A0A087XHX4_POEFO Loading...

Mannose-6-phosphate isomerase

Isomerase that catalyzes the interconversion of fructose-6-P and mannose-6-P and has a critical role in the supply of D-mannose derivatives required for many eukaryotic glycosylation reactions.

AlphaFold DB , UniProt , Accession A0A087XHX4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 446 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	36.1	Very low	236 Å²	236	197.1 Å²	197.1	100%	1.163	91%	0.91	S	S	*	*				0	115.2	0	-100.9	167.7	152	0	0	110.2
2	K	37.6	Very low	35.9	Very low	201 Å²	201	186.4 Å²	186.4	87%	0.874	89%	0.893	S	S	*	*			trans	60.8	99.3	146.6	-63.9	-177.6	175.1	-178.9	0	121
3	K	35.3	Very low	36.2	Very low	212 Å²	212	183.8 Å²	183.8	92%	0.922	89%	0.887	S	S	*	*	P	Polyproline II helix	trans	-55.3	138.7	153.9	-71.4	173.4	171.4	177.1	0	111.5
4	R	34.6	Very low	36.7	Very low	243 Å²	243	181.2 Å²	181.2	92%	0.917	89%	0.888	S	S	*	*	P	Polyproline II helix	trans	-72	142.4	172	-73.8	179.6	172.6	-175.5	-2.6	111.4
5	P	41.5	Very low	37	Very low	123 Å²	123	175.1 Å²	175.1	80%	0.799	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-90.2	146.1	179.3	34.5	-30.2	0	0	0	112.6
6	R	35.3	Very low	37.4	Very low	246 Å²	246	171.9 Å²	171.9	93%	0.928	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-70.3	131.7	171.3	-75.3	177.3	169	179.5	-4.7	110.3
7	R	35.1	Very low	37.3	Very low	253 Å²	253	168.9 Å²	168.9	96%	0.955	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-77.7	125.7	165.6	-81	-178.4	170.2	-171.2	-3.6	109.2
8	R	32.9	Very low	37.4	Very low	249 Å²	249	169.1 Å²	169.1	94%	0.94	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-82	126.2	161.9	-81.2	179.4	169.8	179.1	-4.4	107.9
9	S	32.3	Very low	37.3	Very low	110 Å²	110	163.6 Å²	163.6	77%	0.769	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-89.3	126.1	165.5	52.1	0	0	0	0	109.1
10	L	41.2	Very low	37.2	Very low	184 Å²	184	160.1 Å²	160.1	96%	0.963	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-76.8	117.5	162.1	-77.2	148.3	0	0	0	107.5
11	S	34.4	Very low	37.3	Very low	111 Å²	111	157.2 Å²	157.2	78%	0.776	80%	0.8	S	S	*	*			trans	-122.7	109.1	159.6	53.1	0	0	0	0	106.3
12	G	34	Very low	37.5	Very low	69 Å²	69	150.7 Å²	150.7	71%	0.711	77%	0.773	S	S	*	*			trans	-68.5	148.2	176.8	0	0	0	0	0	111.7
13	D	40.5	Very low	37.8	Very low	152 Å²	152	143.8 Å²	143.8	81%	0.813	75%	0.754	S	S	*	*			trans	-53.9	124.9	179	-74.6	-51.9	0	0	0	113.3
14	V	42.2	Very low	38.1	Very low	148 Å²	148	136 Å²	136	90%	0.897	73%	0.729	S	S	*	*			trans	-133.5	67	156.8	-170.7	0	0	0	0	106.6
15	S	41.8	Very low	38.6	Very low	90 Å²	90	129 Å²	129	63%	0.629	71%	0.708	S	S	*	*			trans	-155.7	44.8	178.4	65.8	0	0	0	0	113.1
16	N	43.1	Very low	39.1	Very low	123 Å²	123	129.2 Å²	129.2	66%	0.658	70%	0.698	S	S	*	*	S	Bend	trans	-140.9	24.5	175.4	-137.9	22.5	0	0	0	115.5	S19	N16-S19 PolarHBondContact OD1-OG 2.94Å
17	V	36.7	Very low	40.5	Very low	122 Å²	122	123.7 Å²	123.7	74%	0.739	68%	0.683	S	S	*	*	S	Bend	trans	-112.9	-16.3	174.1	-170	0	0	0	0	112.2
18	Q	37.7	Very low	42.7	Very low	172 Å²	172	112 Å²	112	80%	0.804	64%	0.64	S	S	*	*	H	α-helix	trans	-95.1	-19.2	178.9	-82.7	-179.1	-33.3	0	0	114.9	V22	Q18-V22 VanDerWaalsContact O-CG2 3.32Å; Q18-V22 WeakPolarHBondContact O-CG2 3.33Å
19	S	36.6	Very low	45.4	Very low	65 Å²	65	105.8 Å²	105.8	46%	0.455	62%	0.616	S	S	.	*	H	α-helix	trans	-84	-23.5	-177.1	45.9	0	0	0	0	113.5	N16	N16-S19 PolarHBondContact OD1-OG 2.94Å
20	V	34.6	Very low	48.4	Very low	92 Å²	92	100.8 Å²	100.8	56%	0.558	58%	0.581	S	S	*	*	H	α-helix	trans	-80.7	-35.2	-179.7	-171.9	0	0	0	0	111	A24	V20-A24 PolarHBondContact O-N 2.95Å
21	D	39.9	Very low	51	Low	100 Å²	100	92 Å²	92	54%	0.535	54%	0.535	S	S	.	.	H	α-helix	trans	-72.4	-32.2	178.2	-78	-24.5	0	0	0	113	M25	D21-M25 WeakPolarHBondContact O-CB 3.25Å; D21-M25 WeakPolarHBondContact O-CG 3.44Å; D21-M25 PolarHBondContact O-N 3.31Å; D21-M25 VanDerWaalsContact O-SD 3.38Å
22	V	40.6	Very low	54	Low	99 Å²	99	87.8 Å²	87.8	60%	0.6	51%	0.505	S	S	*	.	H	α-helix	trans	-76.1	-31.5	-178.7	-179.8	0	0	0	0	112.2	Q18	Q18-V22 VanDerWaalsContact O-CG2 3.32Å; Q18-V22 WeakPolarHBondContact O-CG2 3.33Å
23	A	42.9	Very low	57	Low	56 Å²	56	85 Å²	85	46%	0.463	47%	0.474	S	S	.	.	H	α-helix	trans	-80.8	-31.4	179.3	0	0	0	0	0	113.1
24	A	42.2	Very low	59.6	Low	49 Å²	49	80.9 Å²	80.9	41%	0.405	46%	0.455	S	S	.	.	H	α-helix	trans	-79.3	-20.5	176.9	0	0	0	0	0	113.2	V20 E26	V20-A24 PolarHBondContact O-N 2.95Å; A24-E26 VanDerWaalsContact C-N 3.31Å
25	M	45.4	Very low	62.2	Low	97 Å²	97	74.8 Å²	74.8	48%	0.478	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-1.1	177.3	-70.7	173.3	77.3	0	0	113.6	D21	D21-M25 WeakPolarHBondContact O-CB 3.25Å; D21-M25 WeakPolarHBondContact O-CG 3.44Å; D21-M25 PolarHBondContact O-N 3.31Å; D21-M25 VanDerWaalsContact O-SD 3.38Å
26	E	51.2	Low	64.9	Low	126 Å²	126	71.8 Å²	71.8	59%	0.589	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.8	172.4	-79.9	-175.2	152.5	0	0	114	A24	A24-E26 VanDerWaalsContact C-N 3.31Å
27	E	66	Low	67.5	Low	131 Å²	131	67.9 Å²	67.9	61%	0.612	38%	0.379	S	S	*	.			trans	-101.4	-9.9	-160.4	-71.8	-170.9	152.7	0	0	117.3	R29	E27-R29 PolarHBondContact O-N 3.44Å
28	V	81.1	Confident	70.4	Confident	7 Å²	7	63.8 Å²	63.8	4%	0.042	35%	0.352	C	S	.	.			trans	-93	113.9	-177	179.3	0	0	0	0	112.6	F31 I90 W98 A406 F408	V28-F31 HydrophobicContact CG1-CB 4.45Å; V28-F31 HydrophobicContact CG1-CD1 4.09Å; V28-I90 HydrophobicContact CG1-CD1 3.95Å; V28-W98 WeakPolarHBondContact O-CH2 3.5Å; V28-W98 WeakPolarHBondContact O-CZ2 3.41Å; V28-A406 CarbonylContact C-O 3.52Å; V28-A406 WeakPolarHBondContact CA-O 3.26Å; V28-F408 HydrophobicContact CB-CD2 4.08Å; V28-F408 HydrophobicContact CB-CE2 3.84Å; V28-F408 HydrophobicContact CB-CZ 4.16Å; V28-F408 HydrophobicContact CG1-CD2 4.04Å; V28-F408 HydrophobicContact CG1-CE2 4.21Å; V28-F408 HydrophobicContact CG2-CB 4.38Å; V28-F408 HydrophobicContact CG2-CD1 3.48Å; V28-F408 VanDerWaalsContact CG2-CD1 3.48Å; V28-F408 HydrophobicContact CG2-CD2 3.38Å; V28-F408 HydrophobicContact CG2-CE1 3.39Å; V28-F408 HydrophobicContact CG2-CE2 3.27Å; V28-F408 HydrophobicContact CG2-CG 3.46Å; V28-F408 VanDerWaalsContact CG2-CG 3.46Å; V28-F408 HydrophobicContact CG2-CZ 3.28Å
29	R	88.1	Confident	73.3	Confident	118 Å²	118	58.3 Å²	58.3	45%	0.445	33%	0.328	S	S	.	.			trans	-123.6	-3.3	-171.5	-62.3	173.3	-174.8	-178.5	4.5	112.5	E27 A406 S422 E425	E27-R29 PolarHBondContact O-N 3.44Å; R29-A406 HydrophobicContact CB-CB 3.92Å; R29-A406 PolarHBondContact N-O 3.18Å; R29-S422 WeakPolarHBondContact CA-OG 3.39Å; R29-S422 WeakPolarHBondContact CB-OG 3.4Å; R29-S422 WeakPolarHBondContact O-CB 3.35Å; R29-S422 PolarHBondContact O-N 3.27Å; R29-S422 PolarHBondContact O-OG 3.01Å; R29-E425 HydrophobicContact CB-CG 3.73Å; R29-E425 WeakPolarHBondContact CD-OE1 3.36Å; R29-E425 IonicContact CZ-OE1 2.89Å; R29-E425 IonicContact NE-OE1 3.76Å; R29-E425 IonicContact NH1-OE1 3.81Å; R29-E425 PolarHBondContact NH1-OE1 3.28Å
