContact CG2-CG 4.05Å; R420-V422 HydrophobicContact CG-CG2 4.41Å; R420-V432 WeakPolarHBondContact O-CA 3.5Å; R420-I433 PolarHBondContact O-N 3.18Å; R420-L436 HydrophobicContact CB-CB 4.23Å; R420-L436 HydrophobicContact CB-CG 4.13Å; R420-L436 WeakPolarHBondContact CB-O 3.22Å; R420-L436 PolarHBondContact N-O 3.27Å
421	Q	65.1	Low	75.2	Confident	27 Å²	27	47.2 Å²	47.2	13%	0.126	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.8	167.8	-71.1	-177.8	-28.4	0	0	109.2	P413 N415 Q419	P413-Q421 WeakPolarHBondContact CG-O 3.35Å; P413-Q421 PolarHBondContact O-N 3.2Å; P413-Q421 VanDerWaalsContact O-N 3.16Å; N415-Q421 HydrophobicContact CB-CG 3.92Å; Q419-Q421 PolarHBondContact O-N 3.26Å
422	V	54.7	Low	74.7	Confident	18 Å²	18	49.9 Å²	49.9	11%	0.109	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.7	164.2	172.3	0	0	0	0	109.5	L284 R420 D424 K431 I433	L284-V422 HydrophobicContact CB-CG2 4.44Å; L284-V422 HydrophobicContact CD2-CG1 4.47Å; L284-V422 HydrophobicContact CD2-CG2 4.21Å; R420-V422 HydrophobicContact CG-CG2 4.41Å; V422-D424 VanDerWaalsContact C-N 3.27Å; V422-D424 PolarHBondContact O-N 3.28Å; V422-K431 CarbonylContact C-O 3.29Å; V422-K431 WeakPolarHBondContact CA-O 3.21Å; V422-K431 PolarHBondContact N-O 3.43Å; V422-K431 CarbonylContact O-C 3.19Å; V422-K431 WeakPolarHBondContact O-CA 3.39Å; V422-K431 WeakPolarHBondContact O-CB 3.35Å; V422-K431 PolarHBondContact O-N 3.05Å; V422-I433 HydrophobicContact CB-CD1 3.62Å; V422-I433 HydrophobicContact CB-CG1 3.65Å; V422-I433 HydrophobicContact CG1-CD1 4.25Å; V422-I433 HydrophobicContact CG2-CD1 3.62Å; V422-I433 HydrophobicContact CG2-CG1 3.19Å
423	I	48.2	Very low	74.2	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	85.1	176.6	-59.8	177.4	0	0	0	107.4	H425 M628 R643	I423-H425 HydrophobicContact CG2-CB 3.66Å; I423-H425 PolarHBondContact O-N 3.3Å; I423-M628 HydrophobicContact CD1-CB 3.65Å; I423-M628 HydrophobicContact CD1-CE 3.2Å; I423-M628 HydrophobicContact CD1-CG 3.11Å; I423-M628 HydrophobicContact CD1-SD 3.51Å; I423-M628 VanDerWaalsContact CD1-SD 3.51Å; I423-M628 HydrophobicContact CG1-CE 3.96Å; I423-R643 HydrophobicContact CD1-CB 4.11Å; I423-R643 HydrophobicContact CD1-CG 4.33Å
424	D	44	Very low	74	Confident	55 Å²	55	53.2 Å²	53.2	29%	0.294	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	76.4	154.1	-156.9	-5.2	0	0	0	107.7	V422 I426 K429 K431	V422-D424 VanDerWaalsContact C-N 3.27Å; V422-D424 PolarHBondContact O-N 3.28Å; D424-I426 PolarHBondContact O-N 3.11Å; D424-I426 WeakPolarHBondContact OD1-CB 3.13Å; D424-I426 VanDerWaalsContact OD1-CD1 3.31Å; D424-I426 WeakPolarHBondContact OD1-CD1 3.39Å; D424-I426 WeakPolarHBondContact OD1-CG1 3.28Å; D424-I426 PolarHBondContact OD1-N 3.44Å; D424-K429 CarbonylContact C-O 3.59Å; D424-K431 HydrophobicContact CB-CB 4Å; D424-K431 HydrophobicContact CB-CD 3.94Å; D424-K431 IonicContact OD2-NZ 3.94Å
425	H	48.1	Very low	73.8	Confident	64 Å²	64	53.5 Å²	53.5	30%	0.296	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	33	161	-87	2.6	0	0	0	111.6	I423 N427 G428 K429 Y642	I423-H425 HydrophobicContact CG2-CB 3.66Å; I423-H425 PolarHBondContact O-N 3.3Å; H425-N427 PolarHBondContact O-N 2.9Å; H425-G428 VanDerWaalsContact CE1-CA 3.43Å; H425-G428 WeakPolarHBondContact CE1-CA 3.39Å; H425-G428 WeakPolarHBondContact ND1-CA 3.43Å; H425-K429 PolarHBondContact ND1-N 3.17Å; H425-Y642 PolarHBondContact NE2-O 3.3Å
426	I	45.1	Very low	73.9	Confident	124 Å²	124	52.7 Å²	52.7	64%	0.636	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	90.9	139.5	-58.1	169.1	0	0	0	105.4	D424	D424-I426 PolarHBondContact O-N 3.11Å; D424-I426 WeakPolarHBondContact OD1-CB 3.13Å; D424-I426 VanDerWaalsContact OD1-CD1 3.31Å; D424-I426 WeakPolarHBondContact OD1-CD1 3.39Å; D424-I426 WeakPolarHBondContact OD1-CG1 3.28Å; D424-I426 PolarHBondContact OD1-N 3.44Å
427	N	52.4	Low	74.1	Confident	149 Å²	149	49.8 Å²	49.8	80%	0.797	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	28.2	179.1	-43.5	-47.7	0	0	0	118.4	H425	H425-N427 PolarHBondContact O-N 2.9Å
428	G	64.5	Low	74.3	Confident	50 Å²	50	47 Å²	47	52%	0.515	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	15.5	161.8	0	0	0	0	0	117.6	H425	H425-G428 VanDerWaalsContact CE1-CA 3.43Å; H425-G428 WeakPolarHBondContact CE1-CA 3.39Å; H425-G428 WeakPolarHBondContact ND1-CA 3.43Å
429	K	76.6	Confident	74.9	Confident	157 Å²	157	47 Å²	47	68%	0.683	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	150.2	-173.8	-66.4	-176.5	179.4	-178.2	0	114.2	D424 H425	D424-K429 CarbonylContact C-O 3.59Å; H425-K429 PolarHBondContact ND1-N 3.17Å
430	D	82.7	Confident	75.5	Confident	62 Å²	62	46.5 Å²	46.5	33%	0.332	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	135.8	172.6	-63.3	-27.8	0	0	0	110.2	R643	D430-R643 IonicContact OD1-NE 3.59Å; D430-R643 IonicContact OD2-NE 3.83Å; D430-R643 PolarHBondContact OD2-NE 3.37Å; D430-R643 IonicContact OD2-NH2 3.96Å
431	K	85.1	Confident	77	Confident	118 Å²	118	47.7 Å²	47.7	51%	0.513	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.7	-178.4	-178.6	-177.2	179.3	-177.8	0	110.1	V422 D424	V422-K431 CarbonylContact C-O 3.29Å; V422-K431 WeakPolarHBondContact CA-O 3.21Å; V422-K431 PolarHBondContact N-O 3.43Å; V422-K431 CarbonylContact O-C 3.19Å; V422-K431 WeakPolarHBondContact O-CA 3.39Å; V422-K431 WeakPolarHBondContact O-CB 3.35Å; V422-K431 PolarHBondContact O-N 3.05Å; D424-K431 HydrophobicContact CB-CB 4Å; D424-K431 HydrophobicContact CB-CD 3.94Å; D424-K431 IonicContact OD2-NZ 3.94Å
432	V	88.4	Confident	78.6	Confident	55 Å²	55	46.4 Å²	46.4	33%	0.333	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	140.5	177.4	176.7	0	0	0	0	110.6	Q419 R420 P434	Q419-V432 HydrophobicContact CB-CG1 4.01Å; Q419-V432 HydrophobicContact CB-CG2 4.46Å; R420-V432 WeakPolarHBondContact O-CA 3.5Å; V432-P434 WeakPolarHBondContact O-CD 3.35Å
433	I	88.7	Confident	80.7	Confident	14 Å²	14	45.9 Å²	45.9	7%	0.072	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	113.7	168.1	-63.2	-59.8	0	0	0	108.5	M225 L284 R420 V422 G435 L436	M225-I433 HydrophobicContact CE-CG2 4.24Å; L284-I433 HydrophobicContact CD2-CD1 4.42Å; R420-I433 PolarHBondContact O-N 3.18Å; V422-I433 HydrophobicContact CB-CD1 3.62Å; V422-I433 HydrophobicContact CB-CG1 3.65Å; V422-I433 HydrophobicContact CG1-CD1 4.25Å; V422-I433 HydrophobicContact CG2-CD1 3.62Å; V422-I433 HydrophobicContact CG2-CG1 3.19Å; I433-G435 PolarHBondContact O-N 3.24Å; I433-L436 HydrophobicContact CB-CB 4.33Å; I433-L436 HydrophobicContact CG2-CB 3.89Å; I433-L436 HydrophobicContact CG2-CD2 4.26Å; I433-L436 PolarHBondContact O-N 2.83Å
434	P	91.9	Very high	83.1	Confident	60 Å²	60	45.6 Å²	45.6	39%	0.39	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	136.5	-179.1	-23.7	34.7	0	0	0	111.6	E229 C230 V432 L436	E229-P434 HydrophobicContact CB-CB 4.37Å; E229-P434 HydrophobicContact CG-CB 3.97Å; E229-P434 HydrophobicContact CG-CG 4.09Å; C230-P434 PolarHBondContact N-O 2.8Å; V432-P434 WeakPolarHBondContact O-CD 3.35Å; P434-L436 VanDerWaalsContact C-N 3.3Å; P434-L436 PolarHBondContact O-N 3.49Å
435	G	92.7	Very high	85.5	Confident	7 Å²	7	43.5 Å²	43.5	7%	0.072	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.5	9.5	176.9	0	0	0	0	0	115.5	Q249 T251 I433	Q249-G435 WeakPolarHBondContact O-CA 3.45Å; T251-G435 PolarHBondContact N-O 2.77Å; I433-G435 PolarHBondContact O-N 3.24Å
436	L	96.8	Very high	87.7	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.7	-179.5	-168.6	53.1	0	0	0	113.2	L223 C230 T251 I253 L284 R420 I433 P434	L223-L436 HydrophobicContact CD1-CD1 4.21Å; L223-L436 HydrophobicContact CD1-CD2 3.73Å; L223-L436 HydrophobicContact CD2-CD1 4.49Å; C230-L436 HydrophobicContact CB-CB 3.78Å; C230-L436 HydrophobicContact CB-CD1 4.29Å; C230-L436 HydrophobicContact CB-CD2 4.32Å; C230-L436 HydrophobicContact CB-CG 4.36Å; T251-L436 HydrophobicContact CG2-CD1 4.11Å; I253-L436 HydrophobicContact CD1-CD1 3.94Å; I253-L436 HydrophobicContact CG1-CD1 4.13Å; L284-L436 HydrophobicContact CD1-CD2 4.33Å; R420-L436 HydrophobicContact CB-CB 4.23Å; R420-L436 HydrophobicContact CB-CG 4.13Å; R420-L436 WeakPolarHBondContact CB-O 3.22Å; R420-L436 PolarHBondContact N-O 3.27Å; I433-L436 HydrophobicContact CB-CB 4.33Å; I433-L436 HydrophobicContact CG2-CB 3.89Å; I433-L436 HydrophobicContact CG2-CD2 4.26Å; I433-L436 PolarHBondContact O-N 2.83Å; P434-L436 VanDerWaalsContact C-N 3.3Å; P434-L436 PolarHBondContact O-N 3.49Å
437	Y	98.3	Very high	90.3	Very high	5 Å²	5	34.6 Å²	34.6	2%	0.02	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	156.8	-179.3	-67.3	-104.4	0	0	0	109.8	N250 T251 I253 G418 Q419 C468 T471 I472 E475	N250-Y437 HydrophobicContact CB-CE2 4.39Å; N250-Y437 WeakPolarHBondContact OD1-CE2 3.24Å; T251-Y437 PolarHBondContact O-N 3.42Å; I253-Y437 PolarHBondContact N-O 3.07Å; G418-Y437 VanDerWaalsContact O-CA 3.28Å; G418-Y437 WeakPolarHBondContact O-CA 3.35Å; G418-Y437 WeakPolarHBondContact O-CB 3.46Å; G418-Y437 WeakPolarHBondContact O-CD1 3.4Å; Q419-Y437 HydrophobicContact CB-CD1 4.41Å; Q419-Y437 HydrophobicContact CB-CE1 4.18Å; Q419-Y437 HydrophobicContact CG-CD1 3.95Å; Q419-Y437 HydrophobicContact CG-CE1 3.28Å; Y437-C468 HydrophobicContact CD1-CB 4.18Å; Y437-T471 HydrophobicContact CE1-CG2 3.98Å; Y437-I472 HydrophobicContact CD1-CD1 4.46Å; Y437-I472 HydrophobicContact CD1-CG1 4.46Å; Y437-I472 HydrophobicContact CD2-CD1 4.01Å; Y437-I472 HydrophobicContact CD2-CG1 4.21Å; Y437-I472 HydrophobicContact CE1-CD1 4.39Å; Y437-I472 HydrophobicContact CE1-CG1 3.9Å; Y437-I472 HydrophobicContact CE2-CD1 3.97Å; Y437-I472 HydrophobicContact CE2-CG1 3.67Å; Y437-I472 HydrophobicContact CG-CD1 4.29Å; Y437-I472 VanDerWaalsContact CZ-CG1 3.49Å; Y437-E475 PolarHBondContact OH-OE2 3.36Å
438	A	98.5	Very high	92.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	147.8	169.6	0	0	0	0	0	111	I253 I412 T414 G418 A443	I253-A438 HydrophobicContact CB-CB 4.3Å; I253-A438 VanDerWaalsContact O-CA 3.25Å; I253-A438 WeakPolarHBondContact O-CA 3.47Å; I412-A438 HydrophobicContact CB-CB 3.98Å; I412-A438 HydrophobicContact CD1-CB 4.12Å; I412-A438 HydrophobicContact CG2-CB 4.01Å; T414-A438 HydrophobicContact CG2-CB 3.8Å; G418-A438 PolarHBondContact O-N 3.1Å; G418-A438 VanDerWaalsContact O-N 3.09Å; A438-A443 HydrophobicContact CB-CB 3.86Å
439	C	98.4	Very high	94.1	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	13%	0.131	C	C	.	.			trans	-151	162	176.4	58.1	0	0	0	0	112.8	A71 I253 F464	A71-C439 HydrophobicContact CB-CB 4.46Å; I253-C439 PolarHBondContact O-N 3.44Å; C439-F464 HydrophobicContact CB-CB 4.01Å
440	G	98.4	Very high	95.1	Very high	2 Å²	2	18 Å²	18	2%	0.021	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	69.4	-157.9	-173.7	0	0	0	0	0	113.1	A442 A443	G440-A442 PolarHBondContact O-N 2.8Å; G440-A443 WeakPolarHBondContact O-CA 3.47Å; G440-A443 WeakPolarHBondContact O-CB 3.42Å; G440-A443 PolarHBondContact O-N 2.92Å
441	E	98.8	Very high	95.9	Very high	25 Å²	25	15.1 Å²	15.1	12%	0.117	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-61.8	-19.7	-172.8	-173.7	175	-167.7	0	0	114.6	G257 Y407 N408 A443	G257-E441 PolarHBondContact N-OE2 3.38Å; Y407-E441 WeakPolarHBondContact CA-OE1 3.45Å; Y407-E441 HydrophobicContact CD2-CG 3.85Å; Y407-E441 VanDerWaalsContact CD2-OE1 3.23Å; Y407-E441 WeakPolarHBondContact CD2-OE1 3.48Å; Y407-E441 HydrophobicContact CE2-CB 3.72Å; Y407-E441 VanDerWaalsContact CE2-CD 3.49Å; Y407-E441 HydrophobicContact CE2-CG 3.44Å; Y407-E441 VanDerWaalsContact CE2-CG 3.44Å; N408-E441 HydrophobicContact CB-CG 4.47Å; N408-E441 PolarHBondContact N-OE1 3.02Å; E441-A443 PolarHBondContact O-N 3.18Å
442	A	98.6	Very high	96.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-73.2	-17.1	173.2	0	0	0	0	0	112.7	I253 G411 I412 G440	I253-A442 HydrophobicContact CG2-CB 4.36Å; G411-A442 CarbonylContact C-O 3.51Å; G411-A442 WeakPolarHBondContact CA-O 3.45Å; I412-A442 WeakPolarHBondContact CG1-O 3.4Å; I412-A442 PolarHBondContact N-O 2.79Å; G440-A442 PolarHBondContact O-N 2.8Å
443	A	98.4	Very high	97	Very high	7 Å²	7	7.5 Å²	7.5	6%	0.058	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	158.6	-177.3	0	0	0	0	0	112.1	I412 T414 A438 G440 E441	I412-A443 CarbonylContact O-C 3.08Å; I412-A443 WeakPolarHBondContact O-CA 3.29Å; T414-A443 HydrophobicContact CG2-CB 4.23Å; A438-A443 HydrophobicContact CB-CB 3.86Å; G440-A443 WeakPolarHBondContact O-CA 3.47Å; G440-A443 WeakPolarHBondContact O-CB 3.42Å; G440-A443 PolarHBondContact O-N 2.92Å; E441-A443 PolarHBondContact O-N 3.18Å
444	C	98.1	Very high	97.3	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.014	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	80.8	175.2	-172.8	0	0	0	0	107.7	Q287 I412 P413 T414 S446	Q287-C444 HydrophobicContact CB-CB 4.08Å; Q287-C444 PolarHBondContact NE2-SG 2.88Å; I412-C444 PolarHBondContact O-N 3.3Å; P413-C444 WeakPolarHBondContact CA-O 3.31Å; T414-C444 PolarHBondContact N-O 3.46Å; T414-C444 VanDerWaalsContact N-O 3.15Å; C444-S446 VanDerWaalsContact SG-CB 3.6Å
445	A	95.8	Very high	97.6	Very high	10 Å²	10	4.4 Å²	4.4	8%	0.083	3%	0.028	C	C	.	.			trans	-65.5	-28.8	-175.5	0	0	0	0	0	117	A137 T414 V447 F464	A137-A445 HydrophobicContact CB-CB 4.27Å; T414-A445 CarbonylContact O-C 3.57Å; T414-A445 WeakPolarHBondContact OG1-CA 3.21Å; A445-V447 HydrophobicContact CB-CG1 4.38Å; A445-F464 HydrophobicContact CB-CE1 4.43Å; A445-F464 HydrophobicContact CB-CZ 4.38Å
446	S	94.6	Very high	97.9	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.007	2%	0.024	C	C	.	.	S	Bend	cis	-102.4	107.4	-15.5	-179.3	0	0	0	0	111.2	G133 D134 C444 H448 G449	G133-S446 CarbonylContact C-O 3.47Å; G133-S446 VanDerWaalsContact CA-O 3.23Å; G133-S446 WeakPolarHBondContact CA-O 3.49Å; D134-S446 PolarHBondContact N-O 3.25Å; D134-S446 PolarHBondContact OD2-N 3.3Å; C444-S446 VanDerWaalsContact SG-CB 3.6Å; S446-H448 VanDerWaalsContact C-N 3.31Å; S446-G449 PolarHBondContact OG-N 2.99Å
447	V	98.3	Very high	98	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.006	3%	0.03	C	C	.	.	S	Bend	trans	-82.4	-8.8	176.7	-62.8	0	0	0	0	114.2	T125 A137 I138 M141 A445 D460 F464	T125-V447 WeakPolarHBondContact CG2-O 3.43Å; A137-V447 VanDerWaalsContact C-CG1 3.47Å; A137-V447 HydrophobicContact CB-CG1 3.62Å; A137-V447 WeakPolarHBondContact O-CG1 3.29Å; I138-V447 HydrophobicContact CG1-CB 4.05Å; I138-V447 HydrophobicContact CG1-CG1 4.27Å; M141-V447 HydrophobicContact CB-CG1 4.2Å; M141-V447 HydrophobicContact CE-CB 3.88Å; M141-V447 HydrophobicContact CE-CG1 4.43Å; M141-V447 HydrophobicContact CE-CG2 4.11Å; M141-V447 HydrophobicContact SD-CB 3.94Å; M141-V447 HydrophobicContact SD-CG1 4.22Å; M141-V447 HydrophobicContact SD-CG2 3.66Å; A445-V447 HydrophobicContact CB-CG1 4.38Å; V447-D460 HydrophobicContact CG2-CB 4.44Å; V447-F464 HydrophobicContact CB-CE2 4.5Å; V447-F464 HydrophobicContact CG1-CE2 3.57Å; V447-F464 HydrophobicContact CG1-CZ 3.47Å; V447-F464 VanDerWaalsContact CG1-CZ 3.47Å; V447-F464 HydrophobicContact CG2-CE2 4.16Å
448	H	98.4	Very high	98	Very high	6 Å²	6	5 Å²	5	3%	0.028	3%	0.031	C	C	.	.	S	Bend	trans	-110.6	-19.1	-172.8	-55.3	-57.9	0	0	0	113.3	S129 Y407 M409 S446 A450 N451 R452 D460	S129-H448 WeakPolarHBondContact CA-O 3.43Å; S129-H448 WeakPolarHBondContact CB-O 3.28Å; Y407-H448 PolarHBondContact OH-CD2 3.45Å; Y407-H448 PolarHBondContact OH-NE2 3.01Å; M409-H448 HydrophobicContact CB-CB 4.43Å; M409-H448 HydrophobicContact CG-CB 3.91Å; S446-H448 VanDerWaalsContact C-N 3.31Å; H448-A450 PolarHBondContact O-N 3.15Å; H448-N451 CarbonylContact O-C 3.57Å; H448-N451 PolarHBondContact O-N 3.41Å; H448-N451 VanDerWaalsContact O-N 3.13Å; H448-N451 VanDerWaalsContact O-O 3.09Å; H448-R452 HydrophobicContact CB-CB 3.9Å; H448-R452 HydrophobicContact CB-CG 4.39Å; H448-R452 WeakPolarHBondContact ND1-CD 3.36Å; H448-R452 VanDerWaalsContact ND1-CG 3.29Å; H448-R452 WeakPolarHBondContact ND1-CG 3.49Å; H448-D460 IonicContact CD2-OD2 3.86Å; H448-D460 IonicContact CE1-OD2 2.71Å; H448-D460 IonicContact NE2-OD2 3.39Å; H448-D460 PolarHBondContact NE2-OD2 2.88Å
449	G	98.5	Very high	98	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	-126.4	-177.3	0	0	0	0	0	113	L132 M409 S446	L132-G449 VanDerWaalsContact C-CA 3.47Å; L132-G449 VanDerWaalsContact O-CA 3.24Å; L132-G449 WeakPolarHBondContact O-CA 3.28Å; M409-G449 VanDerWaalsContact CB-O 3.26Å; M409-G449 WeakPolarHBondContact CB-O 3.36Å; S446-G449 PolarHBondContact OG-N 2.99Å
450	A	98.6	Very high	97.9	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-10.4	-175.6	0	0	0	0	0	114.4	S129 D130 L132 F291 H448 R590 A592	S129-A450 WeakPolarHBondContact O-CB 3.47Å; S129-A450 PolarHBondContact O-N 3.45Å; D130-A450 HydrophobicContact CB-CB 4.32Å; L132-A450 HydrophobicContact CB-CB 4.22Å; L132-A450 HydrophobicContact CD2-CB 4.04Å; F291-A450 HydrophobicContact CD1-CB 3.55Å; F291-A450 HydrophobicContact CE1-CB 3.41Å; F291-A450 VanDerWaalsContact CE1-CB 3.41Å; F291-A450 HydrophobicContact CG-CB 4.41Å; F291-A450 HydrophobicContact CZ-CB 4.16Å; H448-A450 PolarHBondContact O-N 3.15Å; A450-R590 HydrophobicContact CB-CB 4.37Å; A450-R590 HydrophobicContact CB-CG 3.66Å; A450-A592 WeakPolarHBondContact O-CB 3.45Å; A450-A592 PolarHBondContact O-N 3.48Å
451	N	98.6	Very high	97.9	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.011	4%	0.035	C	C	.	.	S	Bend	trans	-159.8	119.5	177.1	166.5	80.2	0	0	0	111.3	G128 Q293 D340 H448 R663	G128-N451 CarbonylContact C-O 3.6Å; G128-N451 VanDerWaalsContact C-O 3.29Å; G128-N451 WeakPolarHBondContact O-CB 3.39Å; G128-N451 PolarHBondContact O-ND2 2.98Å; Q293-N451 PolarHBondContact NE2-OD1 3.43Å; D340-N451 HydrophobicContact CB-CB 4.4Å; D340-N451 VanDerWaalsContact OD1-CG 3.26Å; D340-N451 PolarHBondContact OD1-ND2 2.85Å; D340-N451 PolarHBondContact OD1-OD1 3Å; H448-N451 CarbonylContact O-C 3.57Å; H448-N451 PolarHBondContact O-N 3.41Å; H448-N451 VanDerWaalsContact O-N 3.13Å; H448-N451 VanDerWaalsContact O-O 3.09Å; N451-R663 PolarHBondContact ND2-NH2 2.74Å
452	R	98.6	Very high	97.9	Very high	9 Å²	9	4.6 Å²	4.6	3%	0.034	3%	0.029	C	C	.	.	P	Polyproline II helix	trans	-75.3	135.4	175.6	177.6	169.7	67.5	69.1	-5.2	112.5	Q293 H406 Y407 M409 H448	Q293-R452 PolarHBondContact NE2-O 3.15Å; H406-R452 PolarHBondContact CD2-NH2 3.28Å; H406-R452 PolarHBondContact NE2-NH2 3.25Å; Y407-R452 VanDerWaalsContact CB-NH2 3.28Å; Y407-R452 HydrophobicContact CD1-CB 4.25Å; Y407-R452 VanDerWaalsContact CD2-NE 3.34Å; Y407-R452 HydrophobicContact CE1-CB 4.31Å; Y407-R452 VanDerWaalsContact CE1-CD 3.48Å; Y407-R452 HydrophobicContact CE1-CG 4.48Å; Y407-R452 VanDerWaalsContact CE1-NE 3.3Å; Y407-R452 VanDerWaalsContact CG-NH2 3.28Å; M409-R452 HydrophobicContact CG-CB 4.23Å; M409-R452 HydrophobicContact SD-CB 4.3Å; H448-R452 HydrophobicContact CB-CB 3.9Å; H448-R452 HydrophobicContact CB-CG 4.39Å; H448-R452 WeakPolarHBondContact ND1-CD 3.36Å; H448-R452 VanDerWaalsContact ND1-CG 3.29Å; H448-R452 WeakPolarHBondContact ND1-CG 3.49Å
453	L	97.6	Very high	97.9	Very high	4 Å²	4	4.8 Å²	4.8	2%	0.021	3%	0.03	C	C	.	.	P	Polyproline II helix	trans	-70.7	143.3	164.6	-65.6	-172.9	0	0	0	112	D124 N456	D124-L453 HydrophobicContact CB-CD1 3.93Å; D124-L453 WeakPolarHBondContact O-CD1 3.44Å; L453-N456 PolarHBondContact O-N 3.46Å
454	G	96.1	Very high	97.9	Very high	1 Å²	1	4.6 Å²	4.6	1%	0.01	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	145.6	172.6	0	0	0	0	0	111.7	N107 R339 N456	N107-G454 PolarHBondContact ND2-O 3.4Å; R339-G454 VanDerWaalsContact CZ-CA 3.5Å; R339-G454 VanDerWaalsContact NH2-CA 3.33Å; G454-N456 PolarHBondContact O-N 3.49Å; G454-N456 VanDerWaalsContact O-N 3.11Å
455	A	97.9	Very high	98	Very high	9 Å²	9	4.5 Å²	4.5	7%	0.074	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	-4	-175.2	0	0	0	0	0	117.6	G105 N107 F172 C188	G105-A455 VanDerWaalsContact C-CB 3.47Å; G105-A455 WeakPolarHBondContact O-CA 3.26Å; G105-A455 WeakPolarHBondContact O-CB 3.28Å; N107-A455 PolarHBondContact N-O 2.9Å; N107-A455 VanDerWaalsContact OD1-CB 3.3Å; N107-A455 WeakPolarHBondContact OD1-CB 3.42Å; F172-A455 HydrophobicContact CD1-CB 4.32Å; F172-A455 HydrophobicContact CE1-CB 4.36Å; C188-A455 HydrophobicContact CB-CB 4.43Å; C188-A455 WeakPolarHBondContact SG-CB 3.25Å
