A0A087XNJ3_POEFO Loading...

NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for catalysing the entry and efficient transfer of electrons within complex I. Plays a key role in the assembly and stability of complex I and participates in the association of complex I with ubiquinol-cytochrome reductase complex (Complex III) to form supercomplexes.

AlphaFold DB , UniProt , Accession A0A087XNJ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 731 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	31.1	Very low	240 Å²	240	159.7 Å²	159.7	100%	1.182	87%	0.865	S	S	*	*				0	127.1	0	-80.5	177.8	-176.1	0	0	108.8
2	L	27	Very low	30.8	Very low	173 Å²	173	154.8 Å²	154.8	91%	0.906	86%	0.862	S	S	*	*			trans	25.1	124.8	152.9	-73.1	149.1	0	0	0	120.9
3	R	31.6	Very low	30.4	Very low	241 Å²	241	149.1 Å²	149.1	91%	0.909	86%	0.859	S	S	*	*			trans	-43.7	146.2	160.3	-64.1	173.1	172	177.7	-3.7	113.5
4	L	32.5	Very low	30.2	Very low	169 Å²	169	145.6 Å²	145.6	89%	0.885	86%	0.857	S	S	*	*			trans	-142.5	158.1	157	-88.2	171.9	0	0	0	110.2
5	P	41.1	Very low	30.2	Very low	111 Å²	111	142.1 Å²	142.1	72%	0.721	85%	0.852	S	S	*	*			trans	-122.4	178.1	-134.2	32.9	-13	0	0	0	114.3
6	A	33.1	Very low	30.1	Very low	95 Å²	95	146.8 Å²	146.8	79%	0.785	86%	0.857	S	S	*	*			trans	-69.7	141.1	169.9	0	0	0	0	0	113.2
7	V	31	Very low	29.9	Very low	150 Å²	150	143 Å²	143	91%	0.909	86%	0.857	S	S	*	*			trans	-146.4	129.9	147.7	-178.4	0	0	0	0	108
8	G	27.4	Very low	29.7	Very low	61 Å²	61	141.1 Å²	141.1	63%	0.629	85%	0.851	S	S	*	*			trans	-115.4	-179.1	173.8	0	0	0	0	0	113.1
9	R	30	Very low	29.8	Very low	254 Å²	254	142.8 Å²	142.8	96%	0.958	86%	0.855	S	S	*	*			trans	71.3	144.2	168	-76.8	-179.7	169.3	-179.5	-3.1	115.6
10	A	28.7	Very low	29.7	Very low	82 Å²	82	140.5 Å²	140.5	68%	0.678	85%	0.851	S	S	*	*			cis	-167.9	167.3	-1.4	0	0	0	0	0	106.4
11	L	27.6	Very low	29.8	Very low	181 Å²	181	140.1 Å²	140.1	95%	0.948	85%	0.852	S	S	*	*				-178.7	128.8	126.7	-94.2	161.2	0	0	0	109.8
12	A	27.3	Very low	29.7	Very low	101 Å²	101	134.3 Å²	134.3	84%	0.835	84%	0.835	S	S	*	*			trans	-109.6	148.5	177.8	0	0	0	0	0	109.8
13	G	26.4	Very low	29.9	Very low	80 Å²	80	133.2 Å²	133.2	83%	0.825	83%	0.83	S	S	*	*			trans	122	110.8	141	0	0	0	0	0	118
14	A	27.4	Very low	29.9	Very low	100 Å²	100	127.5 Å²	127.5	83%	0.826	82%	0.824	S	S	*	*			trans	160.5	92.9	134.7	0	0	0	0	0	109.2
15	A	30	Very low	29.8	Very low	94 Å²	94	128.2 Å²	128.2	78%	0.777	83%	0.825	S	S	*	*				73.5	106	80.1	0	0	0	0	0	116
16	K	27.9	Very low	29.3	Very low	216 Å²	216	134.4 Å²	134.4	94%	0.939	83%	0.834	S	S	*	*				157.4	134	113.3	-86.7	-179.3	179.5	179.7	0	113.1
17	G	26.6	Very low	29.3	Very low	83 Å²	83	134.8 Å²	134.8	86%	0.856	83%	0.831	S	S	*	*			trans	157.1	103.3	162	0	0	0	0	0	113.5
18	S	26.9	Very low	29.5	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	83%	0.825	S	S	*	*			trans	-92.5	129.2	-173.7	53.4	0	0	0	0	114.5
19	L	31.6	Very low	29.9	Very low	175 Å²	175	135.6 Å²	135.6	92%	0.916	83%	0.833	S	S	*	*			trans	57.4	119.7	132.8	-67.3	161.5	0	0	0	122.8
20	A	28.2	Very low	30.3	Very low	95 Å²	95	134.7 Å²	134.7	79%	0.785	83%	0.83	S	S	*	*			trans	-154.4	152.4	134.3	0	0	0	0	0	109.7
21	P	31.8	Very low	30.8	Very low	134 Å²	134	135.1 Å²	135.1	87%	0.87	83%	0.833	S	S	*	*			trans	-91.9	133.3	-151.6	34.7	-31.8	0	0	0	113.6
22	S	30.3	Very low	31.8	Very low	117 Å²	117	130.5 Å²	130.5	82%	0.818	82%	0.821	S	S	*	*			trans	-109.6	127.8	167.5	59.8	0	0	0	0	110.5
23	N	30.1	Very low	33.5	Very low	150 Å²	150	130 Å²	130	80%	0.802	81%	0.812	S	S	*	*			trans	-18.6	137.7	172.5	-86.2	-27.2	0	0	0	116.9	M25	N23-M25 PolarHBondContact O-N 3.07Å
24	P	31.7	Very low	36.2	Very low	121 Å²	121	132.9 Å²	132.9	79%	0.786	81%	0.808	S	S	*	*			trans	-68.9	112.1	163.5	30.2	-27.9	0	0	0	107.7	R26	P24-R26 PolarHBondContact O-N 3.15Å; P24-R26 VanDerWaalsContact O-N 3.11Å
25	M	30.2	Very low	39.3	Very low	185 Å²	185	131.3 Å²	131.3	91%	0.911	79%	0.785	S	S	*	*			trans	-49.3	120.1	160.1	-85.5	174.2	80.3	0	0	107.4	N23 S27	N23-M25 PolarHBondContact O-N 3.07Å; M25-S27 PolarHBondContact O-N 3.15Å
26	R	32	Very low	42.3	Very low	241 Å²	241	128.1 Å²	128.1	91%	0.909	76%	0.755	S	S	*	*			trans	-49.8	108.1	165.3	-81.9	175.6	167.3	-178.2	-4.9	107.6	P24 A28	P24-R26 PolarHBondContact O-N 3.15Å; P24-R26 VanDerWaalsContact O-N 3.11Å; R26-A28 PolarHBondContact O-N 3.22Å; R26-A28 VanDerWaalsContact O-N 3.13Å
27	S	33.2	Very low	45.5	Very low	103 Å²	103	121.6 Å²	121.6	72%	0.72	73%	0.728	S	S	*	*			trans	-49.5	117.3	154.9	163.1	0	0	0	0	106.5	M25 V29	M25-S27 PolarHBondContact O-N 3.15Å; S27-V29 PolarHBondContact O-N 3.06Å
28	A	35.2	Very low	48.8	Very low	95 Å²	95	117.7 Å²	117.7	79%	0.785	69%	0.688	S	S	*	*			trans	-55.9	108.3	167	0	0	0	0	0	106.7	R26 R30	R26-A28 PolarHBondContact O-N 3.22Å; R26-A28 VanDerWaalsContact O-N 3.13Å; A28-R30 PolarHBondContact O-N 3.34Å
29	V	34.9	Very low	52.2	Low	132 Å²	132	115.6 Å²	115.6	80%	0.8	67%	0.665	S	S	*	*			trans	-59.4	105.3	170.4	176.9	0	0	0	0	105.6	S27 A31	S27-V29 PolarHBondContact O-N 3.06Å; V29-A31 PolarHBondContact O-N 2.95Å; V29-A31 VanDerWaalsContact O-N 3.08Å
30	R	38.5	Very low	55.3	Low	236 Å²	236	107.3 Å²	107.3	89%	0.891	62%	0.622	S	S	*	*			trans	-50	115.2	164.4	-160	176.4	179.5	-167.3	-1.6	105.5	A28 A32	A28-R30 PolarHBondContact O-N 3.34Å; R30-A32 PolarHBondContact O-N 3.34Å; R30-A32 VanDerWaalsContact O-N 3.07Å
31	A	39.9	Very low	58.5	Low	90 Å²	90	105.8 Å²	105.8	74%	0.744	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-49.3	122	177.5	0	0	0	0	0	107.9	V29 S33	V29-A31 PolarHBondContact O-N 2.95Å; V29-A31 VanDerWaalsContact O-N 3.08Å; A31-S33 PolarHBondContact O-N 3.42Å; A31-S33 VanDerWaalsContact O-N 3.17Å
32	A	47.7	Very low	61.4	Low	84 Å²	84	101.6 Å²	101.6	69%	0.694	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-58.8	123.1	179.7	0	0	0	0	0	107.8	R30 N34	R30-A32 PolarHBondContact O-N 3.34Å; R30-A32 VanDerWaalsContact O-N 3.07Å; A32-N34 PolarHBondContact O-N 2.92Å
33	S	62.9	Low	64.4	Low	92 Å²	92	103 Å²	103	64%	0.643	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-61.2	119.6	174.6	50.4	0	0	0	0	108.1	A31 M35	A31-S33 PolarHBondContact O-N 3.42Å; A31-S33 VanDerWaalsContact O-N 3.17Å; S33-M35 PolarHBondContact O-N 3.3Å
34	N	84.2	Confident	67.6	Low	139 Å²	139	99.9 Å²	99.9	74%	0.743	56%	0.561	S	S	*	*			trans	-70.1	27.1	179.1	-71.4	-21.5	0	0	0	113.1	A32 P49	A32-N34 PolarHBondContact O-N 2.92Å; N34-P49 HydrophobicContact CB-CG 4.41Å; N34-P49 VanDerWaalsContact O-CD 3.26Å; N34-P49 WeakPolarHBondContact O-CD 3.5Å; N34-P49 WeakPolarHBondContact O-CG 3.34Å
35	M	91.1	Very high	70.6	Confident	68 Å²	68	95.1 Å²	95.1	34%	0.335	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-69.3	139.5	-177	-61.4	-66.4	-81.4	0	0	110.5	S33 E46 V47 E48	S33-M35 PolarHBondContact O-N 3.3Å; M35-E46 HydrophobicContact CB-CB 4.26Å; M35-E46 HydrophobicContact CE-CB 4.15Å; M35-V47 CarbonylContact C-O 3.54Å; M35-V47 WeakPolarHBondContact CA-O 3.47Å; M35-E48 HydrophobicContact CE-CG 4.32Å; M35-E48 HydrophobicContact SD-CG 3.74Å
36	V	92.8	Very high	73.7	Confident	26 Å²	26	92.3 Å²	92.3	16%	0.158	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.3	176	-178.1	0	0	0	0	108.1	V38 V47 P49 K102	V36-V38 HydrophobicContact CG1-CG1 4.17Å; V36-V47 HydrophobicContact CB-CG2 4.45Å; V36-V47 PolarHBondContact N-O 3.28Å; V36-V47 PolarHBondContact O-N 3.38Å; V36-P49 HydrophobicContact CG2-CB 4.43Å; V36-P49 HydrophobicContact CG2-CG 4.11Å; V36-K102 HydrophobicContact CG1-CB 3.87Å
37	E	95.4	Very high	76.7	Confident	80 Å²	80	80.9 Å²	80.9	37%	0.374	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	127.1	172.9	-173.6	-176.6	-158	0	0	110.3	K102 G103	E37-K102 WeakPolarHBondContact O-CA 3.3Å; E37-G103 PolarHBondContact O-N 2.93Å
38	V	96.4	Very high	79.6	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	164	175.2	-58.2	0	0	0	0	109.8	V36 P44 V45 V47 A56 V100	V36-V38 HydrophobicContact CG1-CG1 4.17Å; V38-P44 CarbonylContact O-C 3.58Å; V38-P44 WeakPolarHBondContact O-CA 3.2Å; V38-V45 HydrophobicContact CG2-CB 4.18Å; V38-V45 WeakPolarHBondContact CG2-O 3.48Å; V38-V45 PolarHBondContact N-O 2.64Å; V38-V45 PolarHBondContact O-N 3.04Å; V38-V47 HydrophobicContact CG1-CG2 4.39Å; V38-V47 HydrophobicContact CG2-CG2 4.28Å; V38-A56 HydrophobicContact CG2-CB 4.28Å; V38-V100 HydrophobicContact CG1-CB 3.76Å; V38-V100 HydrophobicContact CG1-CG1 4.21Å; V38-V100 HydrophobicContact CG1-CG2 4.06Å
39	F	97.3	Very high	82.3	Confident	64 Å²	64	80.8 Å²	80.8	28%	0.281	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.7	175.5	-57.3	-91.7	0	0	0	109.9	K43 P44 W104 N105 I106	F39-K43 CarbonylContact C-O 3.55Å; F39-K43 VanDerWaalsContact CA-O 3.25Å; F39-K43 WeakPolarHBondContact CA-O 3.47Å; F39-P44 HydrophobicContact CD1-CB 4.1Å; F39-P44 HydrophobicContact CE1-CB 3.91Å; F39-W104 PolarHBondContact N-O 3.4Å; F39-N105 HydrophobicContact CB-CB 4.04Å; F39-N105 CarbonylContact O-C 3.57Å; F39-N105 WeakPolarHBondContact O-CA 3.38Å; F39-I106 PolarHBondContact O-N 3.11Å
40	V	97.1	Very high	85	Confident	1 Å²	1	77.4 Å²	77.4	1%	0.006	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111.2	172	-177.7	0	0	0	0	107.4	G42 K43 V45 C57 A60 I62 I106 T108	V40-G42 PolarHBondContact O-N 2.98Å; V40-K43 PolarHBondContact N-O 2.98Å; V40-K43 WeakPolarHBondContact O-CB 3.39Å; V40-K43 PolarHBondContact O-N 2.83Å; V40-V45 HydrophobicContact CB-CG2 4.39Å; V40-V45 HydrophobicContact CG2-CG2 4.04Å; V40-C57 HydrophobicContact CG1-CB 4.49Å; V40-A60 HydrophobicContact CB-CB 3.9Å; V40-A60 HydrophobicContact CG1-CB 3.95Å; V40-A60 HydrophobicContact CG2-CB 3.98Å; V40-I62 HydrophobicContact CG1-CD1 3.65Å; V40-I62 HydrophobicContact CG1-CG1 4.48Å; V40-I106 HydrophobicContact CG2-CD1 4.1Å; V40-T108 HydrophobicContact CG1-CG2 3.92Å
41	D	95.6	Very high	87.7	Confident	63 Å²	63	66.8 Å²	66.8	34%	0.337	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	42.2	-172.2	-60.2	-52.2	0	0	0	112.6	K43 I62 I106 L107 T108	D41-K43 VanDerWaalsContact C-N 3.29Å; D41-K43 PolarHBondContact O-N 2.75Å; D41-I62 VanDerWaalsContact OD2-CD1 3.25Å; D41-I62 WeakPolarHBondContact OD2-CD1 3.31Å; D41-I106 PolarHBondContact N-O 3.3Å; D41-L107 WeakPolarHBondContact OD1-CA 3.37Å; D41-T108 PolarHBondContact OD1-N 3.39Å; D41-T108 PolarHBondContact OD2-OG1 3.18Å
42	G	92.4	Very high	90.4	Very high	46 Å²	46	63.2 Å²	63.2	47%	0.474	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-4.2	-177.9	0	0	0	0	0	115.8	V40 N105	V40-G42 PolarHBondContact O-N 2.98Å; G42-N105 PolarHBondContact N-OD1 3.31Å
43	K	94.4	Very high	92.8	Very high	148 Å²	148	59.2 Å²	59.2	64%	0.643	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	126	175.1	-62.1	178.6	-178	174	0	110.5	F39 V40 D41	F39-K43 CarbonylContact C-O 3.55Å; F39-K43 VanDerWaalsContact CA-O 3.25Å; F39-K43 WeakPolarHBondContact CA-O 3.47Å; V40-K43 PolarHBondContact N-O 2.98Å; V40-K43 WeakPolarHBondContact O-CB 3.39Å; V40-K43 PolarHBondContact O-N 2.83Å; D41-K43 VanDerWaalsContact C-N 3.29Å; D41-K43 PolarHBondContact O-N 2.75Å
44	P	96.1	Very high	94.4	Very high	84 Å²	84	54.9 Å²	54.9	55%	0.545	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	138.5	177	28.6	-33.7	0	0	0	111.1	V38 F39	V38-P44 CarbonylContact O-C 3.58Å; V38-P44 WeakPolarHBondContact O-CA 3.2Å; F39-P44 HydrophobicContact CD1-CB 4.1Å; F39-P44 HydrophobicContact CE1-CB 3.91Å
45	V	95.6	Very high	95	Very high	21 Å²	21	51.6 Å²	51.6	13%	0.127	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	129.6	177.6	-174	0	0	0	0	108	V38 V40 V47 K59 A60	V38-V45 HydrophobicContact CG2-CB 4.18Å; V38-V45 WeakPolarHBondContact CG2-O 3.48Å; V38-V45 PolarHBondContact N-O 2.64Å; V38-V45 PolarHBondContact O-N 3.04Å; V40-V45 HydrophobicContact CB-CG2 4.39Å; V40-V45 HydrophobicContact CG2-CG2 4.04Å; V45-V47 HydrophobicContact CG1-CG1 3.86Å; V45-K59 HydrophobicContact CG1-CB 4.2Å; V45-A60 HydrophobicContact CG2-CB 3.84Å
46	E	95.3	Very high	95.3	Very high	126 Å²	126	48.4 Å²	48.4	59%	0.589	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.5	173.7	-65.9	-170	155.9	0	0	109.8	M35	M35-E46 HydrophobicContact CB-CB 4.26Å; M35-E46 HydrophobicContact CE-CB 4.15Å
47	V	94.4	Very high	95.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	158.2	-179.1	-59	0	0	0	0	111.6	M35 V36 V38 V45 T51 A56 K59 V100	M35-V47 CarbonylContact C-O 3.54Å; M35-V47 WeakPolarHBondContact CA-O 3.47Å; V36-V47 HydrophobicContact CB-CG2 4.45Å; V36-V47 PolarHBondContact N-O 3.28Å; V36-V47 PolarHBondContact O-N 3.38Å; V38-V47 HydrophobicContact CG1-CG2 4.39Å; V38-V47 HydrophobicContact CG2-CG2 4.28Å; V45-V47 HydrophobicContact CG1-CG1 3.86Å; V47-T51 HydrophobicContact CB-CG2 4.13Å; V47-T51 HydrophobicContact CG1-CG2 4.47Å; V47-A56 HydrophobicContact CG1-CB 3.92Å; V47-K59 HydrophobicContact CG1-CD 3.95Å; V47-V100 HydrophobicContact CG2-CG2 3.41Å; V47-V100 VanDerWaalsContact CG2-CG2 3.41Å
48	E	94.3	Very high	95.5	Very high	114 Å²	114	46 Å²	46	53%	0.533	26%	0.26	S	S	.	.			trans	-71.7	147.3	178	-71.7	167	-148.1	0	0	110.6	M35 G50 T51	M35-E48 HydrophobicContact CE-CG 4.32Å; M35-E48 HydrophobicContact SD-CG 3.74Å; E48-G50 PolarHBondContact O-N 3.3Å; E48-T51 PolarHBondContact N-OG1 2.78Å; E48-T51 WeakPolarHBondContact O-CB 3.18Å; E48-T51 PolarHBondContact O-N 2.85Å; E48-T51 VanDerWaalsContact O-N 3.11Å; E48-T51 PolarHBondContact O-OG1 3.2Å
49	P	92.9	Very high	95.4	Very high	83 Å²	83	51.5 Å²	51.5	54%	0.539	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	137	171.3	-24.4	33.8	0	0	0	111.6	N34 V36 T51	N34-P49 HydrophobicContact CB-CG 4.41Å; N34-P49 VanDerWaalsContact O-CD 3.26Å; N34-P49 WeakPolarHBondContact O-CD 3.5Å; N34-P49 WeakPolarHBondContact O-CG 3.34Å; V36-P49 HydrophobicContact CG2-CB 4.43Å; V36-P49 HydrophobicContact CG2-CG 4.11Å; P49-T51 VanDerWaalsContact C-N 3.29Å; P49-T51 PolarHBondContact O-N 2.89Å
50	G	91.3	Very high	95.3	Very high	60 Å²	60	50 Å²	50	62%	0.619	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	-11.7	-177.6	0	0	0	0	0	114.8	E48 T52	E48-G50 PolarHBondContact O-N 3.3Å; G50-T52 PolarHBondContact O-N 3.48Å
51	T	95	Very high	95.2	Very high	13 Å²	13	53.3 Å²	53.3	8%	0.08	32%	0.318	C	S	.	.			trans	-56.6	134.8	172.1	-56.4	0	0	0	0	110.4	V47 E48 P49 Q55 P99 V100	V47-T51 HydrophobicContact CB-CG2 4.13Å; V47-T51 HydrophobicContact CG1-CG2 4.47Å; E48-T51 PolarHBondContact N-OG1 2.78Å; E48-T51 WeakPolarHBondContact O-CB 3.18Å; E48-T51 PolarHBondContact O-N 2.85Å; E48-T51 VanDerWaalsContact O-N 3.11Å; E48-T51 PolarHBondContact O-OG1 3.2Å; P49-T51 VanDerWaalsContact C-N 3.29Å; P49-T51 PolarHBondContact O-N 2.89Å; T51-Q55 HydrophobicContact CG2-CB 3.51Å; T51-P99 WeakPolarHBondContact O-CA 3.37Å; T51-V100 WeakPolarHBondContact O-CG2 3.48Å; T51-V100 PolarHBondContact O-N 3.33Å
52	T	97.3	Very high	95.2	Very high	16 Å²	16	52.6 Å²	52.6	10%	0.098	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-74	158.8	177	64	0	0	0	0	111.8	G50 L54 Q55 A56 M98	G50-T52 PolarHBondContact O-N 3.48Å; T52-L54 PolarHBondContact O-N 3.41Å; T52-Q55 PolarHBondContact O-N 3.27Å; T52-Q55 WeakPolarHBondContact OG1-CG 3.47Å; T52-Q55 PolarHBondContact OG1-N 3.19Å; T52-Q55 PolarHBondContact OG1-OE1 3.31Å; T52-A56 PolarHBondContact O-N 3.33Å; T52-M98 CarbonylContact C-O 3.51Å; T52-M98 WeakPolarHBondContact CA-O 3.48Å
53	V	97.3	Very high	95.4	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-56.2	-36.6	172.9	169.4	0	0	0	0	111.2	A56 C57 V84 I86 A95 M98 V100 W104 I106	V53-A56 PolarHBondContact O-N 3.26Å; V53-C57 PolarHBondContact O-N 2.95Å; V53-C57 PolarHBondContact O-SG 3.33Å; V53-C57 VanDerWaalsContact O-SG 3.34Å; V53-V84 HydrophobicContact CG1-CG1 3.76Å; V53-I86 HydrophobicContact CG2-CD1 4.37Å; V53-A95 HydrophobicContact CB-CB 4.1Å; V53-A95 HydrophobicContact CG1-CB 3.8Å; V53-A95 PolarHBondContact N-O 3.16Å; V53-M98 HydrophobicContact CG2-CB 4.16Å; V53-M98 HydrophobicContact CG2-CG 4.24Å; V53-M98 WeakPolarHBondContact CG2-O 3.31Å; V53-M98 PolarHBondContact N-O 2.87Å; V53-V100 HydrophobicContact CB-CG1 4.44Å; V53-V100 HydrophobicContact CG2-CG1 3.91Å; V53-W104 HydrophobicContact CG2-CE3 4.22Å; V53-W104 HydrophobicContact CG2-CZ3 3.96Å; V53-I106 HydrophobicContact CG1-CD1 3.86Å; V53-I106 HydrophobicContact CG1-CG1 4Å; V53-I106 HydrophobicContact CG1-CG2 3.77Å; V53-I106 HydrophobicContact CG2-CD1 4.45Å
54	L	97.4	Very high	95.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-51	177.2	-176.8	154.7	0	0	0	111.8	T52 A56 C57 E58 Y69 A95 C96	T52-L54 PolarHBondContact O-N 3.41Å; L54-A56 VanDerWaalsContact C-N 3.3Å; L54-A56 PolarHBondContact O-N 2.66Å; L54-C57 WeakPolarHBondContact O-CB 3.4Å; L54-C57 PolarHBondContact O-N 3.33Å; L54-E58 VanDerWaalsContact CD2-CD 3.45Å; L54-E58 HydrophobicContact CD2-CG 4.25Å; L54-E58 VanDerWaalsContact CD2-OE1 3.27Å; L54-E58 WeakPolarHBondContact CD2-OE1 3.5Å; L54-E58 PolarHBondContact O-N 3.11Å; L54-Y69 HydrophobicContact CD1-CD1 3.57Å; L54-Y69 HydrophobicContact CD1-CE1 3.98Å; L54-Y69 HydrophobicContact CD1-CG 4.01Å; L54-Y69 HydrophobicContact CD2-CD1 3.89Å; L54-Y69 HydrophobicContact CD2-CE1 3.42Å; L54-Y69 VanDerWaalsContact CD2-CE1 3.42Å; L54-Y69 HydrophobicContact CG-CD1 4.42Å; L54-Y69 HydrophobicContact CG-CE1 4.36Å; L54-A95 HydrophobicContact CB-CB 4.05Å; L54-A95 WeakPolarHBondContact CB-O 3.32Å; L54-A95 PolarHBondContact N-O 3Å; L54-C96 HydrophobicContact CD1-CB 3.82Å
55	Q	96.3	Very high	95.7	Very high	71 Å²	71	46.1 Å²	46.1	33%	0.332	27%	0.267	S	S	.	.	H	α-helix	trans	-65.3	-34	178.7	-72	163.7	-36.8	0	0	112.2	T51 T52 C57 E58 K59	T51-Q55 HydrophobicContact CG2-CB 3.51Å; T52-Q55 PolarHBondContact O-N 3.27Å; T52-Q55 WeakPolarHBondContact OG1-CG 3.47Å; T52-Q55 PolarHBondContact OG1-N 3.19Å; T52-Q55 PolarHBondContact OG1-OE1 3.31Å; Q55-C57 VanDerWaalsContact C-N 3.34Å; Q55-E58 PolarHBondContact O-N 3.21Å; Q55-K59 PolarHBondContact O-N 3.01Å
56	A	96.4	Very high	95.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-39.8	173.7	0	0	0	0	0	112	V38 V47 T52 V53 L54 A60 V100	V38-A56 HydrophobicContact CG2-CB 4.28Å; V47-A56 HydrophobicContact CG1-CB 3.92Å; T52-A56 PolarHBondContact O-N 3.33Å; V53-A56 PolarHBondContact O-N 3.26Å; L54-A56 VanDerWaalsContact C-N 3.3Å; L54-A56 PolarHBondContact O-N 2.66Å; A56-A60 PolarHBondContact O-N 3.45Å; A56-V100 HydrophobicContact CB-CG1 3.76Å
57	C	97	Very high	95.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.6	-38.1	172.7	-69.6	0	0	0	0	112.4	V40 V53 L54 Q55 A60 G61 I62 I64	V40-C57 HydrophobicContact CG1-CB 4.49Å; V53-C57 PolarHBondContact O-N 2.95Å; V53-C57 PolarHBondContact O-SG 3.33Å; V53-C57 VanDerWaalsContact O-SG 3.34Å; L54-C57 WeakPolarHBondContact O-CB 3.4Å; L54-C57 PolarHBondContact O-N 3.33Å; Q55-C57 VanDerWaalsContact C-N 3.34Å; C57-A60 CarbonylContact O-C 3.55Å; C57-A60 WeakPolarHBondContact O-CA 3.34Å; C57-A60 VanDerWaalsContact O-CB 3.27Å; C57-A60 WeakPolarHBondContact O-CB 3.49Å; C57-A60 PolarHBondContact O-N 2.86Å; C57-G61 PolarHBondContact O-N 3.35Å; C57-I62 CarbonylContact C-O 3.44Å; C57-I62 HydrophobicContact CB-CB 4.33Å; C57-I62 WeakPolarHBondContact CB-O 3.43Å; C57-I62 PolarHBondContact O-N 3.12Å; C57-I62 VanDerWaalsContact O-O 3.13Å; C57-I64 HydrophobicContact CB-CD1 3.91Å; C57-I64 HydrophobicContact CB-CG1 4.06Å
58	E	95.9	Very high	96	Very high	55 Å²	55	41.2 Å²	41.2	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-41.3	175.3	-74.4	175.1	168.6	0	0	111.9	L54 Q55 A60 G61 I62 R66	L54-E58 VanDerWaalsContact CD2-CD 3.45Å; L54-E58 HydrophobicContact CD2-CG 4.25Å; L54-E58 VanDerWaalsContact CD2-OE1 3.27Å; L54-E58 WeakPolarHBondContact CD2-OE1 3.5Å; L54-E58 PolarHBondContact O-N 3.11Å; Q55-E58 PolarHBondContact O-N 3.21Å; E58-A60 PolarHBondContact O-N 3.14Å; E58-G61 WeakPolarHBondContact O-CA 3.41Å; E58-G61 PolarHBondContact O-N 3.25Å; E58-I62 PolarHBondContact N-O 2.92Å; E58-R66 IonicContact OE1-CZ 3.65Å; E58-R66 IonicContact OE1-NH1 2.82Å; E58-R66 PolarHBondContact OE1-NH1 3.18Å
59	K	94.4	Very high	96.2	Very high	116 Å²	116	36.2 Å²	36.2	50%	0.504	22%	0.217	S	C	.	.	H	α-helix	trans	-60	-27.6	170	-76.7	-174.7	172	-174	0	112.7	V45 V47 Q55 G61	V45-K59 HydrophobicContact CG1-CB 4.2Å; V47-K59 HydrophobicContact CG1-CD 3.95Å; Q55-K59 PolarHBondContact O-N 3.01Å; K59-G61 VanDerWaalsContact C-N 3.29Å
60	A	94.8	Very high	96.4	Very high	33 Å²	33	33.2 Å²	33.2	27%	0.273	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.4	173.6	0	0	0	0	0	113.9	V40 V45 A56 C57 E58	V40-A60 HydrophobicContact CB-CB 3.9Å; V40-A60 HydrophobicContact CG1-CB 3.95Å; V40-A60 HydrophobicContact CG2-CB 3.98Å; V45-A60 HydrophobicContact CG2-CB 3.84Å; A56-A60 PolarHBondContact O-N 3.45Å; C57-A60 CarbonylContact O-C 3.55Å; C57-A60 WeakPolarHBondContact O-CA 3.34Å; C57-A60 VanDerWaalsContact O-CB 3.27Å; C57-A60 WeakPolarHBondContact O-CB 3.49Å; C57-A60 PolarHBondContact O-N 2.86Å; E58-A60 PolarHBondContact O-N 3.14Å
61	G	95.3	Very high	96.5	Very high	71 Å²	71	34.7 Å²	34.7	73%	0.732	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.9	16.9	-175.8	0	0	0	0	0	114.5	C57 E58 K59	C57-G61 PolarHBondContact O-N 3.35Å; E58-G61 WeakPolarHBondContact O-CA 3.41Å; E58-G61 PolarHBondContact O-N 3.25Å; K59-G61 VanDerWaalsContact C-N 3.29Å
62	I	96.2	Very high	96.5	Very high	47 Å²	47	36.4 Å²	36.4	24%	0.241	19%	0.191	C	C	.	.			trans	-110.6	113.6	179.1	-55.1	-174.6	0	0	0	110	V40 D41 C57 E58 T108	V40-I62 HydrophobicContact CG1-CD1 3.65Å; V40-I62 HydrophobicContact CG1-CG1 4.48Å; D41-I62 VanDerWaalsContact OD2-CD1 3.25Å; D41-I62 WeakPolarHBondContact OD2-CD1 3.31Å; C57-I62 CarbonylContact C-O 3.44Å; C57-I62 HydrophobicContact CB-CB 4.33Å; C57-I62 WeakPolarHBondContact CB-O 3.43Å; C57-I62 PolarHBondContact O-N 3.12Å; C57-I62 VanDerWaalsContact O-O 3.13Å; E58-I62 PolarHBondContact N-O 2.92Å; I62-T108 HydrophobicContact CD1-CG2 4.27Å; I62-T108 HydrophobicContact CG2-CG2 4.16Å
63	Q	96.6	Very high	96.4	Very high	138 Å²	138	36.1 Å²	36.1	65%	0.645	19%	0.189	S	C	*	.	P	Polyproline II helix	trans	-85.6	117.9	175.4	-162.7	177	25	0	0	110.8
64	I	97.6	Very high	96.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-83.5	135.5	175.1	-64	-175.4	0	0	0	109.3	C57 R66 C82 A95	C57-I64 HydrophobicContact CB-CD1 3.91Å; C57-I64 HydrophobicContact CB-CG1 4.06Å; I64-R66 PolarHBondContact O-N 3.42Å; I64-C82 HydrophobicContact CG2-CB 3.75Å; I64-A95 HydrophobicContact CD1-CB 3.57Å; I64-A95 HydrophobicContact CG2-CB 4.38Å
65	P	97.6	Very high	96.3	Very high	5 Å²	5	42 Å²	42	3%	0.032	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-62.4	137	177.7	26.4	-35.4	0	0	0	111.7	M81 C82 R117 Q146 F150	P65-M81 HydrophobicContact CB-CE 3.79Å; P65-M81 HydrophobicContact CB-CG 3.83Å; P65-M81 HydrophobicContact CG-CE 3.99Å; P65-M81 HydrophobicContact CG-CG 4.22Å; P65-M81 CarbonylContact O-C 3.6Å; P65-C82 WeakPolarHBondContact O-CA 3.47Å; P65-C82 PolarHBondContact O-N 3.47Å; P65-R117 HydrophobicContact CG-CG 4.22Å; P65-Q146 HydrophobicContact CB-CG 4.37Å; P65-Q146 VanDerWaalsContact CB-OE1 3.3Å; P65-F150 HydrophobicContact CB-CD2 3.78Å; P65-F150 HydrophobicContact CB-CE2 3.85Å; P65-F150 HydrophobicContact CB-CG 4.44Å; P65-F150 HydrophobicContact CG-CD1 4.49Å; P65-F150 HydrophobicContact CG-CD2 4.01Å; P65-F150 HydrophobicContact CG-CE2 4.12Å; P65-F150 HydrophobicContact CG-CG 4.21Å; P65-F150 HydrophobicContact CG-CZ 4.39Å
66	R	97.3	Very high	96.2	Very high	44 Å²	44	40.8 Å²	40.8	17%	0.166	23%	0.229	C	C	.	.			trans	-145.4	141.1	-170	54.6	-179.1	179.8	-166.8	12.3	111.2	E58 I64 E71 Q146	E58-R66 IonicContact OE1-CZ 3.65Å; E58-R66 IonicContact OE1-NH1 2.82Å; E58-R66 PolarHBondContact OE1-NH1 3.18Å; I64-R66 PolarHBondContact O-N 3.42Å; R66-E71 IonicContact CZ-OE1 3.83Å; R66-E71 VanDerWaalsContact CZ-OE1 3.23Å; R66-E71 IonicContact NH1-OE1 3.51Å; R66-E71 PolarHBondContact NH1-OE1 3.16Å; R66-E71 IonicContact NH2-OE1 2.67Å; R66-E71 PolarHBondContact NH2-OE1 3.07Å; R66-Q146 PolarHBondContact O-NE2 2.73Å
67	F	98	Very high	96	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-123.6	-41.2	171.3	-71.8	-62.7	0	0	0	114	C79 M81 M121 L124 D142 L143 Q146 I181 R185 P231	F67-C79 HydrophobicContact CB-CB 3.96Å; F67-M81 HydrophobicContact CD2-CB 3.59Å; F67-M81 HydrophobicContact CD2-CG 3.76Å; F67-M81 HydrophobicContact CE2-CB 3.98Å; F67-M81 HydrophobicContact CE2-CG 3.64Å; F67-M81 HydrophobicContact CE2-SD 3.95Å; F67-M121 HydrophobicContact CE2-CE 3.89Å; F67-M121 HydrophobicContact CZ-CE 3.74Å; F67-L124 HydrophobicContact CD2-CD1 3.52Å; F67-L124 HydrophobicContact CE2-CD1 3.29Å; F67-L124 HydrophobicContact CZ-CD1 4.14Å; F67-D142 HydrophobicContact CD1-CB 4.34Å; F67-D142 HydrophobicContact CE1-CB 4.04Å; F67-L143 HydrophobicContact CE1-CB 3.99Å; F67-L143 HydrophobicContact CE1-CD1 4.03Å; F67-L143 HydrophobicContact CE2-CD1 4.35Å; F67-L143 HydrophobicContact CZ-CB 4.34Å; F67-L143 HydrophobicContact CZ-CD1 3.63Å; F67-Q146 HydrophobicContact CZ-CB 4.13Å; F67-I181 HydrophobicContact CB-CD1 3.84Å; F67-I181 HydrophobicContact CD1-CD1 3.77Å; F67-I181 HydrophobicContact CD2-CD1 4.45Å; F67-I181 HydrophobicContact CE1-CD1 4.46Å; F67-I181 HydrophobicContact CG-CD1 3.77Å; F67-R185 WeakPolarHBondContact O-CD 3.48Å; F67-R185 PolarHBondContact O-NE 3.34Å; F67-R185 PolarHBondContact O-NH2 3.41Å; F67-R185 VanDerWaalsContact O-NH2 3.11Å; F67-P231 HydrophobicContact CD1-CB 3.97Å; F67-P231 HydrophobicContact CD1-CG 4.38Å
68	C	97.4	Very high	95.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-95.2	-30.4	179.6	77.1	0	0	0	0	112.3	N78 C79 C183 R185 R188	C68-N78 WeakPolarHBondContact CB-OD1 3.36Å; C68-N78 PolarHBondContact SG-OD1 3.2Å; C68-N78 VanDerWaalsContact SG-OD1 3.34Å; C68-C79 HydrophobicContact CB-CB 4.08Å; C68-C79 PolarHBondContact N-SG 2.79Å; C68-C79 VanDerWaalsContact N-SG 3.37Å; C68-C79 PolarHBondContact SG-SG 2.78Å; C68-C183 HydrophobicContact CB-CB 4.02Å; C68-C183 VanDerWaalsContact CB-O 3.31Å; C68-C183 WeakPolarHBondContact CB-O 3.46Å; C68-R185 WeakPolarHBondContact O-CG 3.44Å; C68-R188 PolarHBondContact O-NH1 2.82Å; C68-R188 PolarHBondContact O-NH2 3.24Å
69	Y	98	Very high	95.7	Very high	9 Å²	9	42.4 Å²	42.4	4%	0.035	24%	0.243	C	C	.	.			trans	-66.9	139.5	177.8	179.3	-104.9	0	0	0	110.2	L54 E71 V75 C96 R185	L54-Y69 HydrophobicContact CD1-CD1 3.57Å; L54-Y69 HydrophobicContact CD1-CE1 3.98Å; L54-Y69 HydrophobicContact CD1-CG 4.01Å; L54-Y69 HydrophobicContact CD2-CD1 3.89Å; L54-Y69 HydrophobicContact CD2-CE1 3.42Å; L54-Y69 VanDerWaalsContact CD2-CE1 3.42Å; L54-Y69 HydrophobicContact CG-CD1 4.42Å; L54-Y69 HydrophobicContact CG-CE1 4.36Å; Y69-E71 HydrophobicContact CE1-CG 3.9Å; Y69-V75 HydrophobicContact CD2-CG2 4.34Å; Y69-V75 HydrophobicContact CE2-CG2 4.18Å; Y69-C96 HydrophobicContact CD2-CB 3.66Å; Y69-C96 HydrophobicContact CE2-CB 4.48Å; Y69-C96 HydrophobicContact CG-CB 3.71Å; Y69-R185 VanDerWaalsContact O-CZ 3.29Å; Y69-R185 PolarHBondContact O-NE 2.97Å; Y69-R185 VanDerWaalsContact O-NE 3.14Å; Y69-R185 PolarHBondContact O-NH2 3.4Å
70	H	96.8	Very high	95.9	Very high	19 Å²	19	43 Å²	43	9%	0.088	24%	0.242	C	C	.	.			trans	-149.9	134.2	178.4	-172.9	-75.8	0	0	0	106.3	R72 L73 E288 W289	H70-R72 VanDerWaalsContact C-N 3.26Å; H70-R72 PolarHBondContact ND1-N 3.46Å; H70-R72 PolarHBondContact O-N 3.42Å; H70-L73 HydrophobicContact CB-CB 4.06Å; H70-L73 HydrophobicContact CB-CD1 3.92Å; H70-L73 HydrophobicContact CB-CG 4.05Å; H70-L73 PolarHBondContact O-N 3.44Å; H70-L73 VanDerWaalsContact O-O 3.14Å; H70-E288 IonicContact CE1-OE1 2.65Å; H70-E288 PolarHBondContact CE1-OE1 3.37Å; H70-E288 IonicContact CE1-OE2 3.41Å; H70-E288 IonicContact NE2-OE1 2.66Å; H70-E288 PolarHBondContact NE2-OE1 3.4Å; H70-W289 AromaticContact CE1-CH2 3.44Å; H70-W289 VanDerWaalsContact CE1-CH2 3.44Å; H70-W289 WeakPolarHBondContact CE1-CH2 3.37Å; H70-W289 AromaticContact CE1-CZ2 3.92Å; H70-W289 AromaticContact NE2-CH2 3.79Å
71	E	93.8	Very high	96.1	Very high	92 Å²	92	41.5 Å²	41.5	43%	0.43	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.8	-168.1	-72.4	161.3	-149.2	0	0	112.7	R66 Y69	R66-E71 IonicContact CZ-OE1 3.83Å; R66-E71 VanDerWaalsContact CZ-OE1 3.23Å; R66-E71 IonicContact NH1-OE1 3.51Å; R66-E71 PolarHBondContact NH1-OE1 3.16Å; R66-E71 IonicContact NH2-OE1 2.67Å; R66-E71 PolarHBondContact NH2-OE1 3.07Å; Y69-E71 HydrophobicContact CE1-CG 3.9Å
72	R	94.8	Very high	96.2	Very high	48 Å²	48	38.2 Å²	38.2	18%	0.181	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.5	178.1	-51.7	-68.5	168.1	-165	-19.7	116.1	H70 E283 E287 E288 W289	H70-R72 VanDerWaalsContact C-N 3.26Å; H70-R72 PolarHBondContact ND1-N 3.46Å; H70-R72 PolarHBondContact O-N 3.42Å; R72-E283 IonicContact CZ-OE1 3.55Å; R72-E283 IonicContact CZ-OE2 2.73Å; R72-E283 IonicContact NH1-OE1 2.68Å; R72-E283 IonicContact NH1-OE2 2.78Å; R72-E283 PolarHBondContact NH1-OE2 3.14Å; R72-E283 IonicContact NH2-OE1 3.56Å; R72-E283 PolarHBondContact NH2-OE1 2.91Å; R72-E283 IonicContact NH2-OE2 3.58Å; R72-E283 PolarHBondContact NH2-OE2 3.03Å; R72-E287 IonicContact CZ-OE1 3.94Å; R72-E287 IonicContact NE-OE1 3.83Å; R72-E287 IonicContact NH1-OE1 3.32Å; R72-E287 PolarHBondContact NH1-OE1 2.87Å; R72-E288 HydrophobicContact CG-CG 4.01Å; R72-E288 WeakPolarHBondContact CG-OE2 3.49Å; R72-E288 IonicContact NE-OE2 2.74Å; R72-W289 HydrophobicContact CB-CZ2 3.74Å; R72-W289 HydrophobicContact CG-CZ2 4.11Å
73	L	96.3	Very high	96.3	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.052	19%	0.191	C	C	.	.	S	Bend	trans	-119.3	156.3	-177.6	-58	176.4	0	0	0	110.5	H70 R185 R188 F189 I193 V229	H70-L73 HydrophobicContact CB-CB 4.06Å; H70-L73 HydrophobicContact CB-CD1 3.92Å; H70-L73 HydrophobicContact CB-CG 4.05Å; H70-L73 PolarHBondContact O-N 3.44Å; H70-L73 VanDerWaalsContact O-O 3.14Å; L73-R185 HydrophobicContact CD1-CB 4.31Å; L73-R188 HydrophobicContact CD1-CB 4.43Å; L73-F189 HydrophobicContact CD1-CB 4.24Å; L73-F189 HydrophobicContact CD2-CB 4.12Å; L73-F189 HydrophobicContact CD2-CD2 4.3Å; L73-I193 HydrophobicContact CD2-CG1 3.76Å; L73-V229 HydrophobicContact CD1-CG1 4.04Å
74	S	95.6	Very high	96.4	Very high	53 Å²	53	31 Å²	31	37%	0.371	16%	0.161	S	C	.	.			trans	-56	149.7	176.5	71.6	0	0	0	0	112.6	A76 R188 E192	S74-A76 PolarHBondContact O-N 2.75Å; S74-R188 PolarHBondContact O-NH1 3.22Å; S74-R188 WeakPolarHBondContact OG-CD 3.23Å; S74-E192 WeakPolarHBondContact CB-OE1 3.1Å; S74-E192 PolarHBondContact N-OE2 3.31Å; S74-E192 PolarHBondContact OG-OE1 3.45Å; S74-E192 PolarHBondContact OG-OE2 2.79Å
75	V	96.3	Very high	96.4	Very high	70 Å²	70	32.2 Å²	32.2	42%	0.424	17%	0.167	S	C	.	.			trans	-75.4	122.1	-179.8	-180	0	0	0	0	111	Y69 C96 A97	Y69-V75 HydrophobicContact CD2-CG2 4.34Å; Y69-V75 HydrophobicContact CE2-CG2 4.18Å; V75-C96 VanDerWaalsContact CG1-O 3.28Å; V75-C96 WeakPolarHBondContact CG1-O 3.06Å; V75-A97 HydrophobicContact CG1-CB 3.61Å
76	A	93.4	Very high	96.4	Very high	46 Å²	46	32.1 Å²	32.1	38%	0.38	17%	0.166	S	C	.	.			trans	-98.1	-56.4	179.9	0	0	0	0	0	114.6	S74	S74-A76 PolarHBondContact O-N 2.75Å
77	G	92.3	Very high	96.2	Very high	7 Å²	7	34.2 Å²	34.2	7%	0.072	18%	0.178	C	C	.	.			trans	76.5	24.5	-178.4	0	0	0	0	0	116	R80	G77-R80 PolarHBondContact O-NE 3.2Å; G77-R80 PolarHBondContact O-NH2 2.83Å
78	N	92.3	Very high	95.9	Very high	66 Å²	66	43.5 Å²	43.5	35%	0.353	22%	0.218	S	C	.	.			trans	-84.4	-29.4	178.8	57.5	7.1	0	0	0	114.4	C68 Q182 C183 T184	C68-N78 WeakPolarHBondContact CB-OD1 3.36Å; C68-N78 PolarHBondContact SG-OD1 3.2Å; C68-N78 VanDerWaalsContact SG-OD1 3.34Å; N78-Q182 PolarHBondContact ND2-O 3.09Å; N78-C183 VanDerWaalsContact ND2-C 3.26Å; N78-C183 PolarHBondContact ND2-O 2.81Å; N78-C183 VanDerWaalsContact ND2-O 3.13Å; N78-C183 PolarHBondContact OD1-O 3.23Å; N78-T184 WeakPolarHBondContact ND2-CG2 3.49Å; N78-T184 PolarHBondContact ND2-OG1 3.02Å
79	C	96.1	Very high	95.7	Very high	17 Å²	17	44.8 Å²	44.8	12%	0.115	23%	0.228	C	C	.	.	S	Bend	trans	-85.3	-26	-174.4	73.1	0	0	0	0	115.5	F67 C68 M81 V120	F67-C79 HydrophobicContact CB-CB 3.96Å; C68-C79 HydrophobicContact CB-CB 4.08Å; C68-C79 PolarHBondContact N-SG 2.79Å; C68-C79 VanDerWaalsContact N-SG 3.37Å; C68-C79 PolarHBondContact SG-SG 2.78Å; C79-M81 PolarHBondContact O-N 3.19Å; C79-V120 VanDerWaalsContact O-CG1 3.25Å; C79-V120 WeakPolarHBondContact O-CG1 3.06Å
80	R	97.9	Very high	95.5	Very high	129 Å²	129	50.5 Å²	50.5	49%	0.487	27%	0.267	S	S	.	.			trans	57.2	13.7	-179.3	-50.6	-61.6	178.6	166.6	-6.7	117.1	G77 C82 L83 V120	G77-R80 PolarHBondContact O-NE 3.2Å; G77-R80 PolarHBondContact O-NH2 2.83Å; R80-C82 PolarHBondContact O-N 2.87Å; R80-L83 HydrophobicContact CB-CD1 4.06Å; R80-L83 HydrophobicContact CB-CG 4.21Å; R80-L83 WeakPolarHBondContact O-CG 3.2Å; R80-L83 PolarHBondContact O-N 3Å; R80-V120 HydrophobicContact CB-CG2 4.15Å
81	M	98.2	Very high	95.4	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.7	177	-171.6	62.1	-174.5	0	0	113.5	P65 F67 C79 L83 R117 V120 M121 Q146 F150	P65-M81 HydrophobicContact CB-CE 3.79Å; P65-M81 HydrophobicContact CB-CG 3.83Å; P65-M81 HydrophobicContact CG-CE 3.99Å; P65-M81 HydrophobicContact CG-CG 4.22Å; P65-M81 CarbonylContact O-C 3.6Å; F67-M81 HydrophobicContact CD2-CB 3.59Å; F67-M81 HydrophobicContact CD2-CG 3.76Å; F67-M81 HydrophobicContact CE2-CB 3.98Å; F67-M81 HydrophobicContact CE2-CG 3.64Å; F67-M81 HydrophobicContact CE2-SD 3.95Å; C79-M81 PolarHBondContact O-N 3.19Å; M81-L83 PolarHBondContact O-N 3.39Å; M81-R117 HydrophobicContact CE-CB 4.12Å; M81-R117 HydrophobicContact CE-CG 4.4Å; M81-V120 HydrophobicContact CB-CG1 4.19Å; M81-V120 HydrophobicContact SD-CB 4.3Å; M81-V120 HydrophobicContact SD-CG1 4.01Å; M81-M121 HydrophobicContact CE-CE 3.6Å; M81-M121 HydrophobicContact SD-CE 4.12Å; M81-Q146 HydrophobicContact CE-CB 4.44Å; M81-F150 HydrophobicContact CE-CB 3.85Å; M81-F150 HydrophobicContact CE-CD2 4.5Å; M81-F150 HydrophobicContact CE-CG 4.48Å
82	C	97.8	Very high	95.5	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.02	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	20.1	-179.2	64.4	0	0	0	0	114.1	I64 P65 R80 V84 A95 C96	I64-C82 HydrophobicContact CG2-CB 3.75Å; P65-C82 WeakPolarHBondContact O-CA 3.47Å; P65-C82 PolarHBondContact O-N 3.47Å; R80-C82 PolarHBondContact O-N 2.87Å; C82-V84 PolarHBondContact O-N 3.43Å; C82-A95 HydrophobicContact CB-CB 4.21Å; C82-A95 VanDerWaalsContact O-CB 3.22Å; C82-A95 WeakPolarHBondContact O-CB 3.47Å; C82-A95 PolarHBondContact O-N 3.32Å; C82-C96 PolarHBondContact SG-SG 2.92Å
83	L	98.3	Very high	95.6	Very high	32 Å²	32	53.1 Å²	53.1	17%	0.168	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	127.5	177.1	-76.9	171.3	0	0	0	110.5	R80 M81 P92 V93 A116 V120	R80-L83 HydrophobicContact CB-CD1 4.06Å; R80-L83 HydrophobicContact CB-CG 4.21Å; R80-L83 WeakPolarHBondContact O-CG 3.2Å; R80-L83 PolarHBondContact O-N 3Å; M81-L83 PolarHBondContact O-N 3.39Å; L83-P92 HydrophobicContact CB-CB 4.04Å; L83-P92 HydrophobicContact CD2-CB 4.16Å; L83-V93 VanDerWaalsContact CA-O 3.31Å; L83-V93 WeakPolarHBondContact CA-O 3.29Å; L83-A116 HydrophobicContact CB-CB 3.92Å; L83-A116 HydrophobicContact CD1-CB 4.16Å; L83-V120 HydrophobicContact CD1-CG2 4.32Å
84	V	97.9	Very high	95.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.3	179.2	68.2	0	0	0	0	110.7	V53 C82 P92 V93 A95 I106 L107 T108 T113	V53-V84 HydrophobicContact CG1-CG1 3.76Å; C82-V84 PolarHBondContact O-N 3.43Å; V84-P92 CarbonylContact O-C 3.59Å; V84-P92 VanDerWaalsContact O-CA 3.27Å; V84-P92 WeakPolarHBondContact O-CA 3.5Å; V84-V93 HydrophobicContact CG1-CG2 4.09Å; V84-V93 PolarHBondContact N-O 2.65Å; V84-V93 PolarHBondContact O-N 3.23Å; V84-A95 HydrophobicContact CG1-CB 3.86Å; V84-I106 HydrophobicContact CG1-CG2 4.11Å; V84-I106 HydrophobicContact CG2-CG2 3.66Å; V84-L107 WeakPolarHBondContact CG2-O 3.41Å; V84-T108 HydrophobicContact CG2-CG2 4.48Å; V84-T113 HydrophobicContact CG2-CG2 4.24Å
85	E	98.1	Very high	95.8	Very high	27 Å²	27	50.6 Å²	50.6	13%	0.126	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	131.8	172.5	-178.3	169.8	-157.4	0	0	110.6	L107 S110 K112 T113	E85-L107 HydrophobicContact CB-CB 4.36Å; E85-L107 HydrophobicContact CG-CD1 4.35Å; E85-L107 PolarHBondContact O-N 2.77Å; E85-S110 WeakPolarHBondContact OE2-CB 3.37Å; E85-S110 PolarHBondContact OE2-OG 2.96Å; E85-K112 WeakPolarHBondContact OE1-CD 3.4Å; E85-K112 WeakPolarHBondContact OE1-CE 3.46Å; E85-K112 IonicContact OE1-NZ 2.64Å; E85-K112 PolarHBondContact OE1-NZ 3.38Å; E85-T113 WeakPolarHBondContact CB-OG1 3.24Å; E85-T113 PolarHBondContact N-OG1 2.93Å
86	I	97.1	Very high	95.8	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.8	165	-63.3	171.4	0	0	0	106.9	V53 K88 A89 V93 W104 N105	V53-I86 HydrophobicContact CG2-CD1 4.37Å; I86-K88 PolarHBondContact O-N 2.95Å; I86-A89 HydrophobicContact CB-CB 3.94Å; I86-A89 VanDerWaalsContact O-CB 3.26Å; I86-A89 WeakPolarHBondContact O-CB 3.46Å; I86-A89 PolarHBondContact O-N 3.33Å; I86-V93 HydrophobicContact CD1-CB 4.36Å; I86-V93 HydrophobicContact CD1-CG1 4.13Å; I86-V93 HydrophobicContact CD1-CG2 3.35Å; I86-V93 HydrophobicContact CG1-CG2 3.88Å; I86-W104 HydrophobicContact CD1-CD2 4Å; I86-W104 HydrophobicContact CD1-CE3 3.48Å; I86-W104 VanDerWaalsContact CD1-CE3 3.48Å; I86-W104 HydrophobicContact CD1-CH2 3.7Å; I86-W104 HydrophobicContact CD1-CZ2 4.15Å; I86-W104 HydrophobicContact CD1-CZ3 3.35Å; I86-W104 HydrophobicContact CG2-CB 4.23Å; I86-W104 HydrophobicContact CG2-CD2 4.01Å; I86-W104 HydrophobicContact CG2-CE3 4.48Å; I86-W104 HydrophobicContact CG2-CG 3.96Å; I86-N105 WeakPolarHBondContact CA-O 3.25Å
87	E	94.1	Very high	95.9	Very high	89 Å²	89	47.5 Å²	47.5	42%	0.416	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	133.1	176.4	-160.7	-165.2	138.7	0	0	110.6	A89 N105	E87-A89 PolarHBondContact O-N 3.13Å; E87-N105 HydrophobicContact CB-CB 3.87Å; E87-N105 PolarHBondContact N-O 3.17Å; E87-N105 WeakPolarHBondContact OE2-CB 3.48Å; E87-N105 PolarHBondContact OE2-ND2 2.85Å
88	K	91.3	Very high	96.1	Very high	194 Å²	194	50.4 Å²	50.4	84%	0.843	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	4.8	-176.2	-51.7	167.7	-173.3	166.5	0	115.1	I86	I86-K88 PolarHBondContact O-N 2.95Å
89	A	93.9	Very high	96.3	Very high	27 Å²	27	50.4 Å²	50.4	22%	0.223	27%	0.265	C	S	.	.			trans	-84.8	134.5	167.1	0	0	0	0	0	110.6	I86 E87 K91	I86-A89 HydrophobicContact CB-CB 3.94Å; I86-A89 VanDerWaalsContact O-CB 3.26Å; I86-A89 WeakPolarHBondContact O-CB 3.46Å; I86-A89 PolarHBondContact O-N 3.33Å; E87-A89 PolarHBondContact O-N 3.13Å; A89-K91 VanDerWaalsContact C-N 3.26Å; A89-K91 PolarHBondContact O-N 2.64Å
90	P	93.1	Very high	96.3	Very high	130 Å²	130	50.1 Å²	50.1	84%	0.844	26%	0.263	S	S	*	.	S	Bend	trans	-72.9	-17.8	-177	28.3	-35.1	0	0	0	113.7
91	K	95.4	Very high	96.1	Very high	155 Å²	155	49.1 Å²	49.1	67%	0.674	27%	0.265	S	S	*	.	S	Bend	trans	-141.2	150.5	-178.1	63	-178	-180	-178.9	0	111	A89	A89-K91 VanDerWaalsContact C-N 3.26Å; A89-K91 PolarHBondContact O-N 2.64Å
92	P	96.1	Very high	95.9	Very high	40 Å²	40	57.1 Å²	57.1	26%	0.26	30%	0.3	S	S	.	.			trans	-57.4	140.8	169.7	-23.6	34.5	0	0	0	111.4	L83 V84 A116	L83-P92 HydrophobicContact CB-CB 4.04Å; L83-P92 HydrophobicContact CD2-CB 4.16Å; V84-P92 CarbonylContact O-C 3.59Å; V84-P92 VanDerWaalsContact O-CA 3.27Å; V84-P92 WeakPolarHBondContact O-CA 3.5Å; P92-A116 HydrophobicContact CG-CB 4.45Å
93	V	96.9	Very high	95.7	Very high	19 Å²	19	59.2 Å²	59.2	12%	0.115	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	153.2	178.5	-57.4	0	0	0	0	110.5	L83 V84 I86 A95 M98	L83-V93 VanDerWaalsContact CA-O 3.31Å; L83-V93 WeakPolarHBondContact CA-O 3.29Å; V84-V93 HydrophobicContact CG1-CG2 4.09Å; V84-V93 PolarHBondContact N-O 2.65Å; V84-V93 PolarHBondContact O-N 3.23Å; I86-V93 HydrophobicContact CD1-CB 4.36Å; I86-V93 HydrophobicContact CD1-CG1 4.13Å; I86-V93 HydrophobicContact CD1-CG2 3.35Å; I86-V93 HydrophobicContact CG1-CG2 3.88Å; V93-A95 PolarHBondContact O-N 3.26Å; V93-M98 HydrophobicContact CB-CB 4.44Å; V93-M98 HydrophobicContact CB-CE 4.34Å; V93-M98 HydrophobicContact CB-CG 4.43Å; V93-M98 HydrophobicContact CG1-CE 4.31Å; V93-M98 HydrophobicContact CG2-CB 4.26Å; V93-M98 HydrophobicContact CG2-CG 4.27Å
94	A	97.5	Very high	95.6	Very high	10 Å²	10	60.1 Å²	60.1	8%	0.083	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	107.7	173.8	0	0	0	0	0	109.7	C96 A97 M98	A94-C96 PolarHBondContact O-N 3.28Å; A94-A97 PolarHBondContact O-N 3.5Å; A94-M98 WeakPolarHBondContact O-CB 3.41Å; A94-M98 PolarHBondContact O-N 3.18Å; A94-M98 VanDerWaalsContact O-N 3.11Å
95	A	97.4	Very high	95.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.4	-173	0	0	0	0	0	113.5	V53 L54 I64 C82 V84 V93 A97	V53-A95 HydrophobicContact CB-CB 4.1Å; V53-A95 HydrophobicContact CG1-CB 3.8Å; V53-A95 PolarHBondContact N-O 3.16Å; L54-A95 HydrophobicContact CB-CB 4.05Å; L54-A95 WeakPolarHBondContact CB-O 3.32Å; L54-A95 PolarHBondContact N-O 3Å; I64-A95 HydrophobicContact CD1-CB 3.57Å; I64-A95 HydrophobicContact CG2-CB 4.38Å; C82-A95 HydrophobicContact CB-CB 4.21Å; C82-A95 VanDerWaalsContact O-CB 3.22Å; C82-A95 WeakPolarHBondContact O-CB 3.47Å; C82-A95 PolarHBondContact O-N 3.32Å; V84-A95 HydrophobicContact CG1-CB 3.86Å; V93-A95 PolarHBondContact O-N 3.26Å; A95-A97 VanDerWaalsContact C-N 3.27Å; A95-A97 PolarHBondContact O-N 3.05Å
96	C	96.5	Very high	95.5	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.007	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-15.6	-176.7	68.7	0	0	0	0	114.8	L54 Y69 V75 C82 A94	L54-C96 HydrophobicContact CD1-CB 3.82Å; Y69-C96 HydrophobicContact CD2-CB 3.66Å; Y69-C96 HydrophobicContact CE2-CB 4.48Å; Y69-C96 HydrophobicContact CG-CB 3.71Å; V75-C96 VanDerWaalsContact CG1-O 3.28Å; V75-C96 WeakPolarHBondContact CG1-O 3.06Å; C82-C96 PolarHBondContact SG-SG 2.92Å; A94-C96 PolarHBondContact O-N 3.28Å
97	A	96.5	Very high	95.6	Very high	50 Å²	50	62.2 Å²	62.2	41%	0.413	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-23.5	-175.9	0	0	0	0	0	113.3	V75 A94 A95 P99	V75-A97 HydrophobicContact CG1-CB 3.61Å; A94-A97 PolarHBondContact O-N 3.5Å; A95-A97 VanDerWaalsContact C-N 3.27Å; A95-A97 PolarHBondContact O-N 3.05Å; A97-P99 VanDerWaalsContact O-CD 3.25Å; A97-P99 WeakPolarHBondContact O-CD 3.38Å
98	M	96.6	Very high	95.7	Very high	68 Å²	68	58.4 Å²	58.4	34%	0.335	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-78	116.3	-177.8	-171.8	59.9	62	0	0	109.7	T52 V53 V93 A94 W104	T52-M98 CarbonylContact C-O 3.51Å; T52-M98 WeakPolarHBondContact CA-O 3.48Å; V53-M98 HydrophobicContact CG2-CB 4.16Å; V53-M98 HydrophobicContact CG2-CG 4.24Å; V53-M98 WeakPolarHBondContact CG2-O 3.31Å; V53-M98 PolarHBondContact N-O 2.87Å; V93-M98 HydrophobicContact CB-CB 4.44Å; V93-M98 HydrophobicContact CB-CE 4.34Å; V93-M98 HydrophobicContact CB-CG 4.43Å; V93-M98 HydrophobicContact CG1-CE 4.31Å; V93-M98 HydrophobicContact CG2-CB 4.26Å; V93-M98 HydrophobicContact CG2-CG 4.27Å; A94-M98 WeakPolarHBondContact O-CB 3.41Å; A94-M98 PolarHBondContact O-N 3.18Å; A94-M98 VanDerWaalsContact O-N 3.11Å; M98-W104 HydrophobicContact CG-CH2 3.58Å; M98-W104 HydrophobicContact CG-CZ3 3.59Å; M98-W104 HydrophobicContact SD-CH2 3.87Å; M98-W104 HydrophobicContact SD-CZ3 4.43Å
99	P	96.2	Very high	96	Very high	65 Å²	65	54.3 Å²	54.3	42%	0.422	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-67.2	146.7	170.3	29.3	-34.3	0	0	0	109.7	T51 A97 W104	T51-P99 WeakPolarHBondContact O-CA 3.37Å; A97-P99 VanDerWaalsContact O-CD 3.25Å; A97-P99 WeakPolarHBondContact O-CD 3.38Å; P99-W104 VanDerWaalsContact O-CZ3 3.25Å; P99-W104 WeakPolarHBondContact O-CZ3 3.5Å
100	V	95.3	Very high	96.1	Very high	12 Å²	12	54.1 Å²	54.1	7%	0.073	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-72.3	147.6	177.5	-68	0	0	0	0	112.5	V38 V47 T51 V53 A56 I106	V38-V100 HydrophobicContact CG1-CB 3.76Å; V38-V100 HydrophobicContact CG1-CG1 4.21Å; V38-V100 HydrophobicContact CG1-CG2 4.06Å; V47-V100 HydrophobicContact CG2-CG2 3.41Å; V47-V100 VanDerWaalsContact CG2-CG2 3.41Å; T51-V100 WeakPolarHBondContact O-CG2 3.48Å; T51-V100 PolarHBondContact O-N 3.33Å; V53-V100 HydrophobicContact CB-CG1 4.44Å; V53-V100 HydrophobicContact CG2-CG1 3.91Å; A56-V100 HydrophobicContact CB-CG1 3.76Å; V100-I106 HydrophobicContact CG1-CD1 4.42Å
101	M	93.6	Very high	96.3	Very high	108 Å²	108	54.2 Å²	54.2	53%	0.532	29%	0.291	S	S	.	.			trans	-118.2	148.8	169.3	-65.1	-163	-84	0	0	110.9	G103 W104	M101-G103 PolarHBondContact O-N 3.47Å; M101-W104 HydrophobicContact CB-CD2 3.91Å; M101-W104 HydrophobicContact CB-CE3 4.44Å; M101-W104 HydrophobicContact CB-CG 4.19Å; M101-W104 HydrophobicContact CB-CZ2 4.28Å; M101-W104 HydrophobicContact CE-CH2 3.81Å; M101-W104 HydrophobicContact CE-CZ2 3.06Å; M101-W104 HydrophobicContact CG-CH2 4.44Å; M101-W104 HydrophobicContact CG-CZ2 4.19Å; M101-W104 VanDerWaalsContact O-CB 3.3Å; M101-W104 WeakPolarHBondContact O-CB 3.45Å; M101-W104 PolarHBondContact O-N 2.66Å; M101-W104 VanDerWaalsContact O-N 3.15Å; M101-W104 HydrophobicContact SD-CZ2 4.45Å
102	K	94.4	Very high	96.4	Very high	167 Å²	167	52.2 Å²	52.2	73%	0.726	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	131.4	-177.3	-172	174.2	178.8	172	0	111.4	V36 E37 W104	V36-K102 HydrophobicContact CG1-CB 3.87Å; E37-K102 WeakPolarHBondContact O-CA 3.3Å; K102-W104 VanDerWaalsContact C-N 3.28Å; K102-W104 PolarHBondContact O-N 3.08Å
103	G	92.7	Very high	96.5	Very high	47 Å²	47	50.3 Å²	50.3	49%	0.485	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	8.2	176.7	0	0	0	0	0	114.9	E37 M101	E37-G103 PolarHBondContact O-N 2.93Å; M101-G103 PolarHBondContact O-N 3.47Å
104	W	96.6	Very high	96.5	Very high	52 Å²	52	55.7 Å²	55.7	20%	0.197	29%	0.288	C	S	.	.			trans	-65.8	139.9	169.2	-83.6	6.9	0	0	0	111.6	F39 V53 I86 M98 P99 M101 K102	F39-W104 PolarHBondContact N-O 3.4Å; V53-W104 HydrophobicContact CG2-CE3 4.22Å; V53-W104 HydrophobicContact CG2-CZ3 3.96Å; I86-W104 HydrophobicContact CD1-CD2 4Å; I86-W104 HydrophobicContact CD1-CE3 3.48Å; I86-W104 VanDerWaalsContact CD1-CE3 3.48Å; I86-W104 HydrophobicContact CD1-CH2 3.7Å; I86-W104 HydrophobicContact CD1-CZ2 4.15Å; I86-W104 HydrophobicContact CD1-CZ3 3.35Å; I86-W104 HydrophobicContact CG2-CB 4.23Å; I86-W104 HydrophobicContact CG2-CD2 4.01Å; I86-W104 HydrophobicContact CG2-CE3 4.48Å; I86-W104 HydrophobicContact CG2-CG 3.96Å; M98-W104 HydrophobicContact CG-CH2 3.58Å; M98-W104 HydrophobicContact CG-CZ3 3.59Å; M98-W104 HydrophobicContact SD-CH2 3.87Å; M98-W104 HydrophobicContact SD-CZ3 4.43Å; P99-W104 VanDerWaalsContact O-CZ3 3.25Å; P99-W104 WeakPolarHBondContact O-CZ3 3.5Å; M101-W104 HydrophobicContact CB-CD2 3.91Å; M101-W104 HydrophobicContact CB-CE3 4.44Å; M101-W104 HydrophobicContact CB-CG 4.19Å; M101-W104 HydrophobicContact CB-CZ2 4.28Å; M101-W104 HydrophobicContact CE-CH2 3.81Å; M101-W104 HydrophobicContact CE-CZ2 3.06Å; M101-W104 HydrophobicContact CG-CH2 4.44Å; M101-W104 HydrophobicContact CG-CZ2 4.19Å; M101-W104 VanDerWaalsContact O-CB 3.3Å; M101-W104 WeakPolarHBondContact O-CB 3.45Å; M101-W104 PolarHBondContact O-N 2.66Å; M101-W104 VanDerWaalsContact O-N 3.15Å; M101-W104 HydrophobicContact SD-CZ2 4.45Å; K102-W104 VanDerWaalsContact C-N 3.28Å; K102-W104 PolarHBondContact O-N 3.08Å
105	N	97.2	Very high	96.5	Very high	27 Å²	27	61 Å²	61	14%	0.144	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	110.4	172.3	-175	18.9	0	0	0	109.4	F39 G42 I86 E87	F39-N105 HydrophobicContact CB-CB 4.04Å; F39-N105 CarbonylContact O-C 3.57Å; F39-N105 WeakPolarHBondContact O-CA 3.38Å; G42-N105 PolarHBondContact N-OD1 3.31Å; I86-N105 WeakPolarHBondContact CA-O 3.25Å; E87-N105 HydrophobicContact CB-CB 3.87Å; E87-N105 PolarHBondContact N-O 3.17Å; E87-N105 WeakPolarHBondContact OE2-CB 3.48Å; E87-N105 PolarHBondContact OE2-ND2 2.85Å
106	I	97.9	Very high	96.5	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115.8	-174.7	-57.4	153.7	0	0	0	107.7	F39 V40 D41 V53 V84 V100 T108	F39-I106 PolarHBondContact O-N 3.11Å; V40-I106 HydrophobicContact CG2-CD1 4.1Å; D41-I106 PolarHBondContact N-O 3.3Å; V53-I106 HydrophobicContact CG1-CD1 3.86Å; V53-I106 HydrophobicContact CG1-CG1 4Å; V53-I106 HydrophobicContact CG1-CG2 3.77Å; V53-I106 HydrophobicContact CG2-CD1 4.45Å; V84-I106 HydrophobicContact CG1-CG2 4.11Å; V84-I106 HydrophobicContact CG2-CG2 3.66Å; V100-I106 HydrophobicContact CG1-CD1 4.42Å; I106-T108 HydrophobicContact CG2-CG2 4.09Å
107	L	97.7	Very high	96.6	Very high	45 Å²	45	62.5 Å²	62.5	24%	0.236	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	92.1	-176.9	-56.3	178.6	0	0	0	110.1	D41 V84 E85 N109 T113	D41-L107 WeakPolarHBondContact OD1-CA 3.37Å; V84-L107 WeakPolarHBondContact CG2-O 3.41Å; E85-L107 HydrophobicContact CB-CB 4.36Å; E85-L107 HydrophobicContact CG-CD1 4.35Å; E85-L107 PolarHBondContact O-N 2.77Å; L107-N109 VanDerWaalsContact C-N 3.29Å; L107-N109 PolarHBondContact O-N 3.2Å; L107-T113 PolarHBondContact O-OG1 3.45Å
108	T	97.3	Very high	96.7	Very high	10 Å²	10	63.3 Å²	63.3	6%	0.061	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-16.7	-170.5	77.7	0	0	0	0	113.7	V40 D41 I62 V84 I106 T113 R117	V40-T108 HydrophobicContact CG1-CG2 3.92Å; D41-T108 PolarHBondContact OD1-N 3.39Å; D41-T108 PolarHBondContact OD2-OG1 3.18Å; I62-T108 HydrophobicContact CD1-CG2 4.27Å; I62-T108 HydrophobicContact CG2-CG2 4.16Å; V84-T108 HydrophobicContact CG2-CG2 4.48Å; I106-T108 HydrophobicContact CG2-CG2 4.09Å; T108-T113 VanDerWaalsContact O-CG2 3.22Å; T108-T113 WeakPolarHBondContact O-CG2 3.27Å; T108-R117 PolarHBondContact O-NH1 2.97Å; T108-R117 VanDerWaalsContact O-NH1 3.08Å; T108-R117 PolarHBondContact O-NH2 3.19Å
109	N	96.7	Very high	96.8	Very high	108 Å²	108	61.1 Å²	61.1	58%	0.578	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.6	20.8	-176.6	-160.2	23.9	0	0	0	113.9	L107 R114	L107-N109 VanDerWaalsContact C-N 3.29Å; L107-N109 PolarHBondContact O-N 3.2Å; N109-R114 WeakPolarHBondContact OD1-CD 3.33Å
110	S	97.1	Very high	96.9	Very high	22 Å²	22	59 Å²	59	15%	0.154	30%	0.295	C	S	.	.	S	Bend	trans	-67.2	160.7	174	77.9	0	0	0	0	111.9	E85 K112 T113 R114	E85-S110 WeakPolarHBondContact OE2-CB 3.37Å; E85-S110 PolarHBondContact OE2-OG 2.96Å; S110-K112 VanDerWaalsContact C-N 3.25Å; S110-K112 PolarHBondContact O-N 3.14Å; S110-T113 PolarHBondContact O-N 3.25Å; S110-T113 PolarHBondContact OG-N 3.5Å; S110-T113 PolarHBondContact OG-OG1 3.45Å; S110-R114 WeakPolarHBondContact O-CG 2.9Å; S110-R114 PolarHBondContact O-N 3.29Å
111	E	97	Very high	97	Very high	132 Å²	132	58.4 Å²	58.4	62%	0.617	29%	0.292	S	S	*	.	H	α-helix	trans	-57.6	-39.6	176.7	-169.4	-170.9	156.7	0	0	111.9	R114 K115	E111-R114 PolarHBondContact O-N 3.49Å; E111-K115 HydrophobicContact CG-CD 4.26Å; E111-K115 WeakPolarHBondContact O-CB 3.39Å; E111-K115 WeakPolarHBondContact O-CG 3.27Å; E111-K115 PolarHBondContact O-N 3.26Å; E111-K115 VanDerWaalsContact OE1-CE 3.32Å; E111-K115 WeakPolarHBondContact OE1-CE 3.47Å; E111-K115 IonicContact OE1-NZ 3.77Å; E111-K115 PolarHBondContact OE1-NZ 3.43Å
112	K	96.5	Very high	97.2	Very high	113 Å²	113	55.4 Å²	55.4	49%	0.491	28%	0.276	S	S	.	.	H	α-helix	trans	-67.2	-41.8	177.9	-62	-173.1	-161.9	147.4	0	111.8	E85 S110 A116	E85-K112 WeakPolarHBondContact OE1-CD 3.4Å; E85-K112 WeakPolarHBondContact OE1-CE 3.46Å; E85-K112 IonicContact OE1-NZ 2.64Å; E85-K112 PolarHBondContact OE1-NZ 3.38Å; S110-K112 VanDerWaalsContact C-N 3.25Å; S110-K112 PolarHBondContact O-N 3.14Å; K112-A116 WeakPolarHBondContact O-CB 3.29Å; K112-A116 PolarHBondContact O-N 3.18Å
113	T	97.9	Very high	97.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-45	176.4	-64.8	0	0	0	0	110.9	V84 E85 L107 T108 S110 A116 R117	V84-T113 HydrophobicContact CG2-CG2 4.24Å; E85-T113 WeakPolarHBondContact CB-OG1 3.24Å; E85-T113 PolarHBondContact N-OG1 2.93Å; L107-T113 PolarHBondContact O-OG1 3.45Å; T108-T113 VanDerWaalsContact O-CG2 3.22Å; T108-T113 WeakPolarHBondContact O-CG2 3.27Å; S110-T113 PolarHBondContact O-N 3.25Å; S110-T113 PolarHBondContact OG-N 3.5Å; S110-T113 PolarHBondContact OG-OG1 3.45Å; T113-A116 PolarHBondContact O-N 3.14Å; T113-R117 WeakPolarHBondContact O-CG 3.25Å; T113-R117 PolarHBondContact O-N 2.92Å; T113-R117 VanDerWaalsContact O-N 3.13Å
114	R	97.6	Very high	97.7	Very high	133 Å²	133	54.4 Å²	54.4	50%	0.502	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-49.8	177.7	-69.8	176.2	60.2	176.6	-0.5	112.3	N109 S110 E111 A116 R117 E118	N109-R114 WeakPolarHBondContact OD1-CD 3.33Å; S110-R114 WeakPolarHBondContact O-CG 2.9Å; S110-R114 PolarHBondContact O-N 3.29Å; E111-R114 PolarHBondContact O-N 3.49Å; R114-A116 VanDerWaalsContact C-N 3.27Å; R114-A116 PolarHBondContact O-N 2.94Å; R114-R117 PolarHBondContact O-N 3.27Å; R114-R117 VanDerWaalsContact O-N 3.11Å; R114-E118 WeakPolarHBondContact O-CG 3.25Å; R114-E118 PolarHBondContact O-N 2.86Å
115	K	97.9	Very high	97.7	Very high	121 Å²	121	54.7 Å²	54.7	53%	0.526	27%	0.265	S	S	.	.	H	α-helix	trans	-59.2	-36.5	176.7	-78.3	178.8	169.7	171	0	112.9	E111 G119	E111-K115 HydrophobicContact CG-CD 4.26Å; E111-K115 WeakPolarHBondContact O-CB 3.39Å; E111-K115 WeakPolarHBondContact O-CG 3.27Å; E111-K115 PolarHBondContact O-N 3.26Å; E111-K115 VanDerWaalsContact OE1-CE 3.32Å; E111-K115 WeakPolarHBondContact OE1-CE 3.47Å; E111-K115 IonicContact OE1-NZ 3.77Å; E111-K115 PolarHBondContact OE1-NZ 3.43Å; K115-G119 PolarHBondContact O-N 2.77Å
116	A	97.9	Very high	97.8	Very high	21 Å²	21	54.1 Å²	54.1	17%	0.174	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-43.3	175.8	0	0	0	0	0	111.8	L83 P92 K112 T113 R114 G119 V120	L83-A116 HydrophobicContact CB-CB 3.92Å; L83-A116 HydrophobicContact CD1-CB 4.16Å; P92-A116 HydrophobicContact CG-CB 4.45Å; K112-A116 WeakPolarHBondContact O-CB 3.29Å; K112-A116 PolarHBondContact O-N 3.18Å; T113-A116 PolarHBondContact O-N 3.14Å; R114-A116 VanDerWaalsContact C-N 3.27Å; R114-A116 PolarHBondContact O-N 2.94Å; A116-G119 PolarHBondContact O-N 3.27Å; A116-V120 WeakPolarHBondContact O-CG2 3.4Å; A116-V120 PolarHBondContact O-N 3.32Å
117	R	98.1	Very high	97.7	Very high	12 Å²	12	55.7 Å²	55.7	5%	0.045	27%	0.272	C	S	.	.	H	α-helix	trans	-64.7	-46.2	176.2	-69.9	171	-179.4	163.3	5.2	112	P65 M81 T108 T113 R114 G119 V120 M121 F150	P65-R117 HydrophobicContact CG-CG 4.22Å; M81-R117 HydrophobicContact CE-CB 4.12Å; M81-R117 HydrophobicContact CE-CG 4.4Å; T108-R117 PolarHBondContact O-NH1 2.97Å; T108-R117 VanDerWaalsContact O-NH1 3.08Å; T108-R117 PolarHBondContact O-NH2 3.19Å; T113-R117 WeakPolarHBondContact O-CG 3.25Å; T113-R117 PolarHBondContact O-N 2.92Å; T113-R117 VanDerWaalsContact O-N 3.13Å; R114-R117 PolarHBondContact O-N 3.27Å; R114-R117 VanDerWaalsContact O-N 3.11Å; R117-G119 VanDerWaalsContact C-N 3.33Å; R117-G119 PolarHBondContact O-N 3.27Å; R117-V120 PolarHBondContact O-N 3.41Å; R117-M121 WeakPolarHBondContact O-CB 3.41Å; R117-M121 PolarHBondContact O-N 3.06Å; R117-F150 HydrophobicContact CB-CB 4.35Å
118	E	98.2	Very high	97.8	Very high	67 Å²	67	54.6 Å²	54.6	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-57.5	-46.1	176.1	-72.4	168.5	-167.6	0	0	111.2	R114 M121 E122	R114-E118 WeakPolarHBondContact O-CG 3.25Å; R114-E118 PolarHBondContact O-N 2.86Å; E118-M121 PolarHBondContact O-N 3.32Å; E118-E122 WeakPolarHBondContact O-CB 3.32Å; E118-E122 PolarHBondContact O-N 3.44Å