30	V	96.1	Very high	76.2	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.03	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	123.5	171.4	-179.6	0	0	0	0	109.6	A406 A407 F420 V421 E425 V427	V30-A406 HydrophobicContact CG2-CB 4.07Å; V30-A406 PolarHBondContact N-O 3.16Å; V30-A406 VanDerWaalsContact N-O 3.08Å; V30-A407 HydrophobicContact CB-CB 4.36Å; V30-F420 WeakPolarHBondContact CA-O 3.25Å; V30-V421 HydrophobicContact CG1-CG2 4.21Å; V30-V421 HydrophobicContact CG2-CB 4.47Å; V30-V421 HydrophobicContact CG2-CG1 4.07Å; V30-V421 HydrophobicContact CG2-CG2 4.46Å; V30-E425 HydrophobicContact CG2-CB 3.96Å; V30-E425 HydrophobicContact CG2-CG 4.49Å; V30-V427 HydrophobicContact CG1-CG2 4.03Å; V30-V427 HydrophobicContact CG2-CG2 4.37Å
31	F	96.3	Very high	79.1	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	153.4	-178.6	48.6	-96.2	0	0	0	112.9	V28 L33 I85 I90 L95 W98 F420	V28-F31 HydrophobicContact CG1-CB 4.45Å; V28-F31 HydrophobicContact CG1-CD1 4.09Å; F31-L33 HydrophobicContact CD2-CD2 4.13Å; F31-L33 HydrophobicContact CE2-CD2 3.93Å; F31-I85 HydrophobicContact CD2-CD1 4.41Å; F31-I85 HydrophobicContact CD2-CG1 4.19Å; F31-I85 HydrophobicContact CD2-CG2 3.81Å; F31-I85 HydrophobicContact CE2-CD1 3.74Å; F31-I85 HydrophobicContact CE2-CG1 3.75Å; F31-I85 HydrophobicContact CE2-CG2 4.19Å; F31-I85 HydrophobicContact CG-CG2 4.38Å; F31-I85 HydrophobicContact CZ-CD1 4.03Å; F31-I90 HydrophobicContact CB-CD1 3.71Å; F31-I90 HydrophobicContact CD1-CD1 3.55Å; F31-I90 HydrophobicContact CD2-CD1 4.2Å; F31-I90 HydrophobicContact CE1-CD1 4.16Å; F31-I90 HydrophobicContact CG-CD1 3.56Å; F31-L95 HydrophobicContact CE2-CD1 4.32Å; F31-L95 HydrophobicContact CZ-CD1 4.3Å; F31-W98 HydrophobicContact CE1-CD2 4Å; F31-W98 AromaticContact CE1-CE2 3.68Å; F31-W98 HydrophobicContact CE1-CG 4.35Å; F31-W98 HydrophobicContact CE1-CZ2 4.04Å; F31-W98 AromaticContact CE1-NE1 3.78Å; F31-W98 AromaticContact CZ-CD1 3.75Å; F31-W98 AromaticContact CZ-CD2 3.93Å; F31-W98 HydrophobicContact CZ-CD2 3.93Å; F31-W98 AromaticContact CZ-CE2 3.98Å; F31-W98 AromaticContact CZ-CG 3.83Å; F31-W98 HydrophobicContact CZ-CG 3.83Å; F31-W98 AromaticContact CZ-NE1 3.82Å; F31-F420 HydrophobicContact CD1-CD1 4.39Å; F31-F420 HydrophobicContact CD2-CB 4.12Å; F31-F420 AromaticContact CE1-CD1 3.63Å; F31-F420 HydrophobicContact CE1-CD1 3.63Å; F31-F420 HydrophobicContact CE1-CE1 4.22Å; F31-F420 HydrophobicContact CE2-CB 3.78Å; F31-F420 AromaticContact CE2-CD1 3.91Å; F31-F420 HydrophobicContact CE2-CD1 3.91Å; F31-F420 HydrophobicContact CE2-CG 4.12Å; F31-F420 HydrophobicContact CZ-CB 4.15Å; F31-F420 AromaticContact CZ-CD1 3.34Å; F31-F420 HydrophobicContact CZ-CD1 3.34Å; F31-F420 HydrophobicContact CZ-CE1 4.01Å; F31-F420 HydrophobicContact CZ-CG 4.01Å; F31-F420 PolarHBondContact N-O 3.04Å; F31-F420 VanDerWaalsContact N-O 3.13Å; F31-F420 PolarHBondContact O-N 2.98Å
32	P	96.7	Very high	81.9	Confident	23 Å²	23	56.6 Å²	56.6	15%	0.149	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	150.1	178.5	30.4	-35.2	0	0	0	112.9	K86 V411 V418 L419	P32-K86 HydrophobicContact CB-CB 4.13Å; P32-K86 HydrophobicContact CG-CB 4.03Å; P32-K86 WeakPolarHBondContact CG-O 3.36Å; P32-K86 PolarHBondContact O-N 3.39Å; P32-V411 HydrophobicContact CB-CG1 4.39Å; P32-V418 CarbonylContact C-O 2.79Å; P32-V418 WeakPolarHBondContact CA-O 3.46Å; P32-L419 HydrophobicContact CB-CD2 3.99Å
33	L	97.3	Very high	84.7	Confident	10 Å²	10	51.9 Å²	51.9	5%	0.052	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	147.3	177.6	-64.1	178.6	0	0	0	111.5	F31 A83 Q84 I85 L95 V418 F420	F31-L33 HydrophobicContact CD2-CD2 4.13Å; F31-L33 HydrophobicContact CE2-CD2 3.93Å; L33-A83 HydrophobicContact CB-CB 4.31Å; L33-A83 HydrophobicContact CD1-CB 4Å; L33-A83 HydrophobicContact CD2-CB 4.23Å; L33-A83 HydrophobicContact CG-CB 4.43Å; L33-Q84 CarbonylContact C-O 3.48Å; L33-Q84 WeakPolarHBondContact CA-O 3.47Å; L33-I85 HydrophobicContact CD2-CG1 4.33Å; L33-L95 HydrophobicContact CD1-CD2 4.12Å; L33-L95 HydrophobicContact CD2-CB 4.41Å; L33-V418 HydrophobicContact CB-CB 4.27Å; L33-V418 HydrophobicContact CB-CG1 4.11Å; L33-V418 HydrophobicContact CD1-CG1 4.12Å; L33-V418 PolarHBondContact N-O 3.1Å; L33-F420 HydrophobicContact CD1-CB 4.04Å; L33-F420 HydrophobicContact CD2-CB 4.36Å; L33-F420 HydrophobicContact CG-CB 4.18Å
34	T	96.1	Very high	87.3	Confident	66 Å²	66	50 Å²	50	41%	0.405	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.2	160.5	-56.1	0	0	0	0	108.3	Q84	T34-Q84 PolarHBondContact N-O 2.92Å; T34-Q84 PolarHBondContact O-N 3.13Å
35	C	96.9	Very high	90	Very high	20 Å²	20	50.6 Å²	50.6	14%	0.135	26%	0.264	C	S	.	.			trans	-102.7	150.6	-165.7	-68.7	0	0	0	0	112.5	L73 W74 M75	C35-L73 HydrophobicContact CB-CD1 3.71Å; C35-L73 HydrophobicContact CB-CG 4.12Å; C35-W74 WeakPolarHBondContact CB-O 3.24Å; C35-M75 HydrophobicContact CB-CG 4.06Å; C35-M75 VanDerWaalsContact SG-CG 3.57Å
36	A	96.8	Very high	92.5	Very high	27 Å²	27	46 Å²	46	22%	0.223	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.9	-176.6	0	0	0	0	0	110.9	L73 W74	A36-L73 CarbonylContact O-C 3.51Å; A36-W74 HydrophobicContact CB-CB 4.29Å; A36-W74 PolarHBondContact N-O 2.86Å; A36-W74 PolarHBondContact O-N 3.48Å
37	V	97.8	Very high	94.7	Very high	41 Å²	41	44.9 Å²	44.9	25%	0.248	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.8	177.1	177.1	0	0	0	0	109.1	V51 V55 Y70 E72 L73	V37-V51 HydrophobicContact CG1-CG1 4Å; V37-V55 HydrophobicContact CG2-CG2 3.48Å; V37-V55 VanDerWaalsContact CG2-CG2 3.48Å; V37-Y70 HydrophobicContact CG1-CD1 3.75Å; V37-Y70 HydrophobicContact CG1-CE1 4.35Å; V37-E72 CarbonylContact C-O 3.53Å; V37-E72 WeakPolarHBondContact CA-O 3.33Å; V37-L73 HydrophobicContact CG2-CD1 3.85Å
38	Q	98.2	Very high	96.2	Very high	36 Å²	36	44.4 Å²	44.4	17%	0.168	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.6	173.1	-55	-62.6	-15.6	0	0	110.1	Y40 A71 E72 W74	Q38-Y40 VanDerWaalsContact C-N 3.33Å; Q38-Y40 HydrophobicContact CB-CD2 3.81Å; Q38-Y40 HydrophobicContact CB-CE1 4.24Å; Q38-Y40 HydrophobicContact CB-CE2 3.48Å; Q38-Y40 VanDerWaalsContact CB-CE2 3.48Å; Q38-Y40 HydrophobicContact CB-CG 4.33Å; Q38-Y40 HydrophobicContact CG-CE2 3.88Å; Q38-Y40 PolarHBondContact O-N 2.98Å; Q38-A71 WeakPolarHBondContact O-CA 3.37Å; Q38-A71 VanDerWaalsContact O-CB 3.3Å; Q38-A71 WeakPolarHBondContact O-CB 3.12Å; Q38-A71 PolarHBondContact O-N 2.65Å; Q38-E72 HydrophobicContact CB-CB 4.02Å; Q38-E72 HydrophobicContact CB-CG 4.47Å; Q38-E72 HydrophobicContact CG-CB 4.26Å; Q38-E72 PolarHBondContact N-O 3.2Å; Q38-E72 PolarHBondContact O-N 2.68Å; Q38-W74 HydrophobicContact CG-CD2 4.23Å; Q38-W74 HydrophobicContact CG-CG 4.41Å; Q38-W74 HydrophobicContact CG-CZ2 4.19Å
39	N	97.8	Very high	97.1	Very high	57 Å²	57	44.1 Å²	44.1	31%	0.305	24%	0.239	S	C	.	.			trans	-95.7	48.8	-179.4	-59.8	124.4	0	0	0	111.9	K68 P69	N39-K68 HydrophobicContact CB-CG 4.48Å; N39-K68 VanDerWaalsContact CG-CE 3.45Å; N39-K68 WeakPolarHBondContact OD1-CE 3.46Å; N39-P69 VanDerWaalsContact CA-O 3.24Å; N39-P69 WeakPolarHBondContact CA-O 3.35Å; N39-P69 WeakPolarHBondContact CB-O 3.26Å; N39-P69 PolarHBondContact ND2-O 2.9Å