456	N	98.4	Very high	98.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-74.7	-22.2	171.2	-84.2	11.4	0	0	0	113.7	N107 H121 T125 M141 L453 G454 L459 D460	N107-N456 PolarHBondContact ND2-N 3.45Å; N107-N456 PolarHBondContact ND2-OD1 2.99Å; H121-N456 PolarHBondContact NE2-OD1 2.79Å; T125-N456 WeakPolarHBondContact CG2-ND2 3.36Å; T125-N456 PolarHBondContact OG1-ND2 2.95Å; M141-N456 HydrophobicContact CE-CB 4.49Å; L453-N456 PolarHBondContact O-N 3.46Å; G454-N456 PolarHBondContact O-N 3.49Å; G454-N456 VanDerWaalsContact O-N 3.11Å; N456-L459 WeakPolarHBondContact O-CB 3.31Å; N456-L459 PolarHBondContact O-N 2.9Å; N456-D460 WeakPolarHBondContact O-CB 3.37Å; N456-D460 PolarHBondContact O-N 2.99Å
457	S	98.2	Very high	98.3	Very high	18 Å²	18	7.7 Å²	7.7	13%	0.126	4%	0.038	C	C	.	.	H	α-helix	trans	-67.4	-47.4	-178.9	174.7	0	0	0	0	112.1	Y407 L459 D460 L461	Y407-S457 VanDerWaalsContact CE2-OG 3.31Å; Y407-S457 WeakPolarHBondContact CE2-OG 3.49Å; S457-L459 PolarHBondContact O-N 3.41Å; S457-D460 WeakPolarHBondContact O-CB 3.39Å; S457-D460 PolarHBondContact O-N 2.71Å; S457-L461 VanDerWaalsContact O-CG 3.28Å; S457-L461 WeakPolarHBondContact O-CG 3.32Å; S457-L461 PolarHBondContact O-N 2.65Å
458	L	98.5	Very high	98.3	Very high	8 Å²	8	7.7 Å²	7.7	4%	0.042	4%	0.037	C	C	.	.	H	α-helix	trans	-61.5	-32.8	177.5	-68.4	-172.4	0	0	0	112.1	T99 A102 I106 T195 L199 L461 V462	T99-L458 HydrophobicContact CG2-CD2 3.96Å; A102-L458 HydrophobicContact CB-CD1 4.02Å; A102-L458 HydrophobicContact CB-CD2 3.91Å; A102-L458 HydrophobicContact CB-CG 4.2Å; I106-L458 HydrophobicContact CB-CB 4Å; I106-L458 HydrophobicContact CD1-CB 4.21Å; I106-L458 HydrophobicContact CG1-CB 4.14Å; T195-L458 HydrophobicContact CG2-CD1 4.15Å; L199-L458 HydrophobicContact CD1-CB 4.23Å; L199-L458 HydrophobicContact CD1-CD1 4.29Å; L199-L458 HydrophobicContact CD1-CD2 4.47Å; L458-L461 HydrophobicContact CD2-CD1 3.85Å; L458-V462 PolarHBondContact O-N 3.18Å
459	L	98.6	Very high	98.3	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-64.7	-51.9	173.5	172.2	63.7	0	0	0	111.3	I106 M141 A145 N456 S457 L461 V462 V463	I106-L459 HydrophobicContact CD1-CB 4.3Å; I106-L459 HydrophobicContact CG1-CB 3.91Å; M141-L459 HydrophobicContact CE-CD2 4.45Å; M141-L459 HydrophobicContact CG-CD2 3.71Å; M141-L459 HydrophobicContact CG-CG 3.78Å; M141-L459 HydrophobicContact SD-CD2 4.11Å; M141-L459 HydrophobicContact SD-CG 4.24Å; A145-L459 HydrophobicContact CB-CD1 3.44Å; A145-L459 VanDerWaalsContact CB-CD1 3.44Å; A145-L459 HydrophobicContact CB-CD2 3.69Å; A145-L459 HydrophobicContact CB-CG 4.21Å; N456-L459 WeakPolarHBondContact O-CB 3.31Å; N456-L459 PolarHBondContact O-N 2.9Å; S457-L459 PolarHBondContact O-N 3.41Å; L459-L461 VanDerWaalsContact C-N 3.26Å; L459-L461 PolarHBondContact O-N 2.74Å; L459-V462 WeakPolarHBondContact O-CG2 3.36Å; L459-V462 PolarHBondContact O-N 3.05Å; L459-V463 HydrophobicContact CD1-CG2 3.53Å; L459-V463 HydrophobicContact CG-CG2 4.2Å; L459-V463 WeakPolarHBondContact O-CB 3.43Å; L459-V463 WeakPolarHBondContact O-CG2 3.23Å; L459-V463 PolarHBondContact O-N 3.08Å
460	D	97.9	Very high	98.3	Very high	7 Å²	7	10.5 Å²	10.5	4%	0.037	5%	0.053	C	C	.	.	H	α-helix	trans	-50.4	-47.6	174.2	160.4	7.6	0	0	0	110.9	M141 V447 H448 N456 S457 V462 V463 F464	M141-D460 HydrophobicContact SD-CB 4.09Å; V447-D460 HydrophobicContact CG2-CB 4.44Å; H448-D460 IonicContact CD2-OD2 3.86Å; H448-D460 IonicContact CE1-OD2 2.71Å; H448-D460 IonicContact NE2-OD2 3.39Å; H448-D460 PolarHBondContact NE2-OD2 2.88Å; N456-D460 WeakPolarHBondContact O-CB 3.37Å; N456-D460 PolarHBondContact O-N 2.99Å; S457-D460 WeakPolarHBondContact O-CB 3.39Å; S457-D460 PolarHBondContact O-N 2.71Å; D460-V462 VanDerWaalsContact C-N 3.34Å; D460-V462 PolarHBondContact O-N 2.95Å; D460-V463 PolarHBondContact O-N 3.4Å; D460-F464 HydrophobicContact CB-CD2 4.2Å; D460-F464 PolarHBondContact O-N 3.17Å; D460-F464 VanDerWaalsContact OD1-CD2 3.28Å; D460-F464 WeakPolarHBondContact OD1-CD2 3.29Å
461	L	98.1	Very high	98.2	Very high	11 Å²	11	10.8 Å²	10.8	6%	0.058	6%	0.055	C	C	.	.	H	α-helix	trans	-51.9	-51.9	179.7	-57.5	-169.3	0	0	0	112.4	A71 T99 S457 L458 L459 G465	A71-L461 WeakPolarHBondContact CA-O 3.45Å; A71-L461 HydrophobicContact CB-CB 4.04Å; A71-L461 HydrophobicContact CB-CD2 4.01Å; T99-L461 HydrophobicContact CG2-CD1 3.84Å; S457-L461 VanDerWaalsContact O-CG 3.28Å; S457-L461 WeakPolarHBondContact O-CG 3.32Å; S457-L461 PolarHBondContact O-N 2.65Å; L458-L461 HydrophobicContact CD2-CD1 3.85Å; L459-L461 VanDerWaalsContact C-N 3.26Å; L459-L461 PolarHBondContact O-N 2.74Å; L461-G465 WeakPolarHBondContact O-CA 3.26Å; L461-G465 PolarHBondContact O-N 3.36Å
462	V	98.4	Very high	98.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-81	-31.4	-172.7	-62.3	0	0	0	0	112.5	R74 I106 A148 L152 L199 L203 L458 L459 D460 R466	R74-V462 HydrophobicContact CG-CB 4.48Å; R74-V462 WeakPolarHBondContact CG-O 3.44Å; I106-V462 HydrophobicContact CD1-CG2 3.98Å; A148-V462 HydrophobicContact CB-CG2 4.01Å; L152-V462 HydrophobicContact CD1-CG1 4.26Å; L152-V462 HydrophobicContact CD1-CG2 4.49Å; L152-V462 HydrophobicContact CD2-CG1 4.28Å; L199-V462 HydrophobicContact CD1-CG1 4.34Å; L203-V462 HydrophobicContact CD1-CG1 4.26Å; L458-V462 PolarHBondContact O-N 3.18Å; L459-V462 WeakPolarHBondContact O-CG2 3.36Å; L459-V462 PolarHBondContact O-N 3.05Å; D460-V462 VanDerWaalsContact C-N 3.34Å; D460-V462 PolarHBondContact O-N 2.95Å; V462-R466 VanDerWaalsContact O-CB 3.23Å; V462-R466 WeakPolarHBondContact O-CB 3.49Å; V462-R466 PolarHBondContact O-N 3.42Å
463	V	98.8	Very high	98.1	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.024	7%	0.069	C	C	.	.	H	α-helix	trans	-72.7	-54.1	177.3	173.3	0	0	0	0	110.6	Y140 Q144 A148 L459 D460 R466 A467	Y140-V463 HydrophobicContact CD1-CG1 3.67Å; Y140-V463 HydrophobicContact CE1-CG1 3.5Å; Q144-V463 HydrophobicContact CB-CG1 4.17Å; Q144-V463 HydrophobicContact CB-CG2 4.27Å; A148-V463 HydrophobicContact CB-CG2 3.96Å; L459-V463 HydrophobicContact CD1-CG2 3.53Å; L459-V463 HydrophobicContact CG-CG2 4.2Å; L459-V463 WeakPolarHBondContact O-CB 3.43Å; L459-V463 WeakPolarHBondContact O-CG2 3.23Å; L459-V463 PolarHBondContact O-N 3.08Å; D460-V463 PolarHBondContact O-N 3.4Å; V463-R466 WeakPolarHBondContact O-CB 3.22Å; V463-R466 PolarHBondContact O-N 3.21Å; V463-A467 WeakPolarHBondContact O-CB 3.43Å; V463-A467 PolarHBondContact O-N 3.34Å
464	F	98.7	Very high	98.1	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.013	10%	0.099	C	C	.	.	H	α-helix	trans	-78.5	-28.6	-175.6	-67.6	-73.2	0	0	0	112.7	A137 Y140 M141 Y416 C439 A445 V447 D460 R466 A467 C468	A137-F464 HydrophobicContact CB-CZ 4.33Å; Y140-F464 HydrophobicContact CD1-CE1 4.13Å; M141-F464 HydrophobicContact CB-CE2 3.98Å; M141-F464 HydrophobicContact CB-CZ 4.1Å; M141-F464 HydrophobicContact CG-CE2 4.14Å; M141-F464 HydrophobicContact SD-CE2 4.26Å; Y416-F464 VanDerWaalsContact O-CE1 3.29Å; Y416-F464 WeakPolarHBondContact O-CE1 3.47Å; C439-F464 HydrophobicContact CB-CB 4.01Å; A445-F464 HydrophobicContact CB-CE1 4.43Å; A445-F464 HydrophobicContact CB-CZ 4.38Å; V447-F464 HydrophobicContact CB-CE2 4.5Å; V447-F464 HydrophobicContact CG1-CE2 3.57Å; V447-F464 HydrophobicContact CG1-CZ 3.47Å; V447-F464 VanDerWaalsContact CG1-CZ 3.47Å; V447-F464 HydrophobicContact CG2-CE2 4.16Å; D460-F464 HydrophobicContact CB-CD2 4.2Å; D460-F464 PolarHBondContact O-N 3.17Å; D460-F464 VanDerWaalsContact OD1-CD2 3.28Å; D460-F464 WeakPolarHBondContact OD1-CD2 3.29Å; F464-R466 VanDerWaalsContact C-N 3.28Å; F464-R466 PolarHBondContact O-N 3.26Å; F464-A467 HydrophobicContact CD1-CB 4.41Å; F464-A467 PolarHBondContact O-N 3.48Å; F464-C468 PolarHBondContact O-N 2.92Å; F464-C468 PolarHBondContact O-SG 2.98Å
465	G	98.6	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.1	-42.8	167.2	0	0	0	0	0	111.8	A75 L461	A75-G465 VanDerWaalsContact CA-O 3.24Å; A75-G465 WeakPolarHBondContact CA-O 3.49Å; A75-G465 WeakPolarHBondContact CB-O 3.45Å; L461-G465 WeakPolarHBondContact O-CA 3.26Å; L461-G465 PolarHBondContact O-N 3.36Å
466	R	98.6	Very high	97.9	Very high	77 Å²	77	24.4 Å²	24.4	29%	0.291	12%	0.124	S	C	.	.	H	α-helix	trans	-68.5	-41.8	173.4	-178.1	178	-176.1	-88.3	-6.4	112.1	R74 E151 V462 V463 F464 C468 A469 L470	R74-R466 HydrophobicContact CG-CB 4.2Å; R74-R466 VanDerWaalsContact NH2-CD 3.27Å; E151-R466 IonicContact OE1-NE 2.73Å; V462-R466 VanDerWaalsContact O-CB 3.23Å; V462-R466 WeakPolarHBondContact O-CB 3.49Å; V462-R466 PolarHBondContact O-N 3.42Å; V463-R466 WeakPolarHBondContact O-CB 3.22Å; V463-R466 PolarHBondContact O-N 3.21Å; F464-R466 VanDerWaalsContact C-N 3.28Å; F464-R466 PolarHBondContact O-N 3.26Å; R466-C468 VanDerWaalsContact C-N 3.35Å; R466-C468 PolarHBondContact O-N 3.46Å; R466-A469 PolarHBondContact O-N 3.31Å; R466-A469 VanDerWaalsContact O-N 3.15Å; R466-L470 HydrophobicContact CG-CD1 4.16Å; R466-L470 HydrophobicContact CG-CG 4.35Å; R466-L470 VanDerWaalsContact NH1-CD1 3.35Å; R466-L470 WeakPolarHBondContact O-CG 3.3Å; R466-L470 PolarHBondContact O-N 2.93Å
467	A	98.4	Very high	97.7	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.017	16%	0.156	C	C	.	.	H	α-helix	trans	-60.6	-40.9	-179.6	0	0	0	0	0	112.5	Y140 V463 F464 A469 L470 T471	Y140-A467 HydrophobicContact CE1-CB 3.91Å; V463-A467 WeakPolarHBondContact O-CB 3.43Å; V463-A467 PolarHBondContact O-N 3.34Å; F464-A467 HydrophobicContact CD1-CB 4.41Å; F464-A467 PolarHBondContact O-N 3.48Å; A467-A469 VanDerWaalsContact C-N 3.34Å; A467-A469 PolarHBondContact O-N 3.44Å; A467-L470 PolarHBondContact O-N 2.71Å; A467-T471 WeakPolarHBondContact O-CB 3.48Å; A467-T471 PolarHBondContact O-N 3.13Å; A467-T471 PolarHBondContact O-OG1 2.99Å
468	C	98.3	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59	-45.9	173.8	-65.6	0	0	0	0	111.4	V252 Y437 F464 R466 T471 I472	V252-C468 HydrophobicContact CG1-CB 4.37Å; Y437-C468 HydrophobicContact CD1-CB 4.18Å; F464-C468 PolarHBondContact O-N 2.92Å; F464-C468 PolarHBondContact O-SG 2.98Å; R466-C468 VanDerWaalsContact C-N 3.35Å; R466-C468 PolarHBondContact O-N 3.46Å; C468-T471 PolarHBondContact O-N 2.95Å; C468-I472 WeakPolarHBondContact O-CB 3.24Å; C468-I472 WeakPolarHBondContact O-CD1 3.37Å; C468-I472 VanDerWaalsContact O-CG1 3.28Å; C468-I472 WeakPolarHBondContact O-CG1 3.25Å; C468-I472 PolarHBondContact O-N 3.27Å
469	A	98.3	Very high	97.3	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.033	20%	0.199	C	C	.	.	H	α-helix	trans	-64.1	-42.8	180	0	0	0	0	0	112.4	L79 R466 A467 A473	L79-A469 HydrophobicContact CD2-CB 4.22Å; L79-A469 HydrophobicContact CG-CB 3.94Å; R466-A469 PolarHBondContact O-N 3.31Å; R466-A469 VanDerWaalsContact O-N 3.15Å; A467-A469 VanDerWaalsContact C-N 3.34Å; A467-A469 PolarHBondContact O-N 3.44Å; A469-A473 WeakPolarHBondContact O-CB 3.15Å; A469-A473 PolarHBondContact O-N 3.3Å
470	L	98.3	Very high	97	Very high	61 Å²	61	40.1 Å²	40.1	32%	0.319	22%	0.215	S	C	.	.	H	α-helix	trans	-63.7	-44.8	176.2	-69.8	177.9	0	0	0	111.9	R466 A467 I472 A473 E474	R466-L470 HydrophobicContact CG-CD1 4.16Å; R466-L470 HydrophobicContact CG-CG 4.35Å; R466-L470 VanDerWaalsContact NH1-CD1 3.35Å; R466-L470 WeakPolarHBondContact O-CG 3.3Å; R466-L470 PolarHBondContact O-N 2.93Å; A467-L470 PolarHBondContact O-N 2.71Å; L470-I472 PolarHBondContact O-N 3.38Å; L470-A473 CarbonylContact O-C 3.52Å; L470-A473 PolarHBondContact O-N 2.92Å; L470-A473 VanDerWaalsContact O-N 3.15Å; L470-E474 WeakPolarHBondContact O-CG 3.46Å; L470-E474 PolarHBondContact O-N 3.16Å
471	T	97.9	Very high	96.7	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.037	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-44.2	-179.9	-55.4	0	0	0	0	111.3	K417 Q419 Y437 A467 C468 A473 E474 E475	K417-T471 HydrophobicContact CB-CG2 4.18Å; K417-T471 HydrophobicContact CD-CG2 4.19Å; K417-T471 PolarHBondContact O-OG1 3.17Å; Q419-T471 HydrophobicContact CG-CG2 3.93Å; Y437-T471 HydrophobicContact CE1-CG2 3.98Å; A467-T471 WeakPolarHBondContact O-CB 3.48Å; A467-T471 PolarHBondContact O-N 3.13Å; A467-T471 PolarHBondContact O-OG1 2.99Å; C468-T471 PolarHBondContact O-N 2.95Å; T471-A473 VanDerWaalsContact C-N 3.28Å; T471-A473 PolarHBondContact O-N 3.18Å; T471-E474 PolarHBondContact O-N 3.02Å; T471-E475 HydrophobicContact CG2-CG 4.45Å; T471-E475 WeakPolarHBondContact O-CB 3.45Å; T471-E475 WeakPolarHBondContact O-CG 3.5Å; T471-E475 PolarHBondContact O-N 2.86Å
472	I	97.6	Very high	96.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-39.4	174.9	-69.7	165	0	0	0	110.7	L79 F84 N250 V252 Y437 C468 L470 E474 E475 H476	L79-I472 HydrophobicContact CD1-CD1 4.43Å; L79-I472 HydrophobicContact CD2-CB 3.8Å; L79-I472 HydrophobicContact CD2-CD1 3.85Å; L79-I472 HydrophobicContact CD2-CG1 4.43Å; L79-I472 HydrophobicContact CD2-CG2 3.62Å; F84-I472 HydrophobicContact CD1-CG2 4.25Å; F84-I472 HydrophobicContact CE1-CG2 3.81Å; F84-I472 HydrophobicContact CE2-CG2 4.41Å; F84-I472 HydrophobicContact CZ-CG2 3.9Å; N250-I472 HydrophobicContact CB-CD1 3.84Å; N250-I472 HydrophobicContact CB-CG1 4.16Å; N250-I472 HydrophobicContact CB-CG2 4.38Å; V252-I472 HydrophobicContact CG2-CD1 3.94Å; Y437-I472 HydrophobicContact CD1-CD1 4.46Å; Y437-I472 HydrophobicContact CD1-CG1 4.46Å; Y437-I472 HydrophobicContact CD2-CD1 4.01Å; Y437-I472 HydrophobicContact CD2-CG1 4.21Å; Y437-I472 HydrophobicContact CE1-CD1 4.39Å; Y437-I472 HydrophobicContact CE1-CG1 3.9Å; Y437-I472 HydrophobicContact CE2-CD1 3.97Å; Y437-I472 HydrophobicContact CE2-CG1 3.67Å; Y437-I472 HydrophobicContact CG-CD1 4.29Å; Y437-I472 VanDerWaalsContact CZ-CG1 3.49Å; C468-I472 WeakPolarHBondContact O-CB 3.24Å; C468-I472 WeakPolarHBondContact O-CD1 3.37Å; C468-I472 VanDerWaalsContact O-CG1 3.28Å; C468-I472 WeakPolarHBondContact O-CG1 3.25Å; C468-I472 PolarHBondContact O-N 3.27Å; L470-I472 PolarHBondContact O-N 3.38Å; I472-E474 VanDerWaalsContact C-N 3.33Å; I472-E474 PolarHBondContact O-N 3.19Å; I472-E475 PolarHBondContact O-N 2.85Å; I472-H476 WeakPolarHBondContact O-CA 3.35Å; I472-H476 WeakPolarHBondContact O-CB 3.25Å; I472-H476 PolarHBondContact O-N 3.13Å
473	A	97.4	Very high	95.8	Very high	42 Å²	42	52.2 Å²	52.2	35%	0.347	28%	0.275	S	S	.	.	H	α-helix	trans	-69.8	-26.8	177	0	0	0	0	0	114	A82 F84 A469 L470 T471	A82-A473 HydrophobicContact CB-CB 3.98Å; F84-A473 HydrophobicContact CE2-CB 3.92Å; A469-A473 WeakPolarHBondContact O-CB 3.15Å; A469-A473 PolarHBondContact O-N 3.3Å; L470-A473 CarbonylContact O-C 3.52Å; L470-A473 PolarHBondContact O-N 2.92Å; L470-A473 VanDerWaalsContact O-N 3.15Å; T471-A473 VanDerWaalsContact C-N 3.28Å; T471-A473 PolarHBondContact O-N 3.18Å
474	E	96.8	Very high	95.3	Very high	141 Å²	141	57 Å²	57	66%	0.659	31%	0.305	S	S	*	.	H	α-helix	trans	-77.1	-38.3	174.1	-74.9	172	-166	0	0	112.1	L470 T471 I472	L470-E474 WeakPolarHBondContact O-CG 3.46Å; L470-E474 PolarHBondContact O-N 3.16Å; T471-E474 PolarHBondContact O-N 3.02Å; I472-E474 VanDerWaalsContact C-N 3.33Å; I472-E474 PolarHBondContact O-N 3.19Å
475	E	94.6	Very high	94.9	Very high	91 Å²	91	58.1 Å²	58.1	43%	0.425	31%	0.312	S	S	.	.	H	α-helix	trans	-95.1	-24.1	-171.3	-66.5	-176.2	172.9	0	0	114.2	Q419 Y437 T471 I472	Q419-E475 PolarHBondContact NE2-OE1 3.15Å; Q419-E475 PolarHBondContact NE2-OE2 3.35Å; Y437-E475 PolarHBondContact OH-OE2 3.36Å; T471-E475 HydrophobicContact CG2-CG 4.45Å; T471-E475 WeakPolarHBondContact O-CB 3.45Å; T471-E475 WeakPolarHBondContact O-CG 3.5Å; T471-E475 PolarHBondContact O-N 2.86Å; I472-E475 PolarHBondContact O-N 2.85Å
476	H	95.1	Very high	94.6	Very high	38 Å²	38	63.9 Å²	63.9	18%	0.176	34%	0.337	C	S	.	.			trans	-130.8	164.3	-174.6	-67.3	-77.1	0	0	0	112.5	F84 N250 I472 E480	F84-H476 HydrophobicContact CE1-CB 4.14Å; F84-H476 HydrophobicContact CZ-CB 4.38Å; F84-H476 WeakPolarHBondContact CZ-O 3.47Å; N250-H476 PolarHBondContact ND2-CD2 2.87Å; I472-H476 WeakPolarHBondContact O-CA 3.35Å; I472-H476 WeakPolarHBondContact O-CB 3.25Å; I472-H476 PolarHBondContact O-N 3.13Å; H476-E480 IonicContact CG-OE2 3.77Å; H476-E480 IonicContact ND1-OE2 2.66Å; H476-E480 PolarHBondContact ND1-OE2 2.95Å; H476-E480 VanDerWaalsContact ND1-OE2 3.12Å
477	K	95.4	Very high	94.1	Very high	154 Å²	154	64.2 Å²	64.2	67%	0.67	35%	0.349	S	S	*	.			trans	-119.7	143.8	174.8	-60.8	-177.1	-177.7	-176.6	0	111.7	G479 E480	K477-G479 PolarHBondContact O-N 2.77Å; K477-E480 HydrophobicContact CB-CG 4.29Å; K477-E480 PolarHBondContact N-OE1 2.85Å; K477-E480 WeakPolarHBondContact O-CG 3.31Å; K477-E480 PolarHBondContact O-N 2.76Å
478	P	96	Very high	93.7	Very high	64 Å²	64	66.5 Å²	66.5	42%	0.416	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	137.9	172	-25.7	34.7	0	0	0	112.5	G83 F84	G83-P478 WeakPolarHBondContact O-CB 3.38Å; F84-P478 HydrophobicContact CD1-CG 4.16Å; F84-P478 HydrophobicContact CD2-CG 3.97Å; F84-P478 HydrophobicContact CE1-CG 4.22Å; F84-P478 HydrophobicContact CE2-CG 4.04Å; F84-P478 HydrophobicContact CG-CG 4.03Å; F84-P478 HydrophobicContact CZ-CG 4.16Å
479	G	91.8	Very high	93.5	Very high	64 Å²	64	67.4 Å²	67.4	66%	0.66	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	12.7	178.2	0	0	0	0	0	115.4	D62 K477	D62-G479 WeakPolarHBondContact OD1-CA 3.46Å; D62-G479 PolarHBondContact OD1-N 2.56Å; K477-G479 PolarHBondContact O-N 2.77Å
480	E	92.3	Very high	93.2	Very high	73 Å²	73	68 Å²	68	34%	0.341	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-58.5	143.2	170.7	-82.9	175.2	-172.5	0	0	111.6	H476 K477 L482	H476-E480 IonicContact CG-OE2 3.77Å; H476-E480 IonicContact ND1-OE2 2.66Å; H476-E480 PolarHBondContact ND1-OE2 2.95Å; H476-E480 VanDerWaalsContact ND1-OE2 3.12Å; K477-E480 HydrophobicContact CB-CG 4.29Å; K477-E480 PolarHBondContact N-OE1 2.85Å; K477-E480 WeakPolarHBondContact O-CG 3.31Å; K477-E480 PolarHBondContact O-N 2.76Å; E480-L482 PolarHBondContact O-N 2.87Å
481	K	91.3	Very high	93	Very high	198 Å²	198	69.6 Å²	69.6	86%	0.861	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-69.8	117.6	-177.9	-175.8	179.9	178.5	-178.1	0	109.8
482	L	90.9	Very high	92.9	Very high	26 Å²	26	76.9 Å²	76.9	14%	0.136	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-61.6	137.6	175.3	-60.3	-179.5	0	0	0	111.6	E60 R247 Q249 E480	E60-L482 HydrophobicContact CB-CD1 3.77Å; E60-L482 HydrophobicContact CG-CD1 3.88Å; R247-L482 HydrophobicContact CB-CD1 4.06Å; Q249-L482 HydrophobicContact CB-CD2 4.02Å; E480-L482 PolarHBondContact O-N 2.87Å
483	S	86.1	Confident	92.9	Very high	49 Å²	49	77.2 Å²	77.2	34%	0.343	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-60.7	148.4	170.8	-73.5	0	0	0	0	111.1	R247	R247-S483 PolarHBondContact NH2-O 2.69Å
484	P	88.9	Confident	92.8	Very high	103 Å²	103	75.5 Å²	75.5	67%	0.669	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-56.3	148.5	172.3	-22	32.4	0	0	0	110.9	K231	K231-P484 PolarHBondContact NZ-O 3.41Å
485	L	90.2	Very high	92.8	Very high	28 Å²	28	71.7 Å²	71.7	15%	0.147	40%	0.398	C	S	.	.			trans	-121	137.7	171.6	-177.1	71.9	0	0	0	107.4	L224 K231 R247 A489	L224-L485 HydrophobicContact CB-CD1 4.23Å; L224-L485 HydrophobicContact CD1-CD2 3.88Å; K231-L485 HydrophobicContact CB-CD1 4.29Å; K231-L485 HydrophobicContact CD-CD1 4.36Å; R247-L485 HydrophobicContact CG-CD2 3.93Å; L485-A489 HydrophobicContact CD1-CB 3.63Å; L485-A489 HydrophobicContact CD2-CB 3.84Å; L485-A489 HydrophobicContact CG-CB 3.57Å
486	K	92.3	Very high	93	Very high	121 Å²	121	69.2 Å²	69.2	53%	0.526	39%	0.387	S	S	.	.			trans	-56.5	138.8	174.9	-76.8	167.7	-178.7	170.7	0	110.9	E226 R245 S488 A489	E226-K486 VanDerWaalsContact OE1-CD 3.31Å; E226-K486 WeakPolarHBondContact OE1-CD 3.39Å; E226-K486 WeakPolarHBondContact OE1-CE 3.31Å; E226-K486 VanDerWaalsContact OE1-CG 3.3Å; E226-K486 WeakPolarHBondContact OE1-CG 3.21Å; E226-K486 IonicContact OE1-NZ 3.34Å; R245-K486 PolarHBondContact NH1-O 3.33Å; K486-S488 PolarHBondContact O-N 3.23Å; K486-A489 HydrophobicContact CB-CB 4.45Å; K486-A489 VanDerWaalsContact O-CB 3.23Å; K486-A489 WeakPolarHBondContact O-CB 3.39Å; K486-A489 PolarHBondContact O-N 2.96Å