119	G	98.2	Very high	97.8	Very high	22 Å²	22	54.9 Å²	54.9	23%	0.227	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-43.3	178.3	0	0	0	0	0	113.3	K115 A116 R117 E122 F123	K115-G119 PolarHBondContact O-N 2.77Å; A116-G119 PolarHBondContact O-N 3.27Å; R117-G119 VanDerWaalsContact C-N 3.33Å; R117-G119 PolarHBondContact O-N 3.27Å; G119-E122 PolarHBondContact O-N 3.38Å; G119-F123 WeakPolarHBondContact O-CD2 3.2Å; G119-F123 PolarHBondContact O-N 2.93Å; G119-F123 VanDerWaalsContact O-N 3.15Å
120	V	98.4	Very high	97.9	Very high	19 Å²	19	56.7 Å²	56.7	12%	0.115	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-45.4	176.1	170.6	0	0	0	0	111	C79 R80 M81 L83 A116 R117 E122 F123 L124	C79-V120 VanDerWaalsContact O-CG1 3.25Å; C79-V120 WeakPolarHBondContact O-CG1 3.06Å; R80-V120 HydrophobicContact CB-CG2 4.15Å; M81-V120 HydrophobicContact CB-CG1 4.19Å; M81-V120 HydrophobicContact SD-CB 4.3Å; M81-V120 HydrophobicContact SD-CG1 4.01Å; L83-V120 HydrophobicContact CD1-CG2 4.32Å; A116-V120 WeakPolarHBondContact O-CG2 3.4Å; A116-V120 PolarHBondContact O-N 3.32Å; R117-V120 PolarHBondContact O-N 3.41Å; V120-E122 VanDerWaalsContact C-N 3.29Å; V120-E122 PolarHBondContact O-N 3.38Å; V120-F123 PolarHBondContact O-N 3.27Å; V120-L124 HydrophobicContact CG1-CD1 3.98Å; V120-L124 HydrophobicContact CG1-CG 4.38Å; V120-L124 WeakPolarHBondContact O-CG 3.15Å; V120-L124 PolarHBondContact O-N 2.96Å
121	M	98.5	Very high	97.9	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-41.2	178	-173.7	59.6	65.4	0	0	111.6	F67 M81 R117 E118 F123 L124 L125 L143 Q146	F67-M121 HydrophobicContact CE2-CE 3.89Å; F67-M121 HydrophobicContact CZ-CE 3.74Å; M81-M121 HydrophobicContact CE-CE 3.6Å; M81-M121 HydrophobicContact SD-CE 4.12Å; R117-M121 WeakPolarHBondContact O-CB 3.41Å; R117-M121 PolarHBondContact O-N 3.06Å; E118-M121 PolarHBondContact O-N 3.32Å; M121-F123 PolarHBondContact O-N 3.46Å; M121-L124 PolarHBondContact O-N 2.84Å; M121-L125 HydrophobicContact CG-CD1 3.88Å; M121-L125 HydrophobicContact CG-CG 4.37Å; M121-L125 WeakPolarHBondContact O-CB 3.46Å; M121-L125 WeakPolarHBondContact O-CG 3.38Å; M121-L125 PolarHBondContact O-N 3.48Å; M121-L125 HydrophobicContact SD-CD1 4.06Å; M121-L125 HydrophobicContact SD-CG 4.12Å; M121-L143 HydrophobicContact CE-CD1 4.36Å; M121-L143 HydrophobicContact SD-CD1 3.63Å; M121-Q146 VanDerWaalsContact CE-C 3.49Å; M121-Q146 HydrophobicContact CE-CB 3.86Å
122	E	98.3	Very high	97.9	Very high	45 Å²	45	54 Å²	54	21%	0.21	27%	0.269	C	S	.	.	H	α-helix	trans	-59.7	-43.8	175.6	-171.4	-179.7	178.1	0	0	112.1	E118 G119 V120 L125 A126 R156	E118-E122 WeakPolarHBondContact O-CB 3.32Å; E118-E122 PolarHBondContact O-N 3.44Å; G119-E122 PolarHBondContact O-N 3.38Å; V120-E122 VanDerWaalsContact C-N 3.29Å; V120-E122 PolarHBondContact O-N 3.38Å; E122-L125 PolarHBondContact O-N 3.27Å; E122-A126 WeakPolarHBondContact O-CB 3.38Å; E122-A126 PolarHBondContact O-N 2.95Å; E122-R156 IonicContact OE1-CZ 3.62Å; E122-R156 IonicContact OE1-NE 3.67Å; E122-R156 PolarHBondContact OE1-NE 2.95Å; E122-R156 IonicContact OE1-NH2 3.24Å; E122-R156 PolarHBondContact OE1-NH2 3.3Å; E122-R156 IonicContact OE2-CZ 3.9Å; E122-R156 IonicContact OE2-NE 2.7Å; E122-R156 IonicContact OE2-NH2 3.41Å; E122-R156 PolarHBondContact OE2-NH2 2.98Å
123	F	98.1	Very high	98	Very high	165 Å²	165	53.5 Å²	53.5	72%	0.724	28%	0.278	S	S	*	.	H	α-helix	trans	-64.8	-39.1	176.2	-70.2	-56.4	0	0	0	113	G119 V120 M121 A126	G119-F123 WeakPolarHBondContact O-CD2 3.2Å; G119-F123 PolarHBondContact O-N 2.93Å; G119-F123 VanDerWaalsContact O-N 3.15Å; V120-F123 PolarHBondContact O-N 3.27Å; M121-F123 PolarHBondContact O-N 3.46Å; F123-A126 PolarHBondContact O-N 3.3Å
124	L	98	Very high	97.9	Very high	27 Å²	27	58.1 Å²	58.1	14%	0.141	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-43.2	176.8	-67.7	170.4	0	0	0	111	F67 V120 M121 H128 L143 I181	F67-L124 HydrophobicContact CD2-CD1 3.52Å; F67-L124 HydrophobicContact CE2-CD1 3.29Å; F67-L124 HydrophobicContact CZ-CD1 4.14Å; V120-L124 HydrophobicContact CG1-CD1 3.98Å; V120-L124 HydrophobicContact CG1-CG 4.38Å; V120-L124 WeakPolarHBondContact O-CG 3.15Å; V120-L124 PolarHBondContact O-N 2.96Å; M121-L124 PolarHBondContact O-N 2.84Å; L124-H128 WeakPolarHBondContact O-CB 3.43Å; L124-L143 HydrophobicContact CB-CD1 4.18Å; L124-L143 HydrophobicContact CD1-CD1 4.33Å; L124-I181 HydrophobicContact CD2-CB 4.01Å; L124-I181 HydrophobicContact CD2-CD1 4.4Å; L124-I181 HydrophobicContact CD2-CG2 4.28Å
125	L	98.2	Very high	97.9	Very high	59 Å²	59	52.1 Å²	52.1	31%	0.309	28%	0.279	S	S	.	.	H	α-helix	trans	-79.6	-19.1	-178.9	-64.2	176	0	0	0	113.9	M121 E122 N127 H128 L143 S147 K161	M121-L125 HydrophobicContact CG-CD1 3.88Å; M121-L125 HydrophobicContact CG-CG 4.37Å; M121-L125 WeakPolarHBondContact O-CB 3.46Å; M121-L125 WeakPolarHBondContact O-CG 3.38Å; M121-L125 PolarHBondContact O-N 3.48Å; M121-L125 HydrophobicContact SD-CD1 4.06Å; M121-L125 HydrophobicContact SD-CG 4.12Å; E122-L125 PolarHBondContact O-N 3.27Å; L125-N127 VanDerWaalsContact C-N 3.34Å; L125-N127 PolarHBondContact O-N 3.45Å; L125-H128 PolarHBondContact O-N 3.25Å; L125-L143 HydrophobicContact CD2-CD1 4.18Å; L125-L143 HydrophobicContact CD2-CD2 4.09Å; L125-L143 HydrophobicContact CD2-CG 4.09Å; L125-S147 WeakPolarHBondContact CD1-OG 3.44Å; L125-K161 PolarHBondContact O-NZ 2.92Å
126	A	97.6	Very high	97.8	Very high	14 Å²	14	46.5 Å²	46.5	12%	0.116	26%	0.255	C	S	.	.	H	α-helix	trans	-54.9	-48.3	-179.8	0	0	0	0	0	111.7	E122 F123 F157 K161	E122-A126 WeakPolarHBondContact O-CB 3.38Å; E122-A126 PolarHBondContact O-N 2.95Å; F123-A126 PolarHBondContact O-N 3.3Å; A126-F157 HydrophobicContact CB-CB 4.29Å; A126-F157 HydrophobicContact CB-CD1 4.44Å; A126-F157 HydrophobicContact CB-CD2 4.19Å; A126-F157 HydrophobicContact CB-CG 4.06Å; A126-F157 WeakPolarHBondContact O-CD1 3.49Å; A126-F157 VanDerWaalsContact O-CE1 3.31Å; A126-F157 WeakPolarHBondContact O-CE1 3.46Å; A126-K161 WeakPolarHBondContact O-CG 3.4Å; A126-K161 PolarHBondContact O-NZ 3.44Å
127	N	97.4	Very high	97.7	Very high	33 Å²	33	46.8 Å²	46.8	18%	0.176	25%	0.253	C	S	.	.	S	Bend	trans	-104.7	2.1	179.8	-81.7	-45.9	0	0	0	114.4	L125 R162 N206	L125-N127 VanDerWaalsContact C-N 3.34Å; L125-N127 PolarHBondContact O-N 3.45Å; N127-R162 HydrophobicContact CB-CG 4.05Å; N127-R162 PolarHBondContact OD1-N 3.19Å; N127-N206 PolarHBondContact ND2-ND2 2.9Å; N127-N206 PolarHBondContact ND2-OD1 3.49Å
128	H	98.4	Very high	97.6	Very high	22 Å²	22	46.4 Å²	46.4	10%	0.102	25%	0.253	C	S	.	.	S	Bend	trans	-75.6	139.4	175.9	-163.9	80.9	0	0	0	111	L124 L125 K161 R179	L124-H128 WeakPolarHBondContact O-CB 3.43Å; L125-H128 PolarHBondContact O-N 3.25Å; H128-K161 WeakPolarHBondContact O-CD 3.26Å; H128-K161 WeakPolarHBondContact O-CE 3.34Å; H128-K161 PolarHBondContact O-NZ 2.87Å; H128-R179 PolarHBondContact CE1-O 3.01Å; H128-R179 PolarHBondContact ND1-O 3.12Å; H128-R179 VanDerWaalsContact ND1-O 3.16Å
129	P	98.1	Very high	97.6	Very high	17 Å²	17	45 Å²	45	11%	0.11	26%	0.257	C	S	.	.			trans	-74.3	157.8	-178.5	31.7	-37.2	0	0	0	112	D131 T178 R179	P129-D131 HydrophobicContact CB-CB 4.37Å; P129-D131 HydrophobicContact CG-CB 4.23Å; P129-D131 PolarHBondContact O-N 3.38Å; P129-T178 HydrophobicContact CB-CG2 3.92Å; P129-T178 VanDerWaalsContact CD-O 3.23Å; P129-T178 WeakPolarHBondContact CD-O 3.38Å; P129-T178 HydrophobicContact CG-CG2 3.84Å; P129-R179 HydrophobicContact CG-CB 4.38Å; P129-R179 HydrophobicContact CG-CG 3.61Å
130	L	97.8	Very high	97.5	Very high	146 Å²	146	46 Å²	46	76%	0.764	26%	0.255	S	S	*	.	S	Bend	trans	-83.9	45.4	176.7	-66.2	93.6	0	0	0	112	C132 K161	L130-C132 PolarHBondContact O-N 2.75Å; L130-K161 HydrophobicContact CD1-CD 4.27Å
131	D	97.9	Very high	97.5	Very high	40 Å²	40	45.2 Å²	45.2	21%	0.214	25%	0.251	C	S	.	.			trans	-89.1	0.6	-171.1	-86.5	14	0	0	0	113.9	P129 P133 I134 C135 R179	P129-D131 HydrophobicContact CB-CB 4.37Å; P129-D131 HydrophobicContact CG-CB 4.23Å; P129-D131 PolarHBondContact O-N 3.38Å; D131-P133 VanDerWaalsContact C-N 3.25Å; D131-I134 HydrophobicContact CB-CD1 4.47Å; D131-I134 HydrophobicContact CB-CG1 4.08Å; D131-I134 CarbonylContact O-C 3.5Å; D131-I134 VanDerWaalsContact O-CG1 3.28Å; D131-I134 WeakPolarHBondContact O-CG1 3.43Å; D131-I134 PolarHBondContact O-N 2.83Å; D131-C135 VanDerWaalsContact O-CB 3.22Å; D131-C135 WeakPolarHBondContact O-CB 3.42Å; D131-C135 PolarHBondContact O-N 3.26Å; D131-R179 HydrophobicContact CB-CG 4.45Å; D131-R179 IonicContact OD2-CZ 3.11Å; D131-R179 IonicContact OD2-NE 2.77Å; D131-R179 PolarHBondContact OD2-NE 3.16Å; D131-R179 IonicContact OD2-NH2 3.83Å; D131-R179 PolarHBondContact OD2-NH2 2.87Å
132	C	97.9	Very high	97.4	Very high	58 Å²	58	48 Å²	48	39%	0.392	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-41.3	-172.6	-63.9	0	0	0	0	114.1	L130 I134 Q144	L130-C132 PolarHBondContact O-N 2.75Å; C132-I134 PolarHBondContact O-N 3.15Å; C132-Q144 PolarHBondContact SG-NE2 3.28Å
133	P	97.3	Very high	97.5	Very high	102 Å²	102	46 Å²	46	66%	0.662	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-31	177.8	-21.9	35.1	0	0	0	115	D131 R245	D131-P133 VanDerWaalsContact C-N 3.25Å; P133-R245 PolarHBondContact O-NH2 3.37Å
134	I	96.9	Very high	97.5	Very high	97 Å²	97	40.4 Å²	40.4	50%	0.497	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-1.9	-178.3	63	163.5	0	0	0	112.6	D131 C132 F242	D131-I134 HydrophobicContact CB-CD1 4.47Å; D131-I134 HydrophobicContact CB-CG1 4.08Å; D131-I134 CarbonylContact O-C 3.5Å; D131-I134 VanDerWaalsContact O-CG1 3.28Å; D131-I134 WeakPolarHBondContact O-CG1 3.43Å; D131-I134 PolarHBondContact O-N 2.83Å; C132-I134 PolarHBondContact O-N 3.15Å; I134-F242 VanDerWaalsContact O-CE1 3.27Å; I134-F242 WeakPolarHBondContact O-CE1 3.5Å
135	C	97.6	Very high	97.5	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.041	24%	0.244	C	C	.	.			trans	-85	120.9	-179.6	177.6	0	0	0	0	109.9	D131 Q137 G138 R245	D131-C135 VanDerWaalsContact O-CB 3.22Å; D131-C135 WeakPolarHBondContact O-CB 3.42Å; D131-C135 PolarHBondContact O-N 3.26Å; C135-Q137 PolarHBondContact O-N 3.41Å; C135-G138 PolarHBondContact O-N 2.84Å; C135-R245 PolarHBondContact O-NH1 3.26Å
136	D	95.5	Very high	97.5	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-37.7	-178.5	-66.3	-49.1	0	0	0	113	G138 T236 F242 R245	D136-G138 PolarHBondContact O-N 3.35Å; D136-T236 HydrophobicContact CB-CG2 4.06Å; D136-T236 PolarHBondContact OD2-OG1 3.07Å; D136-F242 WeakPolarHBondContact OD1-CD1 3.22Å; D136-F242 PolarHBondContact OD1-N 2.81Å; D136-R245 PolarHBondContact O-NH1 3.22Å
137	Q	95.8	Very high	97.5	Very high	27 Å²	27	41.2 Å²	41.2	13%	0.126	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-8.6	177.8	-155.2	73.7	15.9	0	0	113.3	C135 G139 E140 C141	C135-Q137 PolarHBondContact O-N 3.41Å; Q137-G139 PolarHBondContact O-N 2.91Å; Q137-E140 HydrophobicContact CG-CG 4.23Å; Q137-E140 PolarHBondContact NE2-O 3.26Å; Q137-E140 VanDerWaalsContact NE2-O 3.12Å; Q137-E140 CarbonylContact O-C 3.37Å; Q137-E140 PolarHBondContact O-N 3.26Å; Q137-C141 HydrophobicContact CB-CB 4.38Å; Q137-C141 HydrophobicContact CG-CB 3.94Å; Q137-C141 WeakPolarHBondContact O-CB 3.4Å; Q137-C141 PolarHBondContact O-N 2.93Å; Q137-C141 VanDerWaalsContact O-N 3.14Å
138	G	96.6	Very high	97.5	Very high	4 Å²	4	47.3 Å²	47.3	4%	0.041	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	122.5	177.3	0	0	0	0	0	111	C135 D136 W247	C135-G138 PolarHBondContact O-N 2.84Å; D136-G138 PolarHBondContact O-N 3.35Å; G138-W247 VanDerWaalsContact O-CZ3 3.24Å; G138-W247 WeakPolarHBondContact O-CZ3 3.29Å
139	G	96.2	Very high	97.4	Very high	38 Å²	38	52.9 Å²	52.9	39%	0.392	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.9	-8.7	-172.8	0	0	0	0	0	116.2	Q137	Q137-G139 PolarHBondContact O-N 2.91Å
140	E	96.7	Very high	97.4	Very high	41 Å²	41	54.8 Å²	54.8	19%	0.192	30%	0.298	C	S	.	.	S	Bend	trans	-142.7	32	173.1	64.3	-177.5	166.5	0	0	111.1	Q137 P246 R276	Q137-E140 HydrophobicContact CG-CG 4.23Å; Q137-E140 PolarHBondContact NE2-O 3.26Å; Q137-E140 VanDerWaalsContact NE2-O 3.12Å; Q137-E140 CarbonylContact O-C 3.37Å; Q137-E140 PolarHBondContact O-N 3.26Å; E140-P246 HydrophobicContact CB-CB 3.97Å; E140-P246 HydrophobicContact CB-CG 3.99Å; E140-P246 HydrophobicContact CG-CB 3.97Å; E140-P246 HydrophobicContact CG-CG 3.86Å; E140-R276 IonicContact OE1-CZ 3.62Å; E140-R276 IonicContact OE1-NH1 2.84Å; E140-R276 PolarHBondContact OE1-NH1 2.97Å; E140-R276 IonicContact OE1-NH2 2.93Å; E140-R276 PolarHBondContact OE1-NH2 2.9Å; E140-R276 IonicContact OE2-CZ 3.71Å; E140-R276 IonicContact OE2-NH1 3.72Å; E140-R276 IonicContact OE2-NH2 3.4Å; E140-R276 PolarHBondContact OE2-NH2 3.23Å
141	C	98.2	Very high	97.3	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.027	27%	0.271	C	S	.	.			trans	-99.7	119.3	-175.2	179.2	0	0	0	0	109.6	Q137 L143 Q144 D145	Q137-C141 HydrophobicContact CB-CB 4.38Å; Q137-C141 HydrophobicContact CG-CB 3.94Å; Q137-C141 WeakPolarHBondContact O-CB 3.4Å; Q137-C141 PolarHBondContact O-N 2.93Å; Q137-C141 VanDerWaalsContact O-N 3.14Å; C141-L143 PolarHBondContact O-N 3.42Å; C141-L143 VanDerWaalsContact O-N 3.11Å; C141-Q144 HydrophobicContact CB-CB 4Å; C141-Q144 HydrophobicContact CB-CG 3.84Å; C141-Q144 PolarHBondContact O-N 3.22Å; C141-D145 PolarHBondContact O-N 3.46Å
142	D	97.9	Very high	97.2	Very high	58 Å²	58	49.3 Å²	49.3	31%	0.31	28%	0.278	S	S	.	.	H	α-helix	trans	-51.9	-38.4	175.9	-74.6	-22.3	0	0	0	111.3	F67 Q146 R185 P231	F67-D142 HydrophobicContact CD1-CB 4.34Å; F67-D142 HydrophobicContact CE1-CB 4.04Å; D142-Q146 WeakPolarHBondContact O-CB 3.37Å; D142-Q146 VanDerWaalsContact O-CG 3.22Å; D142-Q146 WeakPolarHBondContact O-CG 3.26Å; D142-Q146 PolarHBondContact O-N 2.8Å; D142-R185 IonicContact OD2-NH1 3.75Å; D142-P231 HydrophobicContact CB-CB 3.89Å; D142-P231 WeakPolarHBondContact CB-O 3.41Å; D142-P231 PolarHBondContact N-O 3.05Å; D142-P231 WeakPolarHBondContact OD2-CB 3.49Å
143	L	98.4	Very high	97.2	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-67.4	-38.1	-179.8	-177.4	65	0	0	0	112.2	F67 M121 L124 L125 C141 S147 I181 V232	F67-L143 HydrophobicContact CE1-CB 3.99Å; F67-L143 HydrophobicContact CE1-CD1 4.03Å; F67-L143 HydrophobicContact CE2-CD1 4.35Å; F67-L143 HydrophobicContact CZ-CB 4.34Å; F67-L143 HydrophobicContact CZ-CD1 3.63Å; M121-L143 HydrophobicContact CE-CD1 4.36Å; M121-L143 HydrophobicContact SD-CD1 3.63Å; L124-L143 HydrophobicContact CB-CD1 4.18Å; L124-L143 HydrophobicContact CD1-CD1 4.33Å; L125-L143 HydrophobicContact CD2-CD1 4.18Å; L125-L143 HydrophobicContact CD2-CD2 4.09Å; L125-L143 HydrophobicContact CD2-CG 4.09Å; C141-L143 PolarHBondContact O-N 3.42Å; C141-L143 VanDerWaalsContact O-N 3.11Å; L143-S147 WeakPolarHBondContact O-CB 3.46Å; L143-S147 PolarHBondContact O-N 2.88Å; L143-I181 HydrophobicContact CD2-CG2 4.13Å; L143-V232 HydrophobicContact CB-CG1 3.75Å; L143-V232 HydrophobicContact CD2-CG1 3.88Å; L143-V232 HydrophobicContact CG-CG1 4.44Å
144	Q	98.3	Very high	97.1	Very high	48 Å²	48	56.1 Å²	56.1	22%	0.224	29%	0.292	C	S	.	.	H	α-helix	trans	-68	-51.4	175.7	-70	176.8	-2.6	0	0	110	C132 C141 Q146 S147 M148	C132-Q144 PolarHBondContact SG-NE2 3.28Å; C141-Q144 HydrophobicContact CB-CB 4Å; C141-Q144 HydrophobicContact CB-CG 3.84Å; C141-Q144 PolarHBondContact O-N 3.22Å; Q144-Q146 PolarHBondContact O-N 2.85Å; Q144-S147 WeakPolarHBondContact O-CB 3.43Å; Q144-S147 PolarHBondContact O-N 2.71Å; Q144-M148 WeakPolarHBondContact O-CG 3.28Å; Q144-M148 PolarHBondContact O-N 2.93Å
145	D	98.1	Very high	97.1	Very high	75 Å²	75	55.4 Å²	55.4	40%	0.401	30%	0.296	S	S	.	.	H	α-helix	trans	-63.9	-45.8	-175.1	-67.7	-16.5	0	0	0	111.6	C141 S147 M148 Q149	C141-D145 PolarHBondContact O-N 3.46Å; D145-S147 VanDerWaalsContact C-N 3.35Å; D145-S147 PolarHBondContact O-N 2.68Å; D145-M148 PolarHBondContact O-N 3.47Å; D145-Q149 WeakPolarHBondContact O-CB 3.43Å; D145-Q149 WeakPolarHBondContact O-CG 3.38Å; D145-Q149 PolarHBondContact O-N 3.08Å
146	Q	97.9	Very high	97	Very high	20 Å²	20	63.8 Å²	63.8	9%	0.093	33%	0.327	C	S	.	.	H	α-helix	trans	-72.7	-27.5	178.7	-63.9	179.3	35.3	0	0	112.4	P65 R66 F67 M81 M121 D142 Q144 F150 G151	P65-Q146 HydrophobicContact CB-CG 4.37Å; P65-Q146 VanDerWaalsContact CB-OE1 3.3Å; R66-Q146 PolarHBondContact O-NE2 2.73Å; F67-Q146 HydrophobicContact CZ-CB 4.13Å; M81-Q146 HydrophobicContact CE-CB 4.44Å; M121-Q146 VanDerWaalsContact CE-C 3.49Å; M121-Q146 HydrophobicContact CE-CB 3.86Å; D142-Q146 WeakPolarHBondContact O-CB 3.37Å; D142-Q146 VanDerWaalsContact O-CG 3.22Å; D142-Q146 WeakPolarHBondContact O-CG 3.26Å; D142-Q146 PolarHBondContact O-N 2.8Å; Q144-Q146 PolarHBondContact O-N 2.85Å; Q146-F150 HydrophobicContact CB-CD2 4.29Å; Q146-F150 WeakPolarHBondContact O-CB 3.36Å; Q146-F150 PolarHBondContact O-N 3.2Å; Q146-G151 PolarHBondContact O-N 3.48Å
147	S	98.2	Very high	97.1	Very high	22 Å²	22	66.8 Å²	66.8	15%	0.154	34%	0.34	C	S	.	.	H	α-helix	trans	-65.3	-43.8	170.1	-179.6	0	0	0	0	110.9	L125 L143 Q144 D145 Q149 G151	L125-S147 WeakPolarHBondContact CD1-OG 3.44Å; L143-S147 WeakPolarHBondContact O-CB 3.46Å; L143-S147 PolarHBondContact O-N 2.88Å; Q144-S147 WeakPolarHBondContact O-CB 3.43Å; Q144-S147 PolarHBondContact O-N 2.71Å; D145-S147 VanDerWaalsContact C-N 3.35Å; D145-S147 PolarHBondContact O-N 2.68Å; S147-Q149 VanDerWaalsContact C-N 3.32Å; S147-Q149 PolarHBondContact O-N 3.32Å; S147-G151 VanDerWaalsContact O-CA 3.22Å; S147-G151 WeakPolarHBondContact O-CA 3.27Å; S147-G151 PolarHBondContact O-N 2.91Å
148	M	98	Very high	97.1	Very high	162 Å²	162	71.6 Å²	71.6	80%	0.798	37%	0.371	S	S	*	.	H	α-helix	trans	-67.9	-32.3	179.4	-68.2	-59.2	-64	0	0	112.5	Q144 D145	Q144-M148 WeakPolarHBondContact O-CG 3.28Å; Q144-M148 PolarHBondContact O-N 2.93Å; D145-M148 PolarHBondContact O-N 3.47Å
149	Q	97	Very high	97.1	Very high	138 Å²	138	78 Å²	78	65%	0.645	40%	0.4	S	S	*	.	H	α-helix	trans	-88.1	-41	-178.2	-69.4	179.4	20	0	0	114.3	D145 S147	D145-Q149 WeakPolarHBondContact O-CB 3.43Å; D145-Q149 WeakPolarHBondContact O-CG 3.38Å; D145-Q149 PolarHBondContact O-N 3.08Å; S147-Q149 VanDerWaalsContact C-N 3.32Å; S147-Q149 PolarHBondContact O-N 3.32Å
150	F	97.2	Very high	97.1	Very high	58 Å²	58	79.6 Å²	79.6	25%	0.254	42%	0.417	S	S	.	.	H	α-helix	trans	-124.3	-9.9	-169.1	-56	-73.7	0	0	0	114	P65 M81 R117 Q146	P65-F150 HydrophobicContact CB-CD2 3.78Å; P65-F150 HydrophobicContact CB-CE2 3.85Å; P65-F150 HydrophobicContact CB-CG 4.44Å; P65-F150 HydrophobicContact CG-CD1 4.49Å; P65-F150 HydrophobicContact CG-CD2 4.01Å; P65-F150 HydrophobicContact CG-CE2 4.12Å; P65-F150 HydrophobicContact CG-CG 4.21Å; P65-F150 HydrophobicContact CG-CZ 4.39Å; M81-F150 HydrophobicContact CE-CB 3.85Å; M81-F150 HydrophobicContact CE-CD2 4.5Å; M81-F150 HydrophobicContact CE-CG 4.48Å; R117-F150 HydrophobicContact CB-CB 4.35Å; Q146-F150 HydrophobicContact CB-CD2 4.29Å; Q146-F150 WeakPolarHBondContact O-CB 3.36Å; Q146-F150 PolarHBondContact O-N 3.2Å
151	G	95.7	Very high	97.1	Very high	19 Å²	19	81.4 Å²	81.4	20%	0.196	42%	0.424	C	S	.	.	S	Bend	trans	-83.1	170.7	178.6	0	0	0	0	0	113.6	Q146 S147	Q146-G151 PolarHBondContact O-N 3.48Å; S147-G151 VanDerWaalsContact O-CA 3.22Å; S147-G151 WeakPolarHBondContact O-CA 3.27Å; S147-G151 PolarHBondContact O-N 2.91Å
152	S	96.3	Very high	97	Very high	52 Å²	52	83.1 Å²	83.1	36%	0.364	43%	0.43	S	S	.	.			trans	-73.1	155.4	167.7	173.8	0	0	0	0	111	R154	S152-R154 VanDerWaalsContact C-N 3.3Å; S152-R154 PolarHBondContact O-N 3.2Å; S152-R154 PolarHBondContact OG-N 3.09Å; S152-R154 PolarHBondContact OG-O 2.83Å
153	D	96.7	Very high	96.9	Very high	131 Å²	131	84.4 Å²	84.4	70%	0.701	45%	0.449	S	S	*	.	S	Bend	trans	-77.4	-13	178.9	71.2	-21.1	0	0	0	114
154	R	95.8	Very high	96.8	Very high	172 Å²	172	85 Å²	85	65%	0.649	45%	0.453	S	S	*	.	S	Bend	trans	-141.6	149	-173.3	69.4	-167.2	68.9	-162.5	-6	112.9	S152	S152-R154 VanDerWaalsContact C-N 3.3Å; S152-R154 PolarHBondContact O-N 3.2Å; S152-R154 PolarHBondContact OG-N 3.09Å; S152-R154 PolarHBondContact OG-O 2.83Å
155	S	96.6	Very high	96.6	Very high	82 Å²	82	89.3 Å²	89.3	57%	0.573	47%	0.472	S	S	*	.			trans	-86.9	146.6	169.9	-178.8	0	0	0	0	111.1	F157	S155-F157 PolarHBondContact OG-N 2.74Å; S155-F157 PolarHBondContact OG-O 2.92Å
156	R	96.8	Very high	96.3	Very high	182 Å²	182	89.6 Å²	89.6	69%	0.687	47%	0.474	S	S	*	.			trans	-106.9	-8.8	165.2	-60.1	179.3	-63	168.7	5.1	112.5	E122 T158	E122-R156 IonicContact OE1-CZ 3.62Å; E122-R156 IonicContact OE1-NE 3.67Å; E122-R156 PolarHBondContact OE1-NE 2.95Å; E122-R156 IonicContact OE1-NH2 3.24Å; E122-R156 PolarHBondContact OE1-NH2 3.3Å; E122-R156 IonicContact OE2-CZ 3.9Å; E122-R156 IonicContact OE2-NE 2.7Å; E122-R156 IonicContact OE2-NH2 3.41Å; E122-R156 PolarHBondContact OE2-NH2 2.98Å; R156-T158 PolarHBondContact O-N 3.12Å
157	F	97.4	Very high	95.9	Very high	66 Å²	66	91 Å²	91	29%	0.289	48%	0.48	S	S	.	.			trans	-84.7	112.7	-177.7	-171.4	-97.1	0	0	0	110.3	A126 S155 E159 K161	A126-F157 HydrophobicContact CB-CB 4.29Å; A126-F157 HydrophobicContact CB-CD1 4.44Å; A126-F157 HydrophobicContact CB-CD2 4.19Å; A126-F157 HydrophobicContact CB-CG 4.06Å; A126-F157 WeakPolarHBondContact O-CD1 3.49Å; A126-F157 VanDerWaalsContact O-CE1 3.31Å; A126-F157 WeakPolarHBondContact O-CE1 3.46Å; S155-F157 PolarHBondContact OG-N 2.74Å; S155-F157 PolarHBondContact OG-O 2.92Å; F157-E159 HydrophobicContact CE1-CB 4.13Å; F157-E159 WeakPolarHBondContact CE1-O 3.34Å; F157-E159 HydrophobicContact CE2-CB 3.97Å; F157-E159 HydrophobicContact CE2-CG 4.31Å; F157-E159 HydrophobicContact CZ-CB 3.7Å; F157-K161 HydrophobicContact CD1-CG 4.48Å; F157-K161 HydrophobicContact CE1-CG 3.99Å
158	T	95.5	Very high	95.6	Very high	128 Å²	128	92.1 Å²	92.1	79%	0.785	48%	0.484	S	S	*	.			trans	-115.7	2.1	-178.5	52.3	0	0	0	0	113.5	R156	R156-T158 PolarHBondContact O-N 3.12Å
159	E	96.1	Very high	95.3	Very high	139 Å²	139	84.7 Å²	84.7	65%	0.65	45%	0.447	S	S	*	.	S	Bend	trans	-81.6	173.2	-179.4	-54.8	-57.1	144.7	0	0	112.1	F157 K161	F157-E159 HydrophobicContact CE1-CB 4.13Å; F157-E159 WeakPolarHBondContact CE1-O 3.34Å; F157-E159 HydrophobicContact CE2-CB 3.97Å; F157-E159 HydrophobicContact CE2-CG 4.31Å; F157-E159 HydrophobicContact CZ-CB 3.7Å; E159-K161 PolarHBondContact O-N 3.33Å
160	G	95.9	Very high	95	Very high	72 Å²	72	78.3 Å²	78.3	74%	0.742	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-62.5	125	172.4	0	0	0	0	0	112.1
161	K	97.6	Very high	94.8	Very high	78 Å²	78	76.3 Å²	76.3	34%	0.339	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-75.8	147.9	173.2	-64.7	173.1	175.9	-82.3	0	110.1	L125 A126 H128 L130 F157 E159	L125-K161 PolarHBondContact O-NZ 2.92Å; A126-K161 WeakPolarHBondContact O-CG 3.4Å; A126-K161 PolarHBondContact O-NZ 3.44Å; H128-K161 WeakPolarHBondContact O-CD 3.26Å; H128-K161 WeakPolarHBondContact O-CE 3.34Å; H128-K161 PolarHBondContact O-NZ 2.87Å; L130-K161 HydrophobicContact CD1-CD 4.27Å; F157-K161 HydrophobicContact CD1-CG 4.48Å; F157-K161 HydrophobicContact CE1-CG 3.99Å; E159-K161 PolarHBondContact O-N 3.33Å
162	R	95.6	Very high	94.8	Very high	40 Å²	40	75.7 Å²	75.7	15%	0.151	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-65.9	153.4	167.5	70.4	174.9	179.1	174.8	-0.1	110.7	N127 Q182 N206	N127-R162 HydrophobicContact CB-CG 4.05Å; N127-R162 PolarHBondContact OD1-N 3.19Å; R162-Q182 VanDerWaalsContact NH2-CD 3.26Å; R162-N206 WeakPolarHBondContact CD-O 3.33Å; R162-N206 PolarHBondContact NH1-O 3.29Å
163	A	96.6	Very high	94.8	Very high	86 Å²	86	73.4 Å²	73.4	71%	0.711	39%	0.387	S	S	*	.			trans	-128.7	143.1	167.8	0	0	0	0	0	108.7	T178	A163-T178 HydrophobicContact CB-CG2 4.48Å
164	V	95.6	Very high	94.8	Very high	16 Å²	16	69.5 Å²	69.5	10%	0.097	36%	0.364	C	S	.	.			trans	-121.1	134.6	-178	-176.6	0	0	0	0	108.2	M177 T178 Q209	V164-M177 HydrophobicContact CB-CB 4.18Å; V164-M177 HydrophobicContact CG1-CB 3.79Å; V164-T178 PolarHBondContact N-OG1 2.69Å; V164-T178 PolarHBondContact O-OG1 3.43Å; V164-Q209 HydrophobicContact CG1-CG 3.9Å
165	E	93.4	Very high	94.8	Very high	137 Å²	137	62 Å²	62	64%	0.64	34%	0.337	S	S	*	.			trans	-62.4	137.5	174	-173	-168.5	-153	0	0	111.1	K167	E165-K167 IonicContact OE2-NZ 2.69Å; E165-K167 PolarHBondContact OE2-NZ 2.94Å
166	D	92.8	Very high	94.8	Very high	81 Å²	81	59 Å²	59	43%	0.433	32%	0.315	S	S	.	.			trans	-73.3	148.5	177.6	-65.6	-20.4	0	0	0	111.2	T175 I176 M177	D166-T175 WeakPolarHBondContact CB-O 3.29Å; D166-T175 VanDerWaalsContact CG-O 3.31Å; D166-I176 WeakPolarHBondContact OD1-CA 3.39Å; D166-M177 PolarHBondContact OD1-N 2.82Å
167	K	89.8	Confident	94.9	Very high	50 Å²	50	50.9 Å²	50.9	22%	0.217	29%	0.285	C	S	.	.			trans	-119.6	117.4	-170.5	-59.5	-59	177.5	-171.5	0	111	E165 I169 T175 M177	E165-K167 IonicContact OE2-NZ 2.69Å; E165-K167 PolarHBondContact OE2-NZ 2.94Å; K167-I169 HydrophobicContact CB-CG2 4.45Å; K167-I169 PolarHBondContact O-N 2.93Å; K167-T175 PolarHBondContact N-OG1 2.88Å; K167-T175 VanDerWaalsContact N-OG1 3.15Å; K167-T175 WeakPolarHBondContact O-CB 3.42Å; K167-T175 WeakPolarHBondContact O-CG2 3.48Å; K167-T175 PolarHBondContact O-OG1 2.99Å; K167-M177 HydrophobicContact CG-CG 4.33Å
168	N	90.3	Very high	94.9	Very high	46 Å²	46	49 Å²	49	25%	0.246	28%	0.279	C	S	.	.			trans	-74.6	98.8	178.6	-167.1	3.3	0	0	0	111.8	G170 D726	N168-G170 PolarHBondContact OD1-N 2.98Å; N168-D726 PolarHBondContact ND2-OD1 2.77Å; N168-D726 PolarHBondContact ND2-OD2 3.48Å
169	I	91.8	Very high	95	Very high	5 Å²	5	43 Å²	43	3%	0.026	24%	0.242	C	C	.	.			trans	-100.2	10.6	178	66.3	177	0	0	0	113.3	K167 I173 T175 T212 M217 F218 L235	K167-I169 HydrophobicContact CB-CG2 4.45Å; K167-I169 PolarHBondContact O-N 2.93Å; I169-I173 HydrophobicContact CD1-CB 4.1Å; I169-I173 HydrophobicContact CD1-CD1 4.22Å; I169-I173 HydrophobicContact CD1-CG2 3.94Å; I169-I173 HydrophobicContact CG1-CB 4.27Å; I169-T175 HydrophobicContact CD1-CG2 3.59Å; I169-T175 HydrophobicContact CG1-CG2 3.63Å; I169-T175 HydrophobicContact CG2-CG2 4.48Å; I169-T212 HydrophobicContact CG2-CG2 4.1Å; I169-M217 WeakPolarHBondContact O-CA 3.49Å; I169-F218 HydrophobicContact CB-CB 4.19Å; I169-F218 PolarHBondContact O-N 3.3Å; I169-L235 HydrophobicContact CD1-CD2 4.25Å
170	G	91.6	Very high	95.1	Very high	4 Å²	4	37 Å²	37	4%	0.041	22%	0.215	C	C	.	.			trans	131.6	-179.4	174.3	0	0	0	0	0	115.1	N168 L172 K238	N168-G170 PolarHBondContact OD1-N 2.98Å; G170-L172 PolarHBondContact O-N 2.88Å; G170-K238 WeakPolarHBondContact O-CE 3.15Å; G170-K238 PolarHBondContact O-NZ 3.45Å
171	P	93.8	Very high	95.2	Very high	16 Å²	16	34.4 Å²	34.4	10%	0.104	18%	0.184	C	C	.	.	S	Bend	trans	-78.6	-14.8	-173.7	29.6	-35.2	0	0	0	114.3	K238 A717 V725	P171-K238 WeakPolarHBondContact O-CB 3.21Å; P171-K238 WeakPolarHBondContact O-CD 3.39Å; P171-A717 HydrophobicContact CG-CB 4.03Å; P171-V725 HydrophobicContact CB-CG2 4.13Å
172	L	95.8	Very high	95.1	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.031	18%	0.176	C	C	.	.	S	Bend	trans	-90	-42.8	-174.1	-65	-179.6	0	0	0	113.1	G170 K238 P239 D292 F296 T710 C714	G170-L172 PolarHBondContact O-N 2.88Å; L172-K238 WeakPolarHBondContact O-CB 3.13Å; L172-K238 PolarHBondContact O-N 3.26Å; L172-P239 WeakPolarHBondContact O-CD 3.4Å; L172-D292 HydrophobicContact CD1-CB 3.94Å; L172-F296 HydrophobicContact CB-CD2 4.4Å; L172-F296 HydrophobicContact CB-CE2 3.79Å; L172-F296 HydrophobicContact CB-CZ 3.94Å; L172-F296 HydrophobicContact CD1-CD2 3.89Å; L172-F296 HydrophobicContact CD1-CE2 3.74Å; L172-F296 HydrophobicContact CD2-CB 4.27Å; L172-F296 HydrophobicContact CD2-CD1 4.29Å; L172-F296 HydrophobicContact CD2-CD2 3.43Å; L172-F296 VanDerWaalsContact CD2-CD2 3.43Å; L172-F296 HydrophobicContact CD2-CE2 3.73Å; L172-F296 HydrophobicContact CD2-CG 3.75Å; L172-F296 HydrophobicContact CD2-CZ 4.25Å; L172-F296 HydrophobicContact CG-CD2 4.09Å; L172-F296 HydrophobicContact CG-CE2 3.95Å; L172-T710 HydrophobicContact CD2-CG2 3.57Å; L172-C714 WeakPolarHBondContact CD2-SG 3.23Å
173	I	96.5	Very high	95.2	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.7	-172.3	-56.6	149.9	0	0	0	108.8	I169 F218 V226 I227 L235 T236	I169-I173 HydrophobicContact CD1-CB 4.1Å; I169-I173 HydrophobicContact CD1-CD1 4.22Å; I169-I173 HydrophobicContact CD1-CG2 3.94Å; I169-I173 HydrophobicContact CG1-CB 4.27Å; I173-F218 HydrophobicContact CD1-CD1 3.87Å; I173-F218 HydrophobicContact CD1-CE1 4.45Å; I173-V226 HydrophobicContact CD1-CG2 3.53Å; I173-V226 HydrophobicContact CG1-CG2 4.09Å; I173-V226 HydrophobicContact CG2-CG2 4.38Å; I173-I227 HydrophobicContact CG1-CD1 4.05Å; I173-I227 HydrophobicContact CG1-CG1 4.17Å; I173-I227 HydrophobicContact CG2-CG1 4.31Å; I173-L235 HydrophobicContact CG2-CB 3.99Å; I173-L235 HydrophobicContact CG2-CD2 3.95Å; I173-T236 CarbonylContact C-O 3.54Å
174	K	95.6	Very high	95.3	Very high	50 Å²	50	28 Å²	28	22%	0.217	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.4	169.3	-173.9	173.5	-174.8	173.1	0	108.5	L235 T236 K238 A241	K174-L235 WeakPolarHBondContact O-CA 3.14Å; K174-T236 PolarHBondContact N-O 3.03Å; K174-T236 PolarHBondContact O-N 3.28Å; K174-K238 HydrophobicContact CB-CB 3.97Å; K174-K238 HydrophobicContact CB-CG 4.29Å; K174-A241 HydrophobicContact CD-CB 4.08Å
175	T	95.9	Very high	95.4	Very high	14 Å²	14	27.9 Å²	27.9	9%	0.086	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.5	-179.7	59.4	0	0	0	0	110.2	D166 K167 I169 M177 A234 L235	D166-T175 WeakPolarHBondContact CB-O 3.29Å; D166-T175 VanDerWaalsContact CG-O 3.31Å; K167-T175 PolarHBondContact N-OG1 2.88Å; K167-T175 VanDerWaalsContact N-OG1 3.15Å; K167-T175 WeakPolarHBondContact O-CB 3.42Å; K167-T175 WeakPolarHBondContact O-CG2 3.48Å; K167-T175 PolarHBondContact O-OG1 2.99Å; I169-T175 HydrophobicContact CD1-CG2 3.59Å; I169-T175 HydrophobicContact CG1-CG2 3.63Å; I169-T175 HydrophobicContact CG2-CG2 4.48Å; T175-M177 HydrophobicContact CG2-CE 3.97Å; T175-A234 CarbonylContact C-O 3.58Å; T175-A234 VanDerWaalsContact CA-O 3.31Å; T175-A234 WeakPolarHBondContact CA-O 3.3Å; T175-L235 HydrophobicContact CG2-CD2 3.85Å
176	I	97.6	Very high	95.6	Very high	20 Å²	20	21.8 Å²	21.8	10%	0.103	12%	0.115	C	C	.	.			trans	-126.2	88.2	166.5	-61.9	173	0	0	0	107.8	D166 T178 R179 A234	D166-I176 WeakPolarHBondContact OD1-CA 3.39Å; I176-T178 VanDerWaalsContact C-N 3.29Å; I176-T178 PolarHBondContact O-N 2.99Å; I176-R179 VanDerWaalsContact CD1-CZ 3.49Å; I176-R179 VanDerWaalsContact CD1-NH1 3.32Å; I176-R179 HydrophobicContact CG2-CG 4.01Å; I176-R179 WeakPolarHBondContact O-CB 3.41Å; I176-R179 PolarHBondContact O-N 3.07Å; I176-R179 VanDerWaalsContact O-N 3.15Å; I176-A234 PolarHBondContact N-O 2.89Å; I176-A234 WeakPolarHBondContact O-CA 3.25Å
177	M	97	Very high	95.8	Very high	10 Å²	10	19.2 Å²	19.2	5%	0.049	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-74.8	-19.6	-162.7	-75.6	-57.5	109.3	0	0	113.5	V164 D166 K167 T175 R179 C180 I210 A234 L235	V164-M177 HydrophobicContact CB-CB 4.18Å; V164-M177 HydrophobicContact CG1-CB 3.79Å; D166-M177 PolarHBondContact OD1-N 2.82Å; K167-M177 HydrophobicContact CG-CG 4.33Å; T175-M177 HydrophobicContact CG2-CE 3.97Å; M177-R179 PolarHBondContact O-N 3.3Å; M177-C180 WeakPolarHBondContact O-CB 3.33Å; M177-C180 PolarHBondContact O-N 3.18Å; M177-C180 HydrophobicContact SD-CB 4.24Å; M177-I210 VanDerWaalsContact SD-O 3.42Å; M177-A234 HydrophobicContact CE-CB 4.22Å; M177-A234 WeakPolarHBondContact CE-O 3.44Å; M177-L235 HydrophobicContact CE-CD2 3.43Å; M177-L235 VanDerWaalsContact CE-CD2 3.43Å; M177-L235 HydrophobicContact CE-CG 4.24Å
178	T	97.5	Very high	96.2	Very high	26 Å²	26	17.8 Å²	17.8	16%	0.16	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-59	-29.1	171.3	-59.3	0	0	0	0	111.9	P129 A163 V164 I176 C180	P129-T178 HydrophobicContact CB-CG2 3.92Å; P129-T178 VanDerWaalsContact CD-O 3.23Å; P129-T178 WeakPolarHBondContact CD-O 3.38Å; P129-T178 HydrophobicContact CG-CG2 3.84Å; A163-T178 HydrophobicContact CB-CG2 4.48Å; V164-T178 PolarHBondContact N-OG1 2.69Å; V164-T178 PolarHBondContact O-OG1 3.43Å; I176-T178 VanDerWaalsContact C-N 3.29Å; I176-T178 PolarHBondContact O-N 2.99Å; T178-C180 VanDerWaalsContact C-N 3.35Å
179	R	98.3	Very high	96.5	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.015	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-79	-16.4	177	-62.3	167	-172.1	173.9	2.4	113.4	H128 P129 D131 I176 M177 I181 G233 A234	H128-R179 PolarHBondContact CE1-O 3.01Å; H128-R179 PolarHBondContact ND1-O 3.12Å; H128-R179 VanDerWaalsContact ND1-O 3.16Å; P129-R179 HydrophobicContact CG-CB 4.38Å; P129-R179 HydrophobicContact CG-CG 3.61Å; D131-R179 HydrophobicContact CB-CG 4.45Å; D131-R179 IonicContact OD2-CZ 3.11Å; D131-R179 IonicContact OD2-NE 2.77Å; D131-R179 PolarHBondContact OD2-NE 3.16Å; D131-R179 IonicContact OD2-NH2 3.83Å; D131-R179 PolarHBondContact OD2-NH2 2.87Å; I176-R179 VanDerWaalsContact CD1-CZ 3.49Å; I176-R179 VanDerWaalsContact CD1-NH1 3.32Å; I176-R179 HydrophobicContact CG2-CG 4.01Å; I176-R179 WeakPolarHBondContact O-CB 3.41Å; I176-R179 PolarHBondContact O-N 3.07Å; I176-R179 VanDerWaalsContact O-N 3.15Å; M177-R179 PolarHBondContact O-N 3.3Å; R179-I181 PolarHBondContact O-N 3.46Å; R179-G233 WeakPolarHBondContact CD-O 3.33Å; R179-G233 PolarHBondContact NH1-O 3.43Å; R179-A234 HydrophobicContact CB-CB 4.07Å
180	C	98	Very high	96.8	Very high	12 Å²	12	15.3 Å²	15.3	8%	0.081	8%	0.082	C	C	.	.			trans	-65.6	134	-175.9	-174.9	0	0	0	0	110.7	M177 T178 Q182 A234	M177-C180 WeakPolarHBondContact O-CB 3.33Å; M177-C180 PolarHBondContact O-N 3.18Å; M177-C180 HydrophobicContact SD-CB 4.24Å; T178-C180 VanDerWaalsContact C-N 3.35Å; C180-Q182 PolarHBondContact O-NE2 3.33Å; C180-Q182 PolarHBondContact O-OE1 3.12Å; C180-Q182 PolarHBondContact SG-N 3.4Å; C180-A234 HydrophobicContact CB-CB 3.83Å
181	I	97.6	Very high	97	Very high	18 Å²	18	17.1 Å²	17.1	9%	0.092	9%	0.094	C	C	.	.			trans	-98.8	11.4	176	60.4	164.7	0	0	0	113	F67 L124 L143 R179 C183 P231 V232	F67-I181 HydrophobicContact CB-CD1 3.84Å; F67-I181 HydrophobicContact CD1-CD1 3.77Å; F67-I181 HydrophobicContact CD2-CD1 4.45Å; F67-I181 HydrophobicContact CE1-CD1 4.46Å; F67-I181 HydrophobicContact CG-CD1 3.77Å; L124-I181 HydrophobicContact CD2-CB 4.01Å; L124-I181 HydrophobicContact CD2-CD1 4.4Å; L124-I181 HydrophobicContact CD2-CG2 4.28Å; L143-I181 HydrophobicContact CD2-CG2 4.13Å; R179-I181 PolarHBondContact O-N 3.46Å; I181-C183 HydrophobicContact CD1-CB 4.21Å; I181-C183 HydrophobicContact CG1-CB 4.12Å; I181-C183 PolarHBondContact O-N 3.09Å; I181-C183 VanDerWaalsContact O-N 3.15Å; I181-P231 HydrophobicContact CD1-CG 4.07Å; I181-V232 HydrophobicContact CD1-CG1 4.24Å; I181-V232 HydrophobicContact CG1-CG1 4.22Å; I181-V232 HydrophobicContact CG1-CG2 4.45Å; I181-V232 HydrophobicContact CG2-CG1 4.12Å
182	Q	97.1	Very high	97.2	Very high	36 Å²	36	17.7 Å²	17.7	17%	0.168	10%	0.096	C	C	.	.			trans	52.9	37.7	177.7	-60.7	72.8	36.2	0	0	113.9	N78 R162 C180 T184 L208 I210	N78-Q182 PolarHBondContact ND2-O 3.09Å; R162-Q182 VanDerWaalsContact NH2-CD 3.26Å; C180-Q182 PolarHBondContact O-NE2 3.33Å; C180-Q182 PolarHBondContact O-OE1 3.12Å; C180-Q182 PolarHBondContact SG-N 3.4Å; Q182-T184 PolarHBondContact O-N 3.05Å; Q182-L208 HydrophobicContact CB-CD2 4.01Å; Q182-L208 HydrophobicContact CG-CD2 3.65Å; Q182-I210 HydrophobicContact CB-CD1 4.28Å; Q182-I210 HydrophobicContact CG-CD1 4.46Å; Q182-I210 HydrophobicContact CG-CG1 4.36Å
183	C	97.5	Very high	97.2	Very high	7 Å²	7	18 Å²	18	5%	0.047	10%	0.097	C	C	.	.			trans	-73.1	-5.9	177.7	67.8	0	0	0	0	114	C68 N78 I181 R185 R188	C68-C183 HydrophobicContact CB-CB 4.02Å; C68-C183 VanDerWaalsContact CB-O 3.31Å; C68-C183 WeakPolarHBondContact CB-O 3.46Å; N78-C183 VanDerWaalsContact ND2-C 3.26Å; N78-C183 PolarHBondContact ND2-O 2.81Å; N78-C183 VanDerWaalsContact ND2-O 3.13Å; N78-C183 PolarHBondContact OD1-O 3.23Å; I181-C183 HydrophobicContact CD1-CB 4.21Å; I181-C183 HydrophobicContact CG1-CB 4.12Å; I181-C183 PolarHBondContact O-N 3.09Å; I181-C183 VanDerWaalsContact O-N 3.15Å; C183-R185 PolarHBondContact O-N 3.11Å; C183-R188 PolarHBondContact O-NH2 3Å
184	T	97.8	Very high	97.2	Very high	26 Å²	26	17.8 Å²	17.8	16%	0.16	10%	0.096	C	C	.	.			trans	52.4	23	179.4	70.1	0	0	0	0	115.4	N78 Q182 R188 T201 I210	N78-T184 WeakPolarHBondContact ND2-CG2 3.49Å; N78-T184 PolarHBondContact ND2-OG1 3.02Å; Q182-T184 PolarHBondContact O-N 3.05Å; T184-R188 PolarHBondContact O-N 3.44Å; T184-R188 PolarHBondContact O-NE 3.29Å; T184-R188 VanDerWaalsContact O-NE 3.12Å; T184-T201 HydrophobicContact CG2-CG2 3.87Å; T184-I210 HydrophobicContact CG2-CD1 4.18Å
185	R	98	Very high	97.2	Very high	13 Å²	13	16.1 Å²	16.1	5%	0.049	9%	0.093	C	C	.	.	H	α-helix	trans	-65.6	-46.9	173.6	-74.5	-171	175.5	155.2	9	111.7	F67 C68 Y69 L73 D142 C183 V187 R188 F189 V229	F67-R185 WeakPolarHBondContact O-CD 3.48Å; F67-R185 PolarHBondContact O-NE 3.34Å; F67-R185 PolarHBondContact O-NH2 3.41Å; F67-R185 VanDerWaalsContact O-NH2 3.11Å; C68-R185 WeakPolarHBondContact O-CG 3.44Å; Y69-R185 VanDerWaalsContact O-CZ 3.29Å; Y69-R185 PolarHBondContact O-NE 2.97Å; Y69-R185 VanDerWaalsContact O-NE 3.14Å; Y69-R185 PolarHBondContact O-NH2 3.4Å; L73-R185 HydrophobicContact CD1-CB 4.31Å; D142-R185 IonicContact OD2-NH1 3.75Å; C183-R185 PolarHBondContact O-N 3.11Å; R185-V187 VanDerWaalsContact C-N 3.33Å; R185-V187 PolarHBondContact O-N 3.05Å; R185-R188 VanDerWaalsContact CG-NH2 3.34Å; R185-R188 PolarHBondContact O-N 3.22Å; R185-F189 WeakPolarHBondContact O-CB 3.37Å; R185-F189 PolarHBondContact O-N 2.85Å; R185-V229 HydrophobicContact CB-CG1 3.42Å; R185-V229 VanDerWaalsContact CB-CG1 3.42Å; R185-V229 WeakPolarHBondContact CD-O 3.17Å; R185-V229 HydrophobicContact CG-CG1 4.28Å; R185-V229 PolarHBondContact NH1-O 2.99Å
186	C	97.1	Very high	97.1	Very high	9 Å²	9	16.3 Å²	16.3	6%	0.061	9%	0.094	C	C	.	.	H	α-helix	trans	-62.3	-37.7	179.1	55.9	0	0	0	0	113.1	F189 A190 L199 V226 L235	C186-F189 PolarHBondContact O-N 3.32Å; C186-A190 VanDerWaalsContact O-CB 3.27Å; C186-A190 WeakPolarHBondContact O-CB 3.32Å; C186-A190 PolarHBondContact O-N 3.23Å; C186-L199 HydrophobicContact CB-CD1 4.2Å; C186-V226 HydrophobicContact CB-CB 4.2Å; C186-V226 HydrophobicContact CB-CG1 4.27Å; C186-L235 HydrophobicContact CB-CD1 3.6Å
187	V	97.3	Very high	96.8	Very high	28 Å²	28	22.7 Å²	22.7	17%	0.17	12%	0.123	C	C	.	.	H	α-helix	trans	-63.1	-46.8	176	172.7	0	0	0	0	110.8	R185 A190 S191 L199 I210	R185-V187 VanDerWaalsContact C-N 3.33Å; R185-V187 PolarHBondContact O-N 3.05Å; V187-A190 PolarHBondContact O-N 3.33Å; V187-S191 PolarHBondContact O-N 3.33Å; V187-L199 WeakPolarHBondContact CG1-O 3.24Å; V187-L199 HydrophobicContact CG2-CB 4.27Å; V187-I210 HydrophobicContact CG2-CG2 4Å
188	R	97.4	Very high	96.4	Very high	19 Å²	19	23.6 Å²	23.6	7%	0.072	13%	0.128	C	C	.	.	H	α-helix	trans	-64.4	-44.2	175.6	-78	177	-72.9	139.4	2	112	C68 L73 S74 C183 T184 R185 A190 S191 E192	C68-R188 PolarHBondContact O-NH1 2.82Å; C68-R188 PolarHBondContact O-NH2 3.24Å; L73-R188 HydrophobicContact CD1-CB 4.43Å; S74-R188 PolarHBondContact O-NH1 3.22Å; S74-R188 WeakPolarHBondContact OG-CD 3.23Å; C183-R188 PolarHBondContact O-NH2 3Å; T184-R188 PolarHBondContact O-N 3.44Å; T184-R188 PolarHBondContact O-NE 3.29Å; T184-R188 VanDerWaalsContact O-NE 3.12Å; R185-R188 VanDerWaalsContact CG-NH2 3.34Å; R185-R188 PolarHBondContact O-N 3.22Å; R188-A190 VanDerWaalsContact C-N 3.32Å; R188-A190 PolarHBondContact O-N 3.4Å; R188-S191 PolarHBondContact O-N 2.94Å; R188-E192 WeakPolarHBondContact CG-OE1 3.23Å; R188-E192 WeakPolarHBondContact O-CB 3.44Å; R188-E192 WeakPolarHBondContact O-CG 3.5Å; R188-E192 PolarHBondContact O-N 3.44Å
189	F	98.1	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.6	-46.8	175.2	178.5	-88.2	0	0	0	111.7	L73 R185 C186 S191 I193 A194 L222 N225 V226 V229 W289	L73-F189 HydrophobicContact CD1-CB 4.24Å; L73-F189 HydrophobicContact CD2-CB 4.12Å; L73-F189 HydrophobicContact CD2-CD2 4.3Å; R185-F189 WeakPolarHBondContact O-CB 3.37Å; R185-F189 PolarHBondContact O-N 2.85Å; C186-F189 PolarHBondContact O-N 3.32Å; F189-S191 PolarHBondContact O-N 2.89Å; F189-I193 HydrophobicContact CD2-CB 3.93Å; F189-I193 HydrophobicContact CD2-CG1 4.09Å; F189-I193 HydrophobicContact CD2-CG2 4.32Å; F189-I193 HydrophobicContact CE2-CB 3.79Å; F189-I193 HydrophobicContact CE2-CG1 4.27Å; F189-I193 HydrophobicContact CE2-CG2 3.69Å; F189-I193 HydrophobicContact CZ-CB 4.28Å; F189-I193 HydrophobicContact CZ-CG2 4.05Å; F189-I193 PolarHBondContact O-N 3.41Å; F189-A194 HydrophobicContact CD1-CB 4.35Å; F189-A194 HydrophobicContact CE1-CB 3.94Å; F189-A194 PolarHBondContact O-N 2.97Å; F189-L222 WeakPolarHBondContact CE1-O 3.36Å; F189-L222 HydrophobicContact CZ-CB 4.41Å; F189-N225 HydrophobicContact CE1-CB 3.97Å; F189-N225 HydrophobicContact CE2-CB 3.92Å; F189-N225 HydrophobicContact CZ-CB 3.42Å; F189-N225 VanDerWaalsContact CZ-CB 3.42Å; F189-V226 HydrophobicContact CD1-CG1 3.49Å; F189-V226 VanDerWaalsContact CD1-CG1 3.49Å; F189-V226 HydrophobicContact CE1-CG1 4.05Å; F189-V226 HydrophobicContact CG-CG1 4.31Å; F189-V229 HydrophobicContact CD2-CG2 4.02Å; F189-V229 HydrophobicContact CG-CG2 4.4Å; F189-W289 HydrophobicContact CD2-CE3 4.44Å; F189-W289 AromaticContact CD2-CH2 3.76Å; F189-W289 HydrophobicContact CD2-CH2 3.76Å; F189-W289 AromaticContact CD2-CZ2 3.95Å; F189-W289 HydrophobicContact CD2-CZ2 3.95Å; F189-W289 HydrophobicContact CD2-CZ3 4.05Å; F189-W289 AromaticContact CE2-CD2 3.75Å; F189-W289 HydrophobicContact CE2-CD2 3.75Å; F189-W289 AromaticContact CE2-CE2 3.84Å; F189-W289 AromaticContact CE2-CE3 3.7Å; F189-W289 HydrophobicContact CE2-CE3 3.7Å; F189-W289 AromaticContact CE2-CH2 3.8Å; F189-W289 HydrophobicContact CE2-CH2 3.8Å; F189-W289 AromaticContact CE2-CZ2 3.84Å; F189-W289 HydrophobicContact CE2-CZ2 3.84Å; F189-W289 AromaticContact CE2-CZ3 3.76Å; F189-W289 HydrophobicContact CE2-CZ3 3.76Å; F189-W289 HydrophobicContact CZ-CE3 4.47Å
190	A	96.9	Very high	96.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.3	-44.6	179.7	0	0	0	0	0	111.9	C186 V187 R188 A194 G195 V196 L199 F218	C186-A190 VanDerWaalsContact O-CB 3.27Å; C186-A190 WeakPolarHBondContact O-CB 3.32Å; C186-A190 PolarHBondContact O-N 3.23Å; V187-A190 PolarHBondContact O-N 3.33Å; R188-A190 VanDerWaalsContact C-N 3.32Å; R188-A190 PolarHBondContact O-N 3.4Å; A190-A194 CarbonylContact O-C 3.52Å; A190-G195 WeakPolarHBondContact O-CA 3.37Å; A190-G195 PolarHBondContact O-N 3.28Å; A190-V196 CarbonylContact C-O 3.53Å; A190-V196 WeakPolarHBondContact CB-O 3.21Å; A190-V196 CarbonylContact O-C 3.56Å; A190-V196 PolarHBondContact O-N 3.13Å; A190-V196 VanDerWaalsContact O-O 3.11Å; A190-L199 HydrophobicContact CB-CB 4.05Å; A190-L199 HydrophobicContact CB-CD1 4.14Å; A190-L199 HydrophobicContact CB-CG 4.32Å; A190-F218 HydrophobicContact CB-CE2 3.69Å; A190-F218 HydrophobicContact CB-CZ 3.75Å
191	S	96.4	Very high	96	Very high	42 Å²	42	26.7 Å²	26.7	29%	0.294	15%	0.152	S	C	.	.	H	α-helix	trans	-76.6	-44	-179.9	177.9	0	0	0	0	113.4	V187 R188 F189 R423	V187-S191 PolarHBondContact O-N 3.33Å; R188-S191 PolarHBondContact O-N 2.94Å; F189-S191 PolarHBondContact O-N 2.89Å; S191-R423 PolarHBondContact O-NH2 3.11Å
192	E	96.9	Very high	95.9	Very high	28 Å²	28	27.9 Å²	27.9	13%	0.131	16%	0.16	C	C	.	.	H	α-helix	trans	-86.7	-45.8	-170	-64.2	166.3	-160.2	0	0	112.4	S74 R188 R423 L427	S74-E192 WeakPolarHBondContact CB-OE1 3.1Å; S74-E192 PolarHBondContact N-OE2 3.31Å; S74-E192 PolarHBondContact OG-OE1 3.45Å; S74-E192 PolarHBondContact OG-OE2 2.79Å; R188-E192 WeakPolarHBondContact CG-OE1 3.23Å; R188-E192 WeakPolarHBondContact O-CB 3.44Å; R188-E192 WeakPolarHBondContact O-CG 3.5Å; R188-E192 PolarHBondContact O-N 3.44Å; E192-R423 VanDerWaalsContact O-CD 3.31Å; E192-R423 WeakPolarHBondContact O-CD 3.31Å; E192-R423 PolarHBondContact O-NE 2.9Å; E192-L427 HydrophobicContact CB-CD2 4.14Å; E192-L427 HydrophobicContact CG-CD2 4.3Å
193	I	97.5	Very high	95.7	Very high	11 Å²	11	29.1 Å²	29.1	6%	0.056	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-52.2	-172.2	-54.3	-60.1	0	0	0	111.7	L73 F189 G195 R423	L73-I193 HydrophobicContact CD2-CG1 3.76Å; F189-I193 HydrophobicContact CD2-CB 3.93Å; F189-I193 HydrophobicContact CD2-CG1 4.09Å; F189-I193 HydrophobicContact CD2-CG2 4.32Å; F189-I193 HydrophobicContact CE2-CB 3.79Å; F189-I193 HydrophobicContact CE2-CG1 4.27Å; F189-I193 HydrophobicContact CE2-CG2 3.69Å; F189-I193 HydrophobicContact CZ-CB 4.28Å; F189-I193 HydrophobicContact CZ-CG2 4.05Å; F189-I193 PolarHBondContact O-N 3.41Å; I193-G195 VanDerWaalsContact C-N 3.26Å; I193-G195 PolarHBondContact O-N 3.22Å; I193-R423 WeakPolarHBondContact O-CD 3.36Å
194	A	96.6	Very high	95.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-73.1	-23.4	178.5	0	0	0	0	0	112.3	F189 A190 V196 F218	F189-A194 HydrophobicContact CD1-CB 4.35Å; F189-A194 HydrophobicContact CE1-CB 3.94Å; F189-A194 PolarHBondContact O-N 2.97Å; A190-A194 CarbonylContact O-C 3.52Å; A194-V196 VanDerWaalsContact C-N 3.27Å; A194-V196 PolarHBondContact O-N 3.4Å; A194-F218 HydrophobicContact CB-CZ 4.27Å
195	G	95.6	Very high	95.5	Very high	15 Å²	15	41.1 Å²	41.1	16%	0.155	25%	0.245	C	C	.	.			trans	64.1	29.1	-179.9	0	0	0	0	0	115.2	A190 I193 R423	A190-G195 WeakPolarHBondContact O-CA 3.37Å; A190-G195 PolarHBondContact O-N 3.28Å; I193-G195 VanDerWaalsContact C-N 3.26Å; I193-G195 PolarHBondContact O-N 3.22Å; G195-R423 VanDerWaalsContact CA-NE 3.3Å; G195-R423 VanDerWaalsContact CA-NH2 3.32Å
196	V	93.5	Very high	95.2	Very high	18 Å²	18	44.2 Å²	44.2	11%	0.109	26%	0.262	C	S	.	.			trans	-124.5	107.2	177.8	178.8	0	0	0	0	108.5	A190 A194 D198 F218	A190-V196 CarbonylContact C-O 3.53Å; A190-V196 WeakPolarHBondContact CB-O 3.21Å; A190-V196 CarbonylContact O-C 3.56Å; A190-V196 PolarHBondContact O-N 3.13Å; A190-V196 VanDerWaalsContact O-O 3.11Å; A194-V196 VanDerWaalsContact C-N 3.27Å; A194-V196 PolarHBondContact O-N 3.4Å; V196-D198 HydrophobicContact CG1-CB 3.98Å; V196-D198 VanDerWaalsContact CG1-CG 3.49Å; V196-D198 VanDerWaalsContact CG1-OD2 3.3Å; V196-D198 WeakPolarHBondContact CG1-OD2 3.27Å; V196-D198 PolarHBondContact O-N 3.46Å; V196-F218 HydrophobicContact CB-CE2 4.11Å; V196-F218 HydrophobicContact CG1-CD2 4.26Å; V196-F218 HydrophobicContact CG1-CE2 4.19Å
197	E	90.1	Very high	95	Very high	154 Å²	154	49.7 Å²	49.7	72%	0.72	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	39.1	-174.7	-58.5	-173.8	163.4	0	0	113.5
198	D	89.6	Confident	94.9	Very high	29 Å²	29	50.3 Å²	50.3	16%	0.155	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-31.5	-177.1	-74.3	-14.5	0	0	0	112.7	V196 T212 K216 F218	V196-D198 HydrophobicContact CG1-CB 3.98Å; V196-D198 VanDerWaalsContact CG1-CG 3.49Å; V196-D198 VanDerWaalsContact CG1-OD2 3.3Å; V196-D198 WeakPolarHBondContact CG1-OD2 3.27Å; V196-D198 PolarHBondContact O-N 3.46Å; D198-T212 HydrophobicContact CB-CG2 4.39Å; D198-T212 WeakPolarHBondContact O-CG2 3.34Å; D198-K216 VanDerWaalsContact OD1-CE 3.29Å; D198-K216 WeakPolarHBondContact OD1-CE 3.47Å; D198-K216 IonicContact OD1-NZ 3.7Å; D198-K216 PolarHBondContact OD1-NZ 3.31Å; D198-K216 VanDerWaalsContact OD2-CE 3.23Å; D198-K216 WeakPolarHBondContact OD2-CE 3.4Å; D198-K216 IonicContact OD2-NZ 2.77Å; D198-K216 PolarHBondContact OD2-NZ 2.98Å; D198-F218 HydrophobicContact CB-CD2 4.19Å
199	L	94.3	Very high	94.8	Very high	13 Å²	13	52 Å²	52	7%	0.068	30%	0.298	C	S	.	.			trans	-87.5	129.6	176.7	-66.8	-178.6	0	0	0	110.6	C186 V187 A190 T212 F218	C186-L199 HydrophobicContact CB-CD1 4.2Å; V187-L199 WeakPolarHBondContact CG1-O 3.24Å; V187-L199 HydrophobicContact CG2-CB 4.27Å; A190-L199 HydrophobicContact CB-CB 4.05Å; A190-L199 HydrophobicContact CB-CD1 4.14Å; A190-L199 HydrophobicContact CB-CG 4.32Å; L199-T212 HydrophobicContact CD2-CG2 4.18Å; L199-F218 HydrophobicContact CD1-CD1 4.4Å; L199-F218 HydrophobicContact CD1-CE1 4.36Å; L199-F218 HydrophobicContact CD1-CZ 4.45Å; L199-F218 HydrophobicContact CG-CD2 4.28Å; L199-F218 HydrophobicContact CG-CG 4.45Å
200	G	95.1	Very high	94.7	Very high	24 Å²	24	52.4 Å²	52.4	25%	0.247	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	-174.6	177.5	0	0	0	0	0	113.1	I210 G211	G200-I210 WeakPolarHBondContact O-CA 3.36Å; G200-G211 PolarHBondContact N-O 2.9Å; G200-G211 PolarHBondContact O-N 2.84Å
201	T	95.4	Very high	94.5	Very high	70 Å²	70	52.8 Å²	52.8	43%	0.429	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.4	171.6	55.5	0	0	0	0	109.9	T184 L208 Q209 I210	T184-T201 HydrophobicContact CG2-CG2 3.87Å; T201-L208 HydrophobicContact CG2-CD2 3.96Å; T201-Q209 WeakPolarHBondContact CA-O 3.32Å; T201-I210 HydrophobicContact CG2-CG1 4.14Å
202	T	95.1	Very high	94.2	Very high	43 Å²	43	51.5 Å²	51.5	26%	0.264	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	146.8	175.4	59.2	0	0	0	0	109.6	L208 Q209 Y213	T202-L208 WeakPolarHBondContact O-CA 3.44Å; T202-Q209 PolarHBondContact N-O 3.09Å; T202-Q209 PolarHBondContact O-N 2.69Å; T202-Y213 HydrophobicContact CG2-CD2 3.81Å; T202-Y213 HydrophobicContact CG2-CG 4.42Å
203	G	94.3	Very high	93.7	Very high	63 Å²	63	59.8 Å²	59.8	65%	0.649	33%	0.326	S	S	*	.	S	Bend	trans	77.9	-166.3	-175.1	0	0	0	0	0	114.1
204	R	95.1	Very high	93.3	Very high	217 Å²	217	63.5 Å²	63.5	82%	0.819	35%	0.349	S	S	*	.			trans	-154.7	159.7	-178	67.1	179.9	-176.6	178.9	0.1	112	E207	R204-E207 PolarHBondContact O-N 3.46Å
205	G	94.9	Very high	92.6	Very high	67 Å²	67	72.5 Å²	72.5	69%	0.691	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	66.9	-141.3	179.4	0	0	0	0	0	111.7	E207 L208	G205-E207 PolarHBondContact O-N 3.39Å; G205-L208 WeakPolarHBondContact O-CB 3.36Å; G205-L208 PolarHBondContact O-N 2.94Å
206	N	92.2	Very high	92.1	Very high	78 Å²	78	75.8 Å²	75.8	42%	0.417	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-74.2	-12.9	179.3	-159.5	44.5	0	0	0	113.4	N127 R162 L208	N127-N206 PolarHBondContact ND2-ND2 2.9Å; N127-N206 PolarHBondContact ND2-OD1 3.49Å; R162-N206 WeakPolarHBondContact CD-O 3.33Å; R162-N206 PolarHBondContact NH1-O 3.29Å; N206-L208 VanDerWaalsContact C-N 3.33Å
207	E	93.4	Very high	91.8	Very high	125 Å²	125	76 Å²	76	58%	0.584	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-92.8	9.1	175.2	-60.8	-54.9	139.1	0	0	112.4	R204 G205 Q209	R204-E207 PolarHBondContact O-N 3.46Å; G205-E207 PolarHBondContact O-N 3.39Å; E207-Q209 PolarHBondContact O-N 2.99Å
208	L	95.3	Very high	91.7	Very high	40 Å²	40	69 Å²	69	21%	0.209	37%	0.368	C	S	.	.			trans	-68.2	127.9	174.9	-176	150.4	0	0	0	110.4	Q182 T201 T202 G205 N206	Q182-L208 HydrophobicContact CB-CD2 4.01Å; Q182-L208 HydrophobicContact CG-CD2 3.65Å; T201-L208 HydrophobicContact CG2-CD2 3.96Å; T202-L208 WeakPolarHBondContact O-CA 3.44Å; G205-L208 WeakPolarHBondContact O-CB 3.36Å; G205-L208 PolarHBondContact O-N 2.94Å; N206-L208 VanDerWaalsContact C-N 3.33Å
209	Q	95.3	Very high	91.3	Very high	54 Å²	54	71.5 Å²	71.5	25%	0.252	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140	-179.3	-61.5	179.6	6.1	0	0	110.4	V164 T201 T202 E207	V164-Q209 HydrophobicContact CG1-CG 3.9Å; T201-Q209 WeakPolarHBondContact CA-O 3.32Å; T202-Q209 PolarHBondContact N-O 3.09Å; T202-Q209 PolarHBondContact O-N 2.69Å; E207-Q209 PolarHBondContact O-N 2.99Å
210	I	95.6	Very high	91.3	Very high	10 Å²	10	71 Å²	71	5%	0.051	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132	169.2	-70	-175.5	0	0	0	107.7	M177 Q182 T184 V187 G200 T201	M177-I210 VanDerWaalsContact SD-O 3.42Å; Q182-I210 HydrophobicContact CB-CD1 4.28Å; Q182-I210 HydrophobicContact CG-CD1 4.46Å; Q182-I210 HydrophobicContact CG-CG1 4.36Å; T184-I210 HydrophobicContact CG2-CD1 4.18Å; V187-I210 HydrophobicContact CG2-CG2 4Å; G200-I210 WeakPolarHBondContact O-CA 3.36Å; T201-I210 HydrophobicContact CG2-CG1 4.14Å
211	G	92.7	Very high	91.4	Very high	8 Å²	8	70.1 Å²	70.1	8%	0.082	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.3	-164.6	177.2	0	0	0	0	0	110.9	G200	G200-G211 PolarHBondContact N-O 2.9Å; G200-G211 PolarHBondContact O-N 2.84Å
212	T	89.9	Confident	91.5	Very high	14 Å²	14	66.8 Å²	66.8	9%	0.086	35%	0.346	C	S	.	.			trans	-88.1	137.6	168.4	58.3	0	0	0	0	108.6	I169 D198 L199 V214 K216	I169-T212 HydrophobicContact CG2-CG2 4.1Å; D198-T212 HydrophobicContact CB-CG2 4.39Å; D198-T212 WeakPolarHBondContact O-CG2 3.34Å; L199-T212 HydrophobicContact CD2-CG2 4.18Å; T212-V214 VanDerWaalsContact C-N 3.31Å; T212-V214 CarbonylContact C-O 3.54Å; T212-V214 WeakPolarHBondContact CB-O 3.46Å; T212-V214 PolarHBondContact O-N 2.64Å; T212-V214 PolarHBondContact OG1-O 2.97Å; T212-K216 HydrophobicContact CG2-CB 4.43Å; T212-K216 WeakPolarHBondContact CG2-O 3.4Å
213	Y	87.3	Confident	91.6	Very high	203 Å²	203	64.9 Å²	64.9	80%	0.796	34%	0.335	S	S	*	.	S	Bend	trans	-65.1	-37.9	179.5	176	-105.1	0	0	0	112	T202	T202-Y213 HydrophobicContact CG2-CD2 3.81Å; T202-Y213 HydrophobicContact CG2-CG 4.42Å
214	V	88	Confident	91.7	Very high	89 Å²	89	61.9 Å²	61.9	54%	0.539	30%	0.304	S	S	.	.	S	Bend	trans	-104.7	159.7	170.7	-69.1	0	0	0	0	109.5	T212 K216	T212-V214 VanDerWaalsContact C-N 3.31Å; T212-V214 CarbonylContact C-O 3.54Å; T212-V214 WeakPolarHBondContact CB-O 3.46Å; T212-V214 PolarHBondContact O-N 2.64Å; T212-V214 PolarHBondContact OG1-O 2.97Å; V214-K216 VanDerWaalsContact C-N 3.31Å; V214-K216 HydrophobicContact CG2-CB 4.07Å; V214-K216 PolarHBondContact O-N 3.3Å
215	E	81.6	Confident	91.9	Very high	189 Å²	189	51.6 Å²	51.6	88%	0.883	27%	0.265	S	S	*	.	S	Bend	trans	-63.8	95	168.4	-71.9	-174.8	173.4	0	0	109.3
216	K	85.7	Confident	92	Very high	83 Å²	83	48.4 Å²	48.4	36%	0.361	23%	0.232	S	C	.	.			trans	-133.8	135.3	-179.2	-175.8	177.3	-178.8	-172.5	0	107.9	D198 T212 V214	D198-K216 VanDerWaalsContact OD1-CE 3.29Å; D198-K216 WeakPolarHBondContact OD1-CE 3.47Å; D198-K216 IonicContact OD1-NZ 3.7Å; D198-K216 PolarHBondContact OD1-NZ 3.31Å; D198-K216 VanDerWaalsContact OD2-CE 3.23Å; D198-K216 WeakPolarHBondContact OD2-CE 3.4Å; D198-K216 IonicContact OD2-NZ 2.77Å; D198-K216 PolarHBondContact OD2-NZ 2.98Å; T212-K216 HydrophobicContact CG2-CB 4.43Å; T212-K216 WeakPolarHBondContact CG2-O 3.4Å; V214-K216 VanDerWaalsContact C-N 3.31Å; V214-K216 HydrophobicContact CG2-CB 4.07Å; V214-K216 PolarHBondContact O-N 3.3Å
217	M	86.6	Confident	92.3	Very high	23 Å²	23	45.2 Å²	45.2	11%	0.113	22%	0.215	C	C	.	.			trans	-68.4	134.6	172	-177.8	175.1	-62.8	0	0	109.6	I169 M219 A717 L718 A722	I169-M217 WeakPolarHBondContact O-CA 3.49Å; M217-M219 VanDerWaalsContact C-N 3.31Å; M217-M219 HydrophobicContact CB-CG 3.81Å; M217-M219 HydrophobicContact CG-CG 3.68Å; M217-M219 PolarHBondContact O-N 3.3Å; M217-M219 HydrophobicContact SD-CG 3.94Å; M217-A717 HydrophobicContact CE-CB 3.42Å; M217-A717 VanDerWaalsContact CE-CB 3.42Å; M217-A717 HydrophobicContact SD-CB 4.39Å; M217-L718 HydrophobicContact SD-CD2 4.49Å; M217-A722 HydrophobicContact CE-CB 3.58Å