40	Y	97.6	Very high	97.6	Very high	88 Å²	88	39.2 Å²	39.2	35%	0.345	22%	0.221	S	C	.	.			trans	-66.1	144	179.5	-58.2	-46.1	0	0	0	111.7	Q38 W42 G43 P69 A71 E72	Q38-Y40 VanDerWaalsContact C-N 3.33Å; Q38-Y40 HydrophobicContact CB-CD2 3.81Å; Q38-Y40 HydrophobicContact CB-CE1 4.24Å; Q38-Y40 HydrophobicContact CB-CE2 3.48Å; Q38-Y40 VanDerWaalsContact CB-CE2 3.48Å; Q38-Y40 HydrophobicContact CB-CG 4.33Å; Q38-Y40 HydrophobicContact CG-CE2 3.88Å; Q38-Y40 PolarHBondContact O-N 2.98Å; Y40-W42 VanDerWaalsContact CB-NE1 3.34Å; Y40-W42 AromaticContact CD2-CE2 3.93Å; Y40-W42 AromaticContact CD2-CZ2 3.83Å; Y40-W42 HydrophobicContact CD2-CZ2 3.83Å; Y40-W42 AromaticContact CD2-NE1 3.67Å; Y40-W42 AromaticContact CG-NE1 3.82Å; Y40-W42 PolarHBondContact O-N 2.91Å; Y40-G43 PolarHBondContact O-N 3.41Å; Y40-P69 VanDerWaalsContact O-CB 3.29Å; Y40-P69 WeakPolarHBondContact O-CB 3.47Å; Y40-A71 HydrophobicContact CD2-CB 4.18Å; Y40-A71 HydrophobicContact CG-CB 4.38Å; Y40-E72 HydrophobicContact CD2-CG 4.19Å; Y40-E72 HydrophobicContact CE2-CG 4.27Å; Y40-E72 WeakPolarHBondContact CE2-OE2 3.42Å
41	A	97.2	Very high	97.7	Very high	94 Å²	94	39 Å²	39	78%	0.777	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.4	-173.7	0	0	0	0	0	115.1	G43	A41-G43 VanDerWaalsContact C-N 3.31Å
42	W	97.9	Very high	97.8	Very high	39 Å²	39	39 Å²	39	15%	0.148	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-10.7	178.3	58.9	-107.6	0	0	0	114	Y40 A71 E72 L125 V127 N128 T129 L131	Y40-W42 VanDerWaalsContact CB-NE1 3.34Å; Y40-W42 AromaticContact CD2-CE2 3.93Å; Y40-W42 AromaticContact CD2-CZ2 3.83Å; Y40-W42 HydrophobicContact CD2-CZ2 3.83Å; Y40-W42 AromaticContact CD2-NE1 3.67Å; Y40-W42 AromaticContact CG-NE1 3.82Å; Y40-W42 PolarHBondContact O-N 2.91Å; W42-A71 HydrophobicContact CD2-CB 4.08Å; W42-A71 HydrophobicContact CE3-CB 3.98Å; W42-A71 HydrophobicContact CH2-CB 3.6Å; W42-A71 WeakPolarHBondContact CH2-O 3.39Å; W42-A71 HydrophobicContact CZ2-CB 3.7Å; W42-A71 HydrophobicContact CZ3-CB 3.72Å; W42-E72 HydrophobicContact CH2-CG 3.5Å; W42-E72 HydrophobicContact CZ2-CG 3.55Å; W42-E72 VanDerWaalsContact CZ2-OE1 3.31Å; W42-E72 WeakPolarHBondContact CZ2-OE1 3.45Å; W42-L125 HydrophobicContact CH2-CB 4.45Å; W42-L125 HydrophobicContact CH2-CD2 4.4Å; W42-L125 HydrophobicContact CH2-CG 4.22Å; W42-V127 HydrophobicContact CE3-CB 4.5Å; W42-V127 HydrophobicContact CE3-CG1 4.45Å; W42-V127 HydrophobicContact CE3-CG2 4.35Å; W42-V127 HydrophobicContact CZ3-CB 4.34Å; W42-V127 HydrophobicContact CZ3-CG2 3.81Å; W42-N128 WeakPolarHBondContact O-CA 3.3Å; W42-N128 VanDerWaalsContact O-CB 3.24Å; W42-N128 WeakPolarHBondContact O-CB 3.17Å; W42-N128 PolarHBondContact O-N 2.79Å; W42-T129 WeakPolarHBondContact CA-OG1 3.28Å; W42-T129 WeakPolarHBondContact CB-OG1 3.22Å; W42-T129 PolarHBondContact O-N 2.88Å; W42-T129 VanDerWaalsContact O-N 3.13Å; W42-L131 HydrophobicContact CD2-CD1 3.69Å; W42-L131 HydrophobicContact CD2-CG 4.18Å; W42-L131 HydrophobicContact CE3-CD1 3.67Å; W42-L131 HydrophobicContact CG-CD1 4.09Å; W42-L131 HydrophobicContact CG-CG 4.4Å; W42-L131 HydrophobicContact CH2-CD1 4.49Å; W42-L131 HydrophobicContact CZ2-CD1 4.49Å; W42-L131 HydrophobicContact CZ2-CD2 4.16Å; W42-L131 HydrophobicContact CZ3-CD1 4.12Å
43	G	98.6	Very high	97.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-69.4	157.2	-176.9	0	0	0	0	0	113.4	Y40 A41 S126 N128	Y40-G43 PolarHBondContact O-N 3.41Å; A41-G43 VanDerWaalsContact C-N 3.31Å; G43-S126 CarbonylContact C-O 3.27Å; G43-S126 VanDerWaalsContact CA-O 3.3Å; G43-S126 WeakPolarHBondContact CA-O 3.29Å; G43-N128 WeakPolarHBondContact O-CB 3.38Å
44	K	98.8	Very high	97.9	Very high	17 Å²	17	41.2 Å²	41.2	7%	0.074	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	151.4	169.4	-68.7	-172.4	-170	166.3	0	111	D48 P69 Y70 S126 V127 N128 D305	K44-D48 VanDerWaalsContact CD-O 3.25Å; K44-D48 WeakPolarHBondContact CD-O 3.33Å; K44-P69 CarbonylContact O-C 3.57Å; K44-P69 WeakPolarHBondContact O-CA 3.24Å; K44-Y70 PolarHBondContact O-N 3.11Å; K44-S126 WeakPolarHBondContact CD-OG 3.42Å; K44-S126 PolarHBondContact N-O 3.36Å; K44-V127 WeakPolarHBondContact CE-O 3.34Å; K44-N128 HydrophobicContact CB-CB 4.38Å; K44-N128 HydrophobicContact CG-CB 3.8Å; K44-D305 VanDerWaalsContact CE-OD1 3.27Å; K44-D305 WeakPolarHBondContact CE-OD1 3.23Å; K44-D305 IonicContact NZ-OD1 2.67Å; K44-D305 PolarHBondContact NZ-OD1 2.76Å; K44-D305 IonicContact NZ-OD2 2.65Å; K44-D305 PolarHBondContact NZ-OD2 2.94Å
45	I	98.4	Very high	97.9	Very high	60 Å²	60	39.6 Å²	39.6	31%	0.308	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.7	-170.4	-60.5	-60.1	0	0	0	110.5	L47 D48 R66 P69	I45-L47 PolarHBondContact O-N 3.44Å; I45-D48 WeakPolarHBondContact O-CB 3.36Å; I45-D48 PolarHBondContact O-N 2.94Å; I45-R66 WeakPolarHBondContact CG2-O 3.46Å; I45-P69 HydrophobicContact CD1-CB 3.93Å
46	G	97.9	Very high	97.8	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	49.3	-134.9	175.9	0	0	0	0	0	112.9	D48 S49 A52 K68	G46-D48 PolarHBondContact O-N 2.85Å; G46-S49 VanDerWaalsContact O-CB 3.29Å; G46-S49 WeakPolarHBondContact O-CB 3.5Å; G46-S49 PolarHBondContact O-N 2.94Å; G46-S49 VanDerWaalsContact O-N 3.1Å; G46-A52 WeakPolarHBondContact O-CB 3.26Å; G46-K68 PolarHBondContact N-O 3.28Å
47	L	97.4	Very high	97.6	Very high	103 Å²	103	41 Å²	41	54%	0.539	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-74.7	1.1	-178.8	-68	176.1	0	0	0	114.8	I45 A52 K53 V56 I64	I45-L47 PolarHBondContact O-N 3.44Å; L47-A52 HydrophobicContact CD2-CB 4.49Å; L47-K53 WeakPolarHBondContact O-CE 3.41Å; L47-V56 HydrophobicContact CD2-CG2 4.33Å; L47-I64 HydrophobicContact CD2-CB 4.38Å; L47-I64 HydrophobicContact CD2-CG1 4.12Å; L47-I64 HydrophobicContact CD2-CG2 4.29Å; L47-I64 HydrophobicContact CG-CG2 4.31Å
48	D	98.1	Very high	97.2	Very high	121 Å²	121	40 Å²	40	65%	0.647	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-73.3	-19.4	165.3	-64.5	-29.4	0	0	0	111.1	K44 I45 G46	K44-D48 VanDerWaalsContact CD-O 3.25Å; K44-D48 WeakPolarHBondContact CD-O 3.33Å; I45-D48 WeakPolarHBondContact O-CB 3.36Å; I45-D48 PolarHBondContact O-N 2.94Å; G46-D48 PolarHBondContact O-N 2.85Å
49	S	98.7	Very high	96.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-79.7	131.8	176.3	176	0	0	0	0	112.9	G46 V51 A52 K53 Y70 S126	G46-S49 VanDerWaalsContact O-CB 3.29Å; G46-S49 WeakPolarHBondContact O-CB 3.5Å; G46-S49 PolarHBondContact O-N 2.94Å; G46-S49 VanDerWaalsContact O-N 3.1Å; S49-V51 VanDerWaalsContact C-N 3.26Å; S49-V51 PolarHBondContact O-N 3.45Å; S49-V51 WeakPolarHBondContact OG-CB 3.49Å; S49-V51 PolarHBondContact OG-N 3.17Å; S49-V51 VanDerWaalsContact OG-N 3.1Å; S49-A52 PolarHBondContact O-N 3.39Å; S49-A52 PolarHBondContact OG-N 3.39Å; S49-K53 WeakPolarHBondContact O-CG 3.48Å; S49-K53 PolarHBondContact O-N 2.89Å; S49-K53 VanDerWaalsContact O-N 3.13Å; S49-Y70 WeakPolarHBondContact CB-O 3.46Å; S49-Y70 WeakPolarHBondContact OG-CB 3.48Å; S49-Y70 PolarHBondContact OG-O 2.87Å; S49-S126 VanDerWaalsContact CA-OG 3.28Å; S49-S126 WeakPolarHBondContact CA-OG 3.25Å; S49-S126 VanDerWaalsContact OG-CB 3.23Å; S49-S126 WeakPolarHBondContact OG-CB 3.3Å; S49-S126 PolarHBondContact OG-OG 3.31Å