487	P	89.1	Confident	93.1	Very high	84 Å²	84	67.4 Å²	67.4	55%	0.545	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-37.5	176.7	-28	35.7	0	0	0	113.1	I50 R245 A489	I50-P487 WeakPolarHBondContact CD1-O 3.47Å; I50-P487 WeakPolarHBondContact CG1-O 3.35Å; R245-P487 PolarHBondContact NH1-O 3.37Å; P487-A489 VanDerWaalsContact C-N 3.31Å; P487-A489 PolarHBondContact O-N 2.67Å
488	S	89.7	Confident	93.2	Very high	50 Å²	50	62 Å²	62	35%	0.35	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-0.5	178.7	57.5	0	0	0	0	115.5	K486 G490 E491	K486-S488 PolarHBondContact O-N 3.23Å; S488-G490 PolarHBondContact O-N 3.47Å; S488-G490 VanDerWaalsContact O-N 3.13Å; S488-E491 VanDerWaalsContact CB-OE2 3.29Å; S488-E491 WeakPolarHBondContact CB-OE2 3.43Å; S488-E491 WeakPolarHBondContact O-CB 3.08Å; S488-E491 WeakPolarHBondContact O-CG 3.5Å; S488-E491 PolarHBondContact O-N 3.32Å
489	A	93.2	Very high	93.3	Very high	19 Å²	19	65 Å²	65	16%	0.157	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	121	-176.9	0	0	0	0	0	111.1	L224 R245 L485 K486 P487	L224-A489 HydrophobicContact CD2-CB 4.08Å; R245-A489 WeakPolarHBondContact CD-O 3.24Å; R245-A489 PolarHBondContact NH1-O 3.13Å; L485-A489 HydrophobicContact CD1-CB 3.63Å; L485-A489 HydrophobicContact CD2-CB 3.84Å; L485-A489 HydrophobicContact CG-CB 3.57Å; K486-A489 HydrophobicContact CB-CB 4.45Å; K486-A489 VanDerWaalsContact O-CB 3.23Å; K486-A489 WeakPolarHBondContact O-CB 3.39Å; K486-A489 PolarHBondContact O-N 2.96Å; P487-A489 VanDerWaalsContact C-N 3.31Å; P487-A489 PolarHBondContact O-N 2.67Å
490	G	93.3	Very high	93.6	Very high	15 Å²	15	62 Å²	62	16%	0.155	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.4	-0.6	-177.1	0	0	0	0	0	115.3	S488 E492 S493 V494	S488-G490 PolarHBondContact O-N 3.47Å; S488-G490 VanDerWaalsContact O-N 3.13Å; G490-E492 VanDerWaalsContact C-N 3.29Å; G490-E492 PolarHBondContact O-N 3.28Å; G490-S493 WeakPolarHBondContact O-CB 3.48Å; G490-S493 PolarHBondContact O-N 3.46Å; G490-S493 VanDerWaalsContact O-N 3.16Å; G490-V494 PolarHBondContact O-N 3.1Å
491	E	94.1	Very high	93.9	Very high	95 Å²	95	60.5 Å²	60.5	44%	0.444	32%	0.324	S	S	.	.	H	α-helix	trans	-58.9	-37.2	179.9	71	-174.1	-179.5	0	0	113.3	I50 S488 S493 V494 A495	I50-E491 HydrophobicContact CG2-CB 3.9Å; S488-E491 VanDerWaalsContact CB-OE2 3.29Å; S488-E491 WeakPolarHBondContact CB-OE2 3.43Å; S488-E491 WeakPolarHBondContact O-CB 3.08Å; S488-E491 WeakPolarHBondContact O-CG 3.5Å; S488-E491 PolarHBondContact O-N 3.32Å; E491-S493 VanDerWaalsContact C-N 3.32Å; E491-S493 PolarHBondContact O-N 3.2Å; E491-V494 PolarHBondContact O-N 3.02Å; E491-A495 WeakPolarHBondContact O-CB 3.45Å; E491-A495 PolarHBondContact O-N 2.9Å
492	E	94.9	Very high	94.2	Very high	159 Å²	159	55.8 Å²	55.8	74%	0.743	30%	0.304	S	S	*	.	H	α-helix	trans	-64.1	-37.1	178.2	-64.6	-174.8	-170.1	0	0	112	G490 A495 N496	G490-E492 VanDerWaalsContact C-N 3.29Å; G490-E492 PolarHBondContact O-N 3.28Å; E492-A495 PolarHBondContact O-N 2.92Å; E492-N496 WeakPolarHBondContact O-CB 3.26Å; E492-N496 PolarHBondContact O-N 2.91Å
493	S	97.1	Very high	94.6	Very high	8 Å²	8	55.1 Å²	55.1	6%	0.056	30%	0.302	C	S	.	.	H	α-helix	trans	-66.6	-41.1	177.2	-51.1	0	0	0	0	111.3	D222 G490 E491 N496 L497	D222-S493 WeakPolarHBondContact CB-OG 3.38Å; D222-S493 WeakPolarHBondContact OD2-CB 3.41Å; D222-S493 PolarHBondContact OD2-OG 3.41Å; G490-S493 WeakPolarHBondContact O-CB 3.48Å; G490-S493 PolarHBondContact O-N 3.46Å; G490-S493 VanDerWaalsContact O-N 3.16Å; E491-S493 VanDerWaalsContact C-N 3.32Å; E491-S493 PolarHBondContact O-N 3.2Å; S493-N496 PolarHBondContact O-N 2.74Å; S493-L497 WeakPolarHBondContact O-CB 3.25Å; S493-L497 PolarHBondContact O-N 2.78Å
494	V	96.8	Very high	95.1	Very high	6 Å²	6	58.4 Å²	58.4	4%	0.036	32%	0.316	C	S	.	.	H	α-helix	trans	-66.8	-42	175.8	-179.7	0	0	0	0	110.6	Y54 I234 I243 G490 E491 N496 L497 D498	Y54-V494 HydrophobicContact CD2-CG1 3.7Å; Y54-V494 HydrophobicContact CE2-CG1 4.38Å; Y54-V494 HydrophobicContact CG-CG1 4.03Å; I234-V494 HydrophobicContact CD1-CG2 4Å; I243-V494 HydrophobicContact CG1-CG2 4.32Å; I243-V494 HydrophobicContact CG2-CG2 3.99Å; G490-V494 PolarHBondContact O-N 3.1Å; E491-V494 PolarHBondContact O-N 3.02Å; V494-N496 PolarHBondContact O-N 2.79Å; V494-L497 PolarHBondContact O-N 2.77Å; V494-D498 PolarHBondContact O-N 2.88Å
495	A	96.6	Very high	95.5	Very high	60 Å²	60	54.9 Å²	54.9	50%	0.496	30%	0.298	S	S	.	.	H	α-helix	trans	-62.9	-40.2	175.8	0	0	0	0	0	112.4	E491 E492 K499	E491-A495 WeakPolarHBondContact O-CB 3.45Å; E491-A495 PolarHBondContact O-N 2.9Å; E492-A495 PolarHBondContact O-N 2.92Å; A495-K499 VanDerWaalsContact O-CB 3.3Å; A495-K499 WeakPolarHBondContact O-CB 3.22Å; A495-K499 PolarHBondContact O-N 3.5Å
496	N	98	Very high	95.9	Very high	39 Å²	39	59.1 Å²	59.1	21%	0.209	32%	0.321	C	S	.	.	H	α-helix	trans	-63.9	-45	173.9	176.5	58.2	0	0	0	111.9	E492 S493 V494 D498 K499 L500 Q570	E492-N496 WeakPolarHBondContact O-CB 3.26Å; E492-N496 PolarHBondContact O-N 2.91Å; S493-N496 PolarHBondContact O-N 2.74Å; V494-N496 PolarHBondContact O-N 2.79Å; N496-D498 PolarHBondContact O-N 3.08Å; N496-K499 PolarHBondContact O-N 2.89Å; N496-L500 WeakPolarHBondContact O-CG 3.37Å; N496-L500 PolarHBondContact O-N 3.39Å; N496-Q570 PolarHBondContact ND2-OE1 2.96Å; N496-Q570 PolarHBondContact OD1-NE2 2.85Å; N496-Q570 PolarHBondContact OD1-OE1 3.28Å
497	L	98.1	Very high	96.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57.6	-49.3	176.4	-178.6	159.4	0	0	0	111.1	Y54 L221 L236 I243 S493 V494 L500 R501 I557 L563	Y54-L497 HydrophobicContact CE1-CD2 4.11Å; L221-L497 HydrophobicContact CD1-CD1 3.99Å; L221-L497 HydrophobicContact CD2-CD1 4.29Å; L236-L497 HydrophobicContact CB-CD1 4.23Å; L236-L497 HydrophobicContact CD1-CD1 4.23Å; L236-L497 HydrophobicContact CD2-CD1 4.09Å; L236-L497 HydrophobicContact CG-CD1 4.41Å; I243-L497 HydrophobicContact CD1-CD1 3.94Å; S493-L497 WeakPolarHBondContact O-CB 3.25Å; S493-L497 PolarHBondContact O-N 2.78Å; V494-L497 PolarHBondContact O-N 2.77Å; L497-L500 PolarHBondContact O-N 3.49Å; L497-R501 WeakPolarHBondContact O-CB 3.38Å; L497-R501 PolarHBondContact O-N 3.4Å; L497-I557 HydrophobicContact CD2-CD1 4.03Å; L497-L563 HydrophobicContact CD2-CD2 3.89Å; L497-L563 HydrophobicContact CG-CD1 4.44Å; L497-L563 HydrophobicContact CG-CD2 4.05Å
498	D	97.7	Very high	96.6	Very high	42 Å²	42	57.8 Å²	57.8	23%	0.225	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-44	179.7	-170.8	72.1	0	0	0	112.2	Y54 V494 N496 L500 R501 F502	Y54-D498 HydrophobicContact CE2-CB 3.96Å; Y54-D498 VanDerWaalsContact CE2-OD1 3.31Å; Y54-D498 WeakPolarHBondContact CE2-OD1 3.45Å; Y54-D498 PolarHBondContact OH-OD1 3.3Å; V494-D498 PolarHBondContact O-N 2.88Å; N496-D498 PolarHBondContact O-N 3.08Å; D498-L500 VanDerWaalsContact C-N 3.3Å; D498-L500 PolarHBondContact O-N 2.66Å; D498-R501 WeakPolarHBondContact O-CB 3.3Å; D498-R501 PolarHBondContact O-N 3.35Å; D498-R501 VanDerWaalsContact O-N 3.17Å; D498-F502 PolarHBondContact O-N 3.08Å; D498-F502 WeakPolarHBondContact OD1-CE2 3.46Å
499	K	97.6	Very high	97	Very high	126 Å²	126	55.6 Å²	55.6	55%	0.548	29%	0.29	S	S	.	.	H	α-helix	trans	-54.8	-45	174	172.7	-173.6	157.8	-174.4	0	111.7	A495 N496 A503	A495-K499 VanDerWaalsContact O-CB 3.3Å; A495-K499 WeakPolarHBondContact O-CB 3.22Å; A495-K499 PolarHBondContact O-N 3.5Å; N496-K499 PolarHBondContact O-N 2.89Å; K499-A503 WeakPolarHBondContact O-CA 3.16Å; K499-A503 WeakPolarHBondContact O-CB 3.48Å; K499-A503 PolarHBondContact O-N 3.45Å
500	L	98.1	Very high	97.2	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-70.8	-39.1	178.3	-69.2	-179.8	0	0	0	112.2	N496 L497 D498 F502 A503 I550 T552 L563 L567 Q570	N496-L500 WeakPolarHBondContact O-CG 3.37Å; N496-L500 PolarHBondContact O-N 3.39Å; L497-L500 PolarHBondContact O-N 3.49Å; D498-L500 VanDerWaalsContact C-N 3.3Å; D498-L500 PolarHBondContact O-N 2.66Å; L500-F502 VanDerWaalsContact C-N 3.26Å; L500-F502 PolarHBondContact O-N 2.9Å; L500-A503 VanDerWaalsContact O-CB 3.3Å; L500-A503 WeakPolarHBondContact O-CB 3.3Å; L500-A503 PolarHBondContact O-N 2.85Å; L500-I550 HydrophobicContact CD2-CD1 4.38Å; L500-I550 HydrophobicContact CD2-CG2 4.01Å; L500-T552 WeakPolarHBondContact O-CG2 3.4Å; L500-T552 PolarHBondContact O-OG1 2.78Å; L500-L563 HydrophobicContact CB-CD1 3.66Å; L500-L567 HydrophobicContact CD1-CD2 3.53Å; L500-L567 HydrophobicContact CD1-CG 3.87Å; L500-Q570 HydrophobicContact CD1-CG 4.4Å
501	R	98.1	Very high	97.5	Very high	40 Å²	40	60.5 Å²	60.5	15%	0.151	31%	0.312	C	S	.	.	H	α-helix	trans	-59	-39.7	179	-176.5	-176.3	176.5	-171.7	-2.3	111.9	Y54 L497 D498 T552 R555 G556 L563	Y54-R501 WeakPolarHBondContact OH-CD 3.43Å; Y54-R501 PolarHBondContact OH-NH1 3.49Å; L497-R501 WeakPolarHBondContact O-CB 3.38Å; L497-R501 PolarHBondContact O-N 3.4Å; D498-R501 WeakPolarHBondContact O-CB 3.3Å; D498-R501 PolarHBondContact O-N 3.35Å; D498-R501 VanDerWaalsContact O-N 3.17Å; R501-T552 PolarHBondContact O-OG1 3.31Å; R501-R555 VanDerWaalsContact CZ-O 3.27Å; R501-R555 PolarHBondContact NE-O 2.82Å; R501-R555 PolarHBondContact NH2-O 2.74Å; R501-R555 VanDerWaalsContact O-CD 3.31Å; R501-R555 WeakPolarHBondContact O-CD 3.49Å; R501-R555 PolarHBondContact O-NH1 2.86Å; R501-G556 PolarHBondContact NE-O 3.34Å; R501-L563 HydrophobicContact CB-CD1 4.15Å; R501-L563 HydrophobicContact CB-CD2 4.12Å; R501-L563 HydrophobicContact CG-CD2 4.36Å
502	F	98.2	Very high	97.7	Very high	100 Å²	100	56 Å²	56	44%	0.439	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	14.5	179	-63.4	-67.5	0	0	0	113.8	D498 L500 N504 R555	D498-F502 PolarHBondContact O-N 3.08Å; D498-F502 WeakPolarHBondContact OD1-CE2 3.46Å; L500-F502 VanDerWaalsContact C-N 3.26Å; L500-F502 PolarHBondContact O-N 2.9Å; F502-N504 PolarHBondContact O-N 3.45Å; F502-R555 VanDerWaalsContact C-NH1 3.29Å; F502-R555 HydrophobicContact CD1-CG 4.5Å; F502-R555 HydrophobicContact CE1-CB 4.06Å; F502-R555 HydrophobicContact CE1-CG 4.48Å
503	A	98.1	Very high	97.9	Very high	12 Å²	12	51.1 Å²	51.1	10%	0.099	27%	0.265	C	S	.	.			trans	-59.6	125.2	179.1	0	0	0	0	0	110.9	K499 L500 I550 T552 R555	K499-A503 WeakPolarHBondContact O-CA 3.16Å; K499-A503 WeakPolarHBondContact O-CB 3.48Å; K499-A503 PolarHBondContact O-N 3.45Å; L500-A503 VanDerWaalsContact O-CB 3.3Å; L500-A503 WeakPolarHBondContact O-CB 3.3Å; L500-A503 PolarHBondContact O-N 2.85Å; A503-I550 HydrophobicContact CB-CG2 3.74Å; A503-I550 WeakPolarHBondContact CB-O 3.35Å; A503-T552 PolarHBondContact O-N 3.28Å; A503-T552 VanDerWaalsContact O-N 3.1Å; A503-T552 PolarHBondContact O-OG1 2.87Å; A503-R555 PolarHBondContact O-NH1 3.43Å; A503-R555 PolarHBondContact O-NH2 3.41Å
504	N	97.7	Very high	97.9	Very high	117 Å²	117	53.6 Å²	53.6	63%	0.626	28%	0.278	S	S	*	.	B	Isolated β-bridge	trans	-133.2	40.6	-175.3	-165.9	37	0	0	0	111.7	F502	F502-N504 PolarHBondContact O-N 3.45Å
505	G	97.3	Very high	98	Very high	29 Å²	29	56.9 Å²	56.9	30%	0.299	30%	0.295	S	S	.	.	S	Bend	trans	-72.2	-151.5	171.4	0	0	0	0	0	112.5	K549 I550 K551	G505-K549 CarbonylContact C-O 3.06Å; G505-K549 WeakPolarHBondContact CA-O 3.44Å; G505-I550 WeakPolarHBondContact CA-O 3.31Å; G505-I550 PolarHBondContact N-O 3.46Å; G505-K551 WeakPolarHBondContact O-CD 3.48Å
506	N	97.2	Very high	98.1	Very high	117 Å²	117	54 Å²	54	63%	0.626	27%	0.272	S	S	*	.	S	Bend	trans	-120.7	-4.1	-176.2	67.1	-10.6	0	0	0	114.8	K549	N506-K549 PolarHBondContact N-O 2.93Å; N506-K549 WeakPolarHBondContact OD1-CB 3.26Å
507	L	98	Very high	98.2	Very high	47 Å²	47	53.2 Å²	53.2	25%	0.246	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130	178	-67.6	177.3	0	0	0	111	I512 K549 I550 K551	L507-I512 HydrophobicContact CB-CD1 3.99Å; L507-I512 HydrophobicContact CB-CG1 3.98Å; L507-I512 HydrophobicContact CD1-CG1 4.33Å; L507-K549 HydrophobicContact CD1-CB 4.26Å; L507-K549 HydrophobicContact CG-CB 4.45Å; L507-K549 PolarHBondContact N-O 3.1Å; L507-I550 CarbonylContact O-C 3.5Å; L507-I550 WeakPolarHBondContact O-CA 3.12Å; L507-K551 WeakPolarHBondContact O-CB 3.5Å; L507-K551 PolarHBondContact O-N 2.86Å
508	R	98.4	Very high	98.2	Very high	130 Å²	130	58.1 Å²	58.1	49%	0.491	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	151.2	178.9	-54.7	-174	-176.7	-176.6	-1.3	110.9	S510 E511 I512 F553	R508-S510 PolarHBondContact O-N 3.16Å; R508-E511 HydrophobicContact CB-CG 4.21Å; R508-E511 PolarHBondContact N-OE2 2.93Å; R508-E511 VanDerWaalsContact N-OE2 3.16Å; R508-E511 WeakPolarHBondContact O-CB 3.33Å; R508-E511 PolarHBondContact O-N 2.78Å; R508-I512 PolarHBondContact O-N 3.47Å; R508-F553 HydrophobicContact CG-CE2 3.79Å; R508-F553 HydrophobicContact CG-CZ 4.02Å
509	T	98.6	Very high	98.2	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-49.6	-43.9	173.9	-56.7	0	0	0	0	112.4	E511 I512 R513 S566 L569	T509-E511 VanDerWaalsContact C-N 3.32Å; T509-E511 PolarHBondContact O-N 3.03Å; T509-I512 PolarHBondContact O-N 3.4Å; T509-R513 VanDerWaalsContact O-CB 3.26Å; T509-R513 WeakPolarHBondContact O-CB 3.18Å; T509-R513 PolarHBondContact O-N 3.2Å; T509-S566 WeakPolarHBondContact CG2-OG 3.48Å; T509-S566 PolarHBondContact OG1-OG 3.27Å; T509-L569 HydrophobicContact CG2-CB 4.19Å; T509-L569 HydrophobicContact CG2-CD2 3.81Å
510	S	98.4	Very high	98.2	Very high	58 Å²	58	50.8 Å²	50.8	41%	0.406	26%	0.255	S	S	.	.	H	α-helix	trans	-62.8	-34	178.5	58.9	0	0	0	0	114	R508 L514	R508-S510 PolarHBondContact O-N 3.16Å; S510-L514 WeakPolarHBondContact O-CB 3.4Å; S510-L514 PolarHBondContact O-N 2.83Å
511	E	98.4	Very high	98.2	Very high	79 Å²	79	52.9 Å²	52.9	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-72.4	-47	-179.2	-68.1	169.7	178.6	0	0	110.6	R508 T509 R513 L514 N515	R508-E511 HydrophobicContact CB-CG 4.21Å; R508-E511 PolarHBondContact N-OE2 2.93Å; R508-E511 VanDerWaalsContact N-OE2 3.16Å; R508-E511 WeakPolarHBondContact O-CB 3.33Å; R508-E511 PolarHBondContact O-N 2.78Å; T509-E511 VanDerWaalsContact C-N 3.32Å; T509-E511 PolarHBondContact O-N 3.03Å; E511-R513 VanDerWaalsContact C-N 3.33Å; E511-R513 PolarHBondContact O-N 2.89Å; E511-L514 PolarHBondContact O-N 2.85Å; E511-N515 VanDerWaalsContact O-CG 3.23Å; E511-N515 PolarHBondContact O-N 3.01Å; E511-N515 PolarHBondContact O-ND2 2.96Å
512	I	98.6	Very high	98	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-43.5	177.2	-57.3	174.5	0	0	0	110	L507 R508 T509 L514 N515 M516 V543 M547 I550 L569	L507-I512 HydrophobicContact CB-CD1 3.99Å; L507-I512 HydrophobicContact CB-CG1 3.98Å; L507-I512 HydrophobicContact CD1-CG1 4.33Å; R508-I512 PolarHBondContact O-N 3.47Å; T509-I512 PolarHBondContact O-N 3.4Å; I512-L514 VanDerWaalsContact C-N 3.35Å; I512-L514 PolarHBondContact O-N 3.48Å; I512-N515 PolarHBondContact O-N 3.38Å; I512-M516 PolarHBondContact O-N 2.9Å; I512-V543 HydrophobicContact CG2-CG1 3.96Å; I512-M547 HydrophobicContact CD1-SD 4.31Å; I512-M547 HydrophobicContact CG2-CG 4.5Å; I512-M547 HydrophobicContact CG2-SD 3.73Å; I512-I550 HydrophobicContact CD1-CB 4.19Å; I512-I550 HydrophobicContact CD1-CG1 4.2Å; I512-L569 HydrophobicContact CB-CD2 3.91Å; I512-L569 HydrophobicContact CG2-CD2 3.97Å
513	R	98.8	Very high	98	Very high	56 Å²	56	52.3 Å²	52.3	21%	0.211	27%	0.269	C	S	.	.	H	α-helix	trans	-57.1	-46.2	175.2	-176.7	167.4	62	-141.3	10	112.1	T509 E511 N515 M516 Q517 E565 L569	T509-R513 VanDerWaalsContact O-CB 3.26Å; T509-R513 WeakPolarHBondContact O-CB 3.18Å; T509-R513 PolarHBondContact O-N 3.2Å; E511-R513 VanDerWaalsContact C-N 3.33Å; E511-R513 PolarHBondContact O-N 2.89Å; R513-N515 VanDerWaalsContact C-N 3.34Å; R513-N515 PolarHBondContact O-N 3.34Å; R513-M516 HydrophobicContact CG-CE 4.46Å; R513-M516 PolarHBondContact O-N 2.69Å; R513-Q517 WeakPolarHBondContact O-CB 3.31Å; R513-Q517 VanDerWaalsContact O-CG 3.27Å; R513-Q517 WeakPolarHBondContact O-CG 3.22Å; R513-Q517 PolarHBondContact O-N 3.14Å; R513-E565 IonicContact CZ-OE2 3.07Å; R513-E565 VanDerWaalsContact CZ-OE2 3.28Å; R513-E565 IonicContact NH1-OE2 3.65Å; R513-E565 PolarHBondContact NH1-OE2 3.14Å; R513-E565 IonicContact NH2-OE2 2.91Å; R513-E565 PolarHBondContact NH2-OE2 3.41Å; R513-L569 HydrophobicContact CB-CD1 3.87Å; R513-L569 HydrophobicContact CG-CD1 4.35Å
514	L	98.5	Very high	98	Very high	60 Å²	60	51.8 Å²	51.8	31%	0.314	26%	0.264	S	S	.	.	H	α-helix	trans	-65.1	-38.6	178.8	-175.9	61.6	0	0	0	112	F263 S510 E511 I512 Q517 K518	F263-L514 HydrophobicContact CD2-CD1 3.77Å; F263-L514 HydrophobicContact CE2-CD1 3.68Å; S510-L514 WeakPolarHBondContact O-CB 3.4Å; S510-L514 PolarHBondContact O-N 2.83Å; E511-L514 PolarHBondContact O-N 2.85Å; I512-L514 VanDerWaalsContact C-N 3.35Å; I512-L514 PolarHBondContact O-N 3.48Å; L514-Q517 PolarHBondContact O-N 3.45Å; L514-K518 HydrophobicContact CD1-CD 4.35Å; L514-K518 HydrophobicContact CD1-CG 4.21Å; L514-K518 HydrophobicContact CG-CD 4.26Å; L514-K518 HydrophobicContact CG-CG 4.46Å; L514-K518 WeakPolarHBondContact O-CB 3.33Å; L514-K518 WeakPolarHBondContact O-CG 3.46Å; L514-K518 PolarHBondContact O-N 3.31Å
515	N	98.4	Very high	97.8	Very high	76 Å²	76	47.4 Å²	47.4	41%	0.406	25%	0.245	S	C	.	.	H	α-helix	trans	-63	-44.9	176.7	-69.2	-19.9	0	0	0	111.6	E511 I512 R513 T519 V543	E511-N515 VanDerWaalsContact O-CG 3.23Å; E511-N515 PolarHBondContact O-N 3.01Å; E511-N515 PolarHBondContact O-ND2 2.96Å; I512-N515 PolarHBondContact O-N 3.38Å; R513-N515 VanDerWaalsContact C-N 3.34Å; R513-N515 PolarHBondContact O-N 3.34Å; N515-T519 VanDerWaalsContact O-CB 3.32Å; N515-T519 WeakPolarHBondContact O-CB 3.11Å; N515-T519 PolarHBondContact O-N 3Å; N515-T519 PolarHBondContact O-OG1 3.16Å; N515-V543 HydrophobicContact CB-CG1 4.35Å; N515-V543 HydrophobicContact CB-CG2 4.04Å
516	M	98.8	Very high	97.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-51.6	172.5	177.7	-159.6	62	0	0	110.8	T261 I512 R513 K518 T519 M520 M540 V543 L572 M573 A576	T261-M516 HydrophobicContact CG2-SD 4.44Å; I512-M516 PolarHBondContact O-N 2.9Å; R513-M516 HydrophobicContact CG-CE 4.46Å; R513-M516 PolarHBondContact O-N 2.69Å; M516-K518 PolarHBondContact O-N 2.84Å; M516-T519 WeakPolarHBondContact O-CB 3.46Å; M516-T519 PolarHBondContact O-N 2.84Å; M516-T519 VanDerWaalsContact O-N 3.14Å; M516-M520 PolarHBondContact O-N 3.24Å; M516-M540 HydrophobicContact CB-CE 4.48Å; M516-M540 HydrophobicContact CB-SD 4.4Å; M516-M540 HydrophobicContact CG-CE 3.86Å; M516-M540 HydrophobicContact CG-SD 3.86Å; M516-V543 HydrophobicContact CB-CG1 4.11Å; M516-L572 HydrophobicContact CE-CB 3.88Å; M516-L572 HydrophobicContact CE-CD1 4.09Å; M516-L572 HydrophobicContact CE-CG 4.44Å; M516-L572 HydrophobicContact SD-CB 3.76Å; M516-M573 HydrophobicContact CB-SD 3.72Å; M516-M573 HydrophobicContact CG-SD 3.58Å; M516-M573 VanDerWaalsContact CG-SD 3.58Å; M516-M573 HydrophobicContact SD-CG 4.4Å; M516-M573 HydrophobicContact SD-SD 3.52Å; M516-A576 HydrophobicContact CG-CB 4.01Å; M516-A576 HydrophobicContact SD-CB 3.97Å
517	Q	98.6	Very high	97.5	Very high	22 Å²	22	43.2 Å²	43.2	10%	0.103	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-46.2	-177.1	-77.3	175.5	-18.9	0	0	113.4	R260 T261 Y262 F263 R513 L514 T519 M520 Q521	R260-Q517 PolarHBondContact O-NE2 3.06Å; T261-Q517 WeakPolarHBondContact O-CA 3.49Å; Y262-Q517 WeakPolarHBondContact O-CG 3.43Å; F263-Q517 HydrophobicContact CB-CB 4.08Å; F263-Q517 PolarHBondContact N-O 2.95Å; R513-Q517 WeakPolarHBondContact O-CB 3.31Å; R513-Q517 VanDerWaalsContact O-CG 3.27Å; R513-Q517 WeakPolarHBondContact O-CG 3.22Å; R513-Q517 PolarHBondContact O-N 3.14Å; L514-Q517 PolarHBondContact O-N 3.45Å; Q517-T519 VanDerWaalsContact C-N 3.35Å; Q517-M520 PolarHBondContact O-N 3.14Å; Q517-Q521 WeakPolarHBondContact O-CB 3.46Å; Q517-Q521 PolarHBondContact O-N 3.04Å