218	F	89.4	Confident	92.4	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.026	20%	0.203	C	C	.	.			trans	-73.7	89.3	169.9	178.8	-134.9	0	0	0	108.7	I169 I173 A190 A194 V196 D198 L199 S220 S223 V226	I169-F218 HydrophobicContact CB-CB 4.19Å; I169-F218 PolarHBondContact O-N 3.3Å; I173-F218 HydrophobicContact CD1-CD1 3.87Å; I173-F218 HydrophobicContact CD1-CE1 4.45Å; A190-F218 HydrophobicContact CB-CE2 3.69Å; A190-F218 HydrophobicContact CB-CZ 3.75Å; A194-F218 HydrophobicContact CB-CZ 4.27Å; V196-F218 HydrophobicContact CB-CE2 4.11Å; V196-F218 HydrophobicContact CG1-CD2 4.26Å; V196-F218 HydrophobicContact CG1-CE2 4.19Å; D198-F218 HydrophobicContact CB-CD2 4.19Å; L199-F218 HydrophobicContact CD1-CD1 4.4Å; L199-F218 HydrophobicContact CD1-CE1 4.36Å; L199-F218 HydrophobicContact CD1-CZ 4.45Å; L199-F218 HydrophobicContact CG-CD2 4.28Å; L199-F218 HydrophobicContact CG-CG 4.45Å; F218-S220 PolarHBondContact O-N 3.14Å; F218-S223 VanDerWaalsContact CE1-CA 3.48Å; F218-S223 VanDerWaalsContact CE1-CB 3.49Å; F218-V226 HydrophobicContact CE1-CG1 3.76Å; F218-V226 HydrophobicContact CZ-CG1 4.29Å
219	M	81	Confident	92.5	Very high	82 Å²	82	40.3 Å²	40.3	40%	0.404	19%	0.193	S	C	.	.			trans	-92.5	91.9	-172.5	-66.4	-172.8	-60	0	0	110.8	M217 L718	M217-M219 VanDerWaalsContact C-N 3.31Å; M217-M219 HydrophobicContact CB-CG 3.81Å; M217-M219 HydrophobicContact CG-CG 3.68Å; M217-M219 PolarHBondContact O-N 3.3Å; M217-M219 HydrophobicContact SD-CG 3.94Å; M219-L718 HydrophobicContact CG-CD2 4.05Å; M219-L718 HydrophobicContact SD-CD2 3.6Å
220	S	94	Very high	92.6	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.021	19%	0.185	C	C	.	.			trans	-140.6	153.7	168.5	173.8	0	0	0	0	109.1	F218 L222 S223	F218-S220 PolarHBondContact O-N 3.14Å; S220-L222 PolarHBondContact OG-N 3.35Å; S220-L222 VanDerWaalsContact OG-N 3.13Å; S220-S223 WeakPolarHBondContact O-CB 3.38Å; S220-S223 PolarHBondContact O-OG 3.29Å
221	E	96.6	Very high	92.7	Very high	5 Å²	5	37.9 Å²	37.9	2%	0.023	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-14.6	171	72	-70	172.8	0	0	113.5	D292 R412 Y413 P416 F698	E221-D292 WeakPolarHBondContact O-CB 3.27Å; E221-D292 PolarHBondContact O-N 2.9Å; E221-R412 HydrophobicContact CG-CG 4.12Å; E221-R412 WeakPolarHBondContact OE1-CG 3.47Å; E221-R412 IonicContact OE1-NE 3.34Å; E221-R412 IonicContact OE2-CZ 3.59Å; E221-R412 IonicContact OE2-NE 4Å; E221-R412 PolarHBondContact OE2-NE 2.82Å; E221-R412 IonicContact OE2-NH2 2.82Å; E221-R412 PolarHBondContact OE2-NH2 3.44Å; E221-Y413 HydrophobicContact CB-CD1 4.34Å; E221-Y413 HydrophobicContact CB-CE1 4.41Å; E221-P416 HydrophobicContact CG-CB 3.86Å; E221-P416 HydrophobicContact CG-CG 4.32Å; E221-F698 HydrophobicContact CB-CD1 4.27Å; E221-F698 HydrophobicContact CB-CE1 4.02Å; E221-F698 HydrophobicContact CB-CZ 4.23Å
222	L	97.8	Very high	93	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	16.6	177.4	-60.6	-176.3	0	0	0	112.1	F189 S220 G224 N225 P416 L417 A420	F189-L222 WeakPolarHBondContact CE1-O 3.36Å; F189-L222 HydrophobicContact CZ-CB 4.41Å; S220-L222 PolarHBondContact OG-N 3.35Å; S220-L222 VanDerWaalsContact OG-N 3.13Å; L222-G224 VanDerWaalsContact C-N 3.34Å; L222-G224 PolarHBondContact O-N 3.36Å; L222-N225 PolarHBondContact O-N 3.38Å; L222-N225 PolarHBondContact O-ND2 3.09Å; L222-P416 HydrophobicContact CD2-CB 3.82Å; L222-L417 HydrophobicContact CD1-CD1 4.29Å; L222-L417 HydrophobicContact CD2-CD1 3.78Å; L222-L417 HydrophobicContact CD2-CD2 4.47Å; L222-A420 HydrophobicContact CD1-CB 3.81Å
223	S	96.5	Very high	93.3	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.028	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-40.6	-167.9	72.1	0	0	0	0	112.6	F218 S220 N225 V226 D292	F218-S223 VanDerWaalsContact CE1-CA 3.48Å; F218-S223 VanDerWaalsContact CE1-CB 3.49Å; S220-S223 WeakPolarHBondContact O-CB 3.38Å; S220-S223 PolarHBondContact O-OG 3.29Å; S223-N225 PolarHBondContact O-N 3.11Å; S223-N225 VanDerWaalsContact O-N 3.16Å; S223-V226 WeakPolarHBondContact O-CG1 3.43Å; S223-V226 WeakPolarHBondContact O-CG2 3.34Å; S223-V226 PolarHBondContact O-N 3Å; S223-D292 WeakPolarHBondContact CB-OD2 3.42Å; S223-D292 PolarHBondContact N-OD1 3.37Å; S223-D292 PolarHBondContact N-OD2 3.41Å; S223-D292 PolarHBondContact OG-OD2 3.18Å
224	G	97.3	Very high	93.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.9	-176.1	0	0	0	0	0	114.7	L222 V226 I227 D292 R295	L222-G224 VanDerWaalsContact C-N 3.34Å; L222-G224 PolarHBondContact O-N 3.36Å; G224-V226 PolarHBondContact O-N 3.47Å; G224-I227 VanDerWaalsContact O-CB 3.27Å; G224-I227 WeakPolarHBondContact O-CB 3.43Å; G224-I227 WeakPolarHBondContact O-CD1 3.46Å; G224-I227 WeakPolarHBondContact O-CG1 3.33Å; G224-I227 PolarHBondContact O-N 2.86Å; G224-I227 VanDerWaalsContact O-N 3.11Å; G224-D292 VanDerWaalsContact CA-OD1 3.23Å; G224-D292 WeakPolarHBondContact CA-OD1 3.44Å; G224-D292 PolarHBondContact N-OD1 2.83Å; G224-R295 PolarHBondContact O-NE 3.49Å
225	N	98.3	Very high	94.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65	-20.4	174.1	-63.8	-63.3	0	0	0	112.6	F189 L222 S223 I227 D228 V229 W289 I290 R295	F189-N225 HydrophobicContact CE1-CB 3.97Å; F189-N225 HydrophobicContact CE2-CB 3.92Å; F189-N225 HydrophobicContact CZ-CB 3.42Å; F189-N225 VanDerWaalsContact CZ-CB 3.42Å; L222-N225 PolarHBondContact O-N 3.38Å; L222-N225 PolarHBondContact O-ND2 3.09Å; S223-N225 PolarHBondContact O-N 3.11Å; S223-N225 VanDerWaalsContact O-N 3.16Å; N225-I227 PolarHBondContact O-N 3.48Å; N225-I227 VanDerWaalsContact O-N 3.08Å; N225-D228 PolarHBondContact O-N 2.75Å; N225-D228 VanDerWaalsContact O-N 3.09Å; N225-V229 WeakPolarHBondContact O-CG2 3.46Å; N225-V229 PolarHBondContact O-N 3.49Å; N225-V229 VanDerWaalsContact O-N 3.09Å; N225-W289 HydrophobicContact CB-CE3 3.87Å; N225-W289 HydrophobicContact CB-CZ3 4.38Å; N225-I290 PolarHBondContact ND2-O 3.29Å; N225-I290 PolarHBondContact OD1-N 3.12Å; N225-I290 PolarHBondContact OD1-O 3.25Å; N225-I290 VanDerWaalsContact OD1-O 3.1Å; N225-R295 PolarHBondContact OD1-NH2 2.9Å
226	V	97.4	Very high	95.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.6	-20.2	173.4	-58.7	0	0	0	0	113	I173 C186 F189 F218 S223 G224 C230 L235	I173-V226 HydrophobicContact CD1-CG2 3.53Å; I173-V226 HydrophobicContact CG1-CG2 4.09Å; I173-V226 HydrophobicContact CG2-CG2 4.38Å; C186-V226 HydrophobicContact CB-CB 4.2Å; C186-V226 HydrophobicContact CB-CG1 4.27Å; F189-V226 HydrophobicContact CD1-CG1 3.49Å; F189-V226 VanDerWaalsContact CD1-CG1 3.49Å; F189-V226 HydrophobicContact CE1-CG1 4.05Å; F189-V226 HydrophobicContact CG-CG1 4.31Å; F218-V226 HydrophobicContact CE1-CG1 3.76Å; F218-V226 HydrophobicContact CZ-CG1 4.29Å; S223-V226 WeakPolarHBondContact O-CG1 3.43Å; S223-V226 WeakPolarHBondContact O-CG2 3.34Å; S223-V226 PolarHBondContact O-N 3Å; G224-V226 PolarHBondContact O-N 3.47Å; V226-C230 WeakPolarHBondContact O-CB 3.32Å; V226-C230 PolarHBondContact O-N 3.12Å; V226-C230 VanDerWaalsContact O-N 3.11Å; V226-L235 HydrophobicContact CB-CD1 4.07Å; V226-L235 HydrophobicContact CG2-CD1 3.94Å
227	I	98	Very high	95.6	Very high	12 Å²	12	11.3 Å²	11.3	6%	0.062	6%	0.061	C	C	.	.	H	α-helix	trans	-67.3	-47.2	175.4	-62.6	161.4	0	0	0	109.9	I173 G224 N225 C230 F296	I173-I227 HydrophobicContact CG1-CD1 4.05Å; I173-I227 HydrophobicContact CG1-CG1 4.17Å; I173-I227 HydrophobicContact CG2-CG1 4.31Å; G224-I227 VanDerWaalsContact O-CB 3.27Å; G224-I227 WeakPolarHBondContact O-CB 3.43Å; G224-I227 WeakPolarHBondContact O-CD1 3.46Å; G224-I227 WeakPolarHBondContact O-CG1 3.33Å; G224-I227 PolarHBondContact O-N 2.86Å; G224-I227 VanDerWaalsContact O-N 3.11Å; N225-I227 PolarHBondContact O-N 3.48Å; N225-I227 VanDerWaalsContact O-N 3.08Å; I227-C230 PolarHBondContact O-N 2.7Å; I227-F296 HydrophobicContact CD1-CE1 4.47Å; I227-F296 HydrophobicContact CD1-CZ 3.91Å
228	D	96.8	Very high	96.1	Very high	60 Å²	60	13.5 Å²	13.5	32%	0.321	7%	0.07	S	C	.	.	H	α-helix	trans	-71.8	-35.8	179.7	-60.2	-18.8	0	0	0	111.4	N225 C230 P279 R295	N225-D228 PolarHBondContact O-N 2.75Å; N225-D228 VanDerWaalsContact O-N 3.09Å; D228-C230 PolarHBondContact O-N 3.41Å; D228-P279 WeakPolarHBondContact OD2-CD 3.38Å; D228-P279 WeakPolarHBondContact OD2-CG 3.42Å; D228-R295 IonicContact OD1-CZ 2.96Å; D228-R295 IonicContact OD1-NH1 3.41Å; D228-R295 PolarHBondContact OD1-NH1 3.23Å; D228-R295 IonicContact OD2-CZ 3.34Å; D228-R295 IonicContact OD2-NH1 2.82Å; D228-R295 PolarHBondContact OD2-NH1 2.75Å; D228-R295 IonicContact OD2-NH2 2.75Å; D228-R295 PolarHBondContact OD2-NH2 3.5Å
229	V	96.3	Very high	96.4	Very high	1 Å²	1	15 Å²	15	1%	0.006	8%	0.08	C	C	.	.	H	α-helix	trans	-66.9	-25.9	177	172.7	0	0	0	0	112	L73 R185 F189 N225 P231 W289	L73-V229 HydrophobicContact CD1-CG1 4.04Å; R185-V229 HydrophobicContact CB-CG1 3.42Å; R185-V229 VanDerWaalsContact CB-CG1 3.42Å; R185-V229 WeakPolarHBondContact CD-O 3.17Å; R185-V229 HydrophobicContact CG-CG1 4.28Å; R185-V229 PolarHBondContact NH1-O 2.99Å; F189-V229 HydrophobicContact CD2-CG2 4.02Å; F189-V229 HydrophobicContact CG-CG2 4.4Å; N225-V229 WeakPolarHBondContact O-CG2 3.46Å; N225-V229 PolarHBondContact O-N 3.49Å; N225-V229 VanDerWaalsContact O-N 3.09Å; V229-P231 WeakPolarHBondContact O-CD 3.46Å; V229-W289 HydrophobicContact CG2-CE3 4.48Å; V229-W289 HydrophobicContact CG2-CH2 3.46Å; V229-W289 VanDerWaalsContact CG2-CH2 3.46Å; V229-W289 HydrophobicContact CG2-CZ3 3.29Å
230	C	98.1	Very high	97.2	Very high	11 Å²	11	11.5 Å²	11.5	7%	0.074	6%	0.063	C	C	.	.			trans	-72.6	117.1	-177	-155.2	0	0	0	0	110.6	V226 I227 D228 V232 L235	V226-C230 WeakPolarHBondContact O-CB 3.32Å; V226-C230 PolarHBondContact O-N 3.12Å; V226-C230 VanDerWaalsContact O-N 3.11Å; I227-C230 PolarHBondContact O-N 2.7Å; D228-C230 PolarHBondContact O-N 3.41Å; C230-V232 PolarHBondContact O-N 2.9Å; C230-V232 VanDerWaalsContact O-N 3.07Å; C230-V232 PolarHBondContact SG-O 2.84Å; C230-L235 HydrophobicContact CB-CB 4.07Å
231	P	97.9	Very high	97.1	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.013	7%	0.07	C	C	.	.	S	Bend	trans	-73.2	-1.6	179.7	30.8	-35.4	0	0	0	113.4	F67 D142 I181 V229	F67-P231 HydrophobicContact CD1-CB 3.97Å; F67-P231 HydrophobicContact CD1-CG 4.38Å; D142-P231 HydrophobicContact CB-CB 3.89Å; D142-P231 WeakPolarHBondContact CB-O 3.41Å; D142-P231 PolarHBondContact N-O 3.05Å; D142-P231 WeakPolarHBondContact OD2-CB 3.49Å; I181-P231 HydrophobicContact CD1-CG 4.07Å; V229-P231 WeakPolarHBondContact O-CD 3.46Å
232	V	98.3	Very high	97	Very high	1 Å²	1	18 Å²	18	1%	0.006	9%	0.094	C	C	.	.	S	Bend	trans	-139.8	159.7	-174.6	-66.3	0	0	0	0	109	L143 I181 C230 A234	L143-V232 HydrophobicContact CB-CG1 3.75Å; L143-V232 HydrophobicContact CD2-CG1 3.88Å; L143-V232 HydrophobicContact CG-CG1 4.44Å; I181-V232 HydrophobicContact CD1-CG1 4.24Å; I181-V232 HydrophobicContact CG1-CG1 4.22Å; I181-V232 HydrophobicContact CG1-CG2 4.45Å; I181-V232 HydrophobicContact CG2-CG1 4.12Å; C230-V232 PolarHBondContact O-N 2.9Å; C230-V232 VanDerWaalsContact O-N 3.07Å; C230-V232 PolarHBondContact SG-O 2.84Å; V232-A234 HydrophobicContact CG2-CB 3.81Å; V232-A234 PolarHBondContact O-N 3.1Å
233	G	97.5	Very high	96.9	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	41.5	177	0	0	0	0	0	114.7	R179	R179-G233 WeakPolarHBondContact CD-O 3.33Å; R179-G233 PolarHBondContact NH1-O 3.43Å
234	A	97.7	Very high	96.9	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.008	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-32.2	173.2	0	0	0	0	0	112	T175 I176 M177 R179 C180 V232	T175-A234 CarbonylContact C-O 3.58Å; T175-A234 VanDerWaalsContact CA-O 3.31Å; T175-A234 WeakPolarHBondContact CA-O 3.3Å; I176-A234 PolarHBondContact N-O 2.89Å; I176-A234 WeakPolarHBondContact O-CA 3.25Å; M177-A234 HydrophobicContact CE-CB 4.22Å; M177-A234 WeakPolarHBondContact CE-O 3.44Å; R179-A234 HydrophobicContact CB-CB 4.07Å; C180-A234 HydrophobicContact CB-CB 3.83Å; V232-A234 HydrophobicContact CG2-CB 3.81Å; V232-A234 PolarHBondContact O-N 3.1Å
235	L	97.8	Very high	96.8	Very high	8 Å²	8	23 Å²	23	4%	0.042	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	106	172.1	-59	176.4	0	0	0	107	I169 I173 K174 T175 M177 C186 V226 C230	I169-L235 HydrophobicContact CD1-CD2 4.25Å; I173-L235 HydrophobicContact CG2-CB 3.99Å; I173-L235 HydrophobicContact CG2-CD2 3.95Å; K174-L235 WeakPolarHBondContact O-CA 3.14Å; T175-L235 HydrophobicContact CG2-CD2 3.85Å; M177-L235 HydrophobicContact CE-CD2 3.43Å; M177-L235 VanDerWaalsContact CE-CD2 3.43Å; M177-L235 HydrophobicContact CE-CG 4.24Å; C186-L235 HydrophobicContact CB-CD1 3.6Å; V226-L235 HydrophobicContact CB-CD1 4.07Å; V226-L235 HydrophobicContact CG2-CD1 3.94Å; C230-L235 HydrophobicContact CB-CB 4.07Å
236	T	97.8	Very high	96.7	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.018	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	162.6	-179.9	65.9	0	0	0	0	110.6	D136 I173 K174 K238	D136-T236 HydrophobicContact CB-CG2 4.06Å; D136-T236 PolarHBondContact OD2-OG1 3.07Å; I173-T236 CarbonylContact C-O 3.54Å; K174-T236 PolarHBondContact N-O 3.03Å; K174-T236 PolarHBondContact O-N 3.28Å; T236-K238 PolarHBondContact O-N 2.91Å
237	S	97.6	Very high	96.7	Very high	15 Å²	15	32.1 Å²	32.1	11%	0.105	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	118.2	175.7	165.1	0	0	0	0	110.1	P239 Y240 A241 F296	S237-P239 WeakPolarHBondContact OG-CD 3.2Å; S237-Y240 PolarHBondContact O-N 3.17Å; S237-Y240 VanDerWaalsContact OG-CB 3.24Å; S237-Y240 WeakPolarHBondContact OG-CB 3.43Å; S237-Y240 PolarHBondContact OG-N 2.88Å; S237-A241 PolarHBondContact O-N 2.82Å; S237-F296 WeakPolarHBondContact OG-CE1 3.45Å
238	K	96.1	Very high	96.6	Very high	69 Å²	69	35.2 Å²	35.2	30%	0.3	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-42.4	176.2	-166.5	179.8	-63.8	-178.6	0	111.6	G170 P171 L172 K174 T236 Y240 A241	G170-K238 WeakPolarHBondContact O-CE 3.15Å; G170-K238 PolarHBondContact O-NZ 3.45Å; P171-K238 WeakPolarHBondContact O-CB 3.21Å; P171-K238 WeakPolarHBondContact O-CD 3.39Å; L172-K238 WeakPolarHBondContact O-CB 3.13Å; L172-K238 PolarHBondContact O-N 3.26Å; K174-K238 HydrophobicContact CB-CB 3.97Å; K174-K238 HydrophobicContact CB-CG 4.29Å; T236-K238 PolarHBondContact O-N 2.91Å; K238-Y240 VanDerWaalsContact C-N 3.28Å; K238-Y240 PolarHBondContact O-N 3.09Å; K238-A241 WeakPolarHBondContact O-CB 3.15Å; K238-A241 PolarHBondContact O-N 2.79Å
239	P	96.1	Very high	96.7	Very high	38 Å²	38	33.1 Å²	33.1	25%	0.247	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.6	174.7	-24.8	35.9	0	0	0	115	L172 S237 F296 T710	L172-P239 WeakPolarHBondContact O-CD 3.4Å; S237-P239 WeakPolarHBondContact OG-CD 3.2Å; P239-F296 HydrophobicContact CB-CD1 4.36Å; P239-F296 HydrophobicContact CG-CD1 3.77Å; P239-F296 HydrophobicContact CG-CE1 4.11Å; P239-T710 HydrophobicContact CB-CG2 4.41Å; P239-T710 HydrophobicContact CG-CG2 3.6Å
240	Y	96.9	Very high	96.8	Very high	8 Å²	8	42.4 Å²	42.4	3%	0.031	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-11.4	179.3	177.7	-113.1	0	0	0	113.1	S237 K238 F242 T243 A244 M275 R276	S237-Y240 PolarHBondContact O-N 3.17Å; S237-Y240 VanDerWaalsContact OG-CB 3.24Å; S237-Y240 WeakPolarHBondContact OG-CB 3.43Å; S237-Y240 PolarHBondContact OG-N 2.88Å; K238-Y240 VanDerWaalsContact C-N 3.28Å; K238-Y240 PolarHBondContact O-N 3.09Å; Y240-F242 PolarHBondContact O-N 2.97Å; Y240-T243 WeakPolarHBondContact CD2-OG1 3.49Å; Y240-T243 WeakPolarHBondContact CE2-OG1 2.87Å; Y240-T243 WeakPolarHBondContact O-CB 3.47Å; Y240-T243 WeakPolarHBondContact O-CG2 3.49Å; Y240-T243 PolarHBondContact O-N 3.36Å; Y240-T243 PolarHBondContact O-OG1 3.43Å; Y240-A244 HydrophobicContact CE2-CB 3.74Å; Y240-A244 WeakPolarHBondContact OH-CB 3.21Å; Y240-A244 PolarHBondContact OH-O 2.81Å; Y240-M275 WeakPolarHBondContact CD2-O 3.41Å; Y240-M275 HydrophobicContact CE2-CB 4Å; Y240-R276 HydrophobicContact CD2-CB 3.89Å; Y240-R276 HydrophobicContact CD2-CG 4.32Å; Y240-R276 HydrophobicContact CE2-CB 4.21Å; Y240-R276 HydrophobicContact CE2-CG 4.15Å; Y240-R276 HydrophobicContact CG-CB 4.28Å
241	A	92.9	Very high	96.8	Very high	20 Å²	20	48.3 Å²	48.3	17%	0.165	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	125	-169.7	0	0	0	0	0	112	K174 S237 K238 T243	K174-A241 HydrophobicContact CD-CB 4.08Å; S237-A241 PolarHBondContact O-N 2.82Å; K238-A241 WeakPolarHBondContact O-CB 3.15Å; K238-A241 PolarHBondContact O-N 2.79Å; A241-T243 PolarHBondContact O-N 2.89Å
242	F	94.5	Very high	96.8	Very high	123 Å²	123	49.5 Å²	49.5	54%	0.539	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	9.2	177.3	-43.9	-41.7	0	0	0	116.4	I134 D136 Y240	I134-F242 VanDerWaalsContact O-CE1 3.27Å; I134-F242 WeakPolarHBondContact O-CE1 3.5Å; D136-F242 WeakPolarHBondContact OD1-CD1 3.22Å; D136-F242 PolarHBondContact OD1-N 2.81Å; Y240-F242 PolarHBondContact O-N 2.97Å
243	T	95.1	Very high	96.8	Very high	58 Å²	58	53.8 Å²	53.8	36%	0.356	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-38.5	-178.4	62.1	0	0	0	0	112.6	Y240 A241 R270	Y240-T243 WeakPolarHBondContact CD2-OG1 3.49Å; Y240-T243 WeakPolarHBondContact CE2-OG1 2.87Å; Y240-T243 WeakPolarHBondContact O-CB 3.47Å; Y240-T243 WeakPolarHBondContact O-CG2 3.49Å; Y240-T243 PolarHBondContact O-N 3.36Å; Y240-T243 PolarHBondContact O-OG1 3.43Å; A241-T243 PolarHBondContact O-N 2.89Å; T243-R270 PolarHBondContact O-NH1 3.02Å; T243-R270 PolarHBondContact O-NH2 3.48Å
244	A	95.9	Very high	96.8	Very high	5 Å²	5	53.9 Å²	53.9	4%	0.041	25%	0.247	C	C	.	.			trans	-150.4	174.2	-174.9	0	0	0	0	0	113.1	Y240 E248 T249 M275	Y240-A244 HydrophobicContact CE2-CB 3.74Å; Y240-A244 WeakPolarHBondContact OH-CB 3.21Å; Y240-A244 PolarHBondContact OH-O 2.81Å; A244-E248 WeakPolarHBondContact CA-OE1 3.31Å; A244-E248 WeakPolarHBondContact CB-OE1 3.39Å; A244-T249 HydrophobicContact CB-CG2 4.39Å; A244-M275 HydrophobicContact CB-CB 4.35Å; A244-M275 HydrophobicContact CB-CG 4.11Å; A244-M275 HydrophobicContact CB-SD 4.13Å
245	R	96.8	Very high	96.9	Very high	48 Å²	48	54.1 Å²	54.1	18%	0.181	25%	0.248	C	C	.	.			trans	-122.2	149	175.3	-66.1	-63.4	-176.7	-179.1	-1.1	111.7	P133 C135 D136 W247 E248 T249	P133-R245 PolarHBondContact O-NH2 3.37Å; C135-R245 PolarHBondContact O-NH1 3.26Å; D136-R245 PolarHBondContact O-NH1 3.22Å; R245-W247 VanDerWaalsContact C-N 3.31Å; R245-W247 HydrophobicContact CB-CD2 4Å; R245-W247 HydrophobicContact CB-CE3 4.35Å; R245-W247 HydrophobicContact CB-CH2 4.02Å; R245-W247 HydrophobicContact CB-CZ2 3.62Å; R245-W247 HydrophobicContact CB-CZ3 4.37Å; R245-W247 HydrophobicContact CG-CH2 3.92Å; R245-W247 HydrophobicContact CG-CZ2 3.6Å; R245-W247 PolarHBondContact O-N 3Å; R245-E248 HydrophobicContact CB-CG 4Å; R245-E248 PolarHBondContact N-OE1 3.24Å; R245-E248 WeakPolarHBondContact O-CG 3.45Å; R245-E248 PolarHBondContact O-N 3.36Å; R245-T249 WeakPolarHBondContact O-CG2 3.45Å
246	P	96.1	Very high	96.9	Very high	12 Å²	12	53.8 Å²	53.8	8%	0.078	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-60	-38.4	-174.4	22	-33.8	0	0	0	113.4	E140 E248 T249	E140-P246 HydrophobicContact CB-CB 3.97Å; E140-P246 HydrophobicContact CB-CG 3.99Å; E140-P246 HydrophobicContact CG-CB 3.97Å; E140-P246 HydrophobicContact CG-CG 3.86Å; P246-E248 PolarHBondContact O-N 2.99Å; P246-T249 PolarHBondContact O-N 2.86Å; P246-T249 PolarHBondContact O-OG1 2.77Å
247	W	96.5	Very high	96.9	Very high	179 Å²	179	53.8 Å²	53.8	68%	0.678	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-73.9	-17.7	-175.9	58.3	76.8	0	0	0	115.3	G138 R245	G138-W247 VanDerWaalsContact O-CZ3 3.24Å; G138-W247 WeakPolarHBondContact O-CZ3 3.29Å; R245-W247 VanDerWaalsContact C-N 3.31Å; R245-W247 HydrophobicContact CB-CD2 4Å; R245-W247 HydrophobicContact CB-CE3 4.35Å; R245-W247 HydrophobicContact CB-CH2 4.02Å; R245-W247 HydrophobicContact CB-CZ2 3.62Å; R245-W247 HydrophobicContact CB-CZ3 4.37Å; R245-W247 HydrophobicContact CG-CH2 3.92Å; R245-W247 HydrophobicContact CG-CZ2 3.6Å; R245-W247 PolarHBondContact O-N 3Å
248	E	96.9	Very high	96.9	Very high	77 Å²	77	53.6 Å²	53.6	36%	0.36	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-92.5	-11.1	176.8	56.1	171.6	-164.8	0	0	113	A244 R245 P246 R270	A244-E248 WeakPolarHBondContact CA-OE1 3.31Å; A244-E248 WeakPolarHBondContact CB-OE1 3.39Å; R245-E248 HydrophobicContact CB-CG 4Å; R245-E248 PolarHBondContact N-OE1 3.24Å; R245-E248 WeakPolarHBondContact O-CG 3.45Å; R245-E248 PolarHBondContact O-N 3.36Å; P246-E248 PolarHBondContact O-N 2.99Å; E248-R270 VanDerWaalsContact OE1-CD 3.22Å; E248-R270 WeakPolarHBondContact OE1-CD 3.3Å; E248-R270 IonicContact OE1-CZ 3.55Å; E248-R270 IonicContact OE1-NE 3Å; E248-R270 IonicContact OE1-NH1 2.7Å; E248-R270 PolarHBondContact OE1-NH1 3.07Å; E248-R270 WeakPolarHBondContact OE2-CD 3.5Å; E248-R270 IonicContact OE2-NH1 3.15Å
249	T	97.6	Very high	97	Very high	16 Å²	16	50.5 Å²	50.5	10%	0.098	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-84.3	138.9	-176.9	61	0	0	0	0	112.2	A244 R245 P246 T269	A244-T249 HydrophobicContact CB-CG2 4.39Å; R245-T249 WeakPolarHBondContact O-CG2 3.45Å; P246-T249 PolarHBondContact O-N 2.86Å; P246-T249 PolarHBondContact O-OG1 2.77Å; T249-T269 CarbonylContact C-O 3.46Å; T249-T269 WeakPolarHBondContact CA-O 3.27Å
250	R	98.1	Very high	97.1	Very high	195 Å²	195	48.8 Å²	48.8	74%	0.736	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	134	166.4	-65.6	177	-177.2	-97.4	-1.1	108.5	S268 T269	R250-S268 CarbonylContact O-C 3.53Å; R250-S268 WeakPolarHBondContact O-CA 3.31Å; R250-T269 PolarHBondContact N-O 3.26Å; R250-T269 PolarHBondContact O-N 2.71Å
251	K	98.1	Very high	97.2	Very high	135 Å²	135	48.4 Å²	48.4	59%	0.587	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.9	-178.6	-63.9	-178.9	-176.6	-176.5	0	109.2	V266	K251-V266 HydrophobicContact CB-CG1 3.72Å; K251-V266 HydrophobicContact CD-CG1 4.49Å; K251-V266 HydrophobicContact CG-CG1 4.12Å
252	T	98.6	Very high	97.4	Very high	27 Å²	27	47.8 Å²	47.8	17%	0.166	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.2	174.3	-53.5	0	0	0	0	108.7	V266 V267 K611 A613	T252-V266 WeakPolarHBondContact O-CA 3.46Å; T252-V267 PolarHBondContact N-O 2.79Å; T252-V267 PolarHBondContact O-N 2.88Å; T252-K611 HydrophobicContact CG2-CB 3.75Å; T252-A613 HydrophobicContact CG2-CB 3.96Å
253	E	98.5	Very high	97.6	Very high	92 Å²	92	42 Å²	42	43%	0.43	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	127.3	172.7	-60.9	-174.5	-175.8	0	0	109.7	I265 R280 K611	E253-I265 WeakPolarHBondContact CA-O 3.22Å; E253-R280 WeakPolarHBondContact OE2-CD 3.24Å; E253-R280 IonicContact OE2-CZ 2.67Å; E253-R280 IonicContact OE2-NE 3.99Å; E253-R280 IonicContact OE2-NH1 2.62Å; E253-R280 PolarHBondContact OE2-NH1 3.33Å; E253-R280 VanDerWaalsContact OE2-NH1 3.11Å; E253-K611 WeakPolarHBondContact O-CB 3.22Å; E253-K611 WeakPolarHBondContact O-CD 3.46Å; E253-K611 WeakPolarHBondContact O-CG 3.19Å
254	S	98.4	Very high	97.8	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	-167.5	-177.3	-160.8	0	0	0	0	109.9	I265 T610 K611	S254-I265 VanDerWaalsContact C-CG1 3.5Å; S254-I265 PolarHBondContact N-O 2.64Å; S254-I265 WeakPolarHBondContact O-CG1 3.3Å; S254-I265 PolarHBondContact O-N 3.23Å; S254-T610 VanDerWaalsContact OG-CA 3.31Å; S254-T610 WeakPolarHBondContact OG-CA 3.42Å; S254-T610 WeakPolarHBondContact OG-CB 3.37Å; S254-K611 PolarHBondContact OG-N 2.93Å; S254-K611 VanDerWaalsContact OG-N 3.15Å
255	I	98.3	Very high	97.9	Very high	6 Å²	6	39 Å²	39	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.9	-177.1	-43.6	-67.5	0	0	0	108.8	N264 Y593 Q608 H609 T610	I255-N264 WeakPolarHBondContact CD1-OD1 3.5Å; I255-Y593 WeakPolarHBondContact O-CD2 3.13Å; I255-Q608 HydrophobicContact CD1-CB 3.86Å; I255-Q608 HydrophobicContact CD1-CG 4.35Å; I255-Q608 HydrophobicContact CG1-CB 3.84Å; I255-Q608 HydrophobicContact CG2-CB 4.36Å; I255-H609 WeakPolarHBondContact CG1-O 3.24Å; I255-T610 HydrophobicContact CB-CG2 4.37Å
256	D	98.2	Very high	98	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.011	17%	0.165	C	C	.	.			trans	-79.3	151.3	171	-174.1	25.9	0	0	0	112.6	L258 C263 I265 T294	D256-L258 VanDerWaalsContact OD1-CG 3.24Å; D256-L258 WeakPolarHBondContact OD1-CG 3.3Å; D256-L258 PolarHBondContact OD1-N 3.44Å; D256-C263 HydrophobicContact CB-CB 4.24Å; D256-C263 PolarHBondContact N-O 3.34Å; D256-I265 HydrophobicContact CB-CD1 4.49Å; D256-I265 HydrophobicContact CB-CG2 4.33Å; D256-T294 HydrophobicContact CB-CG2 3.67Å; D256-T294 VanDerWaalsContact OD2-CB 3.26Å; D256-T294 WeakPolarHBondContact OD2-CB 3.39Å; D256-T294 WeakPolarHBondContact OD2-CG2 3.35Å; D256-T294 PolarHBondContact OD2-OG1 3.17Å
257	V	98.3	Very high	98.1	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	16%	0.162	C	C	.	.			trans	-132	9.6	178.6	-55	0	0	0	0	113.1	D259 M349 A524 Y593 Y600	V257-D259 VanDerWaalsContact C-N 3.3Å; V257-M349 HydrophobicContact CG2-CG 4.15Å; V257-M349 HydrophobicContact CG2-SD 4.23Å; V257-A524 HydrophobicContact CB-CB 3.92Å; V257-A524 WeakPolarHBondContact O-CB 3.45Å; V257-Y593 HydrophobicContact CG1-CD2 4.36Å; V257-Y593 HydrophobicContact CG1-CG 4.32Å; V257-Y593 HydrophobicContact CG2-CD1 3.67Å; V257-Y593 HydrophobicContact CG2-CD2 4.09Å; V257-Y593 HydrophobicContact CG2-CE1 4.38Å; V257-Y593 HydrophobicContact CG2-CG 3.5Å; V257-Y593 VanDerWaalsContact CG2-CG 3.5Å; V257-Y600 HydrophobicContact CB-CE1 4.27Å; V257-Y600 HydrophobicContact CG1-CD1 3.83Å; V257-Y600 HydrophobicContact CG1-CD2 3.88Å; V257-Y600 HydrophobicContact CG1-CE1 3.66Å; V257-Y600 HydrophobicContact CG1-CE2 3.71Å; V257-Y600 HydrophobicContact CG1-CG 3.93Å
258	L	98.3	Very high	98.2	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.052	13%	0.129	C	C	.	.	S	Bend	trans	-80.8	-11.8	-178	-59.4	178.3	0	0	0	113.6	D256 K293 A297 I704	D256-L258 VanDerWaalsContact OD1-CG 3.24Å; D256-L258 WeakPolarHBondContact OD1-CG 3.3Å; D256-L258 PolarHBondContact OD1-N 3.44Å; L258-K293 HydrophobicContact CB-CD 3.82Å; L258-K293 HydrophobicContact CB-CG 4.29Å; L258-K293 HydrophobicContact CD1-CD 4.33Å; L258-K293 HydrophobicContact CD1-CG 3.88Å; L258-K293 WeakPolarHBondContact CD1-O 3.48Å; L258-A297 HydrophobicContact CD1-CB 3.65Å; L258-I704 HydrophobicContact CD2-CB 4.14Å; L258-I704 HydrophobicContact CD2-CD1 4.12Å
259	D	97.8	Very high	98.3	Very high	5 Å²	5	25 Å²	25	3%	0.027	11%	0.114	C	C	.	.	S	Bend	trans	-143.9	179.5	167.5	65.4	29	0	0	0	109.9	V257 V261 R522 A524	V257-D259 VanDerWaalsContact C-N 3.3Å; D259-V261 VanDerWaalsContact C-N 3.34Å; D259-V261 VanDerWaalsContact OD1-CB 3.29Å; D259-V261 WeakPolarHBondContact OD1-CB 3.47Å; D259-V261 PolarHBondContact OD1-N 3.18Å; D259-R522 WeakPolarHBondContact CA-O 3.27Å; D259-A524 WeakPolarHBondContact O-CB 3.4Å
260	A	98.2	Very high	98.3	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	13%	0.125	C	C	.	.	S	Bend	trans	-89.7	9.1	178.4	0	0	0	0	0	114.3	G262 H521 R522 V523 N602 T603	A260-G262 VanDerWaalsContact C-N 3.33Å; A260-H521 HydrophobicContact CB-CB 3.63Å; A260-H521 WeakPolarHBondContact CB-O 2.84Å; A260-R522 PolarHBondContact N-O 2.77Å; A260-V523 WeakPolarHBondContact CB-O 3.44Å; A260-N602 CarbonylContact O-C 3.58Å; A260-N602 WeakPolarHBondContact O-CA 3.31Å; A260-N602 WeakPolarHBondContact O-CB 3.19Å; A260-T603 PolarHBondContact O-N 3.36Å
261	V	98.6	Very high	98	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	13%	0.133	C	C	.	.	S	Bend	trans	-73.4	-32.8	177.3	-179.2	0	0	0	0	110.5	D259 I285 I395 A415 L417 N602	D259-V261 VanDerWaalsContact C-N 3.34Å; D259-V261 VanDerWaalsContact OD1-CB 3.29Å; D259-V261 WeakPolarHBondContact OD1-CB 3.47Å; D259-V261 PolarHBondContact OD1-N 3.18Å; V261-I285 HydrophobicContact CG1-CG2 3.63Å; V261-I395 HydrophobicContact CG1-CD1 3.96Å; V261-A415 HydrophobicContact CG2-CB 3.59Å; V261-L417 HydrophobicContact CG1-CB 4.26Å; V261-N602 VanDerWaalsContact O-CB 3.25Å; V261-N602 WeakPolarHBondContact O-CB 3.44Å; V261-N602 PolarHBondContact O-ND2 2.79Å
262	G	97.7	Very high	97.5	Very high	7 Å²	7	19.4 Å²	19.4	7%	0.072	13%	0.132	C	C	.	.			trans	67.7	51.9	-177.6	0	0	0	0	0	111.2	A260 N264 Q608	A260-G262 VanDerWaalsContact C-N 3.33Å; G262-N264 PolarHBondContact O-N 3.22Å; G262-Q608 PolarHBondContact O-OE1 2.89Å
263	C	98.4	Very high	97.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.144	C	C	.	.			trans	-64.3	137.7	-177.9	-66.2	0	0	0	0	111.5	D256 N286 I290 L417	D256-C263 HydrophobicContact CB-CB 4.24Å; D256-C263 PolarHBondContact N-O 3.34Å; C263-N286 HydrophobicContact CB-CB 4.07Å; C263-I290 HydrophobicContact CB-CG2 3.87Å; C263-L417 WeakPolarHBondContact SG-CD2 3.37Å
264	N	98.6	Very high	97.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131	177.1	-73.8	-10.7	0	0	0	110.5	I255 G262 R280 H282 N286 Q608	I255-N264 WeakPolarHBondContact CD1-OD1 3.5Å; G262-N264 PolarHBondContact O-N 3.22Å; N264-R280 HydrophobicContact CB-CB 4.02Å; N264-R280 VanDerWaalsContact CG-NH2 3.27Å; N264-R280 PolarHBondContact ND2-NH2 3.12Å; N264-R280 PolarHBondContact O-N 3.38Å; N264-H282 HydrophobicContact CB-CB 4.18Å; N264-H282 WeakPolarHBondContact ND2-CB 3.43Å; N264-H282 PolarHBondContact ND2-CD2 3.5Å; N264-N286 PolarHBondContact N-OD1 2.79Å; N264-N286 PolarHBondContact O-ND2 3.14Å; N264-Q608 PolarHBondContact OD1-NE2 3.47Å
265	I	98.7	Very high	97.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	161	-173.4	59.3	172.2	0	0	0	113	E253 S254 D256 V267 V277 M278 I290 T294 Y593	E253-I265 WeakPolarHBondContact CA-O 3.22Å; S254-I265 VanDerWaalsContact C-CG1 3.5Å; S254-I265 PolarHBondContact N-O 2.64Å; S254-I265 WeakPolarHBondContact O-CG1 3.3Å; S254-I265 PolarHBondContact O-N 3.23Å; D256-I265 HydrophobicContact CB-CD1 4.49Å; D256-I265 HydrophobicContact CB-CG2 4.33Å; I265-V267 HydrophobicContact CD1-CG2 3.87Å; I265-V267 HydrophobicContact CG1-CG2 4.35Å; I265-V277 HydrophobicContact CB-CG1 3.88Å; I265-V277 HydrophobicContact CD1-CG1 3.89Å; I265-V277 HydrophobicContact CG1-CG1 4.45Å; I265-V277 HydrophobicContact CG2-CG1 3.91Å; I265-M278 CarbonylContact C-O 3.55Å; I265-M278 VanDerWaalsContact CA-O 3.24Å; I265-M278 WeakPolarHBondContact CA-O 3.35Å; I265-M278 WeakPolarHBondContact CB-O 3.21Å; I265-I290 HydrophobicContact CG2-CG2 3.91Å; I265-T294 HydrophobicContact CG2-CG2 3.85Å; I265-Y593 HydrophobicContact CD1-CE2 3.97Å
266	V	98.8	Very high	97.3	Very high	17 Å²	17	19.6 Å²	19.6	10%	0.103	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	112.6	165.9	-176.1	0	0	0	0	108.4	K251 T252 S268 M278 R280	K251-V266 HydrophobicContact CB-CG1 3.72Å; K251-V266 HydrophobicContact CD-CG1 4.49Å; K251-V266 HydrophobicContact CG-CG1 4.12Å; T252-V266 WeakPolarHBondContact O-CA 3.46Å; V266-S268 PolarHBondContact O-N 2.79Å; V266-M278 HydrophobicContact CB-CB 4.44Å; V266-M278 HydrophobicContact CB-CE 4.3Å; V266-M278 HydrophobicContact CG1-CE 4.18Å; V266-M278 PolarHBondContact N-O 2.95Å; V266-M278 PolarHBondContact O-N 2.95Å; V266-R280 HydrophobicContact CG2-CB 3.96Å; V266-R280 HydrophobicContact CG2-CG 4.43Å
267	V	98.7	Very high	97.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	112.5	174.7	-173.5	0	0	0	0	107.9	T252 I265 T269 V274 T594 A613	T252-V267 PolarHBondContact N-O 2.79Å; T252-V267 PolarHBondContact O-N 2.88Å; I265-V267 HydrophobicContact CD1-CG2 3.87Å; I265-V267 HydrophobicContact CG1-CG2 4.35Å; V267-T269 HydrophobicContact CG1-CG2 3.93Å; V267-V274 HydrophobicContact CG1-CB 4.38Å; V267-V274 HydrophobicContact CG1-CG1 3.68Å; V267-V274 HydrophobicContact CG1-CG2 3.87Å; V267-T594 HydrophobicContact CG1-CG2 4.34Å; V267-T594 HydrophobicContact CG2-CG2 4.21Å; V267-A613 HydrophobicContact CB-CB 3.99Å; V267-A613 HydrophobicContact CG1-CB 3.83Å
268	S	98.4	Very high	97.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.9	178.2	-59.3	0	0	0	0	109.7	R250 V266 M275 R276	R250-S268 CarbonylContact O-C 3.53Å; R250-S268 WeakPolarHBondContact O-CA 3.31Å; V266-S268 PolarHBondContact O-N 2.79Å; S268-M275 PolarHBondContact O-N 3.12Å; S268-R276 PolarHBondContact N-O 3.45Å; S268-R276 PolarHBondContact O-N 3.12Å
269	T	98.3	Very high	97.3	Very high	7 Å²	7	21.6 Å²	21.6	4%	0.043	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151.5	-173.6	68.6	0	0	0	0	112	T249 R250 V267 E273 V274 A613 V614	T249-T269 CarbonylContact C-O 3.46Å; T249-T269 WeakPolarHBondContact CA-O 3.27Å; R250-T269 PolarHBondContact N-O 3.26Å; R250-T269 PolarHBondContact O-N 2.71Å; V267-T269 HydrophobicContact CG1-CG2 3.93Å; T269-E273 CarbonylContact C-O 3.53Å; T269-E273 VanDerWaalsContact CA-O 3.24Å; T269-E273 WeakPolarHBondContact CA-O 3.43Å; T269-E273 WeakPolarHBondContact CB-O 3.28Å; T269-V274 HydrophobicContact CG2-CG2 4.3Å; T269-A613 HydrophobicContact CG2-CB 4.04Å; T269-V614 HydrophobicContact CG2-CG1 3.63Å
270	R	97.2	Very high	97.3	Very high	87 Å²	87	24.9 Å²	24.9	33%	0.328	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	133.9	173.1	-172.6	-172	67.9	-174.3	-6.4	108.7	T243 E248 G272 E273 M275	T243-R270 PolarHBondContact O-NH1 3.02Å; T243-R270 PolarHBondContact O-NH2 3.48Å; E248-R270 VanDerWaalsContact OE1-CD 3.22Å; E248-R270 WeakPolarHBondContact OE1-CD 3.3Å; E248-R270 IonicContact OE1-CZ 3.55Å; E248-R270 IonicContact OE1-NE 3Å; E248-R270 IonicContact OE1-NH1 2.7Å; E248-R270 PolarHBondContact OE1-NH1 3.07Å; E248-R270 WeakPolarHBondContact OE2-CD 3.5Å; E248-R270 IonicContact OE2-NH1 3.15Å; R270-G272 PolarHBondContact O-N 2.92Å; R270-E273 PolarHBondContact N-O 3.41Å; R270-E273 PolarHBondContact O-N 2.82Å; R270-M275 HydrophobicContact CB-CE 4.27Å; R270-M275 HydrophobicContact CB-CG 3.62Å; R270-M275 HydrophobicContact CB-SD 4.09Å
271	G	91.8	Very high	97.2	Very high	87 Å²	87	29.6 Å²	29.6	90%	0.897	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	26.3	177.1	0	0	0	0	0	115	E273	G271-E273 VanDerWaalsContact C-N 3.32Å
272	G	88.6	Confident	97.2	Very high	54 Å²	54	30.6 Å²	30.6	56%	0.557	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.4	11	-176.4	0	0	0	0	0	114.5	R270 V614	R270-G272 PolarHBondContact O-N 2.92Å; G272-V614 WeakPolarHBondContact O-CB 3.12Å; G272-V614 VanDerWaalsContact O-CG1 3.26Å; G272-V614 WeakPolarHBondContact O-CG1 3.44Å
273	E	94.5	Very high	97.1	Very high	91 Å²	91	34.3 Å²	34.3	43%	0.425	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.8	-179.4	-176.9	-172.5	171.5	0	0	110.5	T269 R270 G271 M275 K302	T269-E273 CarbonylContact C-O 3.53Å; T269-E273 VanDerWaalsContact CA-O 3.24Å; T269-E273 WeakPolarHBondContact CA-O 3.43Å; T269-E273 WeakPolarHBondContact CB-O 3.28Å; R270-E273 PolarHBondContact N-O 3.41Å; R270-E273 PolarHBondContact O-N 2.82Å; G271-E273 VanDerWaalsContact C-N 3.32Å; E273-M275 HydrophobicContact CB-CE 3.46Å; E273-M275 VanDerWaalsContact CB-CE 3.46Å; E273-M275 VanDerWaalsContact CD-CE 3.5Å; E273-M275 HydrophobicContact CG-CE 3.49Å; E273-M275 VanDerWaalsContact CG-CE 3.49Å; E273-M275 WeakPolarHBondContact O-CE 3.41Å; E273-M275 PolarHBondContact O-N 2.8Å; E273-K302 HydrophobicContact CG-CD 3.98Å; E273-K302 WeakPolarHBondContact OE1-CD 3.44Å; E273-K302 WeakPolarHBondContact OE1-CE 3.41Å; E273-K302 IonicContact OE1-NZ 3.65Å; E273-K302 PolarHBondContact OE1-NZ 2.86Å
274	V	97.9	Very high	97.1	Very high	5 Å²	5	37 Å²	37	3%	0.03	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	120.5	175.4	-179	0	0	0	0	109.6	V267 T269 V277 Y298 L301 K302 V614	V267-V274 HydrophobicContact CG1-CB 4.38Å; V267-V274 HydrophobicContact CG1-CG1 3.68Å; V267-V274 HydrophobicContact CG1-CG2 3.87Å; T269-V274 HydrophobicContact CG2-CG2 4.3Å; V274-V277 HydrophobicContact CG1-CG2 4.38Å; V274-Y298 HydrophobicContact CG1-CD2 4.21Å; V274-Y298 HydrophobicContact CG1-CG 4.25Å; V274-L301 HydrophobicContact CG2-CD1 4.49Å; V274-K302 WeakPolarHBondContact O-CE 3.12Å; V274-K302 PolarHBondContact O-NZ 2.98Å; V274-V614 HydrophobicContact CG2-CG1 4Å; V274-V614 HydrophobicContact CG2-CG2 4.06Å
275	M	97.6	Very high	97	Very high	8 Å²	8	37 Å²	37	4%	0.039	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-42.6	-178.4	-63.7	-66	116.3	0	0	112.1	Y240 A244 S268 R270 E273 Y298	Y240-M275 WeakPolarHBondContact CD2-O 3.41Å; Y240-M275 HydrophobicContact CE2-CB 4Å; A244-M275 HydrophobicContact CB-CB 4.35Å; A244-M275 HydrophobicContact CB-CG 4.11Å; A244-M275 HydrophobicContact CB-SD 4.13Å; S268-M275 PolarHBondContact O-N 3.12Å; R270-M275 HydrophobicContact CB-CE 4.27Å; R270-M275 HydrophobicContact CB-CG 3.62Å; R270-M275 HydrophobicContact CB-SD 4.09Å; E273-M275 HydrophobicContact CB-CE 3.46Å; E273-M275 VanDerWaalsContact CB-CE 3.46Å; E273-M275 VanDerWaalsContact CD-CE 3.5Å; E273-M275 HydrophobicContact CG-CE 3.49Å; E273-M275 VanDerWaalsContact CG-CE 3.49Å; E273-M275 WeakPolarHBondContact O-CE 3.41Å; E273-M275 PolarHBondContact O-N 2.8Å; M275-Y298 WeakPolarHBondContact O-CE2 3.47Å; M275-Y298 VanDerWaalsContact O-CZ 3.26Å; M275-Y298 PolarHBondContact O-OH 3.41Å
276	R	97.9	Very high	97	Very high	26 Å²	26	37.1 Å²	37.1	10%	0.098	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	163	177.2	63.8	176.7	-177.3	-172	2.1	111.4	E140 Y240 S268 M278	E140-R276 IonicContact OE1-CZ 3.62Å; E140-R276 IonicContact OE1-NH1 2.84Å; E140-R276 PolarHBondContact OE1-NH1 2.97Å; E140-R276 IonicContact OE1-NH2 2.93Å; E140-R276 PolarHBondContact OE1-NH2 2.9Å; E140-R276 IonicContact OE2-CZ 3.71Å; E140-R276 IonicContact OE2-NH1 3.72Å; E140-R276 IonicContact OE2-NH2 3.4Å; E140-R276 PolarHBondContact OE2-NH2 3.23Å; Y240-R276 HydrophobicContact CD2-CB 3.89Å; Y240-R276 HydrophobicContact CD2-CG 4.32Å; Y240-R276 HydrophobicContact CE2-CB 4.21Å; Y240-R276 HydrophobicContact CE2-CG 4.15Å; Y240-R276 HydrophobicContact CG-CB 4.28Å; S268-R276 PolarHBondContact N-O 3.45Å; S268-R276 PolarHBondContact O-N 3.12Å; R276-M278 HydrophobicContact CG-CG 4.5Å; R276-M278 VanDerWaalsContact CZ-SD 3.51Å; R276-M278 PolarHBondContact NE-SD 2.93Å; R276-M278 PolarHBondContact NH2-SD 2.84Å
277	V	98.6	Very high	96.9	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.5	172.8	-179.6	0	0	0	0	108.8	I265 V274 I290 Y298	I265-V277 HydrophobicContact CB-CG1 3.88Å; I265-V277 HydrophobicContact CD1-CG1 3.89Å; I265-V277 HydrophobicContact CG1-CG1 4.45Å; I265-V277 HydrophobicContact CG2-CG1 3.91Å; V274-V277 HydrophobicContact CG1-CG2 4.38Å; V277-I290 HydrophobicContact CG1-CD1 4.33Å; V277-Y298 HydrophobicContact CG2-CD1 4.31Å; V277-Y298 HydrophobicContact CG2-CG 4.39Å
278	M	98.1	Very high	96.8	Very high	30 Å²	30	38.8 Å²	38.8	15%	0.148	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	154.8	178.4	-61.3	-176.6	-52.5	0	0	109.8	I265 V266 R276	I265-M278 CarbonylContact C-O 3.55Å; I265-M278 VanDerWaalsContact CA-O 3.24Å; I265-M278 WeakPolarHBondContact CA-O 3.35Å; I265-M278 WeakPolarHBondContact CB-O 3.21Å; V266-M278 HydrophobicContact CB-CB 4.44Å; V266-M278 HydrophobicContact CB-CE 4.3Å; V266-M278 HydrophobicContact CG1-CE 4.18Å; V266-M278 PolarHBondContact N-O 2.95Å; V266-M278 PolarHBondContact O-N 2.95Å; R276-M278 HydrophobicContact CG-CG 4.5Å; R276-M278 VanDerWaalsContact CZ-SD 3.51Å; R276-M278 PolarHBondContact NE-SD 2.93Å; R276-M278 PolarHBondContact NH2-SD 2.84Å
279	P	98.3	Very high	96.8	Very high	25 Å²	25	38.9 Å²	38.9	16%	0.162	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	151.4	171.2	27.7	-33	0	0	0	111.2	D228 E288 I290	D228-P279 WeakPolarHBondContact OD2-CD 3.38Å; D228-P279 WeakPolarHBondContact OD2-CG 3.42Å; P279-E288 WeakPolarHBondContact CB-O 3.38Å; P279-E288 WeakPolarHBondContact CG-O 3.44Å; P279-I290 HydrophobicContact CB-CG1 4.15Å; P279-I290 HydrophobicContact CB-CG2 3.98Å; P279-I290 HydrophobicContact CG-CG1 4.42Å
280	R	97.7	Very high	96.8	Very high	73 Å²	73	38.6 Å²	38.6	28%	0.275	22%	0.218	S	C	.	.			trans	-114.4	138.9	165.1	-178.1	173.4	70.1	111.4	9.4	108.3	E253 N264 V266 H282 N286	E253-R280 WeakPolarHBondContact OE2-CD 3.24Å; E253-R280 IonicContact OE2-CZ 2.67Å; E253-R280 IonicContact OE2-NE 3.99Å; E253-R280 IonicContact OE2-NH1 2.62Å; E253-R280 PolarHBondContact OE2-NH1 3.33Å; E253-R280 VanDerWaalsContact OE2-NH1 3.11Å; N264-R280 HydrophobicContact CB-CB 4.02Å; N264-R280 VanDerWaalsContact CG-NH2 3.27Å; N264-R280 PolarHBondContact ND2-NH2 3.12Å; N264-R280 PolarHBondContact O-N 3.38Å; V266-R280 HydrophobicContact CG2-CB 3.96Å; V266-R280 HydrophobicContact CG2-CG 4.43Å; R280-H282 PolarHBondContact O-N 2.92Å; R280-N286 PolarHBondContact O-ND2 3.23Å
281	L	97.3	Very high	96.9	Very high	100 Å²	100	34.4 Å²	34.4	52%	0.524	20%	0.202	S	C	.	.			trans	-60.5	124.8	-179.3	-180	65	0	0	0	111	E287 E288	L281-E287 CarbonylContact C-O 3.16Å; L281-E287 WeakPolarHBondContact CA-O 3.36Å; L281-E287 WeakPolarHBondContact CD1-O 3.09Å; L281-E288 HydrophobicContact CD1-CB 4.36Å
282	H	97.9	Very high	97.2	Very high	22 Å²	22	30.3 Å²	30.3	10%	0.102	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-152.7	104.7	169.1	-164.1	-90.2	0	0	0	110.5	N264 R280 D284 I285 N286 E287 D661	N264-H282 HydrophobicContact CB-CB 4.18Å; N264-H282 WeakPolarHBondContact ND2-CB 3.43Å; N264-H282 PolarHBondContact ND2-CD2 3.5Å; R280-H282 PolarHBondContact O-N 2.92Å; H282-D284 PolarHBondContact ND1-N 2.98Å; H282-D284 PolarHBondContact O-N 3.19Å; H282-I285 WeakPolarHBondContact ND1-CG1 3.25Å; H282-I285 PolarHBondContact ND1-N 3.01Å; H282-I285 PolarHBondContact O-N 2.95Å; H282-N286 PolarHBondContact O-N 2.93Å; H282-E287 PolarHBondContact N-O 2.91Å; H282-E287 VanDerWaalsContact O-CA 3.31Å; H282-E287 WeakPolarHBondContact O-CA 3.46Å; H282-E287 PolarHBondContact O-N 3.35Å; H282-D661 IonicContact CE1-OD1 3.58Å; H282-D661 IonicContact NE2-OD1 2.8Å; H282-D661 PolarHBondContact NE2-OD1 2.97Å; H282-D661 IonicContact NE2-OD2 2.93Å
283	E	96.9	Very high	97.6	Very high	85 Å²	85	28 Å²	28	40%	0.397	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-43.8	-177.5	-61.2	-58.3	152.8	0	0	112.2	R72 I285 R421	R72-E283 IonicContact CZ-OE1 3.55Å; R72-E283 IonicContact CZ-OE2 2.73Å; R72-E283 IonicContact NH1-OE1 2.68Å; R72-E283 IonicContact NH1-OE2 2.78Å; R72-E283 PolarHBondContact NH1-OE2 3.14Å; R72-E283 IonicContact NH2-OE1 3.56Å; R72-E283 PolarHBondContact NH2-OE1 2.91Å; R72-E283 IonicContact NH2-OE2 3.58Å; R72-E283 PolarHBondContact NH2-OE2 3.03Å; E283-I285 VanDerWaalsContact C-N 3.28Å; E283-I285 PolarHBondContact O-N 3.05Å; E283-R421 PolarHBondContact O-NH1 3.2Å; E283-R421 PolarHBondContact O-NH2 2.73Å
284	D	97.3	Very high	97.8	Very high	57 Å²	57	23.6 Å²	23.6	31%	0.305	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-16	-170.2	-62.4	-16.9	0	0	0	114.5	H282 T396 R606	H282-D284 PolarHBondContact ND1-N 2.98Å; H282-D284 PolarHBondContact O-N 3.19Å; D284-T396 VanDerWaalsContact CA-CG2 3.48Å; D284-T396 HydrophobicContact CB-CG2 4.23Å; D284-R606 IonicContact OD2-CZ 3.14Å; D284-R606 IonicContact OD2-NH1 2.66Å; D284-R606 IonicContact OD2-NH2 2.76Å; D284-R606 PolarHBondContact OD2-NH2 3.43Å
285	I	97.6	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-79.8	-173.1	-62.1	169.1	0	0	0	109.8	V261 H282 E283 I395 R421	V261-I285 HydrophobicContact CG1-CG2 3.63Å; H282-I285 WeakPolarHBondContact ND1-CG1 3.25Å; H282-I285 PolarHBondContact ND1-N 3.01Å; H282-I285 PolarHBondContact O-N 2.95Å; E283-I285 VanDerWaalsContact C-N 3.28Å; E283-I285 PolarHBondContact O-N 3.05Å; I285-I395 HydrophobicContact CB-CD1 4.42Å; I285-I395 HydrophobicContact CG1-CD1 4.4Å; I285-I395 HydrophobicContact CG2-CD1 4.06Å; I285-R421 PolarHBondContact O-NH2 3.43Å
286	N	97.7	Very high	97.9	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.011	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	0.1	-165.1	66.4	-66.2	0	0	0	113.1	C263 N264 R280 H282 E288 W289 L417	C263-N286 HydrophobicContact CB-CB 4.07Å; N264-N286 PolarHBondContact N-OD1 2.79Å; N264-N286 PolarHBondContact O-ND2 3.14Å; R280-N286 PolarHBondContact O-ND2 3.23Å; H282-N286 PolarHBondContact O-N 2.93Å; N286-E288 PolarHBondContact O-N 3.37Å; N286-W289 VanDerWaalsContact CB-O 3.27Å; N286-W289 WeakPolarHBondContact CB-O 3.39Å; N286-W289 PolarHBondContact ND2-O 3.4Å; N286-W289 PolarHBondContact O-N 2.91Å; N286-L417 HydrophobicContact CB-CG 4.22Å
287	E	96.6	Very high	97.9	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.037	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	49.4	-102.1	-163.7	-75.3	170.6	146.9	0	0	108	R72 L281 H282 R421 K424	R72-E287 IonicContact CZ-OE1 3.94Å; R72-E287 IonicContact NE-OE1 3.83Å; R72-E287 IonicContact NH1-OE1 3.32Å; R72-E287 PolarHBondContact NH1-OE1 2.87Å; L281-E287 CarbonylContact C-O 3.16Å; L281-E287 WeakPolarHBondContact CA-O 3.36Å; L281-E287 WeakPolarHBondContact CD1-O 3.09Å; H282-E287 PolarHBondContact N-O 2.91Å; H282-E287 VanDerWaalsContact O-CA 3.31Å; H282-E287 WeakPolarHBondContact O-CA 3.46Å; H282-E287 PolarHBondContact O-N 3.35Å; E287-R421 VanDerWaalsContact CD-NH1 3.31Å; E287-R421 IonicContact OE1-NH1 3.97Å; E287-R421 PolarHBondContact OE1-NH1 2.84Å; E287-K424 IonicContact OE1-NZ 3.18Å; E287-K424 PolarHBondContact OE1-NZ 3.46Å
288	E	96.1	Very high	97.9	Very high	44 Å²	44	22.7 Å²	22.7	21%	0.206	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	15.8	180	52.6	174.5	-94.3	0	0	111.9	H70 R72 P279 L281 N286	H70-E288 IonicContact CE1-OE1 2.65Å; H70-E288 PolarHBondContact CE1-OE1 3.37Å; H70-E288 IonicContact CE1-OE2 3.41Å; H70-E288 IonicContact NE2-OE1 2.66Å; H70-E288 PolarHBondContact NE2-OE1 3.4Å; R72-E288 HydrophobicContact CG-CG 4.01Å; R72-E288 WeakPolarHBondContact CG-OE2 3.49Å; R72-E288 IonicContact NE-OE2 2.74Å; P279-E288 WeakPolarHBondContact CB-O 3.38Å; P279-E288 WeakPolarHBondContact CG-O 3.44Å; L281-E288 HydrophobicContact CD1-CB 4.36Å; N286-E288 PolarHBondContact O-N 3.37Å
289	W	98.3	Very high	97.9	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.011	11%	0.108	C	C	.	.			trans	-104.6	155.6	-178.6	-46.7	125.7	0	0	0	110.7	H70 R72 F189 N225 V229 N286 L417	H70-W289 AromaticContact CE1-CH2 3.44Å; H70-W289 VanDerWaalsContact CE1-CH2 3.44Å; H70-W289 WeakPolarHBondContact CE1-CH2 3.37Å; H70-W289 AromaticContact CE1-CZ2 3.92Å; H70-W289 AromaticContact NE2-CH2 3.79Å; R72-W289 HydrophobicContact CB-CZ2 3.74Å; R72-W289 HydrophobicContact CG-CZ2 4.11Å; F189-W289 HydrophobicContact CD2-CE3 4.44Å; F189-W289 AromaticContact CD2-CH2 3.76Å; F189-W289 HydrophobicContact CD2-CH2 3.76Å; F189-W289 AromaticContact CD2-CZ2 3.95Å; F189-W289 HydrophobicContact CD2-CZ2 3.95Å; F189-W289 HydrophobicContact CD2-CZ3 4.05Å; F189-W289 AromaticContact CE2-CD2 3.75Å; F189-W289 HydrophobicContact CE2-CD2 3.75Å; F189-W289 AromaticContact CE2-CE2 3.84Å; F189-W289 AromaticContact CE2-CE3 3.7Å; F189-W289 HydrophobicContact CE2-CE3 3.7Å; F189-W289 AromaticContact CE2-CH2 3.8Å; F189-W289 HydrophobicContact CE2-CH2 3.8Å; F189-W289 AromaticContact CE2-CZ2 3.84Å; F189-W289 HydrophobicContact CE2-CZ2 3.84Å; F189-W289 AromaticContact CE2-CZ3 3.76Å; F189-W289 HydrophobicContact CE2-CZ3 3.76Å; F189-W289 HydrophobicContact CZ-CE3 4.47Å; N225-W289 HydrophobicContact CB-CE3 3.87Å; N225-W289 HydrophobicContact CB-CZ3 4.38Å; V229-W289 HydrophobicContact CG2-CE3 4.48Å; V229-W289 HydrophobicContact CG2-CH2 3.46Å; V229-W289 VanDerWaalsContact CG2-CH2 3.46Å; V229-W289 HydrophobicContact CG2-CZ3 3.29Å; N286-W289 VanDerWaalsContact CB-O 3.27Å; N286-W289 WeakPolarHBondContact CB-O 3.39Å; N286-W289 PolarHBondContact ND2-O 3.4Å; N286-W289 PolarHBondContact O-N 2.91Å; W289-L417 HydrophobicContact CB-CD1 3.6Å
290	I	98.7	Very high	97.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.1	C	C	.	.			trans	-140.5	158.8	165.9	48.6	171.8	0	0	0	109.8	N225 C263 I265 V277 P279 T294 R295	N225-I290 PolarHBondContact ND2-O 3.29Å; N225-I290 PolarHBondContact OD1-N 3.12Å; N225-I290 PolarHBondContact OD1-O 3.25Å; N225-I290 VanDerWaalsContact OD1-O 3.1Å; C263-I290 HydrophobicContact CB-CG2 3.87Å; I265-I290 HydrophobicContact CG2-CG2 3.91Å; V277-I290 HydrophobicContact CG1-CD1 4.33Å; P279-I290 HydrophobicContact CB-CG1 4.15Å; P279-I290 HydrophobicContact CB-CG2 3.98Å; P279-I290 HydrophobicContact CG-CG1 4.42Å; I290-T294 HydrophobicContact CB-CG2 3.96Å; I290-T294 HydrophobicContact CD1-CG2 4.09Å; I290-T294 HydrophobicContact CG2-CG2 4.03Å; I290-R295 HydrophobicContact CD1-CB 3.9Å; I290-R295 HydrophobicContact CD1-CG 4.36Å; I290-R295 HydrophobicContact CG1-CB 4.36Å
291	S	98.6	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.			trans	-69	158	176.3	84.7	0	0	0	0	112.1	K293 T294 R295	S291-K293 PolarHBondContact O-N 3.2Å; S291-K293 PolarHBondContact OG-N 3.19Å; S291-T294 WeakPolarHBondContact O-CB 3.06Å; S291-T294 PolarHBondContact O-N 2.74Å; S291-T294 PolarHBondContact OG-N 2.85Å; S291-T294 VanDerWaalsContact OG-N 3.1Å; S291-T294 PolarHBondContact OG-OG1 3.4Å; S291-R295 WeakPolarHBondContact O-CB 3.23Å; S291-R295 PolarHBondContact O-N 3.48Å
292	D	98.4	Very high	97.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63	-31.8	174.8	-75.2	-22	0	0	0	112.1	L172 E221 S223 G224 R295 F296 Y699	L172-D292 HydrophobicContact CD1-CB 3.94Å; E221-D292 WeakPolarHBondContact O-CB 3.27Å; E221-D292 PolarHBondContact O-N 2.9Å; S223-D292 WeakPolarHBondContact CB-OD2 3.42Å; S223-D292 PolarHBondContact N-OD1 3.37Å; S223-D292 PolarHBondContact N-OD2 3.41Å; S223-D292 PolarHBondContact OG-OD2 3.18Å; G224-D292 VanDerWaalsContact CA-OD1 3.23Å; G224-D292 WeakPolarHBondContact CA-OD1 3.44Å; G224-D292 PolarHBondContact N-OD1 2.83Å; D292-R295 PolarHBondContact O-N 3.45Å; D292-F296 HydrophobicContact CB-CD2 4.15Å; D292-F296 HydrophobicContact CB-CE2 4.38Å; D292-F296 WeakPolarHBondContact O-CB 3.41Å; D292-F296 WeakPolarHBondContact O-CD2 3.45Å; D292-F296 PolarHBondContact O-N 2.96Å; D292-Y699 HydrophobicContact CB-CE1 4.17Å
293	K	98.3	Very high	97.5	Very high	5 Å²	5	20.7 Å²	20.7	2%	0.022	9%	0.094	C	C	.	.	H	α-helix	trans	-61.3	-51.9	172.8	-170.9	-166.7	-60.5	174.7	0	110.5	L258 S291 R295 F296 A297 F698 T701 M711	L258-K293 HydrophobicContact CB-CD 3.82Å; L258-K293 HydrophobicContact CB-CG 4.29Å; L258-K293 HydrophobicContact CD1-CD 4.33Å; L258-K293 HydrophobicContact CD1-CG 3.88Å; L258-K293 WeakPolarHBondContact CD1-O 3.48Å; S291-K293 PolarHBondContact O-N 3.2Å; S291-K293 PolarHBondContact OG-N 3.19Å; K293-R295 VanDerWaalsContact C-N 3.31Å; K293-R295 PolarHBondContact O-N 3.46Å; K293-F296 PolarHBondContact O-N 3.17Å; K293-A297 WeakPolarHBondContact O-CB 3.35Å; K293-A297 PolarHBondContact O-N 2.92Å; K293-F698 HydrophobicContact CB-CE1 3.98Å; K293-F698 HydrophobicContact CB-CE2 4.42Å; K293-F698 HydrophobicContact CB-CZ 3.67Å; K293-F698 WeakPolarHBondContact CE-O 3.49Å; K293-F698 PolarHBondContact NZ-O 2.98Å; K293-T701 WeakPolarHBondContact CE-OG1 3.32Å; K293-T701 VanDerWaalsContact NZ-CG2 3.27Å; K293-T701 PolarHBondContact NZ-OG1 3.43Å; K293-M711 HydrophobicContact CB-SD 4.47Å; K293-M711 HydrophobicContact CG-SD 4.33Å
294	T	98.6	Very high	97.4	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-55	-45.9	175.6	-47.9	0	0	0	0	111.9	D256 I265 I290 S291	D256-T294 HydrophobicContact CB-CG2 3.67Å; D256-T294 VanDerWaalsContact OD2-CB 3.26Å; D256-T294 WeakPolarHBondContact OD2-CB 3.39Å; D256-T294 WeakPolarHBondContact OD2-CG2 3.35Å; D256-T294 PolarHBondContact OD2-OG1 3.17Å; I265-T294 HydrophobicContact CG2-CG2 3.85Å; I290-T294 HydrophobicContact CB-CG2 3.96Å; I290-T294 HydrophobicContact CD1-CG2 4.09Å; I290-T294 HydrophobicContact CG2-CG2 4.03Å; S291-T294 WeakPolarHBondContact O-CB 3.06Å; S291-T294 PolarHBondContact O-N 2.74Å; S291-T294 PolarHBondContact OG-N 2.85Å; S291-T294 VanDerWaalsContact OG-N 3.1Å; S291-T294 PolarHBondContact OG-OG1 3.4Å
295	R	98.6	Very high	97.4	Very high	10 Å²	10	20.8 Å²	20.8	4%	0.038	9%	0.091	C	C	.	.	H	α-helix	trans	-68.5	-36.5	-174.6	-175.1	174.8	-66	-85.1	-1.4	113.3	G224 N225 D228 I290 S291 D292 K293 Y298	G224-R295 PolarHBondContact O-NE 3.49Å; N225-R295 PolarHBondContact OD1-NH2 2.9Å; D228-R295 IonicContact OD1-CZ 2.96Å; D228-R295 IonicContact OD1-NH1 3.41Å; D228-R295 PolarHBondContact OD1-NH1 3.23Å; D228-R295 IonicContact OD2-CZ 3.34Å; D228-R295 IonicContact OD2-NH1 2.82Å; D228-R295 PolarHBondContact OD2-NH1 2.75Å; D228-R295 IonicContact OD2-NH2 2.75Å; D228-R295 PolarHBondContact OD2-NH2 3.5Å; I290-R295 HydrophobicContact CD1-CB 3.9Å; I290-R295 HydrophobicContact CD1-CG 4.36Å; I290-R295 HydrophobicContact CG1-CB 4.36Å; S291-R295 WeakPolarHBondContact O-CB 3.23Å; S291-R295 PolarHBondContact O-N 3.48Å; D292-R295 PolarHBondContact O-N 3.45Å; K293-R295 VanDerWaalsContact C-N 3.31Å; K293-R295 PolarHBondContact O-N 3.46Å; R295-Y298 WeakPolarHBondContact O-CD1 3.38Å; R295-Y298 WeakPolarHBondContact O-CE1 3.34Å
296	F	98.6	Very high	97.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-117.9	-11.8	-165.3	-61.6	-65	0	0	0	115.3	L172 I227 S237 P239 D292 K293 Y298 T710 M711	L172-F296 HydrophobicContact CB-CD2 4.4Å; L172-F296 HydrophobicContact CB-CE2 3.79Å; L172-F296 HydrophobicContact CB-CZ 3.94Å; L172-F296 HydrophobicContact CD1-CD2 3.89Å; L172-F296 HydrophobicContact CD1-CE2 3.74Å; L172-F296 HydrophobicContact CD2-CB 4.27Å; L172-F296 HydrophobicContact CD2-CD1 4.29Å; L172-F296 HydrophobicContact CD2-CD2 3.43Å; L172-F296 VanDerWaalsContact CD2-CD2 3.43Å; L172-F296 HydrophobicContact CD2-CE2 3.73Å; L172-F296 HydrophobicContact CD2-CG 3.75Å; L172-F296 HydrophobicContact CD2-CZ 4.25Å; L172-F296 HydrophobicContact CG-CD2 4.09Å; L172-F296 HydrophobicContact CG-CE2 3.95Å; I227-F296 HydrophobicContact CD1-CE1 4.47Å; I227-F296 HydrophobicContact CD1-CZ 3.91Å; S237-F296 WeakPolarHBondContact OG-CE1 3.45Å; P239-F296 HydrophobicContact CB-CD1 4.36Å; P239-F296 HydrophobicContact CG-CD1 3.77Å; P239-F296 HydrophobicContact CG-CE1 4.11Å; D292-F296 HydrophobicContact CB-CD2 4.15Å; D292-F296 HydrophobicContact CB-CE2 4.38Å; D292-F296 WeakPolarHBondContact O-CB 3.41Å; D292-F296 WeakPolarHBondContact O-CD2 3.45Å; D292-F296 PolarHBondContact O-N 2.96Å; K293-F296 PolarHBondContact O-N 3.17Å; F296-Y298 PolarHBondContact O-N 3.04Å; F296-Y298 VanDerWaalsContact O-N 3.15Å; F296-T710 HydrophobicContact CB-CG2 3.85Å; F296-T710 HydrophobicContact CG-CG2 4.39Å; F296-M711 HydrophobicContact CB-CE 3.6Å
297	A	98.1	Very high	97.4	Very high	2 Å²	2	23.7 Å²	23.7	2%	0.017	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-71.7	-3	179.3	0	0	0	0	0	114.4	L258 K293 D299 G300 I704 M711	L258-A297 HydrophobicContact CD1-CB 3.65Å; K293-A297 WeakPolarHBondContact O-CB 3.35Å; K293-A297 PolarHBondContact O-N 2.92Å; A297-D299 PolarHBondContact O-N 3.46Å; A297-D299 VanDerWaalsContact O-N 3.17Å; A297-G300 WeakPolarHBondContact O-CA 3.3Å; A297-G300 PolarHBondContact O-N 2.76Å; A297-I704 HydrophobicContact CB-CG2 4.35Å; A297-I704 WeakPolarHBondContact O-CG2 3.27Å; A297-M711 HydrophobicContact CB-CG 4.49Å
298	Y	98.1	Very high	97.5	Very high	10 Å²	10	27.1 Å²	27.1	4%	0.039	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-63.1	-19.8	179.9	70.2	-93.4	0	0	0	113.9	V274 M275 V277 R295 F296 G300 L301	V274-Y298 HydrophobicContact CG1-CD2 4.21Å; V274-Y298 HydrophobicContact CG1-CG 4.25Å; M275-Y298 WeakPolarHBondContact O-CE2 3.47Å; M275-Y298 VanDerWaalsContact O-CZ 3.26Å; M275-Y298 PolarHBondContact O-OH 3.41Å; V277-Y298 HydrophobicContact CG2-CD1 4.31Å; V277-Y298 HydrophobicContact CG2-CG 4.39Å; R295-Y298 WeakPolarHBondContact O-CD1 3.38Å; R295-Y298 WeakPolarHBondContact O-CE1 3.34Å; F296-Y298 PolarHBondContact O-N 3.04Å; F296-Y298 VanDerWaalsContact O-N 3.15Å; Y298-G300 VanDerWaalsContact C-N 3.28Å; Y298-L301 WeakPolarHBondContact O-CB 3.4Å; Y298-L301 PolarHBondContact O-N 3.18Å