50	E	98.6	Very high	96	Very high	15 Å²	15	43.6 Å²	43.6	7%	0.07	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-35.4	170.3	-174.2	63.5	-173.9	0	0	111.4	A52 K53 L54 V124 S126 L166 D305 R415	E50-A52 PolarHBondContact O-N 3.42Å; E50-K53 PolarHBondContact O-N 3.13Å; E50-L54 HydrophobicContact CG-CD1 4.31Å; E50-L54 VanDerWaalsContact O-CG 3.3Å; E50-L54 WeakPolarHBondContact O-CG 3.34Å; E50-L54 PolarHBondContact O-N 3.48Å; E50-V124 HydrophobicContact CB-CG1 4.49Å; E50-V124 HydrophobicContact CG-CG1 4.09Å; E50-S126 PolarHBondContact N-OG 2.8Å; E50-S126 VanDerWaalsContact N-OG 3.15Å; E50-L166 HydrophobicContact CG-CD1 3.93Å; E50-D305 HydrophobicContact CB-CB 3.74Å; E50-D305 HydrophobicContact CG-CB 4.24Å; E50-R415 IonicContact OE1-CZ 3.78Å; E50-R415 VanDerWaalsContact OE1-CZ 3.23Å; E50-R415 IonicContact OE1-NH1 3.93Å; E50-R415 PolarHBondContact OE1-NH1 2.82Å; E50-R415 IonicContact OE1-NH2 2.79Å; E50-R415 PolarHBondContact OE1-NH2 3.4Å; E50-R415 IonicContact OE2-CZ 3.81Å; E50-R415 IonicContact OE2-NH2 2.81Å; E50-R415 PolarHBondContact OE2-NH2 2.89Å
51	V	98.6	Very high	95.6	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-47.3	174.9	169.3	0	0	0	0	110.7	V37 S49 K53 L54 V55 L73 V124	V37-V51 HydrophobicContact CG1-CG1 4Å; S49-V51 VanDerWaalsContact C-N 3.26Å; S49-V51 PolarHBondContact O-N 3.45Å; S49-V51 WeakPolarHBondContact OG-CB 3.49Å; S49-V51 PolarHBondContact OG-N 3.17Å; S49-V51 VanDerWaalsContact OG-N 3.1Å; V51-K53 VanDerWaalsContact C-N 3.34Å; V51-K53 PolarHBondContact O-N 2.98Å; V51-L54 PolarHBondContact O-N 3.3Å; V51-V55 VanDerWaalsContact O-CG2 3.29Å; V51-V55 WeakPolarHBondContact O-CG2 3.45Å; V51-V55 PolarHBondContact O-N 3.36Å; V51-L73 HydrophobicContact CG1-CB 4.03Å; V51-L73 HydrophobicContact CG2-CB 4.18Å; V51-V124 HydrophobicContact CG2-CB 4.26Å; V51-V124 HydrophobicContact CG2-CG1 4.14Å; V51-V124 WeakPolarHBondContact CG2-O 3.48Å
52	A	98.1	Very high	95.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-40.7	178.2	0	0	0	0	0	112.4	G46 L47 S49 E50 L54 V55 V56 I64 Y70	G46-A52 WeakPolarHBondContact O-CB 3.26Å; L47-A52 HydrophobicContact CD2-CB 4.49Å; S49-A52 PolarHBondContact O-N 3.39Å; S49-A52 PolarHBondContact OG-N 3.39Å; E50-A52 PolarHBondContact O-N 3.42Å; A52-L54 PolarHBondContact O-N 3.42Å; A52-V55 PolarHBondContact O-N 2.89Å; A52-V56 WeakPolarHBondContact O-CG2 3.26Å; A52-V56 PolarHBondContact O-N 3.27Å; A52-V56 VanDerWaalsContact O-N 3.12Å; A52-I64 HydrophobicContact CB-CD1 4.01Å; A52-I64 HydrophobicContact CB-CG1 4.32Å; A52-I64 HydrophobicContact CB-CG2 4.04Å; A52-Y70 HydrophobicContact CB-CD1 4.08Å; A52-Y70 HydrophobicContact CB-CD2 3.97Å; A52-Y70 HydrophobicContact CB-CG 3.76Å
53	K	97.9	Very high	95	Very high	79 Å²	79	45.9 Å²	45.9	34%	0.343	27%	0.27	S	S	.	.	H	α-helix	trans	-63.1	-40.2	176.7	-67.1	171.9	-162.8	168.3	0	112.1	L47 S49 E50 V51 G57	L47-K53 WeakPolarHBondContact O-CE 3.41Å; S49-K53 WeakPolarHBondContact O-CG 3.48Å; S49-K53 PolarHBondContact O-N 2.89Å; S49-K53 VanDerWaalsContact O-N 3.13Å; E50-K53 PolarHBondContact O-N 3.13Å; V51-K53 VanDerWaalsContact C-N 3.34Å; V51-K53 PolarHBondContact O-N 2.98Å; K53-G57 PolarHBondContact O-N 3.44Å; K53-G57 VanDerWaalsContact O-N 3.07Å
54	L	98.1	Very high	94.9	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-67.2	-40.5	176.7	-68.3	170.2	0	0	0	111.4	E50 V51 A52 V56 G57 G58 L73 V124 L394 I396 R415 G416	E50-L54 HydrophobicContact CG-CD1 4.31Å; E50-L54 VanDerWaalsContact O-CG 3.3Å; E50-L54 WeakPolarHBondContact O-CG 3.34Å; E50-L54 PolarHBondContact O-N 3.48Å; V51-L54 PolarHBondContact O-N 3.3Å; A52-L54 PolarHBondContact O-N 3.42Å; L54-V56 PolarHBondContact O-N 3.35Å; L54-G57 PolarHBondContact O-N 3.34Å; L54-G58 PolarHBondContact O-N 2.99Å; L54-L73 HydrophobicContact CB-CD2 4.28Å; L54-L73 HydrophobicContact CD1-CD2 4.29Å; L54-V124 HydrophobicContact CD1-CB 4.01Å; L54-V124 HydrophobicContact CD1-CG1 3.87Å; L54-V124 HydrophobicContact CD1-CG2 3.59Å; L54-L394 HydrophobicContact CD1-CD2 4.47Å; L54-I396 HydrophobicContact CD1-CD1 4.3Å; L54-I396 HydrophobicContact CD2-CD1 4.02Å; L54-R415 HydrophobicContact CD2-CG 4.01Å; L54-G416 WeakPolarHBondContact O-CA 3.31Å
55	V	96.5	Very high	94.8	Very high	32 Å²	32	51.8 Å²	51.8	19%	0.194	30%	0.299	C	S	.	.	H	α-helix	trans	-58.6	-48.4	176.3	170.1	0	0	0	0	111.3	V37 V51 A52 G57 G58 D59 A62 I64 L73	V37-V55 HydrophobicContact CG2-CG2 3.48Å; V37-V55 VanDerWaalsContact CG2-CG2 3.48Å; V51-V55 VanDerWaalsContact O-CG2 3.29Å; V51-V55 WeakPolarHBondContact O-CG2 3.45Å; V51-V55 PolarHBondContact O-N 3.36Å; A52-V55 PolarHBondContact O-N 2.89Å; V55-G57 VanDerWaalsContact C-N 3.34Å; V55-G57 PolarHBondContact O-N 3.38Å; V55-G58 PolarHBondContact O-N 2.96Å; V55-D59 PolarHBondContact O-N 3.02Å; V55-A62 HydrophobicContact CG1-CB 3.76Å; V55-I64 HydrophobicContact CB-CD1 4.38Å; V55-I64 HydrophobicContact CG1-CD1 4.17Å; V55-L73 HydrophobicContact CG2-CD1 4.32Å
56	V	95.3	Very high	94.6	Very high	54 Å²	54	59 Å²	59	33%	0.327	32%	0.322	S	S	.	.	H	α-helix	trans	-64.1	-39.7	178	175.4	0	0	0	0	112	L47 A52 L54 D59 I64	L47-V56 HydrophobicContact CD2-CG2 4.33Å; A52-V56 WeakPolarHBondContact O-CG2 3.26Å; A52-V56 PolarHBondContact O-N 3.27Å; A52-V56 VanDerWaalsContact O-N 3.12Å; L54-V56 PolarHBondContact O-N 3.35Å; V56-D59 CarbonylContact O-C 3.54Å; V56-D59 VanDerWaalsContact O-C 3.28Å; V56-I64 HydrophobicContact CG2-CD1 3.86Å; V56-I64 HydrophobicContact CG2-CG1 3.23Å
57	G	92.5	Very high	94.6	Very high	24 Å²	24	65.4 Å²	65.4	25%	0.247	36%	0.356	C	S	.	.	H	α-helix	trans	-68.5	-37.1	-179.9	0	0	0	0	0	113.3	K53 L54 V55 T414 R415	K53-G57 PolarHBondContact O-N 3.44Å; K53-G57 VanDerWaalsContact O-N 3.07Å; L54-G57 PolarHBondContact O-N 3.34Å; V55-G57 VanDerWaalsContact C-N 3.34Å; V55-G57 PolarHBondContact O-N 3.38Å; G57-T414 PolarHBondContact O-OG1 3.23Å; G57-R415 CarbonylContact C-O 3.56Å; G57-R415 WeakPolarHBondContact CA-O 3.3Å
58	G	89.5	Confident	94.6	Very high	18 Å²	18	63.6 Å²	63.6	19%	0.186	34%	0.344	C	S	.	.	H	α-helix	trans	-83.6	-16.9	179.1	0	0	0	0	0	114.2	L54 V55 K86 R415	L54-G58 PolarHBondContact O-N 2.99Å; V55-G58 PolarHBondContact O-N 2.96Å; G58-K86 PolarHBondContact O-NZ 3.01Å; G58-R415 PolarHBondContact N-O 3.46Å; G58-R415 VanDerWaalsContact N-O 3.12Å
59	D	89.3	Confident	94.6	Very high	56 Å²	56	59 Å²	59	30%	0.299	32%	0.321	S	S	.	.			trans	-143.8	96.1	175.8	-172.5	12.6	0	0	0	111.6	V55 V56 V61 A62	V55-D59 PolarHBondContact O-N 3.02Å; V56-D59 CarbonylContact O-C 3.54Å; V56-D59 VanDerWaalsContact O-C 3.28Å; D59-V61 PolarHBondContact O-N 2.78Å; D59-V61 WeakPolarHBondContact OD1-CG2 3.35Å; D59-V61 PolarHBondContact OD1-N 3.46Å; D59-A62 HydrophobicContact CB-CB 4.09Å; D59-A62 WeakPolarHBondContact O-CB 3.48Å; D59-A62 PolarHBondContact O-N 3.01Å