518	K	98.1	Very high	97.4	Very high	102 Å²	102	41.1 Å²	41.1	44%	0.443	20%	0.203	S	C	.	.	H	α-helix	trans	-67.1	-36.9	176.2	-71.9	-175.6	177	-178.1	0	111.8	F263 L514 M516 Q521 N522	F263-K518 HydrophobicContact CD2-CG 4.39Å; L514-K518 HydrophobicContact CD1-CD 4.35Å; L514-K518 HydrophobicContact CD1-CG 4.21Å; L514-K518 HydrophobicContact CG-CD 4.26Å; L514-K518 HydrophobicContact CG-CG 4.46Å; L514-K518 WeakPolarHBondContact O-CB 3.33Å; L514-K518 WeakPolarHBondContact O-CG 3.46Å; L514-K518 PolarHBondContact O-N 3.31Å; M516-K518 PolarHBondContact O-N 2.84Å; K518-Q521 PolarHBondContact O-N 3.31Å; K518-N522 WeakPolarHBondContact O-CB 3.3Å; K518-N522 VanDerWaalsContact O-CG 3.24Å; K518-N522 PolarHBondContact O-N 2.82Å; K518-N522 PolarHBondContact O-ND2 3.33Å
519	T	98.4	Very high	97.3	Very high	15 Å²	15	36.3 Å²	36.3	9%	0.092	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-48.9	176.3	-57.8	0	0	0	0	110.5	N515 M516 Q517 Q521 N522 H523 K539 M540	N515-T519 VanDerWaalsContact O-CB 3.32Å; N515-T519 WeakPolarHBondContact O-CB 3.11Å; N515-T519 PolarHBondContact O-N 3Å; N515-T519 PolarHBondContact O-OG1 3.16Å; M516-T519 WeakPolarHBondContact O-CB 3.46Å; M516-T519 PolarHBondContact O-N 2.84Å; M516-T519 VanDerWaalsContact O-N 3.14Å; Q517-T519 VanDerWaalsContact C-N 3.35Å; T519-Q521 PolarHBondContact O-N 3.35Å; T519-N522 PolarHBondContact O-N 3.48Å; T519-H523 VanDerWaalsContact O-CB 3.28Å; T519-H523 WeakPolarHBondContact O-CB 3.23Å; T519-H523 PolarHBondContact O-CD2 2.87Å; T519-H523 VanDerWaalsContact O-CD2 3.24Å; T519-H523 PolarHBondContact O-N 2.91Å; T519-K539 HydrophobicContact CG2-CB 3.84Å; T519-M540 HydrophobicContact CG2-CB 4.47Å; T519-M540 HydrophobicContact CG2-CE 3.82Å
520	M	98.5	Very high	97.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-44.7	176.3	-69.1	-57.7	-68	0	0	112.3	T261 Y262 M516 Q517 N522 A524 M540 A576 T579 I580	T261-M520 WeakPolarHBondContact O-CB 3.36Å; T261-M520 WeakPolarHBondContact O-CG 3.47Å; Y262-M520 HydrophobicContact CD1-CB 3.84Å; Y262-M520 HydrophobicContact CD2-CB 4.4Å; Y262-M520 HydrophobicContact CE1-CB 3.91Å; Y262-M520 HydrophobicContact CE1-CE 4.37Å; Y262-M520 WeakPolarHBondContact CE1-O 3.39Å; Y262-M520 HydrophobicContact CE2-CB 4.45Å; Y262-M520 HydrophobicContact CE2-CE 3.85Å; Y262-M520 HydrophobicContact CG-CB 4.1Å; Y262-M520 WeakPolarHBondContact OH-CE 3.42Å; M516-M520 PolarHBondContact O-N 3.24Å; Q517-M520 PolarHBondContact O-N 3.14Å; M520-N522 VanDerWaalsContact C-N 3.32Å; M520-N522 PolarHBondContact O-N 3.02Å; M520-A524 HydrophobicContact CE-CB 3.93Å; M520-A524 CarbonylContact O-C 3.51Å; M520-A524 WeakPolarHBondContact O-CA 3.39Å; M520-A524 PolarHBondContact O-N 2.73Å; M520-M540 HydrophobicContact CG-CE 3.63Å; M520-M540 HydrophobicContact SD-CE 3.61Å; M520-A576 HydrophobicContact CG-CB 4.24Å; M520-A576 HydrophobicContact SD-CB 4.09Å; M520-T579 HydrophobicContact CE-CG2 3.57Å; M520-I580 HydrophobicContact SD-CB 4.18Å; M520-I580 HydrophobicContact SD-CD1 4.24Å
521	Q	96.9	Very high	97.1	Very high	46 Å²	46	38.4 Å²	38.4	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-39.4	-179.1	-167	68.6	52.4	0	0	112.6	F263 Q517 K518 T519	F263-Q521 HydrophobicContact CB-CB 3.94Å; F263-Q521 HydrophobicContact CB-CG 4.14Å; Q517-Q521 WeakPolarHBondContact O-CB 3.46Å; Q517-Q521 PolarHBondContact O-N 3.04Å; K518-Q521 PolarHBondContact O-N 3.31Å; T519-Q521 PolarHBondContact O-N 3.35Å
522	N	95.1	Very high	97	Very high	115 Å²	115	37 Å²	37	62%	0.615	20%	0.201	S	C	*	.	H	α-helix	trans	-85.9	-30.3	-176.4	-67.1	-17.1	0	0	0	112.9	K518 T519 M520	K518-N522 WeakPolarHBondContact O-CB 3.3Å; K518-N522 VanDerWaalsContact O-CG 3.24Å; K518-N522 PolarHBondContact O-N 2.82Å; K518-N522 PolarHBondContact O-ND2 3.33Å; T519-N522 PolarHBondContact O-N 3.48Å; M520-N522 VanDerWaalsContact C-N 3.32Å; M520-N522 PolarHBondContact O-N 3.02Å
523	H	97.8	Very high	97	Very high	13 Å²	13	37 Å²	37	6%	0.06	20%	0.201	C	C	.	.	H	α-helix	trans	-108.7	-16.6	-170.7	-63.6	-81.8	0	0	0	114.7	T519 V532 L533 E535 K539 I580	T519-H523 VanDerWaalsContact O-CB 3.28Å; T519-H523 WeakPolarHBondContact O-CB 3.23Å; T519-H523 PolarHBondContact O-CD2 2.87Å; T519-H523 VanDerWaalsContact O-CD2 3.24Å; T519-H523 PolarHBondContact O-N 2.91Å; H523-V532 HydrophobicContact CB-CG1 4.22Å; H523-V532 PolarHBondContact ND1-O 3.3Å; H523-L533 VanDerWaalsContact O-CD2 3.3Å; H523-L533 WeakPolarHBondContact O-CD2 3.46Å; H523-E535 VanDerWaalsContact CE1-CD 3.44Å; H523-E535 IonicContact CE1-OE1 3.69Å; H523-E535 IonicContact CE1-OE2 2.85Å; H523-E535 PolarHBondContact CE1-OE2 3.02Å; H523-K539 PolarHBondContact CE1-NZ 2.91Å; H523-K539 PolarHBondContact NE2-NZ 2.89Å; H523-I580 HydrophobicContact CB-CD1 4.03Å
524	A	96.9	Very high	97	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-131	37.9	-177.2	0	0	0	0	0	113	Y262 M520 R528 I580	Y262-A524 HydrophobicContact CE1-CB 4.43Å; Y262-A524 WeakPolarHBondContact CE1-O 3.44Å; Y262-A524 PolarHBondContact OH-O 3Å; Y262-A524 VanDerWaalsContact OH-O 3.11Å; M520-A524 HydrophobicContact CE-CB 3.93Å; M520-A524 CarbonylContact O-C 3.51Å; M520-A524 WeakPolarHBondContact O-CA 3.39Å; M520-A524 PolarHBondContact O-N 2.73Å; A524-R528 PolarHBondContact O-NH2 3.04Å; A524-I580 HydrophobicContact CB-CD1 4.31Å; A524-I580 HydrophobicContact CB-CG1 4.37Å
525	A	94.8	Very high	97	Very high	26 Å²	26	40.4 Å²	40.4	22%	0.215	22%	0.217	C	C	.	.	S	Bend	trans	-73	-160.9	-179.7	0	0	0	0	0	113.9	R528	A525-R528 WeakPolarHBondContact O-CG 3.4Å; A525-R528 PolarHBondContact O-NE 2.78Å
526	V	94.3	Very high	97	Very high	14 Å²	14	36.8 Å²	36.8	9%	0.085	20%	0.198	C	C	.	.	S	Bend	trans	-60.2	-50.7	178.4	175.7	0	0	0	0	111.9	F294 R344 P403	F294-V526 HydrophobicContact CB-CG2 3.99Å; F294-V526 HydrophobicContact CD1-CG2 3.7Å; F294-V526 HydrophobicContact CD2-CG2 3.87Å; F294-V526 HydrophobicContact CE1-CG2 4.13Å; F294-V526 HydrophobicContact CE2-CG2 4.32Å; F294-V526 HydrophobicContact CG-CG2 3.57Å; F294-V526 HydrophobicContact CZ-CG2 4.44Å; R344-V526 HydrophobicContact CG-CG1 3.81Å; P403-V526 HydrophobicContact CB-CG2 4.12Å
527	F	93.4	Very high	97	Very high	43 Å²	43	37.1 Å²	37.1	19%	0.189	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.1	171.5	-72.9	-73.7	0	0	0	109.8	R344 T347 I348 A594 E596	R344-F527 HydrophobicContact CB-CE1 4.47Å; R344-F527 HydrophobicContact CB-CE2 4.25Å; R344-F527 HydrophobicContact CB-CZ 3.75Å; R344-F527 HydrophobicContact CG-CE1 4.02Å; R344-F527 HydrophobicContact CG-CE2 4.26Å; R344-F527 HydrophobicContact CG-CZ 3.72Å; T347-F527 HydrophobicContact CG2-CD2 3.69Å; T347-F527 HydrophobicContact CG2-CE2 3.92Å; I348-F527 HydrophobicContact CD1-CE2 4.44Å; I348-F527 HydrophobicContact CD1-CZ 3.86Å; I348-F527 HydrophobicContact CG1-CE2 3.81Å; I348-F527 HydrophobicContact CG1-CZ 3.7Å; F527-A594 HydrophobicContact CD1-CB 4.24Å; F527-A594 HydrophobicContact CE1-CB 4.48Å; F527-E596 HydrophobicContact CB-CG 4.32Å; F527-E596 HydrophobicContact CD1-CG 3.94Å; F527-E596 HydrophobicContact CG-CG 4.47Å
528	R	95.6	Very high	96.9	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.011	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.5	-175.4	-55.9	172.3	-175	175.4	5.4	109.9	E290 A524 A525 L533 H593 A594 R595 E596	E290-R528 PolarHBondContact O-NH1 2.94Å; E290-R528 PolarHBondContact O-NH2 2.79Å; A524-R528 PolarHBondContact O-NH2 3.04Å; A525-R528 WeakPolarHBondContact O-CG 3.4Å; A525-R528 PolarHBondContact O-NE 2.78Å; R528-L533 HydrophobicContact CB-CD1 3.78Å; R528-L533 HydrophobicContact CB-CD2 4.45Å; R528-L533 HydrophobicContact CB-CG 4.12Å; R528-L533 HydrophobicContact CG-CD2 4.49Å; R528-H593 PolarHBondContact NH1-ND1 3.25Å; R528-A594 PolarHBondContact N-O 3.39Å; R528-R595 CarbonylContact O-C 3.58Å; R528-R595 VanDerWaalsContact O-CA 3.31Å; R528-R595 WeakPolarHBondContact O-CA 3.08Å; R528-E596 PolarHBondContact O-N 2.73Å
529	T	96.4	Very high	96.9	Very high	30 Å²	30	38.7 Å²	38.7	18%	0.184	21%	0.21	C	C	.	.			trans	-140	154.5	172.4	58.8	0	0	0	0	109.5	S531 V532 L533 E596	T529-S531 VanDerWaalsContact C-N 3.33Å; T529-S531 PolarHBondContact O-N 3.11Å; T529-V532 PolarHBondContact O-N 3.36Å; T529-V532 WeakPolarHBondContact OG1-CB 3.47Å; T529-V532 VanDerWaalsContact OG1-CG2 3.27Å; T529-V532 WeakPolarHBondContact OG1-CG2 3.36Å; T529-L533 WeakPolarHBondContact O-CB 3.48Å; T529-L533 WeakPolarHBondContact O-CG 3.25Å; T529-L533 PolarHBondContact O-N 3.07Å; T529-E596 HydrophobicContact CG2-CB 3.95Å; T529-E596 HydrophobicContact CG2-CG 4.37Å
530	G	95.8	Very high	96.9	Very high	14 Å²	14	38 Å²	38	14%	0.144	21%	0.205	C	C	.	.	H	α-helix	trans	-57.4	-41.5	-178	0	0	0	0	0	113.7	K534 R595 D597	G530-K534 WeakPolarHBondContact O-CB 3.37Å; G530-K534 PolarHBondContact O-N 3.41Å; G530-R595 VanDerWaalsContact CA-NH2 3.3Å; G530-D597 WeakPolarHBondContact CA-OD2 3.39Å; G530-D597 PolarHBondContact N-OD2 3Å
531	S	96.9	Very high	96.9	Very high	93 Å²	93	40.3 Å²	40.3	65%	0.65	23%	0.225	S	C	*	.	H	α-helix	trans	-65.1	-46.8	178.8	52	0	0	0	0	112.5	T529 K534 E535	T529-S531 VanDerWaalsContact C-N 3.33Å; T529-S531 PolarHBondContact O-N 3.11Å; S531-K534 PolarHBondContact O-N 2.94Å; S531-E535 PolarHBondContact O-N 3.36Å
532	V	97.2	Very high	96.9	Very high	48 Å²	48	43.6 Å²	43.6	29%	0.291	24%	0.244	S	C	.	.	H	α-helix	trans	-66.7	-40.7	-179.9	172.1	0	0	0	0	111.2	H523 T529 G536	H523-V532 HydrophobicContact CB-CG1 4.22Å; H523-V532 PolarHBondContact ND1-O 3.3Å; T529-V532 PolarHBondContact O-N 3.36Å; T529-V532 WeakPolarHBondContact OG1-CB 3.47Å; T529-V532 VanDerWaalsContact OG1-CG2 3.27Å; T529-V532 WeakPolarHBondContact OG1-CG2 3.36Å; V532-G536 PolarHBondContact O-N 3.01Å
533	L	98.3	Very high	97	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.7	-42.9	175.8	-77.8	167.6	0	0	0	111.6	H523 R528 T529 G536 C537 I580 A583 E584	H523-L533 VanDerWaalsContact O-CD2 3.3Å; H523-L533 WeakPolarHBondContact O-CD2 3.46Å; R528-L533 HydrophobicContact CB-CD1 3.78Å; R528-L533 HydrophobicContact CB-CD2 4.45Å; R528-L533 HydrophobicContact CB-CG 4.12Å; R528-L533 HydrophobicContact CG-CD2 4.49Å; T529-L533 WeakPolarHBondContact O-CB 3.48Å; T529-L533 WeakPolarHBondContact O-CG 3.25Å; T529-L533 PolarHBondContact O-N 3.07Å; L533-G536 CarbonylContact O-C 3.6Å; L533-G536 WeakPolarHBondContact O-CA 3.47Å; L533-G536 PolarHBondContact O-N 3.17Å; L533-G536 VanDerWaalsContact O-N 3.13Å; L533-C537 PolarHBondContact O-N 2.8Å; L533-C537 PolarHBondContact O-SG 3.09Å; L533-C537 VanDerWaalsContact O-SG 3.37Å; L533-I580 HydrophobicContact CD2-CG1 4.17Å; L533-A583 HydrophobicContact CD1-CB 4.4Å; L533-A583 WeakPolarHBondContact CD1-O 3.42Å; L533-A583 HydrophobicContact CD2-CB 3.81Å; L533-E584 HydrophobicContact CB-CB 4.07Å; L533-E584 HydrophobicContact CB-CG 4.16Å
534	K	98.2	Very high	97	Very high	99 Å²	99	39.5 Å²	39.5	43%	0.43	22%	0.221	S	C	.	.	H	α-helix	trans	-62.5	-45.9	178.7	-179.2	56.3	-179.3	141.4	0	111.7	G530 S531 G536 C537 D538	G530-K534 WeakPolarHBondContact O-CB 3.37Å; G530-K534 PolarHBondContact O-N 3.41Å; S531-K534 PolarHBondContact O-N 2.94Å; K534-G536 VanDerWaalsContact C-N 3.27Å; K534-G536 PolarHBondContact O-N 3.39Å; K534-C537 WeakPolarHBondContact O-CB 3.47Å; K534-C537 PolarHBondContact O-N 3.29Å; K534-D538 IonicContact NZ-OD1 2.81Å; K534-D538 PolarHBondContact NZ-OD1 2.97Å; K534-D538 IonicContact NZ-OD2 3.69Å; K534-D538 PolarHBondContact O-N 2.95Å
535	E	98.3	Very high	97	Very high	90 Å²	90	43.7 Å²	43.7	42%	0.421	24%	0.24	S	C	.	.	H	α-helix	trans	-58.5	-41.6	172.3	-174.1	-170.7	171.6	0	0	111.3	H523 S531 D538 K539	H523-E535 VanDerWaalsContact CE1-CD 3.44Å; H523-E535 IonicContact CE1-OE1 3.69Å; H523-E535 IonicContact CE1-OE2 2.85Å; H523-E535 PolarHBondContact CE1-OE2 3.02Å; S531-E535 PolarHBondContact O-N 3.36Å; E535-D538 PolarHBondContact O-N 2.85Å; E535-K539 HydrophobicContact CG-CD 4.37Å; E535-K539 WeakPolarHBondContact O-CB 3.37Å; E535-K539 WeakPolarHBondContact O-CG 3.38Å; E535-K539 PolarHBondContact O-N 2.79Å; E535-K539 WeakPolarHBondContact OE1-CE 3.29Å; E535-K539 IonicContact OE1-NZ 2.71Å; E535-K539 PolarHBondContact OE1-NZ 3.18Å
536	G	98.3	Very high	97.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-40.9	175.8	0	0	0	0	0	113.5	V532 L533 K534 M540 I580	V532-G536 PolarHBondContact O-N 3.01Å; L533-G536 CarbonylContact O-C 3.6Å; L533-G536 WeakPolarHBondContact O-CA 3.47Å; L533-G536 PolarHBondContact O-N 3.17Å; L533-G536 VanDerWaalsContact O-N 3.13Å; K534-G536 VanDerWaalsContact C-N 3.27Å; K534-G536 PolarHBondContact O-N 3.39Å; G536-M540 WeakPolarHBondContact O-CB 3.36Å; G536-M540 PolarHBondContact O-N 2.99Å; G536-I580 VanDerWaalsContact C-CD1 3.49Å
537	C	98.4	Very high	97.3	Very high	7 Å²	7	43.7 Å²	43.7	5%	0.047	24%	0.238	C	C	.	.	H	α-helix	trans	-61.2	-45.8	174.5	-71.2	0	0	0	0	111.3	L533 K534 M540 A541	L533-C537 PolarHBondContact O-N 2.8Å; L533-C537 PolarHBondContact O-SG 3.09Å; L533-C537 VanDerWaalsContact O-SG 3.37Å; K534-C537 WeakPolarHBondContact O-CB 3.47Å; K534-C537 PolarHBondContact O-N 3.29Å; C537-M540 PolarHBondContact O-N 3.48Å; C537-A541 WeakPolarHBondContact O-CB 3.31Å; C537-A541 PolarHBondContact O-N 2.71Å
538	D	98.1	Very high	97.4	Very high	78 Å²	78	48.8 Å²	48.8	42%	0.417	26%	0.262	S	S	.	.	H	α-helix	trans	-65.8	-46.3	-179.2	-62.5	-21.3	0	0	0	110.4	K534 E535 M540 A541 D542	K534-D538 IonicContact NZ-OD1 2.81Å; K534-D538 PolarHBondContact NZ-OD1 2.97Å; K534-D538 IonicContact NZ-OD2 3.69Å; K534-D538 PolarHBondContact O-N 2.95Å; E535-D538 PolarHBondContact O-N 2.85Å; D538-M540 PolarHBondContact O-N 3.39Å; D538-A541 WeakPolarHBondContact O-CB 3.15Å; D538-A541 PolarHBondContact O-N 3.02Å; D538-D542 PolarHBondContact O-N 3.34Å; D538-D542 VanDerWaalsContact O-N 3.08Å
539	K	98.3	Very high	97.4	Very high	78 Å²	78	54.2 Å²	54.2	34%	0.339	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-42.2	173.2	-75.1	-179.8	-176.4	168.7	0	112.8	T519 H523 E535 A541 D542 V543	T519-K539 HydrophobicContact CG2-CB 3.84Å; H523-K539 PolarHBondContact CE1-NZ 2.91Å; H523-K539 PolarHBondContact NE2-NZ 2.89Å; E535-K539 HydrophobicContact CG-CD 4.37Å; E535-K539 WeakPolarHBondContact O-CB 3.37Å; E535-K539 WeakPolarHBondContact O-CG 3.38Å; E535-K539 PolarHBondContact O-N 2.79Å; E535-K539 WeakPolarHBondContact OE1-CE 3.29Å; E535-K539 IonicContact OE1-NZ 2.71Å; E535-K539 PolarHBondContact OE1-NZ 3.18Å; K539-A541 VanDerWaalsContact C-N 3.29Å; K539-A541 PolarHBondContact O-N 3.01Å; K539-D542 WeakPolarHBondContact O-CB 3.43Å; K539-D542 PolarHBondContact O-N 2.85Å; K539-V543 VanDerWaalsContact O-CG2 3.31Å; K539-V543 WeakPolarHBondContact O-CG2 3.38Å; K539-V543 PolarHBondContact O-N 3.02Å
540	M	98.2	Very high	97.5	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.7	-35	179.8	-170.3	59.7	65.1	0	0	111.3	M516 T519 M520 G536 C537 D538 V543 Y544 M573 A576 V577 I580	M516-M540 HydrophobicContact CB-CE 4.48Å; M516-M540 HydrophobicContact CB-SD 4.4Å; M516-M540 HydrophobicContact CG-CE 3.86Å; M516-M540 HydrophobicContact CG-SD 3.86Å; T519-M540 HydrophobicContact CG2-CB 4.47Å; T519-M540 HydrophobicContact CG2-CE 3.82Å; M520-M540 HydrophobicContact CG-CE 3.63Å; M520-M540 HydrophobicContact SD-CE 3.61Å; G536-M540 WeakPolarHBondContact O-CB 3.36Å; G536-M540 PolarHBondContact O-N 2.99Å; C537-M540 PolarHBondContact O-N 3.48Å; D538-M540 PolarHBondContact O-N 3.39Å; M540-V543 PolarHBondContact O-N 3.05Å; M540-V543 HydrophobicContact SD-CB 4.45Å; M540-Y544 WeakPolarHBondContact O-CB 3.42Å; M540-Y544 PolarHBondContact O-N 3.1Å; M540-M573 HydrophobicContact SD-CE 3.75Å; M540-M573 HydrophobicContact SD-SD 4.34Å; M540-A576 HydrophobicContact CE-CB 4.13Å; M540-A576 HydrophobicContact SD-CB 4.07Å; M540-V577 HydrophobicContact CG-CG1 3.71Å; M540-I580 HydrophobicContact CB-CG2 4.25Å; M540-I580 HydrophobicContact CG-CG2 4.36Å
541	A	97.5	Very high	97.6	Very high	49 Å²	49	55.3 Å²	55.3	41%	0.405	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-44.1	171.5	0	0	0	0	0	111.1	C537 D538 K539 V543 Y544 Q545	C537-A541 WeakPolarHBondContact O-CB 3.31Å; C537-A541 PolarHBondContact O-N 2.71Å; D538-A541 WeakPolarHBondContact O-CB 3.15Å; D538-A541 PolarHBondContact O-N 3.02Å; K539-A541 VanDerWaalsContact C-N 3.29Å; K539-A541 PolarHBondContact O-N 3.01Å; A541-V543 PolarHBondContact O-N 3.02Å; A541-Y544 WeakPolarHBondContact O-CB 3.32Å; A541-Y544 PolarHBondContact O-N 2.81Å; A541-Q545 WeakPolarHBondContact O-CG 3.41Å; A541-Q545 PolarHBondContact O-N 2.6Å
542	D	97.6	Very high	97.7	Very high	116 Å²	116	50.9 Å²	50.9	62%	0.62	25%	0.253	S	S	*	.	H	α-helix	trans	-62.1	-42.5	175.1	-68.1	-24.5	0	0	0	112.2	D538 K539 Y544 Q545 S546	D538-D542 PolarHBondContact O-N 3.34Å; D538-D542 VanDerWaalsContact O-N 3.08Å; K539-D542 WeakPolarHBondContact O-CB 3.43Å; K539-D542 PolarHBondContact O-N 2.85Å; D542-Y544 VanDerWaalsContact C-N 3.31Å; D542-Y544 PolarHBondContact O-N 3.48Å; D542-Q545 PolarHBondContact O-N 3.1Å; D542-S546 PolarHBondContact O-N 3.27Å
543	V	97.8	Very high	97.8	Very high	14 Å²	14	53.6 Å²	53.6	9%	0.085	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-39.5	175.2	178.5	0	0	0	0	110.6	I512 N515 M516 K539 M540 A541 S546 M573	I512-V543 HydrophobicContact CG2-CG1 3.96Å; N515-V543 HydrophobicContact CB-CG1 4.35Å; N515-V543 HydrophobicContact CB-CG2 4.04Å; M516-V543 HydrophobicContact CB-CG1 4.11Å; K539-V543 VanDerWaalsContact O-CG2 3.31Å; K539-V543 WeakPolarHBondContact O-CG2 3.38Å; K539-V543 PolarHBondContact O-N 3.02Å; M540-V543 PolarHBondContact O-N 3.05Å; M540-V543 HydrophobicContact SD-CB 4.45Å; A541-V543 PolarHBondContact O-N 3.02Å; V543-S546 WeakPolarHBondContact O-CB 3.38Å; V543-S546 PolarHBondContact O-N 3.31Å; V543-S546 PolarHBondContact O-OG 3.43Å; V543-M573 HydrophobicContact CB-CE 4.04Å; V543-M573 HydrophobicContact CG1-CE 3.62Å; V543-M573 HydrophobicContact CG1-SD 3.99Å
544	Y	97.8	Very high	97.8	Very high	28 Å²	28	56.8 Å²	56.8	11%	0.11	28%	0.278	C	S	.	.	H	α-helix	trans	-60.4	-46.9	174.9	-163.6	-81.6	0	0	0	111.8	M540 A541 D542 S546 M547 M573 L574 V577 P633 G636	M540-Y544 WeakPolarHBondContact O-CB 3.42Å; M540-Y544 PolarHBondContact O-N 3.1Å; A541-Y544 WeakPolarHBondContact O-CB 3.32Å; A541-Y544 PolarHBondContact O-N 2.81Å; D542-Y544 VanDerWaalsContact C-N 3.31Å; D542-Y544 PolarHBondContact O-N 3.48Å; Y544-S546 PolarHBondContact O-N 3.1Å; Y544-M547 VanDerWaalsContact O-CB 3.24Å; Y544-M547 WeakPolarHBondContact O-CB 3.33Å; Y544-M547 WeakPolarHBondContact O-CG 3.41Å; Y544-M547 PolarHBondContact O-N 3.14Å; Y544-M547 VanDerWaalsContact O-N 3.15Å; Y544-M573 VanDerWaalsContact CA-CE 3.46Å; Y544-M573 HydrophobicContact CD2-CB 3.95Å; Y544-M573 HydrophobicContact CD2-CE 4Å; Y544-M573 HydrophobicContact CE2-CB 4.07Å; Y544-M573 HydrophobicContact CG-CE 4.36Å; Y544-L574 HydrophobicContact CE2-CD2 4.07Å; Y544-L574 WeakPolarHBondContact OH-CD2 3.29Å; Y544-V577 HydrophobicContact CD2-CG1 3.81Å; Y544-V577 HydrophobicContact CG-CG1 4.47Å; Y544-P633 PolarHBondContact OH-O 2.75Å; Y544-G636 VanDerWaalsContact CE1-N 3.34Å
545	Q	96.9	Very high	97.7	Very high	87 Å²	87	55.8 Å²	55.8	41%	0.407	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-28.9	176.6	-64	-57.1	-28.3	0	0	112.6	A541 D542 M547 E548 T635	A541-Q545 WeakPolarHBondContact O-CG 3.41Å; A541-Q545 PolarHBondContact O-N 2.6Å; D542-Q545 PolarHBondContact O-N 3.1Å; Q545-M547 PolarHBondContact O-N 2.7Å; Q545-E548 PolarHBondContact O-N 3.34Å; Q545-T635 PolarHBondContact NE2-O 3.16Å
546	S	97.1	Very high	97.7	Very high	17 Å²	17	53 Å²	53	12%	0.119	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-17.2	176.9	83.5	0	0	0	0	114	D542 V543 Y544 E548 K549	D542-S546 PolarHBondContact O-N 3.27Å; V543-S546 WeakPolarHBondContact O-CB 3.38Å; V543-S546 PolarHBondContact O-N 3.31Å; V543-S546 PolarHBondContact O-OG 3.43Å; Y544-S546 PolarHBondContact O-N 3.1Å; S546-E548 PolarHBondContact O-N 3.43Å; S546-K549 WeakPolarHBondContact O-CB 3.23Å; S546-K549 PolarHBondContact O-N 3.28Å