299	D	97.3	Very high	97.6	Very high	23 Å²	23	25 Å²	25	12%	0.123	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-70.6	-26.1	171.5	67.8	-23.3	0	0	0	112.2	A297 L301 K302 S708 Q709 T710	A297-D299 PolarHBondContact O-N 3.46Å; A297-D299 VanDerWaalsContact O-N 3.17Å; D299-L301 VanDerWaalsContact C-N 3.29Å; D299-L301 PolarHBondContact O-N 3.32Å; D299-K302 PolarHBondContact O-N 2.82Å; D299-S708 VanDerWaalsContact CG-OG 3.23Å; D299-S708 WeakPolarHBondContact OD1-CB 3.22Å; D299-S708 PolarHBondContact OD1-OG 2.69Å; D299-S708 PolarHBondContact OD2-OG 3.15Å; D299-Q709 PolarHBondContact OD2-N 3.17Å; D299-Q709 VanDerWaalsContact OD2-N 3.1Å; D299-T710 WeakPolarHBondContact OD2-CB 3.44Å; D299-T710 PolarHBondContact OD2-N 3.2Å; D299-T710 PolarHBondContact OD2-OG1 3.13Å
300	G	97.5	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-60.8	-37.1	171.6	0	0	0	0	0	112.1	A297 Y298 K302 R303 H576	A297-G300 WeakPolarHBondContact O-CA 3.3Å; A297-G300 PolarHBondContact O-N 2.76Å; Y298-G300 VanDerWaalsContact C-N 3.28Å; G300-K302 PolarHBondContact O-N 2.87Å; G300-R303 PolarHBondContact O-N 3.36Å; G300-H576 PolarHBondContact O-NE2 2.79Å
301	L	97.1	Very high	97.6	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.042	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-59.6	-13.3	178.3	-66.7	172.1	0	0	0	114.5	V274 Y298 D299 R305 A592 Y593 T594 I704	V274-L301 HydrophobicContact CG2-CD1 4.49Å; Y298-L301 WeakPolarHBondContact O-CB 3.4Å; Y298-L301 PolarHBondContact O-N 3.18Å; D299-L301 VanDerWaalsContact C-N 3.29Å; D299-L301 PolarHBondContact O-N 3.32Å; L301-R305 VanDerWaalsContact O-CD 3.24Å; L301-R305 WeakPolarHBondContact O-CD 3.38Å; L301-R305 VanDerWaalsContact O-CG 3.23Å; L301-R305 WeakPolarHBondContact O-CG 3.4Å; L301-R305 PolarHBondContact O-NH1 3.02Å; L301-A592 HydrophobicContact CD2-CB 3.54Å; L301-Y593 HydrophobicContact CD1-CE1 4.15Å; L301-Y593 HydrophobicContact CD2-CD1 4.43Å; L301-Y593 HydrophobicContact CD2-CE1 4.23Å; L301-T594 HydrophobicContact CD1-CG2 3.82Å; L301-I704 HydrophobicContact CD2-CD1 3.87Å; L301-I704 HydrophobicContact CD2-CG1 4.33Å; L301-I704 HydrophobicContact CD2-CG2 4.04Å; L301-I704 HydrophobicContact CG-CG2 4.04Å
302	K	94.2	Very high	97.4	Very high	89 Å²	89	30.3 Å²	30.3	39%	0.387	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-104.8	-4.5	-178.9	-55.4	174.9	-167.6	176.6	0	113.1	E273 V274 D299 G300	E273-K302 HydrophobicContact CG-CD 3.98Å; E273-K302 WeakPolarHBondContact OE1-CD 3.44Å; E273-K302 WeakPolarHBondContact OE1-CE 3.41Å; E273-K302 IonicContact OE1-NZ 3.65Å; E273-K302 PolarHBondContact OE1-NZ 2.86Å; V274-K302 WeakPolarHBondContact O-CE 3.12Å; V274-K302 PolarHBondContact O-NZ 2.98Å; D299-K302 PolarHBondContact O-N 2.82Å; G300-K302 PolarHBondContact O-N 2.87Å
303	R	95.3	Very high	97.1	Very high	88 Å²	88	33.3 Å²	33.3	33%	0.332	16%	0.156	S	C	.	.	S	Bend	trans	-120.4	146.3	-172	-62.9	-173.8	72.3	-136.2	7.8	110.4	G300 R305 H576 A707 Q709	G300-R303 PolarHBondContact O-N 3.36Å; R303-R305 PolarHBondContact O-N 3.43Å; R303-H576 PolarHBondContact O-CD2 2.78Å; R303-H576 PolarHBondContact O-NE2 3.49Å; R303-A707 PolarHBondContact NH1-O 3.35Å; R303-Q709 VanDerWaalsContact CZ-NE2 3.29Å
304	Q	94.6	Very high	96.7	Very high	113 Å²	113	43.7 Å²	43.7	53%	0.528	20%	0.201	S	C	.	.	S	Bend	trans	51.6	30.4	176.6	-60.5	179.8	-4.5	0	0	114	H576 G577	Q304-H576 WeakPolarHBondContact O-CA 3.42Å; Q304-G577 PolarHBondContact O-N 2.64Å
305	R	97.8	Very high	96.3	Very high	31 Å²	31	47.6 Å²	47.6	12%	0.117	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-74.6	136.1	-179.4	-68.5	-60.5	-57.8	-79.2	1.2	111.2	L301 R303 T307 H575 H576 E595 P617	L301-R305 VanDerWaalsContact O-CD 3.24Å; L301-R305 WeakPolarHBondContact O-CD 3.38Å; L301-R305 VanDerWaalsContact O-CG 3.23Å; L301-R305 WeakPolarHBondContact O-CG 3.4Å; L301-R305 PolarHBondContact O-NH1 3.02Å; R303-R305 PolarHBondContact O-N 3.43Å; R305-T307 HydrophobicContact CB-CG2 4.29Å; R305-T307 PolarHBondContact O-N 3.2Å; R305-H575 WeakPolarHBondContact CA-O 3.46Å; R305-H575 WeakPolarHBondContact CD-O 3.28Å; R305-H575 PolarHBondContact NE-O 3.08Å; R305-H576 WeakPolarHBondContact CD-NE2 3.44Å; R305-E595 IonicContact CZ-OE1 3.46Å; R305-E595 IonicContact CZ-OE2 3.14Å; R305-E595 IonicContact NH1-OE1 3.24Å; R305-E595 PolarHBondContact NH1-OE1 3.26Å; R305-E595 IonicContact NH1-OE2 2.79Å; R305-E595 IonicContact NH2-OE1 3.86Å; R305-E595 PolarHBondContact NH2-OE1 3.44Å; R305-E595 IonicContact NH2-OE2 2.63Å; R305-E595 PolarHBondContact NH2-OE2 3.32Å; R305-P617 HydrophobicContact CB-CG 4.26Å
306	L	97.9	Very high	95.8	Very high	13 Å²	13	49.3 Å²	49.3	7%	0.068	25%	0.249	C	C	.	.			trans	-77.6	112.4	169	-62.1	176.4	0	0	0	108.4	Y572 G574 H575 H576 A581 I587 P589	L306-Y572 HydrophobicContact CD1-CD1 3.98Å; L306-Y572 HydrophobicContact CD1-CE1 3.54Å; L306-G574 WeakPolarHBondContact CD1-O 3.43Å; L306-H575 PolarHBondContact N-O 2.63Å; L306-H576 WeakPolarHBondContact CD1-O 3.46Å; L306-A581 HydrophobicContact CD1-CB 4.49Å; L306-I587 HydrophobicContact CD1-CG2 3.66Å; L306-I587 HydrophobicContact CD2-CG2 4.09Å; L306-I587 HydrophobicContact CG-CG2 4.34Å; L306-P589 HydrophobicContact CB-CB 3.94Å; L306-P589 VanDerWaalsContact O-CB 3.25Å; L306-P589 WeakPolarHBondContact O-CB 3.44Å
307	T	97.6	Very high	95.6	Very high	51 Å²	51	55.7 Å²	55.7	31%	0.313	28%	0.279	S	S	.	.			trans	-112.6	-13.5	-173.2	54.4	0	0	0	0	113.3	R305 P617 M619	R305-T307 HydrophobicContact CB-CG2 4.29Å; R305-T307 PolarHBondContact O-N 3.2Å; T307-P617 HydrophobicContact CG2-CB 4.12Å; T307-P617 HydrophobicContact CG2-CG 4.22Å; T307-M619 WeakPolarHBondContact O-CA 3.31Å; T307-M619 WeakPolarHBondContact O-CB 3.27Å; T307-M619 PolarHBondContact O-N 3.33Å
308	Q	97.6	Very high	95.5	Very high	79 Å²	79	58.2 Å²	58.2	37%	0.369	29%	0.291	S	S	.	.	S	Bend	trans	-142.1	144.9	-177.3	-57.4	-171	0.1	0	0	109.6	P320 M619	Q308-P320 HydrophobicContact CB-CB 4.42Å; Q308-P320 VanDerWaalsContact OE1-CB 3.24Å; Q308-M619 HydrophobicContact CB-CE 3.58Å; Q308-M619 HydrophobicContact CG-CE 3.45Å; Q308-M619 VanDerWaalsContact CG-CE 3.45Å
309	P	98.4	Very high	95.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.306	C	S	.	.			trans	-57.4	140.2	167.4	-21.6	33.5	0	0	0	110.3	P320 T321 W323 A326 I587 P589	P309-P320 CarbonylContact O-C 3.55Å; P309-P320 WeakPolarHBondContact O-CA 3.43Å; P309-T321 HydrophobicContact CB-CG2 4.2Å; P309-T321 PolarHBondContact O-N 3.3Å; P309-W323 HydrophobicContact CG-CD2 3.6Å; P309-W323 HydrophobicContact CG-CE3 4.01Å; P309-W323 HydrophobicContact CG-CG 3.85Å; P309-W323 HydrophobicContact CG-CZ2 4.2Å; P309-W323 HydrophobicContact CG-CZ3 4.46Å; P309-A326 HydrophobicContact CB-CB 3.8Å; P309-I587 WeakPolarHBondContact CA-O 3.48Å; P309-P589 HydrophobicContact CG-CG 4.23Å
310	M	98.3	Very high	95.5	Very high	47 Å²	47	63 Å²	63	23%	0.232	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.5	176.9	-55.5	-178.2	-179.7	0	0	110.6	L318 T319 I586 I587	M310-L318 HydrophobicContact CB-CB 4.25Å; M310-L318 HydrophobicContact CB-CD2 4.15Å; M310-L318 HydrophobicContact SD-CB 4.43Å; M310-T319 CarbonylContact C-O 3.55Å; M310-T319 VanDerWaalsContact CA-O 3.23Å; M310-T319 WeakPolarHBondContact CA-O 3.31Å; M310-I586 CarbonylContact O-C 3.47Å; M310-I586 WeakPolarHBondContact O-CA 3.33Å; M310-I587 HydrophobicContact CB-CB 4.17Å; M310-I587 PolarHBondContact N-O 3.19Å; M310-I587 PolarHBondContact O-N 2.87Å
311	V	97.9	Very high	95.5	Very high	10 Å²	10	64.3 Å²	64.3	6%	0.061	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.8	176.8	175.7	0	0	0	0	108.6	D313 T319 T321 A326 I586	V311-D313 PolarHBondContact O-N 2.79Å; V311-T319 PolarHBondContact N-O 3.34Å; V311-T319 PolarHBondContact O-N 3.18Å; V311-T319 PolarHBondContact O-OG1 2.69Å; V311-T321 HydrophobicContact CB-CG2 4.3Å; V311-T321 HydrophobicContact CG2-CG2 3.64Å; V311-A326 HydrophobicContact CG2-CB 4.31Å; V311-I586 HydrophobicContact CG1-CG1 4.44Å; V311-I586 HydrophobicContact CG2-CG1 4.25Å; V311-I586 HydrophobicContact CG2-CG2 4.11Å
312	K	95.7	Very high	95.5	Very high	58 Å²	58	67.4 Å²	67.4	25%	0.252	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	125.2	171.9	-78.2	-173.2	-173.5	145	0	110.8	Q317 L318 M583 A584 D585	K312-Q317 WeakPolarHBondContact CA-O 3.38Å; K312-L318 HydrophobicContact CG-CD2 3.86Å; K312-L318 HydrophobicContact CG-CG 4.05Å; K312-M583 PolarHBondContact NZ-O 3.23Å; K312-A584 WeakPolarHBondContact CE-O 3.44Å; K312-A584 PolarHBondContact NZ-O 3.1Å; K312-D585 HydrophobicContact CD-CB 4.47Å; K312-D585 WeakPolarHBondContact CD-OD1 3.41Å; K312-D585 PolarHBondContact N-O 2.8Å; K312-D585 IonicContact NZ-OD1 2.82Å; K312-D585 PolarHBondContact NZ-OD1 2.51Å
313	D	92.3	Very high	95.7	Very high	63 Å²	63	64.7 Å²	64.7	34%	0.337	34%	0.339	S	S	.	.			trans	-78.8	-176.2	173.5	75.6	-1.1	0	0	0	111.7	V311 S315 G316 Q317 T319	V311-D313 PolarHBondContact O-N 2.79Å; D313-S315 VanDerWaalsContact CG-OG 3.23Å; D313-S315 PolarHBondContact O-N 2.98Å; D313-S315 VanDerWaalsContact OD1-CA 3.28Å; D313-S315 WeakPolarHBondContact OD1-CA 3.46Å; D313-S315 VanDerWaalsContact OD1-CB 3.32Å; D313-S315 WeakPolarHBondContact OD1-CB 3.37Å; D313-S315 PolarHBondContact OD1-N 2.82Å; D313-S315 PolarHBondContact OD1-OG 2.79Å; D313-S315 PolarHBondContact OD2-OG 2.93Å; D313-S315 VanDerWaalsContact OD2-OG 3.06Å; D313-G316 PolarHBondContact O-N 3.06Å; D313-G316 PolarHBondContact OD1-N 3Å; D313-Q317 PolarHBondContact N-O 2.85Å; D313-Q317 PolarHBondContact OD1-N 3.4Å; D313-T319 HydrophobicContact CB-CG2 4.08Å
314	K	89.2	Confident	95.8	Very high	223 Å²	223	66.7 Å²	66.7	97%	0.97	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19	177.7	-63.8	-178.3	-178.5	178	0	113.5	G316	K314-G316 VanDerWaalsContact C-N 3.31Å
315	S	89.4	Confident	95.9	Very high	82 Å²	82	63.9 Å²	63.9	57%	0.573	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-8.4	175.4	81.3	0	0	0	0	112.7	D313	D313-S315 VanDerWaalsContact CG-OG 3.23Å; D313-S315 PolarHBondContact O-N 2.98Å; D313-S315 VanDerWaalsContact OD1-CA 3.28Å; D313-S315 WeakPolarHBondContact OD1-CA 3.46Å; D313-S315 VanDerWaalsContact OD1-CB 3.32Å; D313-S315 WeakPolarHBondContact OD1-CB 3.37Å; D313-S315 PolarHBondContact OD1-N 2.82Å; D313-S315 PolarHBondContact OD1-OG 2.79Å; D313-S315 PolarHBondContact OD2-OG 2.93Å; D313-S315 VanDerWaalsContact OD2-OG 3.06Å
316	G	89.3	Confident	95.9	Very high	45 Å²	45	62.4 Å²	62.4	46%	0.464	34%	0.335	S	S	.	.	S	Bend	trans	84.9	8.4	-177.5	0	0	0	0	0	113.8	D313 K314	D313-G316 PolarHBondContact O-N 3.06Å; D313-G316 PolarHBondContact OD1-N 3Å; K314-G316 VanDerWaalsContact C-N 3.31Å
317	Q	94.5	Very high	95.9	Very high	135 Å²	135	62.6 Å²	62.6	63%	0.631	34%	0.336	S	S	*	.			trans	-94.1	140.8	177.4	-64.8	-170.6	18.1	0	0	111.1	K312 D313 T319	K312-Q317 WeakPolarHBondContact CA-O 3.38Å; D313-Q317 PolarHBondContact N-O 2.85Å; D313-Q317 PolarHBondContact OD1-N 3.4Å; Q317-T319 PolarHBondContact O-N 2.75Å
318	L	96	Very high	95.9	Very high	54 Å²	54	64.1 Å²	64.1	28%	0.283	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	119.7	174.2	-74.8	161.9	0	0	0	109.7	M310 K312 I587	M310-L318 HydrophobicContact CB-CB 4.25Å; M310-L318 HydrophobicContact CB-CD2 4.15Å; M310-L318 HydrophobicContact SD-CB 4.43Å; K312-L318 HydrophobicContact CG-CD2 3.86Å; K312-L318 HydrophobicContact CG-CG 4.05Å; L318-I587 HydrophobicContact CD1-CD1 3.54Å; L318-I587 HydrophobicContact CD1-CG1 4.43Å; L318-I587 HydrophobicContact CD2-CD1 4.08Å; L318-I587 HydrophobicContact CD2-CG1 4.2Å; L318-I587 HydrophobicContact CG-CD1 4.39Å
319	T	97.1	Very high	95.9	Very high	55 Å²	55	66.3 Å²	66.3	34%	0.337	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.7	178.8	57.4	0	0	0	0	109.9	M310 V311 D313 Q317	M310-T319 CarbonylContact C-O 3.55Å; M310-T319 VanDerWaalsContact CA-O 3.23Å; M310-T319 WeakPolarHBondContact CA-O 3.31Å; V311-T319 PolarHBondContact N-O 3.34Å; V311-T319 PolarHBondContact O-N 3.18Å; V311-T319 PolarHBondContact O-OG1 2.69Å; D313-T319 HydrophobicContact CB-CG2 4.08Å; Q317-T319 PolarHBondContact O-N 2.75Å
320	P	97.4	Very high	95.8	Very high	79 Å²	79	66.3 Å²	66.3	51%	0.513	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	138.3	175.7	-20.6	31.1	0	0	0	112.1	Q308 P309	Q308-P320 HydrophobicContact CB-CB 4.42Å; Q308-P320 VanDerWaalsContact OE1-CB 3.24Å; P309-P320 CarbonylContact O-C 3.55Å; P309-P320 WeakPolarHBondContact O-CA 3.43Å
321	T	97.6	Very high	95.7	Very high	28 Å²	28	64.2 Å²	64.2	17%	0.172	34%	0.34	C	S	.	.			trans	-139.2	177.6	178.9	-166.9	0	0	0	0	111.2	P309 V311 D325 A326	P309-T321 HydrophobicContact CB-CG2 4.2Å; P309-T321 PolarHBondContact O-N 3.3Å; V311-T321 HydrophobicContact CB-CG2 4.3Å; V311-T321 HydrophobicContact CG2-CG2 3.64Å; T321-D325 WeakPolarHBondContact OG1-CB 3.38Å; T321-D325 PolarHBondContact OG1-OD2 3.26Å; T321-A326 HydrophobicContact CG2-CB 3.95Å
322	T	97.8	Very high	95.6	Very high	72 Å²	72	65.3 Å²	65.3	44%	0.442	35%	0.354	S	S	.	.			trans	-82.9	161	175.6	81.1	0	0	0	0	111.4	E324 D325 A326	T322-E324 VanDerWaalsContact C-N 3.27Å; T322-E324 WeakPolarHBondContact CB-OE2 3.38Å; T322-E324 PolarHBondContact O-N 2.87Å; T322-E324 PolarHBondContact OG1-N 2.74Å; T322-E324 PolarHBondContact OG1-OE2 2.85Å; T322-D325 PolarHBondContact O-N 3.14Å; T322-D325 PolarHBondContact OG1-N 2.78Å; T322-A326 PolarHBondContact O-N 2.82Å; T322-A326 VanDerWaalsContact O-N 3.13Å
323	W	98.2	Very high	95.6	Very high	33 Å²	33	63.2 Å²	63.2	13%	0.125	35%	0.348	C	S	.	.	H	α-helix	trans	-60.2	-38.6	175.4	-85.1	108.9	0	0	0	111.7	P309 D325 A326 L327 L588 P589 M619 R621 I626	P309-W323 HydrophobicContact CG-CD2 3.6Å; P309-W323 HydrophobicContact CG-CE3 4.01Å; P309-W323 HydrophobicContact CG-CG 3.85Å; P309-W323 HydrophobicContact CG-CZ2 4.2Å; P309-W323 HydrophobicContact CG-CZ3 4.46Å; W323-D325 PolarHBondContact O-N 3.19Å; W323-A326 PolarHBondContact O-N 2.78Å; W323-L327 HydrophobicContact CB-CD1 4.32Å; W323-L327 HydrophobicContact CE3-CD1 3.97Å; W323-L327 HydrophobicContact CE3-CD2 4.02Å; W323-L327 HydrophobicContact CE3-CG 3.89Å; W323-L327 HydrophobicContact CZ3-CD2 4.17Å; W323-L327 VanDerWaalsContact O-CB 3.23Å; W323-L327 WeakPolarHBondContact O-CB 3.48Å; W323-L327 WeakPolarHBondContact O-CD1 3.36Å; W323-L327 WeakPolarHBondContact O-CG 3.5Å; W323-L327 PolarHBondContact O-N 3.3Å; W323-L588 HydrophobicContact CH2-CB 4.3Å; W323-L588 HydrophobicContact CZ3-CB 4.18Å; W323-L588 HydrophobicContact CZ3-CD2 3.98Å; W323-P589 HydrophobicContact CH2-CG 4.06Å; W323-P589 HydrophobicContact CZ2-CG 3.68Å; W323-M619 VanDerWaalsContact CZ2-O 3.31Å; W323-M619 WeakPolarHBondContact CZ2-O 3.43Å; W323-M619 PolarHBondContact NE1-O 2.8Å; W323-R621 HydrophobicContact CZ2-CB 4.27Å; W323-R621 HydrophobicContact CZ2-CG 3.87Å; W323-I626 HydrophobicContact CH2-CD1 3.63Å; W323-I626 HydrophobicContact CH2-CG1 3.65Å; W323-I626 HydrophobicContact CH2-CG2 4.23Å; W323-I626 HydrophobicContact CZ2-CD1 4.43Å; W323-I626 HydrophobicContact CZ2-CG1 4.47Å; W323-I626 HydrophobicContact CZ3-CD1 4.39Å; W323-I626 HydrophobicContact CZ3-CG1 4.06Å; W323-I626 HydrophobicContact CZ3-CG2 3.91Å
324	E	97.4	Very high	95.7	Very high	129 Å²	129	60.4 Å²	60.4	60%	0.603	33%	0.332	S	S	*	.	H	α-helix	trans	-61.8	-46.8	-179.1	-58.2	77.3	-169.4	0	0	111.8	T322 T328	T322-E324 VanDerWaalsContact C-N 3.27Å; T322-E324 WeakPolarHBondContact CB-OE2 3.38Å; T322-E324 PolarHBondContact O-N 2.87Å; T322-E324 PolarHBondContact OG1-N 2.74Å; T322-E324 PolarHBondContact OG1-OE2 2.85Å; E324-T328 WeakPolarHBondContact O-CB 3.37Å; E324-T328 PolarHBondContact O-N 2.85Å; E324-T328 PolarHBondContact O-OG1 2.71Å
325	D	96.9	Very high	95.9	Very high	54 Å²	54	55.1 Å²	55.1	29%	0.289	31%	0.311	S	S	.	.	H	α-helix	trans	-66.9	-46.1	178.6	179	47.9	0	0	0	111.4	T321 T322 W323 T328 R329	T321-D325 WeakPolarHBondContact OG1-CB 3.38Å; T321-D325 PolarHBondContact OG1-OD2 3.26Å; T322-D325 PolarHBondContact O-N 3.14Å; T322-D325 PolarHBondContact OG1-N 2.78Å; W323-D325 PolarHBondContact O-N 3.19Å; D325-T328 PolarHBondContact O-N 3.32Å; D325-R329 VanDerWaalsContact O-CG 3.27Å; D325-R329 WeakPolarHBondContact O-CG 3.28Å; D325-R329 PolarHBondContact O-N 3.27Å; D325-R329 VanDerWaalsContact O-N 3.11Å; D325-R329 IonicContact OD1-CZ 2.77Å; D325-R329 IonicContact OD1-NE 3.57Å; D325-R329 PolarHBondContact OD1-NE 3.06Å; D325-R329 IonicContact OD1-NH2 3.58Å; D325-R329 PolarHBondContact OD1-NH2 2.89Å; D325-R329 IonicContact OD2-CZ 2.66Å; D325-R329 IonicContact OD2-NE 3.09Å; D325-R329 PolarHBondContact OD2-NE 3.18Å; D325-R329 IonicContact OD2-NH2 3.76Å
326	A	97.8	Very high	96	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.2	-48.9	178.5	0	0	0	0	0	112	P309 V311 T321 T322 W323 R329 V330 I586 L588	P309-A326 HydrophobicContact CB-CB 3.8Å; V311-A326 HydrophobicContact CG2-CB 4.31Å; T321-A326 HydrophobicContact CG2-CB 3.95Å; T322-A326 PolarHBondContact O-N 2.82Å; T322-A326 VanDerWaalsContact O-N 3.13Å; W323-A326 PolarHBondContact O-N 2.78Å; A326-R329 PolarHBondContact O-N 3.19Å; A326-V330 WeakPolarHBondContact O-CG2 3.43Å; A326-V330 PolarHBondContact O-N 2.88Å; A326-V330 VanDerWaalsContact O-N 3.09Å; A326-I586 HydrophobicContact CB-CG2 4.45Å; A326-L588 HydrophobicContact CB-CD2 4.01Å
327	L	97.8	Very high	96	Very high	17 Å²	17	53.5 Å²	53.5	9%	0.089	29%	0.293	C	S	.	.	H	α-helix	trans	-69	-36.6	-178.3	-63.7	171.2	0	0	0	112.1	W323 R329 V330 A331 I626 A629 I630 L633	W323-L327 HydrophobicContact CB-CD1 4.32Å; W323-L327 HydrophobicContact CE3-CD1 3.97Å; W323-L327 HydrophobicContact CE3-CD2 4.02Å; W323-L327 HydrophobicContact CE3-CG 3.89Å; W323-L327 HydrophobicContact CZ3-CD2 4.17Å; W323-L327 VanDerWaalsContact O-CB 3.23Å; W323-L327 WeakPolarHBondContact O-CB 3.48Å; W323-L327 WeakPolarHBondContact O-CD1 3.36Å; W323-L327 WeakPolarHBondContact O-CG 3.5Å; W323-L327 PolarHBondContact O-N 3.3Å; L327-R329 VanDerWaalsContact C-N 3.33Å; L327-R329 PolarHBondContact O-N 3.23Å; L327-V330 PolarHBondContact O-N 2.81Å; L327-A331 VanDerWaalsContact O-CB 3.25Å; L327-A331 WeakPolarHBondContact O-CB 3.03Å; L327-A331 PolarHBondContact O-N 3.17Å; L327-I626 HydrophobicContact CD2-CG2 4.44Å; L327-A629 HydrophobicContact CD1-CB 4.21Å; L327-I630 HydrophobicContact CD2-CD1 4.23Å; L327-I630 HydrophobicContact CD2-CG1 3.49Å; L327-I630 VanDerWaalsContact CD2-CG1 3.49Å; L327-L633 HydrophobicContact CB-CD1 3.59Å; L327-L633 HydrophobicContact CD1-CD1 4.48Å
328	T	97.1	Very high	95.7	Very high	84 Å²	84	53.8 Å²	53.8	52%	0.515	29%	0.294	S	S	.	.	H	α-helix	trans	-64.3	-39.1	176.4	-58.4	0	0	0	0	111.4	E324 D325 A331 G332	E324-T328 WeakPolarHBondContact O-CB 3.37Å; E324-T328 PolarHBondContact O-N 2.85Å; E324-T328 PolarHBondContact O-OG1 2.71Å; D325-T328 PolarHBondContact O-N 3.32Å; T328-A331 PolarHBondContact O-N 3.47Å; T328-G332 PolarHBondContact O-N 3.01Å
329	R	96.9	Very high	95.5	Very high	124 Å²	124	52 Å²	52	47%	0.468	29%	0.288	S	S	.	.	H	α-helix	trans	-66.1	-43.7	175.7	-71.1	169.4	-172.8	-104.1	1.3	112.2	D325 A326 L327 A333 I586	D325-R329 VanDerWaalsContact O-CG 3.27Å; D325-R329 WeakPolarHBondContact O-CG 3.28Å; D325-R329 PolarHBondContact O-N 3.27Å; D325-R329 VanDerWaalsContact O-N 3.11Å; D325-R329 IonicContact OD1-CZ 2.77Å; D325-R329 IonicContact OD1-NE 3.57Å; D325-R329 PolarHBondContact OD1-NE 3.06Å; D325-R329 IonicContact OD1-NH2 3.58Å; D325-R329 PolarHBondContact OD1-NH2 2.89Å; D325-R329 IonicContact OD2-CZ 2.66Å; D325-R329 IonicContact OD2-NE 3.09Å; D325-R329 PolarHBondContact OD2-NE 3.18Å; D325-R329 IonicContact OD2-NH2 3.76Å; A326-R329 PolarHBondContact O-N 3.19Å; L327-R329 VanDerWaalsContact C-N 3.33Å; L327-R329 PolarHBondContact O-N 3.23Å; R329-A333 WeakPolarHBondContact O-CB 3.18Å; R329-A333 PolarHBondContact O-N 2.75Å; R329-I586 HydrophobicContact CB-CD1 3.82Å
330	V	97.4	Very high	95.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-48.8	175.2	170.3	0	0	0	0	110.5	A326 L327 G332 A333 L334 I571 I586 L588 I630	A326-V330 WeakPolarHBondContact O-CG2 3.43Å; A326-V330 PolarHBondContact O-N 2.88Å; A326-V330 VanDerWaalsContact O-N 3.09Å; L327-V330 PolarHBondContact O-N 2.81Å; V330-G332 PolarHBondContact O-N 2.84Å; V330-A333 PolarHBondContact O-N 3.08Å; V330-L334 HydrophobicContact CG1-CD1 3.85Å; V330-L334 HydrophobicContact CG1-CG 4.36Å; V330-L334 WeakPolarHBondContact O-CG 3.31Å; V330-L334 PolarHBondContact O-N 2.95Å; V330-I571 HydrophobicContact CB-CD1 4.27Å; V330-I571 HydrophobicContact CG1-CD1 3.65Å; V330-I571 HydrophobicContact CG2-CD1 3.95Å; V330-I571 HydrophobicContact CG2-CG1 4.06Å; V330-I571 HydrophobicContact CG2-CG2 4.06Å; V330-I586 HydrophobicContact CG2-CB 4.39Å; V330-I586 HydrophobicContact CG2-CD1 3.69Å; V330-I586 HydrophobicContact CG2-CG2 3.88Å; V330-L588 HydrophobicContact CG2-CD1 4.45Å; V330-I630 HydrophobicContact CG1-CD1 3.96Å; V330-I630 HydrophobicContact CG1-CG1 4.1Å; V330-I630 HydrophobicContact CG1-CG2 3.76Å
331	A	96.6	Very high	95	Very high	3 Å²	3	52.2 Å²	52.2	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-45.1	178.8	0	0	0	0	0	112.2	L327 T328 A333 L334 Q335 L633 A634	L327-A331 VanDerWaalsContact O-CB 3.25Å; L327-A331 WeakPolarHBondContact O-CB 3.03Å; L327-A331 PolarHBondContact O-N 3.17Å; T328-A331 PolarHBondContact O-N 3.47Å; A331-A333 VanDerWaalsContact C-N 3.32Å; A331-A333 PolarHBondContact O-N 3.38Å; A331-L334 PolarHBondContact O-N 3.23Å; A331-Q335 WeakPolarHBondContact O-CB 3.39Å; A331-Q335 VanDerWaalsContact O-CG 3.31Å; A331-Q335 WeakPolarHBondContact O-CG 3.43Å; A331-Q335 PolarHBondContact O-N 3.33Å; A331-L633 HydrophobicContact CB-CB 3.65Å; A331-A634 HydrophobicContact CB-CB 4.27Å
332	G	95.6	Very high	94.9	Very high	33 Å²	33	51 Å²	51	34%	0.34	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-38.5	176.4	0	0	0	0	0	113	T328 V330 S336	T328-G332 PolarHBondContact O-N 3.01Å; V330-G332 PolarHBondContact O-N 2.84Å; G332-S336 PolarHBondContact O-N 3.34Å
333	A	95.1	Very high	94.9	Very high	15 Å²	15	47.6 Å²	47.6	12%	0.124	26%	0.259	C	S	.	.	H	α-helix	trans	-66.5	-43.7	174.7	0	0	0	0	0	112.1	R329 V330 A331 S336 A337 V548 L569	R329-A333 WeakPolarHBondContact O-CB 3.18Å; R329-A333 PolarHBondContact O-N 2.75Å; V330-A333 PolarHBondContact O-N 3.08Å; A331-A333 VanDerWaalsContact C-N 3.32Å; A331-A333 PolarHBondContact O-N 3.38Å; A333-S336 PolarHBondContact O-N 3.09Å; A333-S336 VanDerWaalsContact O-N 3.17Å; A333-S336 PolarHBondContact O-OG 3.48Å; A333-A337 PolarHBondContact O-N 2.81Å; A333-V548 HydrophobicContact CB-CG2 4.28Å; A333-L569 HydrophobicContact CB-CD2 3.26Å
334	L	94.7	Very high	94.9	Very high	3 Å²	3	46 Å²	46	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-67	-34.4	177.6	-69.7	174	0	0	0	112.7	V330 A331 S336 A337 V342 L361 L365 V548 I630	V330-L334 HydrophobicContact CG1-CD1 3.85Å; V330-L334 HydrophobicContact CG1-CG 4.36Å; V330-L334 WeakPolarHBondContact O-CG 3.31Å; V330-L334 PolarHBondContact O-N 2.95Å; A331-L334 PolarHBondContact O-N 3.23Å; L334-S336 PolarHBondContact O-N 3.12Å; L334-A337 PolarHBondContact O-N 3.48Å; L334-V342 HydrophobicContact CD2-CG1 3.86Å; L334-V342 HydrophobicContact CD2-CG2 4.36Å; L334-L361 HydrophobicContact CD1-CD2 4.28Å; L334-L365 HydrophobicContact CB-CD1 4.11Å; L334-L365 HydrophobicContact CD2-CD1 3.95Å; L334-L365 HydrophobicContact CG-CD1 4.47Å; L334-V548 HydrophobicContact CD2-CG1 3.99Å; L334-I630 HydrophobicContact CD1-CG2 3.42Å; L334-I630 VanDerWaalsContact CD1-CG2 3.42Å
335	Q	93.9	Very high	95	Very high	113 Å²	113	40 Å²	40	53%	0.528	23%	0.225	S	C	.	.	H	α-helix	trans	-65.9	-27	173.4	-76.4	171.5	-9.6	0	0	112.8	A331 L633 A634	A331-Q335 WeakPolarHBondContact O-CB 3.39Å; A331-Q335 VanDerWaalsContact O-CG 3.31Å; A331-Q335 WeakPolarHBondContact O-CG 3.43Å; A331-Q335 PolarHBondContact O-N 3.33Å; Q335-L633 PolarHBondContact NE2-O 3.01Å; Q335-L633 VanDerWaalsContact NE2-O 3.14Å; Q335-A634 VanDerWaalsContact CG-O 3.32Å; Q335-A634 WeakPolarHBondContact CG-O 3.45Å; Q335-A634 VanDerWaalsContact NE2-C 3.26Å; Q335-A634 PolarHBondContact NE2-O 3.35Å
336	S	90.4	Very high	95.1	Very high	91 Å²	91	37.5 Å²	37.5	64%	0.636	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.7	-178.8	73.2	0	0	0	0	114.4	G332 A333 L334	G332-S336 PolarHBondContact O-N 3.34Å; A333-S336 PolarHBondContact O-N 3.09Å; A333-S336 VanDerWaalsContact O-N 3.17Å; A333-S336 PolarHBondContact O-OG 3.48Å; L334-S336 PolarHBondContact O-N 3.12Å
337	A	89.6	Confident	95.1	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.017	21%	0.212	C	C	.	.			trans	-128.8	137.2	-176.1	0	0	0	0	0	110.6	A333 L334 E341 V342 V548	A333-A337 PolarHBondContact O-N 2.81Å; L334-A337 PolarHBondContact O-N 3.48Å; A337-E341 HydrophobicContact CB-CB 3.98Å; A337-V342 HydrophobicContact CB-CG2 3.43Å; A337-V342 VanDerWaalsContact CB-CG2 3.43Å; A337-V548 HydrophobicContact CB-CG2 4.04Å
338	Q	87.7	Confident	95.1	Very high	141 Å²	141	37.6 Å²	37.6	66%	0.659	22%	0.217	S	C	*	.			trans	-135.5	154.7	177.5	-75	-164.9	-22.3	0	0	112	S340 E341	Q338-S340 PolarHBondContact O-N 3.27Å; Q338-E341 PolarHBondContact N-OE2 2.92Å; Q338-E341 WeakPolarHBondContact O-CB 3.45Å; Q338-E341 WeakPolarHBondContact O-CG 3.34Å; Q338-E341 PolarHBondContact O-N 3.34Å
339	G	91.9	Very high	95.1	Very high	15 Å²	15	34.4 Å²	34.4	16%	0.155	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	58	-127.3	176	0	0	0	0	0	112.7	E341 V342 L365 D366 S367	G339-E341 PolarHBondContact O-N 3.3Å; G339-V342 PolarHBondContact O-N 2.67Å; G339-L365 PolarHBondContact N-O 2.75Å; G339-D366 WeakPolarHBondContact CA-O 3.33Å; G339-S367 WeakPolarHBondContact O-CB 3.32Å; G339-S367 PolarHBondContact O-OG 2.74Å
340	S	89.8	Confident	95.1	Very high	79 Å²	79	28.9 Å²	28.9	55%	0.552	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-65.4	-8.1	-178.2	58.6	0	0	0	0	115	Q338 V342	Q338-S340 PolarHBondContact O-N 3.27Å; S340-V342 VanDerWaalsContact C-N 3.27Å; S340-V342 PolarHBondContact O-N 3.17Å
341	E	94.7	Very high	95.2	Very high	61 Å²	61	28.9 Å²	28.9	29%	0.285	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-77.1	-12.9	177.7	-60.2	-171.5	140.4	0	0	113.4	A337 Q338 G339 P546 K547 V548	A337-E341 HydrophobicContact CB-CB 3.98Å; Q338-E341 PolarHBondContact N-OE2 2.92Å; Q338-E341 WeakPolarHBondContact O-CB 3.45Å; Q338-E341 WeakPolarHBondContact O-CG 3.34Å; Q338-E341 PolarHBondContact O-N 3.34Å; G339-E341 PolarHBondContact O-N 3.3Å; E341-P546 VanDerWaalsContact O-CB 3.28Å; E341-P546 WeakPolarHBondContact O-CB 3.36Å; E341-K547 HydrophobicContact CB-CB 4.42Å; E341-K547 HydrophobicContact CB-CD 4.35Å; E341-K547 HydrophobicContact CB-CG 4.46Å; E341-K547 HydrophobicContact CG-CD 4.32Å; E341-K547 PolarHBondContact O-N 3.12Å; E341-K547 VanDerWaalsContact OE1-CE 3.24Å; E341-K547 WeakPolarHBondContact OE1-CE 3.34Å; E341-K547 IonicContact OE1-NZ 3.82Å; E341-K547 PolarHBondContact OE1-NZ 3.49Å; E341-K547 IonicContact OE2-NZ 3.92Å; E341-V548 PolarHBondContact O-N 2.84Å
342	V	96.4	Very high	95.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.3	175.7	-174.5	0	0	0	0	108.9	L334 A337 G339 S340 L362 S367 V548	L334-V342 HydrophobicContact CD2-CG1 3.86Å; L334-V342 HydrophobicContact CD2-CG2 4.36Å; A337-V342 HydrophobicContact CB-CG2 3.43Å; A337-V342 VanDerWaalsContact CB-CG2 3.43Å; G339-V342 PolarHBondContact O-N 2.67Å; S340-V342 VanDerWaalsContact C-N 3.27Å; S340-V342 PolarHBondContact O-N 3.17Å; V342-L362 HydrophobicContact CG1-CD1 4.36Å; V342-L362 HydrophobicContact CG1-CD2 4.34Å; V342-L362 HydrophobicContact CG1-CG 4.09Å; V342-S367 PolarHBondContact O-OG 3.18Å; V342-V548 WeakPolarHBondContact CA-O 3.22Å; V342-V548 HydrophobicContact CG2-CB 4.4Å
343	A	97.8	Very high	95.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.008	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	164.2	170.6	0	0	0	0	0	111.3	S369 I541 P546 V548 L549 F550	A343-S369 CarbonylContact C-O 3.22Å; A343-S369 VanDerWaalsContact CA-O 3.26Å; A343-S369 WeakPolarHBondContact CA-O 3.28Å; A343-S369 WeakPolarHBondContact CB-O 3.49Å; A343-I541 HydrophobicContact CB-CD1 3.87Å; A343-I541 HydrophobicContact CB-CG1 3.78Å; A343-P546 HydrophobicContact CB-CB 3.95Å; A343-P546 HydrophobicContact CB-CG 3.79Å; A343-V548 PolarHBondContact N-O 2.88Å; A343-L549 HydrophobicContact CB-CD1 4.3Å; A343-L549 WeakPolarHBondContact O-CA 3.37Å; A343-F550 PolarHBondContact O-N 3.48Å
344	A	98.3	Very high	95.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	147.5	176.9	0	0	0	0	0	112.2	L358 L362 S369 L370 C371 F550	A344-L358 HydrophobicContact CB-CD2 3.78Å; A344-L358 HydrophobicContact CB-CG 4.11Å; A344-L362 HydrophobicContact CB-CD1 4.49Å; A344-L362 HydrophobicContact CB-CD2 3.76Å; A344-S369 PolarHBondContact N-O 2.89Å; A344-L370 HydrophobicContact CB-CD2 4.09Å; A344-C371 PolarHBondContact O-N 2.88Å; A344-F550 CarbonylContact C-O 3.38Å; A344-F550 WeakPolarHBondContact CA-O 3.36Å; A344-F550 HydrophobicContact CB-CB 3.96Å
345	I	98.6	Very high	95.8	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.4	172.3	-58.5	170.5	0	0	0	108.1	C371 E373 V538 I541 L549 F550 L551 L552 A554 I559	I345-C371 CarbonylContact C-O 3.55Å; I345-C371 WeakPolarHBondContact CA-O 3.31Å; I345-C371 HydrophobicContact CG1-CB 4.36Å; I345-E373 HydrophobicContact CG2-CG 3.92Å; I345-V538 HydrophobicContact CD1-CG1 3.9Å; I345-V538 HydrophobicContact CG1-CG1 4.22Å; I345-V538 HydrophobicContact CG2-CG1 4.27Å; I345-I541 HydrophobicContact CD1-CD1 3.88Å; I345-I541 HydrophobicContact CG1-CD1 3.41Å; I345-I541 VanDerWaalsContact CG1-CD1 3.41Å; I345-L549 HydrophobicContact CD1-CD1 4.05Å; I345-L549 HydrophobicContact CD1-CD2 4.35Å; I345-L549 HydrophobicContact CG1-CD1 4.09Å; I345-F550 PolarHBondContact N-O 3.3Å; I345-L551 HydrophobicContact CB-CD2 3.86Å; I345-L551 HydrophobicContact CD1-CD2 3.85Å; I345-L551 HydrophobicContact CG1-CD2 4.2Å; I345-L552 PolarHBondContact O-N 3.31Å; I345-A554 HydrophobicContact CB-CB 4.29Å; I345-A554 HydrophobicContact CG2-CB 3.8Å; I345-I559 HydrophobicContact CD1-CB 4.02Å; I345-I559 HydrophobicContact CD1-CG1 3.68Å
346	A	98.4	Very high	96	Very high	1 Å²	1	21 Å²	21	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.8	172.9	0	0	0	0	0	110.8	L355 C371 E373 Y534	A346-L355 HydrophobicContact CB-CD2 3.45Å; A346-L355 VanDerWaalsContact CB-CD2 3.45Å; A346-C371 PolarHBondContact N-O 3.31Å; A346-E373 PolarHBondContact O-N 2.82Å; A346-Y534 HydrophobicContact CB-CD2 4.33Å; A346-Y534 HydrophobicContact CB-CE2 4.03Å
347	G	98	Very high	96.4	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.01	10%	0.098	C	C	.	.			trans	-79.9	168.3	175.2	0	0	0	0	0	113.6	M349 A350 E373 S525 L552	G347-M349 PolarHBondContact O-N 3.5Å; G347-A350 PolarHBondContact O-N 2.76Å; G347-E373 WeakPolarHBondContact CA-OE2 3.45Å; G347-S525 WeakPolarHBondContact O-CB 3.41Å; G347-S525 PolarHBondContact O-OG 3.42Å; G347-L552 WeakPolarHBondContact CA-O 3.09Å; G347-L552 PolarHBondContact N-O 3.38Å
348	G	97.3	Very high	96.9	Very high	17 Å²	17	16.5 Å²	16.5	18%	0.175	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-10.6	-170.5	0	0	0	0	0	118.1	E373 V523 A524 S525	G348-E373 PolarHBondContact N-OE2 3.43Å; G348-V523 WeakPolarHBondContact O-CG1 3.32Å; G348-A524 PolarHBondContact O-N 2.97Å; G348-S525 VanDerWaalsContact CA-OG 3.27Å; G348-S525 WeakPolarHBondContact CA-OG 3.5Å; G348-S525 WeakPolarHBondContact O-CB 3.39Å; G348-S525 PolarHBondContact O-N 2.74Å; G348-S525 PolarHBondContact O-OG 2.93Å
349	M	97.8	Very high	97.4	Very high	18 Å²	18	11.7 Å²	11.7	9%	0.089	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	10.4	-177	-65.8	-179.3	-69.8	0	0	113.8	V257 G347 Y600 D702 S703 I704	V257-M349 HydrophobicContact CG2-CG 4.15Å; V257-M349 HydrophobicContact CG2-SD 4.23Å; G347-M349 PolarHBondContact O-N 3.5Å; M349-Y600 WeakPolarHBondContact O-CE1 3.33Å; M349-Y600 PolarHBondContact O-OH 3.46Å; M349-D702 HydrophobicContact CE-CB 4.1Å; M349-D702 HydrophobicContact SD-CB 4.17Å; M349-S703 VanDerWaalsContact CE-OG 3.24Å; M349-S703 WeakPolarHBondContact CE-OG 3.48Å; M349-I704 HydrophobicContact CE-CD1 4.33Å; M349-I704 HydrophobicContact CE-CG1 4.03Å; M349-I704 HydrophobicContact SD-CD1 3.59Å; M349-I704 VanDerWaalsContact SD-CD1 3.59Å; M349-I704 HydrophobicContact SD-CG1 3.86Å
350	A	98.1	Very high	97.7	Very high	7 Å²	7	11.6 Å²	11.6	6%	0.058	7%	0.069	C	C	.	.			trans	-64.9	133.2	175.2	0	0	0	0	0	111.4	G347 L355 S525 L552	G347-A350 PolarHBondContact O-N 2.76Å; A350-L355 HydrophobicContact CB-CD2 3.89Å; A350-L355 HydrophobicContact CB-CG 4.12Å; A350-S525 WeakPolarHBondContact O-CB 3.3Å; A350-L552 HydrophobicContact CB-CD2 3.78Å; A350-L552 HydrophobicContact CB-CG 4.1Å
351	D	98.6	Very high	98.1	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	4%	0.043	C	C	.	.			trans	-81	154.2	173.9	53.3	-41.1	0	0	0	111.6	E353 A354 L355 K596 Y600	D351-E353 VanDerWaalsContact C-N 3.25Å; D351-E353 PolarHBondContact O-N 2.88Å; D351-A354 PolarHBondContact O-N 3.38Å; D351-A354 VanDerWaalsContact O-N 3.12Å; D351-A354 WeakPolarHBondContact OD1-CB 3.33Å; D351-L355 WeakPolarHBondContact O-CG 3.24Å; D351-L355 PolarHBondContact O-N 3Å; D351-K596 IonicContact OD1-NZ 2.74Å; D351-K596 PolarHBondContact OD1-NZ 2.95Å; D351-K596 IonicContact OD2-NZ 3.64Å; D351-Y600 HydrophobicContact CB-CE1 4.35Å; D351-Y600 HydrophobicContact CB-CE2 3.98Å
352	A	98.7	Very high	98.2	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-58.4	-36	-176.4	0	0	0	0	0	112.8	A354 L355 V356 A528 L532 T599 L650 L657	A352-A354 PolarHBondContact O-N 3.2Å; A352-L355 PolarHBondContact O-N 2.68Å; A352-V356 PolarHBondContact O-N 2.92Å; A352-A528 HydrophobicContact CB-CB 4.26Å; A352-L532 HydrophobicContact CB-CD1 4.48Å; A352-T599 HydrophobicContact CB-CG2 4.14Å; A352-T599 WeakPolarHBondContact CB-O 3.43Å; A352-T599 PolarHBondContact N-O 3.41Å; A352-L650 HydrophobicContact CB-CD1 4.11Å; A352-L650 HydrophobicContact CB-CD2 4.09Å; A352-L657 HydrophobicContact CB-CD1 4.36Å
353	E	98.8	Very high	98.2	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-62.7	-40.5	177.5	-70.6	88.5	164.3	0	0	112.6	D351 V356 S357 T599 W624 L643 V646 R647 L650	D351-E353 VanDerWaalsContact C-N 3.25Å; D351-E353 PolarHBondContact O-N 2.88Å; E353-V356 WeakPolarHBondContact O-CG1 3.03Å; E353-S357 VanDerWaalsContact O-CB 3.32Å; E353-S357 WeakPolarHBondContact O-CB 3.25Å; E353-S357 PolarHBondContact O-N 2.88Å; E353-S357 VanDerWaalsContact O-N 3.15Å; E353-S357 PolarHBondContact O-OG 2.84Å; E353-T599 WeakPolarHBondContact OE1-CB 3.44Å; E353-T599 PolarHBondContact OE1-N 2.77Å; E353-T599 PolarHBondContact OE1-OG1 2.95Å; E353-T599 WeakPolarHBondContact OE2-CB 3.18Å; E353-T599 PolarHBondContact OE2-N 3.32Å; E353-W624 HydrophobicContact CB-CB 4.28Å; E353-W624 HydrophobicContact CB-CG 4.41Å; E353-L643 HydrophobicContact CG-CD1 3.77Å; E353-V646 HydrophobicContact CB-CG1 3.75Å; E353-V646 HydrophobicContact CG-CG1 3.78Å; E353-R647 HydrophobicContact CG-CG 4.36Å; E353-R647 IonicContact OE1-CZ 3.63Å; E353-R647 IonicContact OE1-NE 2.83Å; E353-R647 PolarHBondContact OE1-NE 3.47Å; E353-R647 IonicContact OE1-NH2 2.75Å; E353-L650 HydrophobicContact CG-CD1 3.84Å
354	A	98.7	Very high	98.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-71.6	-39	175	0	0	0	0	0	111.4	D351 A352 S357 L358 L552 D623 I627	D351-A354 PolarHBondContact O-N 3.38Å; D351-A354 VanDerWaalsContact O-N 3.12Å; D351-A354 WeakPolarHBondContact OD1-CB 3.33Å; A352-A354 PolarHBondContact O-N 3.2Å; A354-S357 PolarHBondContact O-N 2.98Å; A354-L358 WeakPolarHBondContact O-CB 3.23Å; A354-L358 PolarHBondContact O-N 3.1Å; A354-L552 HydrophobicContact CB-CD1 4.48Å; A354-L552 HydrophobicContact CB-CD2 3.94Å; A354-D623 HydrophobicContact CB-CB 3.62Å; A354-I627 HydrophobicContact CB-CD1 4.14Å; A354-I627 WeakPolarHBondContact O-CD1 3.37Å
355	L	98.8	Very high	98	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.2	-52.9	175.1	-66.5	172.5	0	0	0	111.4	A346 A350 D351 A352 S357 L358 K359 A528 A529 L532 Y534 L552	A346-L355 HydrophobicContact CB-CD2 3.45Å; A346-L355 VanDerWaalsContact CB-CD2 3.45Å; A350-L355 HydrophobicContact CB-CD2 3.89Å; A350-L355 HydrophobicContact CB-CG 4.12Å; D351-L355 WeakPolarHBondContact O-CG 3.24Å; D351-L355 PolarHBondContact O-N 3Å; A352-L355 PolarHBondContact O-N 2.68Å; L355-S357 PolarHBondContact O-N 2.82Å; L355-L358 PolarHBondContact O-N 3.36Å; L355-K359 WeakPolarHBondContact O-CB 3.39Å; L355-K359 PolarHBondContact O-N 2.67Å; L355-A528 HydrophobicContact CD1-CB 4.25Å; L355-A529 HydrophobicContact CD1-CB 3.96Å; L355-L532 HydrophobicContact CB-CD1 3.49Å; L355-L532 VanDerWaalsContact CB-CD1 3.49Å; L355-L532 HydrophobicContact CD1-CD1 4.28Å; L355-Y534 WeakPolarHBondContact CA-OH 3.35Å; L355-Y534 HydrophobicContact CB-CE1 4.16Å; L355-Y534 HydrophobicContact CD2-CE1 4.43Å; L355-Y534 HydrophobicContact CD2-CE2 4.07Å; L355-Y534 PolarHBondContact O-OH 3.49Å; L355-L552 HydrophobicContact CD2-CD2 4.25Å
356	V	98.7	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63	-34.7	179.5	75.5	0	0	0	0	111.6	A352 E353 K359 D360 L532 V646 R649 L650 V653	A352-V356 PolarHBondContact O-N 2.92Å; E353-V356 WeakPolarHBondContact O-CG1 3.03Å; V356-K359 PolarHBondContact O-N 3.45Å; V356-D360 WeakPolarHBondContact O-CB 3.47Å; V356-D360 PolarHBondContact O-N 3.29Å; V356-L532 HydrophobicContact CB-CD1 4.29Å; V356-L532 HydrophobicContact CB-CD2 4.23Å; V356-L532 HydrophobicContact CG2-CD2 4.26Å; V356-V646 HydrophobicContact CG1-CG1 3.87Å; V356-R649 HydrophobicContact CG2-CG 4.1Å; V356-L650 HydrophobicContact CB-CD2 3.53Å; V356-L650 HydrophobicContact CB-CG 4.42Å; V356-L650 HydrophobicContact CG1-CD2 3.48Å; V356-L650 VanDerWaalsContact CG1-CD2 3.48Å; V356-L650 HydrophobicContact CG1-CG 3.9Å; V356-L650 HydrophobicContact CG2-CD2 4.12Å; V356-V653 HydrophobicContact CG2-CG2 4.1Å
357	S	98.7	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.1	-41.5	178.4	-60.9	0	0	0	0	113.2	E353 A354 L355 L361 I627 Y640	E353-S357 VanDerWaalsContact O-CB 3.32Å; E353-S357 WeakPolarHBondContact O-CB 3.25Å; E353-S357 PolarHBondContact O-N 2.88Å; E353-S357 VanDerWaalsContact O-N 3.15Å; E353-S357 PolarHBondContact O-OG 2.84Å; A354-S357 PolarHBondContact O-N 2.98Å; L355-S357 PolarHBondContact O-N 2.82Å; S357-L361 WeakPolarHBondContact O-CB 3.41Å; S357-L361 PolarHBondContact O-N 2.94Å; S357-I627 WeakPolarHBondContact O-CG2 3.42Å; S357-Y640 WeakPolarHBondContact CA-OH 3.19Å; S357-Y640 WeakPolarHBondContact CB-OH 3.43Å; S357-Y640 PolarHBondContact OG-OH 3.09Å
358	L	98.6	Very high	97.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-69.8	-38.3	176.8	-171.5	57.4	0	0	0	110.9	A344 A354 L355 L361 L362 L370 F550 L552 I627	A344-L358 HydrophobicContact CB-CD2 3.78Å; A344-L358 HydrophobicContact CB-CG 4.11Å; A354-L358 WeakPolarHBondContact O-CB 3.23Å; A354-L358 PolarHBondContact O-N 3.1Å; L355-L358 PolarHBondContact O-N 3.36Å; L358-L361 HydrophobicContact CD1-CD2 4.4Å; L358-L361 PolarHBondContact O-N 3.03Å; L358-L362 HydrophobicContact CD1-CD1 3.76Å; L358-L362 HydrophobicContact CG-CD1 4.27Å; L358-L362 WeakPolarHBondContact O-CD1 3.31Å; L358-L362 PolarHBondContact O-N 3.32Å; L358-L370 HydrophobicContact CG-CD2 4.37Å; L358-F550 HydrophobicContact CD1-CB 4.5Å; L358-F550 HydrophobicContact CD1-CD1 3.85Å; L358-F550 HydrophobicContact CD1-CD2 4.45Å; L358-F550 HydrophobicContact CD1-CE1 4.14Å; L358-F550 HydrophobicContact CD1-CG 4.02Å; L358-F550 HydrophobicContact CD2-CD1 3.86Å; L358-F550 HydrophobicContact CD2-CE1 4.35Å; L358-L552 HydrophobicContact CD2-CB 3.94Å; L358-L552 HydrophobicContact CD2-CD2 4.09Å; L358-I627 HydrophobicContact CB-CD1 4.02Å
359	K	98.6	Very high	97.5	Very high	39 Å²	39	27.3 Å²	27.3	17%	0.17	13%	0.132	C	C	.	.	H	α-helix	trans	-58.2	-52	172.3	173.3	171.9	-176.7	-176.5	0	111.4	L355 V356 L361 L362 N363 L370 L532 Y534	L355-K359 WeakPolarHBondContact O-CB 3.39Å; L355-K359 PolarHBondContact O-N 2.67Å; V356-K359 PolarHBondContact O-N 3.45Å; K359-L361 VanDerWaalsContact C-N 3.33Å; K359-L361 PolarHBondContact O-N 3.08Å; K359-L362 PolarHBondContact O-N 3.43Å; K359-N363 WeakPolarHBondContact CG-ND2 3.45Å; K359-N363 WeakPolarHBondContact O-CB 3.4Å; K359-N363 PolarHBondContact O-N 3.43Å; K359-N363 PolarHBondContact O-ND2 3.13Å; K359-N363 PolarHBondContact O-OD1 3.22Å; K359-L370 HydrophobicContact CB-CD1 3.92Å; K359-L370 HydrophobicContact CB-CD2 4.41Å; K359-L370 HydrophobicContact CG-CD1 3.78Å; K359-L532 WeakPolarHBondContact CD-O 3.34Å; K359-L532 PolarHBondContact NZ-O 3.45Å; K359-Y534 HydrophobicContact CB-CE1 3.92Å; K359-Y534 HydrophobicContact CD-CE1 4.38Å
360	D	98.4	Very high	97.4	Very high	13 Å²	13	26.9 Å²	26.9	7%	0.07	13%	0.13	C	C	.	.	H	α-helix	trans	-65.7	-36.1	-179.2	-74.2	-19.2	0	0	0	111.8	V356 N363 R364 L638 R649	V356-D360 WeakPolarHBondContact O-CB 3.47Å; V356-D360 PolarHBondContact O-N 3.29Å; D360-N363 PolarHBondContact O-N 3.13Å; D360-R364 VanDerWaalsContact O-CG 3.3Å; D360-R364 WeakPolarHBondContact O-CG 3.48Å; D360-R364 PolarHBondContact O-N 2.82Å; D360-L638 HydrophobicContact CB-CD2 3.7Å; D360-R649 IonicContact OD1-CZ 3.38Å; D360-R649 IonicContact OD1-NE 3.55Å; D360-R649 IonicContact OD1-NH2 3.63Å; D360-R649 PolarHBondContact OD1-NH2 2.82Å; D360-R649 WeakPolarHBondContact OD2-CG 3.32Å; D360-R649 IonicContact OD2-CZ 2.64Å; D360-R649 IonicContact OD2-NE 3.63Å; D360-R649 PolarHBondContact OD2-NE 3.39Å; D360-R649 IonicContact OD2-NH2 3.94Å
361	L	98.1	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.6	-50.2	173.2	174.8	60.1	0	0	0	111.6	L334 S357 L358 K359 R364 L365 I627 I630 V636 L638	L334-L361 HydrophobicContact CD1-CD2 4.28Å; S357-L361 WeakPolarHBondContact O-CB 3.41Å; S357-L361 PolarHBondContact O-N 2.94Å; L358-L361 HydrophobicContact CD1-CD2 4.4Å; L358-L361 PolarHBondContact O-N 3.03Å; K359-L361 VanDerWaalsContact C-N 3.33Å; K359-L361 PolarHBondContact O-N 3.08Å; L361-R364 PolarHBondContact O-N 3.03Å; L361-L365 PolarHBondContact O-N 3.27Å; L361-I627 HydrophobicContact CB-CG2 4.18Å; L361-I627 HydrophobicContact CD2-CG2 3.92Å; L361-I630 HydrophobicContact CD2-CG2 4.02Å; L361-V636 HydrophobicContact CD1-CG2 3.82Å; L361-L638 HydrophobicContact CB-CD1 4.36Å
362	L	97.4	Very high	97.4	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-67.8	-37.2	179.8	-94.1	70	0	0	0	111.9	V342 A344 L358 K359 R364 L365 D366 S367 L370	V342-L362 HydrophobicContact CG1-CD1 4.36Å; V342-L362 HydrophobicContact CG1-CD2 4.34Å; V342-L362 HydrophobicContact CG1-CG 4.09Å; A344-L362 HydrophobicContact CB-CD1 4.49Å; A344-L362 HydrophobicContact CB-CD2 3.76Å; L358-L362 HydrophobicContact CD1-CD1 3.76Å; L358-L362 HydrophobicContact CG-CD1 4.27Å; L358-L362 WeakPolarHBondContact O-CD1 3.31Å; L358-L362 PolarHBondContact O-N 3.32Å; K359-L362 PolarHBondContact O-N 3.43Å; L362-R364 VanDerWaalsContact C-N 3.27Å; L362-R364 PolarHBondContact O-N 3.28Å; L362-L365 CarbonylContact O-C 3.59Å; L362-L365 WeakPolarHBondContact O-CA 3.32Å; L362-L365 WeakPolarHBondContact O-CB 3.42Å; L362-L365 PolarHBondContact O-N 2.88Å; L362-D366 PolarHBondContact O-N 2.76Å; L362-S367 CarbonylContact C-O 3.51Å; L362-S367 PolarHBondContact O-N 2.96Å; L362-L370 HydrophobicContact CB-CD1 4.46Å; L362-L370 HydrophobicContact CB-CD2 4.29Å; L362-L370 HydrophobicContact CB-CG 4.4Å; L362-L370 HydrophobicContact CD2-CD2 3.79Å; L362-L370 HydrophobicContact CD2-CG 3.95Å; L362-L370 HydrophobicContact CG-CD2 4.48Å
363	N	97.1	Very high	97.3	Very high	65 Å²	65	27.8 Å²	27.8	35%	0.348	13%	0.133	S	C	.	.	H	α-helix	trans	-59.8	-37.4	174.4	-70.5	-21.9	0	0	0	111.9	K359 D360 L365 D366	K359-N363 WeakPolarHBondContact CG-ND2 3.45Å; K359-N363 WeakPolarHBondContact O-CB 3.4Å; K359-N363 PolarHBondContact O-N 3.43Å; K359-N363 PolarHBondContact O-ND2 3.13Å; K359-N363 PolarHBondContact O-OD1 3.22Å; D360-N363 PolarHBondContact O-N 3.13Å; N363-L365 PolarHBondContact O-N 2.62Å; N363-D366 PolarHBondContact O-N 3.1Å
364	R	96.5	Very high	97.2	Very high	128 Å²	128	28.1 Å²	28.1	48%	0.483	14%	0.135	S	C	.	.	H	α-helix	trans	-68.2	-19.9	174.8	-67.8	-67.4	-175.2	91.8	1.5	113.2	D360 L361 L362 D366 V636 T637 L638	D360-R364 VanDerWaalsContact O-CG 3.3Å; D360-R364 WeakPolarHBondContact O-CG 3.48Å; D360-R364 PolarHBondContact O-N 2.82Å; L361-R364 PolarHBondContact O-N 3.03Å; L362-R364 VanDerWaalsContact C-N 3.27Å; L362-R364 PolarHBondContact O-N 3.28Å; R364-D366 VanDerWaalsContact C-N 3.34Å; R364-V636 HydrophobicContact CB-CB 3.88Å; R364-V636 HydrophobicContact CB-CG1 4.21Å; R364-V636 HydrophobicContact CB-CG2 4.36Å; R364-V636 HydrophobicContact CG-CB 4.48Å; R364-T637 PolarHBondContact NH1-O 3.34Å; R364-T637 VanDerWaalsContact NH1-O 3.15Å; R364-L638 HydrophobicContact CG-CD2 4.31Å
365	L	95.3	Very high	97.1	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.063	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	11.1	172.5	-59.2	174.2	0	0	0	112.4	L334 G339 L361 L362 N363 S367 V636	L334-L365 HydrophobicContact CB-CD1 4.11Å; L334-L365 HydrophobicContact CD2-CD1 3.95Å; L334-L365 HydrophobicContact CG-CD1 4.47Å; G339-L365 PolarHBondContact N-O 2.75Å; L361-L365 PolarHBondContact O-N 3.27Å; L362-L365 CarbonylContact O-C 3.59Å; L362-L365 WeakPolarHBondContact O-CA 3.32Å; L362-L365 WeakPolarHBondContact O-CB 3.42Å; L362-L365 PolarHBondContact O-N 2.88Å; N363-L365 PolarHBondContact O-N 2.62Å; L365-S367 PolarHBondContact O-N 2.77Å; L365-V636 HydrophobicContact CD2-CG1 4.41Å; L365-V636 HydrophobicContact CD2-CG2 4.42Å
366	D	95.6	Very high	97	Very high	138 Å²	138	30.4 Å²	30.4	74%	0.738	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	25.2	-177.3	-158.5	40.3	0	0	0	113.7	G339 L362 N363 R364	G339-D366 WeakPolarHBondContact CA-O 3.33Å; L362-D366 PolarHBondContact O-N 2.76Å; N363-D366 PolarHBondContact O-N 3.1Å; R364-D366 VanDerWaalsContact C-N 3.34Å
367	S	95.4	Very high	96.8	Very high	1 Å²	1	31 Å²	31	1%	0.007	15%	0.152	C	C	.	.			trans	-102.7	125	177.6	-177.2	0	0	0	0	112	G339 V342 L362 L365 S369	G339-S367 WeakPolarHBondContact O-CB 3.32Å; G339-S367 PolarHBondContact O-OG 2.74Å; V342-S367 PolarHBondContact O-OG 3.18Å; L362-S367 CarbonylContact C-O 3.51Å; L362-S367 PolarHBondContact O-N 2.96Å; L365-S367 PolarHBondContact O-N 2.77Å; S367-S369 PolarHBondContact OG-N 3.16Å
368	E	94.3	Very high	96.5	Very high	135 Å²	135	34.9 Å²	34.9	63%	0.631	17%	0.171	S	C	*	.			trans	-103.1	14.8	169.1	-59.3	-173.6	163.8	0	0	112.5	L370 K535	E368-L370 PolarHBondContact O-N 3.23Å; E368-K535 WeakPolarHBondContact O-CE 3.17Å; E368-K535 PolarHBondContact O-NZ 3.44Å; E368-K535 IonicContact OE2-NZ 2.87Å
369	S	95.1	Very high	96	Very high	15 Å²	15	37.4 Å²	37.4	11%	0.105	19%	0.192	C	C	.	.			trans	-83.9	58.6	-177	-64.3	0	0	0	0	111.3	A343 A344 S367	A343-S369 CarbonylContact C-O 3.22Å; A343-S369 VanDerWaalsContact CA-O 3.26Å; A343-S369 WeakPolarHBondContact CA-O 3.28Å; A343-S369 WeakPolarHBondContact CB-O 3.49Å; A344-S369 PolarHBondContact N-O 2.89Å; S367-S369 PolarHBondContact OG-N 3.16Å
370	L	96.8	Very high	95.5	Very high	8 Å²	8	37 Å²	37	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	111.2	178.6	-69.9	148.6	0	0	0	109.2	A344 L358 K359 L362 E368 Y534 K535	A344-L370 HydrophobicContact CB-CD2 4.09Å; L358-L370 HydrophobicContact CG-CD2 4.37Å; K359-L370 HydrophobicContact CB-CD1 3.92Å; K359-L370 HydrophobicContact CB-CD2 4.41Å; K359-L370 HydrophobicContact CG-CD1 3.78Å; L362-L370 HydrophobicContact CB-CD1 4.46Å; L362-L370 HydrophobicContact CB-CD2 4.29Å; L362-L370 HydrophobicContact CB-CG 4.4Å; L362-L370 HydrophobicContact CD2-CD2 3.79Å; L362-L370 HydrophobicContact CD2-CG 3.95Å; L362-L370 HydrophobicContact CG-CD2 4.48Å; E368-L370 PolarHBondContact O-N 3.23Å; L370-Y534 HydrophobicContact CB-CD2 3.78Å; L370-Y534 HydrophobicContact CB-CE2 3.82Å; L370-Y534 HydrophobicContact CB-CG 4.2Å; L370-Y534 HydrophobicContact CD2-CE2 3.77Å; L370-Y534 HydrophobicContact CG-CE2 4.39Å; L370-K535 WeakPolarHBondContact O-CB 3.48Å; L370-K535 PolarHBondContact O-N 3.13Å
371	C	97.8	Very high	94.9	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	-114.8	157	-175.6	-73.7	0	0	0	0	112.5	A344 I345 A346 K535 G537 I541	A344-C371 PolarHBondContact O-N 2.88Å; I345-C371 CarbonylContact C-O 3.55Å; I345-C371 WeakPolarHBondContact CA-O 3.31Å; I345-C371 HydrophobicContact CG1-CB 4.36Å; A346-C371 PolarHBondContact N-O 3.31Å; C371-K535 CarbonylContact C-O 3.38Å; C371-K535 WeakPolarHBondContact CA-O 3.49Å; C371-G537 VanDerWaalsContact CB-O 3.3Å; C371-G537 WeakPolarHBondContact CB-O 3.48Å; C371-G537 PolarHBondContact SG-O 2.76Å; C371-I541 HydrophobicContact CB-CD1 3.78Å; C371-I541 HydrophobicContact CB-CG1 4.5Å
372	T	98.3	Very high	94.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	162.4	165.7	59.5	0	0	0	0	110.8	E374 Q526 A529 Y534 K535 A536 G537	T372-E374 PolarHBondContact OG1-O 2.86Å; T372-Q526 PolarHBondContact OG1-OE1 2.95Å; T372-A529 HydrophobicContact CG2-CB 3.57Å; T372-Y534 HydrophobicContact CG2-CD2 4.37Å; T372-K535 PolarHBondContact N-O 3.22Å; T372-A536 WeakPolarHBondContact OG1-CA 3.4Å; T372-G537 CarbonylContact O-C 3.47Å; T372-G537 VanDerWaalsContact O-CA 3.25Å; T372-G537 WeakPolarHBondContact O-CA 3.24Å; T372-G537 PolarHBondContact O-N 3.11Å; T372-G537 PolarHBondContact OG1-N 3.15Å
373	E	97.1	Very high	94.5	Very high	28 Å²	28	37.3 Å²	37.3	13%	0.131	20%	0.203	C	C	.	.	S	Bend	trans	-67.1	-42.9	172	-69.3	-174.4	134.2	0	0	112.8	I345 A346 G347 G348 A554 D555 A556 C558	I345-E373 HydrophobicContact CG2-CG 3.92Å; A346-E373 PolarHBondContact O-N 2.82Å; G347-E373 WeakPolarHBondContact CA-OE2 3.45Å; G348-E373 PolarHBondContact N-OE2 3.43Å; E373-A554 HydrophobicContact CG-CB 4.1Å; E373-A554 WeakPolarHBondContact OE1-CA 3.19Å; E373-A554 VanDerWaalsContact OE1-CB 3.32Å; E373-A554 WeakPolarHBondContact OE1-CB 3.46Å; E373-D555 PolarHBondContact OE1-N 3.39Å; E373-A556 HydrophobicContact CB-CB 4.12Å; E373-A556 HydrophobicContact CG-CB 4.14Å; E373-A556 VanDerWaalsContact OE1-CB 3.29Å; E373-A556 WeakPolarHBondContact OE1-CB 3.44Å; E373-A556 PolarHBondContact OE1-N 3.49Å; E373-C558 PolarHBondContact O-SG 3.19Å
374	E	96.3	Very high	94.3	Very high	7 Å²	7	40.9 Å²	40.9	3%	0.033	22%	0.222	C	C	.	.	S	Bend	trans	-84.7	127.5	-179.9	-167.7	169.8	-141.9	0	0	110.6	T372 S482 R522 V523 Q526 G537	T372-E374 PolarHBondContact OG1-O 2.86Å; E374-S482 WeakPolarHBondContact OE1-CB 3.43Å; E374-S482 PolarHBondContact OE1-OG 2.79Å; E374-R522 IonicContact OE1-CZ 3.81Å; E374-R522 IonicContact OE1-NE 3.7Å; E374-R522 PolarHBondContact OE1-NE 2.9Å; E374-R522 IonicContact OE1-NH2 3.86Å; E374-R522 PolarHBondContact OE1-NH2 2.74Å; E374-V523 HydrophobicContact CB-CG2 4.34Å; E374-V523 WeakPolarHBondContact OE2-CG2 3.32Å; E374-Q526 PolarHBondContact O-NE2 3.15Å; E374-Q526 VanDerWaalsContact O-NE2 3.17Å; E374-G537 PolarHBondContact O-N 3.05Å
375	V	96.8	Very high	94.3	Very high	42 Å²	42	36.3 Å²	36.3	26%	0.255	21%	0.207	S	C	.	.			trans	-73.8	140.9	178	-176	0	0	0	0	109.4	Q486	V375-Q486 PolarHBondContact O-NE2 2.9Å
376	F	96.9	Very high	94.4	Very high	5 Å²	5	37.9 Å²	37.9	2%	0.022	21%	0.212	C	C	.	.			trans	-133.8	137.7	165	-177.9	-94.4	0	0	0	108.4	M378 T383 L485 L494 L530 A536	F376-M378 PolarHBondContact O-N 3.42Å; F376-M378 VanDerWaalsContact O-N 3.12Å; F376-T383 HydrophobicContact CD1-CG2 4.29Å; F376-L485 HydrophobicContact CD2-CD1 3.88Å; F376-L485 HydrophobicContact CE2-CD1 3.74Å; F376-L494 HydrophobicContact CE1-CD2 4.31Å; F376-L494 HydrophobicContact CE2-CD2 4.24Å; F376-L494 HydrophobicContact CZ-CD2 3.69Å; F376-L530 HydrophobicContact CB-CD2 4.49Å; F376-A536 HydrophobicContact CB-CB 3.41Å; F376-A536 VanDerWaalsContact CB-CB 3.41Å
377	P	94.2	Very high	94.4	Very high	13 Å²	13	31.3 Å²	31.3	8%	0.084	18%	0.177	C	C	.	.			trans	-62	115.9	-178.5	-23.8	33.9	0	0	0	112.4	L485 G490 A491 L494	P377-L485 HydrophobicContact CG-CB 4.2Å; P377-L485 HydrophobicContact CG-CD2 4.34Å; P377-G490 VanDerWaalsContact CG-C 3.4Å; P377-G490 WeakPolarHBondContact CG-O 2.97Å; P377-A491 HydrophobicContact CB-CB 3.8Å; P377-L494 HydrophobicContact CB-CD2 4.39Å; P377-L494 HydrophobicContact CG-CD2 4.43Å
378	M	91.2	Very high	94.4	Very high	81 Å²	81	31.6 Å²	31.6	40%	0.399	18%	0.178	S	C	.	.			trans	-87.5	-8.4	179.5	-58.9	-57.5	-64.3	0	0	113.6	F376 T383 A536	F376-M378 PolarHBondContact O-N 3.42Å; F376-M378 VanDerWaalsContact O-N 3.12Å; M378-T383 HydrophobicContact CE-CG2 3.79Å; M378-T383 WeakPolarHBondContact CE-OG1 3.26Å; M378-T383 HydrophobicContact SD-CG2 3.71Å; M378-A536 HydrophobicContact SD-CB 4.12Å
379	A	88.6	Confident	94.5	Very high	53 Å²	53	25.3 Å²	25.3	44%	0.438	15%	0.149	S	C	.	.	S	Bend	trans	-73.3	140.6	178.9	0	0	0	0	0	111.5	A491 V679	A379-A491 HydrophobicContact CB-CB 4.09Å; A379-V679 HydrophobicContact CB-CG1 4.41Å; A379-V679 HydrophobicContact CB-CG2 4Å
380	G	88	Confident	94.6	Very high	31 Å²	31	24.7 Å²	24.7	32%	0.32	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	-124.6	-174.8	0	0	0	0	0	111.1	G382 L675	G380-G382 VanDerWaalsContact C-N 3.33Å; G380-L675 WeakPolarHBondContact CA-O 3.39Å
381	A	86.4	Confident	94.7	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.017	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-13.6	178.7	0	0	0	0	0	114	T383 D384 L385 A672 L675	A381-T383 PolarHBondContact O-N 3.17Å; A381-D384 WeakPolarHBondContact O-CB 3.29Å; A381-D384 PolarHBondContact O-N 2.85Å; A381-D384 VanDerWaalsContact O-N 3.08Å; A381-L385 HydrophobicContact CB-CD1 4.06Å; A381-L385 HydrophobicContact CB-CG 4.37Å; A381-A672 HydrophobicContact CB-CB 4.12Å; A381-L675 HydrophobicContact CB-CB 4.14Å; A381-L675 HydrophobicContact CB-CD1 3.76Å
382	G	91.7	Very high	94.7	Very high	4 Å²	4	25.3 Å²	25.3	4%	0.041	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	-125.5	179.7	0	0	0	0	0	112.8	G380	G380-G382 VanDerWaalsContact C-N 3.33Å
383	T	94.8	Very high	94.5	Very high	16 Å²	16	25.9 Å²	25.9	10%	0.098	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	0.9	179.7	55.4	0	0	0	0	113.8	F376 M378 A381 L385 Y389 L530	F376-T383 HydrophobicContact CD1-CG2 4.29Å; M378-T383 HydrophobicContact CE-CG2 3.79Å; M378-T383 WeakPolarHBondContact CE-OG1 3.26Å; M378-T383 HydrophobicContact SD-CG2 3.71Å; A381-T383 PolarHBondContact O-N 3.17Å; T383-L385 VanDerWaalsContact C-N 3.26Å; T383-L385 PolarHBondContact O-N 3.2Å; T383-Y389 WeakPolarHBondContact O-CE1 3.08Å; T383-L530 HydrophobicContact CG2-CB 4.14Å; T383-L530 HydrophobicContact CG2-CD2 3.52Å; T383-L530 HydrophobicContact CG2-CG 4.25Å
384	D	94.3	Very high	94.4	Very high	140 Å²	140	29.6 Å²	29.6	75%	0.749	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-33	-177.3	-63.8	-18.8	0	0	0	111.1	A381	A381-D384 WeakPolarHBondContact O-CB 3.29Å; A381-D384 PolarHBondContact O-N 2.85Å; A381-D384 VanDerWaalsContact O-N 3.08Å
385	L	95.8	Very high	94.5	Very high	32 Å²	32	29.2 Å²	29.2	17%	0.168	16%	0.162	C	C	.	.	S	Bend	trans	-109.8	111.3	178.2	-60.1	-179.1	0	0	0	110.4	A381 T383 S387 N388 Y668 Q671 A672	A381-L385 HydrophobicContact CB-CD1 4.06Å; A381-L385 HydrophobicContact CB-CG 4.37Å; T383-L385 VanDerWaalsContact C-N 3.26Å; T383-L385 PolarHBondContact O-N 3.2Å; L385-S387 PolarHBondContact O-N 3.03Å; L385-S387 VanDerWaalsContact O-N 3.07Å; L385-N388 PolarHBondContact O-N 2.91Å; L385-Y668 HydrophobicContact CD2-CD2 4.04Å; L385-Y668 HydrophobicContact CD2-CG 4.43Å; L385-Q671 HydrophobicContact CD1-CB 4.23Å; L385-A672 HydrophobicContact CD1-CB 3.62Å