60	P	81.9	Confident	94.6	Very high	114 Å²	114	59.6 Å²	59.6	74%	0.74	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.5	-176.1	-26.1	35	0	0	0	115.3
61	V	88.1	Confident	94.6	Very high	118 Å²	118	58.9 Å²	58.9	72%	0.715	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-4.6	175.8	-61.1	0	0	0	0	113	D59 V63	D59-V61 PolarHBondContact O-N 2.78Å; D59-V61 WeakPolarHBondContact OD1-CG2 3.35Å; D59-V61 PolarHBondContact OD1-N 3.46Å; V61-V63 PolarHBondContact O-N 2.81Å
62	A	90.9	Very high	94.6	Very high	25 Å²	25	59.7 Å²	59.7	21%	0.207	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-65.7	131.1	177.9	0	0	0	0	0	111.1	V55 D59	V55-A62 HydrophobicContact CG1-CB 3.76Å; D59-A62 HydrophobicContact CB-CB 4.09Å; D59-A62 WeakPolarHBondContact O-CB 3.48Å; D59-A62 PolarHBondContact O-N 3.01Å
63	V	92.2	Very high	94.6	Very high	126 Å²	126	60 Å²	60	76%	0.764	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-101.7	121.8	177.5	-178.5	0	0	0	0	109.2	V61	V61-V63 PolarHBondContact O-N 2.81Å
64	I	96.3	Very high	94.7	Very high	33 Å²	33	56.6 Å²	56.6	17%	0.169	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-92.2	123	175.6	-59.2	-57.3	0	0	0	109.7	L47 A52 V55 V56 R66 Y70	L47-I64 HydrophobicContact CD2-CB 4.38Å; L47-I64 HydrophobicContact CD2-CG1 4.12Å; L47-I64 HydrophobicContact CD2-CG2 4.29Å; L47-I64 HydrophobicContact CG-CG2 4.31Å; A52-I64 HydrophobicContact CB-CD1 4.01Å; A52-I64 HydrophobicContact CB-CG1 4.32Å; A52-I64 HydrophobicContact CB-CG2 4.04Å; V55-I64 HydrophobicContact CB-CD1 4.38Å; V55-I64 HydrophobicContact CG1-CD1 4.17Å; V56-I64 HydrophobicContact CG2-CD1 3.86Å; V56-I64 HydrophobicContact CG2-CG1 3.23Å; I64-R66 PolarHBondContact O-N 3.11Å; I64-Y70 WeakPolarHBondContact CA-OH 3.49Å; I64-Y70 HydrophobicContact CD1-CD1 4.49Å; I64-Y70 HydrophobicContact CD1-CE1 3.79Å; I64-Y70 HydrophobicContact CG2-CD2 4.43Å; I64-Y70 HydrophobicContact CG2-CE2 3.7Å
65	E	96.5	Very high	94.7	Very high	107 Å²	107	56.6 Å²	56.6	50%	0.5	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-76.6	121.1	173.9	-65.7	177.5	-107	0	0	109.1	D67 K68 Y70	E65-D67 VanDerWaalsContact C-N 3.3Å; E65-D67 PolarHBondContact O-N 2.81Å; E65-K68 HydrophobicContact CB-CB 3.67Å; E65-K68 HydrophobicContact CB-CD 4.03Å; E65-K68 HydrophobicContact CG-CD 4.31Å; E65-K68 PolarHBondContact O-N 3.38Å; E65-K68 WeakPolarHBondContact OE1-CD 3.24Å; E65-K68 IonicContact OE1-NZ 2.67Å; E65-K68 PolarHBondContact OE1-NZ 3.45Å; E65-Y70 PolarHBondContact N-OH 3.25Å
66	R	94.9	Very high	94.8	Very high	212 Å²	212	55 Å²	55	80%	0.8	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-40.1	-170.2	-174.9	179.2	179	177.1	-0.4	113.6	I45 I64	I45-R66 WeakPolarHBondContact CG2-O 3.46Å; I64-R66 PolarHBondContact O-N 3.11Å
67	D	96.5	Very high	94.9	Very high	136 Å²	136	53.8 Å²	53.8	73%	0.727	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	7.3	-172.6	-56.4	-47	0	0	0	113.2	E65	E65-D67 VanDerWaalsContact C-N 3.3Å; E65-D67 PolarHBondContact O-N 2.81Å
68	K	97.9	Very high	95	Very high	65 Å²	65	53.5 Å²	53.5	28%	0.283	29%	0.288	S	S	.	.	S	Bend	trans	-91.3	138.7	-178.3	-172.2	174.9	-172.5	-179.9	0	110.7	N39 G46 E65 Y70	N39-K68 HydrophobicContact CB-CG 4.48Å; N39-K68 VanDerWaalsContact CG-CE 3.45Å; N39-K68 WeakPolarHBondContact OD1-CE 3.46Å; G46-K68 PolarHBondContact N-O 3.28Å; E65-K68 HydrophobicContact CB-CB 3.67Å; E65-K68 HydrophobicContact CB-CD 4.03Å; E65-K68 HydrophobicContact CG-CD 4.31Å; E65-K68 PolarHBondContact O-N 3.38Å; E65-K68 WeakPolarHBondContact OE1-CD 3.24Å; E65-K68 IonicContact OE1-NZ 2.67Å; E65-K68 PolarHBondContact OE1-NZ 3.45Å; K68-Y70 HydrophobicContact CB-CE2 3.89Å; K68-Y70 HydrophobicContact CD-CE2 4.39Å; K68-Y70 HydrophobicContact CG-CE2 4.21Å; K68-Y70 WeakPolarHBondContact O-CD2 3.29Å; K68-Y70 WeakPolarHBondContact O-CE2 3.47Å
69	P	98.4	Very high	95.2	Very high	25 Å²	25	58.2 Å²	58.2	16%	0.162	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	138.4	173.1	30.4	-34.4	0	0	0	111.4	N39 Y40 K44 I45	N39-P69 VanDerWaalsContact CA-O 3.24Å; N39-P69 WeakPolarHBondContact CA-O 3.35Å; N39-P69 WeakPolarHBondContact CB-O 3.26Å; N39-P69 PolarHBondContact ND2-O 2.9Å; Y40-P69 VanDerWaalsContact O-CB 3.29Å; Y40-P69 WeakPolarHBondContact O-CB 3.47Å; K44-P69 CarbonylContact O-C 3.57Å; K44-P69 WeakPolarHBondContact O-CA 3.24Å; I45-P69 HydrophobicContact CD1-CB 3.93Å
70	Y	98.7	Very high	95.4	Very high	12 Å²	12	62.1 Å²	62.1	5%	0.047	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	100.2	173.1	-69.8	-100.1	0	0	0	107.3	V37 K44 S49 A52 I64 E65 K68	V37-Y70 HydrophobicContact CG1-CD1 3.75Å; V37-Y70 HydrophobicContact CG1-CE1 4.35Å; K44-Y70 PolarHBondContact O-N 3.11Å; S49-Y70 WeakPolarHBondContact CB-O 3.46Å; S49-Y70 WeakPolarHBondContact OG-CB 3.48Å; S49-Y70 PolarHBondContact OG-O 2.87Å; A52-Y70 HydrophobicContact CB-CD1 4.08Å; A52-Y70 HydrophobicContact CB-CD2 3.97Å; A52-Y70 HydrophobicContact CB-CG 3.76Å; I64-Y70 WeakPolarHBondContact CA-OH 3.49Å; I64-Y70 HydrophobicContact CD1-CD1 4.49Å; I64-Y70 HydrophobicContact CD1-CE1 3.79Å; I64-Y70 HydrophobicContact CG2-CD2 4.43Å; I64-Y70 HydrophobicContact CG2-CE2 3.7Å; E65-Y70 PolarHBondContact N-OH 3.25Å; K68-Y70 HydrophobicContact CB-CE2 3.89Å; K68-Y70 HydrophobicContact CD-CE2 4.39Å; K68-Y70 HydrophobicContact CG-CE2 4.21Å; K68-Y70 WeakPolarHBondContact O-CD2 3.29Å; K68-Y70 WeakPolarHBondContact O-CE2 3.47Å
71	A	98.7	Very high	96	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.298	C	S	.	.			trans	-99.2	-50.1	-163.8	0	0	0	0	0	112.3	Q38 Y40 W42 L125 S126	Q38-A71 WeakPolarHBondContact O-CA 3.37Å; Q38-A71 VanDerWaalsContact O-CB 3.3Å; Q38-A71 WeakPolarHBondContact O-CB 3.12Å; Q38-A71 PolarHBondContact O-N 2.65Å; Y40-A71 HydrophobicContact CD2-CB 4.18Å; Y40-A71 HydrophobicContact CG-CB 4.38Å; W42-A71 HydrophobicContact CD2-CB 4.08Å; W42-A71 HydrophobicContact CE3-CB 3.98Å; W42-A71 HydrophobicContact CH2-CB 3.6Å; W42-A71 WeakPolarHBondContact CH2-O 3.39Å; W42-A71 HydrophobicContact CZ2-CB 3.7Å; W42-A71 HydrophobicContact CZ3-CB 3.72Å; A71-L125 CarbonylContact O-C 3.57Å; A71-L125 WeakPolarHBondContact O-CA 3.47Å; A71-S126 PolarHBondContact O-N 3.34Å
72	E	98.8	Very high	96.5	Very high	16 Å²	16	53.1 Å²	53.1	8%	0.075	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.1	-177.4	-48.4	-175.5	154.7	0	0	111.3	V37 Q38 Y40 W42 W74 V124 L125	V37-E72 CarbonylContact C-O 3.53Å; V37-E72 WeakPolarHBondContact CA-O 3.33Å; Q38-E72 HydrophobicContact CB-CB 4.02Å; Q38-E72 HydrophobicContact CB-CG 4.47Å; Q38-E72 HydrophobicContact CG-CB 4.26Å; Q38-E72 PolarHBondContact N-O 3.2Å; Q38-E72 PolarHBondContact O-N 2.68Å; Y40-E72 HydrophobicContact CD2-CG 4.19Å; Y40-E72 HydrophobicContact CE2-CG 4.27Å; Y40-E72 WeakPolarHBondContact CE2-OE2 3.42Å; W42-E72 HydrophobicContact CH2-CG 3.5Å; W42-E72 HydrophobicContact CZ2-CG 3.55Å; W42-E72 VanDerWaalsContact CZ2-OE1 3.31Å; W42-E72 WeakPolarHBondContact CZ2-OE1 3.45Å; E72-W74 VanDerWaalsContact OE2-CE2 3.28Å; E72-W74 WeakPolarHBondContact OE2-CZ2 3.06Å; E72-W74 PolarHBondContact OE2-NE1 2.66Å; E72-V124 CarbonylContact C-O 3.54Å; E72-V124 VanDerWaalsContact CA-O 3.27Å; E72-V124 WeakPolarHBondContact CA-O 3.43Å; E72-L125 HydrophobicContact CG-CG 4.18Å