547	M	96.4	Very high	97.6	Very high	24 Å²	24	54.4 Å²	54.4	12%	0.118	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-59.7	-25.5	175.7	-70.1	-67.5	-69.3	0	0	113.3	I512 Y544 Q545 K549 I550 L569 Q570 M573	I512-M547 HydrophobicContact CD1-SD 4.31Å; I512-M547 HydrophobicContact CG2-CG 4.5Å; I512-M547 HydrophobicContact CG2-SD 3.73Å; Y544-M547 VanDerWaalsContact O-CB 3.24Å; Y544-M547 WeakPolarHBondContact O-CB 3.33Å; Y544-M547 WeakPolarHBondContact O-CG 3.41Å; Y544-M547 PolarHBondContact O-N 3.14Å; Y544-M547 VanDerWaalsContact O-N 3.15Å; Q545-M547 PolarHBondContact O-N 2.7Å; M547-K549 PolarHBondContact O-N 3.47Å; M547-I550 HydrophobicContact CE-CD1 4.22Å; M547-I550 WeakPolarHBondContact O-CB 3.35Å; M547-I550 VanDerWaalsContact O-CG2 3.3Å; M547-I550 WeakPolarHBondContact O-CG2 3.38Å; M547-I550 PolarHBondContact O-N 3.41Å; M547-L569 HydrophobicContact CE-CB 4.46Å; M547-L569 HydrophobicContact CE-CD2 3.98Å; M547-L569 HydrophobicContact CE-CG 3.86Å; M547-L569 HydrophobicContact SD-CD2 3.56Å; M547-L569 VanDerWaalsContact SD-CD2 3.56Å; M547-L569 HydrophobicContact SD-CG 3.73Å; M547-Q570 HydrophobicContact CE-CB 4.36Å; M547-Q570 HydrophobicContact CE-CG 3.48Å; M547-Q570 VanDerWaalsContact CE-CG 3.48Å; M547-M573 HydrophobicContact CG-CG 4.31Å; M547-M573 HydrophobicContact SD-CG 4.17Å
548	E	95.6	Very high	97.6	Very high	150 Å²	150	57.8 Å²	57.8	70%	0.701	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-66.1	-22.5	174.5	-63.5	-167	154.2	0	0	112.9	Q545 S546	Q545-E548 PolarHBondContact O-N 3.34Å; S546-E548 PolarHBondContact O-N 3.43Å
549	K	97.2	Very high	97.5	Very high	117 Å²	117	59.5 Å²	59.5	51%	0.509	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-96.7	11.7	-178	-58.4	177.3	-175.8	170.4	0	112.8	G505 N506 L507 S546 M547	G505-K549 CarbonylContact C-O 3.06Å; G505-K549 WeakPolarHBondContact CA-O 3.44Å; N506-K549 PolarHBondContact N-O 2.93Å; N506-K549 WeakPolarHBondContact OD1-CB 3.26Å; L507-K549 HydrophobicContact CD1-CB 4.26Å; L507-K549 HydrophobicContact CG-CB 4.45Å; L507-K549 PolarHBondContact N-O 3.1Å; S546-K549 WeakPolarHBondContact O-CB 3.23Å; S546-K549 PolarHBondContact O-N 3.28Å; M547-K549 PolarHBondContact O-N 3.47Å
550	I	98.1	Very high	97.6	Very high	5 Å²	5	56 Å²	56	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	142.8	-177	-161.4	168.9	0	0	0	111.4	L500 A503 G505 L507 I512 M547 L569	L500-I550 HydrophobicContact CD2-CD1 4.38Å; L500-I550 HydrophobicContact CD2-CG2 4.01Å; A503-I550 HydrophobicContact CB-CG2 3.74Å; A503-I550 WeakPolarHBondContact CB-O 3.35Å; G505-I550 WeakPolarHBondContact CA-O 3.31Å; G505-I550 PolarHBondContact N-O 3.46Å; L507-I550 CarbonylContact O-C 3.5Å; L507-I550 WeakPolarHBondContact O-CA 3.12Å; I512-I550 HydrophobicContact CD1-CB 4.19Å; I512-I550 HydrophobicContact CD1-CG1 4.2Å; M547-I550 HydrophobicContact CE-CD1 4.22Å; M547-I550 WeakPolarHBondContact O-CB 3.35Å; M547-I550 VanDerWaalsContact O-CG2 3.3Å; M547-I550 WeakPolarHBondContact O-CG2 3.38Å; M547-I550 PolarHBondContact O-N 3.41Å; I550-L569 HydrophobicContact CD1-CD2 4.26Å
551	K	98.4	Very high	97.6	Very high	62 Å²	62	59.2 Å²	59.2	27%	0.27	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119.9	176.8	-173.5	179.7	-168.8	154.9	0	108.8	G505 L507 F553	G505-K551 WeakPolarHBondContact O-CD 3.48Å; L507-K551 WeakPolarHBondContact O-CB 3.5Å; L507-K551 PolarHBondContact O-N 2.86Å; K551-F553 HydrophobicContact CD-CE1 4.19Å; K551-F553 HydrophobicContact CD-CZ 3.92Å; K551-F553 HydrophobicContact CG-CE2 4.47Å; K551-F553 HydrophobicContact CG-CZ 4.3Å
552	T	98.5	Very high	97.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.289	C	S	.	.			trans	-104.8	161.7	167	50.9	0	0	0	0	108.9	L500 R501 A503 R555 S566	L500-T552 WeakPolarHBondContact O-CG2 3.4Å; L500-T552 PolarHBondContact O-OG1 2.78Å; R501-T552 PolarHBondContact O-OG1 3.31Å; A503-T552 PolarHBondContact O-N 3.28Å; A503-T552 VanDerWaalsContact O-N 3.1Å; A503-T552 PolarHBondContact O-OG1 2.87Å; T552-R555 PolarHBondContact O-NH1 3.42Å; T552-R555 PolarHBondContact O-NH2 3.39Å; T552-R555 PolarHBondContact OG1-NH1 3.39Å; T552-S566 WeakPolarHBondContact CG2-OG 3.35Å
553	F	98.3	Very high	97.7	Very high	105 Å²	105	53.1 Å²	53.1	46%	0.461	26%	0.26	S	S	.	.			trans	-119.3	-43	-176.8	-62.8	-92.4	0	0	0	111.6	R508 K551 R555 D562	R508-F553 HydrophobicContact CG-CE2 3.79Å; R508-F553 HydrophobicContact CG-CZ 4.02Å; K551-F553 HydrophobicContact CD-CE1 4.19Å; K551-F553 HydrophobicContact CD-CZ 3.92Å; K551-F553 HydrophobicContact CG-CE2 4.47Å; K551-F553 HydrophobicContact CG-CZ 4.3Å; F553-R555 PolarHBondContact O-N 3.11Å; F553-D562 PolarHBondContact N-OD2 3.03Å
554	D	98.2	Very high	97.7	Very high	67 Å²	67	53 Å²	53	36%	0.358	26%	0.259	S	S	.	.			trans	-73.3	119.9	178.8	-170.7	-6.2	0	0	0	110.1	G556 N560 D562	D554-G556 WeakPolarHBondContact OD1-CA 3.3Å; D554-G556 PolarHBondContact OD1-N 2.8Å; D554-N560 WeakPolarHBondContact CB-OD1 3.27Å; D554-N560 PolarHBondContact O-ND2 2.9Å; D554-D562 HydrophobicContact CB-CB 4Å; D554-D562 PolarHBondContact N-OD2 3Å; D554-D562 VanDerWaalsContact N-OD2 3.12Å
555	R	97.7	Very high	97.8	Very high	78 Å²	78	55.1 Å²	55.1	29%	0.294	27%	0.27	S	S	.	.			trans	-101.7	-0.7	179.3	-50.9	-51	-174.6	-167.9	-2.8	112.4	R501 F502 A503 T552 F553	R501-R555 VanDerWaalsContact CZ-O 3.27Å; R501-R555 PolarHBondContact NE-O 2.82Å; R501-R555 PolarHBondContact NH2-O 2.74Å; R501-R555 VanDerWaalsContact O-CD 3.31Å; R501-R555 WeakPolarHBondContact O-CD 3.49Å; R501-R555 PolarHBondContact O-NH1 2.86Å; F502-R555 VanDerWaalsContact C-NH1 3.29Å; F502-R555 HydrophobicContact CD1-CG 4.5Å; F502-R555 HydrophobicContact CE1-CB 4.06Å; F502-R555 HydrophobicContact CE1-CG 4.48Å; A503-R555 PolarHBondContact O-NH1 3.43Å; A503-R555 PolarHBondContact O-NH2 3.41Å; T552-R555 PolarHBondContact O-NH1 3.42Å; T552-R555 PolarHBondContact O-NH2 3.39Å; T552-R555 PolarHBondContact OG1-NH1 3.39Å; F553-R555 PolarHBondContact O-N 3.11Å
556	G	97.4	Very high	97.8	Very high	30 Å²	30	51 Å²	51	31%	0.309	25%	0.251	S	S	.	.			trans	-63.6	176.5	169.6	0	0	0	0	0	111.9	R501 D554 N560	R501-G556 PolarHBondContact NE-O 3.34Å; D554-G556 WeakPolarHBondContact OD1-CA 3.3Å; D554-G556 PolarHBondContact OD1-N 2.8Å; G556-N560 PolarHBondContact O-ND2 3.21Å
557	I	95.8	Very high	97.9	Very high	31 Å²	31	50.4 Å²	50.4	16%	0.159	25%	0.246	C	C	.	.			trans	-125.4	-39.4	173.9	-168	65.3	0	0	0	111.5	Y54 L236 L497 W559 L563	Y54-I557 HydrophobicContact CE1-CD1 4.02Å; Y54-I557 HydrophobicContact CE1-CG1 4.41Å; L236-I557 HydrophobicContact CD1-CD1 4.2Å; L236-I557 HydrophobicContact CD1-CG1 4.43Å; L497-I557 HydrophobicContact CD2-CD1 4.03Å; I557-W559 PolarHBondContact O-N 2.74Å; I557-L563 HydrophobicContact CD1-CD2 3.99Å
558	V	97.9	Very high	98	Very high	77 Å²	77	50.2 Å²	50.2	47%	0.467	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	122.3	172	173.3	0	0	0	0	109.6	E239 N560	E239-V558 WeakPolarHBondContact O-CG1 3.45Å; V558-N560 PolarHBondContact O-N 3.03Å
559	W	97.8	Very high	98.2	Very high	115 Å²	115	43.1 Å²	43.1	44%	0.436	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	30.2	177.2	-82.3	98.1	0	0	0	114.5	E217 M238 I557 T561	E217-W559 VanDerWaalsContact CD-CH2 3.47Å; E217-W559 HydrophobicContact CG-CH2 4.2Å; E217-W559 HydrophobicContact CG-CZ2 4.42Å; E217-W559 WeakPolarHBondContact OE1-CH2 3.44Å; E217-W559 WeakPolarHBondContact OE2-CZ2 3.31Å; M238-W559 HydrophobicContact CE-CE3 3.98Å; M238-W559 HydrophobicContact CE-CH2 4.38Å; M238-W559 HydrophobicContact CE-CZ3 3.78Å; M238-W559 PolarHBondContact O-N 3.05Å; I557-W559 PolarHBondContact O-N 2.74Å; W559-T561 VanDerWaalsContact C-N 3.33Å; W559-T561 HydrophobicContact CE3-CG2 4.46Å; W559-T561 PolarHBondContact O-N 2.85Å
560	N	98.5	Very high	98.3	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	20%	0.196	C	C	.	.			trans	-74.4	85.8	176.6	-174.4	-19.5	0	0	0	110	D554 G556 V558 D562 L563 V564	D554-N560 WeakPolarHBondContact CB-OD1 3.27Å; D554-N560 PolarHBondContact O-ND2 2.9Å; G556-N560 PolarHBondContact O-ND2 3.21Å; V558-N560 PolarHBondContact O-N 3.03Å; N560-D562 VanDerWaalsContact C-N 3.29Å; N560-D562 PolarHBondContact O-N 2.82Å; N560-D562 WeakPolarHBondContact OD1-CB 3.43Å; N560-D562 PolarHBondContact OD1-N 3.24Å; N560-L563 HydrophobicContact CB-CB 4.12Å; N560-L563 PolarHBondContact O-N 3.26Å; N560-L563 WeakPolarHBondContact OD1-CB 3.47Å; N560-L563 PolarHBondContact OD1-N 2.85Å; N560-V564 WeakPolarHBondContact O-CG2 3.35Å; N560-V564 PolarHBondContact O-N 3.2Å; N560-V564 VanDerWaalsContact O-N 3.12Å
561	T	98.3	Very high	98.3	Very high	68 Å²	68	39.1 Å²	39.1	42%	0.417	20%	0.195	S	C	.	.	H	α-helix	trans	-71	-24	179.7	56.9	0	0	0	0	112.7	W559 L563 V564 E565	W559-T561 VanDerWaalsContact C-N 3.33Å; W559-T561 HydrophobicContact CE3-CG2 4.46Å; W559-T561 PolarHBondContact O-N 2.85Å; T561-L563 VanDerWaalsContact C-N 3.33Å; T561-V564 PolarHBondContact O-N 2.71Å; T561-E565 VanDerWaalsContact O-CB 3.29Å; T561-E565 WeakPolarHBondContact O-CB 3.15Å; T561-E565 WeakPolarHBondContact O-CG 3.42Å; T561-E565 PolarHBondContact O-N 2.88Å
562	D	98.6	Very high	98.3	Very high	37 Å²	37	36.3 Å²	36.3	20%	0.198	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-43.3	172.6	-174.2	18.6	0	0	0	110.7	F553 D554 N560 S566	F553-D562 PolarHBondContact N-OD2 3.03Å; D554-D562 HydrophobicContact CB-CB 4Å; D554-D562 PolarHBondContact N-OD2 3Å; D554-D562 VanDerWaalsContact N-OD2 3.12Å; N560-D562 VanDerWaalsContact C-N 3.29Å; N560-D562 PolarHBondContact O-N 2.82Å; N560-D562 WeakPolarHBondContact OD1-CB 3.43Å; N560-D562 PolarHBondContact OD1-N 3.24Å; D562-S566 WeakPolarHBondContact O-CB 3.27Å; D562-S566 PolarHBondContact O-N 3.01Å; D562-S566 VanDerWaalsContact O-N 3.11Å; D562-S566 PolarHBondContact O-OG 2.81Å
563	L	98.6	Very high	98.3	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-65	-49.8	172.2	172.8	59.9	0	0	0	112	L497 L500 R501 I557 N560 T561 E565 S566 L567	L497-L563 HydrophobicContact CD2-CD2 3.89Å; L497-L563 HydrophobicContact CG-CD1 4.44Å; L497-L563 HydrophobicContact CG-CD2 4.05Å; L500-L563 HydrophobicContact CB-CD1 3.66Å; R501-L563 HydrophobicContact CB-CD1 4.15Å; R501-L563 HydrophobicContact CB-CD2 4.12Å; R501-L563 HydrophobicContact CG-CD2 4.36Å; I557-L563 HydrophobicContact CD1-CD2 3.99Å; N560-L563 HydrophobicContact CB-CB 4.12Å; N560-L563 PolarHBondContact O-N 3.26Å; N560-L563 WeakPolarHBondContact OD1-CB 3.47Å; N560-L563 PolarHBondContact OD1-N 2.85Å; T561-L563 VanDerWaalsContact C-N 3.33Å; L563-E565 PolarHBondContact O-N 3.22Å; L563-S566 WeakPolarHBondContact O-CA 3.46Å; L563-S566 WeakPolarHBondContact O-CB 3.41Å; L563-S566 PolarHBondContact O-N 3.26Å; L563-S566 VanDerWaalsContact O-N 3.09Å; L563-L567 HydrophobicContact CD1-CD1 4.32Å; L563-L567 HydrophobicContact CD1-CG 4.39Å; L563-L567 HydrophobicContact CG-CD1 4.29Å; L563-L567 PolarHBondContact O-N 3.06Å
564	V	98.8	Very high	98.4	Very high	11 Å²	11	31.6 Å²	31.6	7%	0.067	16%	0.163	C	C	.	.	H	α-helix	trans	-60.5	-46.1	-178.8	174	0	0	0	0	111.2	F219 L236 M238 N560 T561 S566 L567 E568	F219-V564 HydrophobicContact CD2-CG1 3.67Å; F219-V564 HydrophobicContact CE2-CG1 3.86Å; F219-V564 HydrophobicContact CG-CG1 4.36Å; L236-V564 HydrophobicContact CD2-CG2 4.4Å; M238-V564 HydrophobicContact CE-CG2 4.34Å; M238-V564 HydrophobicContact CG-CG2 4.38Å; M238-V564 HydrophobicContact SD-CG2 4.4Å; N560-V564 WeakPolarHBondContact O-CG2 3.35Å; N560-V564 PolarHBondContact O-N 3.2Å; N560-V564 VanDerWaalsContact O-N 3.12Å; T561-V564 PolarHBondContact O-N 2.71Å; V564-S566 PolarHBondContact O-N 3.29Å; V564-L567 WeakPolarHBondContact O-CB 3.37Å; V564-L567 PolarHBondContact O-N 3.45Å; V564-L567 VanDerWaalsContact O-N 3.16Å; V564-E568 WeakPolarHBondContact O-CG 3.44Å; V564-E568 PolarHBondContact O-N 3.11Å
565	E	98.8	Very high	98.4	Very high	72 Å²	72	28.4 Å²	28.4	34%	0.336	15%	0.145	S	C	.	.	H	α-helix	trans	-64.9	-27.2	176.3	-75.8	-173	-146.4	0	0	112.8	R513 T561 L563 L569	R513-E565 IonicContact CZ-OE2 3.07Å; R513-E565 VanDerWaalsContact CZ-OE2 3.28Å; R513-E565 IonicContact NH1-OE2 3.65Å; R513-E565 PolarHBondContact NH1-OE2 3.14Å; R513-E565 IonicContact NH2-OE2 2.91Å; R513-E565 PolarHBondContact NH2-OE2 3.41Å; T561-E565 VanDerWaalsContact O-CB 3.29Å; T561-E565 WeakPolarHBondContact O-CB 3.15Å; T561-E565 WeakPolarHBondContact O-CG 3.42Å; T561-E565 PolarHBondContact O-N 2.88Å; L563-E565 PolarHBondContact O-N 3.22Å; E565-L569 WeakPolarHBondContact O-CB 3.44Å; E565-L569 PolarHBondContact O-N 3.47Å
566	S	98.8	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-73.5	-36.7	174.1	-60	0	0	0	0	112.2	T509 T552 D562 L563 V564 L569 Q570	T509-S566 WeakPolarHBondContact CG2-OG 3.48Å; T509-S566 PolarHBondContact OG1-OG 3.27Å; T552-S566 WeakPolarHBondContact CG2-OG 3.35Å; D562-S566 WeakPolarHBondContact O-CB 3.27Å; D562-S566 PolarHBondContact O-N 3.01Å; D562-S566 VanDerWaalsContact O-N 3.11Å; D562-S566 PolarHBondContact O-OG 2.81Å; L563-S566 WeakPolarHBondContact O-CA 3.46Å; L563-S566 WeakPolarHBondContact O-CB 3.41Å; L563-S566 PolarHBondContact O-N 3.26Å; L563-S566 VanDerWaalsContact O-N 3.09Å; V564-S566 PolarHBondContact O-N 3.29Å; S566-L569 PolarHBondContact O-N 2.86Å; S566-Q570 PolarHBondContact O-N 3.45Å
567	L	98.8	Very high	98.5	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-65.5	-43.8	169.8	-69.8	163.7	0	0	0	110.8	F219 L221 L500 L563 V564 L569 Q570 N571	F219-L567 HydrophobicContact CD1-CD1 4.3Å; F219-L567 HydrophobicContact CE1-CB 3.87Å; F219-L567 HydrophobicContact CE1-CD1 4.16Å; F219-L567 HydrophobicContact CZ-CB 4.04Å; L221-L567 HydrophobicContact CD2-CD1 3.8Å; L221-L567 HydrophobicContact CD2-CD2 4.28Å; L500-L567 HydrophobicContact CD1-CD2 3.53Å; L500-L567 HydrophobicContact CD1-CG 3.87Å; L563-L567 HydrophobicContact CD1-CD1 4.32Å; L563-L567 HydrophobicContact CD1-CG 4.39Å; L563-L567 HydrophobicContact CG-CD1 4.29Å; L563-L567 PolarHBondContact O-N 3.06Å; V564-L567 WeakPolarHBondContact O-CB 3.37Å; V564-L567 PolarHBondContact O-N 3.45Å; V564-L567 VanDerWaalsContact O-N 3.16Å; L567-L569 VanDerWaalsContact C-N 3.28Å; L567-L569 PolarHBondContact O-N 3.08Å; L567-Q570 WeakPolarHBondContact O-CB 3.48Å; L567-Q570 PolarHBondContact O-N 3.33Å; L567-Q570 VanDerWaalsContact O-N 3.16Å; L567-N571 PolarHBondContact O-N 3.02Å; L567-N571 VanDerWaalsContact O-N 3.14Å
568	E	98.9	Very high	98.6	Very high	21 Å²	21	22 Å²	22	10%	0.098	11%	0.11	C	C	.	.	H	α-helix	trans	-60.6	-36.9	174.1	-72	179.9	152.6	0	0	112.1	K91 F219 T272 V564 N571 L572	K91-E568 IonicContact NZ-OE1 3.62Å; K91-E568 PolarHBondContact NZ-OE1 2.83Å; F219-E568 HydrophobicContact CE2-CG 3.67Å; F219-E568 HydrophobicContact CZ-CG 3.92Å; T272-E568 HydrophobicContact CG2-CB 3.9Å; T272-E568 HydrophobicContact CG2-CG 4.06Å; V564-E568 WeakPolarHBondContact O-CG 3.44Å; V564-E568 PolarHBondContact O-N 3.11Å; E568-N571 WeakPolarHBondContact O-CB 3.42Å; E568-N571 PolarHBondContact O-N 3.35Å; E568-N571 VanDerWaalsContact O-N 3.17Å; E568-L572 WeakPolarHBondContact O-CB 3.28Å; E568-L572 WeakPolarHBondContact O-CG 3.48Å; E568-L572 PolarHBondContact O-N 2.99Å
569	L	98.8	Very high	98.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.8	-42.8	174.1	176.8	60.5	0	0	0	111.7	T509 I512 R513 M547 I550 E565 S566 L567 N571 L572 M573	T509-L569 HydrophobicContact CG2-CB 4.19Å; T509-L569 HydrophobicContact CG2-CD2 3.81Å; I512-L569 HydrophobicContact CB-CD2 3.91Å; I512-L569 HydrophobicContact CG2-CD2 3.97Å; R513-L569 HydrophobicContact CB-CD1 3.87Å; R513-L569 HydrophobicContact CG-CD1 4.35Å; M547-L569 HydrophobicContact CE-CB 4.46Å; M547-L569 HydrophobicContact CE-CD2 3.98Å; M547-L569 HydrophobicContact CE-CG 3.86Å; M547-L569 HydrophobicContact SD-CD2 3.56Å; M547-L569 VanDerWaalsContact SD-CD2 3.56Å; M547-L569 HydrophobicContact SD-CG 3.73Å; I550-L569 HydrophobicContact CD1-CD2 4.26Å; E565-L569 WeakPolarHBondContact O-CB 3.44Å; E565-L569 PolarHBondContact O-N 3.47Å; S566-L569 PolarHBondContact O-N 2.86Å; L567-L569 VanDerWaalsContact C-N 3.28Å; L567-L569 PolarHBondContact O-N 3.08Å; L569-N571 PolarHBondContact O-N 3.35Å; L569-L572 PolarHBondContact O-N 3.18Å; L569-M573 HydrophobicContact CD1-CG 4.1Å; L569-M573 HydrophobicContact CD1-SD 4.4Å; L569-M573 HydrophobicContact CG-CG 4.42Å; L569-M573 WeakPolarHBondContact O-CB 3.33Å; L569-M573 VanDerWaalsContact O-CG 3.27Å; L569-M573 WeakPolarHBondContact O-CG 3.47Å; L569-M573 PolarHBondContact O-N 3.41Å
570	Q	98.8	Very high	98.7	Very high	36 Å²	36	12.8 Å²	12.8	17%	0.168	7%	0.067	C	C	.	.	H	α-helix	trans	-58.4	-40.6	173.7	-68.3	-180	-33	0	0	111.5	N496 L500 M547 S566 L567 M573 L574	N496-Q570 PolarHBondContact ND2-OE1 2.96Å; N496-Q570 PolarHBondContact OD1-NE2 2.85Å; N496-Q570 PolarHBondContact OD1-OE1 3.28Å; L500-Q570 HydrophobicContact CD1-CG 4.4Å; M547-Q570 HydrophobicContact CE-CB 4.36Å; M547-Q570 HydrophobicContact CE-CG 3.48Å; M547-Q570 VanDerWaalsContact CE-CG 3.48Å; S566-Q570 PolarHBondContact O-N 3.45Å; L567-Q570 WeakPolarHBondContact O-CB 3.48Å; L567-Q570 PolarHBondContact O-N 3.33Å; L567-Q570 VanDerWaalsContact O-N 3.16Å; Q570-M573 PolarHBondContact O-N 2.87Å; Q570-L574 PolarHBondContact O-N 2.8Å
571	N	98.9	Very high	98.7	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.011	8%	0.078	C	C	.	.	H	α-helix	trans	-65	-47.5	177.5	-61.8	-24.9	0	0	0	111.6	D274 A277 R281 L567 E568 L569 M573 L574 N575	D274-N571 PolarHBondContact OD1-ND2 2.99Å; A277-N571 VanDerWaalsContact CB-CA 3.49Å; A277-N571 HydrophobicContact CB-CB 3.53Å; A277-N571 VanDerWaalsContact CB-OD1 3.3Å; A277-N571 WeakPolarHBondContact CB-OD1 3.38Å; R281-N571 PolarHBondContact NH1-OD1 3.26Å; R281-N571 PolarHBondContact NH2-OD1 3.49Å; R281-N571 VanDerWaalsContact NH2-OD1 3.1Å; L567-N571 PolarHBondContact O-N 3.02Å; L567-N571 VanDerWaalsContact O-N 3.14Å; E568-N571 WeakPolarHBondContact O-CB 3.42Å; E568-N571 PolarHBondContact O-N 3.35Å; E568-N571 VanDerWaalsContact O-N 3.17Å; L569-N571 PolarHBondContact O-N 3.35Å; N571-M573 VanDerWaalsContact C-N 3.31Å; N571-M573 PolarHBondContact O-N 2.74Å; N571-L574 PolarHBondContact O-N 3.43Å; N571-N575 PolarHBondContact O-N 3.01Å; N571-N575 PolarHBondContact O-ND2 3.44Å
572	L	98.9	Very high	98.7	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.021	6%	0.059	C	C	.	.	H	α-helix	trans	-58.2	-42.6	176.5	-76	169.4	0	0	0	111.9	R260 T261 T272 M516 E568 L569 L574 N575 A576	R260-L572 HydrophobicContact CB-CD1 4.4Å; R260-L572 HydrophobicContact CB-CD2 3.97Å; T261-L572 HydrophobicContact CG2-CB 4.25Å; T261-L572 HydrophobicContact CG2-CD2 3.58Å; T261-L572 WeakPolarHBondContact CG2-O 3.27Å; T272-L572 HydrophobicContact CG2-CD1 4.13Å; T272-L572 HydrophobicContact CG2-CD2 4.47Å; T272-L572 HydrophobicContact CG2-CG 4.28Å; M516-L572 HydrophobicContact CE-CB 3.88Å; M516-L572 HydrophobicContact CE-CD1 4.09Å; M516-L572 HydrophobicContact CE-CG 4.44Å; M516-L572 HydrophobicContact SD-CB 3.76Å; E568-L572 WeakPolarHBondContact O-CB 3.28Å; E568-L572 WeakPolarHBondContact O-CG 3.48Å; E568-L572 PolarHBondContact O-N 2.99Å; L569-L572 PolarHBondContact O-N 3.18Å; L572-L574 PolarHBondContact O-N 3.42Å; L572-N575 PolarHBondContact O-N 3.01Å; L572-A576 WeakPolarHBondContact O-CB 3.49Å; L572-A576 PolarHBondContact O-N 3.2Å
573	M	98.5	Very high	98.8	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-61.5	-43.4	179.9	-73.9	-53.9	-65.3	0	0	112.3	M516 M540 V543 Y544 M547 L569 Q570 N571 N575 A576 V577	M516-M573 HydrophobicContact CB-SD 3.72Å; M516-M573 HydrophobicContact CG-SD 3.58Å; M516-M573 VanDerWaalsContact CG-SD 3.58Å; M516-M573 HydrophobicContact SD-CG 4.4Å; M516-M573 HydrophobicContact SD-SD 3.52Å; M540-M573 HydrophobicContact SD-CE 3.75Å; M540-M573 HydrophobicContact SD-SD 4.34Å; V543-M573 HydrophobicContact CB-CE 4.04Å; V543-M573 HydrophobicContact CG1-CE 3.62Å; V543-M573 HydrophobicContact CG1-SD 3.99Å; Y544-M573 VanDerWaalsContact CA-CE 3.46Å; Y544-M573 HydrophobicContact CD2-CB 3.95Å; Y544-M573 HydrophobicContact CD2-CE 4Å; Y544-M573 HydrophobicContact CE2-CB 4.07Å; Y544-M573 HydrophobicContact CG-CE 4.36Å; M547-M573 HydrophobicContact CG-CG 4.31Å; M547-M573 HydrophobicContact SD-CG 4.17Å; L569-M573 HydrophobicContact CD1-CG 4.1Å; L569-M573 HydrophobicContact CD1-SD 4.4Å; L569-M573 HydrophobicContact CG-CG 4.42Å; L569-M573 WeakPolarHBondContact O-CB 3.33Å; L569-M573 VanDerWaalsContact O-CG 3.27Å; L569-M573 WeakPolarHBondContact O-CG 3.47Å; L569-M573 PolarHBondContact O-N 3.41Å; Q570-M573 PolarHBondContact O-N 2.87Å; N571-M573 VanDerWaalsContact C-N 3.31Å; N571-M573 PolarHBondContact O-N 2.74Å; M573-N575 PolarHBondContact O-N 2.82Å; M573-A576 PolarHBondContact O-N 3.1Å; M573-V577 WeakPolarHBondContact O-CG1 3.4Å; M573-V577 WeakPolarHBondContact O-CG2 3.45Å; M573-V577 PolarHBondContact O-N 3.45Å