386	R	96.4	Very high	94.5	Very high	44 Å²	44	29 Å²	29	17%	0.166	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-52.5	-32.5	177.4	-58.8	-172.3	69.6	-136.2	3.5	113.5	N388 Y389 L390 D531 G605 N656 A666	R386-N388 PolarHBondContact O-N 2.99Å; R386-Y389 HydrophobicContact CB-CE2 4.45Å; R386-Y389 WeakPolarHBondContact CG-OH 3.34Å; R386-Y389 PolarHBondContact O-N 2.97Å; R386-Y389 VanDerWaalsContact O-N 3.12Å; R386-L390 HydrophobicContact CB-CD1 4Å; R386-L390 WeakPolarHBondContact O-CG 3.46Å; R386-L390 PolarHBondContact O-N 3.01Å; R386-D531 IonicContact CZ-OD1 3.53Å; R386-D531 IonicContact CZ-OD2 2.78Å; R386-D531 IonicContact NE-OD1 2.73Å; R386-D531 PolarHBondContact NE-OD1 3.42Å; R386-D531 IonicContact NE-OD2 2.76Å; R386-D531 IonicContact NH2-OD1 3.31Å; R386-D531 IonicContact NH2-OD2 3.62Å; R386-D531 PolarHBondContact NH2-OD2 2.93Å; R386-D531 VanDerWaalsContact NH2-OD2 3.09Å; R386-G605 PolarHBondContact NH2-O 3.18Å; R386-N656 PolarHBondContact NE-ND2 3.39Å; R386-N656 PolarHBondContact NH2-ND2 2.84Å; R386-A666 HydrophobicContact CB-CB 4.11Å
387	S	95.3	Very high	94.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-57.7	-22.5	-179.8	60.3	0	0	0	0	113.8	L385 N392 N667	L385-S387 PolarHBondContact O-N 3.03Å; L385-S387 VanDerWaalsContact O-N 3.07Å; S387-N392 PolarHBondContact O-ND2 3.15Å; S387-N667 VanDerWaalsContact CB-O 3.29Å; S387-N667 WeakPolarHBondContact CB-O 3.21Å; S387-N667 PolarHBondContact OG-O 3.43Å; S387-N667 VanDerWaalsContact OG-O 3.14Å
388	N	95.4	Very high	94.4	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.037	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-81.8	-16.9	-178.2	-94.2	16.8	0	0	0	114.8	L385 R386 V519 A672	L385-N388 PolarHBondContact O-N 2.91Å; R386-N388 PolarHBondContact O-N 2.99Å; N388-V519 WeakPolarHBondContact O-CG2 3.34Å; N388-A672 WeakPolarHBondContact OD1-CB 3.42Å
389	Y	97	Very high	94.7	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.012	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	11	-175.6	58.5	-101.1	0	0	0	113.4	T383 R386 H521 V527 L530 D531	T383-Y389 WeakPolarHBondContact O-CE1 3.08Å; R386-Y389 HydrophobicContact CB-CE2 4.45Å; R386-Y389 WeakPolarHBondContact CG-OH 3.34Å; R386-Y389 PolarHBondContact O-N 2.97Å; R386-Y389 VanDerWaalsContact O-N 3.12Å; Y389-H521 PolarHBondContact O-CD2 3.35Å; Y389-H521 VanDerWaalsContact O-CD2 3.23Å; Y389-H521 PolarHBondContact O-NE2 2.88Å; Y389-V527 HydrophobicContact CE2-CG1 4.32Å; Y389-L530 HydrophobicContact CD1-CD1 4.31Å; Y389-L530 HydrophobicContact CD2-CB 4.18Å; Y389-L530 HydrophobicContact CD2-CD1 3.8Å; Y389-L530 HydrophobicContact CE1-CB 4.26Å; Y389-L530 HydrophobicContact CE2-CB 3.84Å; Y389-L530 HydrophobicContact CE2-CD1 4.32Å; Y389-L530 HydrophobicContact CG-CD1 3.76Å; Y389-D531 PolarHBondContact OH-OD1 3.34Å
390	L	98.3	Very high	94.9	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	16%	0.162	C	C	.	.	S	Bend	trans	-103	158.6	175	-65.4	-179.7	0	0	0	112.2	R386 N392 N518 V519 V527 A666	R386-L390 HydrophobicContact CB-CD1 4Å; R386-L390 WeakPolarHBondContact O-CG 3.46Å; R386-L390 PolarHBondContact O-N 3.01Å; L390-N392 PolarHBondContact O-N 3.02Å; L390-N392 VanDerWaalsContact O-N 3.07Å; L390-N392 PolarHBondContact O-ND2 2.77Å; L390-N392 VanDerWaalsContact O-ND2 3.12Å; L390-N518 WeakPolarHBondContact O-CA 3.12Å; L390-V519 CarbonylContact C-O 3.51Å; L390-V519 PolarHBondContact O-N 3Å; L390-V527 HydrophobicContact CD2-CG1 3.5Å; L390-V527 VanDerWaalsContact CD2-CG1 3.5Å; L390-A666 HydrophobicContact CD1-CB 4.11Å
391	L	98	Very high	95.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.			trans	-77.4	73	157.6	-177.1	66.4	0	0	0	107.9	S393 R394 I395 F418 V479 N518 V519 T603 E604	L391-S393 PolarHBondContact O-N 2.93Å; L391-R394 PolarHBondContact O-N 2.62Å; L391-I395 HydrophobicContact CD2-CG1 3.77Å; L391-F418 HydrophobicContact CD1-CE2 3.95Å; L391-F418 HydrophobicContact CD1-CZ 4.01Å; L391-F418 HydrophobicContact CD2-CD2 3.87Å; L391-F418 HydrophobicContact CD2-CE2 3.69Å; L391-F418 HydrophobicContact CD2-CZ 4.45Å; L391-F418 HydrophobicContact CG-CE2 4.44Å; L391-V479 HydrophobicContact CD1-CG2 4.44Å; L391-N518 WeakPolarHBondContact CA-OD1 3.5Å; L391-N518 HydrophobicContact CD1-CB 3.69Å; L391-V519 PolarHBondContact N-O 3.35Å; L391-T603 HydrophobicContact CB-CG2 4.12Å; L391-T603 WeakPolarHBondContact CB-O 3.11Å; L391-T603 HydrophobicContact CD2-CG2 3.83Å; L391-T603 PolarHBondContact N-O 2.89Å; L391-E604 HydrophobicContact CB-CB 4.24Å
392	N	96.9	Very high	95.7	Very high	21 Å²	21	31.9 Å²	31.9	11%	0.112	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.1	-174.7	-61	-70	0	0	0	115.2	S387 L390 R394 K515 L517 N518 A666 F669	S387-N392 PolarHBondContact O-ND2 3.15Å; L390-N392 PolarHBondContact O-N 3.02Å; L390-N392 VanDerWaalsContact O-N 3.07Å; L390-N392 PolarHBondContact O-ND2 2.77Å; L390-N392 VanDerWaalsContact O-ND2 3.12Å; N392-R394 PolarHBondContact O-N 3.04Å; N392-K515 HydrophobicContact CB-CB 3.64Å; N392-K515 HydrophobicContact CB-CG 4.03Å; N392-L517 PolarHBondContact ND2-O 3.08Å; N392-N518 WeakPolarHBondContact CA-OD1 3.45Å; N392-N518 PolarHBondContact N-OD1 2.83Å; N392-A666 WeakPolarHBondContact OD1-CB 3.48Å; N392-F669 HydrophobicContact CB-CE1 4.23Å; N392-F669 HydrophobicContact CB-CZ 3.86Å; N392-F669 WeakPolarHBondContact ND2-CE1 3.48Å
393	S	94.6	Very high	96	Very high	11 Å²	11	32 Å²	32	8%	0.077	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-5.8	176	62.1	0	0	0	0	112.8	L391 G397 N518	L391-S393 PolarHBondContact O-N 2.93Å; S393-G397 VanDerWaalsContact O-CA 3.23Å; S393-G397 WeakPolarHBondContact O-CA 3.45Å; S393-G397 PolarHBondContact O-N 3.38Å; S393-N518 PolarHBondContact N-OD1 2.86Å; S393-N518 PolarHBondContact OG-ND2 3.35Å; S393-N518 PolarHBondContact OG-OD1 3.37Å; S393-N518 VanDerWaalsContact OG-OD1 3.12Å
394	R	96.3	Very high	96.1	Very high	106 Å²	106	31.2 Å²	31.2	40%	0.4	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	165.7	-168.5	-52.8	176.6	177.5	177	-4.1	112.2	L391 N392 E604 V663	L391-R394 PolarHBondContact O-N 2.62Å; N392-R394 PolarHBondContact O-N 3.04Å; R394-E604 WeakPolarHBondContact CA-OE2 3.48Å; R394-E604 WeakPolarHBondContact CB-OE2 3.44Å; R394-V663 HydrophobicContact CG-CG1 4.22Å
395	I	97.3	Very high	96.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-42.2	173.5	-64.3	168.3	0	0	0	109.6	V261 I285 L391 G397 I398 F418 R421 E604	V261-I395 HydrophobicContact CG1-CD1 3.96Å; I285-I395 HydrophobicContact CB-CD1 4.42Å; I285-I395 HydrophobicContact CG1-CD1 4.4Å; I285-I395 HydrophobicContact CG2-CD1 4.06Å; L391-I395 HydrophobicContact CD2-CG1 3.77Å; I395-G397 PolarHBondContact O-N 2.87Å; I395-I398 WeakPolarHBondContact O-CG1 3.07Å; I395-I398 PolarHBondContact O-N 2.95Å; I395-F418 HydrophobicContact CG1-CD2 4.39Å; I395-F418 HydrophobicContact CG2-CD2 4.47Å; I395-R421 HydrophobicContact CG2-CB 4.24Å; I395-R421 HydrophobicContact CG2-CG 4.07Å; I395-R421 WeakPolarHBondContact O-CG 3.27Å; I395-E604 PolarHBondContact N-OE2 2.94Å
396	T	96.2	Very high	96.5	Very high	37 Å²	37	23 Å²	23	23%	0.227	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-68.9	-29.7	179.2	43.1	0	0	0	0	114.6	D284 I398 E399	D284-T396 VanDerWaalsContact CA-CG2 3.48Å; D284-T396 HydrophobicContact CB-CG2 4.23Å; T396-I398 PolarHBondContact O-N 3.46Å; T396-E399 WeakPolarHBondContact O-CB 3.43Å; T396-E399 PolarHBondContact O-N 3.18Å
397	G	94.5	Very high	96.6	Very high	7 Å²	7	20.9 Å²	20.9	7%	0.072	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-64.4	-14.2	179.3	0	0	0	0	0	113.4	S393 I395 E399 E400 C401 W514	S393-G397 VanDerWaalsContact O-CA 3.23Å; S393-G397 WeakPolarHBondContact O-CA 3.45Å; S393-G397 PolarHBondContact O-N 3.38Å; I395-G397 PolarHBondContact O-N 2.87Å; G397-E399 PolarHBondContact O-N 3.28Å; G397-E400 PolarHBondContact O-N 3.22Å; G397-E400 VanDerWaalsContact O-N 3.12Å; G397-C401 PolarHBondContact O-N 2.88Å; G397-W514 WeakPolarHBondContact O-CH2 3.43Å
398	I	96.1	Very high	96.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-62.6	-27.8	170.4	-57.4	-55.6	0	0	0	111.9	I395 T396 E400 C401 F418 R421 I422 S425 L431 V477	I395-I398 WeakPolarHBondContact O-CG1 3.07Å; I395-I398 PolarHBondContact O-N 2.95Å; T396-I398 PolarHBondContact O-N 3.46Å; I398-E400 PolarHBondContact O-N 3.31Å; I398-C401 VanDerWaalsContact O-CB 3.3Å; I398-C401 WeakPolarHBondContact O-CB 3.33Å; I398-C401 PolarHBondContact O-N 3.08Å; I398-F418 HydrophobicContact CD1-CE2 3.81Å; I398-F418 HydrophobicContact CD1-CZ 3.88Å; I398-F418 HydrophobicContact CG1-CD2 4.36Å; I398-F418 HydrophobicContact CG1-CE2 3.45Å; I398-F418 VanDerWaalsContact CG1-CE2 3.45Å; I398-F418 HydrophobicContact CG1-CZ 3.98Å; I398-R421 HydrophobicContact CB-CG 4.43Å; I398-I422 HydrophobicContact CG2-CB 4.46Å; I398-I422 HydrophobicContact CG2-CG1 3.93Å; I398-S425 PolarHBondContact O-OG 3.49Å; I398-L431 HydrophobicContact CG2-CD2 4.23Å; I398-V477 HydrophobicContact CD1-CG1 3.97Å
399	E	95.7	Very high	96.8	Very high	56 Å²	56	20.7 Å²	20.7	26%	0.262	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	-69	-24	176.3	-58.4	-169.4	-164.3	0	0	112.1	T396 G397 R421 K424 S425 N429	T396-E399 WeakPolarHBondContact O-CB 3.43Å; T396-E399 PolarHBondContact O-N 3.18Å; G397-E399 PolarHBondContact O-N 3.28Å; E399-R421 HydrophobicContact CG-CG 4.34Å; E399-R421 WeakPolarHBondContact OE1-CD 3.09Å; E399-R421 IonicContact OE1-CZ 2.82Å; E399-R421 IonicContact OE1-NE 3.03Å; E399-R421 IonicContact OE1-NH1 3.95Å; E399-R421 PolarHBondContact OE1-NH1 2.89Å; E399-K424 VanDerWaalsContact CD-NZ 3.31Å; E399-K424 IonicContact OE1-NZ 3.52Å; E399-K424 PolarHBondContact OE1-NZ 3.39Å; E399-K424 IonicContact OE2-NZ 3.46Å; E399-K424 PolarHBondContact OE2-NZ 2.93Å; E399-K424 VanDerWaalsContact OE2-NZ 3.17Å; E399-S425 WeakPolarHBondContact CA-OG 3.41Å; E399-N429 PolarHBondContact O-ND2 3.24Å
400	E	94.8	Very high	96.8	Very high	133 Å²	133	20.5 Å²	20.5	62%	0.621	10%	0.1	S	C	*	.	G	3₁₀ helix	trans	-94	-4.9	176.8	-64.1	176.6	-169.9	0	0	113	G397 I398 H475 W514	G397-E400 PolarHBondContact O-N 3.22Å; G397-E400 VanDerWaalsContact O-N 3.12Å; I398-E400 PolarHBondContact O-N 3.31Å; E400-H475 WeakPolarHBondContact O-CB 3.46Å; E400-W514 HydrophobicContact CB-CH2 3.85Å; E400-W514 HydrophobicContact CB-CZ3 4.06Å
401	C	94.7	Very high	96.8	Very high	5 Å²	5	20.4 Å²	20.4	3%	0.034	10%	0.1	C	C	.	.			trans	-74.8	139.6	-178.1	-178.2	0	0	0	0	111.8	G397 I398 V403 L431 H475 V477	G397-C401 PolarHBondContact O-N 2.88Å; I398-C401 VanDerWaalsContact O-CB 3.3Å; I398-C401 WeakPolarHBondContact O-CB 3.33Å; I398-C401 PolarHBondContact O-N 3.08Å; C401-V403 PolarHBondContact SG-O 3.28Å; C401-L431 HydrophobicContact CB-CD1 3.99Å; C401-L431 WeakPolarHBondContact O-CD1 3.41Å; C401-L431 VanDerWaalsContact SG-CD1 3.59Å; C401-H475 PolarHBondContact SG-O 3.14Å; C401-V477 HydrophobicContact CB-CG2 3.94Å; C401-V477 VanDerWaalsContact SG-CG2 3.53Å
402	D	95.1	Very high	96.8	Very high	44 Å²	44	20.9 Å²	20.9	24%	0.235	10%	0.102	C	C	.	.	S	Bend	trans	-103.6	-33	174	58.2	-3	0	0	0	113.3	R432 T474 H475	D402-R432 PolarHBondContact O-N 2.64Å; D402-R432 VanDerWaalsContact O-N 3.14Å; D402-T474 WeakPolarHBondContact OD2-CA 3.31Å; D402-T474 PolarHBondContact OD2-N 3.15Å; D402-T474 PolarHBondContact OD2-OG1 2.92Å; D402-H475 PolarHBondContact N-O 3.44Å; D402-H475 WeakPolarHBondContact OD1-CA 3.33Å; D402-H475 PolarHBondContact OD1-N 3.09Å; D402-H475 VanDerWaalsContact OD1-O 3.07Å; D402-H475 PolarHBondContact OD2-N 3Å
403	V	97.5	Very high	96.9	Very high	6 Å²	6	20.6 Å²	20.6	4%	0.036	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	119.7	176.3	-177.8	0	0	0	0	110.9	C401 R432 F466 V469 L470 A473 P476 V477	C401-V403 PolarHBondContact SG-O 3.28Å; V403-R432 WeakPolarHBondContact CA-O 3.22Å; V403-R432 HydrophobicContact CG2-CB 4.41Å; V403-F466 HydrophobicContact CG1-CE1 4.19Å; V403-F466 HydrophobicContact CG1-CZ 3.66Å; V403-V469 HydrophobicContact CG1-CG1 4.25Å; V403-V469 HydrophobicContact CG2-CG1 4.12Å; V403-L470 HydrophobicContact CG1-CD2 3.85Å; V403-A473 HydrophobicContact CB-CB 3.88Å; V403-A473 HydrophobicContact CG2-CB 3.61Å; V403-P476 WeakPolarHBondContact O-CA 3.35Å; V403-V477 PolarHBondContact O-N 3.06Å
404	L	98.3	Very high	97.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.2	178.3	176.4	63	0	0	0	111.1	L406 I422 L431 R432 V433 A434 V477 V479	L404-L406 HydrophobicContact CD1-CD2 4.17Å; L404-L406 HydrophobicContact CD2-CD2 4.06Å; L404-L406 HydrophobicContact CD2-CG 4.36Å; L404-L406 HydrophobicContact CG-CD2 4.09Å; L404-L406 HydrophobicContact CG-CG 4.28Å; L404-I422 HydrophobicContact CD2-CB 4.4Å; L404-I422 HydrophobicContact CD2-CD1 3.78Å; L404-I422 HydrophobicContact CD2-CG1 3.73Å; L404-I422 HydrophobicContact CD2-CG2 3.76Å; L404-L431 HydrophobicContact CB-CD1 4.01Å; L404-L431 HydrophobicContact CB-CD2 4.28Å; L404-L431 HydrophobicContact CB-CG 4.41Å; L404-L431 HydrophobicContact CD2-CD2 4.23Å; L404-R432 PolarHBondContact N-O 3.01Å; L404-V433 HydrophobicContact CB-CG2 4.45Å; L404-V433 HydrophobicContact CD2-CG1 4.27Å; L404-V433 HydrophobicContact CD2-CG2 4.39Å; L404-V433 HydrophobicContact CG-CG1 4.44Å; L404-V433 CarbonylContact O-C 3.44Å; L404-V433 WeakPolarHBondContact O-CA 3.29Å; L404-A434 PolarHBondContact O-N 2.94Å; L404-V477 WeakPolarHBondContact CA-O 3.5Å; L404-V477 HydrophobicContact CD1-CB 3.94Å; L404-V477 HydrophobicContact CD1-CG1 3.64Å; L404-V479 HydrophobicContact CD1-CG2 3.78Å
405	L	98.6	Very high	97.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	117.5	169.8	177.6	63.3	0	0	0	110.3	V407 A434 V436 L449 L459 F466 L470 V477 V478 V479 I500	L405-V407 HydrophobicContact CD2-CG2 4.28Å; L405-V407 HydrophobicContact CG-CG2 4.07Å; L405-A434 HydrophobicContact CD1-CB 4.13Å; L405-V436 HydrophobicContact CD1-CG2 3.94Å; L405-L449 HydrophobicContact CD1-CD1 3.84Å; L405-L459 HydrophobicContact CD2-CD1 4.13Å; L405-F466 HydrophobicContact CB-CE1 4.39Å; L405-F466 HydrophobicContact CD1-CE1 4.23Å; L405-L470 HydrophobicContact CD2-CD1 4.13Å; L405-V477 PolarHBondContact N-O 2.82Å; L405-V478 HydrophobicContact CB-CG1 4.36Å; L405-V478 HydrophobicContact CB-CG2 4.3Å; L405-V478 HydrophobicContact CD2-CG1 4.04Å; L405-V478 HydrophobicContact CD2-CG2 4.45Å; L405-V478 HydrophobicContact CG-CG1 4.34Å; L405-V478 WeakPolarHBondContact O-CA 3.49Å; L405-V479 PolarHBondContact O-N 2.89Å; L405-I500 HydrophobicContact CD2-CG2 4.17Å
406	L	98.7	Very high	97.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.8	172.1	-60.6	177.1	0	0	0	110.2	L404 T409 P411 I422 V433 A434 L435 V436 L442 V479	L404-L406 HydrophobicContact CD1-CD2 4.17Å; L404-L406 HydrophobicContact CD2-CD2 4.06Å; L404-L406 HydrophobicContact CD2-CG 4.36Å; L404-L406 HydrophobicContact CG-CD2 4.09Å; L404-L406 HydrophobicContact CG-CG 4.28Å; L406-T409 HydrophobicContact CB-CG2 4.12Å; L406-T409 HydrophobicContact CD2-CG2 4.32Å; L406-P411 HydrophobicContact CD1-CG 3.95Å; L406-I422 HydrophobicContact CD2-CD1 4.38Å; L406-V433 HydrophobicContact CD1-CG1 4.05Å; L406-V433 HydrophobicContact CG-CG1 4.35Å; L406-A434 PolarHBondContact N-O 2.91Å; L406-L435 HydrophobicContact CB-CD1 3.68Å; L406-L435 WeakPolarHBondContact O-CA 3.41Å; L406-V436 PolarHBondContact O-N 3.3Å; L406-L442 HydrophobicContact CD1-CD1 3.94Å; L406-V479 CarbonylContact C-O 3.59Å; L406-V479 HydrophobicContact CD2-CB 3.99Å; L406-V479 HydrophobicContact CD2-CG1 4.48Å; L406-V479 HydrophobicContact CD2-CG2 4.4Å
407	V	98.5	Very high	97.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	111.5	-178.7	-178.4	0	0	0	0	110.7	L405 T409 L456 V479 V480 G481 V497 L688	L405-V407 HydrophobicContact CD2-CG2 4.28Å; L405-V407 HydrophobicContact CG-CG2 4.07Å; V407-T409 PolarHBondContact O-N 3.01Å; V407-L456 HydrophobicContact CG1-CD1 3.93Å; V407-L456 HydrophobicContact CG1-CD2 3.75Å; V407-L456 HydrophobicContact CG1-CG 4.44Å; V407-L456 HydrophobicContact CG2-CD2 4.04Å; V407-V479 PolarHBondContact N-O 2.84Å; V407-V480 HydrophobicContact CB-CB 4.28Å; V407-V480 HydrophobicContact CB-CG2 4.32Å; V407-V480 HydrophobicContact CG1-CG2 4.27Å; V407-G481 PolarHBondContact O-N 3.48Å; V407-G481 VanDerWaalsContact O-N 3.1Å; V407-V497 HydrophobicContact CB-CG2 4.38Å; V407-V497 HydrophobicContact CG1-CG2 4.05Å; V407-V497 HydrophobicContact CG2-CG2 4.23Å; V407-L688 HydrophobicContact CG1-CD1 4.1Å
408	G	97	Very high	97.5	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.01	6%	0.064	C	C	.	.	S	Bend	trans	61.8	23	170.2	0	0	0	0	0	115.6	V436	G408-V436 PolarHBondContact N-O 3.23Å
409	T	98.1	Very high	97.6	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.012	6%	0.064	C	C	.	.			trans	-119.7	150	-177.7	177.4	0	0	0	0	111.3	L406 V407 E414	L406-T409 HydrophobicContact CB-CG2 4.12Å; L406-T409 HydrophobicContact CD2-CG2 4.32Å; V407-T409 PolarHBondContact O-N 3.01Å; T409-E414 PolarHBondContact OG1-OE2 3.27Å
410	N	98.3	Very high	97.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.			trans	-112.5	86.2	161.7	-173	-4.6	0	0	0	108.7	R412 Y413 E414 V440 L442 P690 Q692	N410-R412 PolarHBondContact O-N 3.04Å; N410-R412 VanDerWaalsContact O-N 3.09Å; N410-R412 WeakPolarHBondContact OD1-CB 3.37Å; N410-R412 PolarHBondContact OD1-N 3.27Å; N410-Y413 WeakPolarHBondContact ND2-CD2 3.44Å; N410-Y413 WeakPolarHBondContact ND2-CE2 3.18Å; N410-Y413 PolarHBondContact O-N 3.4Å; N410-Y413 VanDerWaalsContact O-N 3.16Å; N410-E414 PolarHBondContact O-N 3.12Å; N410-E414 VanDerWaalsContact O-N 3.08Å; N410-V440 HydrophobicContact CB-CG1 4.47Å; N410-V440 HydrophobicContact CB-CG2 4.32Å; N410-L442 WeakPolarHBondContact OD1-CD2 3.49Å; N410-P690 HydrophobicContact CB-CB 3.99Å; N410-P690 HydrophobicContact CB-CG 3.87Å; N410-Q692 WeakPolarHBondContact CB-O 3.41Å; N410-Q692 PolarHBondContact ND2-O 3.2Å
411	P	98.3	Very high	97.9	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-62.6	-23.2	-173.8	25.7	-35.4	0	0	0	112	L406 Y413 A415 F418 N419 I422 L442 L520	L406-P411 HydrophobicContact CD1-CG 3.95Å; P411-Y413 VanDerWaalsContact C-N 3.28Å; P411-Y413 PolarHBondContact O-N 3.33Å; P411-A415 CarbonylContact O-C 3.57Å; P411-A415 WeakPolarHBondContact O-CA 3.35Å; P411-A415 PolarHBondContact O-N 2.94Å; P411-F418 HydrophobicContact CB-CD1 4.07Å; P411-N419 HydrophobicContact CB-CB 4.25Å; P411-I422 HydrophobicContact CB-CD1 4.45Å; P411-I422 HydrophobicContact CG-CD1 4.32Å; P411-L442 HydrophobicContact CG-CD2 4.04Å; P411-L520 HydrophobicContact CB-CD2 3.96Å
412	R	98.3	Very high	98.1	Very high	9 Å²	9	4.9 Å²	4.9	3%	0.034	3%	0.026	C	C	.	.	H	α-helix	trans	-56.7	-40.4	177	-173.4	-179.7	177.7	178.3	1.9	112.6	E221 N410 P416 N419 D441 L442	E221-R412 HydrophobicContact CG-CG 4.12Å; E221-R412 WeakPolarHBondContact OE1-CG 3.47Å; E221-R412 IonicContact OE1-NE 3.34Å; E221-R412 IonicContact OE2-CZ 3.59Å; E221-R412 IonicContact OE2-NE 4Å; E221-R412 PolarHBondContact OE2-NE 2.82Å; E221-R412 IonicContact OE2-NH2 2.82Å; E221-R412 PolarHBondContact OE2-NH2 3.44Å; N410-R412 PolarHBondContact O-N 3.04Å; N410-R412 VanDerWaalsContact O-N 3.09Å; N410-R412 WeakPolarHBondContact OD1-CB 3.37Å; N410-R412 PolarHBondContact OD1-N 3.27Å; R412-P416 WeakPolarHBondContact O-CA 3.3Å; R412-P416 WeakPolarHBondContact O-CB 3.46Å; R412-P416 WeakPolarHBondContact O-CG 3.27Å; R412-N419 HydrophobicContact CB-CB 4.48Å; R412-D441 WeakPolarHBondContact CD-O 3.17Å; R412-D441 IonicContact CZ-OD2 3.5Å; R412-D441 PolarHBondContact NH1-O 2.9Å; R412-D441 IonicContact NH1-OD1 2.94Å; R412-D441 IonicContact NH1-OD2 3.31Å; R412-D441 PolarHBondContact NH1-OD2 3.47Å; R412-L442 HydrophobicContact CB-CD2 4.35Å
413	Y	98.3	Very high	98.3	Very high	15 Å²	15	3.5 Å²	3.5	6%	0.059	2%	0.017	C	C	.	.	H	α-helix	trans	-104.1	-31.5	-177.9	-58.5	-45.4	0	0	0	113	E221 N410 P411 Q692 I693 T694 A695 F698	E221-Y413 HydrophobicContact CB-CD1 4.34Å; E221-Y413 HydrophobicContact CB-CE1 4.41Å; N410-Y413 WeakPolarHBondContact ND2-CD2 3.44Å; N410-Y413 WeakPolarHBondContact ND2-CE2 3.18Å; N410-Y413 PolarHBondContact O-N 3.4Å; N410-Y413 VanDerWaalsContact O-N 3.16Å; P411-Y413 VanDerWaalsContact C-N 3.28Å; P411-Y413 PolarHBondContact O-N 3.33Å; Y413-Q692 HydrophobicContact CD2-CB 4.18Å; Y413-Q692 HydrophobicContact CG-CB 4.43Å; Y413-Q692 PolarHBondContact O-OE1 2.75Å; Y413-I693 WeakPolarHBondContact CE2-O 3.41Å; Y413-T694 VanDerWaalsContact CE2-C 3.41Å; Y413-A695 HydrophobicContact CE1-CB 4.18Å; Y413-A695 PolarHBondContact OH-N 2.79Å; Y413-F698 HydrophobicContact CD1-CB 3.69Å; Y413-F698 HydrophobicContact CD1-CD2 4.1Å; Y413-F698 AromaticContact CD1-CG 3.94Å; Y413-F698 HydrophobicContact CD1-CG 3.94Å; Y413-F698 HydrophobicContact CE1-CB 4.36Å; Y413-F698 HydrophobicContact CG-CB 4Å; Y413-F698 HydrophobicContact CG-CD2 4.45Å; Y413-F698 VanDerWaalsContact O-CD2 3.31Å; Y413-F698 WeakPolarHBondContact O-CD2 3.35Å
414	E	98.1	Very high	98.3	Very high	3 Å²	3	5.1 Å²	5.1	1%	0.014	2%	0.024	C	C	.	.	H	α-helix	trans	-74.1	-35.8	179.7	-67.7	177.4	167.5	0	0	112.2	T409 N410 S483 R522	T409-E414 PolarHBondContact OG1-OE2 3.27Å; N410-E414 PolarHBondContact O-N 3.12Å; N410-E414 VanDerWaalsContact O-N 3.08Å; E414-S483 WeakPolarHBondContact OE1-CB 3.45Å; E414-S483 PolarHBondContact OE1-OG 3.39Å; E414-R522 HydrophobicContact CB-CB 4.16Å
415	A	98.4	Very high	98.3	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.024	C	C	.	.	S	Bend	trans	-149.8	72.9	-179.8	0	0	0	0	0	111.1	V261 P411 L417 F418 N419 L520	V261-A415 HydrophobicContact CG2-CB 3.59Å; P411-A415 CarbonylContact O-C 3.57Å; P411-A415 WeakPolarHBondContact O-CA 3.35Å; P411-A415 PolarHBondContact O-N 2.94Å; A415-L417 VanDerWaalsContact C-N 3.28Å; A415-L417 PolarHBondContact O-N 3.07Å; A415-L417 VanDerWaalsContact O-N 3.09Å; A415-F418 HydrophobicContact CB-CB 3.86Å; A415-F418 WeakPolarHBondContact O-CA 3.26Å; A415-F418 WeakPolarHBondContact O-CB 3.24Å; A415-F418 PolarHBondContact O-N 3.42Å; A415-N419 PolarHBondContact O-N 2.74Å; A415-N419 VanDerWaalsContact O-N 3.11Å; A415-L520 HydrophobicContact CB-CD1 3.76Å; A415-L520 HydrophobicContact CB-CD2 4.08Å; A415-L520 HydrophobicContact CB-CG 4.23Å
416	P	98.6	Very high	98.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-53.9	-37.5	-168.3	-27.5	33.9	0	0	0	115.1	E221 L222 R412 N419 A420 F698	E221-P416 HydrophobicContact CG-CB 3.86Å; E221-P416 HydrophobicContact CG-CG 4.32Å; L222-P416 HydrophobicContact CD2-CB 3.82Å; R412-P416 WeakPolarHBondContact O-CA 3.3Å; R412-P416 WeakPolarHBondContact O-CB 3.46Å; R412-P416 WeakPolarHBondContact O-CG 3.27Å; P416-N419 WeakPolarHBondContact O-CB 3.48Å; P416-N419 PolarHBondContact O-N 2.71Å; P416-A420 PolarHBondContact O-N 3.3Å; P416-F698 HydrophobicContact CG-CE2 3.57Å; P416-F698 HydrophobicContact CG-CZ 3.98Å
417	L	98.4	Very high	98.2	Very high	3 Å²	3	12.2 Å²	12.2	2%	0.016	6%	0.056	C	C	.	.	H	α-helix	trans	-76.6	-26.4	179.2	-67.5	-43.8	0	0	0	113.2	L222 V261 C263 N286 W289 A415 N419 A420 R421	L222-L417 HydrophobicContact CD1-CD1 4.29Å; L222-L417 HydrophobicContact CD2-CD1 3.78Å; L222-L417 HydrophobicContact CD2-CD2 4.47Å; V261-L417 HydrophobicContact CG1-CB 4.26Å; C263-L417 WeakPolarHBondContact SG-CD2 3.37Å; N286-L417 HydrophobicContact CB-CG 4.22Å; W289-L417 HydrophobicContact CB-CD1 3.6Å; A415-L417 VanDerWaalsContact C-N 3.28Å; A415-L417 PolarHBondContact O-N 3.07Å; A415-L417 VanDerWaalsContact O-N 3.09Å; L417-N419 VanDerWaalsContact C-N 3.34Å; L417-A420 PolarHBondContact O-N 2.66Å; L417-R421 PolarHBondContact O-N 2.88Å
418	F	98.6	Very high	98	Very high	1 Å²	1	18 Å²	18	0%	0.004	8%	0.082	C	C	.	.	H	α-helix	trans	-65.6	-41.7	167.4	-179.3	-111.2	0	0	0	110.1	L391 I395 I398 P411 A415 A420 R421 I422 V479 L520	L391-F418 HydrophobicContact CD1-CE2 3.95Å; L391-F418 HydrophobicContact CD1-CZ 4.01Å; L391-F418 HydrophobicContact CD2-CD2 3.87Å; L391-F418 HydrophobicContact CD2-CE2 3.69Å; L391-F418 HydrophobicContact CD2-CZ 4.45Å; L391-F418 HydrophobicContact CG-CE2 4.44Å; I395-F418 HydrophobicContact CG1-CD2 4.39Å; I395-F418 HydrophobicContact CG2-CD2 4.47Å; I398-F418 HydrophobicContact CD1-CE2 3.81Å; I398-F418 HydrophobicContact CD1-CZ 3.88Å; I398-F418 HydrophobicContact CG1-CD2 4.36Å; I398-F418 HydrophobicContact CG1-CE2 3.45Å; I398-F418 VanDerWaalsContact CG1-CE2 3.45Å; I398-F418 HydrophobicContact CG1-CZ 3.98Å; P411-F418 HydrophobicContact CB-CD1 4.07Å; A415-F418 HydrophobicContact CB-CB 3.86Å; A415-F418 WeakPolarHBondContact O-CA 3.26Å; A415-F418 WeakPolarHBondContact O-CB 3.24Å; A415-F418 PolarHBondContact O-N 3.42Å; F418-A420 PolarHBondContact O-N 3.17Å; F418-R421 WeakPolarHBondContact O-CB 3.25Å; F418-R421 PolarHBondContact O-N 3.18Å; F418-R421 VanDerWaalsContact O-N 3.15Å; F418-I422 HydrophobicContact CD1-CD1 3.85Å; F418-I422 HydrophobicContact CE1-CD1 3.57Å; F418-I422 HydrophobicContact CE1-CG1 4.31Å; F418-I422 HydrophobicContact CZ-CD1 4.13Å; F418-I422 HydrophobicContact CZ-CG1 4.43Å; F418-I422 WeakPolarHBondContact O-CG1 3.43Å; F418-I422 PolarHBondContact O-N 3.49Å; F418-V479 HydrophobicContact CE1-CG1 4.4Å; F418-V479 HydrophobicContact CE1-CG2 4.48Å; F418-V479 HydrophobicContact CZ-CG2 4.09Å; F418-L520 HydrophobicContact CB-CD1 4.48Å; F418-L520 HydrophobicContact CD1-CD1 3.91Å; F418-L520 HydrophobicContact CD1-CD2 3.82Å; F418-L520 HydrophobicContact CE1-CD1 4.34Å; F418-L520 HydrophobicContact CE1-CD2 4.12Å; F418-L520 HydrophobicContact CG-CD1 4.17Å
419	N	98.6	Very high	98	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.011	10%	0.103	C	C	.	.	H	α-helix	trans	-62.9	-39.7	173.4	-165.7	58.5	0	0	0	113	P411 R412 A415 P416 L417 R421 I422 R423 L442 Y444	P411-N419 HydrophobicContact CB-CB 4.25Å; R412-N419 HydrophobicContact CB-CB 4.48Å; A415-N419 PolarHBondContact O-N 2.74Å; A415-N419 VanDerWaalsContact O-N 3.11Å; P416-N419 WeakPolarHBondContact O-CB 3.48Å; P416-N419 PolarHBondContact O-N 2.71Å; L417-N419 VanDerWaalsContact C-N 3.34Å; N419-R421 PolarHBondContact O-N 2.82Å; N419-I422 PolarHBondContact O-N 2.81Å; N419-R423 PolarHBondContact O-N 3.36Å; N419-L442 PolarHBondContact ND2-O 3.18Å; N419-Y444 WeakPolarHBondContact OD1-CE1 3.37Å; N419-Y444 PolarHBondContact OD1-OH 3.39Å
420	A	98.4	Very high	97.8	Very high	11 Å²	11	30 Å²	30	9%	0.091	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-38.2	173.6	0	0	0	0	0	111.6	L222 P416 L417 F418 R423 K424	L222-A420 HydrophobicContact CD1-CB 3.81Å; P416-A420 PolarHBondContact O-N 3.3Å; L417-A420 PolarHBondContact O-N 2.66Å; F418-A420 PolarHBondContact O-N 3.17Å; A420-R423 PolarHBondContact O-N 2.63Å; A420-K424 WeakPolarHBondContact O-CB 3.49Å; A420-K424 PolarHBondContact O-N 3.14Å
421	R	98.3	Very high	97.7	Very high	6 Å²	6	30.3 Å²	30.3	2%	0.023	14%	0.142	C	C	.	.	H	α-helix	trans	-68.5	-40.5	176.6	-157.5	66	59.7	146.6	13.3	112.7	E283 I285 E287 I395 I398 E399 L417 F418 N419 R423 K424 S425	E283-R421 PolarHBondContact O-NH1 3.2Å; E283-R421 PolarHBondContact O-NH2 2.73Å; I285-R421 PolarHBondContact O-NH2 3.43Å; E287-R421 VanDerWaalsContact CD-NH1 3.31Å; E287-R421 IonicContact OE1-NH1 3.97Å; E287-R421 PolarHBondContact OE1-NH1 2.84Å; I395-R421 HydrophobicContact CG2-CB 4.24Å; I395-R421 HydrophobicContact CG2-CG 4.07Å; I395-R421 WeakPolarHBondContact O-CG 3.27Å; I398-R421 HydrophobicContact CB-CG 4.43Å; E399-R421 HydrophobicContact CG-CG 4.34Å; E399-R421 WeakPolarHBondContact OE1-CD 3.09Å; E399-R421 IonicContact OE1-CZ 2.82Å; E399-R421 IonicContact OE1-NE 3.03Å; E399-R421 IonicContact OE1-NH1 3.95Å; E399-R421 PolarHBondContact OE1-NH1 2.89Å; L417-R421 PolarHBondContact O-N 2.88Å; F418-R421 WeakPolarHBondContact O-CB 3.25Å; F418-R421 PolarHBondContact O-N 3.18Å; F418-R421 VanDerWaalsContact O-N 3.15Å; N419-R421 PolarHBondContact O-N 2.82Å; R421-R423 VanDerWaalsContact C-N 3.35Å; R421-K424 PolarHBondContact O-N 2.84Å; R421-S425 WeakPolarHBondContact O-CB 3.42Å; R421-S425 PolarHBondContact O-N 2.97Å; R421-S425 PolarHBondContact O-OG 2.9Å
422	I	98.6	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-48.3	171.5	-63.3	165.7	0	0	0	109.7	I398 L404 L406 P411 F418 N419 K424 S425 W426 L431 V433 Y444	I398-I422 HydrophobicContact CG2-CB 4.46Å; I398-I422 HydrophobicContact CG2-CG1 3.93Å; L404-I422 HydrophobicContact CD2-CB 4.4Å; L404-I422 HydrophobicContact CD2-CD1 3.78Å; L404-I422 HydrophobicContact CD2-CG1 3.73Å; L404-I422 HydrophobicContact CD2-CG2 3.76Å; L406-I422 HydrophobicContact CD2-CD1 4.38Å; P411-I422 HydrophobicContact CB-CD1 4.45Å; P411-I422 HydrophobicContact CG-CD1 4.32Å; F418-I422 HydrophobicContact CD1-CD1 3.85Å; F418-I422 HydrophobicContact CE1-CD1 3.57Å; F418-I422 HydrophobicContact CE1-CG1 4.31Å; F418-I422 HydrophobicContact CZ-CD1 4.13Å; F418-I422 HydrophobicContact CZ-CG1 4.43Å; F418-I422 WeakPolarHBondContact O-CG1 3.43Å; F418-I422 PolarHBondContact O-N 3.49Å; N419-I422 PolarHBondContact O-N 2.81Å; I422-K424 PolarHBondContact O-N 2.87Å; I422-S425 PolarHBondContact O-N 3.32Å; I422-W426 WeakPolarHBondContact O-CB 3.48Å; I422-W426 PolarHBondContact O-N 3.2Å; I422-L431 HydrophobicContact CG2-CD2 4.09Å; I422-V433 HydrophobicContact CG2-CG2 4.01Å; I422-Y444 HydrophobicContact CB-CE1 4.26Å; I422-Y444 HydrophobicContact CG2-CE1 3.94Å; I422-Y444 HydrophobicContact CG2-CE2 3.87Å; I422-Y444 VanDerWaalsContact CG2-CZ 3.47Å; I422-Y444 WeakPolarHBondContact CG2-OH 3.35Å
423	R	98.3	Very high	97.7	Very high	15 Å²	15	36.7 Å²	36.7	6%	0.057	17%	0.167	C	C	.	.	H	α-helix	trans	-59.6	-46.2	179	-174.3	-175.6	177.4	70.1	8.1	112.2	S191 E192 I193 G195 N419 A420 R421 S425 W426 L427 T443 Y444	S191-R423 PolarHBondContact O-NH2 3.11Å; E192-R423 VanDerWaalsContact O-CD 3.31Å; E192-R423 WeakPolarHBondContact O-CD 3.31Å; E192-R423 PolarHBondContact O-NE 2.9Å; I193-R423 WeakPolarHBondContact O-CD 3.36Å; G195-R423 VanDerWaalsContact CA-NE 3.3Å; G195-R423 VanDerWaalsContact CA-NH2 3.32Å; N419-R423 PolarHBondContact O-N 3.36Å; A420-R423 PolarHBondContact O-N 2.63Å; R421-R423 VanDerWaalsContact C-N 3.35Å; R423-S425 VanDerWaalsContact C-N 3.28Å; R423-S425 PolarHBondContact O-N 2.77Å; R423-W426 WeakPolarHBondContact O-CB 3.49Å; R423-W426 PolarHBondContact O-N 3.24Å; R423-L427 WeakPolarHBondContact O-CB 3.49Å; R423-L427 PolarHBondContact O-N 2.83Å; R423-T443 PolarHBondContact NH1-O 3.19Å; R423-T443 PolarHBondContact NH1-OG1 2.96Å; R423-T443 VanDerWaalsContact NH1-OG1 3.13Å; R423-Y444 HydrophobicContact CB-CD1 3.73Å; R423-Y444 HydrophobicContact CB-CE1 4.14Å; R423-Y444 HydrophobicContact CG-CD1 4.05Å
424	K	97.9	Very high	97.7	Very high	40 Å²	40	36 Å²	36	17%	0.174	17%	0.165	C	C	.	.	H	α-helix	trans	-55.8	-46.2	176	-178.7	-172.3	172	-165.7	0	110.7	E287 E399 A420 R421 I422 L427 H428	E287-K424 IonicContact OE1-NZ 3.18Å; E287-K424 PolarHBondContact OE1-NZ 3.46Å; E399-K424 VanDerWaalsContact CD-NZ 3.31Å; E399-K424 IonicContact OE1-NZ 3.52Å; E399-K424 PolarHBondContact OE1-NZ 3.39Å; E399-K424 IonicContact OE2-NZ 3.46Å; E399-K424 PolarHBondContact OE2-NZ 2.93Å; E399-K424 VanDerWaalsContact OE2-NZ 3.17Å; A420-K424 WeakPolarHBondContact O-CB 3.49Å; A420-K424 PolarHBondContact O-N 3.14Å; R421-K424 PolarHBondContact O-N 2.84Å; I422-K424 PolarHBondContact O-N 2.87Å; K424-L427 PolarHBondContact O-N 3.05Å; K424-H428 WeakPolarHBondContact O-CB 3.19Å; K424-H428 PolarHBondContact O-CD2 2.89Å; K424-H428 VanDerWaalsContact O-CD2 3.24Å; K424-H428 PolarHBondContact O-N 2.93Å
425	S	97.8	Very high	97.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.6	-37.6	179.1	-50.9	0	0	0	0	112	I398 E399 R421 I422 R423 L427 N429	I398-S425 PolarHBondContact O-OG 3.49Å; E399-S425 WeakPolarHBondContact CA-OG 3.41Å; R421-S425 WeakPolarHBondContact O-CB 3.42Å; R421-S425 PolarHBondContact O-N 2.97Å; R421-S425 PolarHBondContact O-OG 2.9Å; I422-S425 PolarHBondContact O-N 3.32Å; R423-S425 VanDerWaalsContact C-N 3.28Å; R423-S425 PolarHBondContact O-N 2.77Å; S425-L427 VanDerWaalsContact C-N 3.33Å; S425-L427 PolarHBondContact O-N 2.83Å; S425-N429 CarbonylContact O-C 3.45Å; S425-N429 WeakPolarHBondContact O-CA 3.24Å; S425-N429 WeakPolarHBondContact O-CB 3.46Å; S425-N429 PolarHBondContact O-N 2.7Å
426	W	98.1	Very high	97.7	Very high	74 Å²	74	35.9 Å²	35.9	28%	0.28	16%	0.164	S	C	.	.	H	α-helix	trans	-61.2	-40.7	171.9	174.8	91.5	0	0	0	112.2	I422 R423 T445	I422-W426 WeakPolarHBondContact O-CB 3.48Å; I422-W426 PolarHBondContact O-N 3.2Å; R423-W426 WeakPolarHBondContact O-CB 3.49Å; R423-W426 PolarHBondContact O-N 3.24Å; W426-T445 HydrophobicContact CZ2-CG2 4.39Å; W426-T445 WeakPolarHBondContact CZ2-OG1 3.44Å; W426-T445 PolarHBondContact NE1-O 3Å; W426-T445 PolarHBondContact NE1-OG1 3.19Å; W426-T445 VanDerWaalsContact NE1-OG1 3.13Å
427	L	96.6	Very high	97.6	Very high	74 Å²	74	36 Å²	36	39%	0.387	17%	0.165	S	C	.	.	H	α-helix	trans	-74.4	-37.6	-178.6	-173.2	63.4	0	0	0	113.1	E192 R423 K424 S425	E192-L427 HydrophobicContact CB-CD2 4.14Å; E192-L427 HydrophobicContact CG-CD2 4.3Å; R423-L427 WeakPolarHBondContact O-CB 3.49Å; R423-L427 PolarHBondContact O-N 2.83Å; K424-L427 PolarHBondContact O-N 3.05Å; S425-L427 VanDerWaalsContact C-N 3.33Å; S425-L427 PolarHBondContact O-N 2.83Å
428	H	95.9	Very high	97.6	Very high	121 Å²	121	38.4 Å²	38.4	56%	0.56	18%	0.176	S	C	*	.	H	α-helix	trans	-103	-28.8	-171.4	-67.6	-62.7	0	0	0	114.7	K424	K424-H428 WeakPolarHBondContact O-CB 3.19Å; K424-H428 PolarHBondContact O-CD2 2.89Å; K424-H428 VanDerWaalsContact O-CD2 3.24Å; K424-H428 PolarHBondContact O-N 2.93Å
429	N	95.6	Very high	97.5	Very high	82 Å²	82	44.4 Å²	44.4	44%	0.439	20%	0.204	S	C	.	.	H	α-helix	trans	-119.1	10.2	-169.8	-55.7	-20.8	0	0	0	113	E399 S425 L431	E399-N429 PolarHBondContact O-ND2 3.24Å; S425-N429 CarbonylContact O-C 3.45Å; S425-N429 WeakPolarHBondContact O-CA 3.24Å; S425-N429 WeakPolarHBondContact O-CB 3.46Å; S425-N429 PolarHBondContact O-N 2.7Å; N429-L431 PolarHBondContact O-N 2.89Å
430	E	93.6	Very high	97.4	Very high	175 Å²	175	44.8 Å²	44.8	82%	0.818	21%	0.207	S	C	*	.			trans	55.2	32.7	-179.5	-56.5	-175.8	165	0	0	113.5	R432	E430-R432 PolarHBondContact O-N 2.69Å
431	L	97.4	Very high	97.3	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	23%	0.228	C	C	.	.			trans	-55.5	124.5	-177.9	174.2	64.8	0	0	0	111.5	I398 C401 L404 I422 N429 V433	I398-L431 HydrophobicContact CG2-CD2 4.23Å; C401-L431 HydrophobicContact CB-CD1 3.99Å; C401-L431 WeakPolarHBondContact O-CD1 3.41Å; C401-L431 VanDerWaalsContact SG-CD1 3.59Å; L404-L431 HydrophobicContact CB-CD1 4.01Å; L404-L431 HydrophobicContact CB-CD2 4.28Å; L404-L431 HydrophobicContact CB-CG 4.41Å; L404-L431 HydrophobicContact CD2-CD2 4.23Å; I422-L431 HydrophobicContact CG2-CD2 4.09Å; N429-L431 PolarHBondContact O-N 2.89Å; L431-V433 HydrophobicContact CD2-CG2 3.93Å; L431-V433 HydrophobicContact CG-CG2 3.87Å; L431-V433 PolarHBondContact O-N 3.36Å
432	R	97.8	Very high	97.2	Very high	137 Å²	137	49 Å²	49	52%	0.517	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	111.7	174.7	-59.3	-176.3	72.7	-175.6	0.5	109.5	D402 V403 L404 E430	D402-R432 PolarHBondContact O-N 2.64Å; D402-R432 VanDerWaalsContact O-N 3.14Å; V403-R432 WeakPolarHBondContact CA-O 3.22Å; V403-R432 HydrophobicContact CG2-CB 4.41Å; L404-R432 PolarHBondContact N-O 3.01Å; E430-R432 PolarHBondContact O-N 2.69Å
433	V	98.6	Very high	97.2	Very high	7 Å²	7	50 Å²	50	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.5	-179.9	-171.3	0	0	0	0	110.6	L404 L406 I422 L431 Y444 Y446 E447	L404-V433 HydrophobicContact CB-CG2 4.45Å; L404-V433 HydrophobicContact CD2-CG1 4.27Å; L404-V433 HydrophobicContact CD2-CG2 4.39Å; L404-V433 HydrophobicContact CG-CG1 4.44Å; L404-V433 CarbonylContact O-C 3.44Å; L404-V433 WeakPolarHBondContact O-CA 3.29Å; L406-V433 HydrophobicContact CD1-CG1 4.05Å; L406-V433 HydrophobicContact CG-CG1 4.35Å; I422-V433 HydrophobicContact CG2-CG2 4.01Å; L431-V433 HydrophobicContact CD2-CG2 3.93Å; L431-V433 HydrophobicContact CG-CG2 3.87Å; L431-V433 PolarHBondContact O-N 3.36Å; V433-Y444 HydrophobicContact CB-CE2 4.41Å; V433-Y444 HydrophobicContact CG1-CE2 4.1Å; V433-Y444 HydrophobicContact CG2-CD2 4.49Å; V433-Y444 HydrophobicContact CG2-CE2 4.26Å; V433-Y446 CarbonylContact O-C 3.37Å; V433-Y446 VanDerWaalsContact O-CA 3.31Å; V433-Y446 WeakPolarHBondContact O-CA 3.12Å; V433-Y446 WeakPolarHBondContact O-CB 3.26Å; V433-E447 PolarHBondContact O-N 3.39Å
434	A	98.5	Very high	97.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.4	170.8	0	0	0	0	0	111.7	L404 L405 L406 E447 L449 F466	L404-A434 PolarHBondContact O-N 2.94Å; L405-A434 HydrophobicContact CD1-CB 4.13Å; L406-A434 PolarHBondContact N-O 2.91Å; A434-E447 CarbonylContact C-O 3.59Å; A434-E447 WeakPolarHBondContact CA-O 3.47Å; A434-E447 HydrophobicContact CB-CB 4.18Å; A434-L449 HydrophobicContact CB-CD1 3.92Å; A434-L449 HydrophobicContact CB-CD2 4.12Å; A434-L449 HydrophobicContact CB-CG 3.98Å; A434-F466 HydrophobicContact CB-CD1 4.49Å; A434-F466 HydrophobicContact CB-CD2 4.21Å; A434-F466 HydrophobicContact CB-CE1 3.83Å; A434-F466 HydrophobicContact CB-CE2 3.52Å; A434-F466 HydrophobicContact CB-CZ 3.3Å
435	L	98.6	Very high	97.1	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.1	-179.5	179.5	66.4	0	0	0	110.9	L406 V440 Y446 E447 L449	L406-L435 HydrophobicContact CB-CD1 3.68Å; L406-L435 WeakPolarHBondContact O-CA 3.41Å; L435-V440 HydrophobicContact CD2-CG2 3.96Å; L435-Y446 HydrophobicContact CB-CD2 3.65Å; L435-Y446 HydrophobicContact CB-CE2 3.75Å; L435-Y446 HydrophobicContact CD2-CD2 4.38Å; L435-Y446 HydrophobicContact CD2-CE2 3.72Å; L435-Y446 HydrophobicContact CG-CE2 4.37Å; L435-E447 PolarHBondContact N-O 2.93Å; L435-L449 PolarHBondContact O-N 2.71Å
436	V	98.1	Very high	97.1	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.6	164.8	-178	0	0	0	0	108	L405 L406 G408 L449 G450 V455 L456 L459 L688	L405-V436 HydrophobicContact CD1-CG2 3.94Å; L406-V436 PolarHBondContact O-N 3.3Å; G408-V436 PolarHBondContact N-O 3.23Å; V436-L449 HydrophobicContact CG2-CB 3.92Å; V436-L449 HydrophobicContact CG2-CD1 3.91Å; V436-L449 HydrophobicContact CG2-CG 4.31Å; V436-G450 CarbonylContact C-O 3.58Å; V436-G450 WeakPolarHBondContact CA-O 3.24Å; V436-V455 HydrophobicContact CG1-CB 4.04Å; V436-V455 HydrophobicContact CG1-CG1 4.23Å; V436-V455 HydrophobicContact CG2-CG1 4.05Å; V436-L456 HydrophobicContact CB-CD2 4.29Å; V436-L456 HydrophobicContact CG1-CD2 3.92Å; V436-L456 HydrophobicContact CG1-CG 4.31Å; V436-L456 HydrophobicContact CG2-CD2 4.39Å; V436-L459 HydrophobicContact CG2-CD1 3.91Å; V436-L688 HydrophobicContact CG1-CD1 4.15Å
437	G	96.6	Very high	97.1	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.01	27%	0.27	C	S	.	.	S	Bend	trans	144.8	-171.7	-177.2	0	0	0	0	0	112.2	H448 G450 E451 L688	G437-H448 PolarHBondContact O-NE2 2.87Å; G437-G450 PolarHBondContact N-O 2.61Å; G437-E451 WeakPolarHBondContact O-CA 3.32Å; G437-L688 CarbonylContact C-O 3.53Å; G437-L688 WeakPolarHBondContact CA-O 3.43Å
438	H	96.9	Very high	97.2	Very high	54 Å²	54	55.4 Å²	55.4	25%	0.25	27%	0.266	C	S	.	.	S	Bend	trans	-57.6	141.3	-180	-172.1	54.3	0	0	0	111.6	V440 E451 L688 V689	H438-V440 PolarHBondContact O-N 2.84Å; H438-E451 IonicContact CE1-OE1 3.8Å; H438-E451 IonicContact CG-OE1 2.79Å; H438-E451 IonicContact ND1-OE1 2.76Å; H438-E451 PolarHBondContact ND1-OE1 2.8Å; H438-L688 PolarHBondContact N-O 3.3Å; H438-V689 HydrophobicContact CB-CB 4.48Å; H438-V689 HydrophobicContact CB-CG1 4.36Å; H438-V689 HydrophobicContact CB-CG2 4.33Å
439	Q	96.6	Very high	97.3	Very high	128 Å²	128	50.4 Å²	50.4	60%	0.598	24%	0.244	S	C	*	.			trans	-70.3	119.3	178.9	-165.8	177.7	-2.9	0	0	110.4	Y446	Q439-Y446 VanDerWaalsContact CG-OH 3.31Å; Q439-Y446 WeakPolarHBondContact CG-OH 3.41Å
440	V	96.9	Very high	97.3	Very high	10 Å²	10	47.4 Å²	47.4	6%	0.061	23%	0.232	C	C	.	.			trans	-130.1	154.3	-176.6	-67	0	0	0	0	111.1	N410 L435 H438 L442 Y446 P690	N410-V440 HydrophobicContact CB-CG1 4.47Å; N410-V440 HydrophobicContact CB-CG2 4.32Å; L435-V440 HydrophobicContact CD2-CG2 3.96Å; H438-V440 PolarHBondContact O-N 2.84Å; V440-L442 HydrophobicContact CG2-CD2 3.72Å; V440-L442 HydrophobicContact CG2-CG 4.04Å; V440-L442 PolarHBondContact O-N 2.75Å; V440-Y446 PolarHBondContact N-OH 3.03Å; V440-Y446 WeakPolarHBondContact O-CE1 3.24Å; V440-Y446 PolarHBondContact O-OH 3.06Å; V440-P690 HydrophobicContact CG1-CG 4.16Å
441	D	96.7	Very high	97.3	Very high	103 Å²	103	42.6 Å²	42.6	55%	0.551	21%	0.209	S	C	*	.			trans	-82.2	106.6	175.2	176.9	17.7	0	0	0	111	R412 T443	R412-D441 WeakPolarHBondContact CD-O 3.17Å; R412-D441 IonicContact CZ-OD2 3.5Å; R412-D441 PolarHBondContact NH1-O 2.9Å; R412-D441 IonicContact NH1-OD1 2.94Å; R412-D441 IonicContact NH1-OD2 3.31Å; R412-D441 PolarHBondContact NH1-OD2 3.47Å; D441-T443 PolarHBondContact OD1-N 3.06Å
442	L	97.1	Very high	97.1	Very high	1 Å²	1	48 Å²	48	1%	0.005	23%	0.233	C	C	.	.			trans	-95.2	0.5	179.3	-61.3	-178.7	0	0	0	114	L406 N410 P411 R412 N419 V440 Y444 Y446	L406-L442 HydrophobicContact CD1-CD1 3.94Å; N410-L442 WeakPolarHBondContact OD1-CD2 3.49Å; P411-L442 HydrophobicContact CG-CD2 4.04Å; R412-L442 HydrophobicContact CB-CD2 4.35Å; N419-L442 PolarHBondContact ND2-O 3.18Å; V440-L442 HydrophobicContact CG2-CD2 3.72Å; V440-L442 HydrophobicContact CG2-CG 4.04Å; V440-L442 PolarHBondContact O-N 2.75Å; L442-Y444 HydrophobicContact CB-CD1 4.48Å; L442-Y444 HydrophobicContact CB-CD2 4.3Å; L442-Y444 HydrophobicContact CB-CE1 4.03Å; L442-Y444 HydrophobicContact CB-CE2 3.79Å; L442-Y444 HydrophobicContact CD1-CE2 3.91Å; L442-Y444 WeakPolarHBondContact O-CD1 3.2Å; L442-Y444 WeakPolarHBondContact O-CE1 3.27Å; L442-Y444 PolarHBondContact O-N 3.02Å; L442-Y446 HydrophobicContact CB-CD1 4.39Å; L442-Y446 HydrophobicContact CB-CE1 4.41Å; L442-Y446 HydrophobicContact CD1-CD1 3.85Å; L442-Y446 HydrophobicContact CD1-CE1 4.02Å; L442-Y446 HydrophobicContact CD1-CG 4.36Å; L442-Y446 HydrophobicContact CG-CD1 4.3Å; L442-Y446 HydrophobicContact CG-CE1 4.11Å
443	T	96.8	Very high	96.8	Very high	22 Å²	22	41.5 Å²	41.5	14%	0.135	21%	0.208	C	C	.	.	S	Bend	trans	74.1	-16.4	-172.1	79.6	0	0	0	0	116.2	R423 D441	R423-T443 PolarHBondContact NH1-O 3.19Å; R423-T443 PolarHBondContact NH1-OG1 2.96Å; R423-T443 VanDerWaalsContact NH1-OG1 3.13Å; D441-T443 PolarHBondContact OD1-N 3.06Å
444	Y	97.3	Very high	96.5	Very high	13 Å²	13	43.2 Å²	43.2	5%	0.051	22%	0.22	C	C	.	.	S	Bend	trans	-122.7	166.3	176.1	47.6	-97.2	0	0	0	111.2	N419 I422 R423 V433 L442	N419-Y444 WeakPolarHBondContact OD1-CE1 3.37Å; N419-Y444 PolarHBondContact OD1-OH 3.39Å; I422-Y444 HydrophobicContact CB-CE1 4.26Å; I422-Y444 HydrophobicContact CG2-CE1 3.94Å; I422-Y444 HydrophobicContact CG2-CE2 3.87Å; I422-Y444 VanDerWaalsContact CG2-CZ 3.47Å; I422-Y444 WeakPolarHBondContact CG2-OH 3.35Å; R423-Y444 HydrophobicContact CB-CD1 3.73Å; R423-Y444 HydrophobicContact CB-CE1 4.14Å; R423-Y444 HydrophobicContact CG-CD1 4.05Å; V433-Y444 HydrophobicContact CB-CE2 4.41Å; V433-Y444 HydrophobicContact CG1-CE2 4.1Å; V433-Y444 HydrophobicContact CG2-CD2 4.49Å; V433-Y444 HydrophobicContact CG2-CE2 4.26Å; L442-Y444 HydrophobicContact CB-CD1 4.48Å; L442-Y444 HydrophobicContact CB-CD2 4.3Å; L442-Y444 HydrophobicContact CB-CE1 4.03Å; L442-Y444 HydrophobicContact CB-CE2 3.79Å; L442-Y444 HydrophobicContact CD1-CE2 3.91Å; L442-Y444 WeakPolarHBondContact O-CD1 3.2Å; L442-Y444 WeakPolarHBondContact O-CE1 3.27Å; L442-Y444 PolarHBondContact O-N 3.02Å
445	T	97.9	Very high	96.4	Very high	99 Å²	99	43.8 Å²	43.8	61%	0.607	22%	0.224	S	C	*	.			trans	-78.5	142.9	178.8	58.7	0	0	0	0	111.2	W426	W426-T445 HydrophobicContact CZ2-CG2 4.39Å; W426-T445 WeakPolarHBondContact CZ2-OG1 3.44Å; W426-T445 PolarHBondContact NE1-O 3Å; W426-T445 PolarHBondContact NE1-OG1 3.19Å; W426-T445 VanDerWaalsContact NE1-OG1 3.13Å
446	Y	98.3	Very high	96.2	Very high	49 Å²	49	43.7 Å²	43.7	19%	0.192	22%	0.224	C	C	.	.			trans	-147.5	157.3	177.6	63.5	-92.2	0	0	0	110.8	V433 L435 Q439 V440 L442 H448	V433-Y446 CarbonylContact O-C 3.37Å; V433-Y446 VanDerWaalsContact O-CA 3.31Å; V433-Y446 WeakPolarHBondContact O-CA 3.12Å; V433-Y446 WeakPolarHBondContact O-CB 3.26Å; L435-Y446 HydrophobicContact CB-CD2 3.65Å; L435-Y446 HydrophobicContact CB-CE2 3.75Å; L435-Y446 HydrophobicContact CD2-CD2 4.38Å; L435-Y446 HydrophobicContact CD2-CE2 3.72Å; L435-Y446 HydrophobicContact CG-CE2 4.37Å; Q439-Y446 VanDerWaalsContact CG-OH 3.31Å; Q439-Y446 WeakPolarHBondContact CG-OH 3.41Å; V440-Y446 PolarHBondContact N-OH 3.03Å; V440-Y446 WeakPolarHBondContact O-CE1 3.24Å; V440-Y446 PolarHBondContact O-OH 3.06Å; L442-Y446 HydrophobicContact CB-CD1 4.39Å; L442-Y446 HydrophobicContact CB-CE1 4.41Å; L442-Y446 HydrophobicContact CD1-CD1 3.85Å; L442-Y446 HydrophobicContact CD1-CE1 4.02Å; L442-Y446 HydrophobicContact CD1-CG 4.36Å; L442-Y446 HydrophobicContact CG-CD1 4.3Å; L442-Y446 HydrophobicContact CG-CE1 4.11Å; Y446-H448 HydrophobicContact CD2-CB 4.46Å; Y446-H448 HydrophobicContact CE2-CB 4Å
447	E	98.1	Very high	96	Very high	88 Å²	88	47.7 Å²	47.7	41%	0.411	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	114.3	173.1	-164.2	-179.4	153.9	0	0	109.7	V433 A434 L435 L449	V433-E447 PolarHBondContact O-N 3.39Å; A434-E447 CarbonylContact C-O 3.59Å; A434-E447 WeakPolarHBondContact CA-O 3.47Å; A434-E447 HydrophobicContact CB-CB 4.18Å; L435-E447 PolarHBondContact N-O 2.93Å; E447-L449 HydrophobicContact CB-CD2 4.23Å; E447-L449 HydrophobicContact CG-CD2 3.74Å; E447-L449 PolarHBondContact O-N 2.68Å
448	H	98.1	Very high	95.9	Very high	67 Å²	67	51.4 Å²	51.4	31%	0.31	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	111.9	176.5	-173.3	-115.2	0	0	0	109.9	G437 Y446	G437-H448 PolarHBondContact O-NE2 2.87Å; Y446-H448 HydrophobicContact CD2-CB 4.46Å; Y446-H448 HydrophobicContact CE2-CB 4Å
449	L	97.2	Very high	95.8	Very high	17 Å²	17	49.1 Å²	49.1	9%	0.089	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-9	-175.1	-50.2	-172.8	0	0	0	112.7	L405 A434 L435 V436 E447 V455 L459 F466	L405-L449 HydrophobicContact CD1-CD1 3.84Å; A434-L449 HydrophobicContact CB-CD1 3.92Å; A434-L449 HydrophobicContact CB-CD2 4.12Å; A434-L449 HydrophobicContact CB-CG 3.98Å; L435-L449 PolarHBondContact O-N 2.71Å; V436-L449 HydrophobicContact CG2-CB 3.92Å; V436-L449 HydrophobicContact CG2-CD1 3.91Å; V436-L449 HydrophobicContact CG2-CG 4.31Å; E447-L449 HydrophobicContact CB-CD2 4.23Å; E447-L449 HydrophobicContact CG-CD2 3.74Å; E447-L449 PolarHBondContact O-N 2.68Å; L449-V455 HydrophobicContact CB-CG1 4.16Å; L449-L459 HydrophobicContact CD1-CD1 4.31Å; L449-F466 HydrophobicContact CD1-CB 3.9Å; L449-F466 HydrophobicContact CD1-CD1 3.66Å; L449-F466 HydrophobicContact CD1-CD2 4.28Å; L449-F466 HydrophobicContact CD1-CE1 4.25Å; L449-F466 HydrophobicContact CD1-CG 3.68Å; L449-F466 HydrophobicContact CD2-CB 4.13Å; L449-F466 HydrophobicContact CD2-CD2 3.98Å; L449-F466 HydrophobicContact CD2-CG 4.07Å
450	G	95.4	Very high	95.7	Very high	19 Å²	19	43.7 Å²	43.7	20%	0.196	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.4	164	-179.8	0	0	0	0	0	113	V436 G437	V436-G450 CarbonylContact C-O 3.58Å; V436-G450 WeakPolarHBondContact CA-O 3.24Å; G437-G450 PolarHBondContact N-O 2.61Å
451	E	93.9	Very high	95.5	Very high	73 Å²	73	49.1 Å²	49.1	34%	0.341	25%	0.253	S	S	.	.	S	Bend	trans	-91.9	-24.1	-173.4	-55.5	-165.9	133.9	0	0	114.1	G437 H438 P687 L688	G437-E451 WeakPolarHBondContact O-CA 3.32Å; H438-E451 IonicContact CE1-OE1 3.8Å; H438-E451 IonicContact CG-OE1 2.79Å; H438-E451 IonicContact ND1-OE1 2.76Å; H438-E451 PolarHBondContact ND1-OE1 2.8Å; E451-P687 HydrophobicContact CB-CB 4.11Å; E451-P687 CarbonylContact O-C 3.53Å; E451-P687 VanDerWaalsContact O-CA 3.27Å; E451-P687 WeakPolarHBondContact O-CA 3.39Å; E451-L688 PolarHBondContact O-N 2.87Å
452	K	93.8	Very high	95.3	Very high	120 Å²	120	46.2 Å²	46.2	52%	0.522	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-84.9	145.9	-170	-64.1	-179.6	-177.2	176.8	0	111.9	S454 V455	K452-S454 PolarHBondContact O-N 2.98Å; K452-S454 VanDerWaalsContact O-N 3.11Å; K452-V455 WeakPolarHBondContact O-CG2 3.29Å; K452-V455 PolarHBondContact O-N 3.39Å
453	S	91.3	Very high	95.2	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.8	171.6	61.6	0	0	0	0	113.9	V455 L456 I684 A686	S453-V455 PolarHBondContact O-N 2.54Å; S453-L456 VanDerWaalsContact O-CB 3.28Å; S453-L456 WeakPolarHBondContact O-CB 3.36Å; S453-L456 PolarHBondContact O-N 3.06Å; S453-I684 PolarHBondContact OG-O 2.96Å; S453-A686 PolarHBondContact N-O 3.18Å
454	S	92.8	Very high	95.1	Very high	42 Å²	42	51.2 Å²	51.2	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-60	-30.9	175.6	58.7	0	0	0	0	112.8	K452 L456 K457 E458	K452-S454 PolarHBondContact O-N 2.98Å; K452-S454 VanDerWaalsContact O-N 3.11Å; S454-L456 PolarHBondContact O-N 2.89Å; S454-K457 WeakPolarHBondContact O-CB 3.32Å; S454-K457 PolarHBondContact O-N 3.3Å; S454-E458 PolarHBondContact O-N 3.17Å
455	V	95.3	Very high	95.1	Very high	12 Å²	12	54.9 Å²	54.9	7%	0.073	30%	0.302	C	S	.	.	H	α-helix	trans	-60.7	-32.2	175.7	-179.2	0	0	0	0	110.9	V436 L449 K452 S453 K457 E458 L459	V436-V455 HydrophobicContact CG1-CB 4.04Å; V436-V455 HydrophobicContact CG1-CG1 4.23Å; V436-V455 HydrophobicContact CG2-CG1 4.05Å; L449-V455 HydrophobicContact CB-CG1 4.16Å; K452-V455 WeakPolarHBondContact O-CG2 3.29Å; K452-V455 PolarHBondContact O-N 3.39Å; S453-V455 PolarHBondContact O-N 2.54Å; V455-K457 VanDerWaalsContact C-N 3.31Å; V455-K457 PolarHBondContact O-N 3.36Å; V455-E458 PolarHBondContact O-N 3.48Å; V455-L459 HydrophobicContact CG1-CD1 4.08Å; V455-L459 HydrophobicContact CG1-CG 4.38Å; V455-L459 WeakPolarHBondContact O-CG 3.16Å; V455-L459 PolarHBondContact O-N 3.17Å
456	L	95.6	Very high	95	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-35.2	174.6	-56.4	178.6	0	0	0	111.9	V407 V436 S453 S454 A460 I493 A496 V497 I500 L683 L688	V407-L456 HydrophobicContact CG1-CD1 3.93Å; V407-L456 HydrophobicContact CG1-CD2 3.75Å; V407-L456 HydrophobicContact CG1-CG 4.44Å; V407-L456 HydrophobicContact CG2-CD2 4.04Å; V436-L456 HydrophobicContact CB-CD2 4.29Å; V436-L456 HydrophobicContact CG1-CD2 3.92Å; V436-L456 HydrophobicContact CG1-CG 4.31Å; V436-L456 HydrophobicContact CG2-CD2 4.39Å; S453-L456 VanDerWaalsContact O-CB 3.28Å; S453-L456 WeakPolarHBondContact O-CB 3.36Å; S453-L456 PolarHBondContact O-N 3.06Å; S454-L456 PolarHBondContact O-N 2.89Å; L456-A460 WeakPolarHBondContact O-CB 3.4Å; L456-A460 PolarHBondContact O-N 2.94Å; L456-I493 HydrophobicContact CD1-CG2 4.01Å; L456-A496 HydrophobicContact CB-CB 4.05Å; L456-V497 HydrophobicContact CD1-CG2 4.49Å; L456-I500 HydrophobicContact CB-CD1 4.43Å; L456-I500 HydrophobicContact CD2-CD1 4.17Å; L456-L683 HydrophobicContact CB-CD1 4.42Å; L456-L688 HydrophobicContact CD1-CD1 4.17Å
457	K	93	Very high	94.8	Very high	84 Å²	84	48.8 Å²	48.8	37%	0.365	27%	0.27	S	S	.	.	H	α-helix	trans	-65.7	-42.7	172.7	-64.9	-169.9	169.8	176.9	0	110.8	S454 V455 A460 N461 D682 L683	S454-K457 WeakPolarHBondContact O-CB 3.32Å; S454-K457 PolarHBondContact O-N 3.3Å; V455-K457 VanDerWaalsContact C-N 3.31Å; V455-K457 PolarHBondContact O-N 3.36Å; K457-A460 PolarHBondContact O-N 3.24Å; K457-N461 VanDerWaalsContact O-CB 3.3Å; K457-N461 WeakPolarHBondContact O-CB 3.36Å; K457-N461 PolarHBondContact O-N 2.93Å; K457-N461 PolarHBondContact O-ND2 2.8Å; K457-D682 IonicContact NZ-OD1 3.83Å; K457-L683 HydrophobicContact CD-CD1 4.11Å; K457-L683 HydrophobicContact CG-CD1 3.42Å; K457-L683 VanDerWaalsContact CG-CD1 3.42Å
458	E	94.9	Very high	94.6	Very high	79 Å²	79	51.8 Å²	51.8	37%	0.369	28%	0.284	S	S	.	.	H	α-helix	trans	-65.8	-38.8	179.8	-63.4	173.2	-159.7	0	0	112.2	S454 V455 G462 T463 H464	S454-E458 PolarHBondContact O-N 3.17Å; V455-E458 PolarHBondContact O-N 3.48Å; E458-G462 PolarHBondContact O-N 2.72Å; E458-G462 VanDerWaalsContact O-N 3.12Å; E458-T463 WeakPolarHBondContact CA-OG1 3.35Å; E458-T463 WeakPolarHBondContact CB-OG1 3.08Å; E458-T463 PolarHBondContact O-N 3.2Å; E458-T463 PolarHBondContact O-OG1 3.11Å; E458-H464 HydrophobicContact CB-CB 3.92Å; E458-H464 PolarHBondContact O-N 3.42Å; E458-H464 IonicContact OE2-CD2 3.64Å
459	L	95.5	Very high	94.5	Very high	5 Å²	5	50 Å²	50	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-67.1	-44.8	172.8	-72.7	166.8	0	0	0	111.7	L405 V436 L449 V455 N461 G462 H464 F466 I500	L405-L459 HydrophobicContact CD2-CD1 4.13Å; V436-L459 HydrophobicContact CG2-CD1 3.91Å; L449-L459 HydrophobicContact CD1-CD1 4.31Å; V455-L459 HydrophobicContact CG1-CD1 4.08Å; V455-L459 HydrophobicContact CG1-CG 4.38Å; V455-L459 WeakPolarHBondContact O-CG 3.16Å; V455-L459 PolarHBondContact O-N 3.17Å; L459-N461 VanDerWaalsContact C-N 3.29Å; L459-N461 PolarHBondContact O-N 2.76Å; L459-G462 PolarHBondContact O-N 2.73Å; L459-G462 VanDerWaalsContact O-N 3.14Å; L459-H464 HydrophobicContact CD2-CB 3.87Å; L459-H464 HydrophobicContact CG-CB 4.11Å; L459-F466 HydrophobicContact CD2-CB 4.05Å; L459-F466 HydrophobicContact CD2-CD1 4.21Å; L459-I500 HydrophobicContact CB-CD1 3.64Å; L459-I500 HydrophobicContact CB-CG1 3.9Å; L459-I500 HydrophobicContact CD1-CD1 4.27Å
460	A	92.9	Very high	94.3	Very high	14 Å²	14	49.5 Å²	49.5	12%	0.116	28%	0.275	C	S	.	.	H	α-helix	trans	-64.1	-34.5	178.2	0	0	0	0	0	112.4	L456 K457 G462 T499 I500 N503	L456-A460 WeakPolarHBondContact O-CB 3.4Å; L456-A460 PolarHBondContact O-N 2.94Å; K457-A460 PolarHBondContact O-N 3.24Å; A460-G462 VanDerWaalsContact C-N 3.33Å; A460-T499 HydrophobicContact CB-CG2 4.05Å; A460-I500 HydrophobicContact CB-CG1 4.02Å; A460-N503 PolarHBondContact O-ND2 3.38Å
461	N	92.9	Very high	94.1	Very high	125 Å²	125	50.3 Å²	50.3	67%	0.668	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.5	176.6	-67.6	-20.5	0	0	0	113.5	K457 L459 T463	K457-N461 VanDerWaalsContact O-CB 3.3Å; K457-N461 WeakPolarHBondContact O-CB 3.36Å; K457-N461 PolarHBondContact O-N 2.93Å; K457-N461 PolarHBondContact O-ND2 2.8Å; L459-N461 VanDerWaalsContact C-N 3.29Å; L459-N461 PolarHBondContact O-N 2.76Å; N461-T463 VanDerWaalsContact C-N 3.27Å; N461-T463 HydrophobicContact CB-CG2 4.26Å; N461-T463 PolarHBondContact O-N 2.84Å
462	G	92.3	Very high	94.1	Very high	41 Å²	41	50.7 Å²	50.7	42%	0.423	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	12.4	-177.7	0	0	0	0	0	114.9	E458 L459 A460	E458-G462 PolarHBondContact O-N 2.72Å; E458-G462 VanDerWaalsContact O-N 3.12Å; L459-G462 PolarHBondContact O-N 2.73Å; L459-G462 VanDerWaalsContact O-N 3.14Å; A460-G462 VanDerWaalsContact C-N 3.33Å
463	T	95	Very high	94.1	Very high	101 Å²	101	45.1 Å²	45.1	62%	0.62	27%	0.272	S	S	*	.			trans	-82.6	-26.4	-179.8	57.1	0	0	0	0	112.5	E458 N461	E458-T463 WeakPolarHBondContact CA-OG1 3.35Å; E458-T463 WeakPolarHBondContact CB-OG1 3.08Å; E458-T463 PolarHBondContact O-N 3.2Å; E458-T463 PolarHBondContact O-OG1 3.11Å; N461-T463 VanDerWaalsContact C-N 3.27Å; N461-T463 HydrophobicContact CB-CG2 4.26Å; N461-T463 PolarHBondContact O-N 2.84Å