73	L	98.8	Very high	96.8	Very high	7 Å²	7	51.9 Å²	51.9	4%	0.037	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.2	163.6	-176.4	65.8	0	0	0	108.1	C35 A36 V37 V51 L54 V55 M75 K123 V124	C35-L73 HydrophobicContact CB-CD1 3.71Å; C35-L73 HydrophobicContact CB-CG 4.12Å; A36-L73 CarbonylContact O-C 3.51Å; V37-L73 HydrophobicContact CG2-CD1 3.85Å; V51-L73 HydrophobicContact CG1-CB 4.03Å; V51-L73 HydrophobicContact CG2-CB 4.18Å; L54-L73 HydrophobicContact CB-CD2 4.28Å; L54-L73 HydrophobicContact CD1-CD2 4.29Å; V55-L73 HydrophobicContact CG2-CD1 4.32Å; L73-M75 HydrophobicContact CD2-SD 4.49Å; L73-M75 HydrophobicContact CG-CG 4.46Å; L73-K123 WeakPolarHBondContact O-CA 3.36Å; L73-K123 WeakPolarHBondContact O-CB 3.3Å; L73-V124 HydrophobicContact CB-CB 4.23Å; L73-V124 PolarHBondContact N-O 3.26Å; L73-V124 PolarHBondContact O-N 3.12Å; L73-V124 VanDerWaalsContact O-N 3.11Å
74	W	98.6	Very high	97.1	Very high	8 Å²	8	50.1 Å²	50.1	3%	0.03	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	121.5	-176.2	-75	21.7	0	0	0	111.4	C35 A36 Q38 E72 H78 K80 L121 K123	C35-W74 WeakPolarHBondContact CB-O 3.24Å; A36-W74 HydrophobicContact CB-CB 4.29Å; A36-W74 PolarHBondContact N-O 2.86Å; A36-W74 PolarHBondContact O-N 3.48Å; Q38-W74 HydrophobicContact CG-CD2 4.23Å; Q38-W74 HydrophobicContact CG-CG 4.41Å; Q38-W74 HydrophobicContact CG-CZ2 4.19Å; E72-W74 VanDerWaalsContact OE2-CE2 3.28Å; E72-W74 WeakPolarHBondContact OE2-CZ2 3.06Å; E72-W74 PolarHBondContact OE2-NE1 2.66Å; W74-H78 HydrophobicContact CE3-CB 4.34Å; W74-H78 HydrophobicContact CZ3-CB 4.37Å; W74-H78 AromaticContact CZ3-CE1 3.98Å; W74-H78 AromaticContact CZ3-CG 3.94Å; W74-H78 AromaticContact CZ3-ND1 3.41Å; W74-H78 WeakPolarHBondContact CZ3-ND1 2.82Å; W74-K80 HydrophobicContact CH2-CB 4.45Å; W74-K80 HydrophobicContact CZ3-CB 3.91Å; W74-L121 HydrophobicContact CB-CD1 4.23Å; W74-L121 HydrophobicContact CD2-CD2 3.93Å; W74-L121 HydrophobicContact CE3-CD2 3.87Å; W74-L121 HydrophobicContact CG-CD1 4.45Å; W74-L121 HydrophobicContact CG-CD2 4.46Å; W74-L121 HydrophobicContact CH2-CD2 4.43Å; W74-L121 HydrophobicContact CZ2-CD2 4.48Å; W74-L121 HydrophobicContact CZ3-CD2 4.13Å; W74-K123 HydrophobicContact CG-CG 4.43Å
75	M	98.6	Very high	97.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	105.5	-179.1	-54.7	163.4	-80.8	0	0	108.5	C35 L73 F122 K123 V124 I392 L394 V418	C35-M75 HydrophobicContact CB-CG 4.06Å; C35-M75 VanDerWaalsContact SG-CG 3.57Å; L73-M75 HydrophobicContact CD2-SD 4.49Å; L73-M75 HydrophobicContact CG-CG 4.46Å; M75-F122 WeakPolarHBondContact CA-O 3.24Å; M75-F122 HydrophobicContact CB-CB 4.28Å; M75-F122 HydrophobicContact CB-CD1 4.33Å; M75-F122 WeakPolarHBondContact CB-O 3.48Å; M75-F122 HydrophobicContact CE-CB 4.4Å; M75-F122 HydrophobicContact CE-CD1 3.42Å; M75-F122 VanDerWaalsContact CE-CD1 3.42Å; M75-F122 HydrophobicContact CE-CE1 3.77Å; M75-F122 HydrophobicContact CE-CG 3.89Å; M75-F122 PolarHBondContact N-O 3.21Å; M75-F122 PolarHBondContact O-N 2.68Å; M75-F122 HydrophobicContact SD-CD1 3.79Å; M75-F122 HydrophobicContact SD-CE1 4.12Å; M75-K123 VanDerWaalsContact CE-C 3.47Å; M75-K123 VanDerWaalsContact CE-CA 3.48Å; M75-V124 HydrophobicContact CE-CG2 4.06Å; M75-I392 HydrophobicContact CB-CD1 4.37Å; M75-I392 HydrophobicContact CB-CG2 3.96Å; M75-I392 WeakPolarHBondContact O-CD1 3.43Å; M75-L394 HydrophobicContact CE-CD2 3.97Å; M75-L394 HydrophobicContact SD-CB 4.01Å; M75-L394 HydrophobicContact SD-CD1 4.13Å; M75-L394 HydrophobicContact SD-CD2 3.95Å; M75-L394 HydrophobicContact SD-CG 4.25Å; M75-V418 HydrophobicContact CB-CG1 4.36Å; M75-V418 HydrophobicContact CG-CG1 4.11Å; M75-V418 HydrophobicContact CG-CG2 4.15Å; M75-V418 HydrophobicContact SD-CG1 4.18Å; M75-V418 HydrophobicContact SD-CG2 3.85Å
76	G	97.8	Very high	96.9	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	158.1	-166.9	-177.1	0	0	0	0	0	112.3	A83	G76-A83 WeakPolarHBondContact O-CB 3.44Å; G76-A83 PolarHBondContact O-N 3.04Å
77	A	97.3	Very high	96.6	Very high	27 Å²	27	39.6 Å²	39.6	22%	0.223	21%	0.205	C	C	.	.			trans	-106.7	25.9	-176.6	0	0	0	0	0	112.9	D82 L95 I99 L118	A77-D82 WeakPolarHBondContact CA-OD1 3.38Å; A77-L95 HydrophobicContact CB-CD2 4.48Å; A77-L95 HydrophobicContact CB-CG 4.3Å; A77-I99 HydrophobicContact CB-CD1 4.1Å; A77-L118 HydrophobicContact CB-CB 4.48Å
78	H	95.9	Very high	96.1	Very high	18 Å²	18	40.8 Å²	40.8	8%	0.083	21%	0.212	C	C	.	.			trans	-70.3	133.4	-177	-172	-81.6	0	0	0	110.9	W74 K80 G81 D82 L121 D314	W74-H78 HydrophobicContact CE3-CB 4.34Å; W74-H78 HydrophobicContact CZ3-CB 4.37Å; W74-H78 AromaticContact CZ3-CE1 3.98Å; W74-H78 AromaticContact CZ3-CG 3.94Å; W74-H78 AromaticContact CZ3-ND1 3.41Å; W74-H78 WeakPolarHBondContact CZ3-ND1 2.82Å; H78-K80 PolarHBondContact ND1-N 3.41Å; H78-K80 PolarHBondContact O-N 2.97Å; H78-G81 CarbonylContact O-C 3.55Å; H78-G81 PolarHBondContact O-N 3.47Å; H78-D82 WeakPolarHBondContact O-CA 3.37Å; H78-D82 PolarHBondContact O-N 2.86Å; H78-L121 HydrophobicContact CB-CD1 4.08Å; H78-L121 HydrophobicContact CB-CD2 4.08Å; H78-D314 IonicContact CE1-OD2 3.42Å; H78-D314 IonicContact NE2-OD2 3.5Å
79	P	93.6	Very high	95.6	Very high	118 Å²	118	43.1 Å²	43.1	77%	0.766	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.1	-173.2	-29.2	35.2	0	0	0	115.9	G81	P79-G81 VanDerWaalsContact C-N 3.32Å
80	K	93.2	Very high	95	Very high	137 Å²	137	42.6 Å²	42.6	60%	0.596	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-2.1	178	-62.4	176	-177.8	158.8	0	114.8	W74 H78 D314	W74-K80 HydrophobicContact CH2-CB 4.45Å; W74-K80 HydrophobicContact CZ3-CB 3.91Å; H78-K80 PolarHBondContact ND1-N 3.41Å; H78-K80 PolarHBondContact O-N 2.97Å; K80-D314 IonicContact NZ-OD2 2.72Å; K80-D314 PolarHBondContact NZ-OD2 3.41Å
81	G	95.1	Very high	94.4	Very high	7 Å²	7	45.5 Å²	45.5	7%	0.072	24%	0.241	C	C	.	.	S	Bend	trans	-167.9	49.5	-176.2	0	0	0	0	0	111.5	H78 P79 A83	H78-G81 CarbonylContact O-C 3.55Å; H78-G81 PolarHBondContact O-N 3.47Å; P79-G81 VanDerWaalsContact C-N 3.32Å; G81-A83 PolarHBondContact O-N 3.24Å
82	D	97.6	Very high	93.9	Very high	36 Å²	36	46.8 Å²	46.8	19%	0.193	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-69.5	119.7	-178.7	-170.6	2.2	0	0	0	109.4	A77 H78 Q84 T94 L95 G96	A77-D82 WeakPolarHBondContact CA-OD1 3.38Å; H78-D82 WeakPolarHBondContact O-CA 3.37Å; H78-D82 PolarHBondContact O-N 2.86Å; D82-Q84 PolarHBondContact O-N 3.34Å; D82-Q84 PolarHBondContact O-NE2 3.33Å; D82-Q84 VanDerWaalsContact O-NE2 3.16Å; D82-T94 VanDerWaalsContact CG-CB 3.43Å; D82-T94 WeakPolarHBondContact OD2-CB 3.36Å; D82-T94 PolarHBondContact OD2-OG1 2.87Å; D82-L95 PolarHBondContact OD1-N 2.91Å; D82-G96 PolarHBondContact OD1-N 3.46Å; D82-G96 WeakPolarHBondContact OD2-CA 3.45Å; D82-G96 PolarHBondContact OD2-N 2.98Å