574	L	98.8	Very high	98.7	Very high	4 Å²	4	12 Å²	12	2%	0.021	6%	0.059	C	C	.	.	H	α-helix	trans	-60.9	-44.7	176	-69.6	174.5	0	0	0	111.6	A277 T280 R281 Y544 Q570 N571 L572 V577 Q578 V631	A277-L574 HydrophobicContact CB-CB 4.48Å; A277-L574 HydrophobicContact CB-CD1 4.02Å; T280-L574 HydrophobicContact CG2-CB 4.49Å; T280-L574 HydrophobicContact CG2-CD1 4.26Å; T280-L574 HydrophobicContact CG2-CD2 4.13Å; R281-L574 HydrophobicContact CG-CD1 3.92Å; Y544-L574 HydrophobicContact CE2-CD2 4.07Å; Y544-L574 WeakPolarHBondContact OH-CD2 3.29Å; Q570-L574 PolarHBondContact O-N 2.8Å; N571-L574 PolarHBondContact O-N 3.43Å; L572-L574 PolarHBondContact O-N 3.42Å; L574-V577 VanDerWaalsContact O-CG2 3.24Å; L574-V577 WeakPolarHBondContact O-CG2 3.48Å; L574-Q578 VanDerWaalsContact O-CG 3.27Å; L574-Q578 WeakPolarHBondContact O-CG 3.42Å; L574-Q578 PolarHBondContact O-N 3.09Å; L574-Q578 PolarHBondContact O-OE1 3.36Å; L574-V631 HydrophobicContact CD2-CB 4.17Å; L574-V631 HydrophobicContact CD2-CG1 3.83Å
575	N	98.8	Very high	98.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.5	-45.4	176.1	-72.4	-78.3	0	0	0	111.7	Y258 T261 G273 T276 N571 L572 M573 Q578 T579	Y258-N575 HydrophobicContact CD1-CB 4.37Å; Y258-N575 HydrophobicContact CD2-CB 3.72Å; Y258-N575 HydrophobicContact CE2-CB 4.2Å; Y258-N575 HydrophobicContact CG-CB 3.83Å; T261-N575 HydrophobicContact CG2-CB 4.17Å; G273-N575 PolarHBondContact O-ND2 2.76Å; T276-N575 VanDerWaalsContact CB-OD1 3.27Å; T276-N575 WeakPolarHBondContact CB-OD1 3.35Å; T276-N575 VanDerWaalsContact OG1-CG 3.29Å; T276-N575 PolarHBondContact OG1-ND2 3.38Å; T276-N575 VanDerWaalsContact OG1-ND2 3.15Å; T276-N575 PolarHBondContact OG1-OD1 3.45Å; N571-N575 PolarHBondContact O-N 3.01Å; N571-N575 PolarHBondContact O-ND2 3.44Å; L572-N575 PolarHBondContact O-N 3.01Å; M573-N575 PolarHBondContact O-N 2.82Å; N575-Q578 PolarHBondContact O-N 2.79Å; N575-T579 WeakPolarHBondContact O-CB 3.39Å; N575-T579 PolarHBondContact O-N 3.12Å; N575-T579 PolarHBondContact O-OG1 3.07Å; N575-T579 VanDerWaalsContact O-OG1 3.11Å
576	A	98.8	Very high	98.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.6	-46.2	-178	0	0	0	0	0	112.6	T261 M516 M520 M540 L572 M573 Q578 T579 I580	T261-A576 HydrophobicContact CG2-CB 4.01Å; M516-A576 HydrophobicContact CG-CB 4.01Å; M516-A576 HydrophobicContact SD-CB 3.97Å; M520-A576 HydrophobicContact CG-CB 4.24Å; M520-A576 HydrophobicContact SD-CB 4.09Å; M540-A576 HydrophobicContact CE-CB 4.13Å; M540-A576 HydrophobicContact SD-CB 4.07Å; L572-A576 WeakPolarHBondContact O-CB 3.49Å; L572-A576 PolarHBondContact O-N 3.2Å; M573-A576 PolarHBondContact O-N 3.1Å; A576-Q578 VanDerWaalsContact C-N 3.33Å; A576-Q578 PolarHBondContact O-N 3.35Å; A576-T579 PolarHBondContact O-N 3.32Å; A576-I580 PolarHBondContact O-N 2.97Å
577	V	98.5	Very high	98.7	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.018	8%	0.075	C	C	.	.	H	α-helix	trans	-62.4	-41.3	178.2	-64.3	0	0	0	0	111.2	M540 Y544 M573 L574 N581 V631 V638	M540-V577 HydrophobicContact CG-CG1 3.71Å; Y544-V577 HydrophobicContact CD2-CG1 3.81Å; Y544-V577 HydrophobicContact CG-CG1 4.47Å; M573-V577 WeakPolarHBondContact O-CG1 3.4Å; M573-V577 WeakPolarHBondContact O-CG2 3.45Å; M573-V577 PolarHBondContact O-N 3.45Å; L574-V577 VanDerWaalsContact O-CG2 3.24Å; L574-V577 WeakPolarHBondContact O-CG2 3.48Å; V577-N581 WeakPolarHBondContact O-CB 3.26Å; V577-N581 PolarHBondContact O-N 2.73Å; V577-N581 VanDerWaalsContact O-N 3.15Å; V577-N581 PolarHBondContact O-ND2 2.82Å; V577-V631 HydrophobicContact CG2-CG1 4.17Å; V577-V631 HydrophobicContact CG2-CG2 4.11Å; V577-V638 HydrophobicContact CB-CG2 3.97Å; V577-V638 HydrophobicContact CG2-CG2 3.95Å
578	Q	98.8	Very high	98.7	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-65.2	-45.3	178	-68.3	172.5	-114.2	0	0	111.5	T280 L289 L574 N575 A576 G582 S629 V631	T280-Q578 PolarHBondContact OG1-OE1 3.43Å; L289-Q578 HydrophobicContact CB-CB 4.49Å; L289-Q578 HydrophobicContact CD1-CB 3.48Å; L289-Q578 VanDerWaalsContact CD1-CB 3.48Å; L289-Q578 HydrophobicContact CD1-CG 4.2Å; L574-Q578 VanDerWaalsContact O-CG 3.27Å; L574-Q578 WeakPolarHBondContact O-CG 3.42Å; L574-Q578 PolarHBondContact O-N 3.09Å; L574-Q578 PolarHBondContact O-OE1 3.36Å; N575-Q578 PolarHBondContact O-N 2.79Å; A576-Q578 VanDerWaalsContact C-N 3.33Å; A576-Q578 PolarHBondContact O-N 3.35Å; Q578-G582 PolarHBondContact O-N 2.86Å; Q578-S629 PolarHBondContact NE2-O 3.09Å; Q578-S629 PolarHBondContact NE2-OG 2.94Å; Q578-V631 VanDerWaalsContact CD-CG2 3.42Å; Q578-V631 HydrophobicContact CG-CG2 3.18Å
579	T	98.9	Very high	98.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.6	-51.5	178.5	-68	0	0	0	0	112.2	Y258 L289 V292 M520 N575 A576 A583	Y258-T579 WeakPolarHBondContact CE2-OG1 3.42Å; Y258-T579 PolarHBondContact OH-OG1 2.83Å; L289-T579 WeakPolarHBondContact O-CB 3.18Å; L289-T579 VanDerWaalsContact O-CG2 3.27Å; L289-T579 WeakPolarHBondContact O-CG2 3.43Å; L289-T579 PolarHBondContact O-OG1 2.93Å; V292-T579 HydrophobicContact CG2-CG2 3.94Å; M520-T579 HydrophobicContact CE-CG2 3.57Å; N575-T579 WeakPolarHBondContact O-CB 3.39Å; N575-T579 PolarHBondContact O-N 3.12Å; N575-T579 PolarHBondContact O-OG1 3.07Å; N575-T579 VanDerWaalsContact O-OG1 3.11Å; A576-T579 PolarHBondContact O-N 3.32Å; T579-A583 WeakPolarHBondContact O-CB 3.46Å; T579-A583 PolarHBondContact O-N 3.41Å
580	I	98.6	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-73.3	-37.4	-173.1	-159.9	161.1	0	0	0	112.3	M520 H523 A524 L533 G536 M540 A576 A583 E584	M520-I580 HydrophobicContact SD-CB 4.18Å; M520-I580 HydrophobicContact SD-CD1 4.24Å; H523-I580 HydrophobicContact CB-CD1 4.03Å; A524-I580 HydrophobicContact CB-CD1 4.31Å; A524-I580 HydrophobicContact CB-CG1 4.37Å; L533-I580 HydrophobicContact CD2-CG1 4.17Å; G536-I580 VanDerWaalsContact C-CD1 3.49Å; M540-I580 HydrophobicContact CB-CG2 4.25Å; M540-I580 HydrophobicContact CG-CG2 4.36Å; A576-I580 PolarHBondContact O-N 2.97Å; I580-A583 PolarHBondContact O-N 3.35Å; I580-E584 PolarHBondContact O-N 3.05Å
581	N	98.8	Very high	98.6	Very high	47 Å²	47	14 Å²	14	25%	0.251	7%	0.069	S	C	.	.	H	α-helix	trans	-69.3	-38.4	175.9	-77.3	-90.1	0	0	0	111.5	V577 A583 E584 Q585 V638	V577-N581 WeakPolarHBondContact O-CB 3.26Å; V577-N581 PolarHBondContact O-N 2.73Å; V577-N581 VanDerWaalsContact O-N 3.15Å; V577-N581 PolarHBondContact O-ND2 2.82Å; N581-A583 VanDerWaalsContact C-N 3.31Å; N581-A583 PolarHBondContact O-N 3.21Å; N581-E584 PolarHBondContact O-N 3.46Å; N581-Q585 WeakPolarHBondContact O-CB 3.4Å; N581-Q585 PolarHBondContact O-N 3.24Å; N581-Q585 VanDerWaalsContact O-N 3.11Å; N581-V638 HydrophobicContact CB-CB 4Å; N581-V638 HydrophobicContact CB-CG1 4Å; N581-V638 HydrophobicContact CB-CG2 4.09Å
582	G	98.7	Very high	98.6	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.01	7%	0.072	C	C	.	.	H	α-helix	trans	-60.6	-41.7	171.4	0	0	0	0	0	112.1	Q578 R586	Q578-G582 PolarHBondContact O-N 2.86Å; G582-R586 WeakPolarHBondContact O-CB 3.45Å; G582-R586 PolarHBondContact O-N 3.05Å; G582-R586 VanDerWaalsContact O-N 3.11Å
583	A	98.7	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-67.4	-39.2	178.3	0	0	0	0	0	113.1	E290 L533 T579 I580 N581 H593 R595	E290-A583 HydrophobicContact CB-CB 3.9Å; L533-A583 HydrophobicContact CD1-CB 4.4Å; L533-A583 WeakPolarHBondContact CD1-O 3.42Å; L533-A583 HydrophobicContact CD2-CB 3.81Å; T579-A583 WeakPolarHBondContact O-CB 3.46Å; T579-A583 PolarHBondContact O-N 3.41Å; I580-A583 PolarHBondContact O-N 3.35Å; N581-A583 VanDerWaalsContact C-N 3.31Å; N581-A583 PolarHBondContact O-N 3.21Å; A583-H593 PolarHBondContact O-CE1 3.41Å; A583-H593 VanDerWaalsContact O-CE1 3.28Å; A583-R595 PolarHBondContact O-NH1 3.36Å; A583-R595 VanDerWaalsContact O-NH1 3.08Å
584	E	98.6	Very high	98.5	Very high	43 Å²	43	14.3 Å²	14.3	20%	0.201	7%	0.073	C	C	.	.	H	α-helix	trans	-63.6	-45.9	176.4	-169.4	-76.9	144.1	0	0	111.1	L533 I580 N581 R595	L533-E584 HydrophobicContact CB-CB 4.07Å; L533-E584 HydrophobicContact CB-CG 4.16Å; I580-E584 PolarHBondContact O-N 3.05Å; N581-E584 PolarHBondContact O-N 3.46Å; E584-R595 PolarHBondContact O-NH1 2.88Å
585	Q	98.3	Very high	98.5	Very high	77 Å²	77	14.3 Å²	14.3	36%	0.36	7%	0.073	S	C	.	.	H	α-helix	trans	-70	-35.4	-176	-176	62.3	20.5	0	0	113.1	N581 K587 W623 L640 Y642	N581-Q585 WeakPolarHBondContact O-CB 3.4Å; N581-Q585 PolarHBondContact O-N 3.24Å; N581-Q585 VanDerWaalsContact O-N 3.11Å; Q585-K587 PolarHBondContact O-N 3.15Å; Q585-K587 VanDerWaalsContact O-N 3.15Å; Q585-W623 HydrophobicContact CG-CH2 4.24Å; Q585-W623 WeakPolarHBondContact O-CH2 3.12Å; Q585-W623 VanDerWaalsContact O-CZ2 3.27Å; Q585-W623 WeakPolarHBondContact O-CZ2 3.25Å; Q585-L640 HydrophobicContact CB-CD1 3.51Å; Q585-L640 HydrophobicContact CG-CD1 3.76Å; Q585-Y642 WeakPolarHBondContact CG-OH 3.49Å
586	R	98.6	Very high	98.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.			trans	-72.4	103.8	179.7	-176	171.4	-70.8	-86.5	-0.9	111	E290 G582 E588 H593 R595 W623 K625 T627	E290-R586 IonicContact OE1-CZ 3.65Å; E290-R586 IonicContact OE1-NE 2.69Å; E290-R586 PolarHBondContact OE1-NE 2.93Å; E290-R586 IonicContact OE1-NH2 3.67Å; E290-R586 PolarHBondContact OE1-NH2 2.77Å; G582-R586 WeakPolarHBondContact O-CB 3.45Å; G582-R586 PolarHBondContact O-N 3.05Å; G582-R586 VanDerWaalsContact O-N 3.11Å; R586-E588 HydrophobicContact CG-CG 3.82Å; R586-E588 IonicContact NH1-OE1 3.73Å; R586-E588 PolarHBondContact NH1-OE1 3.28Å; R586-E588 PolarHBondContact O-N 2.88Å; R586-H593 PolarHBondContact O-NE2 2.9Å; R586-H593 VanDerWaalsContact O-NE2 3.15Å; R586-R595 PolarHBondContact O-NH1 2.94Å; R586-W623 HydrophobicContact CB-CE3 4.43Å; R586-W623 HydrophobicContact CB-CZ3 4.29Å; R586-W623 HydrophobicContact CG-CD2 4.35Å; R586-W623 HydrophobicContact CG-CE3 4.05Å; R586-W623 HydrophobicContact CG-CZ3 4.42Å; R586-W623 PolarHBondContact NH1-O 2.76Å; R586-K625 PolarHBondContact NH2-O 3.06Å; R586-T627 PolarHBondContact NH2-OG1 3.24Å
587	K	98.4	Very high	98.3	Very high	85 Å²	85	21 Å²	21	37%	0.37	11%	0.107	S	C	.	.			trans	-99.8	58.6	-177.7	-65.7	175.7	-173	178.9	0	111.6	Q585 F598 W623	Q585-K587 PolarHBondContact O-N 3.15Å; Q585-K587 VanDerWaalsContact O-N 3.15Å; K587-F598 HydrophobicContact CB-CD1 3.94Å; K587-F598 HydrophobicContact CB-CD2 3.89Å; K587-F598 HydrophobicContact CB-CE1 3.94Å; K587-F598 HydrophobicContact CB-CE2 3.9Å; K587-F598 HydrophobicContact CB-CG 3.93Å; K587-F598 HydrophobicContact CB-CZ 3.92Å; K587-F598 HydrophobicContact CD-CE2 4.08Å; K587-F598 HydrophobicContact CD-CZ 3.9Å; K587-F598 HydrophobicContact CG-CD2 4.15Å; K587-F598 HydrophobicContact CG-CE2 3.81Å; K587-F598 HydrophobicContact CG-CZ 4.03Å; K587-F598 WeakPolarHBondContact O-CD1 3.46Å; K587-W623 HydrophobicContact CB-CZ2 4.16Å; K587-W623 PolarHBondContact O-NE1 2.81Å
588	E	98.5	Very high	98.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-149.6	177.5	170.9	66.9	162.3	174.1	0	0	109.4	R586 R590 H593 R595 F598 I602 W623	R586-E588 HydrophobicContact CG-CG 3.82Å; R586-E588 IonicContact NH1-OE1 3.73Å; R586-E588 PolarHBondContact NH1-OE1 3.28Å; R586-E588 PolarHBondContact O-N 2.88Å; E588-R590 IonicContact OE1-CZ 3.7Å; E588-R590 IonicContact OE1-NE 3.41Å; E588-R590 PolarHBondContact OE1-NE 2.74Å; E588-R590 IonicContact OE1-NH2 3.57Å; E588-R590 IonicContact OE2-CZ 2.74Å; E588-R590 IonicContact OE2-NE 3.38Å; E588-R590 IonicContact OE2-NH2 2.82Å; E588-R590 PolarHBondContact OE2-NH2 3.35Å; E588-H593 PolarHBondContact O-CD2 3.02Å; E588-H593 VanDerWaalsContact O-CD2 3.24Å; E588-R595 WeakPolarHBondContact O-CG 3.04Å; E588-F598 CarbonylContact C-O 3.54Å; E588-F598 VanDerWaalsContact C-O 3.22Å; E588-I602 HydrophobicContact CB-CB 4.31Å; E588-I602 HydrophobicContact CB-CD1 4.21Å; E588-I602 HydrophobicContact CB-CG1 3.99Å; E588-I602 PolarHBondContact OE2-N 3.09Å; E588-W623 HydrophobicContact CB-CB 4.15Å; E588-W623 HydrophobicContact CB-CG 4.09Å; E588-W623 HydrophobicContact CG-CB 3.57Å; E588-W623 HydrophobicContact CG-CG 3.81Å; E588-W623 WeakPolarHBondContact OE1-CB 3.04Å; E588-W623 VanDerWaalsContact OE2-CB 3.31Å; E588-W623 WeakPolarHBondContact OE2-CB 3.26Å
589	S	98.6	Very high	98.1	Very high	21 Å²	21	32 Å²	32	15%	0.147	15%	0.154	C	C	.	.			trans	-117.7	127.2	163.4	-66.9	0	0	0	0	110.7	H593 R595 F598 K599 D600 R601	S589-H593 CarbonylContact C-O 3.52Å; S589-H593 VanDerWaalsContact CA-O 3.3Å; S589-H593 WeakPolarHBondContact CA-O 3.4Å; S589-R595 PolarHBondContact OG-N 3.45Å; S589-R595 PolarHBondContact OG-O 2.81Å; S589-F598 WeakPolarHBondContact CB-O 3.35Å; S589-F598 PolarHBondContact N-O 3.26Å; S589-F598 VanDerWaalsContact N-O 3.1Å; S589-F598 PolarHBondContact OG-O 2.97Å; S589-K599 WeakPolarHBondContact CB-O 3.17Å; S589-D600 PolarHBondContact N-O 3.24Å; S589-R601 VanDerWaalsContact O-CA 3.25Å; S589-R601 WeakPolarHBondContact O-CA 3.32Å; S589-R601 WeakPolarHBondContact O-CB 3.35Å
590	R	98.6	Very high	98	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-150	129	-179.3	-172.2	-175.7	-62	-88.1	-8.5	110.4	D130 F291 A450 E588 A592 H593 R601 D603	D130-R590 HydrophobicContact CB-CG 3.81Å; D130-R590 PolarHBondContact O-NH1 3.23Å; D130-R590 WeakPolarHBondContact OD2-CA 3.38Å; D130-R590 VanDerWaalsContact OD2-CG 3.3Å; D130-R590 WeakPolarHBondContact OD2-CG 3.41Å; F291-R590 HydrophobicContact CE1-CB 4.35Å; F291-R590 WeakPolarHBondContact CE1-O 3.23Å; A450-R590 HydrophobicContact CB-CB 4.37Å; A450-R590 HydrophobicContact CB-CG 3.66Å; E588-R590 IonicContact OE1-CZ 3.7Å; E588-R590 IonicContact OE1-NE 3.41Å; E588-R590 PolarHBondContact OE1-NE 2.74Å; E588-R590 IonicContact OE1-NH2 3.57Å; E588-R590 IonicContact OE2-CZ 2.74Å; E588-R590 IonicContact OE2-NE 3.38Å; E588-R590 IonicContact OE2-NH2 2.82Å; E588-R590 PolarHBondContact OE2-NH2 3.35Å; R590-A592 PolarHBondContact O-N 3.06Å; R590-H593 PolarHBondContact N-O 2.94Å; R590-H593 WeakPolarHBondContact O-CB 3.2Å; R590-H593 PolarHBondContact O-N 3.47Å; R590-R601 HydrophobicContact CB-CG 4.34Å; R590-R601 HydrophobicContact CG-CG 4.3Å; R590-R601 VanDerWaalsContact CZ-CG 3.49Å; R590-R601 VanDerWaalsContact NH2-CG 3.34Å; R590-D603 IonicContact CZ-OD1 3.66Å; R590-D603 IonicContact NH1-OD1 3.5Å; R590-D603 PolarHBondContact NH1-OD1 2.96Å; R590-D603 IonicContact NH2-OD1 3.55Å; R590-D603 PolarHBondContact NH2-OD1 3.31Å
591	G	98.1	Very high	98	Very high	3 Å²	3	40.8 Å²	40.8	3%	0.031	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	-121.7	179.5	0	0	0	0	0	112.9	D130 R344 H593	D130-G591 PolarHBondContact OD2-N 3.3Å; R344-G591 PolarHBondContact NH1-O 3.49Å; G591-H593 VanDerWaalsContact C-N 3.29Å; G591-H593 PolarHBondContact O-N 2.88Å
592	A	98	Very high	98	Very high	7 Å²	7	40.5 Å²	40.5	6%	0.058	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-10.7	-179.7	0	0	0	0	0	114.7	V292 D340 M409 A450 R590	V292-A592 WeakPolarHBondContact O-CB 3.2Å; D340-A592 HydrophobicContact CB-CB 4.49Å; M409-A592 HydrophobicContact CE-CB 3.68Å; A450-A592 WeakPolarHBondContact O-CB 3.45Å; A450-A592 PolarHBondContact O-N 3.48Å; R590-A592 PolarHBondContact O-N 3.06Å
593	H	98.6	Very high	98	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-92.2	106.6	175.3	-176.8	70.1	0	0	0	110.1	F291 R528 A583 R586 E588 S589 R590 G591 R595	F291-H593 HydrophobicContact CD1-CB 3.86Å; F291-H593 HydrophobicContact CE1-CB 3.63Å; F291-H593 HydrophobicContact CZ-CB 4.5Å; R528-H593 PolarHBondContact NH1-ND1 3.25Å; A583-H593 PolarHBondContact O-CE1 3.41Å; A583-H593 VanDerWaalsContact O-CE1 3.28Å; R586-H593 PolarHBondContact O-NE2 2.9Å; R586-H593 VanDerWaalsContact O-NE2 3.15Å; E588-H593 PolarHBondContact O-CD2 3.02Å; E588-H593 VanDerWaalsContact O-CD2 3.24Å; S589-H593 CarbonylContact C-O 3.52Å; S589-H593 VanDerWaalsContact CA-O 3.3Å; S589-H593 WeakPolarHBondContact CA-O 3.4Å; R590-H593 PolarHBondContact N-O 2.94Å; R590-H593 WeakPolarHBondContact O-CB 3.2Å; R590-H593 PolarHBondContact O-N 3.47Å; G591-H593 VanDerWaalsContact C-N 3.29Å; G591-H593 PolarHBondContact O-N 2.88Å; H593-R595 VanDerWaalsContact NE2-CG 3.26Å; H593-R595 WeakPolarHBondContact NE2-CG 3.34Å
594	A	98.1	Very high	97.9	Very high	7 Å²	7	41.1 Å²	41.1	6%	0.058	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	112.5	-179.2	0	0	0	0	0	111.6	F527 R528	F527-A594 HydrophobicContact CD1-CB 4.24Å; F527-A594 HydrophobicContact CE1-CB 4.48Å; R528-A594 PolarHBondContact N-O 3.39Å
595	R	97.8	Very high	97.9	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.7	178.8	-72.4	-74.6	-64.9	-99.7	3.3	109.8	R528 G530 A583 E584 R586 E588 S589 H593 D597 F598 K599	R528-R595 CarbonylContact O-C 3.58Å; R528-R595 VanDerWaalsContact O-CA 3.31Å; R528-R595 WeakPolarHBondContact O-CA 3.08Å; G530-R595 VanDerWaalsContact CA-NH2 3.3Å; A583-R595 PolarHBondContact O-NH1 3.36Å; A583-R595 VanDerWaalsContact O-NH1 3.08Å; E584-R595 PolarHBondContact O-NH1 2.88Å; R586-R595 PolarHBondContact O-NH1 2.94Å; E588-R595 WeakPolarHBondContact O-CG 3.04Å; S589-R595 PolarHBondContact OG-N 3.45Å; S589-R595 PolarHBondContact OG-O 2.81Å; H593-R595 VanDerWaalsContact NE2-CG 3.26Å; H593-R595 WeakPolarHBondContact NE2-CG 3.34Å; R595-D597 WeakPolarHBondContact CB-OD1 3.43Å; R595-D597 IonicContact CZ-OD1 2.7Å; R595-D597 IonicContact CZ-OD2 3.31Å; R595-D597 IonicContact NE-OD1 3.56Å; R595-D597 PolarHBondContact NE-OD1 3.48Å; R595-D597 IonicContact NE-OD2 2.78Å; R595-D597 IonicContact NH2-OD1 2.65Å; R595-D597 IonicContact NH2-OD2 3.35Å; R595-D597 PolarHBondContact NH2-OD2 2.72Å; R595-D597 PolarHBondContact O-N 3.18Å; R595-F598 HydrophobicContact CB-CB 3.95Å; R595-F598 CarbonylContact O-C 3.56Å; R595-F598 PolarHBondContact O-N 3.43Å; R595-F598 VanDerWaalsContact O-N 3.11Å; R595-F598 VanDerWaalsContact O-O 3.1Å; R595-K599 PolarHBondContact O-N 2.91Å
596	E	95.6	Very high	97.8	Very high	71 Å²	71	41.1 Å²	41.1	33%	0.332	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-23.5	179.6	-56.2	-174.8	114.1	0	0	112.3	R351 F527 R528 T529 K599	R351-E596 IonicContact CZ-OE1 3.4Å; R351-E596 IonicContact NH1-OE1 3.96Å; R351-E596 PolarHBondContact NH1-OE1 2.85Å; R351-E596 IonicContact NH1-OE2 2.73Å; R351-E596 IonicContact NH2-OE1 3.6Å; R351-E596 PolarHBondContact NH2-OE1 3.18Å; R351-E596 IonicContact NH2-OE2 3.7Å; R351-E596 PolarHBondContact NH2-OE2 3.44Å; F527-E596 HydrophobicContact CB-CG 4.32Å; F527-E596 HydrophobicContact CD1-CG 3.94Å; F527-E596 HydrophobicContact CG-CG 4.47Å; R528-E596 PolarHBondContact O-N 2.73Å; T529-E596 HydrophobicContact CG2-CB 3.95Å; T529-E596 HydrophobicContact CG2-CG 4.37Å; E596-K599 WeakPolarHBondContact O-CE 3.41Å; E596-K599 WeakPolarHBondContact O-CG 3.38Å
597	D	97.2	Very high	97.7	Very high	70 Å²	70	43.1 Å²	43.1	37%	0.374	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-13.4	173	57.9	-30.8	0	0	0	113.7	G530 R595	G530-D597 WeakPolarHBondContact CA-OD2 3.39Å; G530-D597 PolarHBondContact N-OD2 3Å; R595-D597 WeakPolarHBondContact CB-OD1 3.43Å; R595-D597 IonicContact CZ-OD1 2.7Å; R595-D597 IonicContact CZ-OD2 3.31Å; R595-D597 IonicContact NE-OD1 3.56Å; R595-D597 PolarHBondContact NE-OD1 3.48Å; R595-D597 IonicContact NE-OD2 2.78Å; R595-D597 IonicContact NH2-OD1 2.65Å; R595-D597 IonicContact NH2-OD2 3.35Å; R595-D597 PolarHBondContact NH2-OD2 2.72Å; R595-D597 PolarHBondContact O-N 3.18Å