464	H	96.4	Very high	94.1	Very high	28 Å²	28	49 Å²	49	13%	0.13	30%	0.296	C	S	.	.	S	Bend	trans	-73.2	138.1	177.8	-167.9	-88.9	0	0	0	110.9	E458 L459 F466 S467	E458-H464 HydrophobicContact CB-CB 3.92Å; E458-H464 PolarHBondContact O-N 3.42Å; E458-H464 IonicContact OE2-CD2 3.64Å; L459-H464 HydrophobicContact CD2-CB 3.87Å; L459-H464 HydrophobicContact CG-CB 4.11Å; H464-F466 VanDerWaalsContact C-N 3.26Å; H464-F466 VanDerWaalsContact ND1-CB 3.3Å; H464-F466 WeakPolarHBondContact ND1-CB 3.43Å; H464-F466 PolarHBondContact ND1-N 3.17Å; H464-F466 VanDerWaalsContact ND1-N 3.16Å; H464-F466 PolarHBondContact O-N 2.91Å; H464-S467 VanDerWaalsContact O-CB 3.24Å; H464-S467 WeakPolarHBondContact O-CB 3.47Å; H464-S467 PolarHBondContact O-N 3.03Å; H464-S467 PolarHBondContact O-OG 3.04Å
465	P	95.7	Very high	94.2	Very high	90 Å²	90	50.4 Å²	50.4	58%	0.584	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-38.3	-179	-28	35.2	0	0	0	114.2	S467 Q468	P465-S467 PolarHBondContact O-N 2.76Å; P465-S467 VanDerWaalsContact O-N 3.13Å; P465-Q468 WeakPolarHBondContact O-CB 3.41Å; P465-Q468 PolarHBondContact O-N 2.66Å; P465-Q468 VanDerWaalsContact O-N 3.1Å
466	F	96.1	Very high	94.3	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-18.9	178.5	-164	-97.9	0	0	0	113.8	V403 L405 A434 L449 L459 H464 Q468 V469 L470	V403-F466 HydrophobicContact CG1-CE1 4.19Å; V403-F466 HydrophobicContact CG1-CZ 3.66Å; L405-F466 HydrophobicContact CB-CE1 4.39Å; L405-F466 HydrophobicContact CD1-CE1 4.23Å; A434-F466 HydrophobicContact CB-CD1 4.49Å; A434-F466 HydrophobicContact CB-CD2 4.21Å; A434-F466 HydrophobicContact CB-CE1 3.83Å; A434-F466 HydrophobicContact CB-CE2 3.52Å; A434-F466 HydrophobicContact CB-CZ 3.3Å; L449-F466 HydrophobicContact CD1-CB 3.9Å; L449-F466 HydrophobicContact CD1-CD1 3.66Å; L449-F466 HydrophobicContact CD1-CD2 4.28Å; L449-F466 HydrophobicContact CD1-CE1 4.25Å; L449-F466 HydrophobicContact CD1-CG 3.68Å; L449-F466 HydrophobicContact CD2-CB 4.13Å; L449-F466 HydrophobicContact CD2-CD2 3.98Å; L449-F466 HydrophobicContact CD2-CG 4.07Å; L459-F466 HydrophobicContact CD2-CB 4.05Å; L459-F466 HydrophobicContact CD2-CD1 4.21Å; H464-F466 VanDerWaalsContact C-N 3.26Å; H464-F466 VanDerWaalsContact ND1-CB 3.3Å; H464-F466 WeakPolarHBondContact ND1-CB 3.43Å; H464-F466 PolarHBondContact ND1-N 3.17Å; H464-F466 VanDerWaalsContact ND1-N 3.16Å; H464-F466 PolarHBondContact O-N 2.91Å; F466-Q468 PolarHBondContact O-N 3.4Å; F466-V469 HydrophobicContact CD2-CB 4.17Å; F466-V469 HydrophobicContact CD2-CG1 4.48Å; F466-V469 HydrophobicContact CD2-CG2 4.27Å; F466-V469 HydrophobicContact CE2-CB 4.3Å; F466-V469 HydrophobicContact CE2-CG1 4.13Å; F466-V469 HydrophobicContact CG-CB 4.49Å; F466-V469 HydrophobicContact CZ-CG1 4.48Å; F466-V469 WeakPolarHBondContact O-CB 3.4Å; F466-V469 PolarHBondContact O-N 3.15Å; F466-V469 VanDerWaalsContact O-N 3.08Å; F466-L470 HydrophobicContact CD1-CD1 3.91Å; F466-L470 HydrophobicContact CD1-CG 3.88Å; F466-L470 HydrophobicContact CE1-CD1 3.99Å; F466-L470 HydrophobicContact CE1-CD2 3.92Å; F466-L470 HydrophobicContact CE1-CG 3.68Å; F466-L470 PolarHBondContact O-N 3.06Å
467	S	94.8	Very high	94.3	Very high	18 Å²	18	49.8 Å²	49.8	13%	0.126	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-32.9	174.7	-39.2	0	0	0	0	111.8	H464 P465 V469 A471	H464-S467 VanDerWaalsContact O-CB 3.24Å; H464-S467 WeakPolarHBondContact O-CB 3.47Å; H464-S467 PolarHBondContact O-N 3.03Å; H464-S467 PolarHBondContact O-OG 3.04Å; P465-S467 PolarHBondContact O-N 2.76Å; P465-S467 VanDerWaalsContact O-N 3.13Å; S467-V469 VanDerWaalsContact C-N 3.33Å; S467-A471 VanDerWaalsContact O-CB 3.31Å; S467-A471 WeakPolarHBondContact O-CB 3.35Å; S467-A471 PolarHBondContact O-N 2.88Å
468	Q	93.6	Very high	94.6	Very high	150 Å²	150	45.8 Å²	45.8	70%	0.701	28%	0.277	S	S	*	.	H	α-helix	trans	-70.2	-33.6	175.3	-61.7	177.6	9.9	0	0	111.4	P465 F466 A471 A472	P465-Q468 WeakPolarHBondContact O-CB 3.41Å; P465-Q468 PolarHBondContact O-N 2.66Å; P465-Q468 VanDerWaalsContact O-N 3.1Å; F466-Q468 PolarHBondContact O-N 3.4Å; Q468-A471 PolarHBondContact O-N 3.48Å; Q468-A472 WeakPolarHBondContact O-CB 3.47Å; Q468-A472 PolarHBondContact O-N 2.9Å
469	V	95.3	Very high	94.7	Very high	31 Å²	31	42 Å²	42	19%	0.188	26%	0.259	C	S	.	.	H	α-helix	trans	-66.2	-47.2	175.5	-177.5	0	0	0	0	110	V403 F466 S467 A471 A472 A473	V403-V469 HydrophobicContact CG1-CG1 4.25Å; V403-V469 HydrophobicContact CG2-CG1 4.12Å; F466-V469 HydrophobicContact CD2-CB 4.17Å; F466-V469 HydrophobicContact CD2-CG1 4.48Å; F466-V469 HydrophobicContact CD2-CG2 4.27Å; F466-V469 HydrophobicContact CE2-CB 4.3Å; F466-V469 HydrophobicContact CE2-CG1 4.13Å; F466-V469 HydrophobicContact CG-CB 4.49Å; F466-V469 HydrophobicContact CZ-CG1 4.48Å; F466-V469 WeakPolarHBondContact O-CB 3.4Å; F466-V469 PolarHBondContact O-N 3.15Å; F466-V469 VanDerWaalsContact O-N 3.08Å; S467-V469 VanDerWaalsContact C-N 3.33Å; V469-A471 VanDerWaalsContact C-N 3.32Å; V469-A471 PolarHBondContact O-N 3.42Å; V469-A472 PolarHBondContact O-N 2.99Å; V469-A473 PolarHBondContact O-N 3.28Å; V469-A473 VanDerWaalsContact O-N 3.13Å
470	L	94.1	Very high	94.9	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-39.2	174.7	-72.3	170.8	0	0	0	112.6	V403 L405 F466 A472 A473 P476 I500 A504 S508	V403-L470 HydrophobicContact CG1-CD2 3.85Å; L405-L470 HydrophobicContact CD2-CD1 4.13Å; F466-L470 HydrophobicContact CD1-CD1 3.91Å; F466-L470 HydrophobicContact CD1-CG 3.88Å; F466-L470 HydrophobicContact CE1-CD1 3.99Å; F466-L470 HydrophobicContact CE1-CD2 3.92Å; F466-L470 HydrophobicContact CE1-CG 3.68Å; F466-L470 PolarHBondContact O-N 3.06Å; L470-A472 VanDerWaalsContact C-N 3.28Å; L470-A472 PolarHBondContact O-N 3.38Å; L470-A473 PolarHBondContact O-N 3.37Å; L470-P476 HydrophobicContact CD2-CB 4.35Å; L470-I500 HydrophobicContact CD1-CG2 3.9Å; L470-A504 HydrophobicContact CB-CB 4.37Å; L470-S508 PolarHBondContact O-OG 2.96Å
471	A	91.8	Very high	95.1	Very high	35 Å²	35	41.1 Å²	41.1	29%	0.289	25%	0.252	S	S	.	.	H	α-helix	trans	-71	-20.6	177.7	0	0	0	0	0	113.9	S467 Q468 V469 S508	S467-A471 VanDerWaalsContact O-CB 3.31Å; S467-A471 WeakPolarHBondContact O-CB 3.35Å; S467-A471 PolarHBondContact O-N 2.88Å; Q468-A471 PolarHBondContact O-N 3.48Å; V469-A471 VanDerWaalsContact C-N 3.32Å; V469-A471 PolarHBondContact O-N 3.42Å; A471-S508 WeakPolarHBondContact CA-OG 3.39Å; A471-S508 VanDerWaalsContact O-CA 3.22Å; A471-S508 WeakPolarHBondContact O-CA 3.23Å; A471-S508 WeakPolarHBondContact O-CB 3.33Å; A471-S508 PolarHBondContact O-OG 3.26Å
472	A	93.3	Very high	95.4	Very high	81 Å²	81	35.3 Å²	35.3	67%	0.669	22%	0.221	S	C	*	.	H	α-helix	trans	-93.8	-14.1	176.7	0	0	0	0	0	113.1	Q468 V469 L470	Q468-A472 WeakPolarHBondContact O-CB 3.47Å; Q468-A472 PolarHBondContact O-N 2.9Å; V469-A472 PolarHBondContact O-N 2.99Å; L470-A472 VanDerWaalsContact C-N 3.28Å; L470-A472 PolarHBondContact O-N 3.38Å
473	A	93.2	Very high	95.6	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.033	21%	0.205	C	C	.	.			trans	-72.1	135.5	-177.6	0	0	0	0	0	112.2	V403 V469 L470 P476 S508	V403-A473 HydrophobicContact CB-CB 3.88Å; V403-A473 HydrophobicContact CG2-CB 3.61Å; V469-A473 PolarHBondContact O-N 3.28Å; V469-A473 VanDerWaalsContact O-N 3.13Å; L470-A473 PolarHBondContact O-N 3.37Å; A473-P476 HydrophobicContact CB-CB 3.95Å; A473-P476 HydrophobicContact CB-CG 4.33Å; A473-S508 WeakPolarHBondContact O-CB 3.49Å; A473-S508 PolarHBondContact O-OG 3.11Å
474	T	92.3	Very high	95.7	Very high	82 Å²	82	29.4 Å²	29.4	50%	0.503	18%	0.178	S	C	.	.	S	Bend	trans	-77.3	-38.3	176.3	57.5	0	0	0	0	112.8	D402 P476	D402-T474 WeakPolarHBondContact OD2-CA 3.31Å; D402-T474 PolarHBondContact OD2-N 3.15Å; D402-T474 PolarHBondContact OD2-OG1 2.92Å; T474-P476 VanDerWaalsContact C-CD 3.42Å
475	H	94.6	Very high	95.7	Very high	70 Å²	70	28.1 Å²	28.1	32%	0.324	17%	0.172	S	C	.	.	S	Bend	trans	-129.7	59.1	-176.4	-61.3	91.9	0	0	0	111.1	E400 C401 D402 W514	E400-H475 WeakPolarHBondContact O-CB 3.46Å; C401-H475 PolarHBondContact SG-O 3.14Å; D402-H475 PolarHBondContact N-O 3.44Å; D402-H475 WeakPolarHBondContact OD1-CA 3.33Å; D402-H475 PolarHBondContact OD1-N 3.09Å; D402-H475 VanDerWaalsContact OD1-O 3.07Å; D402-H475 PolarHBondContact OD2-N 3Å; H475-W514 HydrophobicContact CB-CD2 4.41Å; H475-W514 HydrophobicContact CB-CH2 4.29Å; H475-W514 HydrophobicContact CB-CZ2 3.78Å; H475-W514 AromaticContact CD2-CD2 3.93Å; H475-W514 AromaticContact CD2-CE3 3.91Å
476	P	96.1	Very high	95.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	142.5	-178	28.2	-33.1	0	0	0	111.2	V403 L470 A473 T474 A504 V510 W514 V516	V403-P476 WeakPolarHBondContact O-CA 3.35Å; L470-P476 HydrophobicContact CD2-CB 4.35Å; A473-P476 HydrophobicContact CB-CB 3.95Å; A473-P476 HydrophobicContact CB-CG 4.33Å; T474-P476 VanDerWaalsContact C-CD 3.42Å; P476-A504 HydrophobicContact CB-CB 4.43Å; P476-A504 HydrophobicContact CG-CB 4.17Å; P476-V510 HydrophobicContact CG-CG2 3.82Å; P476-W514 PolarHBondContact O-NE1 2.92Å; P476-V516 HydrophobicContact CB-CG1 4.49Å; P476-V516 HydrophobicContact CG-CG1 4.41Å; P476-V516 HydrophobicContact CG-CG2 4.23Å
477	V	97	Very high	95.6	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.4	174	175.3	0	0	0	0	109.1	I398 C401 V403 L404 L405 V479 W514	I398-V477 HydrophobicContact CD1-CG1 3.97Å; C401-V477 HydrophobicContact CB-CG2 3.94Å; C401-V477 VanDerWaalsContact SG-CG2 3.53Å; V403-V477 PolarHBondContact O-N 3.06Å; L404-V477 WeakPolarHBondContact CA-O 3.5Å; L404-V477 HydrophobicContact CD1-CB 3.94Å; L404-V477 HydrophobicContact CD1-CG1 3.64Å; L405-V477 PolarHBondContact N-O 2.82Å; V477-V479 HydrophobicContact CG1-CG2 3.85Å; V477-W514 HydrophobicContact CG2-CZ2 3.62Å
478	V	98	Very high	95.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.4	175.9	-175.2	0	0	0	0	108.7	L405 V497 I500 V516 N518	L405-V478 HydrophobicContact CB-CG1 4.36Å; L405-V478 HydrophobicContact CB-CG2 4.3Å; L405-V478 HydrophobicContact CD2-CG1 4.04Å; L405-V478 HydrophobicContact CD2-CG2 4.45Å; L405-V478 HydrophobicContact CG-CG1 4.34Å; L405-V478 WeakPolarHBondContact O-CA 3.49Å; V478-V497 HydrophobicContact CG1-CG1 3.7Å; V478-I500 HydrophobicContact CG2-CG2 4.31Å; V478-V516 HydrophobicContact CG2-CG1 3.94Å; V478-V516 PolarHBondContact N-O 3.46Å; V478-N518 WeakPolarHBondContact O-CB 3.17Å; V478-N518 PolarHBondContact O-N 3Å
479	V	98.6	Very high	95.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.4	-178.9	-177	0	0	0	0	109.6	L391 L404 L405 L406 V407 F418 V477 N518 L520	L391-V479 HydrophobicContact CD1-CG2 4.44Å; L404-V479 HydrophobicContact CD1-CG2 3.78Å; L405-V479 PolarHBondContact O-N 2.89Å; L406-V479 CarbonylContact C-O 3.59Å; L406-V479 HydrophobicContact CD2-CB 3.99Å; L406-V479 HydrophobicContact CD2-CG1 4.48Å; L406-V479 HydrophobicContact CD2-CG2 4.4Å; V407-V479 PolarHBondContact N-O 2.84Å; F418-V479 HydrophobicContact CE1-CG1 4.4Å; F418-V479 HydrophobicContact CE1-CG2 4.48Å; F418-V479 HydrophobicContact CZ-CG2 4.09Å; V477-V479 HydrophobicContact CG1-CG2 3.85Å; V479-N518 WeakPolarHBondContact CA-O 3.39Å; V479-N518 HydrophobicContact CB-CB 4.47Å; V479-N518 HydrophobicContact CG2-CB 3.97Å; V479-L520 HydrophobicContact CG1-CB 3.66Å
480	V	98.4	Very high	95.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.6	167	60.8	0	0	0	0	110	V407 A484 L485 I493 L494 V497 N518 V519 L520	V407-V480 HydrophobicContact CB-CB 4.28Å; V407-V480 HydrophobicContact CB-CG2 4.32Å; V407-V480 HydrophobicContact CG1-CG2 4.27Å; V480-A484 HydrophobicContact CG2-CB 4.31Å; V480-L485 HydrophobicContact CG2-CD2 3.99Å; V480-L485 HydrophobicContact CG2-CG 4.28Å; V480-I493 HydrophobicContact CG2-CG2 4.26Å; V480-L494 HydrophobicContact CG1-CD1 4.35Å; V480-V497 HydrophobicContact CB-CG1 4.21Å; V480-V497 HydrophobicContact CB-CG2 4.3Å; V480-V497 HydrophobicContact CG1-CG1 4.25Å; V480-V497 HydrophobicContact CG2-CG2 4.45Å; V480-N518 PolarHBondContact N-O 3Å; V480-V519 HydrophobicContact CG1-CB 4.46Å; V480-V519 HydrophobicContact CG1-CG2 3.83Å; V480-V519 WeakPolarHBondContact O-CA 3.1Å; V480-L520 PolarHBondContact O-N 3.43Å
481	G	98.3	Very high	95.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	139.3	173	0	0	0	0	0	112	V407 S483 A484	V407-G481 PolarHBondContact O-N 3.48Å; V407-G481 VanDerWaalsContact O-N 3.1Å; G481-S483 PolarHBondContact O-N 3.19Å; G481-A484 WeakPolarHBondContact O-CB 3.45Å; G481-A484 PolarHBondContact O-N 2.99Å; G481-A484 VanDerWaalsContact O-N 3.09Å
482	S	97.7	Very high	95.6	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-28	171.9	70.3	0	0	0	0	112	E374 L485 Q486 L520	E374-S482 WeakPolarHBondContact OE1-CB 3.43Å; E374-S482 PolarHBondContact OE1-OG 2.79Å; S482-L485 WeakPolarHBondContact O-CB 3.2Å; S482-L485 PolarHBondContact O-N 3.25Å; S482-Q486 PolarHBondContact O-N 2.83Å; S482-Q486 PolarHBondContact O-NE2 3.22Å; S482-L520 WeakPolarHBondContact CB-O 3.46Å; S482-L520 PolarHBondContact N-O 2.85Å; S482-L520 PolarHBondContact OG-O 2.82Å
483	S	96.6	Very high	95.7	Very high	11 Å²	11	23 Å²	23	8%	0.077	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-37.6	175.8	60.3	0	0	0	0	113.4	E414 G481 L485 Q486 P691	E414-S483 WeakPolarHBondContact OE1-CB 3.45Å; E414-S483 PolarHBondContact OE1-OG 3.39Å; G481-S483 PolarHBondContact O-N 3.19Å; S483-L485 PolarHBondContact O-N 3.4Å; S483-Q486 WeakPolarHBondContact O-CB 3.42Å; S483-Q486 WeakPolarHBondContact O-CG 3.49Å; S483-Q486 PolarHBondContact O-N 3.45Å; S483-P691 VanDerWaalsContact CB-CD 3.45Å
484	A	96.8	Very high	95.9	Very high	7 Å²	7	23.3 Å²	23.3	6%	0.058	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-65.1	-29.6	174.3	0	0	0	0	0	112.2	V480 G481 Q486 L688	V480-A484 HydrophobicContact CG2-CB 4.31Å; G481-A484 WeakPolarHBondContact O-CB 3.45Å; G481-A484 PolarHBondContact O-N 2.99Å; G481-A484 VanDerWaalsContact O-N 3.09Å; A484-Q486 VanDerWaalsContact C-N 3.25Å; A484-Q486 PolarHBondContact O-N 3.04Å; A484-L688 HydrophobicContact CB-CD2 4.4Å
485	L	96.4	Very high	96	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-77.9	-7.7	179.4	-55.9	-178.7	0	0	0	113.4	F376 P377 V480 S482 S483 R487 I493 L494 V519	F376-L485 HydrophobicContact CD2-CD1 3.88Å; F376-L485 HydrophobicContact CE2-CD1 3.74Å; P377-L485 HydrophobicContact CG-CB 4.2Å; P377-L485 HydrophobicContact CG-CD2 4.34Å; V480-L485 HydrophobicContact CG2-CD2 3.99Å; V480-L485 HydrophobicContact CG2-CG 4.28Å; S482-L485 WeakPolarHBondContact O-CB 3.2Å; S482-L485 PolarHBondContact O-N 3.25Å; S483-L485 PolarHBondContact O-N 3.4Å; L485-R487 PolarHBondContact O-N 3.45Å; L485-I493 HydrophobicContact CD2-CB 4.43Å; L485-I493 HydrophobicContact CD2-CG2 4.16Å; L485-L494 HydrophobicContact CD2-CB 4.01Å; L485-V519 HydrophobicContact CD1-CG1 4.21Å
486	Q	95.6	Very high	96	Very high	58 Å²	58	17.6 Å²	17.6	27%	0.271	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	-73.6	-14	174	-54.3	-51.9	-66.3	0	0	113.1	V375 S482 S483 A484	V375-Q486 PolarHBondContact O-NE2 2.9Å; S482-Q486 PolarHBondContact O-N 2.83Å; S482-Q486 PolarHBondContact O-NE2 3.22Å; S483-Q486 WeakPolarHBondContact O-CB 3.42Å; S483-Q486 WeakPolarHBondContact O-CG 3.49Å; S483-Q486 PolarHBondContact O-N 3.45Å; A484-Q486 VanDerWaalsContact C-N 3.25Å; A484-Q486 PolarHBondContact O-N 3.04Å
487	R	94.2	Very high	96	Very high	53 Å²	53	17.6 Å²	17.6	20%	0.2	9%	0.091	C	C	.	.	S	Bend	trans	-66.7	154.8	177.2	-70.9	171.5	48	155.9	-8	110.7	L485 D489 G490 I493 I684 A686 P687 L688	L485-R487 PolarHBondContact O-N 3.45Å; R487-D489 VanDerWaalsContact CB-OD1 3.31Å; R487-D489 WeakPolarHBondContact CB-OD1 3.31Å; R487-D489 IonicContact CZ-OD1 3.62Å; R487-D489 VanDerWaalsContact CZ-OD1 3.31Å; R487-D489 IonicContact CZ-OD2 2.72Å; R487-D489 IonicContact NE-OD1 3.78Å; R487-D489 PolarHBondContact NE-OD1 3.26Å; R487-D489 IonicContact NE-OD2 2.98Å; R487-D489 VanDerWaalsContact NH2-CG 3.26Å; R487-D489 IonicContact NH2-OD1 3.38Å; R487-D489 PolarHBondContact NH2-OD1 2.67Å; R487-D489 IonicContact NH2-OD2 3.19Å; R487-D489 PolarHBondContact NH2-OD2 3.44Å; R487-D489 PolarHBondContact O-N 2.88Å; R487-D489 VanDerWaalsContact O-N 3.14Å; R487-G490 PolarHBondContact O-N 3.33Å; R487-I493 HydrophobicContact CB-CD1 4.41Å; R487-I684 PolarHBondContact NH2-O 2.85Å; R487-A686 PolarHBondContact NH1-O 2.84Å; R487-P687 PolarHBondContact NH1-O 3.41Å; R487-L688 VanDerWaalsContact NH1-CD2 3.3Å
488	E	92.1	Very high	95.8	Very high	172 Å²	172	17.9 Å²	17.9	80%	0.804	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-33.6	175.7	-63.8	-176.8	174.4	0	0	112.3	Q681 I684	E488-Q681 PolarHBondContact O-NE2 3.33Å; E488-I684 HydrophobicContact CB-CD1 4.27Å
489	D	94.2	Very high	95.6	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	21.4	175.7	67.6	-32.6	0	0	0	115	R487 A491 A492 I493 I684	R487-D489 VanDerWaalsContact CB-OD1 3.31Å; R487-D489 WeakPolarHBondContact CB-OD1 3.31Å; R487-D489 IonicContact CZ-OD1 3.62Å; R487-D489 VanDerWaalsContact CZ-OD1 3.31Å; R487-D489 IonicContact CZ-OD2 2.72Å; R487-D489 IonicContact NE-OD1 3.78Å; R487-D489 PolarHBondContact NE-OD1 3.26Å; R487-D489 IonicContact NE-OD2 2.98Å; R487-D489 VanDerWaalsContact NH2-CG 3.26Å; R487-D489 IonicContact NH2-OD1 3.38Å; R487-D489 PolarHBondContact NH2-OD1 2.67Å; R487-D489 IonicContact NH2-OD2 3.19Å; R487-D489 PolarHBondContact NH2-OD2 3.44Å; R487-D489 PolarHBondContact O-N 2.88Å; R487-D489 VanDerWaalsContact O-N 3.14Å; D489-A491 PolarHBondContact O-N 3.08Å; D489-A492 HydrophobicContact CB-CB 4.43Å; D489-A492 WeakPolarHBondContact O-CB 3.37Å; D489-A492 PolarHBondContact O-N 3.16Å; D489-I493 WeakPolarHBondContact O-CG1 3.49Å; D489-I493 PolarHBondContact O-N 3.19Å; D489-I684 HydrophobicContact CB-CB 4.39Å; D489-I684 HydrophobicContact CB-CD1 3.82Å; D489-I684 HydrophobicContact CB-CG1 3.86Å; D489-I684 WeakPolarHBondContact OD2-CB 3.45Å; D489-I684 PolarHBondContact OD2-N 3.09Å
490	G	94.8	Very high	95.4	Very high	2 Å²	2	19.9 Å²	19.9	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-54.4	-35.8	179.4	0	0	0	0	0	114	P377 R487 I493 L494	P377-G490 VanDerWaalsContact CG-C 3.4Å; P377-G490 WeakPolarHBondContact CG-O 2.97Å; R487-G490 PolarHBondContact O-N 3.33Å; G490-I493 PolarHBondContact O-N 3.26Å; G490-L494 WeakPolarHBondContact O-CB 3.35Å; G490-L494 PolarHBondContact O-N 3.48Å
491	A	94.4	Very high	95.2	Very high	12 Å²	12	20.1 Å²	20.1	10%	0.099	11%	0.107	C	C	.	.	H	α-helix	trans	-68.3	-38.3	177.3	0	0	0	0	0	112.4	P377 A379 D489 S495 V679	P377-A491 HydrophobicContact CB-CB 3.8Å; A379-A491 HydrophobicContact CB-CB 4.09Å; D489-A491 PolarHBondContact O-N 3.08Å; A491-S495 WeakPolarHBondContact O-CB 3.34Å; A491-S495 PolarHBondContact O-N 3.35Å; A491-V679 HydrophobicContact CB-CG1 3.77Å
492	A	94.8	Very high	94.9	Very high	8 Å²	8	21.9 Å²	21.9	7%	0.066	12%	0.115	C	C	.	.	H	α-helix	trans	-67	-38.7	174.6	0	0	0	0	0	111.3	D489 S495 A496 Q681 L683	D489-A492 HydrophobicContact CB-CB 4.43Å; D489-A492 WeakPolarHBondContact O-CB 3.37Å; D489-A492 PolarHBondContact O-N 3.16Å; A492-S495 PolarHBondContact O-N 2.84Å; A492-A496 WeakPolarHBondContact O-CB 3.25Å; A492-A496 PolarHBondContact O-N 3.45Å; A492-Q681 HydrophobicContact CB-CB 4.18Å; A492-Q681 HydrophobicContact CB-CG 4.18Å; A492-Q681 WeakPolarHBondContact CB-O 3.46Å; A492-L683 HydrophobicContact CB-CD2 3.73Å; A492-L683 HydrophobicContact CB-CG 3.98Å
493	I	96	Very high	94.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.5	-51.8	174.7	-65.9	167	0	0	0	110	L456 V480 L485 R487 D489 G490 S495 A496 V497 L683 L688	L456-I493 HydrophobicContact CD1-CG2 4.01Å; V480-I493 HydrophobicContact CG2-CG2 4.26Å; L485-I493 HydrophobicContact CD2-CB 4.43Å; L485-I493 HydrophobicContact CD2-CG2 4.16Å; R487-I493 HydrophobicContact CB-CD1 4.41Å; D489-I493 WeakPolarHBondContact O-CG1 3.49Å; D489-I493 PolarHBondContact O-N 3.19Å; G490-I493 PolarHBondContact O-N 3.26Å; I493-S495 VanDerWaalsContact C-N 3.32Å; I493-S495 PolarHBondContact O-N 2.89Å; I493-A496 PolarHBondContact O-N 2.94Å; I493-V497 HydrophobicContact CG2-CG2 4.41Å; I493-V497 VanDerWaalsContact O-CG2 3.31Å; I493-V497 WeakPolarHBondContact O-CG2 3.35Å; I493-V497 PolarHBondContact O-N 2.93Å; I493-L683 HydrophobicContact CB-CD2 4.29Å; I493-L683 HydrophobicContact CG1-CD2 3.54Å; I493-L688 HydrophobicContact CD1-CD2 3.67Å; I493-L688 HydrophobicContact CG1-CD2 4.48Å
494	L	95.9	Very high	94.3	Very high	11 Å²	11	24.3 Å²	24.3	6%	0.058	13%	0.128	C	C	.	.	H	α-helix	trans	-60.9	-40.8	179.5	-175.6	60.9	0	0	0	111.9	F376 P377 V480 L485 G490 V497 S498 V519	F376-L494 HydrophobicContact CE1-CD2 4.31Å; F376-L494 HydrophobicContact CE2-CD2 4.24Å; F376-L494 HydrophobicContact CZ-CD2 3.69Å; P377-L494 HydrophobicContact CB-CD2 4.39Å; P377-L494 HydrophobicContact CG-CD2 4.43Å; V480-L494 HydrophobicContact CG1-CD1 4.35Å; L485-L494 HydrophobicContact CD2-CB 4.01Å; G490-L494 WeakPolarHBondContact O-CB 3.35Å; G490-L494 PolarHBondContact O-N 3.48Å; L494-V497 PolarHBondContact O-N 2.76Å; L494-S498 WeakPolarHBondContact O-CB 3.38Å; L494-S498 PolarHBondContact O-N 3.25Å; L494-V519 HydrophobicContact CD1-CG2 4.46Å
495	S	94.7	Very high	93.9	Very high	20 Å²	20	26.1 Å²	26.1	14%	0.14	13%	0.133	C	C	.	.	H	α-helix	trans	-64.6	-41.6	176.8	-171.8	0	0	0	0	112.5	A491 A492 I493 S498 T499 S676	A491-S495 WeakPolarHBondContact O-CB 3.34Å; A491-S495 PolarHBondContact O-N 3.35Å; A492-S495 PolarHBondContact O-N 2.84Å; I493-S495 VanDerWaalsContact C-N 3.32Å; I493-S495 PolarHBondContact O-N 2.89Å; S495-S498 PolarHBondContact O-N 3.3Å; S495-T499 WeakPolarHBondContact O-CB 3.42Å; S495-T499 PolarHBondContact O-N 2.6Å; S495-T499 PolarHBondContact O-OG1 2.83Å; S495-S676 PolarHBondContact OG-O 3.13Å
496	A	94.9	Very high	93.4	Very high	11 Å²	11	30.4 Å²	30.4	9%	0.091	16%	0.159	C	C	.	.	H	α-helix	trans	-63.6	-45	174.8	0	0	0	0	0	111.5	L456 A492 I493 T499 I500 L683	L456-A496 HydrophobicContact CB-CB 4.05Å; A492-A496 WeakPolarHBondContact O-CB 3.25Å; A492-A496 PolarHBondContact O-N 3.45Å; I493-A496 PolarHBondContact O-N 2.94Å; A496-T499 WeakPolarHBondContact O-CB 3.24Å; A496-T499 PolarHBondContact O-N 2.87Å; A496-I500 VanDerWaalsContact O-CG1 3.29Å; A496-I500 WeakPolarHBondContact O-CG1 3.43Å; A496-I500 PolarHBondContact O-N 3.42Å; A496-L683 HydrophobicContact CB-CD1 4.24Å
497	V	95.8	Very high	92.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-42.6	177.4	174.7	0	0	0	0	111.6	V407 L456 V478 V480 I493 L494 T499 I500 A501 L517	V407-V497 HydrophobicContact CB-CG2 4.38Å; V407-V497 HydrophobicContact CG1-CG2 4.05Å; V407-V497 HydrophobicContact CG2-CG2 4.23Å; L456-V497 HydrophobicContact CD1-CG2 4.49Å; V478-V497 HydrophobicContact CG1-CG1 3.7Å; V480-V497 HydrophobicContact CB-CG1 4.21Å; V480-V497 HydrophobicContact CB-CG2 4.3Å; V480-V497 HydrophobicContact CG1-CG1 4.25Å; V480-V497 HydrophobicContact CG2-CG2 4.45Å; I493-V497 HydrophobicContact CG2-CG2 4.41Å; I493-V497 VanDerWaalsContact O-CG2 3.31Å; I493-V497 WeakPolarHBondContact O-CG2 3.35Å; I493-V497 PolarHBondContact O-N 2.93Å; L494-V497 PolarHBondContact O-N 2.76Å; V497-T499 VanDerWaalsContact C-N 3.29Å; V497-T499 PolarHBondContact O-N 2.88Å; V497-I500 PolarHBondContact O-N 3.18Å; V497-A501 WeakPolarHBondContact O-CB 3.3Å; V497-A501 PolarHBondContact O-N 3.03Å; V497-L517 HydrophobicContact CG1-CD1 3.66Å
498	S	94.2	Very high	91.6	Very high	7 Å²	7	30 Å²	30	5%	0.049	17%	0.171	C	C	.	.	H	α-helix	trans	-58.5	-42.3	173.3	179.4	0	0	0	0	111.6	L494 S495 A501 Q502 N673	L494-S498 WeakPolarHBondContact O-CB 3.38Å; L494-S498 PolarHBondContact O-N 3.25Å; S495-S498 PolarHBondContact O-N 3.3Å; S498-A501 PolarHBondContact O-N 3.22Å; S498-Q502 WeakPolarHBondContact O-CB 3.48Å; S498-Q502 PolarHBondContact O-N 2.84Å; S498-N673 WeakPolarHBondContact OG-CB 3.5Å; S498-N673 PolarHBondContact OG-OD1 3.34Å
499	T	93.6	Very high	90.4	Very high	37 Å²	37	25.1 Å²	25.1	23%	0.227	17%	0.167	C	C	.	.	H	α-helix	trans	-64.4	-43.8	176.5	-58.4	0	0	0	0	111.6	A460 S495 A496 V497 Q502 N503	A460-T499 HydrophobicContact CB-CG2 4.05Å; S495-T499 WeakPolarHBondContact O-CB 3.42Å; S495-T499 PolarHBondContact O-N 2.6Å; S495-T499 PolarHBondContact O-OG1 2.83Å; A496-T499 WeakPolarHBondContact O-CB 3.24Å; A496-T499 PolarHBondContact O-N 2.87Å; V497-T499 VanDerWaalsContact C-N 3.29Å; V497-T499 PolarHBondContact O-N 2.88Å; T499-Q502 PolarHBondContact O-N 2.84Å; T499-N503 WeakPolarHBondContact O-CB 3.48Å; T499-N503 PolarHBondContact O-N 2.85Å; T499-N503 PolarHBondContact O-OD1 2.94Å
500	I	94.9	Very high	89.8	Confident	4 Å²	4	25.6 Å²	25.6	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-48.1	175.7	-66.5	162.8	0	0	0	110.6	L405 L456 L459 A460 L470 V478 A496 V497 Q502 N503 A504	L405-I500 HydrophobicContact CD2-CG2 4.17Å; L456-I500 HydrophobicContact CB-CD1 4.43Å; L456-I500 HydrophobicContact CD2-CD1 4.17Å; L459-I500 HydrophobicContact CB-CD1 3.64Å; L459-I500 HydrophobicContact CB-CG1 3.9Å; L459-I500 HydrophobicContact CD1-CD1 4.27Å; A460-I500 HydrophobicContact CB-CG1 4.02Å; L470-I500 HydrophobicContact CD1-CG2 3.9Å; V478-I500 HydrophobicContact CG2-CG2 4.31Å; A496-I500 VanDerWaalsContact O-CG1 3.29Å; A496-I500 WeakPolarHBondContact O-CG1 3.43Å; A496-I500 PolarHBondContact O-N 3.42Å; V497-I500 PolarHBondContact O-N 3.18Å; I500-Q502 VanDerWaalsContact C-N 3.34Å; I500-Q502 PolarHBondContact O-N 2.78Å; I500-N503 PolarHBondContact O-N 2.94Å; I500-A504 PolarHBondContact O-N 2.84Å
501	A	94	Very high	89.1	Confident	5 Å²	5	30.8 Å²	30.8	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-41	179	0	0	0	0	0	112	V497 S498 R505 V516 L517	V497-A501 WeakPolarHBondContact O-CB 3.3Å; V497-A501 PolarHBondContact O-N 3.03Å; S498-A501 PolarHBondContact O-N 3.22Å; A501-R505 WeakPolarHBondContact O-CB 3.27Å; A501-R505 PolarHBondContact O-N 3.45Å; A501-V516 HydrophobicContact CB-CB 4.23Å; A501-V516 HydrophobicContact CB-CG1 3.83Å; A501-L517 HydrophobicContact CB-CB 3.8Å; A501-L517 HydrophobicContact CB-CD1 4.29Å
502	Q	91.4	Very high	88.1	Confident	37 Å²	37	36.3 Å²	36.3	17%	0.173	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-41.8	176.3	-175.8	61.2	35.8	0	0	112	S498 T499 I500 R505 T506	S498-Q502 WeakPolarHBondContact O-CB 3.48Å; S498-Q502 PolarHBondContact O-N 2.84Å; T499-Q502 PolarHBondContact O-N 2.84Å; I500-Q502 VanDerWaalsContact C-N 3.34Å; I500-Q502 PolarHBondContact O-N 2.78Å; Q502-R505 PolarHBondContact O-N 3.15Å; Q502-T506 VanDerWaalsContact NE2-CG2 3.34Å; Q502-T506 WeakPolarHBondContact O-CG2 2.98Å; Q502-T506 PolarHBondContact O-N 2.76Å; Q502-T506 PolarHBondContact O-OG1 3.41Å; Q502-T506 VanDerWaalsContact O-OG1 3.13Å
503	N	91.5	Very high	87.5	Confident	61 Å²	61	38 Å²	38	33%	0.326	24%	0.243	S	C	.	.	H	α-helix	trans	-63.5	-43.5	177.9	-72.6	-10	0	0	0	111.7	A460 T499 I500 R505 T506 S507	A460-N503 PolarHBondContact O-ND2 3.38Å; T499-N503 WeakPolarHBondContact O-CB 3.48Å; T499-N503 PolarHBondContact O-N 2.85Å; T499-N503 PolarHBondContact O-OD1 2.94Å; I500-N503 PolarHBondContact O-N 2.94Å; N503-R505 VanDerWaalsContact C-N 3.35Å; N503-T506 PolarHBondContact O-N 3.34Å; N503-T506 PolarHBondContact O-OG1 3.17Å; N503-T506 VanDerWaalsContact O-OG1 3.09Å; N503-S507 VanDerWaalsContact O-CB 3.23Å; N503-S507 WeakPolarHBondContact O-CB 3.43Å; N503-S507 PolarHBondContact O-N 3.06Å; N503-S507 PolarHBondContact O-OG 3.42Å
504	A	90.9	Very high	87.3	Confident	3 Å²	3	39.2 Å²	39.2	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-47.5	173.9	0	0	0	0	0	110.3	L470 P476 I500 T506 S507 S508 V516	L470-A504 HydrophobicContact CB-CB 4.37Å; P476-A504 HydrophobicContact CB-CB 4.43Å; P476-A504 HydrophobicContact CG-CB 4.17Å; I500-A504 PolarHBondContact O-N 2.84Å; A504-T506 PolarHBondContact O-N 2.95Å; A504-S507 PolarHBondContact O-N 3.5Å; A504-S508 PolarHBondContact O-N 3.46Å; A504-S508 PolarHBondContact O-OG 2.97Å; A504-V516 HydrophobicContact CB-CG1 4.35Å
505	R	88.3	Confident	87.2	Confident	46 Å²	46	39.7 Å²	39.7	17%	0.174	25%	0.249	C	C	.	.	H	α-helix	trans	-58.8	-42.3	178	-172.3	176	-176.6	141.8	8.9	113.4	A501 Q502 N503 V510 N512 V516	A501-R505 WeakPolarHBondContact O-CB 3.27Å; A501-R505 PolarHBondContact O-N 3.45Å; Q502-R505 PolarHBondContact O-N 3.15Å; N503-R505 VanDerWaalsContact C-N 3.35Å; R505-V510 HydrophobicContact CG-CB 4.48Å; R505-N512 PolarHBondContact NH2-O 2.69Å; R505-V516 HydrophobicContact CB-CG2 4.27Å
506	T	86	Confident	87.2	Confident	91 Å²	91	38.9 Å²	38.9	56%	0.558	24%	0.244	S	C	*	.	H	α-helix	trans	-76.6	-30.9	-178.6	50.5	0	0	0	0	113.4	Q502 N503 A504	Q502-T506 VanDerWaalsContact NE2-CG2 3.34Å; Q502-T506 WeakPolarHBondContact O-CG2 2.98Å; Q502-T506 PolarHBondContact O-N 2.76Å; Q502-T506 PolarHBondContact O-OG1 3.41Å; Q502-T506 VanDerWaalsContact O-OG1 3.13Å; N503-T506 PolarHBondContact O-N 3.34Å; N503-T506 PolarHBondContact O-OG1 3.17Å; N503-T506 VanDerWaalsContact O-OG1 3.09Å; A504-T506 PolarHBondContact O-N 2.95Å
507	S	79.4	Confident	87.3	Confident	76 Å²	76	38.7 Å²	38.7	53%	0.531	24%	0.241	S	C	.	.	H	α-helix	trans	-87.6	-36.3	-171.9	-51.7	0	0	0	0	112.4	N503 A504	N503-S507 VanDerWaalsContact O-CB 3.23Å; N503-S507 WeakPolarHBondContact O-CB 3.43Å; N503-S507 PolarHBondContact O-N 3.06Å; N503-S507 PolarHBondContact O-OG 3.42Å; A504-S507 PolarHBondContact O-N 3.5Å
508	S	70.9	Confident	87.4	Confident	25 Å²	25	38.7 Å²	38.7	18%	0.175	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	4.1	-170.1	-26.9	0	0	0	0	115.1	L470 A471 A473 A504 V510	L470-S508 PolarHBondContact O-OG 2.96Å; A471-S508 WeakPolarHBondContact CA-OG 3.39Å; A471-S508 VanDerWaalsContact O-CA 3.22Å; A471-S508 WeakPolarHBondContact O-CA 3.23Å; A471-S508 WeakPolarHBondContact O-CB 3.33Å; A471-S508 PolarHBondContact O-OG 3.26Å; A473-S508 WeakPolarHBondContact O-CB 3.49Å; A473-S508 PolarHBondContact O-OG 3.11Å; A504-S508 PolarHBondContact O-N 3.46Å; A504-S508 PolarHBondContact O-OG 2.97Å; S508-V510 PolarHBondContact O-N 3.25Å
509	G	68.8	Low	87.6	Confident	71 Å²	71	38.4 Å²	38.4	73%	0.732	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	24.7	-177.7	0	0	0	0	0	113.5
510	V	80.7	Confident	87.8	Confident	11 Å²	11	36.6 Å²	36.6	7%	0.067	23%	0.228	C	C	.	.			trans	-50.4	136.4	178.7	178.5	0	0	0	0	110.2	P476 R505 S508 W514 V516	P476-V510 HydrophobicContact CG-CG2 3.82Å; R505-V510 HydrophobicContact CG-CB 4.48Å; S508-V510 PolarHBondContact O-N 3.25Å; V510-W514 HydrophobicContact CG1-CB 3.57Å; V510-W514 HydrophobicContact CG1-CG 3.91Å; V510-V516 HydrophobicContact CG1-CG2 4.38Å
511	D	79.6	Confident	88	Confident	110 Å²	110	36.5 Å²	36.5	59%	0.588	23%	0.227	S	C	*	.			trans	-56.1	146.5	178.1	-178.6	37.9	0	0	0	111.5	G513 W514	D511-G513 PolarHBondContact O-N 2.8Å; D511-G513 VanDerWaalsContact O-N 3.12Å; D511-G513 PolarHBondContact OD2-N 2.73Å; D511-W514 PolarHBondContact O-N 3.29Å; D511-W514 VanDerWaalsContact O-N 3.09Å
512	N	74.4	Confident	88.2	Confident	129 Å²	129	39.4 Å²	39.4	69%	0.69	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.5	-178.7	-74.9	-42.8	0	0	0	112.4	R505	R505-N512 PolarHBondContact NH2-O 2.69Å
513	G	82.5	Confident	88.5	Confident	42 Å²	42	39 Å²	39	43%	0.433	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-31.8	175.8	0	0	0	0	0	114.5	D511 K515	D511-G513 PolarHBondContact O-N 2.8Å; D511-G513 VanDerWaalsContact O-N 3.12Å; D511-G513 PolarHBondContact OD2-N 2.73Å; G513-K515 WeakPolarHBondContact O-CD 3.38Å; G513-K515 WeakPolarHBondContact O-CE 3.03Å; G513-K515 PolarHBondContact O-NZ 3.42Å
514	W	91.3	Very high	88.8	Confident	26 Å²	26	36.4 Å²	36.4	10%	0.098	22%	0.224	C	C	.	.			trans	-71.6	139.6	-170.3	-172	-105.6	0	0	0	113	G397 E400 H475 P476 V477 V510 D511	G397-W514 WeakPolarHBondContact O-CH2 3.43Å; E400-W514 HydrophobicContact CB-CH2 3.85Å; E400-W514 HydrophobicContact CB-CZ3 4.06Å; H475-W514 HydrophobicContact CB-CD2 4.41Å; H475-W514 HydrophobicContact CB-CH2 4.29Å; H475-W514 HydrophobicContact CB-CZ2 3.78Å; H475-W514 AromaticContact CD2-CD2 3.93Å; H475-W514 AromaticContact CD2-CE3 3.91Å; P476-W514 PolarHBondContact O-NE1 2.92Å; V477-W514 HydrophobicContact CG2-CZ2 3.62Å; V510-W514 HydrophobicContact CG1-CB 3.57Å; V510-W514 HydrophobicContact CG1-CG 3.91Å; D511-W514 PolarHBondContact O-N 3.29Å; D511-W514 VanDerWaalsContact O-N 3.09Å
515	K	93.6	Very high	89.2	Confident	21 Å²	21	36.3 Å²	36.3	9%	0.091	22%	0.223	C	C	.	.			trans	-108.9	114.7	-176.7	-47.9	-53.2	-172.2	-164.4	0	109.9	N392 G513 E665 F669	N392-K515 HydrophobicContact CB-CB 3.64Å; N392-K515 HydrophobicContact CB-CG 4.03Å; G513-K515 WeakPolarHBondContact O-CD 3.38Å; G513-K515 WeakPolarHBondContact O-CE 3.03Å; G513-K515 PolarHBondContact O-NZ 3.42Å; K515-E665 WeakPolarHBondContact CE-OE1 3.34Å; K515-E665 IonicContact NZ-OE1 2.94Å; K515-E665 PolarHBondContact NZ-OE1 3.32Å; K515-F669 HydrophobicContact CB-CZ 4.42Å; K515-F669 HydrophobicContact CD-CE2 3.7Å; K515-F669 HydrophobicContact CD-CZ 3.92Å; K515-F669 HydrophobicContact CG-CZ 4.41Å
516	V	95.1	Very high	89.7	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.024	22%	0.216	C	C	.	.			trans	-91.3	-44.1	-175.2	-176.8	0	0	0	0	112.1	P476 V478 A501 A504 R505 V510 N518	P476-V516 HydrophobicContact CB-CG1 4.49Å; P476-V516 HydrophobicContact CG-CG1 4.41Å; P476-V516 HydrophobicContact CG-CG2 4.23Å; V478-V516 HydrophobicContact CG2-CG1 3.94Å; V478-V516 PolarHBondContact N-O 3.46Å; A501-V516 HydrophobicContact CB-CB 4.23Å; A501-V516 HydrophobicContact CB-CG1 3.83Å; A504-V516 HydrophobicContact CB-CG1 4.35Å; R505-V516 HydrophobicContact CB-CG2 4.27Å; V510-V516 HydrophobicContact CG1-CG2 4.38Å; V516-N518 PolarHBondContact O-ND2 2.92Å
517	L	96.4	Very high	90.3	Very high	7 Å²	7	30 Å²	30	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	129.9	-177.3	177.6	64.3	0	0	0	110.8	N392 V497 A501 F669	N392-L517 PolarHBondContact ND2-O 3.08Å; V497-L517 HydrophobicContact CG1-CD1 3.66Å; A501-L517 HydrophobicContact CB-CB 3.8Å; A501-L517 HydrophobicContact CB-CD1 4.29Å; L517-F669 HydrophobicContact CB-CD1 4.39Å; L517-F669 HydrophobicContact CB-CE1 4.42Å
518	N	98.1	Very high	91.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143	-179.1	-67.6	-79.1	0	0	0	111.7	L390 L391 N392 S393 V478 V479 V480 V516	L390-N518 WeakPolarHBondContact O-CA 3.12Å; L391-N518 WeakPolarHBondContact CA-OD1 3.5Å; L391-N518 HydrophobicContact CD1-CB 3.69Å; N392-N518 WeakPolarHBondContact CA-OD1 3.45Å; N392-N518 PolarHBondContact N-OD1 2.83Å; S393-N518 PolarHBondContact N-OD1 2.86Å; S393-N518 PolarHBondContact OG-ND2 3.35Å; S393-N518 PolarHBondContact OG-OD1 3.37Å; S393-N518 VanDerWaalsContact OG-OD1 3.12Å; V478-N518 WeakPolarHBondContact O-CB 3.17Å; V478-N518 PolarHBondContact O-N 3Å; V479-N518 WeakPolarHBondContact CA-O 3.39Å; V479-N518 HydrophobicContact CB-CB 4.47Å; V479-N518 HydrophobicContact CG2-CB 3.97Å; V480-N518 PolarHBondContact N-O 3Å; V516-N518 PolarHBondContact O-ND2 2.92Å
519	V	98.4	Very high	92.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.9	170.6	-177.5	0	0	0	0	109	N388 L390 L391 V480 L485 L494 T603	N388-V519 WeakPolarHBondContact O-CG2 3.34Å; L390-V519 CarbonylContact C-O 3.51Å; L390-V519 PolarHBondContact O-N 3Å; L391-V519 PolarHBondContact N-O 3.35Å; V480-V519 HydrophobicContact CG1-CB 4.46Å; V480-V519 HydrophobicContact CG1-CG2 3.83Å; V480-V519 WeakPolarHBondContact O-CA 3.1Å; L485-V519 HydrophobicContact CD1-CG1 4.21Å; L494-V519 HydrophobicContact CD1-CG2 4.46Å; V519-T603 PolarHBondContact O-OG1 3.24Å
520	L	98.6	Very high	93.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	110.2	175.1	-178.1	65.7	0	0	0	109.3	P411 A415 F418 V479 V480 S482 T603	P411-L520 HydrophobicContact CB-CD2 3.96Å; A415-L520 HydrophobicContact CB-CD1 3.76Å; A415-L520 HydrophobicContact CB-CD2 4.08Å; A415-L520 HydrophobicContact CB-CG 4.23Å; F418-L520 HydrophobicContact CB-CD1 4.48Å; F418-L520 HydrophobicContact CD1-CD1 3.91Å; F418-L520 HydrophobicContact CD1-CD2 3.82Å; F418-L520 HydrophobicContact CE1-CD1 4.34Å; F418-L520 HydrophobicContact CE1-CD2 4.12Å; F418-L520 HydrophobicContact CG-CD1 4.17Å; V479-L520 HydrophobicContact CG1-CB 3.66Å; V480-L520 PolarHBondContact O-N 3.43Å; S482-L520 WeakPolarHBondContact CB-O 3.46Å; S482-L520 PolarHBondContact N-O 2.85Å; S482-L520 PolarHBondContact OG-O 2.82Å; L520-T603 HydrophobicContact CD1-CG2 4.14Å
521	H	98.6	Very high	94.7	Very high	2 Å²	2	22 Å²	22	1%	0.009	12%	0.122	C	C	.	.			trans	-82.5	159.6	171.7	-69.3	-77.5	0	0	0	111.3	A260 Y389 V527 T603	A260-H521 HydrophobicContact CB-CB 3.63Å; A260-H521 WeakPolarHBondContact CB-O 2.84Å; Y389-H521 PolarHBondContact O-CD2 3.35Å; Y389-H521 VanDerWaalsContact O-CD2 3.23Å; Y389-H521 PolarHBondContact O-NE2 2.88Å; H521-V527 HydrophobicContact CB-CG2 4.43Å; H521-V527 VanDerWaalsContact CD2-CG2 3.46Å; H521-V527 WeakPolarHBondContact CD2-CG2 3.49Å; H521-T603 PolarHBondContact N-OG1 2.73Å
522	R	97.8	Very high	95.6	Very high	65 Å²	65	16.9 Å²	16.9	25%	0.245	10%	0.095	C	C	.	.			trans	-123.5	-8	174.3	67.8	-168	170.2	145	0.6	113.7	D259 A260 E374 E414	D259-R522 WeakPolarHBondContact CA-O 3.27Å; A260-R522 PolarHBondContact N-O 2.77Å; E374-R522 IonicContact OE1-CZ 3.81Å; E374-R522 IonicContact OE1-NE 3.7Å; E374-R522 PolarHBondContact OE1-NE 2.9Å; E374-R522 IonicContact OE1-NH2 3.86Å; E374-R522 PolarHBondContact OE1-NH2 2.74Å; E414-R522 HydrophobicContact CB-CB 4.16Å
523	V	98.2	Very high	96.6	Very high	30 Å²	30	12.9 Å²	12.9	18%	0.182	8%	0.084	C	C	.	.			trans	-111.3	125.8	-177.4	178.1	0	0	0	0	110.6	A260 G348 E374 S525 Q526	A260-V523 WeakPolarHBondContact CB-O 3.44Å; G348-V523 WeakPolarHBondContact O-CG1 3.32Å; E374-V523 HydrophobicContact CB-CG2 4.34Å; E374-V523 WeakPolarHBondContact OE2-CG2 3.32Å; V523-S525 PolarHBondContact O-N 3.1Å; V523-Q526 HydrophobicContact CB-CB 3.99Å; V523-Q526 HydrophobicContact CG1-CB 4.17Å; V523-Q526 WeakPolarHBondContact O-CB 3.31Å; V523-Q526 PolarHBondContact O-N 3.36Å
524	A	98.1	Very high	97.4	Very high	6 Å²	6	11 Å²	11	5%	0.05	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-34.9	-173.2	0	0	0	0	0	114.4	V257 D259 G348 Q526 Y600	V257-A524 HydrophobicContact CB-CB 3.92Å; V257-A524 WeakPolarHBondContact O-CB 3.45Å; D259-A524 WeakPolarHBondContact O-CB 3.4Å; G348-A524 PolarHBondContact O-N 2.97Å; A524-Q526 VanDerWaalsContact C-N 3.33Å; A524-Y600 HydrophobicContact CB-CD1 4.36Å
525	S	98.3	Very high	97.6	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.007	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-16.5	179.2	67.8	0	0	0	0	113.7	G347 G348 A350 V523 A528 A529	G347-S525 WeakPolarHBondContact O-CB 3.41Å; G347-S525 PolarHBondContact O-OG 3.42Å; G348-S525 VanDerWaalsContact CA-OG 3.27Å; G348-S525 WeakPolarHBondContact CA-OG 3.5Å; G348-S525 WeakPolarHBondContact O-CB 3.39Å; G348-S525 PolarHBondContact O-N 2.74Å; G348-S525 PolarHBondContact O-OG 2.93Å; A350-S525 WeakPolarHBondContact O-CB 3.3Å; V523-S525 PolarHBondContact O-N 3.1Å; S525-A528 PolarHBondContact O-N 3.39Å; S525-A529 WeakPolarHBondContact O-CB 3.2Å; S525-A529 PolarHBondContact O-N 3.44Å
526	Q	98.4	Very high	97.7	Very high	3 Å²	3	12.3 Å²	12.3	1%	0.014	7%	0.072	C	C	.	.	H	α-helix	trans	-63.8	-52.5	-165.3	-173.8	67.1	13	0	0	111.7	T372 E374 V523 A524 A528 A529 L530	T372-Q526 PolarHBondContact OG1-OE1 2.95Å; E374-Q526 PolarHBondContact O-NE2 3.15Å; E374-Q526 VanDerWaalsContact O-NE2 3.17Å; V523-Q526 HydrophobicContact CB-CB 3.99Å; V523-Q526 HydrophobicContact CG1-CB 4.17Å; V523-Q526 WeakPolarHBondContact O-CB 3.31Å; V523-Q526 PolarHBondContact O-N 3.36Å; A524-Q526 VanDerWaalsContact C-N 3.33Å; Q526-A528 VanDerWaalsContact C-N 3.33Å; Q526-A528 PolarHBondContact O-N 3.06Å; Q526-A529 WeakPolarHBondContact O-CB 3.46Å; Q526-A529 PolarHBondContact O-N 3.44Å; Q526-A529 VanDerWaalsContact O-N 3.09Å; Q526-L530 HydrophobicContact CG-CD1 4.26Å; Q526-L530 HydrophobicContact CG-CG 4.46Å; Q526-L530 WeakPolarHBondContact O-CG 3.47Å; Q526-L530 PolarHBondContact O-N 2.76Å
527	V	98.5	Very high	97.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.2	-41.6	-176.7	-178.3	0	0	0	0	111.4	Y389 L390 H521 A529 L530 D531 V601	Y389-V527 HydrophobicContact CE2-CG1 4.32Å; L390-V527 HydrophobicContact CD2-CG1 3.5Å; L390-V527 VanDerWaalsContact CD2-CG1 3.5Å; H521-V527 HydrophobicContact CB-CG2 4.43Å; H521-V527 VanDerWaalsContact CD2-CG2 3.46Å; H521-V527 WeakPolarHBondContact CD2-CG2 3.49Å; V527-A529 VanDerWaalsContact C-N 3.33Å; V527-A529 PolarHBondContact O-N 3.21Å; V527-L530 PolarHBondContact O-N 2.95Å; V527-D531 WeakPolarHBondContact O-CB 3.13Å; V527-D531 PolarHBondContact O-N 3.1Å; V527-V601 HydrophobicContact CB-CB 4.2Å; V527-V601 HydrophobicContact CB-CG1 4.12Å; V527-V601 HydrophobicContact CG1-CB 4.08Å; V527-V601 HydrophobicContact CG1-CG1 3.51Å
528	A	98.5	Very high	97.7	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.008	7%	0.072	C	C	.	.	H	α-helix	trans	-62.8	-39.4	175.3	0	0	0	0	0	112.1	A352 L355 S525 Q526 D531 L532 V601	A352-A528 HydrophobicContact CB-CB 4.26Å; L355-A528 HydrophobicContact CD1-CB 4.25Å; S525-A528 PolarHBondContact O-N 3.39Å; Q526-A528 VanDerWaalsContact C-N 3.33Å; Q526-A528 PolarHBondContact O-N 3.06Å; A528-D531 PolarHBondContact O-N 3.21Å; A528-L532 WeakPolarHBondContact O-CB 3.18Å; A528-L532 VanDerWaalsContact O-CG 3.26Å; A528-L532 WeakPolarHBondContact O-CG 3.03Å; A528-L532 PolarHBondContact O-N 2.87Å; A528-V601 HydrophobicContact CB-CB 4.22Å; A528-V601 HydrophobicContact CB-CG2 3.93Å
529	A	98.5	Very high	97.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.9	-40	176.2	0	0	0	0	0	112.2	L355 T372 S525 Q526 V527 L532 G533 Y534	L355-A529 HydrophobicContact CD1-CB 3.96Å; T372-A529 HydrophobicContact CG2-CB 3.57Å; S525-A529 WeakPolarHBondContact O-CB 3.2Å; S525-A529 PolarHBondContact O-N 3.44Å; Q526-A529 WeakPolarHBondContact O-CB 3.46Å; Q526-A529 PolarHBondContact O-N 3.44Å; Q526-A529 VanDerWaalsContact O-N 3.09Å; V527-A529 VanDerWaalsContact C-N 3.33Å; V527-A529 PolarHBondContact O-N 3.21Å; A529-L532 CarbonylContact O-C 3.56Å; A529-L532 PolarHBondContact O-N 3.05Å; A529-G533 PolarHBondContact O-N 3.27Å; A529-G533 VanDerWaalsContact O-N 3.12Å; A529-Y534 HydrophobicContact CB-CG 4.2Å; A529-Y534 WeakPolarHBondContact O-CB 3.43Å; A529-Y534 PolarHBondContact O-N 2.92Å
530	L	98.3	Very high	97.1	Very high	2 Å²	2	18 Å²	18	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-67.4	-41.1	175	-57.7	178.2	0	0	0	111.6	F376 T383 Y389 Q526 V527 L532 G533 A536	F376-L530 HydrophobicContact CB-CD2 4.49Å; T383-L530 HydrophobicContact CG2-CB 4.14Å; T383-L530 HydrophobicContact CG2-CD2 3.52Å; T383-L530 HydrophobicContact CG2-CG 4.25Å; Y389-L530 HydrophobicContact CD1-CD1 4.31Å; Y389-L530 HydrophobicContact CD2-CB 4.18Å; Y389-L530 HydrophobicContact CD2-CD1 3.8Å; Y389-L530 HydrophobicContact CE1-CB 4.26Å; Y389-L530 HydrophobicContact CE2-CB 3.84Å; Y389-L530 HydrophobicContact CE2-CD1 4.32Å; Y389-L530 HydrophobicContact CG-CD1 3.76Å; Q526-L530 HydrophobicContact CG-CD1 4.26Å; Q526-L530 HydrophobicContact CG-CG 4.46Å; Q526-L530 WeakPolarHBondContact O-CG 3.47Å; Q526-L530 PolarHBondContact O-N 2.76Å; V527-L530 PolarHBondContact O-N 2.95Å; L530-L532 PolarHBondContact O-N 3.24Å; L530-G533 PolarHBondContact O-N 2.91Å; L530-A536 HydrophobicContact CD2-CB 3.82Å
531	D	98.1	Very high	97	Very high	14 Å²	14	18.1 Å²	18.1	8%	0.075	11%	0.105	C	C	.	.	H	α-helix	trans	-62.2	-30.4	174	-79.3	-21.4	0	0	0	111.9	R386 Y389 V527 A528 G533 S654 N656 L657	R386-D531 IonicContact CZ-OD1 3.53Å; R386-D531 IonicContact CZ-OD2 2.78Å; R386-D531 IonicContact NE-OD1 2.73Å; R386-D531 PolarHBondContact NE-OD1 3.42Å; R386-D531 IonicContact NE-OD2 2.76Å; R386-D531 IonicContact NH2-OD1 3.31Å; R386-D531 IonicContact NH2-OD2 3.62Å; R386-D531 PolarHBondContact NH2-OD2 2.93Å; R386-D531 VanDerWaalsContact NH2-OD2 3.09Å; Y389-D531 PolarHBondContact OH-OD1 3.34Å; V527-D531 WeakPolarHBondContact O-CB 3.13Å; V527-D531 PolarHBondContact O-N 3.1Å; A528-D531 PolarHBondContact O-N 3.21Å; D531-G533 VanDerWaalsContact C-N 3.33Å; D531-S654 PolarHBondContact O-OG 2.93Å; D531-N656 VanDerWaalsContact CG-ND2 3.34Å; D531-N656 PolarHBondContact OD2-ND2 2.98Å; D531-L657 HydrophobicContact CB-CD2 4.18Å
532	L	98.2	Very high	96.8	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	1.1	173.4	-69.6	172.2	0	0	0	113.2	A352 L355 V356 K359 A528 A529 L530 Y534 L650 V653 L657	A352-L532 HydrophobicContact CB-CD1 4.48Å; L355-L532 HydrophobicContact CB-CD1 3.49Å; L355-L532 VanDerWaalsContact CB-CD1 3.49Å; L355-L532 HydrophobicContact CD1-CD1 4.28Å; V356-L532 HydrophobicContact CB-CD1 4.29Å; V356-L532 HydrophobicContact CB-CD2 4.23Å; V356-L532 HydrophobicContact CG2-CD2 4.26Å; K359-L532 WeakPolarHBondContact CD-O 3.34Å; K359-L532 PolarHBondContact NZ-O 3.45Å; A528-L532 WeakPolarHBondContact O-CB 3.18Å; A528-L532 VanDerWaalsContact O-CG 3.26Å; A528-L532 WeakPolarHBondContact O-CG 3.03Å; A528-L532 PolarHBondContact O-N 2.87Å; A529-L532 CarbonylContact O-C 3.56Å; A529-L532 PolarHBondContact O-N 3.05Å; L530-L532 PolarHBondContact O-N 3.24Å; L532-Y534 HydrophobicContact CB-CD1 4.18Å; L532-Y534 HydrophobicContact CB-CE1 4.41Å; L532-L650 HydrophobicContact CD1-CD2 4.3Å; L532-L650 HydrophobicContact CD2-CD2 3.91Å; L532-V653 HydrophobicContact CD2-CB 4.16Å; L532-V653 HydrophobicContact CD2-CG1 3.74Å; L532-L657 HydrophobicContact CD1-CD1 4.36Å; L532-L657 HydrophobicContact CD2-CD1 3.6Å; L532-L657 HydrophobicContact CG-CD1 3.82Å
533	G	96.4	Very high	96.5	Very high	45 Å²	45	28.6 Å²	28.6	46%	0.464	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	33.9	176.4	0	0	0	0	0	114.8	A529 L530 D531	A529-G533 PolarHBondContact O-N 3.27Å; A529-G533 VanDerWaalsContact O-N 3.12Å; L530-G533 PolarHBondContact O-N 2.91Å; D531-G533 VanDerWaalsContact C-N 3.33Å
534	Y	97.8	Very high	96.3	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-67.9	151.4	166.3	-84.8	56.3	0	0	0	110.6	A346 L355 K359 L370 T372 A529 L532 A536	A346-Y534 HydrophobicContact CB-CD2 4.33Å; A346-Y534 HydrophobicContact CB-CE2 4.03Å; L355-Y534 WeakPolarHBondContact CA-OH 3.35Å; L355-Y534 HydrophobicContact CB-CE1 4.16Å; L355-Y534 HydrophobicContact CD2-CE1 4.43Å; L355-Y534 HydrophobicContact CD2-CE2 4.07Å; L355-Y534 PolarHBondContact O-OH 3.49Å; K359-Y534 HydrophobicContact CB-CE1 3.92Å; K359-Y534 HydrophobicContact CD-CE1 4.38Å; L370-Y534 HydrophobicContact CB-CD2 3.78Å; L370-Y534 HydrophobicContact CB-CE2 3.82Å; L370-Y534 HydrophobicContact CB-CG 4.2Å; L370-Y534 HydrophobicContact CD2-CE2 3.77Å; L370-Y534 HydrophobicContact CG-CE2 4.39Å; T372-Y534 HydrophobicContact CG2-CD2 4.37Å; A529-Y534 HydrophobicContact CB-CG 4.2Å; A529-Y534 WeakPolarHBondContact O-CB 3.43Å; A529-Y534 PolarHBondContact O-N 2.92Å; L532-Y534 HydrophobicContact CB-CD1 4.18Å; L532-Y534 HydrophobicContact CB-CE1 4.41Å; Y534-A536 PolarHBondContact O-N 3.38Å
535	K	96.2	Very high	96.1	Very high	65 Å²	65	34.5 Å²	34.5	28%	0.283	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-77.8	120.4	171.4	-67.2	169.2	-179.2	156.5	0	108.3	E368 L370 C371 T372 G537 T540	E368-K535 WeakPolarHBondContact O-CE 3.17Å; E368-K535 PolarHBondContact O-NZ 3.44Å; E368-K535 IonicContact OE2-NZ 2.87Å; L370-K535 WeakPolarHBondContact O-CB 3.48Å; L370-K535 PolarHBondContact O-N 3.13Å; C371-K535 CarbonylContact C-O 3.38Å; C371-K535 WeakPolarHBondContact CA-O 3.49Å; T372-K535 PolarHBondContact N-O 3.22Å; K535-G537 PolarHBondContact O-N 3.32Å; K535-T540 HydrophobicContact CD-CG2 4.39Å
536	A	95.4	Very high	96	Very high	11 Å²	11	34.5 Å²	34.5	9%	0.091	18%	0.182	C	C	.	.	S	Bend	trans	-75.3	126.3	-177.3	0	0	0	0	0	111.7	T372 F376 M378 L530 Y534	T372-A536 WeakPolarHBondContact OG1-CA 3.4Å; F376-A536 HydrophobicContact CB-CB 3.41Å; F376-A536 VanDerWaalsContact CB-CB 3.41Å; M378-A536 HydrophobicContact SD-CB 4.12Å; L530-A536 HydrophobicContact CD2-CB 3.82Å; Y534-A536 PolarHBondContact O-N 3.38Å
537	G	95.6	Very high	95.9	Very high	2 Å²	2	39 Å²	39	2%	0.021	20%	0.201	C	C	.	.	S	Bend	trans	84.9	166.2	-177.5	0	0	0	0	0	115	C371 T372 E374 K535	C371-G537 VanDerWaalsContact CB-O 3.3Å; C371-G537 WeakPolarHBondContact CB-O 3.48Å; C371-G537 PolarHBondContact SG-O 2.76Å; T372-G537 CarbonylContact O-C 3.47Å; T372-G537 VanDerWaalsContact O-CA 3.25Å; T372-G537 WeakPolarHBondContact O-CA 3.24Å; T372-G537 PolarHBondContact O-N 3.11Å; T372-G537 PolarHBondContact OG1-N 3.15Å; E374-G537 PolarHBondContact O-N 3.05Å; K535-G537 PolarHBondContact O-N 3.32Å
538	V	95.3	Very high	95.9	Very high	6 Å²	6	39.2 Å²	39.2	4%	0.036	20%	0.203	C	C	.	.	S	Bend	trans	-96.7	4.4	-168.5	-61.1	0	0	0	0	114.8	I345 T540 I541 R542 C558 I559	I345-V538 HydrophobicContact CD1-CG1 3.9Å; I345-V538 HydrophobicContact CG1-CG1 4.22Å; I345-V538 HydrophobicContact CG2-CG1 4.27Å; V538-T540 VanDerWaalsContact C-N 3.25Å; V538-T540 PolarHBondContact O-N 3.13Å; V538-I541 WeakPolarHBondContact O-CB 3Å; V538-I541 PolarHBondContact O-N 3Å; V538-R542 PolarHBondContact O-N 2.89Å; V538-C558 HydrophobicContact CG1-CB 4Å; V538-C558 HydrophobicContact CG2-CB 4.1Å; V538-I559 HydrophobicContact CB-CD1 3.99Å; V538-I559 HydrophobicContact CB-CG1 3.76Å; V538-I559 HydrophobicContact CG1-CG1 3.95Å; V538-I559 HydrophobicContact CG2-CD1 3.93Å; V538-I559 HydrophobicContact CG2-CG1 3.91Å
539	D	93.1	Very high	95.9	Very high	76 Å²	76	39.1 Å²	39.1	41%	0.406	20%	0.202	S	C	.	.	H	α-helix	trans	-61.7	-32.4	-173.9	-74	-19.4	0	0	0	113.4	I541 R542 K543	D539-I541 VanDerWaalsContact C-N 3.28Å; D539-I541 PolarHBondContact O-N 3.34Å; D539-R542 PolarHBondContact O-N 3.01Å; D539-R542 IonicContact OD1-NH1 3.24Å; D539-K543 WeakPolarHBondContact O-CB 3.31Å; D539-K543 VanDerWaalsContact O-CG 3.29Å; D539-K543 WeakPolarHBondContact O-CG 3.42Å; D539-K543 PolarHBondContact O-N 3.06Å
540	T	92.4	Very high	95.9	Very high	47 Å²	47	39.3 Å²	39.3	29%	0.288	20%	0.203	S	C	.	.	H	α-helix	trans	-60.7	-41.7	175.3	-55.6	0	0	0	0	110.9	K535 V538 N544	K535-T540 HydrophobicContact CD-CG2 4.39Å; V538-T540 VanDerWaalsContact C-N 3.25Å; V538-T540 PolarHBondContact O-N 3.13Å; T540-N544 PolarHBondContact O-N 3.48Å; T540-N544 VanDerWaalsContact O-N 3.11Å
541	I	94.8	Very high	95.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-71.2	-40.6	178.4	-65.7	173.4	0	0	0	110.5	A343 I345 C371 V538 D539 K543 N544 P545 P546 L549 I559 L564	A343-I541 HydrophobicContact CB-CD1 3.87Å; A343-I541 HydrophobicContact CB-CG1 3.78Å; I345-I541 HydrophobicContact CD1-CD1 3.88Å; I345-I541 HydrophobicContact CG1-CD1 3.41Å; I345-I541 VanDerWaalsContact CG1-CD1 3.41Å; C371-I541 HydrophobicContact CB-CD1 3.78Å; C371-I541 HydrophobicContact CB-CG1 4.5Å; V538-I541 WeakPolarHBondContact O-CB 3Å; V538-I541 PolarHBondContact O-N 3Å; D539-I541 VanDerWaalsContact C-N 3.28Å; D539-I541 PolarHBondContact O-N 3.34Å; I541-K543 VanDerWaalsContact C-N 3.31Å; I541-K543 PolarHBondContact O-N 2.96Å; I541-N544 CarbonylContact O-C 3.59Å; I541-N544 PolarHBondContact O-N 3.25Å; I541-P545 WeakPolarHBondContact O-CA 3.41Å; I541-P545 VanDerWaalsContact O-N 3.11Å; I541-P546 HydrophobicContact CG2-CG 4.49Å; I541-L549 HydrophobicContact CD1-CD1 4.08Å; I541-L549 HydrophobicContact CG2-CD1 4.49Å; I541-I559 HydrophobicContact CG2-CD1 4.39Å; I541-L564 HydrophobicContact CG2-CD2 4.38Å
542	R	94.4	Very high	95.9	Very high	124 Å²	124	39 Å²	39	47%	0.468	20%	0.201	S	C	.	.	H	α-helix	trans	-62.5	-37.5	176.1	-68.3	-176.4	177.2	165.1	-4	112.7	V538 D539 C558 I559	V538-R542 PolarHBondContact O-N 2.89Å; D539-R542 PolarHBondContact O-N 3.01Å; D539-R542 IonicContact OD1-NH1 3.24Å; R542-C558 PolarHBondContact NH2-O 2.72Å; R542-I559 HydrophobicContact CG-CD1 3.54Å
543	K	93	Very high	95.8	Very high	163 Å²	163	39.7 Å²	39.7	71%	0.709	21%	0.209	S	C	*	.	H	α-helix	trans	-70.7	-42.5	178.9	-73.3	170.2	-175.6	171.9	0	111.9	D539 I541	D539-K543 WeakPolarHBondContact O-CB 3.31Å; D539-K543 VanDerWaalsContact O-CG 3.29Å; D539-K543 WeakPolarHBondContact O-CG 3.42Å; D539-K543 PolarHBondContact O-N 3.06Å; I541-K543 VanDerWaalsContact C-N 3.31Å; I541-K543 PolarHBondContact O-N 2.96Å
544	N	93.1	Very high	95.9	Very high	105 Å²	105	37.9 Å²	37.9	56%	0.561	19%	0.19	S	C	*	.	S	Bend	trans	-128.9	80.7	-177.7	-64.3	-30.6	0	0	0	109.4	T540 I541	T540-N544 PolarHBondContact O-N 3.48Å; T540-N544 VanDerWaalsContact O-N 3.11Å; I541-N544 CarbonylContact O-C 3.59Å; I541-N544 PolarHBondContact O-N 3.25Å
545	P	94.5	Very high	95.8	Very high	56 Å²	56	38.2 Å²	38.2	36%	0.364	19%	0.192	S	C	.	.			trans	-73.1	133.3	-171.2	31.4	-37.1	0	0	0	111.2	I541 L564 P565	I541-P545 WeakPolarHBondContact O-CA 3.41Å; I541-P545 VanDerWaalsContact O-N 3.11Å; P545-L564 HydrophobicContact CB-CD2 4.31Å; P545-P565 HydrophobicContact CB-CG 4.31Å; P545-P565 HydrophobicContact CG-CG 4.25Å
546	P	96.1	Very high	95.6	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.202	C	C	.	.			trans	-80.3	165	-171.3	35.8	-41.6	0	0	0	112.4	E341 A343 I541 V548 L549 C568	E341-P546 VanDerWaalsContact O-CB 3.28Å; E341-P546 WeakPolarHBondContact O-CB 3.36Å; A343-P546 HydrophobicContact CB-CB 3.95Å; A343-P546 HydrophobicContact CB-CG 3.79Å; I541-P546 HydrophobicContact CG2-CG 4.49Å; P546-V548 WeakPolarHBondContact CB-O 3.36Å; P546-L549 HydrophobicContact CG-CB 4.11Å; P546-L549 HydrophobicContact CG-CD1 4.28Å; P546-C568 PolarHBondContact O-SG 3.23Å
547	K	96.3	Very high	95.5	Very high	96 Å²	96	39.3 Å²	39.3	42%	0.417	22%	0.216	S	C	.	.	S	Bend	trans	-80	-30.3	165.6	-69.4	179.5	177.7	166.6	0	112.1	E341 C568 L569	E341-K547 HydrophobicContact CB-CB 4.42Å; E341-K547 HydrophobicContact CB-CD 4.35Å; E341-K547 HydrophobicContact CB-CG 4.46Å; E341-K547 HydrophobicContact CG-CD 4.32Å; E341-K547 PolarHBondContact O-N 3.12Å; E341-K547 VanDerWaalsContact OE1-CE 3.24Å; E341-K547 WeakPolarHBondContact OE1-CE 3.34Å; E341-K547 IonicContact OE1-NZ 3.82Å; E341-K547 PolarHBondContact OE1-NZ 3.49Å; E341-K547 IonicContact OE2-NZ 3.92Å; K547-C568 CarbonylContact O-C 3.52Å; K547-C568 WeakPolarHBondContact O-CA 3.19Å; K547-L569 PolarHBondContact O-N 3.19Å
548	V	97.7	Very high	95.4	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.03	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.8	176.1	-175.2	0	0	0	0	109.3	A333 L334 A337 E341 V342 A343 P546 L569 I571	A333-V548 HydrophobicContact CB-CG2 4.28Å; L334-V548 HydrophobicContact CD2-CG1 3.99Å; A337-V548 HydrophobicContact CB-CG2 4.04Å; E341-V548 PolarHBondContact O-N 2.84Å; V342-V548 WeakPolarHBondContact CA-O 3.22Å; V342-V548 HydrophobicContact CG2-CB 4.4Å; A343-V548 PolarHBondContact N-O 2.88Å; P546-V548 WeakPolarHBondContact CB-O 3.36Å; V548-L569 WeakPolarHBondContact CA-O 3.48Å; V548-I571 HydrophobicContact CG1-CD1 3.75Å
549	L	98.1	Very high	95.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.1	177.3	-179.4	63	0	0	0	110.3	A343 I345 I541 P546 L551 I559 L564 L569 I570 I571	A343-L549 HydrophobicContact CB-CD1 4.3Å; A343-L549 WeakPolarHBondContact O-CA 3.37Å; I345-L549 HydrophobicContact CD1-CD1 4.05Å; I345-L549 HydrophobicContact CD1-CD2 4.35Å; I345-L549 HydrophobicContact CG1-CD1 4.09Å; I541-L549 HydrophobicContact CD1-CD1 4.08Å; I541-L549 HydrophobicContact CG2-CD1 4.49Å; P546-L549 HydrophobicContact CG-CB 4.11Å; P546-L549 HydrophobicContact CG-CD1 4.28Å; L549-L551 HydrophobicContact CD1-CD2 4.4Å; L549-L551 HydrophobicContact CD2-CD2 3.91Å; L549-L551 HydrophobicContact CG-CD2 3.92Å; L549-L551 HydrophobicContact CG-CG 4.44Å; L549-I559 HydrophobicContact CD2-CG2 4.17Å; L549-L564 HydrophobicContact CD2-CD1 3.59Å; L549-L564 HydrophobicContact CD2-CD2 4.16Å; L549-L569 PolarHBondContact N-O 2.9Å; L549-I570 WeakPolarHBondContact O-CA 3.05Å; L549-I571 PolarHBondContact O-N 3.29Å