83	A	98	Very high	93.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-62.8	135.1	-175	0	0	0	0	0	110.8	L33 G76 G81 T94 L95	L33-A83 HydrophobicContact CB-CB 4.31Å; L33-A83 HydrophobicContact CD1-CB 4Å; L33-A83 HydrophobicContact CD2-CB 4.23Å; L33-A83 HydrophobicContact CG-CB 4.43Å; G76-A83 WeakPolarHBondContact O-CB 3.44Å; G76-A83 PolarHBondContact O-N 3.04Å; G81-A83 PolarHBondContact O-N 3.24Å; A83-T94 CarbonylContact O-C 3.57Å; A83-T94 VanDerWaalsContact O-CA 3.29Å; A83-T94 WeakPolarHBondContact O-CA 3.14Å; A83-L95 HydrophobicContact CB-CB 4.34Å; A83-L95 PolarHBondContact O-N 3.01Å
84	Q	97.5	Very high	93.5	Very high	89 Å²	89	50 Å²	50	42%	0.416	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	142	177.3	-55	-62.7	-62.8	0	0	109.9	L33 T34 D82 K86 T93 T94	L33-Q84 CarbonylContact C-O 3.48Å; L33-Q84 WeakPolarHBondContact CA-O 3.47Å; T34-Q84 PolarHBondContact N-O 2.92Å; T34-Q84 PolarHBondContact O-N 3.13Å; D82-Q84 PolarHBondContact O-N 3.34Å; D82-Q84 PolarHBondContact O-NE2 3.33Å; D82-Q84 VanDerWaalsContact O-NE2 3.16Å; Q84-K86 PolarHBondContact O-N 3.36Å; Q84-T93 WeakPolarHBondContact CA-O 3.43Å; Q84-T93 PolarHBondContact OE1-O 3.46Å; Q84-T94 VanDerWaalsContact NE2-CG2 3.3Å
85	I	95.9	Very high	93.5	Very high	19 Å²	19	49.6 Å²	49.6	10%	0.097	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	119.8	175.8	-62.4	-178.2	0	0	0	108.5	F31 L33 D87 I90 Q92 T93 W98	F31-I85 HydrophobicContact CD2-CD1 4.41Å; F31-I85 HydrophobicContact CD2-CG1 4.19Å; F31-I85 HydrophobicContact CD2-CG2 3.81Å; F31-I85 HydrophobicContact CE2-CD1 3.74Å; F31-I85 HydrophobicContact CE2-CG1 3.75Å; F31-I85 HydrophobicContact CE2-CG2 4.19Å; F31-I85 HydrophobicContact CG-CG2 4.38Å; F31-I85 HydrophobicContact CZ-CD1 4.03Å; L33-I85 HydrophobicContact CD2-CG1 4.33Å; I85-D87 HydrophobicContact CG2-CB 4.15Å; I85-D87 PolarHBondContact O-N 2.91Å; I85-D87 VanDerWaalsContact O-N 3.16Å; I85-I90 HydrophobicContact CD1-CG2 3.92Å; I85-I90 HydrophobicContact CG2-CB 3.97Å; I85-I90 HydrophobicContact CG2-CD1 3.68Å; I85-I90 HydrophobicContact CG2-CG1 4.34Å; I85-I90 HydrophobicContact CG2-CG2 4.14Å; I85-Q92 HydrophobicContact CD1-CB 4.3Å; I85-T93 PolarHBondContact N-O 3.26Å; I85-W98 HydrophobicContact CD1-CB 3.83Å; I85-W98 HydrophobicContact CD1-CE3 4.43Å; I85-W98 HydrophobicContact CD1-CG 4.34Å
86	K	92.4	Very high	93.4	Very high	98 Å²	98	50.2 Å²	50.2	43%	0.426	27%	0.273	S	S	.	.	S	Bend	trans	-88.8	42	-179.1	-163.2	-179.5	179.8	170.7	0	111.1	P32 G58 Q84	P32-K86 HydrophobicContact CB-CB 4.13Å; P32-K86 HydrophobicContact CG-CB 4.03Å; P32-K86 WeakPolarHBondContact CG-O 3.36Å; P32-K86 PolarHBondContact O-N 3.39Å; G58-K86 PolarHBondContact O-NZ 3.01Å; Q84-K86 PolarHBondContact O-N 3.36Å
87	D	88.8	Confident	93.4	Very high	14 Å²	14	54.5 Å²	54.5	8%	0.075	29%	0.293	C	S	.	.			trans	-143.1	107.6	176.4	-167.2	-27.5	0	0	0	109.5	I85 R89 I90	I85-D87 HydrophobicContact CG2-CB 4.15Å; I85-D87 PolarHBondContact O-N 2.91Å; I85-D87 VanDerWaalsContact O-N 3.16Å; D87-R89 PolarHBondContact O-N 2.95Å; D87-R89 VanDerWaalsContact OD1-CB 3.26Å; D87-R89 WeakPolarHBondContact OD1-CB 3.43Å; D87-R89 IonicContact OD1-CZ 2.72Å; D87-R89 PolarHBondContact OD1-N 3.16Å; D87-R89 IonicContact OD1-NE 2.62Å; D87-R89 PolarHBondContact OD1-NE 2.9Å; D87-R89 IonicContact OD1-NH2 3.75Å; D87-R89 IonicContact OD2-CZ 2.8Å; D87-R89 IonicContact OD2-NE 3.03Å; D87-R89 PolarHBondContact OD2-NE 3.26Å; D87-R89 IonicContact OD2-NH2 3.94Å; D87-R89 PolarHBondContact OD2-NH2 3.08Å; D87-I90 HydrophobicContact CB-CD1 4.06Å; D87-I90 HydrophobicContact CB-CG1 4.24Å; D87-I90 PolarHBondContact O-N 2.89Å; D87-I90 VanDerWaalsContact O-N 3.14Å
88	N	86.6	Confident	93.3	Very high	161 Å²	161	53.7 Å²	53.7	86%	0.861	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.1	-176.4	65.9	-13.4	0	0	0	114	I90	N88-I90 VanDerWaalsContact C-N 3.35Å
89	R	87.1	Confident	93.3	Very high	113 Å²	113	53 Å²	53	43%	0.426	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-18.9	172.5	-59.2	166.6	-71.3	-163.5	0.4	111.6	D87 F408 S409	D87-R89 PolarHBondContact O-N 2.95Å; D87-R89 VanDerWaalsContact OD1-CB 3.26Å; D87-R89 WeakPolarHBondContact OD1-CB 3.43Å; D87-R89 IonicContact OD1-CZ 2.72Å; D87-R89 PolarHBondContact OD1-N 3.16Å; D87-R89 IonicContact OD1-NE 2.62Å; D87-R89 PolarHBondContact OD1-NE 2.9Å; D87-R89 IonicContact OD1-NH2 3.75Å; D87-R89 IonicContact OD2-CZ 2.8Å; D87-R89 IonicContact OD2-NE 3.03Å; D87-R89 PolarHBondContact OD2-NE 3.26Å; D87-R89 IonicContact OD2-NH2 3.94Å; D87-R89 PolarHBondContact OD2-NH2 3.08Å; R89-F408 HydrophobicContact CB-CD2 3.74Å; R89-F408 HydrophobicContact CB-CE2 3.66Å; R89-F408 HydrophobicContact CB-CZ 4.34Å; R89-S409 PolarHBondContact NH1-OG 2.9Å; R89-S409 PolarHBondContact NH2-OG 3.31Å
90	I	86.2	Confident	93.4	Very high	14 Å²	14	53 Å²	53	7%	0.072	28%	0.278	C	S	.	.	S	Bend	trans	-84.4	130	174.9	-63.7	176.8	0	0	0	108.8	V28 F31 I85 D87 N88 Q92 W98 F408	V28-I90 HydrophobicContact CG1-CD1 3.95Å; F31-I90 HydrophobicContact CB-CD1 3.71Å; F31-I90 HydrophobicContact CD1-CD1 3.55Å; F31-I90 HydrophobicContact CD2-CD1 4.2Å; F31-I90 HydrophobicContact CE1-CD1 4.16Å; F31-I90 HydrophobicContact CG-CD1 3.56Å; I85-I90 HydrophobicContact CD1-CG2 3.92Å; I85-I90 HydrophobicContact CG2-CB 3.97Å; I85-I90 HydrophobicContact CG2-CD1 3.68Å; I85-I90 HydrophobicContact CG2-CG1 4.34Å; I85-I90 HydrophobicContact CG2-CG2 4.14Å; D87-I90 HydrophobicContact CB-CD1 4.06Å; D87-I90 HydrophobicContact CB-CG1 4.24Å; D87-I90 PolarHBondContact O-N 2.89Å; D87-I90 VanDerWaalsContact O-N 3.14Å; N88-I90 VanDerWaalsContact C-N 3.35Å; I90-Q92 HydrophobicContact CG2-CB 4.36Å; I90-W98 HydrophobicContact CG2-CE3 3.64Å; I90-W98 HydrophobicContact CG2-CZ3 3.64Å; I90-F408 HydrophobicContact CG1-CD2 4.49Å; I90-F408 HydrophobicContact CG1-CE2 3.99Å
91	A	85.8	Confident	93.5	Very high	74 Å²	74	52.1 Å²	52.1	61%	0.612	28%	0.276	S	S	*	.	S	Bend	trans	-71.6	-32.8	-175.2	0	0	0	0	0	113
92	Q	89.3	Confident	93.4	Very high	27 Å²	27	54.5 Å²	54.5	13%	0.126	28%	0.284	C	S	.	.			trans	-75.5	140.3	177.7	-66.1	75.7	11	0	0	110.3	I85 I90 Q97 W98	I85-Q92 HydrophobicContact CD1-CB 4.3Å; I90-Q92 HydrophobicContact CG2-CB 4.36Å; Q92-Q97 HydrophobicContact CB-CB 4.1Å; Q92-Q97 HydrophobicContact CG-CB 4.24Å; Q92-W98 HydrophobicContact CB-CB 4.34Å; Q92-W98 HydrophobicContact CB-CE3 4.4Å; Q92-W98 HydrophobicContact CG-CE3 4.41Å
93	T	91.8	Very high	93.3	Very high	76 Å²	76	55.1 Å²	55.1	47%	0.466	29%	0.29	S	S	.	.	S	Bend	trans	-87.8	-30.1	-177.5	58	0	0	0	0	112.5	Q84 I85 Q97	Q84-T93 WeakPolarHBondContact CA-O 3.43Å; Q84-T93 PolarHBondContact OE1-O 3.46Å; I85-T93 PolarHBondContact N-O 3.26Å; T93-Q97 PolarHBondContact OG1-NE2 3.16Å; T93-Q97 PolarHBondContact OG1-OE1 3.4Å