598	F	97.5	Very high	97.6	Very high	78 Å²	78	42.3 Å²	42.3	34%	0.342	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-141.6	75.3	175.7	-66.6	-85.7	0	0	0	110.2	K587 E588 S589 R595 D600	K587-F598 HydrophobicContact CB-CD1 3.94Å; K587-F598 HydrophobicContact CB-CD2 3.89Å; K587-F598 HydrophobicContact CB-CE1 3.94Å; K587-F598 HydrophobicContact CB-CE2 3.9Å; K587-F598 HydrophobicContact CB-CG 3.93Å; K587-F598 HydrophobicContact CB-CZ 3.92Å; K587-F598 HydrophobicContact CD-CE2 4.08Å; K587-F598 HydrophobicContact CD-CZ 3.9Å; K587-F598 HydrophobicContact CG-CD2 4.15Å; K587-F598 HydrophobicContact CG-CE2 3.81Å; K587-F598 HydrophobicContact CG-CZ 4.03Å; K587-F598 WeakPolarHBondContact O-CD1 3.46Å; E588-F598 CarbonylContact C-O 3.54Å; E588-F598 VanDerWaalsContact C-O 3.22Å; S589-F598 WeakPolarHBondContact CB-O 3.35Å; S589-F598 PolarHBondContact N-O 3.26Å; S589-F598 VanDerWaalsContact N-O 3.1Å; S589-F598 PolarHBondContact OG-O 2.97Å; R595-F598 HydrophobicContact CB-CB 3.95Å; R595-F598 CarbonylContact O-C 3.56Å; R595-F598 PolarHBondContact O-N 3.43Å; R595-F598 VanDerWaalsContact O-N 3.11Å; R595-F598 VanDerWaalsContact O-O 3.1Å; F598-D600 VanDerWaalsContact C-N 3.33Å; F598-D600 PolarHBondContact O-N 2.76Å
599	K	97	Very high	97.5	Very high	157 Å²	157	48.5 Å²	48.5	68%	0.683	24%	0.237	S	C	*	.			trans	-73.3	-22.8	-168.7	-58.6	-172.5	-178.7	-168.9	0	114.6	S589 R595 E596	S589-K599 WeakPolarHBondContact CB-O 3.17Å; R595-K599 PolarHBondContact O-N 2.91Å; E596-K599 WeakPolarHBondContact O-CE 3.41Å; E596-K599 WeakPolarHBondContact O-CG 3.38Å
600	D	96.9	Very high	97.4	Very high	127 Å²	127	52.8 Å²	52.8	68%	0.679	26%	0.264	S	S	*	.	S	Bend	trans	-88.9	148	-174.1	-58.9	-41.2	0	0	0	111.6	S589 F598	S589-D600 PolarHBondContact N-O 3.24Å; F598-D600 VanDerWaalsContact C-N 3.33Å; F598-D600 PolarHBondContact O-N 2.76Å
601	R	97.8	Very high	97.2	Very high	56 Å²	56	56.7 Å²	56.7	21%	0.211	29%	0.285	C	S	.	.			trans	-79.5	130.7	166.9	-167.2	-174.2	81.3	-154.5	-4.3	108.9	D130 S589 R590 D603 A661	D130-R601 VanDerWaalsContact OD1-CD 3.27Å; D130-R601 WeakPolarHBondContact OD1-CD 3.23Å; D130-R601 IonicContact OD1-CZ 3.02Å; D130-R601 IonicContact OD1-NE 3.41Å; D130-R601 IonicContact OD1-NH1 3.66Å; D130-R601 PolarHBondContact OD1-NH1 3.21Å; S589-R601 VanDerWaalsContact O-CA 3.25Å; S589-R601 WeakPolarHBondContact O-CA 3.32Å; S589-R601 WeakPolarHBondContact O-CB 3.35Å; R590-R601 HydrophobicContact CB-CG 4.34Å; R590-R601 HydrophobicContact CG-CG 4.3Å; R590-R601 VanDerWaalsContact CZ-CG 3.49Å; R590-R601 VanDerWaalsContact NH2-CG 3.34Å; R601-D603 IonicContact CZ-OD2 2.67Å; R601-D603 IonicContact NE-OD1 2.65Å; R601-D603 PolarHBondContact NE-OD1 3.14Å; R601-D603 IonicContact NE-OD2 2.71Å; R601-D603 PolarHBondContact NE-OD2 2.7Å; R601-D603 IonicContact NH2-OD2 3.65Å; R601-D603 PolarHBondContact NH2-OD2 2.84Å; R601-A661 PolarHBondContact NH1-O 2.71Å; R601-A661 PolarHBondContact NH2-O 2.98Å
602	I	98.1	Very high	97.1	Very high	41 Å²	41	65.5 Å²	65.5	21%	0.21	33%	0.325	C	S	.	.			trans	-116	95.1	-172.8	-51.8	-179.6	0	0	0	109.8	E588 H622 W623 R624	E588-I602 HydrophobicContact CB-CB 4.31Å; E588-I602 HydrophobicContact CB-CD1 4.21Å; E588-I602 HydrophobicContact CB-CG1 3.99Å; E588-I602 PolarHBondContact OE2-N 3.09Å; I602-H622 HydrophobicContact CG2-CB 4.37Å; I602-W623 PolarHBondContact O-N 2.67Å; I602-R624 PolarHBondContact O-N 2.75Å
603	D	98.3	Very high	96.9	Very high	7 Å²	7	69.3 Å²	69.3	4%	0.037	37%	0.365	C	S	.	.			trans	-92.4	174.9	173.3	-50.3	-51.2	0	0	0	111.6	R590 R601 Y605 Y607 H622 R624	R590-D603 IonicContact CZ-OD1 3.66Å; R590-D603 IonicContact NH1-OD1 3.5Å; R590-D603 PolarHBondContact NH1-OD1 2.96Å; R590-D603 IonicContact NH2-OD1 3.55Å; R590-D603 PolarHBondContact NH2-OD1 3.31Å; R601-D603 IonicContact CZ-OD2 2.67Å; R601-D603 IonicContact NE-OD1 2.65Å; R601-D603 PolarHBondContact NE-OD1 3.14Å; R601-D603 IonicContact NE-OD2 2.71Å; R601-D603 PolarHBondContact NE-OD2 2.7Å; R601-D603 IonicContact NH2-OD2 3.65Å; R601-D603 PolarHBondContact NH2-OD2 2.84Å; D603-Y605 PolarHBondContact O-N 2.55Å; D603-Y607 HydrophobicContact CB-CD2 3.81Å; D603-Y607 HydrophobicContact CB-CE2 3.8Å; D603-H622 WeakPolarHBondContact O-CB 3.38Å; D603-R624 HydrophobicContact CB-CB 4.43Å
604	E	98	Very high	96.9	Very high	8 Å²	8	71.8 Å²	71.8	4%	0.037	38%	0.376	C	S	.	.	S	Bend	trans	-66.4	-20.2	178.7	69.2	-89.3	-148.3	0	0	113.7	Y607 K616 K617 R624	E604-Y607 PolarHBondContact OE1-OH 2.94Å; E604-K616 HydrophobicContact CB-CG 4.02Å; E604-K616 HydrophobicContact CG-CG 4.22Å; E604-K617 PolarHBondContact O-N 3.35Å; E604-R624 IonicContact OE1-CZ 4Å; E604-R624 IonicContact OE1-NE 3.2Å; E604-R624 PolarHBondContact OE1-NE 2.72Å; E604-R624 IonicContact OE1-NH2 3.76Å; E604-R624 PolarHBondContact OE1-NH2 3.19Å; E604-R624 IonicContact OE2-CZ 3.59Å; E604-R624 IonicContact OE2-NE 3.94Å; E604-R624 PolarHBondContact OE2-NE 3.48Å; E604-R624 IonicContact OE2-NH2 3.85Å
605	Y	97.8	Very high	96.8	Very high	64 Å²	64	79.9 Å²	79.9	25%	0.251	41%	0.413	S	S	.	.	S	Bend	trans	-130.7	162.5	172.8	-66.8	-74.9	0	0	0	109.5	D603 Y607 L611 Q614 K616	D603-Y605 PolarHBondContact O-N 2.55Å; Y605-Y607 HydrophobicContact CD2-CE2 4.39Å; Y605-Y607 WeakPolarHBondContact O-CD2 3.31Å; Y605-Y607 PolarHBondContact O-N 3.02Å; Y605-L611 HydrophobicContact CG-CD2 4.09Å; Y605-Q614 HydrophobicContact CD1-CB 3.94Å; Y605-Q614 HydrophobicContact CE1-CB 4.39Å; Y605-K616 HydrophobicContact CD1-CB 4.49Å; Y605-K616 HydrophobicContact CE1-CB 3.68Å; Y605-K616 HydrophobicContact CE1-CG 4.19Å; Y605-K616 HydrophobicContact CE2-CB 4.25Å; Y605-K616 HydrophobicContact CE2-CD 4.01Å; Y605-K616 HydrophobicContact CE2-CG 3.91Å; Y605-K616 WeakPolarHBondContact OH-CB 3.39Å
606	D	96.9	Very high	96.7	Very high	55 Å²	55	85.2 Å²	85.2	29%	0.294	44%	0.437	S	S	.	.			trans	-85.9	89.8	166.8	-176.9	-1.6	0	0	0	109.4	S608 K609 Q614	D606-S608 PolarHBondContact O-N 3.42Å; D606-S608 VanDerWaalsContact O-N 3.16Å; D606-S608 VanDerWaalsContact OD1-CB 3.3Å; D606-S608 WeakPolarHBondContact OD1-CB 3.33Å; D606-S608 PolarHBondContact OD1-N 3.31Å; D606-S608 VanDerWaalsContact OD1-N 3.07Å; D606-S608 PolarHBondContact OD1-OG 3.34Å; D606-K609 PolarHBondContact O-N 3.15Å; D606-K609 VanDerWaalsContact O-N 3.16Å; D606-K609 WeakPolarHBondContact OD2-CD 3.46Å; D606-K609 WeakPolarHBondContact OD2-CE 3.41Å; D606-K609 IonicContact OD2-NZ 3Å; D606-K609 PolarHBondContact OD2-NZ 3.13Å; D606-Q614 PolarHBondContact O-NE2 2.95Å
607	Y	96.8	Very high	96.8	Very high	42 Å²	42	85.6 Å²	85.6	17%	0.165	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	2.6	179	-68.8	-84.6	0	0	0	114	D603 E604 Y605 K609 L611 P660	D603-Y607 HydrophobicContact CB-CD2 3.81Å; D603-Y607 HydrophobicContact CB-CE2 3.8Å; E604-Y607 PolarHBondContact OE1-OH 2.94Å; Y605-Y607 HydrophobicContact CD2-CE2 4.39Å; Y605-Y607 WeakPolarHBondContact O-CD2 3.31Å; Y605-Y607 PolarHBondContact O-N 3.02Å; Y607-K609 VanDerWaalsContact C-N 3.28Å; Y607-L611 HydrophobicContact CD1-CD2 3.96Å; Y607-L611 HydrophobicContact CE1-CD1 4.14Å; Y607-L611 HydrophobicContact CE1-CD2 4.04Å; Y607-P660 HydrophobicContact CD1-CB 4.07Å; Y607-P660 WeakPolarHBondContact CD1-O 3.36Å; Y607-P660 HydrophobicContact CD2-CB 3.62Å; Y607-P660 HydrophobicContact CD2-CG 4.29Å; Y607-P660 HydrophobicContact CE1-CB 4.08Å; Y607-P660 HydrophobicContact CE1-CG 4.21Å; Y607-P660 HydrophobicContact CE2-CB 3.63Å; Y607-P660 HydrophobicContact CE2-CG 3.76Å; Y607-P660 HydrophobicContact CG-CB 3.84Å
608	S	95.8	Very high	96.8	Very high	69 Å²	69	85.1 Å²	85.1	48%	0.483	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-11.1	167.7	76.7	0	0	0	0	112.9	D606	D606-S608 PolarHBondContact O-N 3.42Å; D606-S608 VanDerWaalsContact O-N 3.16Å; D606-S608 VanDerWaalsContact OD1-CB 3.3Å; D606-S608 WeakPolarHBondContact OD1-CB 3.33Å; D606-S608 PolarHBondContact OD1-N 3.31Å; D606-S608 VanDerWaalsContact OD1-N 3.07Å; D606-S608 PolarHBondContact OD1-OG 3.34Å
609	K	95.8	Very high	96.7	Very high	129 Å²	129	84.3 Å²	84.3	56%	0.561	43%	0.434	S	S	*	.	S	Bend	trans	-126.3	163.4	-177.1	-65.1	177.3	-170.3	131.2	0	111.2	D606 Y607 L611	D606-K609 PolarHBondContact O-N 3.15Å; D606-K609 VanDerWaalsContact O-N 3.16Å; D606-K609 WeakPolarHBondContact OD2-CD 3.46Å; D606-K609 WeakPolarHBondContact OD2-CE 3.41Å; D606-K609 IonicContact OD2-NZ 3Å; D606-K609 PolarHBondContact OD2-NZ 3.13Å; Y607-K609 VanDerWaalsContact C-N 3.28Å; K609-L611 PolarHBondContact O-N 2.84Å
610	P	96.2	Very high	96.6	Very high	111 Å²	111	83.7 Å²	83.7	72%	0.721	43%	0.434	S	S	*	.			trans	-53.9	138.5	168.9	-25.2	35.2	0	0	0	111.7	E612 Q614	P610-E612 VanDerWaalsContact C-N 3.31Å; P610-Q614 PolarHBondContact O-NE2 3.25Å
611	L	95.9	Very high	96.6	Very high	84 Å²	84	83.9 Å²	83.9	44%	0.44	43%	0.43	S	S	.	.			trans	-76.5	-19.2	-177.7	-61.8	-179.5	0	0	0	113.2	Y605 Y607 K609 G613 Q614	Y605-L611 HydrophobicContact CG-CD2 4.09Å; Y607-L611 HydrophobicContact CD1-CD2 3.96Å; Y607-L611 HydrophobicContact CE1-CD1 4.14Å; Y607-L611 HydrophobicContact CE1-CD2 4.04Å; K609-L611 PolarHBondContact O-N 2.84Å; L611-G613 PolarHBondContact O-N 3.48Å; L611-Q614 WeakPolarHBondContact O-CB 3.46Å; L611-Q614 PolarHBondContact O-N 2.82Å
612	E	95.4	Very high	96.6	Very high	189 Å²	189	81.8 Å²	81.8	88%	0.883	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	125.4	-177.8	-167.2	168.5	-172.4	0	0	110.9	P610 Q614	P610-E612 VanDerWaalsContact C-N 3.31Å; E612-Q614 VanDerWaalsContact C-N 3.28Å; E612-Q614 PolarHBondContact O-N 2.74Å
613	G	94.4	Very high	96.6	Very high	86 Å²	86	81.4 Å²	81.4	89%	0.887	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-2.4	-177	0	0	0	0	0	115.6	L611	L611-G613 PolarHBondContact O-N 3.48Å
614	Q	96.9	Very high	96.6	Very high	52 Å²	52	81.9 Å²	81.9	24%	0.243	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-75.5	139.4	173.3	-65.1	-165.5	30.3	0	0	111.8	Y605 D606 P610 L611 E612	Y605-Q614 HydrophobicContact CD1-CB 3.94Å; Y605-Q614 HydrophobicContact CE1-CB 4.39Å; D606-Q614 PolarHBondContact O-NE2 2.95Å; P610-Q614 PolarHBondContact O-NE2 3.25Å; L611-Q614 WeakPolarHBondContact O-CB 3.46Å; L611-Q614 PolarHBondContact O-N 2.82Å; E612-Q614 VanDerWaalsContact C-N 3.28Å; E612-Q614 PolarHBondContact O-N 2.74Å
615	Q	96.3	Very high	96.6	Very high	178 Å²	178	81.8 Å²	81.8	83%	0.832	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-88.6	126.5	169.6	-171.6	175.1	6.2	0	0	109.9	K617	Q615-K617 PolarHBondContact O-N 3.11Å
616	K	97.1	Very high	96.6	Very high	116 Å²	116	78.7 Å²	78.7	50%	0.504	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-61.4	127.4	174.8	-167.1	171.4	171.6	163.7	0	110	E604 Y605	E604-K616 HydrophobicContact CB-CG 4.02Å; E604-K616 HydrophobicContact CG-CG 4.22Å; Y605-K616 HydrophobicContact CD1-CB 4.49Å; Y605-K616 HydrophobicContact CE1-CB 3.68Å; Y605-K616 HydrophobicContact CE1-CG 4.19Å; Y605-K616 HydrophobicContact CE2-CB 4.25Å; Y605-K616 HydrophobicContact CE2-CD 4.01Å; Y605-K616 HydrophobicContact CE2-CG 3.91Å; Y605-K616 WeakPolarHBondContact OH-CB 3.39Å
617	K	97.4	Very high	96.7	Very high	78 Å²	78	76.1 Å²	76.1	34%	0.339	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-65.6	138.2	172	-63.7	178.5	-171	163.8	0	109.7	E604 Q615 Q621 H622	E604-K617 PolarHBondContact O-N 3.35Å; Q615-K617 PolarHBondContact O-N 3.11Å; K617-Q621 HydrophobicContact CB-CB 4.37Å; K617-H622 HydrophobicContact CB-CB 4.41Å; K617-H622 HydrophobicContact CD-CB 4.39Å
618	P	97.1	Very high	96.7	Very high	60 Å²	60	74.1 Å²	74.1	39%	0.39	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-56.4	154.9	169.7	-23.8	33.3	0	0	0	112.2	E620 Q621 H622	P618-E620 PolarHBondContact O-N 2.88Å; P618-E620 VanDerWaalsContact O-N 3.08Å; P618-Q621 HydrophobicContact CB-CG 4.36Å; P618-Q621 HydrophobicContact CG-CG 4.39Å; P618-Q621 PolarHBondContact O-N 2.85Å; P618-H622 PolarHBondContact O-CD2 3.38Å
619	F	94.7	Very high	96.7	Very high	62 Å²	62	70.9 Å²	70.9	27%	0.272	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-55.7	-30.7	-176.4	-175.8	-111.8	0	0	0	113.3	Q621 K625 P644	F619-Q621 VanDerWaalsContact C-N 3.32Å; F619-Q621 PolarHBondContact O-N 2.82Å; F619-K625 HydrophobicContact CD2-CD 4.37Å; F619-K625 HydrophobicContact CE1-CD 4.19Å; F619-K625 HydrophobicContact CE2-CB 3.59Å; F619-K625 HydrophobicContact CE2-CD 3.9Å; F619-K625 HydrophobicContact CE2-CG 4.4Å; F619-K625 HydrophobicContact CZ-CB 3.77Å; F619-K625 HydrophobicContact CZ-CD 3.81Å; F619-K625 HydrophobicContact CZ-CG 4.37Å; F619-K625 PolarHBondContact O-NZ 2.82Å; F619-P644 HydrophobicContact CE2-CB 4.31Å; F619-P644 HydrophobicContact CE2-CG 3.95Å; F619-P644 HydrophobicContact CZ-CG 4.25Å
620	E	95.3	Very high	96.8	Very high	144 Å²	144	66.8 Å²	66.8	67%	0.673	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-75.1	-20.9	179.4	-59.1	70	-149.1	0	0	112.6	P618	P618-E620 PolarHBondContact O-N 2.88Å; P618-E620 VanDerWaalsContact O-N 3.08Å
621	Q	96.9	Very high	96.9	Very high	130 Å²	130	62.1 Å²	62.1	61%	0.607	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-103.6	1.6	-171.2	-61.2	-175.5	7.5	0	0	114.4	K617 P618 F619	K617-Q621 HydrophobicContact CB-CB 4.37Å; P618-Q621 HydrophobicContact CB-CG 4.36Å; P618-Q621 HydrophobicContact CG-CG 4.39Å; P618-Q621 PolarHBondContact O-N 2.85Å; F619-Q621 VanDerWaalsContact C-N 3.32Å; F619-Q621 PolarHBondContact O-N 2.82Å
622	H	98	Very high	96.9	Very high	12 Å²	12	61.4 Å²	61.4	6%	0.056	31%	0.311	C	S	.	.			trans	-130.7	170.3	171.6	72.8	85.2	0	0	0	111.4	I602 D603 K617 P618 R624 K625	I602-H622 HydrophobicContact CG2-CB 4.37Å; D603-H622 WeakPolarHBondContact O-CB 3.38Å; K617-H622 HydrophobicContact CB-CB 4.41Å; K617-H622 HydrophobicContact CD-CB 4.39Å; P618-H622 PolarHBondContact O-CD2 3.38Å; H622-R624 PolarHBondContact CE1-O 2.79Å; H622-R624 PolarHBondContact ND1-N 2.81Å; H622-K625 WeakPolarHBondContact O-CD 3.31Å; H622-K625 WeakPolarHBondContact O-CE 3.45Å; H622-K625 PolarHBondContact O-NZ 2.95Å
623	W	98.4	Very high	96.8	Very high	34 Å²	34	54.9 Å²	54.9	13%	0.129	29%	0.285	C	S	.	.			trans	-119.1	-1.7	-171.8	-73.6	111.8	0	0	0	114.9	Q585 R586 K587 E588 I602 K625 Y642	Q585-W623 HydrophobicContact CG-CH2 4.24Å; Q585-W623 WeakPolarHBondContact O-CH2 3.12Å; Q585-W623 VanDerWaalsContact O-CZ2 3.27Å; Q585-W623 WeakPolarHBondContact O-CZ2 3.25Å; R586-W623 HydrophobicContact CB-CE3 4.43Å; R586-W623 HydrophobicContact CB-CZ3 4.29Å; R586-W623 HydrophobicContact CG-CD2 4.35Å; R586-W623 HydrophobicContact CG-CE3 4.05Å; R586-W623 HydrophobicContact CG-CZ3 4.42Å; R586-W623 PolarHBondContact NH1-O 2.76Å; K587-W623 HydrophobicContact CB-CZ2 4.16Å; K587-W623 PolarHBondContact O-NE1 2.81Å; E588-W623 HydrophobicContact CB-CB 4.15Å; E588-W623 HydrophobicContact CB-CG 4.09Å; E588-W623 HydrophobicContact CG-CB 3.57Å; E588-W623 HydrophobicContact CG-CG 3.81Å; E588-W623 WeakPolarHBondContact OE1-CB 3.04Å; E588-W623 VanDerWaalsContact OE2-CB 3.31Å; E588-W623 WeakPolarHBondContact OE2-CB 3.26Å; I602-W623 PolarHBondContact O-N 2.67Å; W623-K625 PolarHBondContact O-N 3.43Å; W623-Y642 HydrophobicContact CE3-CE1 4.28Å; W623-Y642 AromaticContact CZ3-CE1 3.6Å; W623-Y642 HydrophobicContact CZ3-CE1 3.6Å; W623-Y642 AromaticContact CZ3-CZ 3.62Å; W623-Y642 WeakPolarHBondContact CZ3-OH 3.43Å
624	R	98.3	Very high	96.7	Very high	16 Å²	16	59.5 Å²	59.5	6%	0.06	28%	0.281	C	S	.	.			trans	-67.5	72.7	165.9	-158.5	176.2	78.8	88.5	-3.6	112.1	W131 I602 D603 E604 H622 V645 D647	W131-R624 WeakPolarHBondContact O-CG 3.31Å; I602-R624 PolarHBondContact O-N 2.75Å; D603-R624 HydrophobicContact CB-CB 4.43Å; E604-R624 IonicContact OE1-CZ 4Å; E604-R624 IonicContact OE1-NE 3.2Å; E604-R624 PolarHBondContact OE1-NE 2.72Å; E604-R624 IonicContact OE1-NH2 3.76Å; E604-R624 PolarHBondContact OE1-NH2 3.19Å; E604-R624 IonicContact OE2-CZ 3.59Å; E604-R624 IonicContact OE2-NE 3.94Å; E604-R624 PolarHBondContact OE2-NE 3.48Å; E604-R624 IonicContact OE2-NH2 3.85Å; H622-R624 PolarHBondContact CE1-O 2.79Å; H622-R624 PolarHBondContact ND1-N 2.81Å; R624-V645 HydrophobicContact CG-CG2 4.29Å; R624-D647 IonicContact CZ-OD1 3.97Å; R624-D647 IonicContact CZ-OD2 3.85Å; R624-D647 IonicContact NH1-OD1 2.79Å; R624-D647 PolarHBondContact NH1-OD1 2.9Å; R624-D647 IonicContact NH1-OD2 3.32Å; R624-D647 PolarHBondContact NH1-OD2 3.37Å; R624-D647 IonicContact NH2-OD1 3.48Å; R624-D647 IonicContact NH2-OD2 2.9Å; R624-D647 PolarHBondContact NH2-OD2 3Å
625	K	97.6	Very high	96.5	Very high	6 Å²	6	60.1 Å²	60.1	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	145.7	-175.7	62.4	-165.8	-177.4	-161.8	0	108.8	R586 F619 H622 W623 Y642 R643	R586-K625 PolarHBondContact NH2-O 3.06Å; F619-K625 HydrophobicContact CD2-CD 4.37Å; F619-K625 HydrophobicContact CE1-CD 4.19Å; F619-K625 HydrophobicContact CE2-CB 3.59Å; F619-K625 HydrophobicContact CE2-CD 3.9Å; F619-K625 HydrophobicContact CE2-CG 4.4Å; F619-K625 HydrophobicContact CZ-CB 3.77Å; F619-K625 HydrophobicContact CZ-CD 3.81Å; F619-K625 HydrophobicContact CZ-CG 4.37Å; F619-K625 PolarHBondContact O-NZ 2.82Å; H622-K625 WeakPolarHBondContact O-CD 3.31Å; H622-K625 WeakPolarHBondContact O-CE 3.45Å; H622-K625 PolarHBondContact O-NZ 2.95Å; W623-K625 PolarHBondContact O-N 3.43Å; K625-Y642 HydrophobicContact CD-CD1 4.01Å; K625-Y642 HydrophobicContact CD-CD2 4.48Å; K625-Y642 HydrophobicContact CD-CG 3.79Å; K625-Y642 HydrophobicContact CG-CD1 3.81Å; K625-Y642 HydrophobicContact CG-CG 4.04Å; K625-R643 CarbonylContact C-O 3.59Å; K625-R643 WeakPolarHBondContact CA-O 3.47Å; K625-R643 WeakPolarHBondContact CB-O 3.41Å
626	H	98	Very high	96.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	140.1	178.9	-60.9	-77	0	0	0	111.1	L132 D134 Q287 D288 Y642 R643 P644	L132-H626 PolarHBondContact O-CE1 2.9Å; D134-H626 IonicContact OD1-NE2 3.32Å; D134-H626 PolarHBondContact OD1-NE2 3.33Å; D134-H626 IonicContact OD2-CE1 2.78Å; D134-H626 IonicContact OD2-NE2 3.47Å; D134-H626 PolarHBondContact OD2-NE2 3.36Å; Q287-H626 HydrophobicContact CG-CB 3.78Å; Q287-H626 PolarHBondContact NE2-ND1 3.47Å; Q287-H626 VanDerWaalsContact NE2-ND1 3.13Å; D288-H626 WeakPolarHBondContact OD1-CA 3.34Å; D288-H626 WeakPolarHBondContact OD1-CB 3.44Å; D288-H626 IonicContact OD1-ND1 3.03Å; D288-H626 IonicContact OD2-CE1 3.65Å; D288-H626 IonicContact OD2-CG 3.45Å; D288-H626 IonicContact OD2-ND1 2.75Å; D288-H626 PolarHBondContact OD2-ND1 2.96Å; H626-Y642 WeakPolarHBondContact O-CA 3.39Å; H626-Y642 WeakPolarHBondContact O-CD1 3.42Å; H626-R643 HydrophobicContact CB-CG 3.78Å; H626-R643 PolarHBondContact CD2-NH1 3.02Å; H626-R643 VanDerWaalsContact CD2-NH1 3.28Å; H626-R643 PolarHBondContact N-O 3.42Å; H626-R643 PolarHBondContact O-N 2.62Å; H626-R643 VanDerWaalsContact O-N 3.15Å; H626-P644 PolarHBondContact CD2-O 3.39Å
627	T	97.9	Very high	96.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	132.8	173.7	-63.6	0	0	0	0	109.6	Q287 D288 E290 R586 L640 Y642	Q287-T627 CarbonylContact C-O 3.48Å; Q287-T627 WeakPolarHBondContact CA-O 3.34Å; D288-T627 PolarHBondContact N-O 3.04Å; D288-T627 PolarHBondContact OD1-N 3.11Å; E290-T627 VanDerWaalsContact OE1-CB 3.24Å; E290-T627 WeakPolarHBondContact OE1-CB 3.4Å; E290-T627 PolarHBondContact OE1-OG1 2.88Å; R586-T627 PolarHBondContact NH2-OG1 3.24Å; T627-L640 HydrophobicContact CG2-CD2 3.94Å; T627-Y642 HydrophobicContact CG2-CE1 4.42Å
628	M	96.6	Very high	96.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	108.5	-176.3	-59.7	-65	-48.6	0	0	108.7	P285 C286 Q287 P413 I423 L640 R641 R643	P285-M628 HydrophobicContact CB-CE 3.67Å; P285-M628 HydrophobicContact CG-CE 3.67Å; C286-M628 CarbonylContact O-C 3.57Å; C286-M628 WeakPolarHBondContact O-CA 3.5Å; Q287-M628 HydrophobicContact CB-CE 4.14Å; Q287-M628 HydrophobicContact CB-SD 3.66Å; Q287-M628 HydrophobicContact CG-SD 3.53Å; Q287-M628 VanDerWaalsContact CG-SD 3.53Å; Q287-M628 PolarHBondContact OE1-SD 2.84Å; Q287-M628 VanDerWaalsContact OE1-SD 3.41Å; P413-M628 HydrophobicContact CB-CE 4.04Å; P413-M628 HydrophobicContact CG-CE 3.69Å; I423-M628 HydrophobicContact CD1-CB 3.65Å; I423-M628 HydrophobicContact CD1-CE 3.2Å; I423-M628 HydrophobicContact CD1-CG 3.11Å; I423-M628 HydrophobicContact CD1-SD 3.51Å; I423-M628 VanDerWaalsContact CD1-SD 3.51Å; I423-M628 HydrophobicContact CG1-CE 3.96Å; M628-L640 CarbonylContact O-C 3.54Å; M628-L640 WeakPolarHBondContact O-CA 3.43Å; M628-R641 HydrophobicContact CB-CB 4.16Å; M628-R641 WeakPolarHBondContact CB-O 3.45Å; M628-R641 PolarHBondContact N-O 3.38Å; M628-R641 PolarHBondContact O-N 3.06Å; M628-R643 HydrophobicContact CG-CG 4.22Å; M628-R643 HydrophobicContact SD-CG 4.06Å