550	F	98.3	Very high	95.4	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.013	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.1	174.4	-152.6	-79.8	0	0	0	110.6	A343 A344 I345 L358 I571 Q573 L588 I630	A343-F550 PolarHBondContact O-N 3.48Å; A344-F550 CarbonylContact C-O 3.38Å; A344-F550 WeakPolarHBondContact CA-O 3.36Å; A344-F550 HydrophobicContact CB-CB 3.96Å; I345-F550 PolarHBondContact N-O 3.3Å; L358-F550 HydrophobicContact CD1-CB 4.5Å; L358-F550 HydrophobicContact CD1-CD1 3.85Å; L358-F550 HydrophobicContact CD1-CD2 4.45Å; L358-F550 HydrophobicContact CD1-CE1 4.14Å; L358-F550 HydrophobicContact CD1-CG 4.02Å; L358-F550 HydrophobicContact CD2-CD1 3.86Å; L358-F550 HydrophobicContact CD2-CE1 4.35Å; F550-I571 CarbonylContact C-O 3.18Å; F550-I571 HydrophobicContact CD2-CB 3.96Å; F550-I571 HydrophobicContact CD2-CD1 4.02Å; F550-I571 HydrophobicContact CD2-CG2 3.9Å; F550-I571 HydrophobicContact CE2-CB 4.22Å; F550-I571 HydrophobicContact CE2-CD1 4.42Å; F550-I571 HydrophobicContact CE2-CG2 3.62Å; F550-I571 HydrophobicContact CZ-CG2 4.18Å; F550-Q573 HydrophobicContact CE1-CB 3.67Å; F550-Q573 HydrophobicContact CZ-CB 3.92Å; F550-Q573 VanDerWaalsContact CZ-OE1 3.29Å; F550-L588 HydrophobicContact CZ-CD1 4.33Å; F550-I630 HydrophobicContact CE2-CD1 3.88Å; F550-I630 HydrophobicContact CZ-CD1 4.07Å
551	L	98.5	Very high	95.3	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	106.5	176.1	-58.5	-177.8	0	0	0	108.4	I345 L549 G553 A554 I570 I571 Y572 Q573 M583	I345-L551 HydrophobicContact CB-CD2 3.86Å; I345-L551 HydrophobicContact CD1-CD2 3.85Å; I345-L551 HydrophobicContact CG1-CD2 4.2Å; L549-L551 HydrophobicContact CD1-CD2 4.4Å; L549-L551 HydrophobicContact CD2-CD2 3.91Å; L549-L551 HydrophobicContact CG-CD2 3.92Å; L549-L551 HydrophobicContact CG-CG 4.44Å; L551-G553 PolarHBondContact O-N 2.85Å; L551-A554 HydrophobicContact CB-CB 4.19Å; L551-A554 HydrophobicContact CD2-CB 4.23Å; L551-I570 HydrophobicContact CD1-CG2 3.74Å; L551-I570 HydrophobicContact CG-CG2 4.12Å; L551-I571 PolarHBondContact N-O 3.41Å; L551-Y572 HydrophobicContact CB-CD2 3.82Å; L551-Y572 HydrophobicContact CD1-CD2 4.2Å; L551-Q573 PolarHBondContact O-N 3.09Å; L551-M583 HydrophobicContact CD1-CE 4.18Å; L551-M583 HydrophobicContact CD1-SD 4.47Å
552	L	98.4	Very high	95.2	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	84	175.9	-177.9	65.6	0	0	0	109.2	I345 G347 A350 A354 L355 L358 A554 Q573 I627	I345-L552 PolarHBondContact O-N 3.31Å; G347-L552 WeakPolarHBondContact CA-O 3.09Å; G347-L552 PolarHBondContact N-O 3.38Å; A350-L552 HydrophobicContact CB-CD2 3.78Å; A350-L552 HydrophobicContact CB-CG 4.1Å; A354-L552 HydrophobicContact CB-CD1 4.48Å; A354-L552 HydrophobicContact CB-CD2 3.94Å; L355-L552 HydrophobicContact CD2-CD2 4.25Å; L358-L552 HydrophobicContact CD2-CB 3.94Å; L358-L552 HydrophobicContact CD2-CD2 4.09Å; L552-A554 PolarHBondContact O-N 2.82Å; L552-Q573 CarbonylContact C-O 3Å; L552-Q573 WeakPolarHBondContact CA-O 3.12Å; L552-Q573 HydrophobicContact CD1-CB 4.28Å; L552-Q573 HydrophobicContact CD1-CG 4.07Å; L552-I627 HydrophobicContact CD1-CD1 4.41Å
553	G	97.4	Very high	95.2	Very high	17 Å²	17	44 Å²	44	18%	0.175	26%	0.26	C	S	.	.	S	Bend	trans	65.1	24.1	179.2	0	0	0	0	0	113.5	L551 D555 Q573	L551-G553 PolarHBondContact O-N 2.85Å; G553-D555 PolarHBondContact O-N 2.84Å; G553-Q573 PolarHBondContact N-O 3.25Å
554	A	97.6	Very high	95.3	Very high	7 Å²	7	36.9 Å²	36.9	6%	0.058	23%	0.229	C	C	.	.			trans	-79.9	110.4	-177.8	0	0	0	0	0	110.6	I345 E373 L551 L552	I345-A554 HydrophobicContact CB-CB 4.29Å; I345-A554 HydrophobicContact CG2-CB 3.8Å; E373-A554 HydrophobicContact CG-CB 4.1Å; E373-A554 WeakPolarHBondContact OE1-CA 3.19Å; E373-A554 VanDerWaalsContact OE1-CB 3.32Å; E373-A554 WeakPolarHBondContact OE1-CB 3.46Å; L551-A554 HydrophobicContact CB-CB 4.19Å; L551-A554 HydrophobicContact CD2-CB 4.23Å; L552-A554 PolarHBondContact O-N 2.82Å
555	D	96.1	Very high	95.3	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	22%	0.215	C	C	.	.			trans	-132.9	14.7	-175.4	-71.9	-54.1	0	0	0	113.7	E373 G553 G557 Y572 V579 G580 R706	E373-D555 PolarHBondContact OE1-N 3.39Å; G553-D555 PolarHBondContact O-N 2.84Å; D555-G557 VanDerWaalsContact C-N 3.31Å; D555-Y572 PolarHBondContact OD1-OH 3.14Å; D555-Y572 PolarHBondContact OD2-OH 3.27Å; D555-V579 HydrophobicContact CB-CB 4.29Å; D555-V579 WeakPolarHBondContact O-CG2 3.22Å; D555-V579 PolarHBondContact OD1-N 3.48Å; D555-V579 VanDerWaalsContact OD1-N 3.12Å; D555-G580 PolarHBondContact OD1-N 3.11Å; D555-R706 PolarHBondContact O-NH2 3.23Å
556	A	92.6	Very high	95.1	Very high	61 Å²	61	40.8 Å²	40.8	50%	0.504	24%	0.24	S	C	.	.	S	Bend	trans	-82	-9.1	177.2	0	0	0	0	0	113.3	E373 C558	E373-A556 HydrophobicContact CB-CB 4.12Å; E373-A556 HydrophobicContact CG-CB 4.14Å; E373-A556 VanDerWaalsContact OE1-CB 3.29Å; E373-A556 WeakPolarHBondContact OE1-CB 3.44Å; E373-A556 PolarHBondContact OE1-N 3.49Å; A556-C558 VanDerWaalsContact C-N 3.34Å; A556-C558 PolarHBondContact O-N 3.46Å
557	G	92.2	Very high	94.9	Very high	38 Å²	38	46.6 Å²	46.6	39%	0.392	27%	0.271	S	S	.	.			trans	73.3	21.9	178.8	0	0	0	0	0	114.4	D555 I559	D555-G557 VanDerWaalsContact C-N 3.31Å; G557-I559 PolarHBondContact O-N 2.67Å
558	C	93.1	Very high	94.8	Very high	35 Å²	35	42 Å²	42	24%	0.236	25%	0.251	C	S	.	.	S	Bend	trans	-65.7	-25.2	-179.5	-57.5	0	0	0	0	113.6	E373 V538 R542 A556	E373-C558 PolarHBondContact O-SG 3.19Å; V538-C558 HydrophobicContact CG1-CB 4Å; V538-C558 HydrophobicContact CG2-CB 4.1Å; R542-C558 PolarHBondContact NH2-O 2.72Å; A556-C558 VanDerWaalsContact C-N 3.34Å; A556-C558 PolarHBondContact O-N 3.46Å
559	I	94.2	Very high	94.8	Very high	11 Å²	11	43.9 Å²	43.9	6%	0.056	26%	0.26	C	S	.	.	S	Bend	trans	-130.9	138.8	176.7	-71.9	-73.2	0	0	0	108.3	I345 V538 I541 R542 L549 G557 D563 L564	I345-I559 HydrophobicContact CD1-CB 4.02Å; I345-I559 HydrophobicContact CD1-CG1 3.68Å; V538-I559 HydrophobicContact CB-CD1 3.99Å; V538-I559 HydrophobicContact CB-CG1 3.76Å; V538-I559 HydrophobicContact CG1-CG1 3.95Å; V538-I559 HydrophobicContact CG2-CD1 3.93Å; V538-I559 HydrophobicContact CG2-CG1 3.91Å; I541-I559 HydrophobicContact CG2-CD1 4.39Å; R542-I559 HydrophobicContact CG-CD1 3.54Å; L549-I559 HydrophobicContact CD2-CG2 4.17Å; G557-I559 PolarHBondContact O-N 2.67Å; I559-D563 HydrophobicContact CD1-CB 4.2Å; I559-D563 HydrophobicContact CG2-CB 4.43Å; I559-L564 HydrophobicContact CG2-CD1 3.97Å; I559-L564 HydrophobicContact CG2-CD2 4.25Å; I559-L564 HydrophobicContact CG2-CG 4.09Å
560	T	94.1	Very high	94.8	Very high	66 Å²	66	43.9 Å²	43.9	41%	0.405	26%	0.26	S	S	.	.			trans	-120.8	169.2	176.1	69.4	0	0	0	0	110.5	A562 D563	T560-A562 PolarHBondContact O-N 2.75Å; T560-A562 VanDerWaalsContact O-N 3.12Å; T560-A562 PolarHBondContact OG1-N 2.93Å; T560-D563 PolarHBondContact N-OD2 3.29Å; T560-D563 PolarHBondContact O-N 2.62Å; T560-D563 VanDerWaalsContact O-N 3.09Å; T560-D563 PolarHBondContact OG1-OD2 3.26Å
561	R	91.6	Very high	94.8	Very high	87 Å²	87	43.7 Å²	43.7	33%	0.328	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-61.1	-20.4	174.8	-164	67.1	176.6	-144.3	8	112.9	D563 L564 K566 C568 D585	R561-D563 VanDerWaalsContact C-N 3.31Å; R561-L564 PolarHBondContact O-N 3.21Å; R561-K566 PolarHBondContact NH2-O 2.86Å; R561-K566 VanDerWaalsContact NH2-O 3.08Å; R561-C568 VanDerWaalsContact CZ-O 3.26Å; R561-C568 PolarHBondContact NH1-O 3.11Å; R561-C568 PolarHBondContact NH2-O 3.33Å; R561-D585 IonicContact CZ-OD2 2.73Å; R561-D585 IonicContact NH1-OD1 2.85Å; R561-D585 PolarHBondContact NH1-OD1 3Å; R561-D585 IonicContact NH1-OD2 3.23Å; R561-D585 PolarHBondContact NH1-OD2 2.75Å; R561-D585 IonicContact NH2-OD2 3.54Å
562	A	92.6	Very high	94.8	Very high	93 Å²	93	43.4 Å²	43.4	77%	0.769	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-72.9	-24.4	177.5	0	0	0	0	0	112.9	T560 L564	T560-A562 PolarHBondContact O-N 2.75Å; T560-A562 VanDerWaalsContact O-N 3.12Å; T560-A562 PolarHBondContact OG1-N 2.93Å; A562-L564 VanDerWaalsContact C-N 3.25Å; A562-L564 PolarHBondContact O-N 3.34Å
563	D	93.4	Very high	94.8	Very high	63 Å²	63	43.2 Å²	43.2	34%	0.337	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-82.4	-5.4	179	-54.3	-59.9	0	0	0	112.5	I559 T560 R561	I559-D563 HydrophobicContact CD1-CB 4.2Å; I559-D563 HydrophobicContact CG2-CB 4.43Å; T560-D563 PolarHBondContact N-OD2 3.29Å; T560-D563 PolarHBondContact O-N 2.62Å; T560-D563 VanDerWaalsContact O-N 3.09Å; T560-D563 PolarHBondContact OG1-OD2 3.26Å; R561-D563 VanDerWaalsContact C-N 3.31Å
564	L	94.8	Very high	94.8	Very high	14 Å²	14	42.5 Å²	42.5	7%	0.073	25%	0.25	C	C	.	.	S	Bend	trans	-120.6	152.6	-169.1	-59.6	171.5	0	0	0	111.7	I541 P545 L549 I559 R561 A562 C568 I570	I541-L564 HydrophobicContact CG2-CD2 4.38Å; P545-L564 HydrophobicContact CB-CD2 4.31Å; L549-L564 HydrophobicContact CD2-CD1 3.59Å; L549-L564 HydrophobicContact CD2-CD2 4.16Å; I559-L564 HydrophobicContact CG2-CD1 3.97Å; I559-L564 HydrophobicContact CG2-CD2 4.25Å; I559-L564 HydrophobicContact CG2-CG 4.09Å; R561-L564 PolarHBondContact O-N 3.21Å; A562-L564 VanDerWaalsContact C-N 3.25Å; A562-L564 PolarHBondContact O-N 3.34Å; L564-C568 HydrophobicContact CB-CB 3.99Å; L564-I570 HydrophobicContact CD1-CD1 3.64Å; L564-I570 HydrophobicContact CD1-CG1 4.21Å
565	P	93.9	Very high	94.9	Very high	41 Å²	41	42.8 Å²	42.8	27%	0.266	25%	0.25	S	C	.	.			trans	-52.9	147.6	168.5	-26.1	30.7	0	0	0	111.7	P545 D567 C568	P545-P565 HydrophobicContact CB-CG 4.31Å; P545-P565 HydrophobicContact CG-CG 4.25Å; P565-D567 WeakPolarHBondContact CB-OD1 3.36Å; P565-D567 PolarHBondContact O-N 3.03Å; P565-C568 HydrophobicContact CB-CB 4.36Å; P565-C568 WeakPolarHBondContact O-CB 3.25Å; P565-C568 PolarHBondContact O-N 3.17Å
566	K	90.4	Very high	95	Very high	202 Å²	202	42.5 Å²	42.5	88%	0.878	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-36.1	-179	-70.8	-174.4	177.8	-179.6	0	112.2	R561 C568	R561-K566 PolarHBondContact NH2-O 2.86Å; R561-K566 VanDerWaalsContact NH2-O 3.08Å; K566-C568 VanDerWaalsContact C-N 3.34Å
567	D	91	Very high	95	Very high	122 Å²	122	41 Å²	41	65%	0.652	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	4.2	179.2	61.5	-34.7	0	0	0	113.9	P565 L569	P565-D567 WeakPolarHBondContact CB-OD1 3.36Å; P565-D567 PolarHBondContact O-N 3.03Å; D567-L569 PolarHBondContact O-N 3.2Å
568	C	95.9	Very high	95.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	23%	0.231	C	C	.	.			trans	-62	122.9	174.4	-173.8	0	0	0	0	110.4	P546 K547 R561 L564 P565 K566	P546-C568 PolarHBondContact O-SG 3.23Å; K547-C568 CarbonylContact O-C 3.52Å; K547-C568 WeakPolarHBondContact O-CA 3.19Å; R561-C568 VanDerWaalsContact CZ-O 3.26Å; R561-C568 PolarHBondContact NH1-O 3.11Å; R561-C568 PolarHBondContact NH2-O 3.33Å; L564-C568 HydrophobicContact CB-CB 3.99Å; P565-C568 HydrophobicContact CB-CB 4.36Å; P565-C568 WeakPolarHBondContact O-CB 3.25Å; P565-C568 PolarHBondContact O-N 3.17Å; K566-C568 VanDerWaalsContact C-N 3.34Å
569	L	97.1	Very high	95.2	Very high	43 Å²	43	42.4 Å²	42.4	23%	0.225	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	119.5	172.9	-175.7	77.8	0	0	0	109.5	A333 K547 V548 L549 D567 I571 D585 I586	A333-L569 HydrophobicContact CB-CD2 3.26Å; K547-L569 PolarHBondContact O-N 3.19Å; V548-L569 WeakPolarHBondContact CA-O 3.48Å; L549-L569 PolarHBondContact N-O 2.9Å; D567-L569 PolarHBondContact O-N 3.2Å; L569-I571 HydrophobicContact CD2-CD1 4.46Å; L569-I571 HydrophobicContact CD2-CG1 4.38Å; L569-D585 HydrophobicContact CD1-CB 3.64Å; L569-I586 HydrophobicContact CD1-CD1 4.48Å; L569-I586 HydrophobicContact CD2-CD1 4.33Å
570	I	97.8	Very high	95.2	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.2	-179.6	-54.5	-179.4	0	0	0	109.6	L549 L551 L564 M583 A584 D585 I586	L549-I570 WeakPolarHBondContact O-CA 3.05Å; L551-I570 HydrophobicContact CD1-CG2 3.74Å; L551-I570 HydrophobicContact CG-CG2 4.12Å; L564-I570 HydrophobicContact CD1-CD1 3.64Å; L564-I570 HydrophobicContact CD1-CG1 4.21Å; I570-M583 HydrophobicContact CD1-CE 3.55Å; I570-M583 HydrophobicContact CG2-CE 4.36Å; I570-A584 HydrophobicContact CG2-CB 4.31Å; I570-D585 PolarHBondContact N-OD2 2.77Å; I570-D585 PolarHBondContact O-N 3.2Å; I570-I586 PolarHBondContact O-N 2.62Å; I570-I586 VanDerWaalsContact O-N 3.14Å
571	I	98.4	Very high	95.3	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.1	176.4	-56.6	158.3	0	0	0	107.2	V330 V548 L549 F550 L551 L569 I586 L588	V330-I571 HydrophobicContact CB-CD1 4.27Å; V330-I571 HydrophobicContact CG1-CD1 3.65Å; V330-I571 HydrophobicContact CG2-CD1 3.95Å; V330-I571 HydrophobicContact CG2-CG1 4.06Å; V330-I571 HydrophobicContact CG2-CG2 4.06Å; V548-I571 HydrophobicContact CG1-CD1 3.75Å; L549-I571 PolarHBondContact O-N 3.29Å; F550-I571 CarbonylContact C-O 3.18Å; F550-I571 HydrophobicContact CD2-CB 3.96Å; F550-I571 HydrophobicContact CD2-CD1 4.02Å; F550-I571 HydrophobicContact CD2-CG2 3.9Å; F550-I571 HydrophobicContact CE2-CB 4.22Å; F550-I571 HydrophobicContact CE2-CD1 4.42Å; F550-I571 HydrophobicContact CE2-CG2 3.62Å; F550-I571 HydrophobicContact CZ-CG2 4.18Å; L551-I571 PolarHBondContact N-O 3.41Å; L569-I571 HydrophobicContact CD2-CD1 4.46Å; L569-I571 HydrophobicContact CD2-CG1 4.38Å; I571-I586 CarbonylContact C-O 3.59Å; I571-I586 WeakPolarHBondContact CA-O 3.42Å; I571-I586 HydrophobicContact CG1-CB 4.49Å; I571-L588 HydrophobicContact CG2-CD1 3.82Å; I571-L588 HydrophobicContact CG2-CG 4.2Å
572	Y	98.6	Very high	95.4	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.4	174.9	178.3	-88	0	0	0	109.9	L306 L551 D555 H576 G580 A581 A584 I586 I587 L588	L306-Y572 HydrophobicContact CD1-CD1 3.98Å; L306-Y572 HydrophobicContact CD1-CE1 3.54Å; L551-Y572 HydrophobicContact CB-CD2 3.82Å; L551-Y572 HydrophobicContact CD1-CD2 4.2Å; D555-Y572 PolarHBondContact OD1-OH 3.14Å; D555-Y572 PolarHBondContact OD2-OH 3.27Å; Y572-H576 PolarHBondContact OH-O 3.09Å; Y572-H576 VanDerWaalsContact OH-O 3.08Å; Y572-G580 VanDerWaalsContact CD2-C 3.45Å; Y572-A581 HydrophobicContact CD1-CB 3.84Å; Y572-A581 HydrophobicContact CE1-CB 3.87Å; Y572-A581 HydrophobicContact CG-CB 4.31Å; Y572-A584 VanDerWaalsContact CB-CB 3.47Å; Y572-I586 PolarHBondContact N-O 3.38Å; Y572-I587 HydrophobicContact CD1-CG2 4.47Å; Y572-I587 CarbonylContact O-C 3.45Å; Y572-I587 VanDerWaalsContact O-CA 3.32Å; Y572-I587 WeakPolarHBondContact O-CA 3.35Å; Y572-L588 PolarHBondContact O-N 3.31Å
573	Q	98.6	Very high	95.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.5	168.9	179.4	-177.5	-27.6	0	0	108.9	F550 L551 L552 G553 L588 D623 I626	F550-Q573 HydrophobicContact CE1-CB 3.67Å; F550-Q573 HydrophobicContact CZ-CB 3.92Å; F550-Q573 VanDerWaalsContact CZ-OE1 3.29Å; L551-Q573 PolarHBondContact O-N 3.09Å; L552-Q573 CarbonylContact C-O 3Å; L552-Q573 WeakPolarHBondContact CA-O 3.12Å; L552-Q573 HydrophobicContact CD1-CB 4.28Å; L552-Q573 HydrophobicContact CD1-CG 4.07Å; G553-Q573 PolarHBondContact N-O 3.25Å; Q573-L588 VanDerWaalsContact CA-O 3.3Å; Q573-L588 WeakPolarHBondContact CA-O 3.13Å; Q573-L588 HydrophobicContact CB-CB 4.16Å; Q573-L588 HydrophobicContact CG-CB 4.25Å; Q573-D623 VanDerWaalsContact NE2-CB 3.29Å; Q573-D623 PolarHBondContact NE2-O 2.76Å; Q573-D623 PolarHBondContact NE2-OD1 2.83Å; Q573-I626 HydrophobicContact CG-CD1 4.18Å
574	G	97.9	Very high	95.7	Very high	2 Å²	2	33 Å²	33	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-179.5	-179.7	0	0	0	0	0	111.9	L306 L588 G590	L306-G574 WeakPolarHBondContact CD1-O 3.43Å; G574-L588 PolarHBondContact N-O 3.16Å; G574-G590 PolarHBondContact O-N 2.69Å
575	H	98.1	Very high	95.8	Very high	13 Å²	13	33.3 Å²	33.3	6%	0.06	18%	0.184	C	C	.	.	S	Bend	trans	-109.1	-17.5	-173	55.1	67	0	0	0	114.2	R305 L306 G590 A592 S703	R305-H575 WeakPolarHBondContact CA-O 3.46Å; R305-H575 WeakPolarHBondContact CD-O 3.28Å; R305-H575 PolarHBondContact NE-O 3.08Å; L306-H575 PolarHBondContact N-O 2.63Å; H575-G590 WeakPolarHBondContact CB-O 3.25Å; H575-A592 HydrophobicContact CB-CB 4.46Å; H575-S703 PolarHBondContact CE1-OG 3.01Å
576	H	98.3	Very high	96	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-120.5	146.5	176.4	-77.3	111.6	0	0	0	110.9	G300 R303 Q304 R305 L306 Y572	G300-H576 PolarHBondContact O-NE2 2.79Å; R303-H576 PolarHBondContact O-CD2 2.78Å; R303-H576 PolarHBondContact O-NE2 3.49Å; Q304-H576 WeakPolarHBondContact O-CA 3.42Å; R305-H576 WeakPolarHBondContact CD-NE2 3.44Å; L306-H576 WeakPolarHBondContact CD1-O 3.46Å; Y572-H576 PolarHBondContact OH-O 3.09Å; Y572-H576 VanDerWaalsContact OH-O 3.08Å
577	G	93.4	Very high	96.4	Very high	28 Å²	28	22.1 Å²	22.1	29%	0.289	13%	0.132	S	C	.	.			trans	-93.3	89.8	171.3	0	0	0	0	0	111.2	Q304	Q304-G577 PolarHBondContact O-N 2.64Å
578	D	93.4	Very high	96.8	Very high	44 Å²	44	16.3 Å²	16.3	24%	0.235	10%	0.101	C	C	.	.	S	Bend	trans	-122.6	-95.1	-176.5	-175.4	22.3	0	0	0	112.9	P582 R706	D578-P582 WeakPolarHBondContact O-CD 3.4Å; D578-P582 WeakPolarHBondContact O-CG 3.37Å; D578-R706 IonicContact OD2-CZ 2.78Å; D578-R706 IonicContact OD2-NE 3.56Å; D578-R706 PolarHBondContact OD2-NE 3.15Å; D578-R706 IonicContact OD2-NH2 2.64Å; D578-R706 PolarHBondContact OD2-NH2 2.83Å
579	V	95.3	Very high	96.9	Very high	60 Å²	60	16.3 Å²	16.3	36%	0.364	10%	0.1	S	C	.	.	S	Bend	trans	-96.9	-48.1	-173.7	177.7	0	0	0	0	111.6	D555 P582	D555-V579 HydrophobicContact CB-CB 4.29Å; D555-V579 WeakPolarHBondContact O-CG2 3.22Å; D555-V579 PolarHBondContact OD1-N 3.48Å; D555-V579 VanDerWaalsContact OD1-N 3.12Å; V579-P582 WeakPolarHBondContact O-CD 3.36Å
580	G	94.8	Very high	97	Very high	2 Å²	2	14.2 Å²	14.2	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-76.3	-32.2	-177.5	0	0	0	0	0	113.2	D555 Y572 M583 A584	D555-G580 PolarHBondContact OD1-N 3.11Å; Y572-G580 VanDerWaalsContact CD2-C 3.45Å; G580-M583 WeakPolarHBondContact O-CG 3.27Å; G580-A584 PolarHBondContact O-N 2.82Å
581	A	95.6	Very high	97	Very high	4 Å²	4	14.2 Å²	14.2	3%	0.033	9%	0.09	C	C	.	.	H	α-helix	trans	-65.6	-45.6	-177	0	0	0	0	0	113.9	L306 Y572 M583 A584 I587	L306-A581 HydrophobicContact CD1-CB 4.49Å; Y572-A581 HydrophobicContact CD1-CB 3.84Å; Y572-A581 HydrophobicContact CE1-CB 3.87Å; Y572-A581 HydrophobicContact CG-CB 4.31Å; A581-M583 VanDerWaalsContact C-N 3.28Å; A581-M583 PolarHBondContact O-N 3.24Å; A581-A584 VanDerWaalsContact O-CB 3.32Å; A581-A584 WeakPolarHBondContact O-CB 3.17Å; A581-A584 PolarHBondContact O-N 3.04Å; A581-A584 VanDerWaalsContact O-N 3.15Å; A581-I587 HydrophobicContact CB-CD1 4.05Å
582	P	95	Very high	97	Very high	85 Å²	85	14.2 Å²	14.2	55%	0.552	9%	0.09	S	C	*	.	H	α-helix	trans	-64.5	-27.2	-179.2	-24.4	35.9	0	0	0	114.6	D578 V579	D578-P582 WeakPolarHBondContact O-CD 3.4Å; D578-P582 WeakPolarHBondContact O-CG 3.37Å; V579-P582 WeakPolarHBondContact O-CD 3.36Å
583	M	94.2	Very high	97	Very high	32 Å²	32	14.5 Å²	14.5	16%	0.158	9%	0.091	C	C	.	.	H	α-helix	trans	-81.8	-18.5	177	58.8	-178.2	-85.2	0	0	113.2	K312 L551 I570 G580 A581	K312-M583 PolarHBondContact NZ-O 3.23Å; L551-M583 HydrophobicContact CD1-CE 4.18Å; L551-M583 HydrophobicContact CD1-SD 4.47Å; I570-M583 HydrophobicContact CD1-CE 3.55Å; I570-M583 HydrophobicContact CG2-CE 4.36Å; G580-M583 WeakPolarHBondContact O-CG 3.27Å; A581-M583 VanDerWaalsContact C-N 3.28Å; A581-M583 PolarHBondContact O-N 3.24Å
584	A	96.8	Very high	97	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.091	C	C	.	.			trans	-66.6	147.1	-175.8	0	0	0	0	0	112.9	K312 I570 Y572 G580 A581 I587	K312-A584 WeakPolarHBondContact CE-O 3.44Å; K312-A584 PolarHBondContact NZ-O 3.1Å; I570-A584 HydrophobicContact CG2-CB 4.31Å; Y572-A584 VanDerWaalsContact CB-CB 3.47Å; G580-A584 PolarHBondContact O-N 2.82Å; A581-A584 VanDerWaalsContact O-CB 3.32Å; A581-A584 WeakPolarHBondContact O-CB 3.17Å; A581-A584 PolarHBondContact O-N 3.04Å; A581-A584 VanDerWaalsContact O-N 3.15Å; A584-I587 HydrophobicContact CB-CG1 3.99Å
585	D	97.5	Very high	97	Very high	19 Å²	19	14.8 Å²	14.8	10%	0.102	9%	0.092	C	C	.	.	S	Bend	trans	-90.6	-29.6	171.5	-58.1	-53	0	0	0	111.3	K312 R561 L569 I570	K312-D585 HydrophobicContact CD-CB 4.47Å; K312-D585 WeakPolarHBondContact CD-OD1 3.41Å; K312-D585 PolarHBondContact N-O 2.8Å; K312-D585 IonicContact NZ-OD1 2.82Å; K312-D585 PolarHBondContact NZ-OD1 2.51Å; R561-D585 IonicContact CZ-OD2 2.73Å; R561-D585 IonicContact NH1-OD1 2.85Å; R561-D585 PolarHBondContact NH1-OD1 3Å; R561-D585 IonicContact NH1-OD2 3.23Å; R561-D585 PolarHBondContact NH1-OD2 2.75Å; R561-D585 IonicContact NH2-OD2 3.54Å; L569-D585 HydrophobicContact CD1-CB 3.64Å; I570-D585 PolarHBondContact N-OD2 2.77Å; I570-D585 PolarHBondContact O-N 3.2Å
586	I	98.3	Very high	97	Very high	5 Å²	5	14.5 Å²	14.5	3%	0.026	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.7	174.2	-55.2	177.9	0	0	0	108.6	M310 V311 A326 R329 V330 L569 I570 I571 Y572 L588	M310-I586 CarbonylContact O-C 3.47Å; M310-I586 WeakPolarHBondContact O-CA 3.33Å; V311-I586 HydrophobicContact CG1-CG1 4.44Å; V311-I586 HydrophobicContact CG2-CG1 4.25Å; V311-I586 HydrophobicContact CG2-CG2 4.11Å; A326-I586 HydrophobicContact CB-CG2 4.45Å; R329-I586 HydrophobicContact CB-CD1 3.82Å; V330-I586 HydrophobicContact CG2-CB 4.39Å; V330-I586 HydrophobicContact CG2-CD1 3.69Å; V330-I586 HydrophobicContact CG2-CG2 3.88Å; L569-I586 HydrophobicContact CD1-CD1 4.48Å; L569-I586 HydrophobicContact CD2-CD1 4.33Å; I570-I586 PolarHBondContact O-N 2.62Å; I570-I586 VanDerWaalsContact O-N 3.14Å; I571-I586 CarbonylContact C-O 3.59Å; I571-I586 WeakPolarHBondContact CA-O 3.42Å; I571-I586 HydrophobicContact CG1-CB 4.49Å; Y572-I586 PolarHBondContact N-O 3.38Å; I586-L588 HydrophobicContact CG2-CD2 3.97Å; I586-L588 HydrophobicContact CG2-CG 4.41Å
587	I	98.6	Very high	96.9	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.021	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130	174.9	-65.1	176.7	0	0	0	109.5	L306 P309 M310 L318 Y572 A581 A584	L306-I587 HydrophobicContact CD1-CG2 3.66Å; L306-I587 HydrophobicContact CD2-CG2 4.09Å; L306-I587 HydrophobicContact CG-CG2 4.34Å; P309-I587 WeakPolarHBondContact CA-O 3.48Å; M310-I587 HydrophobicContact CB-CB 4.17Å; M310-I587 PolarHBondContact N-O 3.19Å; M310-I587 PolarHBondContact O-N 2.87Å; L318-I587 HydrophobicContact CD1-CD1 3.54Å; L318-I587 HydrophobicContact CD1-CG1 4.43Å; L318-I587 HydrophobicContact CD2-CD1 4.08Å; L318-I587 HydrophobicContact CD2-CG1 4.2Å; L318-I587 HydrophobicContact CG-CD1 4.39Å; Y572-I587 HydrophobicContact CD1-CG2 4.47Å; Y572-I587 CarbonylContact O-C 3.45Å; Y572-I587 VanDerWaalsContact O-CA 3.32Å; Y572-I587 WeakPolarHBondContact O-CA 3.35Å; A581-I587 HydrophobicContact CB-CD1 4.05Å; A584-I587 HydrophobicContact CB-CG1 3.99Å
588	L	98.7	Very high	97.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	111.6	175.7	-54.1	179.1	0	0	0	108.9	W323 A326 V330 F550 I571 Y572 Q573 G574 I586 G590 I626 I630	W323-L588 HydrophobicContact CH2-CB 4.3Å; W323-L588 HydrophobicContact CZ3-CB 4.18Å; W323-L588 HydrophobicContact CZ3-CD2 3.98Å; A326-L588 HydrophobicContact CB-CD2 4.01Å; V330-L588 HydrophobicContact CG2-CD1 4.45Å; F550-L588 HydrophobicContact CZ-CD1 4.33Å; I571-L588 HydrophobicContact CG2-CD1 3.82Å; I571-L588 HydrophobicContact CG2-CG 4.2Å; Y572-L588 PolarHBondContact O-N 3.31Å; Q573-L588 VanDerWaalsContact CA-O 3.3Å; Q573-L588 WeakPolarHBondContact CA-O 3.13Å; Q573-L588 HydrophobicContact CB-CB 4.16Å; Q573-L588 HydrophobicContact CG-CB 4.25Å; G574-L588 PolarHBondContact N-O 3.16Å; I586-L588 HydrophobicContact CG2-CD2 3.97Å; I586-L588 HydrophobicContact CG2-CG 4.41Å; L588-G590 PolarHBondContact O-N 3.33Å; L588-I626 HydrophobicContact CB-CG2 4.18Å; L588-I626 HydrophobicContact CD1-CG2 3.79Å; L588-I630 HydrophobicContact CD1-CD1 3.72Å
589	P	98.4	Very high	97.4	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	112.4	-176.1	29.5	-36.5	0	0	0	111.5	L306 P309 W323 A620 R621 I626	L306-P589 HydrophobicContact CB-CB 3.94Å; L306-P589 VanDerWaalsContact O-CB 3.25Å; L306-P589 WeakPolarHBondContact O-CB 3.44Å; P309-P589 HydrophobicContact CG-CG 4.23Å; W323-P589 HydrophobicContact CH2-CG 4.06Å; W323-P589 HydrophobicContact CZ2-CG 3.68Å; P589-A620 HydrophobicContact CB-CB 4.06Å; P589-A620 VanDerWaalsContact O-CA 3.3Å; P589-A620 WeakPolarHBondContact O-CA 3.38Å; P589-R621 PolarHBondContact O-N 2.55Å; P589-R621 VanDerWaalsContact O-N 3.17Å; P589-I626 WeakPolarHBondContact O-CD1 3.34Å
590	G	98.3	Very high	97.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-91.7	171	175.7	0	0	0	0	0	113.9	G574 H575 L588 R621 D623	G574-G590 PolarHBondContact O-N 2.69Å; H575-G590 WeakPolarHBondContact CB-O 3.25Å; L588-G590 PolarHBondContact O-N 3.33Å; G590-R621 CarbonylContact C-O 3.55Å; G590-R621 WeakPolarHBondContact CA-O 3.47Å; G590-D623 VanDerWaalsContact CA-OD1 3.27Å; G590-D623 WeakPolarHBondContact CA-OD1 3.45Å
591	A	98.3	Very high	97.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	P	Polyproline II helix	trans	-86.6	142.8	178.1	0	0	0	0	0	111.8	E595 K596 P616 R621	A591-E595 HydrophobicContact CB-CB 4.05Å; A591-K596 HydrophobicContact CB-CB 4.19Å; A591-K596 HydrophobicContact CB-CD 4.22Å; A591-K596 HydrophobicContact CB-CG 4.48Å; A591-P616 HydrophobicContact CB-CB 4.36Å; A591-P616 HydrophobicContact CB-CG 3.76Å; A591-R621 PolarHBondContact N-O 3.19Å
592	A	98.3	Very high	97.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.064	C	C	.	.	P	Polyproline II helix	trans	-76.5	168.5	169.3	0	0	0	0	0	111.6	L301 H575 T594 E595	L301-A592 HydrophobicContact CD2-CB 3.54Å; H575-A592 HydrophobicContact CB-CB 4.46Å; A592-T594 VanDerWaalsContact C-N 3.26Å; A592-T594 PolarHBondContact O-N 2.94Å; A592-E595 HydrophobicContact CB-CG 4.43Å; A592-E595 PolarHBondContact N-OE2 3.2Å; A592-E595 WeakPolarHBondContact O-CA 3.47Å; A592-E595 WeakPolarHBondContact O-CB 3.43Å; A592-E595 PolarHBondContact O-N 3.42Å
593	Y	98.3	Very high	98	Very high	6 Å²	6	7.5 Å²	7.5	2%	0.024	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	-60.9	-29.3	-174.9	79.6	-84.3	0	0	0	114.5	I255 V257 I265 L301 E595 T610 I704	I255-Y593 WeakPolarHBondContact O-CD2 3.13Å; V257-Y593 HydrophobicContact CG1-CD2 4.36Å; V257-Y593 HydrophobicContact CG1-CG 4.32Å; V257-Y593 HydrophobicContact CG2-CD1 3.67Å; V257-Y593 HydrophobicContact CG2-CD2 4.09Å; V257-Y593 HydrophobicContact CG2-CE1 4.38Å; V257-Y593 HydrophobicContact CG2-CG 3.5Å; V257-Y593 VanDerWaalsContact CG2-CG 3.5Å; I265-Y593 HydrophobicContact CD1-CE2 3.97Å; L301-Y593 HydrophobicContact CD1-CE1 4.15Å; L301-Y593 HydrophobicContact CD2-CD1 4.43Å; L301-Y593 HydrophobicContact CD2-CE1 4.23Å; Y593-E595 PolarHBondContact O-N 2.57Å; Y593-T610 HydrophobicContact CD2-CG2 4.41Å; Y593-T610 WeakPolarHBondContact O-CB 3.45Å; Y593-T610 PolarHBondContact O-OG1 3.49Å; Y593-I704 HydrophobicContact CD1-CD1 3.68Å; Y593-I704 HydrophobicContact CE1-CD1 3.82Å
594	T	98.4	Very high	98.2	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.006	3%	0.031	C	C	.	.	G	3₁₀ helix	trans	-78.6	-6.6	175.3	57.5	0	0	0	0	113.6	V267 L301 A592 A613 V614	V267-T594 HydrophobicContact CG1-CG2 4.34Å; V267-T594 HydrophobicContact CG2-CG2 4.21Å; L301-T594 HydrophobicContact CD1-CG2 3.82Å; A592-T594 VanDerWaalsContact C-N 3.26Å; A592-T594 PolarHBondContact O-N 2.94Å; T594-A613 PolarHBondContact O-N 3.18Å; T594-V614 PolarHBondContact O-N 2.68Å
595	E	98.4	Very high	98.2	Very high	7 Å²	7	6.1 Å²	6.1	3%	0.033	3%	0.031	C	C	.	.	G	3₁₀ helix	trans	-112.6	5.8	-170.2	-64.7	166.1	178.7	0	0	113.6	R305 A591 A592 Y593 L612 V614 P616 P617	R305-E595 IonicContact CZ-OE1 3.46Å; R305-E595 IonicContact CZ-OE2 3.14Å; R305-E595 IonicContact NH1-OE1 3.24Å; R305-E595 PolarHBondContact NH1-OE1 3.26Å; R305-E595 IonicContact NH1-OE2 2.79Å; R305-E595 IonicContact NH2-OE1 3.86Å; R305-E595 PolarHBondContact NH2-OE1 3.44Å; R305-E595 IonicContact NH2-OE2 2.63Å; R305-E595 PolarHBondContact NH2-OE2 3.32Å; A591-E595 HydrophobicContact CB-CB 4.05Å; A592-E595 HydrophobicContact CB-CG 4.43Å; A592-E595 PolarHBondContact N-OE2 3.2Å; A592-E595 WeakPolarHBondContact O-CA 3.47Å; A592-E595 WeakPolarHBondContact O-CB 3.43Å; A592-E595 PolarHBondContact O-N 3.42Å; Y593-E595 PolarHBondContact O-N 2.57Å; E595-L612 WeakPolarHBondContact O-CD1 3.35Å; E595-V614 VanDerWaalsContact CA-O 3.24Å; E595-V614 WeakPolarHBondContact CA-O 3.47Å; E595-V614 HydrophobicContact CG-CG2 3.73Å; E595-P616 HydrophobicContact CB-CG 3.94Å; E595-P616 WeakPolarHBondContact OE2-CA 3.26Å; E595-P617 WeakPolarHBondContact OE1-CD 3.23Å
596	K	97.7	Very high	98.3	Very high	6 Å²	6	5.6 Å²	5.6	3%	0.026	3%	0.028	C	C	.	.	S	Bend	trans	-145.5	158.6	-179	61.2	-175	173.2	175.7	0	111.1	D351 A591 G598 Y600 T610 D623	D351-K596 IonicContact OD1-NZ 2.74Å; D351-K596 PolarHBondContact OD1-NZ 2.95Å; D351-K596 IonicContact OD2-NZ 3.64Å; A591-K596 HydrophobicContact CB-CB 4.19Å; A591-K596 HydrophobicContact CB-CD 4.22Å; A591-K596 HydrophobicContact CB-CG 4.48Å; K596-G598 PolarHBondContact O-N 2.97Å; K596-Y600 WeakPolarHBondContact CE-OH 3.36Å; K596-T610 PolarHBondContact O-OG1 3.46Å; K596-D623 IonicContact NZ-OD2 2.69Å; K596-D623 PolarHBondContact NZ-OD2 3.49Å
597	N	97.9	Very high	98.2	Very high	63 Å²	63	5.4 Å²	5.4	34%	0.337	3%	0.027	S	C	.	.			trans	-94.6	80.8	168.1	-65.3	-43.1	0	0	0	108.4	T610 K611 L612 L643 R647	N597-T610 WeakPolarHBondContact CA-O 3.48Å; N597-K611 VanDerWaalsContact OD1-CA 3.27Å; N597-K611 WeakPolarHBondContact OD1-CA 3.46Å; N597-L612 PolarHBondContact OD1-N 2.52Å; N597-L643 HydrophobicContact CB-CD2 3.83Å; N597-R647 PolarHBondContact O-NH2 2.89Å
598	G	97.6	Very high	98.2	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.028	C	C	.	.			trans	-105.7	143.5	-177.7	0	0	0	0	0	111.5	K596 H609 T610	K596-G598 PolarHBondContact O-N 2.97Å; G598-H609 CarbonylContact O-C 3.42Å; G598-H609 WeakPolarHBondContact O-CA 3.32Å; G598-T610 PolarHBondContact N-OG1 2.78Å; G598-T610 PolarHBondContact O-N 3.27Å; G598-T610 PolarHBondContact O-OG1 2.99Å
599	T	98.6	Very high	98.1	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.4	173.9	-62	0	0	0	0	109.6	A352 E353 Q608 L657 Y660	A352-T599 HydrophobicContact CB-CG2 4.14Å; A352-T599 WeakPolarHBondContact CB-O 3.43Å; A352-T599 PolarHBondContact N-O 3.41Å; E353-T599 WeakPolarHBondContact OE1-CB 3.44Å; E353-T599 PolarHBondContact OE1-N 2.77Å; E353-T599 PolarHBondContact OE1-OG1 2.95Å; E353-T599 WeakPolarHBondContact OE2-CB 3.18Å; E353-T599 PolarHBondContact OE2-N 3.32Å; T599-Q608 CarbonylContact C-O 3.52Å; T599-Q608 WeakPolarHBondContact CA-O 3.43Å; T599-L657 VanDerWaalsContact CG2-O 3.24Å; T599-L657 WeakPolarHBondContact CG2-O 3.34Å; T599-Y660 HydrophobicContact CG2-CE1 3.94Å; T599-Y660 PolarHBondContact OG1-OH 2.66Å
600	Y	98.6	Very high	98.1	Very high	8 Å²	8	8.3 Å²	8.3	3%	0.031	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151.5	175.5	-69.3	-89.1	0	0	0	109.6	V257 M349 D351 A524 K596 Q608 T610	V257-Y600 HydrophobicContact CB-CE1 4.27Å; V257-Y600 HydrophobicContact CG1-CD1 3.83Å; V257-Y600 HydrophobicContact CG1-CD2 3.88Å; V257-Y600 HydrophobicContact CG1-CE1 3.66Å; V257-Y600 HydrophobicContact CG1-CE2 3.71Å; V257-Y600 HydrophobicContact CG1-CG 3.93Å; M349-Y600 WeakPolarHBondContact O-CE1 3.33Å; M349-Y600 PolarHBondContact O-OH 3.46Å; D351-Y600 HydrophobicContact CB-CE1 4.35Å; D351-Y600 HydrophobicContact CB-CE2 3.98Å; A524-Y600 HydrophobicContact CB-CD1 4.36Å; K596-Y600 WeakPolarHBondContact CE-OH 3.36Å; Y600-Q608 PolarHBondContact N-O 3.49Å; Y600-Q608 PolarHBondContact O-N 3Å; Y600-Q608 VanDerWaalsContact O-O 3.06Å; Y600-T610 HydrophobicContact CD2-CG2 3.86Å; Y600-T610 HydrophobicContact CE2-CG2 3.74Å
601	V	98.5	Very high	98	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.012	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.1	177.4	-173.5	0	0	0	0	108.3	V527 A528 R606 L657	V527-V601 HydrophobicContact CB-CB 4.2Å; V527-V601 HydrophobicContact CB-CG1 4.12Å; V527-V601 HydrophobicContact CG1-CB 4.08Å; V527-V601 HydrophobicContact CG1-CG1 3.51Å; A528-V601 HydrophobicContact CB-CB 4.22Å; A528-V601 HydrophobicContact CB-CG2 3.93Å; V601-R606 WeakPolarHBondContact CA-O 3.5Å; V601-L657 HydrophobicContact CG2-CD2 3.3Å
602	N	98.3	Very high	98	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.021	8%	0.079	C	C	.	.			trans	-79.3	176	-179.8	73.9	0.7	0	0	0	112.1	A260 V261 E604 G605 R606	A260-N602 CarbonylContact O-C 3.58Å; A260-N602 WeakPolarHBondContact O-CA 3.31Å; A260-N602 WeakPolarHBondContact O-CB 3.19Å; V261-N602 VanDerWaalsContact O-CB 3.25Å; V261-N602 WeakPolarHBondContact O-CB 3.44Å; V261-N602 PolarHBondContact O-ND2 2.79Å; N602-E604 WeakPolarHBondContact ND2-CG 3.44Å; N602-E604 PolarHBondContact O-N 3.13Å; N602-E604 WeakPolarHBondContact OD1-CG 3.13Å; N602-E604 PolarHBondContact OD1-N 2.62Å; N602-G605 PolarHBondContact O-N 2.78Å; N602-G605 PolarHBondContact OD1-N 3.19Å; N602-R606 PolarHBondContact N-O 3.18Å; N602-R606 VanDerWaalsContact N-O 3.1Å; N602-R606 WeakPolarHBondContact OD1-CA 3.22Å; N602-R606 VanDerWaalsContact OD1-CB 3.28Å; N602-R606 WeakPolarHBondContact OD1-CB 3.48Å; N602-R606 PolarHBondContact OD1-N 2.98Å; N602-R606 PolarHBondContact OD1-O 3.3Å
603	T	98.4	Very high	97.9	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-26	-176.6	-166.8	0	0	0	0	114.2	A260 L391 V519 L520 H521 G605	A260-T603 PolarHBondContact O-N 3.36Å; L391-T603 HydrophobicContact CB-CG2 4.12Å; L391-T603 WeakPolarHBondContact CB-O 3.11Å; L391-T603 HydrophobicContact CD2-CG2 3.83Å; L391-T603 PolarHBondContact N-O 2.89Å; V519-T603 PolarHBondContact O-OG1 3.24Å; L520-T603 HydrophobicContact CD1-CG2 4.14Å; H521-T603 PolarHBondContact N-OG1 2.73Å; T603-G605 VanDerWaalsContact C-N 3.29Å
604	E	97.8	Very high	97.9	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.009	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.8	175.5	62.5	171.8	-155.5	0	0	113.1	L391 R394 I395 N602 R606 V663	L391-E604 HydrophobicContact CB-CB 4.24Å; R394-E604 WeakPolarHBondContact CA-OE2 3.48Å; R394-E604 WeakPolarHBondContact CB-OE2 3.44Å; I395-E604 PolarHBondContact N-OE2 2.94Å; N602-E604 WeakPolarHBondContact ND2-CG 3.44Å; N602-E604 PolarHBondContact O-N 3.13Å; N602-E604 WeakPolarHBondContact OD1-CG 3.13Å; N602-E604 PolarHBondContact OD1-N 2.62Å; E604-R606 HydrophobicContact CG-CB 4.2Å; E604-R606 IonicContact OE1-CZ 3.53Å; E604-R606 IonicContact OE1-NE 3.52Å; E604-R606 PolarHBondContact OE1-NE 3.21Å; E604-R606 IonicContact OE1-NH2 3.7Å; E604-R606 PolarHBondContact OE1-NH2 3.08Å; E604-V663 HydrophobicContact CG-CG2 4.3Å; E604-V663 WeakPolarHBondContact O-CG1 3.41Å; E604-V663 WeakPolarHBondContact OE1-CG2 3.1Å
605	G	97.8	Very high	97.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.			trans	86.4	13.6	178.2	0	0	0	0	0	114.1	R386 N602 T603	R386-G605 PolarHBondContact NH2-O 3.18Å; N602-G605 PolarHBondContact O-N 2.78Å; N602-G605 PolarHBondContact OD1-N 3.19Å; T603-G605 VanDerWaalsContact C-N 3.29Å
606	R	98.3	Very high	97.7	Very high	9 Å²	9	23.2 Å²	23.2	3%	0.034	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-76.7	125.5	173.9	-166.8	-179.5	-66.6	-106.5	-6.1	110	D284 V601 N602 E604 Q608 D661 V663	D284-R606 IonicContact OD2-CZ 3.14Å; D284-R606 IonicContact OD2-NH1 2.66Å; D284-R606 IonicContact OD2-NH2 2.76Å; D284-R606 PolarHBondContact OD2-NH2 3.43Å; V601-R606 WeakPolarHBondContact CA-O 3.5Å; N602-R606 PolarHBondContact N-O 3.18Å; N602-R606 VanDerWaalsContact N-O 3.1Å; N602-R606 WeakPolarHBondContact OD1-CA 3.22Å; N602-R606 VanDerWaalsContact OD1-CB 3.28Å; N602-R606 WeakPolarHBondContact OD1-CB 3.48Å; N602-R606 PolarHBondContact OD1-N 2.98Å; N602-R606 PolarHBondContact OD1-O 3.3Å; E604-R606 HydrophobicContact CG-CB 4.2Å; E604-R606 IonicContact OE1-CZ 3.53Å; E604-R606 IonicContact OE1-NE 3.52Å; E604-R606 PolarHBondContact OE1-NE 3.21Å; E604-R606 IonicContact OE1-NH2 3.7Å; E604-R606 PolarHBondContact OE1-NH2 3.08Å; R606-Q608 HydrophobicContact CG-CG 4.31Å; R606-D661 IonicContact CZ-OD1 2.93Å; R606-D661 PolarHBondContact NH1-O 3.38Å; R606-D661 IonicContact NH1-OD1 2.69Å; R606-D661 PolarHBondContact NH1-OD1 3.13Å; R606-V663 HydrophobicContact CB-CG2 3.8Å; R606-V663 HydrophobicContact CG-CG2 4.11Å
607	S	97.5	Very high	97.7	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	132	173.2	-59	0	0	0	0	110.3	N656 L657 Y660 D661	S607-N656 WeakPolarHBondContact CB-O 3.35Å; S607-N656 PolarHBondContact OG-O 3.3Å; S607-L657 WeakPolarHBondContact OG-CA 3.44Å; S607-Y660 WeakPolarHBondContact O-CA 3.25Å; S607-D661 PolarHBondContact O-N 3.31Å
608	Q	97.9	Very high	97.6	Very high	9 Å²	9	24.9 Å²	24.9	4%	0.042	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	165.3	176.4	-58.4	179.5	-39.5	0	0	109.3	I255 G262 N264 T599 Y600 R606	I255-Q608 HydrophobicContact CD1-CB 3.86Å; I255-Q608 HydrophobicContact CD1-CG 4.35Å; I255-Q608 HydrophobicContact CG1-CB 3.84Å; I255-Q608 HydrophobicContact CG2-CB 4.36Å; G262-Q608 PolarHBondContact O-OE1 2.89Å; N264-Q608 PolarHBondContact OD1-NE2 3.47Å; T599-Q608 CarbonylContact C-O 3.52Å; T599-Q608 WeakPolarHBondContact CA-O 3.43Å; Y600-Q608 PolarHBondContact N-O 3.49Å; Y600-Q608 PolarHBondContact O-N 3Å; Y600-Q608 VanDerWaalsContact O-O 3.06Å; R606-Q608 HydrophobicContact CG-CG 4.31Å
609	H	96.4	Very high	97.6	Very high	56 Å²	56	27.7 Å²	27.7	26%	0.259	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140.4	174.4	59.9	-106.4	0	0	0	112.1	I255 G598 Y660	I255-H609 WeakPolarHBondContact CG1-O 3.24Å; G598-H609 CarbonylContact O-C 3.42Å; G598-H609 WeakPolarHBondContact O-CA 3.32Å; H609-Y660 HydrophobicContact CB-CD1 4.25Å; H609-Y660 HydrophobicContact CB-CE1 3.81Å; H609-Y660 AromaticContact CE1-CD2 3.89Å; H609-Y660 AromaticContact CE1-CG 3.95Å; H609-Y660 AromaticContact CG-CE1 4Å; H609-Y660 AromaticContact ND1-CD1 3.3Å; H609-Y660 VanDerWaalsContact ND1-CD1 3.3Å; H609-Y660 WeakPolarHBondContact ND1-CD1 3.19Å; H609-Y660 AromaticContact ND1-CD2 3.5Å; H609-Y660 WeakPolarHBondContact ND1-CD2 3.06Å; H609-Y660 AromaticContact ND1-CE1 3.39Å; H609-Y660 WeakPolarHBondContact ND1-CE1 3.45Å; H609-Y660 AromaticContact ND1-CE2 3.58Å; H609-Y660 AromaticContact ND1-CG 3.35Å; H609-Y660 AromaticContact ND1-CZ 3.54Å
610	T	98.3	Very high	97.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.165	C	C	.	.			trans	-70.4	158.9	169.1	62	0	0	0	0	110.1	S254 I255 Y593 K596 N597 G598 Y600	S254-T610 VanDerWaalsContact OG-CA 3.31Å; S254-T610 WeakPolarHBondContact OG-CA 3.42Å; S254-T610 WeakPolarHBondContact OG-CB 3.37Å; I255-T610 HydrophobicContact CB-CG2 4.37Å; Y593-T610 HydrophobicContact CD2-CG2 4.41Å; Y593-T610 WeakPolarHBondContact O-CB 3.45Å; Y593-T610 PolarHBondContact O-OG1 3.49Å; K596-T610 PolarHBondContact O-OG1 3.46Å; N597-T610 WeakPolarHBondContact CA-O 3.48Å; G598-T610 PolarHBondContact N-OG1 2.78Å; G598-T610 PolarHBondContact O-N 3.27Å; G598-T610 PolarHBondContact O-OG1 2.99Å; Y600-T610 HydrophobicContact CD2-CG2 3.86Å; Y600-T610 HydrophobicContact CE2-CG2 3.74Å
611	K	97.3	Very high	97.5	Very high	89 Å²	89	33 Å²	33	39%	0.387	18%	0.184	S	C	.	.			trans	-118.3	144.6	169.3	-62.4	-172.4	-175.7	168.5	0	110.8	T252 E253 S254 N597 A613	T252-K611 HydrophobicContact CG2-CB 3.75Å; E253-K611 WeakPolarHBondContact O-CB 3.22Å; E253-K611 WeakPolarHBondContact O-CD 3.46Å; E253-K611 WeakPolarHBondContact O-CG 3.19Å; S254-K611 PolarHBondContact OG-N 2.93Å; S254-K611 VanDerWaalsContact OG-N 3.15Å; N597-K611 VanDerWaalsContact OD1-CA 3.27Å; N597-K611 WeakPolarHBondContact OD1-CA 3.46Å; K611-A613 PolarHBondContact O-N 2.76Å
612	L	97.1	Very high	97.5	Very high	82 Å²	82	34.4 Å²	34.4	43%	0.429	19%	0.192	S	C	.	.			trans	-60.3	106.1	175.9	-177.7	68.7	0	0	0	111	E595 N597 V614	E595-L612 WeakPolarHBondContact O-CD1 3.35Å; N597-L612 PolarHBondContact OD1-N 2.52Å; L612-V614 WeakPolarHBondContact CD1-O 3.39Å
613	A	97.4	Very high	97.5	Very high	15 Å²	15	34.6 Å²	34.6	12%	0.124	19%	0.193	C	C	.	.			trans	-98.4	-38.4	179.4	0	0	0	0	0	112.6	T252 V267 T269 T594 K611	T252-A613 HydrophobicContact CG2-CB 3.96Å; V267-A613 HydrophobicContact CB-CB 3.99Å; V267-A613 HydrophobicContact CG1-CB 3.83Å; T269-A613 HydrophobicContact CG2-CB 4.04Å; T594-A613 PolarHBondContact O-N 3.18Å; K611-A613 PolarHBondContact O-N 2.76Å
614	V	97.3	Very high	97.5	Very high	13 Å²	13	35 Å²	35	8%	0.079	19%	0.194	C	C	.	.	S	Bend	trans	-138.1	157.7	173.9	-61.6	0	0	0	0	109.2	T269 G272 V274 T594 E595 L612	T269-V614 HydrophobicContact CG2-CG1 3.63Å; G272-V614 WeakPolarHBondContact O-CB 3.12Å; G272-V614 VanDerWaalsContact O-CG1 3.26Å; G272-V614 WeakPolarHBondContact O-CG1 3.44Å; V274-V614 HydrophobicContact CG2-CG1 4Å; V274-V614 HydrophobicContact CG2-CG2 4.06Å; T594-V614 PolarHBondContact O-N 2.68Å; E595-V614 VanDerWaalsContact CA-O 3.24Å; E595-V614 WeakPolarHBondContact CA-O 3.47Å; E595-V614 HydrophobicContact CG-CG2 3.73Å; L612-V614 WeakPolarHBondContact CD1-O 3.39Å
615	T	96.3	Very high	97.5	Very high	105 Å²	105	39.5 Å²	39.5	64%	0.644	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-83.8	150	177.4	52	0	0	0	0	111.3
616	P	97.2	Very high	97.6	Very high	23 Å²	23	39.7 Å²	39.7	15%	0.149	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-54.2	142.1	175	-21.6	29	0	0	0	112.9	A591 E595 A620	A591-P616 HydrophobicContact CB-CB 4.36Å; A591-P616 HydrophobicContact CB-CG 3.76Å; E595-P616 HydrophobicContact CB-CG 3.94Å; E595-P616 WeakPolarHBondContact OE2-CA 3.26Å; P616-A620 HydrophobicContact CB-CB 3.61Å
617	P	96.4	Very high	97.6	Very high	39 Å²	39	39.3 Å²	39.3	25%	0.253	21%	0.213	S	C	.	.	S	Bend	trans	-75.8	142.6	-177.4	31.2	-35.8	0	0	0	112.2	R305 T307 E595 M619 A620	R305-P617 HydrophobicContact CB-CG 4.26Å; T307-P617 HydrophobicContact CG2-CB 4.12Å; T307-P617 HydrophobicContact CG2-CG 4.22Å; E595-P617 WeakPolarHBondContact OE1-CD 3.23Å; P617-M619 PolarHBondContact O-N 2.78Å; P617-A620 WeakPolarHBondContact O-CB 3.24Å; P617-A620 PolarHBondContact O-N 2.82Å
618	G	96	Very high	97.6	Very high	64 Å²	64	40.4 Å²	40.4	66%	0.66	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	-123.3	176	0	0	0	0	0	112.9
619	M	97.7	Very high	97.7	Very high	60 Å²	60	41.7 Å²	41.7	30%	0.296	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	5.8	179.9	-61.7	-165.3	-83.1	0	0	113.4	T307 Q308 W323 P617 R621	T307-M619 WeakPolarHBondContact O-CA 3.31Å; T307-M619 WeakPolarHBondContact O-CB 3.27Å; T307-M619 PolarHBondContact O-N 3.33Å; Q308-M619 HydrophobicContact CB-CE 3.58Å; Q308-M619 HydrophobicContact CG-CE 3.45Å; Q308-M619 VanDerWaalsContact CG-CE 3.45Å; W323-M619 VanDerWaalsContact CZ2-O 3.31Å; W323-M619 WeakPolarHBondContact CZ2-O 3.43Å; W323-M619 PolarHBondContact NE1-O 2.8Å; P617-M619 PolarHBondContact O-N 2.78Å; M619-R621 PolarHBondContact O-NH1 3.14Å
620	A	98	Very high	97.7	Very high	2 Å²	2	39 Å²	39	2%	0.017	22%	0.217	C	C	.	.			trans	-59.2	150.5	177.2	0	0	0	0	0	112.2	P589 P616 P617	P589-A620 HydrophobicContact CB-CB 4.06Å; P589-A620 VanDerWaalsContact O-CA 3.3Å; P589-A620 WeakPolarHBondContact O-CA 3.38Å; P616-A620 HydrophobicContact CB-CB 3.61Å; P617-A620 WeakPolarHBondContact O-CB 3.24Å; P617-A620 PolarHBondContact O-N 2.82Å
621	R	98.3	Very high	97.7	Very high	118 Å²	118	39 Å²	39	45%	0.445	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-138.9	160.1	-177.1	-64.7	-64.9	179.8	-94.3	1.5	111.2	W323 P589 G590 A591 M619 I626	W323-R621 HydrophobicContact CZ2-CB 4.27Å; W323-R621 HydrophobicContact CZ2-CG 3.87Å; P589-R621 PolarHBondContact O-N 2.55Å; P589-R621 VanDerWaalsContact O-N 3.17Å; G590-R621 CarbonylContact C-O 3.55Å; G590-R621 WeakPolarHBondContact CA-O 3.47Å; A591-R621 PolarHBondContact N-O 3.19Å; M619-R621 PolarHBondContact O-NH1 3.14Å; R621-I626 HydrophobicContact CB-CD1 4.14Å; R621-I626 HydrophobicContact CB-CG1 3.88Å
622	D	97.6	Very high	97.7	Very high	31 Å²	31	39.9 Å²	39.9	17%	0.166	22%	0.222	C	C	.	.			trans	-55.9	141.3	172.8	-51.5	1.5	0	0	0	110.6	W624 K625 I626	D622-W624 PolarHBondContact O-N 2.91Å; D622-K625 HydrophobicContact CB-CB 4.43Å; D622-K625 HydrophobicContact CB-CD 3.96Å; D622-K625 HydrophobicContact CB-CG 4.11Å; D622-K625 WeakPolarHBondContact O-CB 3.34Å; D622-K625 PolarHBondContact O-N 3.3Å; D622-K625 VanDerWaalsContact O-N 3.14Å; D622-K625 WeakPolarHBondContact OD2-CE 2.9Å; D622-K625 IonicContact OD2-NZ 3.83Å; D622-K625 PolarHBondContact OD2-NZ 3.11Å; D622-I626 PolarHBondContact O-N 3.14Å
623	D	98.4	Very high	97.7	Very high	8 Å²	8	40 Å²	40	4%	0.043	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-44	-166.8	-71.7	-49.4	0	0	0	113.8	A354 Q573 G590 K596 K625 I626 I627	A354-D623 HydrophobicContact CB-CB 3.62Å; Q573-D623 VanDerWaalsContact NE2-CB 3.29Å; Q573-D623 PolarHBondContact NE2-O 2.76Å; Q573-D623 PolarHBondContact NE2-OD1 2.83Å; G590-D623 VanDerWaalsContact CA-OD1 3.27Å; G590-D623 WeakPolarHBondContact CA-OD1 3.45Å; K596-D623 IonicContact NZ-OD2 2.69Å; K596-D623 PolarHBondContact NZ-OD2 3.49Å; D623-K625 VanDerWaalsContact C-N 3.27Å; D623-K625 PolarHBondContact O-N 2.96Å; D623-I626 PolarHBondContact O-N 3.12Å; D623-I627 WeakPolarHBondContact O-CG1 3.36Å; D623-I627 PolarHBondContact O-N 3.22Å
624	W	98.4	Very high	97.6	Very high	10 Å²	10	39.6 Å²	39.6	4%	0.038	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-30.2	177.8	73.6	-94	0	0	0	112.6	E353 D622 I627 R628 Y640 L643 V646	E353-W624 HydrophobicContact CB-CB 4.28Å; E353-W624 HydrophobicContact CB-CG 4.41Å; D622-W624 PolarHBondContact O-N 2.91Å; W624-I627 PolarHBondContact O-N 2.93Å; W624-R628 HydrophobicContact CE3-CB 4.27Å; W624-R628 HydrophobicContact CZ3-CB 4.46Å; W624-R628 VanDerWaalsContact O-CB 3.27Å; W624-R628 WeakPolarHBondContact O-CB 3.44Å; W624-R628 PolarHBondContact O-N 3.22Å; W624-Y640 HydrophobicContact CE3-CE2 4.48Å; W624-L643 HydrophobicContact CZ2-CB 4.04Å; W624-V646 HydrophobicContact CD2-CG2 3.98Å; W624-V646 HydrophobicContact CE3-CG2 3.58Å; W624-V646 HydrophobicContact CH2-CG2 4.38Å; W624-V646 HydrophobicContact CZ3-CG2 3.8Å
625	K	98.6	Very high	97.5	Very high	95 Å²	95	41.9 Å²	41.9	41%	0.413	25%	0.246	S	C	.	.	H	α-helix	trans	-67.5	-39.5	178.1	-69.7	179	179.5	151.6	0	111.2	D622 D623 I627 R628 A629	D622-K625 HydrophobicContact CB-CB 4.43Å; D622-K625 HydrophobicContact CB-CD 3.96Å; D622-K625 HydrophobicContact CB-CG 4.11Å; D622-K625 WeakPolarHBondContact O-CB 3.34Å; D622-K625 PolarHBondContact O-N 3.3Å; D622-K625 VanDerWaalsContact O-N 3.14Å; D622-K625 WeakPolarHBondContact OD2-CE 2.9Å; D622-K625 IonicContact OD2-NZ 3.83Å; D622-K625 PolarHBondContact OD2-NZ 3.11Å; D623-K625 VanDerWaalsContact C-N 3.27Å; D623-K625 PolarHBondContact O-N 2.96Å; K625-I627 VanDerWaalsContact C-N 3.35Å; K625-R628 PolarHBondContact O-N 2.71Å; K625-A629 WeakPolarHBondContact O-CB 3.31Å; K625-A629 PolarHBondContact O-N 3.34Å
626	I	98.6	Very high	97.5	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-49.4	175.5	-62	165.9	0	0	0	109.2	W323 L327 Q573 L588 P589 R621 D622 D623 R628 A629 I630	W323-I626 HydrophobicContact CH2-CD1 3.63Å; W323-I626 HydrophobicContact CH2-CG1 3.65Å; W323-I626 HydrophobicContact CH2-CG2 4.23Å; W323-I626 HydrophobicContact CZ2-CD1 4.43Å; W323-I626 HydrophobicContact CZ2-CG1 4.47Å; W323-I626 HydrophobicContact CZ3-CD1 4.39Å; W323-I626 HydrophobicContact CZ3-CG1 4.06Å; W323-I626 HydrophobicContact CZ3-CG2 3.91Å; L327-I626 HydrophobicContact CD2-CG2 4.44Å; Q573-I626 HydrophobicContact CG-CD1 4.18Å; L588-I626 HydrophobicContact CB-CG2 4.18Å; L588-I626 HydrophobicContact CD1-CG2 3.79Å; P589-I626 WeakPolarHBondContact O-CD1 3.34Å; R621-I626 HydrophobicContact CB-CD1 4.14Å; R621-I626 HydrophobicContact CB-CG1 3.88Å; D622-I626 PolarHBondContact O-N 3.14Å; D623-I626 PolarHBondContact O-N 3.12Å; I626-R628 PolarHBondContact O-N 3.06Å; I626-A629 PolarHBondContact O-N 2.97Å; I626-I630 HydrophobicContact CG2-CD1 4.07Å; I626-I630 VanDerWaalsContact O-CG1 3.31Å; I626-I630 WeakPolarHBondContact O-CG1 3.43Å; I626-I630 PolarHBondContact O-N 3.24Å
627	I	98.6	Very high	97.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-43.6	-179.8	-60.9	159.9	0	0	0	111.4	A354 S357 L358 L361 L552 D623 W624 K625 A629 I630 S631	A354-I627 HydrophobicContact CB-CD1 4.14Å; A354-I627 WeakPolarHBondContact O-CD1 3.37Å; S357-I627 WeakPolarHBondContact O-CG2 3.42Å; L358-I627 HydrophobicContact CB-CD1 4.02Å; L361-I627 HydrophobicContact CB-CG2 4.18Å; L361-I627 HydrophobicContact CD2-CG2 3.92Å; L552-I627 HydrophobicContact CD1-CD1 4.41Å; D623-I627 WeakPolarHBondContact O-CG1 3.36Å; D623-I627 PolarHBondContact O-N 3.22Å; W624-I627 PolarHBondContact O-N 2.93Å; K625-I627 VanDerWaalsContact C-N 3.35Å; I627-A629 VanDerWaalsContact C-N 3.34Å; I627-A629 PolarHBondContact O-N 3.35Å; I627-I630 WeakPolarHBondContact O-CB 3.12Å; I627-I630 PolarHBondContact O-N 2.86Å; I627-S631 PolarHBondContact O-N 3.36Å
628	R	98.5	Very high	97.6	Very high	25 Å²	25	38.4 Å²	38.4	9%	0.094	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-39.6	176.2	173.5	57.2	-172	69.7	4.1	111.9	W624 K625 I626 S631 E632 T637 L638 Y640 D641	W624-R628 HydrophobicContact CE3-CB 4.27Å; W624-R628 HydrophobicContact CZ3-CB 4.46Å; W624-R628 VanDerWaalsContact O-CB 3.27Å; W624-R628 WeakPolarHBondContact O-CB 3.44Å; W624-R628 PolarHBondContact O-N 3.22Å; K625-R628 PolarHBondContact O-N 2.71Å; I626-R628 PolarHBondContact O-N 3.06Å; R628-S631 PolarHBondContact O-N 3.22Å; R628-S631 PolarHBondContact O-OG 3.41Å; R628-E632 IonicContact CZ-OE2 3.15Å; R628-E632 IonicContact NH1-OE2 3.17Å; R628-E632 PolarHBondContact NH1-OE2 3.07Å; R628-E632 IonicContact NH2-OE2 3.84Å; R628-E632 PolarHBondContact O-N 3.11Å; R628-T637 VanDerWaalsContact CZ-CG2 3.46Å; R628-T637 VanDerWaalsContact NH2-CG2 3.34Å; R628-L638 PolarHBondContact NE-O 3.05Å; R628-Y640 HydrophobicContact CB-CE2 4.46Å; R628-Y640 WeakPolarHBondContact CD-O 3.27Å; R628-Y640 PolarHBondContact NE-O 3.37Å; R628-D641 IonicContact CZ-OD1 2.71Å; R628-D641 IonicContact NE-OD1 2.61Å; R628-D641 PolarHBondContact NE-OD1 3.11Å; R628-D641 IonicContact NH2-OD1 3.65Å; R628-D641 PolarHBondContact NH2-OD1 2.85Å
629	A	98.4	Very high	97.7	Very high	35 Å²	35	39.9 Å²	39.9	29%	0.289	22%	0.221	S	C	.	.	H	α-helix	trans	-67.3	-40.5	175.2	0	0	0	0	0	112.2	L327 K625 I626 I627 S631 E632 L633	L327-A629 HydrophobicContact CD1-CB 4.21Å; K625-A629 WeakPolarHBondContact O-CB 3.31Å; K625-A629 PolarHBondContact O-N 3.34Å; I626-A629 PolarHBondContact O-N 2.97Å; I627-A629 VanDerWaalsContact C-N 3.34Å; I627-A629 PolarHBondContact O-N 3.35Å; A629-S631 VanDerWaalsContact C-N 3.31Å; A629-S631 PolarHBondContact O-N 3.33Å; A629-E632 PolarHBondContact O-N 2.74Å; A629-L633 PolarHBondContact O-N 2.96Å
630	I	98	Very high	97.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.8	-45.9	172.8	-67.9	165.6	0	0	0	110.4	L327 V330 L334 L361 F550 L588 I626 I627 E632 L633 A634	L327-I630 HydrophobicContact CD2-CD1 4.23Å; L327-I630 HydrophobicContact CD2-CG1 3.49Å; L327-I630 VanDerWaalsContact CD2-CG1 3.49Å; V330-I630 HydrophobicContact CG1-CD1 3.96Å; V330-I630 HydrophobicContact CG1-CG1 4.1Å; V330-I630 HydrophobicContact CG1-CG2 3.76Å; L334-I630 HydrophobicContact CD1-CG2 3.42Å; L334-I630 VanDerWaalsContact CD1-CG2 3.42Å; L361-I630 HydrophobicContact CD2-CG2 4.02Å; F550-I630 HydrophobicContact CE2-CD1 3.88Å; F550-I630 HydrophobicContact CZ-CD1 4.07Å; L588-I630 HydrophobicContact CD1-CD1 3.72Å; I626-I630 HydrophobicContact CG2-CD1 4.07Å; I626-I630 VanDerWaalsContact O-CG1 3.31Å; I626-I630 WeakPolarHBondContact O-CG1 3.43Å; I626-I630 PolarHBondContact O-N 3.24Å; I627-I630 WeakPolarHBondContact O-CB 3.12Å; I627-I630 PolarHBondContact O-N 2.86Å; I630-E632 PolarHBondContact O-N 3.3Å; I630-L633 PolarHBondContact O-N 3.34Å; I630-A634 VanDerWaalsContact O-CB 3.25Å; I630-A634 WeakPolarHBondContact O-CB 3.44Å; I630-A634 PolarHBondContact O-N 3.3Å
631	S	97.9	Very high	97.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-35.9	-178.2	79.1	0	0	0	0	113.2	I627 R628 A629 G635 V636 T637 L638	I627-S631 PolarHBondContact O-N 3.36Å; R628-S631 PolarHBondContact O-N 3.22Å; R628-S631 PolarHBondContact O-OG 3.41Å; A629-S631 VanDerWaalsContact C-N 3.31Å; A629-S631 PolarHBondContact O-N 3.33Å; S631-G635 PolarHBondContact O-N 2.99Å; S631-V636 CarbonylContact O-C 3.6Å; S631-V636 PolarHBondContact O-N 3.23Å; S631-T637 PolarHBondContact O-N 3.42Å; S631-L638 WeakPolarHBondContact OG-CG 3.18Å; S631-L638 PolarHBondContact OG-N 2.81Å
632	E	97.8	Very high	97.6	Very high	107 Å²	107	38.8 Å²	38.8	50%	0.5	23%	0.228	S	C	.	.	H	α-helix	trans	-69.6	-48	-179.9	-168.5	171.5	157.3	0	0	111.5	R628 A629 I630 A634 G635 T637	R628-E632 IonicContact CZ-OE2 3.15Å; R628-E632 IonicContact NH1-OE2 3.17Å; R628-E632 PolarHBondContact NH1-OE2 3.07Å; R628-E632 IonicContact NH2-OE2 3.84Å; R628-E632 PolarHBondContact O-N 3.11Å; A629-E632 PolarHBondContact O-N 2.74Å; I630-E632 PolarHBondContact O-N 3.3Å; E632-A634 VanDerWaalsContact C-N 3.3Å; E632-A634 PolarHBondContact O-N 3.19Å; E632-G635 PolarHBondContact O-N 3.35Å; E632-G635 VanDerWaalsContact O-N 3.11Å; E632-T637 HydrophobicContact CB-CG2 4.3Å; E632-T637 HydrophobicContact CG-CG2 4.27Å
633	L	97.1	Very high	97.6	Very high	84 Å²	84	38.5 Å²	38.5	44%	0.44	23%	0.226	S	C	.	.	H	α-helix	trans	-69.2	-30	177.9	-65.1	178.6	0	0	0	112.4	L327 A331 Q335 A629 I630 G635	L327-L633 HydrophobicContact CB-CD1 3.59Å; L327-L633 HydrophobicContact CD1-CD1 4.48Å; A331-L633 HydrophobicContact CB-CB 3.65Å; Q335-L633 PolarHBondContact NE2-O 3.01Å; Q335-L633 VanDerWaalsContact NE2-O 3.14Å; A629-L633 PolarHBondContact O-N 2.96Å; I630-L633 PolarHBondContact O-N 3.34Å; L633-G635 PolarHBondContact O-N 3.41Å
634	A	95.4	Very high	97.6	Very high	8 Å²	8	44 Å²	44	7%	0.066	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-9.9	174	0	0	0	0	0	112.7	A331 Q335 I630 E632 V636	A331-A634 HydrophobicContact CB-CB 4.27Å; Q335-A634 VanDerWaalsContact CG-O 3.32Å; Q335-A634 WeakPolarHBondContact CG-O 3.45Å; Q335-A634 VanDerWaalsContact NE2-C 3.26Å; Q335-A634 PolarHBondContact NE2-O 3.35Å; I630-A634 VanDerWaalsContact O-CB 3.25Å; I630-A634 WeakPolarHBondContact O-CB 3.44Å; I630-A634 PolarHBondContact O-N 3.3Å; E632-A634 VanDerWaalsContact C-N 3.3Å; E632-A634 PolarHBondContact O-N 3.19Å; A634-V636 VanDerWaalsContact C-N 3.33Å; A634-V636 HydrophobicContact CB-CG2 3.9Å
635	G	94.8	Very high	97.6	Very high	61 Å²	61	47.7 Å²	47.7	63%	0.629	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	14.1	-179.4	0	0	0	0	0	113.9	S631 E632 L633	S631-G635 PolarHBondContact O-N 2.99Å; E632-G635 PolarHBondContact O-N 3.35Å; E632-G635 VanDerWaalsContact O-N 3.11Å; L633-G635 PolarHBondContact O-N 3.41Å
636	V	96	Very high	97.6	Very high	31 Å²	31	43.2 Å²	43.2	19%	0.188	25%	0.25	C	C	.	.			trans	-123.2	45.7	179.4	-70	0	0	0	0	111.1	L361 R364 L365 S631 A634 L638	L361-V636 HydrophobicContact CD1-CG2 3.82Å; R364-V636 HydrophobicContact CB-CB 3.88Å; R364-V636 HydrophobicContact CB-CG1 4.21Å; R364-V636 HydrophobicContact CB-CG2 4.36Å; R364-V636 HydrophobicContact CG-CB 4.48Å; L365-V636 HydrophobicContact CD2-CG1 4.41Å; L365-V636 HydrophobicContact CD2-CG2 4.42Å; S631-V636 CarbonylContact O-C 3.6Å; S631-V636 PolarHBondContact O-N 3.23Å; A634-V636 VanDerWaalsContact C-N 3.33Å; A634-V636 HydrophobicContact CB-CG2 3.9Å; V636-L638 PolarHBondContact O-N 2.69Å