629	S	97.3	Very high	96.5	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.3	-168.9	57.2	0	0	0	0	111.6	P285 C286 Q578	P285-S629 VanDerWaalsContact CA-O 3.28Å; P285-S629 WeakPolarHBondContact CA-O 3.33Å; C286-S629 PolarHBondContact N-O 2.63Å; C286-S629 PolarHBondContact O-N 3.22Å; C286-S629 PolarHBondContact O-OG 3.24Å; Q578-S629 PolarHBondContact NE2-O 3.09Å; Q578-S629 PolarHBondContact NE2-OG 2.94Å
630	Y	97	Very high	96.6	Very high	43 Å²	43	50.9 Å²	50.9	17%	0.169	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149	173.6	-60.3	-101.7	0	0	0	108.3	P285 V638 T639 R641	P285-Y630 HydrophobicContact CB-CD1 4.2Å; P285-Y630 HydrophobicContact CB-CD2 4.21Å; P285-Y630 HydrophobicContact CB-CE1 3.76Å; P285-Y630 HydrophobicContact CB-CE2 3.75Å; P285-Y630 HydrophobicContact CB-CG 4.42Å; P285-Y630 HydrophobicContact CG-CE1 3.93Å; P285-Y630 HydrophobicContact CG-CE2 4.37Å; P285-Y630 WeakPolarHBondContact CG-OH 3.14Å; Y630-V638 CarbonylContact O-C 3.54Å; Y630-V638 VanDerWaalsContact O-CA 3.31Å; Y630-V638 WeakPolarHBondContact O-CA 3.22Å; Y630-T639 PolarHBondContact N-O 3.18Å; Y630-T639 PolarHBondContact O-N 3.32Å; Y630-R641 HydrophobicContact CE2-CG 4.37Å
631	V	97.4	Very high	96.5	Very high	12 Å²	12	49.7 Å²	49.7	7%	0.073	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.7	174	-168.6	0	0	0	0	108.3	T280 L574 V577 Q578 P633 K637 V638	T280-V631 HydrophobicContact CG2-CB 3.59Å; T280-V631 HydrophobicContact CG2-CG2 3.73Å; L574-V631 HydrophobicContact CD2-CB 4.17Å; L574-V631 HydrophobicContact CD2-CG1 3.83Å; V577-V631 HydrophobicContact CG2-CG1 4.17Å; V577-V631 HydrophobicContact CG2-CG2 4.11Å; Q578-V631 VanDerWaalsContact CD-CG2 3.42Å; Q578-V631 HydrophobicContact CG-CG2 3.18Å; V631-P633 VanDerWaalsContact O-CD 3.25Å; V631-P633 WeakPolarHBondContact O-CD 3.39Å; V631-K637 WeakPolarHBondContact CA-O 3.41Å; V631-V638 HydrophobicContact CG2-CG2 4.31Å
632	D	96.6	Very high	96.4	Very high	70 Å²	70	45.4 Å²	45.4	37%	0.374	22%	0.22	S	C	.	.			trans	-78.6	108.9	158.6	169	9	0	0	0	108.3	K634 T635 G636 K637	D632-K634 PolarHBondContact O-N 2.79Å; D632-K634 VanDerWaalsContact O-N 3.08Å; D632-K634 WeakPolarHBondContact OD1-CB 3.35Å; D632-K634 PolarHBondContact OD1-N 2.91Å; D632-T635 WeakPolarHBondContact CB-OG1 3.12Å; D632-T635 VanDerWaalsContact CG-OG1 3.23Å; D632-T635 PolarHBondContact O-N 3.31Å; D632-T635 VanDerWaalsContact OD2-CG2 3.28Å; D632-T635 WeakPolarHBondContact OD2-CG2 3.24Å; D632-T635 PolarHBondContact OD2-OG1 3.48Å; D632-G636 WeakPolarHBondContact O-CA 3.37Å; D632-G636 PolarHBondContact O-N 2.92Å; D632-K637 PolarHBondContact N-O 3.39Å
633	P	93.4	Very high	96.1	Very high	51 Å²	51	45 Å²	45	33%	0.331	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.7	-173.7	-22	34.7	0	0	0	113.7	R281 Y544 V631	R281-P633 HydrophobicContact CG-CB 4.39Å; R281-P633 HydrophobicContact CG-CG 4.2Å; Y544-P633 PolarHBondContact OH-O 2.75Å; V631-P633 VanDerWaalsContact O-CD 3.25Å; V631-P633 WeakPolarHBondContact O-CD 3.39Å
634	K	91.8	Very high	96	Very high	184 Å²	184	46.7 Å²	46.7	80%	0.8	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-42	178.5	-65.6	-177.6	179.5	178.6	0	111.8	D632	D632-K634 PolarHBondContact O-N 2.79Å; D632-K634 VanDerWaalsContact O-N 3.08Å; D632-K634 WeakPolarHBondContact OD1-CB 3.35Å; D632-K634 PolarHBondContact OD1-N 2.91Å
635	T	93.9	Very high	95.9	Very high	65 Å²	65	46.6 Å²	46.6	40%	0.399	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-18.2	-174.3	60.6	0	0	0	0	113.5	Q545 D632 K637	Q545-T635 PolarHBondContact NE2-O 3.16Å; D632-T635 WeakPolarHBondContact CB-OG1 3.12Å; D632-T635 VanDerWaalsContact CG-OG1 3.23Å; D632-T635 PolarHBondContact O-N 3.31Å; D632-T635 VanDerWaalsContact OD2-CG2 3.28Å; D632-T635 WeakPolarHBondContact OD2-CG2 3.24Å; D632-T635 PolarHBondContact OD2-OG1 3.48Å; T635-K637 PolarHBondContact O-N 3.07Å; T635-K637 VanDerWaalsContact OG1-CB 3.31Å; T635-K637 WeakPolarHBondContact OG1-CB 3.42Å; T635-K637 PolarHBondContact OG1-N 3.16Å
636	G	94.3	Very high	95.8	Very high	11 Å²	11	48 Å²	48	11%	0.113	24%	0.242	C	C	.	.			trans	73.3	6.1	-170.1	0	0	0	0	0	113.4	Y544 D632 V638	Y544-G636 VanDerWaalsContact CE1-N 3.34Å; D632-G636 WeakPolarHBondContact O-CA 3.37Å; D632-G636 PolarHBondContact O-N 2.92Å; G636-V638 PolarHBondContact O-N 2.84Å
637	K	97.2	Very high	95.7	Very high	148 Å²	148	50.2 Å²	50.2	64%	0.643	25%	0.254	S	S	*	.			trans	-69.1	124.1	-177.5	-176.2	-180	178.7	-179	0	110.7	V631 D632 T635	V631-K637 WeakPolarHBondContact CA-O 3.41Å; D632-K637 PolarHBondContact N-O 3.39Å; T635-K637 PolarHBondContact O-N 3.07Å; T635-K637 VanDerWaalsContact OG1-CB 3.31Å; T635-K637 WeakPolarHBondContact OG1-CB 3.42Å; T635-K637 PolarHBondContact OG1-N 3.16Å
638	V	98.1	Very high	95.6	Very high	26 Å²	26	53.6 Å²	53.6	16%	0.158	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.4	178.3	-175.2	0	0	0	0	110.9	V577 N581 Y630 V631 G636 L640	V577-V638 HydrophobicContact CB-CG2 3.97Å; V577-V638 HydrophobicContact CG2-CG2 3.95Å; N581-V638 HydrophobicContact CB-CB 4Å; N581-V638 HydrophobicContact CB-CG1 4Å; N581-V638 HydrophobicContact CB-CG2 4.09Å; Y630-V638 CarbonylContact O-C 3.54Å; Y630-V638 VanDerWaalsContact O-CA 3.31Å; Y630-V638 WeakPolarHBondContact O-CA 3.22Å; V631-V638 HydrophobicContact CG2-CG2 4.31Å; G636-V638 PolarHBondContact O-N 2.84Å; V638-L640 HydrophobicContact CG1-CD2 3.72Å; V638-L640 HydrophobicContact CG1-CG 4.21Å
639	T	97.2	Very high	95.5	Very high	71 Å²	71	54.3 Å²	54.3	44%	0.436	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.6	168.4	-58.8	0	0	0	0	109.3	Y630	Y630-T639 PolarHBondContact N-O 3.18Å; Y630-T639 PolarHBondContact O-N 3.32Å
640	L	96.6	Very high	95.3	Very high	43 Å²	43	57.4 Å²	57.4	23%	0.225	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.4	-178.2	-57.9	178.3	0	0	0	111.1	Q585 T627 M628 V638	Q585-L640 HydrophobicContact CB-CD1 3.51Å; Q585-L640 HydrophobicContact CG-CD1 3.76Å; T627-L640 HydrophobicContact CG2-CD2 3.94Å; M628-L640 CarbonylContact O-C 3.54Å; M628-L640 WeakPolarHBondContact O-CA 3.43Å; V638-L640 HydrophobicContact CG1-CD2 3.72Å; V638-L640 HydrophobicContact CG1-CG 4.21Å
641	R	94.4	Very high	95.2	Very high	120 Å²	120	58.9 Å²	58.9	45%	0.453	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	177.6	168	-64.6	-173.7	178	-173.1	-1.1	108.6	M628 Y630	M628-R641 HydrophobicContact CB-CB 4.16Å; M628-R641 WeakPolarHBondContact CB-O 3.45Å; M628-R641 PolarHBondContact N-O 3.38Å; M628-R641 PolarHBondContact O-N 3.06Å; Y630-R641 HydrophobicContact CE2-CG 4.37Å
642	Y	94.1	Very high	94.9	Very high	40 Å²	40	62.4 Å²	62.4	16%	0.157	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	147.5	178.2	-56.1	-82.5	0	0	0	111.5	H425 Q585 W623 K625 H626 T627	H425-Y642 PolarHBondContact NE2-O 3.3Å; Q585-Y642 WeakPolarHBondContact CG-OH 3.49Å; W623-Y642 HydrophobicContact CE3-CE1 4.28Å; W623-Y642 AromaticContact CZ3-CE1 3.6Å; W623-Y642 HydrophobicContact CZ3-CE1 3.6Å; W623-Y642 AromaticContact CZ3-CZ 3.62Å; W623-Y642 WeakPolarHBondContact CZ3-OH 3.43Å; K625-Y642 HydrophobicContact CD-CD1 4.01Å; K625-Y642 HydrophobicContact CD-CD2 4.48Å; K625-Y642 HydrophobicContact CD-CG 3.79Å; K625-Y642 HydrophobicContact CG-CD1 3.81Å; K625-Y642 HydrophobicContact CG-CG 4.04Å; H626-Y642 WeakPolarHBondContact O-CA 3.39Å; H626-Y642 WeakPolarHBondContact O-CD1 3.42Å; T627-Y642 HydrophobicContact CG2-CE1 4.42Å
643	R	92.8	Very high	94.7	Very high	3 Å²	3	68.1 Å²	68.1	1%	0.011	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	151.5	167	67.3	168.8	-84.5	-93.7	-8	111.3	D134 I423 D430 K625 H626 M628 I646	D134-R643 IonicContact OD1-CZ 3.31Å; D134-R643 IonicContact OD1-NH1 3.07Å; D134-R643 IonicContact OD1-NH2 2.81Å; D134-R643 PolarHBondContact OD1-NH2 3.38Å; D134-R643 IonicContact OD2-NH1 2.75Å; D134-R643 PolarHBondContact OD2-NH1 3.19Å; D134-R643 IonicContact OD2-NH2 3.73Å; I423-R643 HydrophobicContact CD1-CB 4.11Å; I423-R643 HydrophobicContact CD1-CG 4.33Å; D430-R643 IonicContact OD1-NE 3.59Å; D430-R643 IonicContact OD2-NE 3.83Å; D430-R643 PolarHBondContact OD2-NE 3.37Å; D430-R643 IonicContact OD2-NH2 3.96Å; K625-R643 CarbonylContact C-O 3.59Å; K625-R643 WeakPolarHBondContact CA-O 3.47Å; K625-R643 WeakPolarHBondContact CB-O 3.41Å; H626-R643 HydrophobicContact CB-CG 3.78Å; H626-R643 PolarHBondContact CD2-NH1 3.02Å; H626-R643 VanDerWaalsContact CD2-NH1 3.28Å; H626-R643 PolarHBondContact N-O 3.42Å; H626-R643 PolarHBondContact O-N 2.62Å; H626-R643 VanDerWaalsContact O-N 3.15Å; M628-R643 HydrophobicContact CG-CG 4.22Å; M628-R643 HydrophobicContact SD-CG 4.06Å; R643-I646 VanDerWaalsContact NH2-CD1 3.3Å
644	P	94.8	Very high	94.7	Very high	69 Å²	69	68.4 Å²	68.4	45%	0.448	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	154.4	173.8	-19.8	32.6	0	0	0	112.5	F619 H626	F619-P644 HydrophobicContact CE2-CB 4.31Å; F619-P644 HydrophobicContact CE2-CG 3.95Å; F619-P644 HydrophobicContact CZ-CG 4.25Å; H626-P644 PolarHBondContact CD2-O 3.39Å
645	V	96.4	Very high	94.8	Very high	14 Å²	14	60 Å²	60	9%	0.085	31%	0.312	C	S	.	.			trans	-76.1	143.8	165.5	-177.5	0	0	0	0	108.9	L132 G133 R624	L132-V645 HydrophobicContact CD1-CG2 3.86Å; G133-V645 WeakPolarHBondContact O-CG1 3.41Å; R624-V645 HydrophobicContact CG-CG2 4.29Å
646	I	95.9	Very high	94.8	Very high	37 Å²	37	59.7 Å²	59.7	19%	0.19	32%	0.316	C	S	.	.			trans	-88	106.4	172.9	-61.1	166.4	0	0	0	109	D134 Q135 D136 R643 S648	D134-I646 CarbonylContact C-O 3.57Å; D134-I646 WeakPolarHBondContact CA-O 3.34Å; D134-I646 HydrophobicContact CB-CB 4.17Å; D134-I646 WeakPolarHBondContact OD1-CB 3.3Å; D134-I646 PolarHBondContact OD1-N 2.99Å; Q135-I646 PolarHBondContact N-O 3.07Å; D136-I646 HydrophobicContact CB-CG2 4.33Å; R643-I646 VanDerWaalsContact NH2-CD1 3.3Å; I646-S648 WeakPolarHBondContact CG2-OG 3.27Å
647	D	96.1	Very high	94.8	Very high	46 Å²	46	63.3 Å²	63.3	25%	0.246	33%	0.33	C	S	.	.			trans	-84.8	-23	177.9	-68.5	-45.5	0	0	0	113.6	Q135 R624 S649 H657	Q135-D647 WeakPolarHBondContact CB-O 3.45Å; R624-D647 IonicContact CZ-OD1 3.97Å; R624-D647 IonicContact CZ-OD2 3.85Å; R624-D647 IonicContact NH1-OD1 2.79Å; R624-D647 PolarHBondContact NH1-OD1 2.9Å; R624-D647 IonicContact NH1-OD2 3.32Å; R624-D647 PolarHBondContact NH1-OD2 3.37Å; R624-D647 IonicContact NH2-OD1 3.48Å; R624-D647 IonicContact NH2-OD2 2.9Å; R624-D647 PolarHBondContact NH2-OD2 3Å; D647-S649 PolarHBondContact O-N 3.37Å; D647-H657 WeakPolarHBondContact O-CB 3.4Å
648	S	94.8	Very high	94.8	Very high	71 Å²	71	57.2 Å²	57.2	50%	0.497	31%	0.305	S	S	.	.			trans	-68	132	-179	52.3	0	0	0	0	110.7	D136 I646	D136-S648 WeakPolarHBondContact CB-O 3.1Å; D136-S648 PolarHBondContact N-O 3.13Å; I646-S648 WeakPolarHBondContact CG2-OG 3.27Å
649	S	94.4	Very high	94.8	Very high	14 Å²	14	59.3 Å²	59.3	10%	0.098	32%	0.319	C	S	.	.			trans	-78.9	172.4	168.2	99.9	0	0	0	0	110.7	H139 D647 N651 C655	H139-S649 WeakPolarHBondContact ND1-CB 3.42Å; H139-S649 PolarHBondContact ND1-OG 3.4Å; D647-S649 PolarHBondContact O-N 3.37Å; S649-N651 PolarHBondContact O-N 3.27Å; S649-N651 VanDerWaalsContact OG-C 3.26Å; S649-N651 PolarHBondContact OG-N 2.81Å; S649-N651 PolarHBondContact OG-O 2.95Å; S649-C655 VanDerWaalsContact CB-O 3.27Å; S649-C655 WeakPolarHBondContact CB-O 3.3Å; S649-C655 PolarHBondContact OG-O 2.82Å
650	L	95	Very high	94.8	Very high	68 Å²	68	56.3 Å²	56.3	36%	0.356	30%	0.301	S	S	.	.	S	Bend	trans	-65.5	-27.2	175.4	-65.1	179.6	0	0	0	113.4	D136 H139 Y140 Y416	D136-L650 HydrophobicContact CB-CD2 3.98Å; D136-L650 HydrophobicContact CB-CG 4.42Å; H139-L650 HydrophobicContact CB-CG 4.47Å; H139-L650 PolarHBondContact ND1-N 3.5Å; Y140-L650 HydrophobicContact CD2-CD1 4.03Å; Y140-L650 HydrophobicContact CG-CD1 4.48Å; Y416-L650 HydrophobicContact CD1-CD2 4.05Å; Y416-L650 HydrophobicContact CD2-CD2 4.19Å; Y416-L650 HydrophobicContact CE1-CD2 3.83Å; Y416-L650 HydrophobicContact CE2-CD2 3.98Å; Y416-L650 HydrophobicContact CG-CD2 4.23Å
651	N	94.2	Very high	94.8	Very high	74 Å²	74	56.3 Å²	56.3	40%	0.396	31%	0.307	S	S	.	.			trans	-153.5	102.9	178.7	-177.7	-7.4	0	0	0	110.4	S649 Q653 D654 C655	S649-N651 PolarHBondContact O-N 3.27Å; S649-N651 VanDerWaalsContact OG-C 3.26Å; S649-N651 PolarHBondContact OG-N 2.81Å; S649-N651 PolarHBondContact OG-O 2.95Å; N651-Q653 PolarHBondContact O-N 3.39Å; N651-Q653 WeakPolarHBondContact OD1-CB 3.03Å; N651-Q653 PolarHBondContact OD1-N 3.34Å; N651-D654 HydrophobicContact CB-CB 4.23Å; N651-D654 PolarHBondContact O-N 2.87Å; N651-D654 VanDerWaalsContact O-N 3.15Å; N651-C655 PolarHBondContact O-N 2.93Å
652	E	91.2	Very high	94.9	Very high	85 Å²	85	56.2 Å²	56.2	40%	0.397	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.3	-177.6	-163.5	66.7	-165.8	0	0	113.3	A656 H657	E652-A656 WeakPolarHBondContact OE1-CA 3.04Å; E652-H657 IonicContact OE1-CE1 2.74Å; E652-H657 IonicContact OE1-CG 3.31Å; E652-H657 PolarHBondContact OE1-N 3.16Å; E652-H657 IonicContact OE1-ND1 2.84Å; E652-H657 PolarHBondContact OE1-ND1 3.39Å; E652-H657 PolarHBondContact OE2-N 3.21Å
653	Q	91.7	Very high	95.1	Very high	191 Å²	191	56.1 Å²	56.1	89%	0.893	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-31.2	178.3	-63.4	-178.9	-1.6	0	0	112.1	N651	N651-Q653 PolarHBondContact O-N 3.39Å; N651-Q653 WeakPolarHBondContact OD1-CB 3.03Å; N651-Q653 PolarHBondContact OD1-N 3.34Å
654	D	93.2	Very high	95	Very high	57 Å²	57	59.7 Å²	59.7	31%	0.305	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-35.7	-178.6	-171.6	30.9	0	0	0	112.4	R119 N651	R119-D654 IonicContact CZ-OD1 3.56Å; R119-D654 PolarHBondContact NE-O 2.84Å; R119-D654 IonicContact NE-OD1 2.71Å; R119-D654 IonicContact NH2-OD1 3.98Å; R119-D654 PolarHBondContact NH2-OD1 3.03Å; R119-D654 IonicContact NH2-OD2 3.83Å; N651-D654 HydrophobicContact CB-CB 4.23Å; N651-D654 PolarHBondContact O-N 2.87Å; N651-D654 VanDerWaalsContact O-N 3.15Å
655	C	95.1	Very high	94.8	Very high	6 Å²	6	57.7 Å²	57.7	4%	0.041	32%	0.323	C	S	.	.	S	Bend	trans	-145.1	100.3	176.8	-171.9	0	0	0	0	110	W118 F122 S649 N651	W118-C655 HydrophobicContact CH2-CB 3.59Å; W118-C655 HydrophobicContact CZ2-CB 4.49Å; W118-C655 HydrophobicContact CZ3-CB 4.14Å; F122-C655 WeakPolarHBondContact CD1-SG 3.44Å; F122-C655 WeakPolarHBondContact CE1-SG 3.29Å; S649-C655 VanDerWaalsContact CB-O 3.27Å; S649-C655 WeakPolarHBondContact CB-O 3.3Å; S649-C655 PolarHBondContact OG-O 2.82Å; N651-C655 PolarHBondContact O-N 2.93Å
656	A	93.9	Very high	94.7	Very high	59 Å²	59	59.9 Å²	59.9	49%	0.488	33%	0.334	S	S	.	.			trans	-65.3	149.2	178.2	0	0	0	0	0	111.8	E652	E652-A656 WeakPolarHBondContact OE1-CA 3.04Å
657	H	93.7	Very high	94.6	Very high	87 Å²	87	61.1 Å²	61.1	40%	0.403	34%	0.342	S	S	.	.			trans	-57.9	143.7	173	76.6	-77.5	0	0	0	111	D647 E652 P659	D647-H657 WeakPolarHBondContact O-CB 3.4Å; E652-H657 IonicContact OE1-CE1 2.74Å; E652-H657 IonicContact OE1-CG 3.31Å; E652-H657 PolarHBondContact OE1-N 3.16Å; E652-H657 IonicContact OE1-ND1 2.84Å; E652-H657 PolarHBondContact OE1-ND1 3.39Å; E652-H657 PolarHBondContact OE2-N 3.21Å; H657-P659 WeakPolarHBondContact O-CD 3.35Å
658	V	97.6	Very high	94.5	Very high	20 Å²	20	61.9 Å²	61.9	12%	0.121	35%	0.347	C	S	.	.			trans	-97.2	110.5	173	-177.4	0	0	0	0	108.3	F122 Y123 V126 Q135	F122-V658 HydrophobicContact CD1-CG2 4.28Å; F122-V658 HydrophobicContact CE1-CG2 3.78Å; Y123-V658 HydrophobicContact CD2-CG1 3.94Å; Y123-V658 HydrophobicContact CD2-CG2 4.05Å; Y123-V658 HydrophobicContact CE2-CG1 4.03Å; V126-V658 HydrophobicContact CB-CB 4.46Å; V126-V658 HydrophobicContact CG1-CB 4.01Å; V126-V658 HydrophobicContact CG1-CG1 4.41Å; Q135-V658 PolarHBondContact NE2-O 3.32Å
659	P	97.1	Very high	94.5	Very high	70 Å²	70	61.4 Å²	61.4	46%	0.455	34%	0.339	S	S	.	.			trans	-67.3	154	179.1	28	-34.9	0	0	0	111.1	W131 H657	W131-P659 PolarHBondContact NE1-O 2.99Å; H657-P659 WeakPolarHBondContact O-CD 3.35Å
660	P	97.9	Very high	94.5	Very high	9 Å²	9	64.3 Å²	64.3	6%	0.058	35%	0.354	C	S	.	.			trans	-53.2	139.9	171.2	-24.7	33.7	0	0	0	112.7	W131 Y607	W131-P660 HydrophobicContact CB-CB 4.34Å; W131-P660 HydrophobicContact CB-CG 4.14Å; W131-P660 HydrophobicContact CD2-CB 4.2Å; W131-P660 HydrophobicContact CG-CB 4Å; W131-P660 HydrophobicContact CG-CG 4.07Å; Y607-P660 HydrophobicContact CD1-CB 4.07Å; Y607-P660 WeakPolarHBondContact CD1-O 3.36Å; Y607-P660 HydrophobicContact CD2-CB 3.62Å; Y607-P660 HydrophobicContact CD2-CG 4.29Å; Y607-P660 HydrophobicContact CE1-CB 4.08Å; Y607-P660 HydrophobicContact CE1-CG 4.21Å; Y607-P660 HydrophobicContact CE2-CB 3.63Å; Y607-P660 HydrophobicContact CE2-CG 3.76Å; Y607-P660 HydrophobicContact CG-CB 3.84Å
661	A	97.1	Very high	94.5	Very high	42 Å²	42	64.1 Å²	64.1	35%	0.347	35%	0.353	S	S	.	.			trans	-143.5	173.6	177.2	0	0	0	0	0	110.2	W131 R601 R663	W131-A661 HydrophobicContact CH2-CB 3.95Å; W131-A661 WeakPolarHBondContact CH2-O 3.35Å; W131-A661 HydrophobicContact CZ2-CB 3.76Å; W131-A661 WeakPolarHBondContact CZ3-O 3.39Å; R601-A661 PolarHBondContact NH1-O 2.71Å; R601-A661 PolarHBondContact NH2-O 2.98Å; A661-R663 PolarHBondContact O-N 2.9Å
662	I	96.8	Very high	94.5	Very high	118 Å²	118	63.4 Å²	63.4	61%	0.605	35%	0.35	S	S	*	.			trans	-62.8	132.9	167.2	-61.7	174.7	0	0	0	108.6
663	R	96.4	Very high	94.8	Very high	38 Å²	38	61.7 Å²	61.7	14%	0.143	35%	0.347	C	S	.	.			trans	-107.7	107.9	178	173.7	179.6	-174.4	-90.1	8.7	111.1	K127 G128 W131 S338 D340 N451 A661 Y665	K127-R663 HydrophobicContact CG-CG 4.38Å; K127-R663 VanDerWaalsContact O-CD 3.23Å; K127-R663 WeakPolarHBondContact O-CD 3.44Å; K127-R663 PolarHBondContact O-NE 3.15Å; G128-R663 PolarHBondContact O-NH2 3.04Å; W131-R663 HydrophobicContact CH2-CB 4Å; W131-R663 HydrophobicContact CZ3-CB 3.69Å; S338-R663 VanDerWaalsContact CB-NH2 3.28Å; S338-R663 PolarHBondContact OG-NH2 2.75Å; S338-R663 VanDerWaalsContact OG-NH2 3.1Å; D340-R663 IonicContact OD1-CZ 2.67Å; D340-R663 IonicContact OD1-NH1 2.75Å; D340-R663 PolarHBondContact OD1-NH1 3.19Å; D340-R663 IonicContact OD1-NH2 3.33Å; D340-R663 PolarHBondContact OD1-NH2 3.11Å; D340-R663 IonicContact OD2-CZ 3.17Å; D340-R663 IonicContact OD2-NH1 3.48Å; D340-R663 PolarHBondContact OD2-NH1 3.24Å; D340-R663 IonicContact OD2-NH2 3.75Å; N451-R663 PolarHBondContact ND2-NH2 2.74Å; A661-R663 PolarHBondContact O-N 2.9Å; R663-Y665 HydrophobicContact CG-CD2 4.48Å; R663-Y665 HydrophobicContact CG-CE2 3.8Å
664	S	92.6	Very high	95	Very high	78 Å²	78	50.9 Å²	50.9	55%	0.545	30%	0.301	S	S	.	.			trans	-131.6	158.6	170.6	56	0	0	0	0	110.5	K127	K127-S664 WeakPolarHBondContact CE-O 3.43Å; K127-S664 PolarHBondContact NZ-O 3.06Å
665	Y	89.1	Confident	95.2	Very high	27 Å²	27	50.4 Å²	50.4	11%	0.106	30%	0.301	C	S	.	.			trans	-130	0	-177.6	-75.5	-86.6	0	0	0	111	A330 N332 A333 A337 S338 V341 R663	A330-Y665 CarbonylContact C-O 3.22Å; A330-Y665 WeakPolarHBondContact CA-O 3.44Å; A330-Y665 WeakPolarHBondContact CB-O 3.41Å; N332-Y665 VanDerWaalsContact CB-OXT 3.24Å; N332-Y665 WeakPolarHBondContact CB-OXT 3.45Å; A333-Y665 HydrophobicContact CB-CD1 4.38Å; A333-Y665 WeakPolarHBondContact CB-OXT 3.42Å; A333-Y665 PolarHBondContact N-OXT 3.05Å; A337-Y665 HydrophobicContact CB-CG 4.32Å; S338-Y665 WeakPolarHBondContact OG-CE2 3.47Å; V341-Y665 HydrophobicContact CG2-CD2 4.39Å; R663-Y665 HydrophobicContact CG-CD2 4.48Å; R663-Y665 HydrophobicContact CG-CE2 3.8Å

Retrieved 665 of 665 residues in 356.6 ms (Link to these results)

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