637	T	97.7	Very high	97.6	Very high	60 Å²	60	45.2 Å²	45.2	37%	0.368	26%	0.257	S	S	.	.			trans	-47.8	126.5	-174	-45.8	0	0	0	0	112.4	R364 R628 S631 E632	R364-T637 PolarHBondContact NH1-O 3.34Å; R364-T637 VanDerWaalsContact NH1-O 3.15Å; R628-T637 VanDerWaalsContact CZ-CG2 3.46Å; R628-T637 VanDerWaalsContact NH2-CG2 3.34Å; S631-T637 PolarHBondContact O-N 3.42Å; E632-T637 HydrophobicContact CB-CG2 4.3Å; E632-T637 HydrophobicContact CG-CG2 4.27Å
638	L	98.1	Very high	97.6	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.016	28%	0.281	C	S	.	.			trans	-73.5	147.7	175.8	-61.7	174.3	0	0	0	110.4	D360 L361 R364 R628 S631 V636 Y640	D360-L638 HydrophobicContact CB-CD2 3.7Å; L361-L638 HydrophobicContact CB-CD1 4.36Å; R364-L638 HydrophobicContact CG-CD2 4.31Å; R628-L638 PolarHBondContact NE-O 3.05Å; S631-L638 WeakPolarHBondContact OG-CG 3.18Å; S631-L638 PolarHBondContact OG-N 2.81Å; V636-L638 PolarHBondContact O-N 2.69Å; L638-Y640 HydrophobicContact CB-CD1 4.41Å; L638-Y640 HydrophobicContact CB-CE1 3.87Å; L638-Y640 HydrophobicContact CB-CE2 4.09Å; L638-Y640 HydrophobicContact CD1-CE2 4.33Å; L638-Y640 WeakPolarHBondContact CD1-OH 3.39Å; L638-Y640 PolarHBondContact O-N 3.22Å
639	P	97.4	Very high	97.6	Very high	95 Å²	95	50.2 Å²	50.2	62%	0.617	29%	0.287	S	S	*	.	S	Bend	trans	-82.8	27.8	-165.5	36	-38.3	0	0	0	114.2
640	Y	97.8	Very high	97.5	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.016	27%	0.273	C	S	.	.			trans	-145.6	144.8	-176.8	47.8	-103.1	0	0	0	111	S357 W624 R628 L638 V646 R649	S357-Y640 WeakPolarHBondContact CA-OH 3.19Å; S357-Y640 WeakPolarHBondContact CB-OH 3.43Å; S357-Y640 PolarHBondContact OG-OH 3.09Å; W624-Y640 HydrophobicContact CE3-CE2 4.48Å; R628-Y640 HydrophobicContact CB-CE2 4.46Å; R628-Y640 WeakPolarHBondContact CD-O 3.27Å; R628-Y640 PolarHBondContact NE-O 3.37Å; L638-Y640 HydrophobicContact CB-CD1 4.41Å; L638-Y640 HydrophobicContact CB-CE1 3.87Å; L638-Y640 HydrophobicContact CB-CE2 4.09Å; L638-Y640 HydrophobicContact CD1-CE2 4.33Å; L638-Y640 WeakPolarHBondContact CD1-OH 3.39Å; L638-Y640 PolarHBondContact O-N 3.22Å; Y640-V646 HydrophobicContact CD2-CB 4.45Å; Y640-V646 HydrophobicContact CD2-CG2 3.3Å; Y640-V646 HydrophobicContact CE2-CG2 3.56Å; Y640-V646 HydrophobicContact CG-CG2 3.92Å; Y640-R649 HydrophobicContact CD1-CB 4.37Å; Y640-R649 HydrophobicContact CD1-CG 4.46Å; Y640-R649 HydrophobicContact CE1-CG 4.24Å
641	D	96.8	Very high	97.5	Very high	116 Å²	116	50.2 Å²	50.2	62%	0.62	29%	0.287	S	S	*	.			trans	-124.4	-15.7	-176.5	-65.6	-27.9	0	0	0	112.6	R628 E645	R628-D641 IonicContact CZ-OD1 2.71Å; R628-D641 IonicContact NE-OD1 2.61Å; R628-D641 PolarHBondContact NE-OD1 3.11Å; R628-D641 IonicContact NH2-OD1 3.65Å; R628-D641 PolarHBondContact NH2-OD1 2.85Å; D641-E645 PolarHBondContact N-OE2 3.4Å
642	S	98.3	Very high	97.5	Very high	37 Å²	37	56.9 Å²	56.9	26%	0.259	32%	0.318	S	S	.	.	S	Bend	trans	-120	160.8	179.7	64.4	0	0	0	0	113	E644 E645 V646	S642-E644 VanDerWaalsContact C-N 3.27Å; S642-E644 PolarHBondContact O-N 3.28Å; S642-E645 PolarHBondContact N-OE2 3.27Å; S642-E645 PolarHBondContact O-N 3.12Å; S642-E645 WeakPolarHBondContact OG-CB 3.25Å; S642-E645 WeakPolarHBondContact OG-CG 3.49Å; S642-E645 PolarHBondContact OG-N 2.86Å; S642-E645 PolarHBondContact OG-OE2 3.04Å; S642-E645 VanDerWaalsContact OG-OE2 3.04Å; S642-V646 WeakPolarHBondContact O-CG2 3.39Å; S642-V646 PolarHBondContact O-N 3.3Å
643	L	97.7	Very high	97.5	Very high	24 Å²	24	53.9 Å²	53.9	13%	0.126	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-36.8	177.4	179.7	62.5	0	0	0	111.3	E353 N597 W624 E645 V646 R647	E353-L643 HydrophobicContact CG-CD1 3.77Å; N597-L643 HydrophobicContact CB-CD2 3.83Å; W624-L643 HydrophobicContact CZ2-CB 4.04Å; L643-E645 VanDerWaalsContact C-N 3.34Å; L643-V646 PolarHBondContact O-N 3.23Å; L643-R647 WeakPolarHBondContact O-CG 3.5Å; L643-R647 PolarHBondContact O-N 2.88Å
644	E	97.8	Very high	97.5	Very high	123 Å²	123	50.6 Å²	50.6	58%	0.575	29%	0.291	S	S	*	.	H	α-helix	trans	-64.4	-38.1	177.3	-67.8	73.3	-162.7	0	0	112.1	S642 R647 S648	S642-E644 VanDerWaalsContact C-N 3.27Å; S642-E644 PolarHBondContact O-N 3.28Å; E644-R647 PolarHBondContact O-N 3.47Å; E644-S648 PolarHBondContact O-N 2.85Å; E644-S648 PolarHBondContact O-OG 3.19Å
645	E	98.4	Very high	97.5	Very high	89 Å²	89	53.4 Å²	53.4	42%	0.416	31%	0.309	S	S	.	.	H	α-helix	trans	-70.4	-38.8	174.5	-71.5	163.2	168.7	0	0	111.6	D641 S642 L643 R647 S648 R649	D641-E645 PolarHBondContact N-OE2 3.4Å; S642-E645 PolarHBondContact N-OE2 3.27Å; S642-E645 PolarHBondContact O-N 3.12Å; S642-E645 WeakPolarHBondContact OG-CB 3.25Å; S642-E645 WeakPolarHBondContact OG-CG 3.49Å; S642-E645 PolarHBondContact OG-N 2.86Å; S642-E645 PolarHBondContact OG-OE2 3.04Å; S642-E645 VanDerWaalsContact OG-OE2 3.04Å; L643-E645 VanDerWaalsContact C-N 3.34Å; E645-R647 VanDerWaalsContact C-N 3.28Å; E645-R647 PolarHBondContact O-N 3.44Å; E645-S648 WeakPolarHBondContact O-CB 3.45Å; E645-S648 PolarHBondContact O-N 3.33Å; E645-S648 VanDerWaalsContact O-N 3.16Å; E645-R649 PolarHBondContact O-N 2.87Å
646	V	98.4	Very high	97.6	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60	-41.1	171.5	180	0	0	0	0	110.6	E353 V356 W624 Y640 S642 L643 S648 R649 L650	E353-V646 HydrophobicContact CB-CG1 3.75Å; E353-V646 HydrophobicContact CG-CG1 3.78Å; V356-V646 HydrophobicContact CG1-CG1 3.87Å; W624-V646 HydrophobicContact CD2-CG2 3.98Å; W624-V646 HydrophobicContact CE3-CG2 3.58Å; W624-V646 HydrophobicContact CH2-CG2 4.38Å; W624-V646 HydrophobicContact CZ3-CG2 3.8Å; Y640-V646 HydrophobicContact CD2-CB 4.45Å; Y640-V646 HydrophobicContact CD2-CG2 3.3Å; Y640-V646 HydrophobicContact CE2-CG2 3.56Å; Y640-V646 HydrophobicContact CG-CG2 3.92Å; S642-V646 WeakPolarHBondContact O-CG2 3.39Å; S642-V646 PolarHBondContact O-N 3.3Å; L643-V646 PolarHBondContact O-N 3.23Å; V646-S648 VanDerWaalsContact C-N 3.35Å; V646-R649 CarbonylContact O-C 3.6Å; V646-R649 WeakPolarHBondContact O-CA 3.39Å; V646-R649 WeakPolarHBondContact O-CB 3.48Å; V646-R649 PolarHBondContact O-N 2.94Å; V646-L650 PolarHBondContact O-N 2.91Å
647	R	98.3	Very high	97.7	Very high	48 Å²	48	49.5 Å²	49.5	18%	0.181	27%	0.272	C	S	.	.	H	α-helix	trans	-69.1	-33.6	176.1	-73.4	172.6	177.2	179.4	-4.4	112.6	E353 N597 L643 E644 E645 R649 L650 A651 V658 Y660	E353-R647 HydrophobicContact CG-CG 4.36Å; E353-R647 IonicContact OE1-CZ 3.63Å; E353-R647 IonicContact OE1-NE 2.83Å; E353-R647 PolarHBondContact OE1-NE 3.47Å; E353-R647 IonicContact OE1-NH2 2.75Å; N597-R647 PolarHBondContact O-NH2 2.89Å; L643-R647 WeakPolarHBondContact O-CG 3.5Å; L643-R647 PolarHBondContact O-N 2.88Å; E644-R647 PolarHBondContact O-N 3.47Å; E645-R647 VanDerWaalsContact C-N 3.28Å; E645-R647 PolarHBondContact O-N 3.44Å; R647-R649 VanDerWaalsContact C-N 3.28Å; R647-R649 PolarHBondContact O-N 3.43Å; R647-L650 HydrophobicContact CG-CD1 4.3Å; R647-L650 WeakPolarHBondContact O-CB 3.43Å; R647-L650 PolarHBondContact O-N 3.38Å; R647-A651 PolarHBondContact O-N 3.44Å; R647-V658 HydrophobicContact CB-CG1 4.21Å; R647-V658 VanDerWaalsContact O-CG1 3.29Å; R647-V658 WeakPolarHBondContact O-CG1 3.39Å; R647-Y660 PolarHBondContact NE-OH 3.37Å
648	S	98.3	Very high	97.6	Very high	71 Å²	71	48.8 Å²	48.8	50%	0.497	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-41.9	170.5	-57.2	0	0	0	0	110.3	E644 E645 V646 A651 E652	E644-S648 PolarHBondContact O-N 2.85Å; E644-S648 PolarHBondContact O-OG 3.19Å; E645-S648 WeakPolarHBondContact O-CB 3.45Å; E645-S648 PolarHBondContact O-N 3.33Å; E645-S648 VanDerWaalsContact O-N 3.16Å; V646-S648 VanDerWaalsContact C-N 3.35Å; S648-A651 WeakPolarHBondContact O-CB 3.43Å; S648-A651 PolarHBondContact O-N 3.32Å; S648-E652 WeakPolarHBondContact O-CG 3.22Å; S648-E652 PolarHBondContact O-N 3.45Å; S648-E652 VanDerWaalsContact O-N 3.12Å
649	R	98.3	Very high	97.6	Very high	58 Å²	58	54.2 Å²	54.2	22%	0.219	29%	0.288	C	S	.	.	H	α-helix	trans	-64.1	-40.2	172.9	179.2	60.4	-174.2	132.1	8.7	112.7	V356 D360 Y640 E645 V646 R647 A651 E652 V653	V356-R649 HydrophobicContact CG2-CG 4.1Å; D360-R649 IonicContact OD1-CZ 3.38Å; D360-R649 IonicContact OD1-NE 3.55Å; D360-R649 IonicContact OD1-NH2 3.63Å; D360-R649 PolarHBondContact OD1-NH2 2.82Å; D360-R649 WeakPolarHBondContact OD2-CG 3.32Å; D360-R649 IonicContact OD2-CZ 2.64Å; D360-R649 IonicContact OD2-NE 3.63Å; D360-R649 PolarHBondContact OD2-NE 3.39Å; D360-R649 IonicContact OD2-NH2 3.94Å; Y640-R649 HydrophobicContact CD1-CB 4.37Å; Y640-R649 HydrophobicContact CD1-CG 4.46Å; Y640-R649 HydrophobicContact CE1-CG 4.24Å; E645-R649 PolarHBondContact O-N 2.87Å; V646-R649 CarbonylContact O-C 3.6Å; V646-R649 WeakPolarHBondContact O-CA 3.39Å; V646-R649 WeakPolarHBondContact O-CB 3.48Å; V646-R649 PolarHBondContact O-N 2.94Å; R647-R649 VanDerWaalsContact C-N 3.28Å; R647-R649 PolarHBondContact O-N 3.43Å; R649-A651 VanDerWaalsContact C-N 3.29Å; R649-A651 PolarHBondContact O-N 3.25Å; R649-E652 WeakPolarHBondContact CD-OE2 3.49Å; R649-E652 IonicContact NH1-OE2 3.13Å; R649-E652 PolarHBondContact NH1-OE2 3.15Å; R649-E652 VanDerWaalsContact NH1-OE2 3.15Å; R649-E652 WeakPolarHBondContact O-CB 3.45Å; R649-E652 PolarHBondContact O-N 3.45Å; R649-V653 VanDerWaalsContact NH1-CG2 3.33Å; R649-V653 WeakPolarHBondContact O-CG2 3.3Å; R649-V653 PolarHBondContact O-N 3.05Å
650	L	97.9	Very high	97.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.8	-45	171.1	-73.9	174.9	0	0	0	110.9	A352 E353 V356 L532 V646 R647 E652 V653 S654 L657 V658	A352-L650 HydrophobicContact CB-CD1 4.11Å; A352-L650 HydrophobicContact CB-CD2 4.09Å; E353-L650 HydrophobicContact CG-CD1 3.84Å; V356-L650 HydrophobicContact CB-CD2 3.53Å; V356-L650 HydrophobicContact CB-CG 4.42Å; V356-L650 HydrophobicContact CG1-CD2 3.48Å; V356-L650 VanDerWaalsContact CG1-CD2 3.48Å; V356-L650 HydrophobicContact CG1-CG 3.9Å; V356-L650 HydrophobicContact CG2-CD2 4.12Å; L532-L650 HydrophobicContact CD1-CD2 4.3Å; L532-L650 HydrophobicContact CD2-CD2 3.91Å; V646-L650 PolarHBondContact O-N 2.91Å; R647-L650 HydrophobicContact CG-CD1 4.3Å; R647-L650 WeakPolarHBondContact O-CB 3.43Å; R647-L650 PolarHBondContact O-N 3.38Å; L650-E652 VanDerWaalsContact C-N 3.28Å; L650-E652 PolarHBondContact O-N 3.22Å; L650-V653 PolarHBondContact O-N 2.95Å; L650-V653 VanDerWaalsContact O-N 3.16Å; L650-S654 CarbonylContact O-C 3.37Å; L650-S654 PolarHBondContact O-N 2.97Å; L650-L657 HydrophobicContact CB-CB 4.42Å; L650-L657 HydrophobicContact CD2-CD1 3.78Å; L650-V658 HydrophobicContact CB-CG1 4.22Å
651	A	97.8	Very high	97.2	Very high	35 Å²	35	56.7 Å²	56.7	29%	0.289	29%	0.292	S	S	.	.	H	α-helix	trans	-63.5	-32.7	-179.7	0	0	0	0	0	113.4	R647 S648 R649 P655 V658	R647-A651 PolarHBondContact O-N 3.44Å; S648-A651 WeakPolarHBondContact O-CB 3.43Å; S648-A651 PolarHBondContact O-N 3.32Å; R649-A651 VanDerWaalsContact C-N 3.29Å; R649-A651 PolarHBondContact O-N 3.25Å; A651-P655 WeakPolarHBondContact O-CA 3.43Å; A651-V658 HydrophobicContact CB-CG1 4.11Å; A651-V658 HydrophobicContact CB-CG2 3.64Å
652	E	98	Very high	97	Very high	141 Å²	141	55.4 Å²	55.4	66%	0.659	29%	0.285	S	S	*	.	H	α-helix	trans	-68.4	-38	174.2	-68.3	172.4	-179.5	0	0	112.7	S648 R649 L650	S648-E652 WeakPolarHBondContact O-CG 3.22Å; S648-E652 PolarHBondContact O-N 3.45Å; S648-E652 VanDerWaalsContact O-N 3.12Å; R649-E652 WeakPolarHBondContact CD-OE2 3.49Å; R649-E652 IonicContact NH1-OE2 3.13Å; R649-E652 PolarHBondContact NH1-OE2 3.15Å; R649-E652 VanDerWaalsContact NH1-OE2 3.15Å; R649-E652 WeakPolarHBondContact O-CB 3.45Å; R649-E652 PolarHBondContact O-N 3.45Å; L650-E652 VanDerWaalsContact C-N 3.28Å; L650-E652 PolarHBondContact O-N 3.22Å
653	V	97.4	Very high	96.8	Very high	43 Å²	43	54.8 Å²	54.8	26%	0.261	28%	0.279	S	S	.	.	H	α-helix	trans	-79	-49.8	179.8	-179.2	0	0	0	0	110.6	V356 L532 R649 L650	V356-V653 HydrophobicContact CG2-CG2 4.1Å; L532-V653 HydrophobicContact CD2-CB 4.16Å; L532-V653 HydrophobicContact CD2-CG1 3.74Å; R649-V653 VanDerWaalsContact NH1-CG2 3.33Å; R649-V653 WeakPolarHBondContact O-CG2 3.3Å; R649-V653 PolarHBondContact O-N 3.05Å; L650-V653 PolarHBondContact O-N 2.95Å; L650-V653 VanDerWaalsContact O-N 3.16Å
654	S	96.5	Very high	96.6	Very high	15 Å²	15	56.2 Å²	56.2	11%	0.105	29%	0.286	C	S	.	.			trans	-149.5	100.4	-177.1	-152.7	0	0	0	0	110.2	D531 L650 N656 L657	D531-S654 PolarHBondContact O-OG 2.93Å; L650-S654 CarbonylContact O-C 3.37Å; L650-S654 PolarHBondContact O-N 2.97Å; S654-N656 WeakPolarHBondContact CB-OD1 3.08Å; S654-N656 PolarHBondContact O-N 2.97Å; S654-N656 PolarHBondContact O-OD1 2.96Å; S654-N656 PolarHBondContact OG-OD1 2.87Å; S654-L657 PolarHBondContact O-N 3.45Å
655	P	96.6	Very high	96	Very high	68 Å²	68	56.8 Å²	56.8	44%	0.442	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-69.7	-15.8	-169.9	26.1	-35.1	0	0	0	114.6	A651 L657 V658	A651-P655 WeakPolarHBondContact O-CA 3.43Å; P655-L657 VanDerWaalsContact C-N 3.27Å; P655-L657 PolarHBondContact O-N 3.11Å; P655-V658 WeakPolarHBondContact O-CG2 3.08Å
656	N	96.2	Very high	95.6	Very high	10 Å²	10	53 Å²	53	5%	0.053	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-64.1	-30.9	173.8	63.7	-21.9	0	0	0	112.5	R386 D531 S607 S654 V658 R659 E664	R386-N656 PolarHBondContact NE-ND2 3.39Å; R386-N656 PolarHBondContact NH2-ND2 2.84Å; D531-N656 VanDerWaalsContact CG-ND2 3.34Å; D531-N656 PolarHBondContact OD2-ND2 2.98Å; S607-N656 WeakPolarHBondContact CB-O 3.35Å; S607-N656 PolarHBondContact OG-O 3.3Å; S654-N656 WeakPolarHBondContact CB-OD1 3.08Å; S654-N656 PolarHBondContact O-N 2.97Å; S654-N656 PolarHBondContact O-OD1 2.96Å; S654-N656 PolarHBondContact OG-OD1 2.87Å; N656-V658 PolarHBondContact O-N 2.97Å; N656-V658 VanDerWaalsContact O-N 3.16Å; N656-R659 PolarHBondContact O-N 3.04Å; N656-E664 HydrophobicContact CB-CB 4.31Å; N656-E664 HydrophobicContact CB-CG 3.86Å
657	L	97.1	Very high	95	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-65.3	-21.5	-174.5	-60.7	-178	0	0	0	113.1	A352 D531 L532 T599 V601 S607 L650 S654 P655	A352-L657 HydrophobicContact CB-CD1 4.36Å; D531-L657 HydrophobicContact CB-CD2 4.18Å; L532-L657 HydrophobicContact CD1-CD1 4.36Å; L532-L657 HydrophobicContact CD2-CD1 3.6Å; L532-L657 HydrophobicContact CG-CD1 3.82Å; T599-L657 VanDerWaalsContact CG2-O 3.24Å; T599-L657 WeakPolarHBondContact CG2-O 3.34Å; V601-L657 HydrophobicContact CG2-CD2 3.3Å; S607-L657 WeakPolarHBondContact OG-CA 3.44Å; L650-L657 HydrophobicContact CB-CB 4.42Å; L650-L657 HydrophobicContact CD2-CD1 3.78Å; S654-L657 PolarHBondContact O-N 3.45Å; P655-L657 VanDerWaalsContact C-N 3.27Å; P655-L657 PolarHBondContact O-N 3.11Å
658	V	97.1	Very high	94.7	Very high	44 Å²	44	61.6 Å²	61.6	27%	0.267	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-104.5	-1.3	-179.3	-62.3	0	0	0	0	113.8	R647 L650 A651 P655 N656 Y660	R647-V658 HydrophobicContact CB-CG1 4.21Å; R647-V658 VanDerWaalsContact O-CG1 3.29Å; R647-V658 WeakPolarHBondContact O-CG1 3.39Å; L650-V658 HydrophobicContact CB-CG1 4.22Å; A651-V658 HydrophobicContact CB-CG1 4.11Å; A651-V658 HydrophobicContact CB-CG2 3.64Å; P655-V658 WeakPolarHBondContact O-CG2 3.08Å; N656-V658 PolarHBondContact O-N 2.97Å; N656-V658 VanDerWaalsContact O-N 3.16Å; V658-Y660 PolarHBondContact O-N 3.23Å
659	R	96.7	Very high	94.2	Very high	118 Å²	118	59 Å²	59	45%	0.445	29%	0.292	S	S	.	.	S	Bend	trans	-96.4	81.4	176.3	-66.5	179.6	-175.8	177.4	3	109	N656 D662 E664	N656-R659 PolarHBondContact O-N 3.04Å; R659-D662 HydrophobicContact CB-CB 4.35Å; R659-E664 WeakPolarHBondContact CD-OE1 3.19Å; R659-E664 IonicContact CZ-OE1 3.71Å; R659-E664 IonicContact NE-OE1 3.33Å; R659-E664 VanDerWaalsContact NH1-CD 3.32Å; R659-E664 IonicContact NH1-OE1 3.65Å; R659-E664 PolarHBondContact NH1-OE1 3.2Å; R659-E664 IonicContact NH1-OE2 3.7Å; R659-E664 PolarHBondContact NH1-OE2 3.48Å
660	Y	96.4	Very high	93.6	Very high	63 Å²	63	62.2 Å²	62.2	25%	0.247	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-69.2	141.7	-174.5	-57.5	-66.1	0	0	0	111.7	T599 S607 H609 R647 V658 D662	T599-Y660 HydrophobicContact CG2-CE1 3.94Å; T599-Y660 PolarHBondContact OG1-OH 2.66Å; S607-Y660 WeakPolarHBondContact O-CA 3.25Å; H609-Y660 HydrophobicContact CB-CD1 4.25Å; H609-Y660 HydrophobicContact CB-CE1 3.81Å; H609-Y660 AromaticContact CE1-CD2 3.89Å; H609-Y660 AromaticContact CE1-CG 3.95Å; H609-Y660 AromaticContact CG-CE1 4Å; H609-Y660 AromaticContact ND1-CD1 3.3Å; H609-Y660 VanDerWaalsContact ND1-CD1 3.3Å; H609-Y660 WeakPolarHBondContact ND1-CD1 3.19Å; H609-Y660 AromaticContact ND1-CD2 3.5Å; H609-Y660 WeakPolarHBondContact ND1-CD2 3.06Å; H609-Y660 AromaticContact ND1-CE1 3.39Å; H609-Y660 WeakPolarHBondContact ND1-CE1 3.45Å; H609-Y660 AromaticContact ND1-CE2 3.58Å; H609-Y660 AromaticContact ND1-CG 3.35Å; H609-Y660 AromaticContact ND1-CZ 3.54Å; R647-Y660 PolarHBondContact NE-OH 3.37Å; V658-Y660 PolarHBondContact O-N 3.23Å; Y660-D662 PolarHBondContact O-N 2.77Å
661	D	92.1	Very high	93.3	Very high	87 Å²	87	66.5 Å²	66.5	47%	0.465	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	12.2	179.9	-152.3	23.7	0	0	0	115.3	H282 R606 S607	H282-D661 IonicContact CE1-OD1 3.58Å; H282-D661 IonicContact NE2-OD1 2.8Å; H282-D661 PolarHBondContact NE2-OD1 2.97Å; H282-D661 IonicContact NE2-OD2 2.93Å; R606-D661 IonicContact CZ-OD1 2.93Å; R606-D661 PolarHBondContact NH1-O 3.38Å; R606-D661 IonicContact NH1-OD1 2.69Å; R606-D661 PolarHBondContact NH1-OD1 3.13Å; S607-D661 PolarHBondContact O-N 3.31Å
662	D	92.4	Very high	92.9	Very high	89 Å²	89	64.8 Å²	64.8	48%	0.476	31%	0.314	S	S	.	.			trans	-105.9	136.8	172.3	-70.9	-36.7	0	0	0	110.2	R659 Y660	R659-D662 HydrophobicContact CB-CB 4.35Å; Y660-D662 PolarHBondContact O-N 2.77Å
663	V	94.3	Very high	92.4	Very high	24 Å²	24	58.5 Å²	58.5	15%	0.145	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-98.2	95.3	167.4	-179.7	0	0	0	0	108.2	R394 E604 R606 E665	R394-V663 HydrophobicContact CG-CG1 4.22Å; E604-V663 HydrophobicContact CG-CG2 4.3Å; E604-V663 WeakPolarHBondContact O-CG1 3.41Å; E604-V663 WeakPolarHBondContact OE1-CG2 3.1Å; R606-V663 HydrophobicContact CB-CG2 3.8Å; R606-V663 HydrophobicContact CG-CG2 4.11Å; V663-E665 PolarHBondContact O-N 2.91Å
664	E	92.6	Very high	92.1	Very high	55 Å²	55	62.4 Å²	62.4	26%	0.257	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-62.5	121.6	176.3	-70.6	-68	160	0	0	110.6	N656 R659 A666	N656-E664 HydrophobicContact CB-CB 4.31Å; N656-E664 HydrophobicContact CB-CG 3.86Å; R659-E664 WeakPolarHBondContact CD-OE1 3.19Å; R659-E664 IonicContact CZ-OE1 3.71Å; R659-E664 IonicContact NE-OE1 3.33Å; R659-E664 VanDerWaalsContact NH1-CD 3.32Å; R659-E664 IonicContact NH1-OE1 3.65Å; R659-E664 PolarHBondContact NH1-OE1 3.2Å; R659-E664 IonicContact NH1-OE2 3.7Å; R659-E664 PolarHBondContact NH1-OE2 3.48Å; E664-A666 PolarHBondContact O-N 3.03Å
665	E	86.2	Confident	91.8	Very high	134 Å²	134	65.2 Å²	65.2	63%	0.626	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-64.4	119.8	-175.2	-170.6	-175.7	171.6	0	0	111.2	K515 V663	K515-E665 WeakPolarHBondContact CE-OE1 3.34Å; K515-E665 IonicContact NZ-OE1 2.94Å; K515-E665 PolarHBondContact NZ-OE1 3.32Å; V663-E665 PolarHBondContact O-N 2.91Å
666	A	88.1	Confident	91.4	Very high	11 Å²	11	62.4 Å²	62.4	9%	0.091	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-82.3	134.2	169.4	0	0	0	0	0	110.7	R386 L390 N392 E664 F669	R386-A666 HydrophobicContact CB-CB 4.11Å; L390-A666 HydrophobicContact CD1-CB 4.11Å; N392-A666 WeakPolarHBondContact OD1-CB 3.48Å; E664-A666 PolarHBondContact O-N 3.03Å; A666-F669 VanDerWaalsContact O-CE2 3.27Å; A666-F669 WeakPolarHBondContact O-CE2 3.31Å
667	N	87.8	Confident	90.9	Very high	92 Å²	92	68.8 Å²	68.8	49%	0.492	32%	0.323	S	S	.	.			trans	-124.3	-170.1	179.5	-156.2	-9.8	0	0	0	110.6	S387	S387-N667 VanDerWaalsContact CB-O 3.29Å; S387-N667 WeakPolarHBondContact CB-O 3.21Å; S387-N667 PolarHBondContact OG-O 3.43Å; S387-N667 VanDerWaalsContact OG-O 3.14Å
668	Y	90.9	Very high	90.4	Very high	135 Å²	135	73.6 Å²	73.6	53%	0.529	35%	0.352	S	S	.	.			trans	71.8	26.6	175.5	-48.9	-57	0	0	0	116.4	L385 K670 Q671 A672	L385-Y668 HydrophobicContact CD2-CD2 4.04Å; L385-Y668 HydrophobicContact CD2-CG 4.43Å; Y668-K670 PolarHBondContact O-N 2.9Å; Y668-Q671 PolarHBondContact O-N 3.22Å; Y668-Q671 PolarHBondContact O-OE1 3.21Å; Y668-A672 PolarHBondContact O-N 2.82Å
669	F	87.4	Confident	89.7	Confident	16 Å²	16	72.7 Å²	72.7	7%	0.07	35%	0.347	C	S	.	.	H	α-helix	trans	-54.4	-35.8	173.9	-64.3	-90.3	0	0	0	113.8	N392 K515 L517 A666 A672 N673	N392-F669 HydrophobicContact CB-CE1 4.23Å; N392-F669 HydrophobicContact CB-CZ 3.86Å; N392-F669 WeakPolarHBondContact ND2-CE1 3.48Å; K515-F669 HydrophobicContact CB-CZ 4.42Å; K515-F669 HydrophobicContact CD-CE2 3.7Å; K515-F669 HydrophobicContact CD-CZ 3.92Å; K515-F669 HydrophobicContact CG-CZ 4.41Å; L517-F669 HydrophobicContact CB-CD1 4.39Å; L517-F669 HydrophobicContact CB-CE1 4.42Å; A666-F669 VanDerWaalsContact O-CE2 3.27Å; A666-F669 WeakPolarHBondContact O-CE2 3.31Å; F669-A672 PolarHBondContact O-N 2.93Å; F669-N673 VanDerWaalsContact O-CB 3.31Å; F669-N673 WeakPolarHBondContact O-CB 3.42Å; F669-N673 PolarHBondContact O-N 2.92Å
670	K	86.7	Confident	88.9	Confident	126 Å²	126	75.2 Å²	75.2	55%	0.548	37%	0.369	S	S	.	.	H	α-helix	trans	-65.1	-47.9	179.3	-69.7	-176.4	-179.6	179.1	0	111.1	Y668 A672 N673 E674	Y668-K670 PolarHBondContact O-N 2.9Å; K670-A672 VanDerWaalsContact C-N 3.32Å; K670-A672 PolarHBondContact O-N 3.38Å; K670-N673 PolarHBondContact O-N 2.83Å; K670-E674 WeakPolarHBondContact O-CG 3.1Å; K670-E674 PolarHBondContact O-N 3.06Å
671	Q	91.8	Very high	88.4	Confident	90 Å²	90	75.9 Å²	75.9	42%	0.421	38%	0.375	S	S	.	.	H	α-helix	trans	-62.5	-43	177.2	-67.2	78.5	0.6	0	0	110.5	L385 Y668 N673 E674 L675	L385-Q671 HydrophobicContact CD1-CB 4.23Å; Y668-Q671 PolarHBondContact O-N 3.22Å; Y668-Q671 PolarHBondContact O-OE1 3.21Å; Q671-N673 VanDerWaalsContact C-N 3.3Å; Q671-N673 PolarHBondContact O-N 2.85Å; Q671-E674 PolarHBondContact O-N 3.21Å; Q671-L675 WeakPolarHBondContact O-CG 3.49Å; Q671-L675 PolarHBondContact O-N 3.1Å
672	A	89.5	Confident	88.2	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-61.7	-40.2	178.3	0	0	0	0	0	112.4	A381 L385 N388 Y668 F669 K670 L675 S676	A381-A672 HydrophobicContact CB-CB 4.12Å; L385-A672 HydrophobicContact CD1-CB 3.62Å; N388-A672 WeakPolarHBondContact OD1-CB 3.42Å; Y668-A672 PolarHBondContact O-N 2.82Å; F669-A672 PolarHBondContact O-N 2.93Å; K670-A672 VanDerWaalsContact C-N 3.32Å; K670-A672 PolarHBondContact O-N 3.38Å; A672-L675 PolarHBondContact O-N 3.15Å; A672-S676 PolarHBondContact O-N 2.77Å
673	N	87.6	Confident	88.1	Confident	9 Å²	9	74.4 Å²	74.4	5%	0.048	37%	0.367	C	S	.	.	H	α-helix	trans	-72.3	-30	175.4	-173.8	61.1	0	0	0	113.4	S498 F669 K670 Q671 S676 K677	S498-N673 WeakPolarHBondContact OG-CB 3.5Å; S498-N673 PolarHBondContact OG-OD1 3.34Å; F669-N673 VanDerWaalsContact O-CB 3.31Å; F669-N673 WeakPolarHBondContact O-CB 3.42Å; F669-N673 PolarHBondContact O-N 2.92Å; K670-N673 PolarHBondContact O-N 2.83Å; Q671-N673 VanDerWaalsContact C-N 3.3Å; Q671-N673 PolarHBondContact O-N 2.85Å; N673-S676 WeakPolarHBondContact CA-OG 3.48Å; N673-S676 PolarHBondContact O-OG 2.71Å; N673-K677 WeakPolarHBondContact O-CG 3.38Å; N673-K677 PolarHBondContact O-N 2.67Å
674	E	90.3	Very high	87.9	Confident	124 Å²	124	77 Å²	77	58%	0.579	38%	0.379	S	S	*	.	H	α-helix	trans	-67.2	-42.6	172	-76.2	171.4	-175.9	0	0	111.1	K670 Q671 S676 K677	K670-E674 WeakPolarHBondContact O-CG 3.1Å; K670-E674 PolarHBondContact O-N 3.06Å; Q671-E674 PolarHBondContact O-N 3.21Å; E674-S676 VanDerWaalsContact C-N 3.35Å; E674-K677 WeakPolarHBondContact O-CB 3.12Å; E674-K677 PolarHBondContact O-N 2.85Å
675	L	90.6	Very high	87.6	Confident	75 Å²	75	78 Å²	78	39%	0.393	40%	0.397	S	S	.	.	H	α-helix	trans	-68.6	-31.9	175.2	-67	171	0	0	0	112.3	G380 A381 Q671 A672 K677 T678	G380-L675 WeakPolarHBondContact CA-O 3.39Å; A381-L675 HydrophobicContact CB-CB 4.14Å; A381-L675 HydrophobicContact CB-CD1 3.76Å; Q671-L675 WeakPolarHBondContact O-CG 3.49Å; Q671-L675 PolarHBondContact O-N 3.1Å; A672-L675 PolarHBondContact O-N 3.15Å; L675-K677 PolarHBondContact O-N 3.27Å; L675-T678 PolarHBondContact O-N 3.24Å; L675-T678 PolarHBondContact O-OG1 3Å
676	S	86.9	Confident	87.8	Confident	8 Å²	8	73.3 Å²	73.3	6%	0.056	38%	0.38	C	S	.	.	H	α-helix	trans	-66.8	-22.5	176.6	76.5	0	0	0	0	112.9	S495 A672 N673 E674 T678 V679	S495-S676 PolarHBondContact OG-O 3.13Å; A672-S676 PolarHBondContact O-N 2.77Å; N673-S676 WeakPolarHBondContact CA-OG 3.48Å; N673-S676 PolarHBondContact O-OG 2.71Å; E674-S676 VanDerWaalsContact C-N 3.35Å; S676-T678 VanDerWaalsContact C-N 3.26Å; S676-T678 PolarHBondContact O-N 3.34Å; S676-V679 VanDerWaalsContact O-CB 3.27Å; S676-V679 WeakPolarHBondContact O-CB 3.43Å; S676-V679 VanDerWaalsContact O-CG2 3.25Å; S676-V679 WeakPolarHBondContact O-CG2 2.89Å; S676-V679 PolarHBondContact O-N 3.24Å
677	K	85.7	Confident	88	Confident	145 Å²	145	75.6 Å²	75.6	63%	0.63	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-17.8	175.5	-68.1	171.9	-175.6	178.8	0	113.4	N673 E674 L675	N673-K677 WeakPolarHBondContact O-CG 3.38Å; N673-K677 PolarHBondContact O-N 2.67Å; E674-K677 WeakPolarHBondContact O-CB 3.12Å; E674-K677 PolarHBondContact O-N 2.85Å; L675-K677 PolarHBondContact O-N 3.27Å
678	T	87.1	Confident	88.3	Confident	100 Å²	100	71.3 Å²	71.3	61%	0.613	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.5	174.5	69.8	0	0	0	0	112.3	L675 S676 N680	L675-T678 PolarHBondContact O-N 3.24Å; L675-T678 PolarHBondContact O-OG1 3Å; S676-T678 VanDerWaalsContact C-N 3.26Å; S676-T678 PolarHBondContact O-N 3.34Å; T678-N680 PolarHBondContact O-N 3.3Å; T678-N680 VanDerWaalsContact O-N 3.14Å
679	V	83.6	Confident	88.6	Confident	26 Å²	26	68.5 Å²	68.5	16%	0.158	37%	0.368	C	S	.	.			trans	-69.7	108	176.9	179.5	0	0	0	0	109	A379 A491 S676 Q681	A379-V679 HydrophobicContact CB-CG1 4.41Å; A379-V679 HydrophobicContact CB-CG2 4Å; A491-V679 HydrophobicContact CB-CG1 3.77Å; S676-V679 VanDerWaalsContact O-CB 3.27Å; S676-V679 WeakPolarHBondContact O-CB 3.43Å; S676-V679 VanDerWaalsContact O-CG2 3.25Å; S676-V679 WeakPolarHBondContact O-CG2 2.89Å; S676-V679 PolarHBondContact O-N 3.24Å; V679-Q681 HydrophobicContact CG1-CB 4.04Å; V679-Q681 PolarHBondContact O-N 2.87Å
680	N	78.6	Confident	89	Confident	170 Å²	170	67.9 Å²	67.9	91%	0.909	37%	0.366	S	S	*	.			trans	-93.5	68.4	178	-164	8.9	0	0	0	110.1	T678	T678-N680 PolarHBondContact O-N 3.3Å; T678-N680 VanDerWaalsContact O-N 3.14Å
681	Q	85.9	Confident	89.4	Confident	78 Å²	78	65.2 Å²	65.2	36%	0.364	36%	0.362	S	S	.	.			trans	-138.2	134	177.8	-169.9	174.6	27.6	0	0	110.7	E488 A492 V679	E488-Q681 PolarHBondContact O-NE2 3.33Å; A492-Q681 HydrophobicContact CB-CB 4.18Å; A492-Q681 HydrophobicContact CB-CG 4.18Å; A492-Q681 WeakPolarHBondContact CB-O 3.46Å; V679-Q681 HydrophobicContact CG1-CB 4.04Å; V679-Q681 PolarHBondContact O-N 2.87Å
682	D	88.4	Confident	89.5	Confident	124 Å²	124	61.7 Å²	61.7	66%	0.663	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-87.1	144.4	175.5	-86	-54.1	0	0	0	112.1	K457 I684	K457-D682 IonicContact NZ-OD1 3.83Å; D682-I684 PolarHBondContact O-N 3.16Å
683	L	90.2	Very high	89.7	Confident	21 Å²	21	64.7 Å²	64.7	11%	0.11	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-66.9	126.2	168.8	-67.1	163.9	0	0	0	110.2	L456 K457 A492 I493 A496	L456-L683 HydrophobicContact CB-CD1 4.42Å; K457-L683 HydrophobicContact CD-CD1 4.11Å; K457-L683 HydrophobicContact CG-CD1 3.42Å; K457-L683 VanDerWaalsContact CG-CD1 3.42Å; A492-L683 HydrophobicContact CB-CD2 3.73Å; A492-L683 HydrophobicContact CB-CG 3.98Å; I493-L683 HydrophobicContact CB-CD2 4.29Å; I493-L683 HydrophobicContact CG1-CD2 3.54Å; A496-L683 HydrophobicContact CB-CD1 4.24Å
684	I	91.1	Very high	90	Very high	79 Å²	79	67.5 Å²	67.5	41%	0.405	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-75.5	123.5	170.7	-60.2	167.2	0	0	0	106.8	S453 R487 E488 D489 D682 A686	S453-I684 PolarHBondContact OG-O 2.96Å; R487-I684 PolarHBondContact NH2-O 2.85Å; E488-I684 HydrophobicContact CB-CD1 4.27Å; D489-I684 HydrophobicContact CB-CB 4.39Å; D489-I684 HydrophobicContact CB-CD1 3.82Å; D489-I684 HydrophobicContact CB-CG1 3.86Å; D489-I684 WeakPolarHBondContact OD2-CB 3.45Å; D489-I684 PolarHBondContact OD2-N 3.09Å; D682-I684 PolarHBondContact O-N 3.16Å; I684-A686 HydrophobicContact CG2-CB 4.05Å; I684-A686 PolarHBondContact O-N 2.97Å
685	A	84.6	Confident	90	Very high	76 Å²	76	62.7 Å²	62.7	63%	0.628	36%	0.36	S	S	*	.			trans	-72.8	44.2	-177.5	0	0	0	0	0	113.8
686	A	90.5	Very high	90.1	Very high	34 Å²	34	64.1 Å²	64.1	28%	0.281	36%	0.362	S	S	.	.			trans	-98.4	152.5	174	0	0	0	0	0	110.8	S453 R487 I684	S453-A686 PolarHBondContact N-O 3.18Å; R487-A686 PolarHBondContact NH1-O 2.84Å; I684-A686 HydrophobicContact CG2-CB 4.05Å; I684-A686 PolarHBondContact O-N 2.97Å
687	P	92.5	Very high	90.4	Very high	60 Å²	60	66.5 Å²	66.5	39%	0.39	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-62.7	146.5	175.5	27.2	-34	0	0	0	111.7	E451 R487 V689	E451-P687 HydrophobicContact CB-CB 4.11Å; E451-P687 CarbonylContact O-C 3.53Å; E451-P687 VanDerWaalsContact O-CA 3.27Å; E451-P687 WeakPolarHBondContact O-CA 3.39Å; R487-P687 PolarHBondContact NH1-O 3.41Å; P687-V689 HydrophobicContact CB-CG2 3.97Å; P687-V689 HydrophobicContact CG-CG2 4.03Å; P687-V689 PolarHBondContact O-N 2.66Å
688	L	94.9	Very high	90.9	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.01	35%	0.345	C	S	.	.			trans	-87.2	93.4	171.8	-63.5	165	0	0	0	108.2	V407 V436 G437 H438 E451 L456 A484 R487 I493	V407-L688 HydrophobicContact CG1-CD1 4.1Å; V436-L688 HydrophobicContact CG1-CD1 4.15Å; G437-L688 CarbonylContact C-O 3.53Å; G437-L688 WeakPolarHBondContact CA-O 3.43Å; H438-L688 PolarHBondContact N-O 3.3Å; E451-L688 PolarHBondContact O-N 2.87Å; L456-L688 HydrophobicContact CD1-CD1 4.17Å; A484-L688 HydrophobicContact CB-CD2 4.4Å; R487-L688 VanDerWaalsContact NH1-CD2 3.3Å; I493-L688 HydrophobicContact CD1-CD2 3.67Å; I493-L688 HydrophobicContact CG1-CD2 4.48Å
689	V	96.8	Very high	91.4	Very high	75 Å²	75	55.5 Å²	55.5	46%	0.455	32%	0.318	S	S	.	.			trans	-102.7	116.7	-178.1	-173.6	0	0	0	0	109	H438 P687 I693	H438-V689 HydrophobicContact CB-CB 4.48Å; H438-V689 HydrophobicContact CB-CG1 4.36Å; H438-V689 HydrophobicContact CB-CG2 4.33Å; P687-V689 HydrophobicContact CB-CG2 3.97Å; P687-V689 HydrophobicContact CG-CG2 4.03Å; P687-V689 PolarHBondContact O-N 2.66Å; V689-I693 HydrophobicContact CG1-CD1 3.71Å; V689-I693 HydrophobicContact CG1-CG1 4.36Å
690	P	95.4	Very high	92	Very high	4 Å²	4	57.5 Å²	57.5	3%	0.026	33%	0.327	C	S	.	.			trans	-69.7	150.1	174.5	29.6	-32.2	0	0	0	110.1	N410 V440 Q692 I693	N410-P690 HydrophobicContact CB-CB 3.99Å; N410-P690 HydrophobicContact CB-CG 3.87Å; V440-P690 HydrophobicContact CG1-CG 4.16Å; P690-Q692 VanDerWaalsContact C-N 3.26Å; P690-Q692 PolarHBondContact O-N 3.43Å; P690-I693 WeakPolarHBondContact O-CG1 3.23Å
691	P	94.6	Very high	92.9	Very high	70 Å²	70	51.6 Å²	51.6	46%	0.455	30%	0.297	S	S	.	.	S	Bend	trans	-72	-20.7	-176.4	24	-29	0	0	0	113	S483	S483-P691 VanDerWaalsContact CB-CD 3.45Å
692	Q	95.2	Very high	93.4	Very high	16 Å²	16	48.8 Å²	48.8	8%	0.075	28%	0.284	C	S	.	.			trans	-110.6	98.7	176.5	-65.6	168.6	-4.3	0	0	108.9	N410 Y413 P690 D697	N410-Q692 WeakPolarHBondContact CB-O 3.41Å; N410-Q692 PolarHBondContact ND2-O 3.2Å; Y413-Q692 HydrophobicContact CD2-CB 4.18Å; Y413-Q692 HydrophobicContact CG-CB 4.43Å; Y413-Q692 PolarHBondContact O-OE1 2.75Å; P690-Q692 VanDerWaalsContact C-N 3.26Å; P690-Q692 PolarHBondContact O-N 3.43Å; Q692-D697 HydrophobicContact CB-CB 4.09Å; Q692-D697 HydrophobicContact CG-CB 4.04Å
693	I	93.9	Very high	93.9	Very high	63 Å²	63	43 Å²	43	32%	0.323	25%	0.253	S	S	.	.			trans	-96.8	-36.9	-178	-57	175.6	0	0	0	109.8	Y413 V689 P690 D697	Y413-I693 WeakPolarHBondContact CE2-O 3.41Å; V689-I693 HydrophobicContact CG1-CD1 3.71Å; V689-I693 HydrophobicContact CG1-CG1 4.36Å; P690-I693 WeakPolarHBondContact O-CG1 3.23Å; I693-D697 PolarHBondContact N-OD2 3.28Å
694	T	93.9	Very high	94.3	Very high	68 Å²	68	42 Å²	42	42%	0.417	25%	0.248	S	C	.	.	S	Bend	trans	-121.3	162.8	-174.7	68.9	0	0	0	0	111.7	Y413 K696 D697	Y413-T694 VanDerWaalsContact CE2-C 3.41Å; T694-K696 PolarHBondContact O-N 3.49Å; T694-D697 PolarHBondContact N-OD2 2.65Å; T694-D697 PolarHBondContact O-N 3.47Å; T694-D697 PolarHBondContact OG1-OD2 2.88Å
695	A	90.1	Very high	94.6	Very high	23 Å²	23	38.3 Å²	38.3	19%	0.19	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-21.4	176.8	0	0	0	0	0	113.1	Y413 D697 F698 Y699 L718	Y413-A695 HydrophobicContact CE1-CB 4.18Å; Y413-A695 PolarHBondContact OH-N 2.79Å; A695-D697 VanDerWaalsContact C-N 3.33Å; A695-F698 WeakPolarHBondContact O-CB 3.29Å; A695-F698 PolarHBondContact O-N 3.15Å; A695-Y699 WeakPolarHBondContact O-CD2 3.01Å; A695-Y699 WeakPolarHBondContact O-CE2 3.35Å; A695-L718 VanDerWaalsContact C-CD1 3.46Å; A695-L718 HydrophobicContact CB-CD1 3.73Å; A695-L718 HydrophobicContact CB-CD2 4.34Å
696	K	92.2	Very high	95.2	Very high	104 Å²	104	38.1 Å²	38.1	45%	0.452	21%	0.212	S	C	.	.	H	α-helix	trans	-63.9	-40.4	175.1	-175.6	-171.2	172.1	-174.6	0	111.5	T694 F698 V715 L718 T719	T694-K696 PolarHBondContact O-N 3.49Å; K696-F698 PolarHBondContact O-N 3.4Å; K696-V715 HydrophobicContact CG-CG1 4.03Å; K696-L718 HydrophobicContact CB-CD1 4.42Å; K696-T719 HydrophobicContact CD-CG2 3.92Å
697	D	92.7	Very high	95.6	Very high	59 Å²	59	36.5 Å²	36.5	32%	0.316	20%	0.199	S	C	.	.	H	α-helix	trans	-74.9	-17.5	-174.9	-48.6	-45.9	0	0	0	111.6	Q692 I693 T694 A695	Q692-D697 HydrophobicContact CB-CB 4.09Å; Q692-D697 HydrophobicContact CG-CB 4.04Å; I693-D697 PolarHBondContact N-OD2 3.28Å; T694-D697 PolarHBondContact N-OD2 2.65Å; T694-D697 PolarHBondContact O-N 3.47Å; T694-D697 PolarHBondContact OG1-OD2 2.88Å; A695-D697 VanDerWaalsContact C-N 3.33Å
698	F	97.1	Very high	95.8	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-72.3	-43.1	179.6	170.8	-110.4	0	0	0	113.1	E221 K293 Y413 P416 A695 K696 M700	E221-F698 HydrophobicContact CB-CD1 4.27Å; E221-F698 HydrophobicContact CB-CE1 4.02Å; E221-F698 HydrophobicContact CB-CZ 4.23Å; K293-F698 HydrophobicContact CB-CE1 3.98Å; K293-F698 HydrophobicContact CB-CE2 4.42Å; K293-F698 HydrophobicContact CB-CZ 3.67Å; K293-F698 WeakPolarHBondContact CE-O 3.49Å; K293-F698 PolarHBondContact NZ-O 2.98Å; Y413-F698 HydrophobicContact CD1-CB 3.69Å; Y413-F698 HydrophobicContact CD1-CD2 4.1Å; Y413-F698 AromaticContact CD1-CG 3.94Å; Y413-F698 HydrophobicContact CD1-CG 3.94Å; Y413-F698 HydrophobicContact CE1-CB 4.36Å; Y413-F698 HydrophobicContact CG-CB 4Å; Y413-F698 HydrophobicContact CG-CD2 4.45Å; Y413-F698 VanDerWaalsContact O-CD2 3.31Å; Y413-F698 WeakPolarHBondContact O-CD2 3.35Å; P416-F698 HydrophobicContact CG-CE2 3.57Å; P416-F698 HydrophobicContact CG-CZ 3.98Å; A695-F698 WeakPolarHBondContact O-CB 3.29Å; A695-F698 PolarHBondContact O-N 3.15Å; K696-F698 PolarHBondContact O-N 3.4Å; F698-M700 VanDerWaalsContact C-N 3.32Å; F698-M700 PolarHBondContact O-N 2.99Å
699	Y	97.3	Very high	95.9	Very high	13 Å²	13	38.2 Å²	38.2	5%	0.051	20%	0.202	C	C	.	.	S	Bend	trans	-74.7	-12.7	-165.2	-72.6	-68.9	0	0	0	115.4	D292 A695 S705 M711 C714 L718	D292-Y699 HydrophobicContact CB-CE1 4.17Å; A695-Y699 WeakPolarHBondContact O-CD2 3.01Å; A695-Y699 WeakPolarHBondContact O-CE2 3.35Å; Y699-S705 WeakPolarHBondContact O-CB 3.36Å; Y699-M711 HydrophobicContact CD1-CE 4.14Å; Y699-M711 HydrophobicContact CD1-SD 3.6Å; Y699-M711 VanDerWaalsContact CD1-SD 3.6Å; Y699-M711 HydrophobicContact CE1-SD 4.49Å; Y699-M711 HydrophobicContact CG-SD 4.38Å; Y699-M711 WeakPolarHBondContact O-CB 3.32Å; Y699-M711 WeakPolarHBondContact O-CG 3.42Å; Y699-C714 HydrophobicContact CD1-CB 3.9Å; Y699-C714 HydrophobicContact CD2-CB 3.83Å; Y699-C714 HydrophobicContact CE1-CB 3.91Å; Y699-C714 HydrophobicContact CE2-CB 3.87Å; Y699-C714 HydrophobicContact CG-CB 3.86Å; Y699-L718 HydrophobicContact CD2-CD1 3.87Å; Y699-L718 HydrophobicContact CE2-CD1 3.6Å; Y699-L718 HydrophobicContact CE2-CG 4.5Å
700	M	97	Very high	95.9	Very high	68 Å²	68	35.3 Å²	35.3	34%	0.335	18%	0.184	S	C	.	.			trans	-135.1	83.3	-174.2	-76.2	-173.1	171.7	0	0	111.9	F698 R706 A712 V715	F698-M700 VanDerWaalsContact C-N 3.32Å; F698-M700 PolarHBondContact O-N 2.99Å; M700-R706 HydrophobicContact CB-CG 3.96Å; M700-R706 HydrophobicContact CG-CG 4.36Å; M700-A712 HydrophobicContact CE-CB 3.59Å; M700-V715 HydrophobicContact CE-CG2 4.38Å; M700-V715 HydrophobicContact CG-CG2 4.25Å; M700-V715 HydrophobicContact SD-CG2 4.22Å
701	T	96.6	Very high	96	Very high	46 Å²	46	35.1 Å²	35.1	28%	0.282	18%	0.183	S	C	.	.	S	Bend	trans	-114.4	-30.1	-173	47.4	0	0	0	0	114.7	K293 S705 R706	K293-T701 WeakPolarHBondContact CE-OG1 3.32Å; K293-T701 VanDerWaalsContact NZ-CG2 3.27Å; K293-T701 PolarHBondContact NZ-OG1 3.43Å; T701-S705 PolarHBondContact N-OG 3.21Å; T701-R706 PolarHBondContact O-NH1 2.95Å
702	D	97.3	Very high	96.1	Very high	18 Å²	18	33.9 Å²	33.9	10%	0.096	18%	0.179	C	C	.	.	S	Bend	trans	-134.3	172.9	-172.5	60.5	75.5	0	0	0	109.5	M349 I704 S705 R706	M349-D702 HydrophobicContact CE-CB 4.1Å; M349-D702 HydrophobicContact SD-CB 4.17Å; D702-I704 VanDerWaalsContact C-N 3.26Å; D702-I704 PolarHBondContact O-N 3.05Å; D702-I704 WeakPolarHBondContact OD1-CA 3.22Å; D702-I704 VanDerWaalsContact OD1-CB 3.32Å; D702-I704 WeakPolarHBondContact OD1-CB 3.28Å; D702-I704 PolarHBondContact OD1-N 3.16Å; D702-S705 PolarHBondContact N-OG 3.4Å; D702-S705 PolarHBondContact O-N 3.44Å; D702-S705 PolarHBondContact O-OG 3.25Å; D702-S705 PolarHBondContact OD1-N 3.41Å; D702-S705 PolarHBondContact OD1-OG 3.38Å; D702-S705 PolarHBondContact OD2-OG 2.96Å; D702-R706 WeakPolarHBondContact O-CB 3.49Å; D702-R706 VanDerWaalsContact O-CG 3.32Å; D702-R706 WeakPolarHBondContact O-CG 3.45Å; D702-R706 PolarHBondContact O-N 2.96Å
703	S	97.7	Very high	96.1	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-67	-25.9	-174.5	64.5	0	0	0	0	113.6	M349 H575 A707	M349-S703 VanDerWaalsContact CE-OG 3.24Å; M349-S703 WeakPolarHBondContact CE-OG 3.48Å; H575-S703 PolarHBondContact CE1-OG 3.01Å; S703-A707 VanDerWaalsContact O-CB 3.29Å; S703-A707 WeakPolarHBondContact O-CB 3.41Å; S703-A707 PolarHBondContact O-N 2.83Å
704	I	98.4	Very high	96.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-74.3	-50.4	177	-50.8	178.2	0	0	0	109.4	L258 A297 L301 M349 Y593 D702 R706 A707 S708	L258-I704 HydrophobicContact CD2-CB 4.14Å; L258-I704 HydrophobicContact CD2-CD1 4.12Å; A297-I704 HydrophobicContact CB-CG2 4.35Å; A297-I704 WeakPolarHBondContact O-CG2 3.27Å; L301-I704 HydrophobicContact CD2-CD1 3.87Å; L301-I704 HydrophobicContact CD2-CG1 4.33Å; L301-I704 HydrophobicContact CD2-CG2 4.04Å; L301-I704 HydrophobicContact CG-CG2 4.04Å; M349-I704 HydrophobicContact CE-CD1 4.33Å; M349-I704 HydrophobicContact CE-CG1 4.03Å; M349-I704 HydrophobicContact SD-CD1 3.59Å; M349-I704 VanDerWaalsContact SD-CD1 3.59Å; M349-I704 HydrophobicContact SD-CG1 3.86Å; Y593-I704 HydrophobicContact CD1-CD1 3.68Å; Y593-I704 HydrophobicContact CE1-CD1 3.82Å; D702-I704 VanDerWaalsContact C-N 3.26Å; D702-I704 PolarHBondContact O-N 3.05Å; D702-I704 WeakPolarHBondContact OD1-CA 3.22Å; D702-I704 VanDerWaalsContact OD1-CB 3.32Å; D702-I704 WeakPolarHBondContact OD1-CB 3.28Å; D702-I704 PolarHBondContact OD1-N 3.16Å; I704-R706 VanDerWaalsContact C-N 3.32Å; I704-R706 PolarHBondContact O-N 3.46Å; I704-A707 PolarHBondContact O-N 3Å; I704-S708 PolarHBondContact O-N 2.92Å
705	S	98.1	Very high	96.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66	-33.4	-179.9	57.2	0	0	0	0	112.3	Y699 T701 D702 S708 M711	Y699-S705 WeakPolarHBondContact O-CB 3.36Å; T701-S705 PolarHBondContact N-OG 3.21Å; D702-S705 PolarHBondContact N-OG 3.4Å; D702-S705 PolarHBondContact O-N 3.44Å; D702-S705 PolarHBondContact O-OG 3.25Å; D702-S705 PolarHBondContact OD1-N 3.41Å; D702-S705 PolarHBondContact OD1-OG 3.38Å; D702-S705 PolarHBondContact OD2-OG 2.96Å; S705-S708 WeakPolarHBondContact O-CB 3.21Å; S705-S708 PolarHBondContact O-N 3.32Å; S705-M711 VanDerWaalsContact O-CB 3.31Å; S705-M711 WeakPolarHBondContact O-CB 3.46Å
706	R	97.9	Very high	96.3	Very high	72 Å²	72	34.8 Å²	34.8	27%	0.272	17%	0.172	S	C	.	.	H	α-helix	trans	-69.3	-34.8	171.8	-73.1	-171.3	-62	-99.6	7.3	113.7	D555 D578 M700 T701 D702 I704 S708	D555-R706 PolarHBondContact O-NH2 3.23Å; D578-R706 IonicContact OD2-CZ 2.78Å; D578-R706 IonicContact OD2-NE 3.56Å; D578-R706 PolarHBondContact OD2-NE 3.15Å; D578-R706 IonicContact OD2-NH2 2.64Å; D578-R706 PolarHBondContact OD2-NH2 2.83Å; M700-R706 HydrophobicContact CB-CG 3.96Å; M700-R706 HydrophobicContact CG-CG 4.36Å; T701-R706 PolarHBondContact O-NH1 2.95Å; D702-R706 WeakPolarHBondContact O-CB 3.49Å; D702-R706 VanDerWaalsContact O-CG 3.32Å; D702-R706 WeakPolarHBondContact O-CG 3.45Å; D702-R706 PolarHBondContact O-N 2.96Å; I704-R706 VanDerWaalsContact C-N 3.32Å; I704-R706 PolarHBondContact O-N 3.46Å; R706-S708 VanDerWaalsContact C-N 3.32Å
707	A	97.8	Very high	96.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-77.9	-15.8	176.4	0	0	0	0	0	113.6	R303 S703 I704	R303-A707 PolarHBondContact NH1-O 3.35Å; S703-A707 VanDerWaalsContact O-CB 3.29Å; S703-A707 WeakPolarHBondContact O-CB 3.41Å; S703-A707 PolarHBondContact O-N 2.83Å; I704-A707 PolarHBondContact O-N 3Å
708	S	98.1	Very high	96	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	15%	0.148	C	C	.	.			trans	-67.4	129.2	-179.8	170.5	0	0	0	0	112.7	D299 I704 S705 R706 T710 M711 A712	D299-S708 VanDerWaalsContact CG-OG 3.23Å; D299-S708 WeakPolarHBondContact OD1-CB 3.22Å; D299-S708 PolarHBondContact OD1-OG 2.69Å; D299-S708 PolarHBondContact OD2-OG 3.15Å; I704-S708 PolarHBondContact O-N 2.92Å; S705-S708 WeakPolarHBondContact O-CB 3.21Å; S705-S708 PolarHBondContact O-N 3.32Å; R706-S708 VanDerWaalsContact C-N 3.32Å; S708-T710 VanDerWaalsContact C-N 3.34Å; S708-T710 PolarHBondContact OG-N 2.98Å; S708-M711 WeakPolarHBondContact OG-CG 3.43Å; S708-M711 PolarHBondContact OG-N 3.08Å; S708-A712 PolarHBondContact O-N 2.92Å
709	Q	96.9	Very high	95.4	Very high	97 Å²	97	32.9 Å²	32.9	45%	0.453	17%	0.17	S	C	.	.	H	α-helix	trans	-71.9	-35.4	172.3	-70.1	-176.8	-11.6	0	0	110.9	D299 R303 A712 K713	D299-Q709 PolarHBondContact OD2-N 3.17Å; D299-Q709 VanDerWaalsContact OD2-N 3.1Å; R303-Q709 VanDerWaalsContact CZ-NE2 3.29Å; Q709-A712 PolarHBondContact O-N 3.48Å; Q709-K713 WeakPolarHBondContact O-CG 3.44Å; Q709-K713 PolarHBondContact O-N 3.48Å
710	T	96.7	Very high	94.8	Very high	14 Å²	14	38.2 Å²	38.2	9%	0.086	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-45.6	179.9	-56.3	0	0	0	0	110.7	L172 P239 F296 D299 S708 A712 K713 C714	L172-T710 HydrophobicContact CD2-CG2 3.57Å; P239-T710 HydrophobicContact CB-CG2 4.41Å; P239-T710 HydrophobicContact CG-CG2 3.6Å; F296-T710 HydrophobicContact CB-CG2 3.85Å; F296-T710 HydrophobicContact CG-CG2 4.39Å; D299-T710 WeakPolarHBondContact OD2-CB 3.44Å; D299-T710 PolarHBondContact OD2-N 3.2Å; D299-T710 PolarHBondContact OD2-OG1 3.13Å; S708-T710 VanDerWaalsContact C-N 3.34Å; S708-T710 PolarHBondContact OG-N 2.98Å; T710-A712 VanDerWaalsContact C-N 3.33Å; T710-A712 PolarHBondContact O-N 2.67Å; T710-K713 WeakPolarHBondContact O-CB 3.11Å; T710-K713 PolarHBondContact O-N 2.7Å; T710-C714 PolarHBondContact O-N 2.64Å; T710-C714 PolarHBondContact O-SG 2.88Å; T710-C714 VanDerWaalsContact O-SG 3.37Å
711	M	97.4	Very high	93.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-40.8	174.6	-62.2	-58.6	89.5	0	0	111.6	K293 F296 A297 Y699 S705 S708 K713 C714 V715	K293-M711 HydrophobicContact CB-SD 4.47Å; K293-M711 HydrophobicContact CG-SD 4.33Å; F296-M711 HydrophobicContact CB-CE 3.6Å; A297-M711 HydrophobicContact CB-CG 4.49Å; Y699-M711 HydrophobicContact CD1-CE 4.14Å; Y699-M711 HydrophobicContact CD1-SD 3.6Å; Y699-M711 VanDerWaalsContact CD1-SD 3.6Å; Y699-M711 HydrophobicContact CE1-SD 4.49Å; Y699-M711 HydrophobicContact CG-SD 4.38Å; Y699-M711 WeakPolarHBondContact O-CB 3.32Å; Y699-M711 WeakPolarHBondContact O-CG 3.42Å; S705-M711 VanDerWaalsContact O-CB 3.31Å; S705-M711 WeakPolarHBondContact O-CB 3.46Å; S708-M711 WeakPolarHBondContact OG-CG 3.43Å; S708-M711 PolarHBondContact OG-N 3.08Å; M711-K713 PolarHBondContact O-N 2.86Å; M711-C714 WeakPolarHBondContact O-CB 3.42Å; M711-C714 PolarHBondContact O-N 2.82Å; M711-V715 WeakPolarHBondContact O-CG2 3.21Å; M711-V715 PolarHBondContact O-N 3.44Å
712	A	95.8	Very high	92.5	Very high	43 Å²	43	35.3 Å²	35.3	36%	0.355	19%	0.19	S	C	.	.	H	α-helix	trans	-61.7	-40.7	174.1	0	0	0	0	0	112.9	M700 S708 Q709 T710 V715 K716	M700-A712 HydrophobicContact CE-CB 3.59Å; S708-A712 PolarHBondContact O-N 2.92Å; Q709-A712 PolarHBondContact O-N 3.48Å; T710-A712 VanDerWaalsContact C-N 3.33Å; T710-A712 PolarHBondContact O-N 2.67Å; A712-V715 PolarHBondContact O-N 3.21Å; A712-K716 WeakPolarHBondContact O-CB 3.4Å; A712-K716 PolarHBondContact O-N 2.84Å
713	K	94.8	Very high	91.2	Very high	75 Å²	75	38.3 Å²	38.3	33%	0.326	22%	0.217	S	C	.	.	H	α-helix	trans	-63.4	-42.2	172.8	-73.9	176.3	175.7	-175.8	0	111.1	Q709 T710 M711 K716 A717 V725 E727	Q709-K713 WeakPolarHBondContact O-CG 3.44Å; Q709-K713 PolarHBondContact O-N 3.48Å; T710-K713 WeakPolarHBondContact O-CB 3.11Å; T710-K713 PolarHBondContact O-N 2.7Å; M711-K713 PolarHBondContact O-N 2.86Å; K713-K716 PolarHBondContact O-N 3.38Å; K713-A717 VanDerWaalsContact O-CB 3.25Å; K713-A717 WeakPolarHBondContact O-CB 3.4Å; K713-A717 PolarHBondContact O-N 3.05Å; K713-V725 HydrophobicContact CB-CG1 4.23Å; K713-V725 HydrophobicContact CG-CG1 4.45Å; K713-E727 IonicContact NZ-OE1 2.79Å; K713-E727 PolarHBondContact NZ-OE1 3.3Å
714	C	94.6	Very high	89.7	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.02	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-48.2	174.8	-68.9	0	0	0	0	112.1	L172 Y699 T710 M711 K716 A717 L718	L172-C714 WeakPolarHBondContact CD2-SG 3.23Å; Y699-C714 HydrophobicContact CD1-CB 3.9Å; Y699-C714 HydrophobicContact CD2-CB 3.83Å; Y699-C714 HydrophobicContact CE1-CB 3.91Å; Y699-C714 HydrophobicContact CE2-CB 3.87Å; Y699-C714 HydrophobicContact CG-CB 3.86Å; T710-C714 PolarHBondContact O-N 2.64Å; T710-C714 PolarHBondContact O-SG 2.88Å; T710-C714 VanDerWaalsContact O-SG 3.37Å; M711-C714 WeakPolarHBondContact O-CB 3.42Å; M711-C714 PolarHBondContact O-N 2.82Å; C714-K716 PolarHBondContact O-N 2.79Å; C714-A717 PolarHBondContact O-N 3.19Å; C714-L718 WeakPolarHBondContact O-CG 3.47Å; C714-L718 PolarHBondContact O-N 2.91Å
715	V	94.6	Very high	88.3	Confident	24 Å²	24	40.7 Å²	40.7	15%	0.145	24%	0.235	C	C	.	.	H	α-helix	trans	-57.9	-48.1	176.6	168.4	0	0	0	0	110.9	K696 M700 M711 A712 A717 L718 T719	K696-V715 HydrophobicContact CG-CG1 4.03Å; M700-V715 HydrophobicContact CE-CG2 4.38Å; M700-V715 HydrophobicContact CG-CG2 4.25Å; M700-V715 HydrophobicContact SD-CG2 4.22Å; M711-V715 WeakPolarHBondContact O-CG2 3.21Å; M711-V715 PolarHBondContact O-N 3.44Å; A712-V715 PolarHBondContact O-N 3.21Å; V715-A717 VanDerWaalsContact C-N 3.34Å; V715-A717 PolarHBondContact O-N 3.01Å; V715-L718 PolarHBondContact O-N 2.94Å; V715-T719 PolarHBondContact O-N 3.47Å; V715-T719 VanDerWaalsContact O-N 3.15Å; V715-T719 PolarHBondContact O-OG1 3.35Å
716	K	93.2	Very high	86.7	Confident	87 Å²	87	44.4 Å²	44.4	38%	0.378	26%	0.255	S	S	.	.	H	α-helix	trans	-61.3	-42.8	178.3	-172.2	-177	178.9	-159.8	0	111.8	A712 K713 C714 L718 T719 E720 A724 V725	A712-K716 WeakPolarHBondContact O-CB 3.4Å; A712-K716 PolarHBondContact O-N 2.84Å; K713-K716 PolarHBondContact O-N 3.38Å; C714-K716 PolarHBondContact O-N 2.79Å; K716-L718 VanDerWaalsContact C-N 3.31Å; K716-L718 PolarHBondContact O-N 2.85Å; K716-T719 WeakPolarHBondContact CA-OG1 3.39Å; K716-T719 PolarHBondContact O-N 3.38Å; K716-T719 PolarHBondContact O-OG1 2.95Å; K716-E720 WeakPolarHBondContact CE-OE2 3.15Å; K716-E720 HydrophobicContact CG-CG 4.49Å; K716-E720 IonicContact NZ-OE2 2.83Å; K716-E720 WeakPolarHBondContact O-CB 3.37Å; K716-E720 PolarHBondContact O-N 2.86Å; K716-A724 WeakPolarHBondContact CE-O 3.31Å; K716-A724 PolarHBondContact NZ-O 2.76Å; K716-V725 HydrophobicContact CB-CG1 3.99Å; K716-V725 HydrophobicContact CD-CG1 3.87Å; K716-V725 HydrophobicContact CG-CG1 4.08Å
717	A	90.2	Very high	84.7	Confident	2 Å²	2	47.5 Å²	47.5	2%	0.017	27%	0.272	C	S	.	.	H	α-helix	trans	-70	-29.5	-177.8	0	0	0	0	0	112.6	P171 M217 K713 C714 V715 G721 V725	P171-A717 HydrophobicContact CG-CB 4.03Å; M217-A717 HydrophobicContact CE-CB 3.42Å; M217-A717 VanDerWaalsContact CE-CB 3.42Å; M217-A717 HydrophobicContact SD-CB 4.39Å; K713-A717 VanDerWaalsContact O-CB 3.25Å; K713-A717 WeakPolarHBondContact O-CB 3.4Å; K713-A717 PolarHBondContact O-N 3.05Å; C714-A717 PolarHBondContact O-N 3.19Å; V715-A717 VanDerWaalsContact C-N 3.34Å; V715-A717 PolarHBondContact O-N 3.01Å; A717-G721 CarbonylContact O-C 3.23Å; A717-G721 VanDerWaalsContact O-C 3.23Å; A717-G721 WeakPolarHBondContact O-CA 3.35Å; A717-G721 PolarHBondContact O-N 2.83Å; A717-V725 HydrophobicContact CB-CB 4.43Å; A717-V725 HydrophobicContact CB-CG1 4.09Å; A717-V725 HydrophobicContact CB-CG2 3.49Å; A717-V725 VanDerWaalsContact CB-CG2 3.49Å
718	L	87.8	Confident	82.1	Confident	47 Å²	47	52.9 Å²	52.9	25%	0.246	31%	0.307	C	S	.	.	H	α-helix	trans	-70.2	-33.7	170.5	-73.8	176.7	0	0	0	112.9	M217 M219 A695 K696 Y699 C714 V715 K716	M217-L718 HydrophobicContact SD-CD2 4.49Å; M219-L718 HydrophobicContact CG-CD2 4.05Å; M219-L718 HydrophobicContact SD-CD2 3.6Å; A695-L718 VanDerWaalsContact C-CD1 3.46Å; A695-L718 HydrophobicContact CB-CD1 3.73Å; A695-L718 HydrophobicContact CB-CD2 4.34Å; K696-L718 HydrophobicContact CB-CD1 4.42Å; Y699-L718 HydrophobicContact CD2-CD1 3.87Å; Y699-L718 HydrophobicContact CE2-CD1 3.6Å; Y699-L718 HydrophobicContact CE2-CG 4.5Å; C714-L718 WeakPolarHBondContact O-CG 3.47Å; C714-L718 PolarHBondContact O-N 2.91Å; V715-L718 PolarHBondContact O-N 2.94Å; K716-L718 VanDerWaalsContact C-N 3.31Å; K716-L718 PolarHBondContact O-N 2.85Å
719	T	85.7	Confident	79.2	Confident	75 Å²	75	57.6 Å²	57.6	46%	0.46	34%	0.34	S	S	.	.	H	α-helix	trans	-85.8	-34.3	-178.6	51.5	0	0	0	0	113.7	K696 V715 K716	K696-T719 HydrophobicContact CD-CG2 3.92Å; V715-T719 PolarHBondContact O-N 3.47Å; V715-T719 VanDerWaalsContact O-N 3.15Å; V715-T719 PolarHBondContact O-OG1 3.35Å; K716-T719 WeakPolarHBondContact CA-OG1 3.39Å; K716-T719 PolarHBondContact O-N 3.38Å; K716-T719 PolarHBondContact O-OG1 2.95Å
720	E	84.8	Confident	76.1	Confident	125 Å²	125	59.9 Å²	59.9	58%	0.584	36%	0.361	S	S	*	.	H	α-helix	trans	-117.4	-5.3	-170.5	-61.8	173.7	-156.3	0	0	113.3	K716 A724	K716-E720 WeakPolarHBondContact CE-OE2 3.15Å; K716-E720 HydrophobicContact CG-CG 4.49Å; K716-E720 IonicContact NZ-OE2 2.83Å; K716-E720 WeakPolarHBondContact O-CB 3.37Å; K716-E720 PolarHBondContact O-N 2.86Å; E720-A724 HydrophobicContact CB-CB 3.47Å; E720-A724 VanDerWaalsContact CB-CB 3.47Å
721	G	76.1	Confident	72.8	Confident	33 Å²	33	67.9 Å²	67.9	34%	0.34	42%	0.415	S	S	.	.			trans	92.2	163.7	-176.3	0	0	0	0	0	113.9	A717 A723 A724	A717-G721 CarbonylContact O-C 3.23Å; A717-G721 VanDerWaalsContact O-C 3.23Å; A717-G721 WeakPolarHBondContact O-CA 3.35Å; A717-G721 PolarHBondContact O-N 2.83Å; G721-A723 VanDerWaalsContact C-N 3.31Å; G721-A723 PolarHBondContact O-N 2.85Å; G721-A724 WeakPolarHBondContact O-CB 3.48Å; G721-A724 PolarHBondContact O-N 2.7Å; G721-A724 VanDerWaalsContact O-N 3.16Å
722	A	68.8	Low	71.6	Confident	21 Å²	21	71.3 Å²	71.3	17%	0.174	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-60.4	-37.4	-175.7	0	0	0	0	0	113.4	M217 A724 V725	M217-A722 HydrophobicContact CE-CB 3.58Å; A722-A724 PolarHBondContact O-N 3.32Å; A722-V725 WeakPolarHBondContact O-CG2 3.37Å; A722-V725 PolarHBondContact O-N 3.38Å
723	A	69.1	Low	70.3	Confident	80 Å²	80	72.7 Å²	72.7	66%	0.661	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-64.7	-22.1	179.9	0	0	0	0	0	113.3	G721 V725 D726	G721-A723 VanDerWaalsContact C-N 3.31Å; G721-A723 PolarHBondContact O-N 2.85Å; A723-V725 PolarHBondContact O-N 3.43Å; A723-D726 PolarHBondContact O-N 2.9Å
724	A	67.3	Low	68.9	Low	32 Å²	32	72.6 Å²	72.6	26%	0.264	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-73.2	-11.2	-178.4	0	0	0	0	0	113.9	K716 E720 G721 A722	K716-A724 WeakPolarHBondContact CE-O 3.31Å; K716-A724 PolarHBondContact NZ-O 2.76Å; E720-A724 HydrophobicContact CB-CB 3.47Å; E720-A724 VanDerWaalsContact CB-CB 3.47Å; G721-A724 WeakPolarHBondContact O-CB 3.48Å; G721-A724 PolarHBondContact O-N 2.7Å; G721-A724 VanDerWaalsContact O-N 3.16Å; A722-A724 PolarHBondContact O-N 3.32Å
725	V	68.9	Low	67.4	Low	22 Å²	22	76.7 Å²	76.7	13%	0.133	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-119.1	3.9	179.6	-73.1	0	0	0	0	113.2	P171 K713 K716 A717 A722 A723 E727	P171-V725 HydrophobicContact CB-CG2 4.13Å; K713-V725 HydrophobicContact CB-CG1 4.23Å; K713-V725 HydrophobicContact CG-CG1 4.45Å; K716-V725 HydrophobicContact CB-CG1 3.99Å; K716-V725 HydrophobicContact CD-CG1 3.87Å; K716-V725 HydrophobicContact CG-CG1 4.08Å; A717-V725 HydrophobicContact CB-CB 4.43Å; A717-V725 HydrophobicContact CB-CG1 4.09Å; A717-V725 HydrophobicContact CB-CG2 3.49Å; A717-V725 VanDerWaalsContact CB-CG2 3.49Å; A722-V725 WeakPolarHBondContact O-CG2 3.37Å; A722-V725 PolarHBondContact O-N 3.38Å; A723-V725 PolarHBondContact O-N 3.43Å; V725-E727 PolarHBondContact O-N 3.36Å; V725-E727 VanDerWaalsContact O-N 3.17Å
726	D	65.1	Low	65.7	Low	79 Å²	79	80 Å²	80	42%	0.422	49%	0.491	S	S	.	.			trans	-67.3	115.8	171.8	-74.1	-24	0	0	0	108.5	N168 A723	N168-D726 PolarHBondContact ND2-OD1 2.77Å; N168-D726 PolarHBondContact ND2-OD2 3.48Å; A723-D726 PolarHBondContact O-N 2.9Å
727	E	55.6	Low	63.9	Low	136 Å²	136	79.5 Å²	79.5	64%	0.636	50%	0.499	S	S	*	.			trans	-66.4	138.2	167.3	-73	177.9	-170.7	0	0	107.7	K713 V725 S729	K713-E727 IonicContact NZ-OE1 2.79Å; K713-E727 PolarHBondContact NZ-OE1 3.3Å; V725-E727 PolarHBondContact O-N 3.36Å; V725-E727 VanDerWaalsContact O-N 3.17Å; E727-S729 PolarHBondContact O-N 3.34Å; E727-S729 VanDerWaalsContact O-N 3.08Å
728	P	42	Very low	62	Low	115 Å²	115	85.1 Å²	85.1	75%	0.747	53%	0.533	S	S	*	.			trans	-53.8	125.5	174.9	22.2	-30.8	0	0	0	107.4	V730	P728-V730 PolarHBondContact O-N 3.48Å
729	S	37.8	Very low	60	Low	99 Å²	99	88 Å²	88	69%	0.692	56%	0.556	S	S	*	*			trans	-49.8	109.3	176.5	54	0	0	0	0	107.8	E727 C731	E727-S729 PolarHBondContact O-N 3.34Å; E727-S729 VanDerWaalsContact O-N 3.08Å; S729-C731 PolarHBondContact O-N 3.36Å
730	V	31.6	Very low	57.9	Low	146 Å²	146	89.1 Å²	89.1	89%	0.885	56%	0.563	S	S	*	*			trans	-68.4	94.1	168.6	-177.1	0	0	0	0	104.6	P728	P728-V730 PolarHBondContact O-N 3.48Å
731	C	27.5	Very low	55.4	Low	181 Å²	181	85.8 Å²	85.8	100%	1.223	56%	0.562	S	S	*	*			trans	-61.3	0	171.6	-74.6	0	0	0	0	110.9	S729	S729-C731 PolarHBondContact O-N 3.36Å

Retrieved 731 of 731 residues in 283.1 ms (Link to these results)

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