94	T	97.4	Very high	93.1	Very high	13 Å²	13	58.9 Å²	58.9	8%	0.08	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-126.7	159.2	-174.8	78.3	0	0	0	0	112.8	D82 A83 Q84 G96 Q97 W98	D82-T94 VanDerWaalsContact CG-CB 3.43Å; D82-T94 WeakPolarHBondContact OD2-CB 3.36Å; D82-T94 PolarHBondContact OD2-OG1 2.87Å; A83-T94 CarbonylContact O-C 3.57Å; A83-T94 VanDerWaalsContact O-CA 3.29Å; A83-T94 WeakPolarHBondContact O-CA 3.14Å; Q84-T94 VanDerWaalsContact NE2-CG2 3.3Å; T94-G96 VanDerWaalsContact C-N 3.35Å; T94-Q97 PolarHBondContact O-N 3.39Å; T94-Q97 VanDerWaalsContact OG1-CG 3.31Å; T94-Q97 WeakPolarHBondContact OG1-CG 3.36Å; T94-Q97 PolarHBondContact OG1-N 3.39Å; T94-Q97 VanDerWaalsContact OG1-N 3.16Å; T94-W98 PolarHBondContact O-N 3.25Å
95	L	97.7	Very high	93.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-40.1	176.2	-178.1	61	0	0	0	111.7	F31 L33 A77 D82 A83 Q97 W98 I99 L118 I392 F420	F31-L95 HydrophobicContact CE2-CD1 4.32Å; F31-L95 HydrophobicContact CZ-CD1 4.3Å; L33-L95 HydrophobicContact CD1-CD2 4.12Å; L33-L95 HydrophobicContact CD2-CB 4.41Å; A77-L95 HydrophobicContact CB-CD2 4.48Å; A77-L95 HydrophobicContact CB-CG 4.3Å; D82-L95 PolarHBondContact OD1-N 2.91Å; A83-L95 HydrophobicContact CB-CB 4.34Å; A83-L95 PolarHBondContact O-N 3.01Å; L95-Q97 VanDerWaalsContact C-N 3.35Å; L95-Q97 PolarHBondContact O-N 3.21Å; L95-W98 WeakPolarHBondContact O-CB 3.25Å; L95-W98 PolarHBondContact O-N 2.97Å; L95-I99 HydrophobicContact CD1-CD1 4.01Å; L95-I99 HydrophobicContact CD1-CG1 4.16Å; L95-I99 HydrophobicContact CD2-CD1 4.42Å; L95-I99 HydrophobicContact CG-CD1 3.83Å; L95-I99 HydrophobicContact CG-CG1 4.39Å; L95-I99 WeakPolarHBondContact O-CG1 3.47Å; L95-I99 PolarHBondContact O-N 3.35Å; L95-L118 HydrophobicContact CD2-CD2 4.47Å; L95-I392 HydrophobicContact CD2-CD1 4.33Å; L95-F420 HydrophobicContact CD1-CB 4.31Å; L95-F420 HydrophobicContact CD1-CD1 4.12Å; L95-F420 HydrophobicContact CD1-CD2 3.5Å; L95-F420 HydrophobicContact CD1-CE1 4.29Å; L95-F420 HydrophobicContact CD1-CE2 3.71Å; L95-F420 HydrophobicContact CD1-CG 3.71Å; L95-F420 HydrophobicContact CD1-CZ 4.09Å; L95-F420 HydrophobicContact CD2-CD2 4.06Å; L95-F420 HydrophobicContact CD2-CE2 4.47Å; L95-F420 HydrophobicContact CG-CD2 4.43Å
96	G	97.3	Very high	93.1	Very high	13 Å²	13	54.3 Å²	54.3	13%	0.134	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-40.9	175.1	0	0	0	0	0	113.2	D82 T94 T100	D82-G96 PolarHBondContact OD1-N 3.46Å; D82-G96 WeakPolarHBondContact OD2-CA 3.45Å; D82-G96 PolarHBondContact OD2-N 2.98Å; T94-G96 VanDerWaalsContact C-N 3.35Å; G96-T100 WeakPolarHBondContact O-CB 3.38Å; G96-T100 PolarHBondContact O-N 2.9Å; G96-T100 PolarHBondContact O-OG1 3.03Å
97	Q	96.2	Very high	93.3	Very high	91 Å²	91	49.8 Å²	49.8	43%	0.425	28%	0.281	S	S	.	.	H	α-helix	trans	-64.1	-43.2	173.5	-72.7	172.7	-4.3	0	0	111.7	Q92 T93 T94 L95 T100 H101	Q92-Q97 HydrophobicContact CB-CB 4.1Å; Q92-Q97 HydrophobicContact CG-CB 4.24Å; T93-Q97 PolarHBondContact OG1-NE2 3.16Å; T93-Q97 PolarHBondContact OG1-OE1 3.4Å; T94-Q97 PolarHBondContact O-N 3.39Å; T94-Q97 VanDerWaalsContact OG1-CG 3.31Å; T94-Q97 WeakPolarHBondContact OG1-CG 3.36Å; T94-Q97 PolarHBondContact OG1-N 3.39Å; T94-Q97 VanDerWaalsContact OG1-N 3.16Å; L95-Q97 VanDerWaalsContact C-N 3.35Å; L95-Q97 PolarHBondContact O-N 3.21Å; Q97-T100 PolarHBondContact O-N 3.23Å; Q97-H101 PolarHBondContact O-N 3.2Å; Q97-H101 VanDerWaalsContact O-N 3.07Å
98	W	95.9	Very high	93.7	Very high	9 Å²	9	52.3 Å²	52.3	3%	0.034	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-51.3	176.6	176.7	-91.9	0	0	0	112	V28 F31 I85 I90 Q92 T94 L95 T100 H101 Y102 F420	V28-W98 WeakPolarHBondContact O-CH2 3.5Å; V28-W98 WeakPolarHBondContact O-CZ2 3.41Å; F31-W98 HydrophobicContact CE1-CD2 4Å; F31-W98 AromaticContact CE1-CE2 3.68Å; F31-W98 HydrophobicContact CE1-CG 4.35Å; F31-W98 HydrophobicContact CE1-CZ2 4.04Å; F31-W98 AromaticContact CE1-NE1 3.78Å; F31-W98 AromaticContact CZ-CD1 3.75Å; F31-W98 AromaticContact CZ-CD2 3.93Å; F31-W98 HydrophobicContact CZ-CD2 3.93Å; F31-W98 AromaticContact CZ-CE2 3.98Å; F31-W98 AromaticContact CZ-CG 3.83Å; F31-W98 HydrophobicContact CZ-CG 3.83Å; F31-W98 AromaticContact CZ-NE1 3.82Å; I85-W98 HydrophobicContact CD1-CB 3.83Å; I85-W98 HydrophobicContact CD1-CE3 4.43Å; I85-W98 HydrophobicContact CD1-CG 4.34Å; I90-W98 HydrophobicContact CG2-CE3 3.64Å; I90-W98 HydrophobicContact CG2-CZ3 3.64Å; Q92-W98 HydrophobicContact CB-CB 4.34Å; Q92-W98 HydrophobicContact CB-CE3 4.4Å; Q92-W98 HydrophobicContact CG-CE3 4.41Å; T94-W98 PolarHBondContact O-N 3.25Å; L95-W98 WeakPolarHBondContact O-CB 3.25Å; L95-W98 PolarHBondContact O-N 2.97Å; W98-T100 VanDerWaalsContact C-N 3.32Å; W98-T100 PolarHBondContact O-N 3.18Å; W98-H101 PolarHBondContact O-N 3.44Å; W98-H101 VanDerWaalsContact O-N 3.14Å; W98-Y102 AromaticContact CD2-CD2 3.73Å; W98-Y102 HydrophobicContact CD2-CD2 3.73Å; W98-Y102 HydrophobicContact CD2-CE2 4.22Å; W98-Y102 AromaticContact CE2-CD2 3.76Å; W98-Y102 AromaticContact CE3-CD2 3.71Å; W98-Y102 HydrophobicContact CE3-CD2 3.71Å; W98-Y102 AromaticContact CE3-CE2 3.7Å; W98-Y102 HydrophobicContact CE3-CE2 3.7Å; W98-Y102 HydrophobicContact CG-CD2 4.42Å; W98-Y102 AromaticContact CH2-CD2 3.77Å; W98-Y102 HydrophobicContact CH2-CD2 3.77Å; W98-Y102 AromaticContact CH2-CE2 3.68Å; W98-Y102 HydrophobicContact CH2-CE2 3.68Å; W98-Y102 AromaticContact CZ2-CD2 3.77Å; W98-Y102 HydrophobicContact CZ2-CD2 3.77Å; W98-Y102 HydrophobicContact CZ2-CE2 4.18Å; W98-Y102 HydrophobicContact CZ2-CG 4.29Å; W98-Y102 AromaticContact CZ3-CD2 3.73Å; W98-Y102 HydrophobicContact CZ3-CD2 3.73Å; W98-Y102 AromaticContact CZ3-CE2 3.41Å; W98-Y102 HydrophobicContact CZ3-CE2 3.41Å; W98-Y102 VanDerWaalsContact CZ3-CE2 3.41Å; W98-Y102 PolarHBondContact O-N 3.1Å; W98-F420 AromaticContact NE1-CE1 3.98Å
99	I	96.4	Very high	94.2	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-39.6	-179.9	-67.9	170.2	0	0	0	111.1	A77 L95 H101 Y102 P103 L106 G116 L118	A77-I99 HydrophobicContact CB-CD1 4.1Å; L95-I99 HydrophobicContact CD1-CD1 4.01Å; L95-I99 HydrophobicContact CD1-CG1 4.16Å; L95-I99 HydrophobicContact CD2-CD1 4.42Å; L95-I99 HydrophobicContact CG-CD1 3.83Å; L95-I99 HydrophobicContact CG-CG1 4.39Å; L95-I99 WeakPolarHBondContact O-CG1 3.47Å; L95-I99 PolarHBondContact O-N 3.35Å; I99-H101 VanDerWaalsContact C-N 3.28Å; I99-H101 PolarHBondContact O-N 2.89Å; I99-Y102 CarbonylContact O-C 3.52Å; I99-Y102 PolarHBondContact O-N 3.23Å; I99-P103 WeakPolarHBondContact O-CA 3.12Å; I99-P103 WeakPolarHBondContact O-CD 3.29Å; I99-L106 HydrophobicContact CD1-CD2 4.18Å; I99-L106 HydrophobicContact CG1-CD2 4.4Å; I99-L106 HydrophobicContact CG2-CD1 3.83Å; I99-L106 HydrophobicContact CG2-CD2 4.05Å; I99-L106 HydrophobicContact CG2-CG 4.03Å; I99-G116 WeakPolarHBondContact CG2-O 3.2Å; I99-L118 HydrophobicContact CD1-CB 3.99Å
100	T	95.7	Very high	94.7	Very high	116 Å²	116	44.2 Å²	44.2	71%	0.712	26%	0.261	S	S	*	.	H	α-helix	trans	-61.5	-38	176.6	-60.1	0	0	0	0	111.8	G96 Q97 W98	G96-T100 WeakPolarHBondContact O-CB 3.38Å; G96-T100 PolarHBondContact O-N 2.9Å; G96-T100 PolarHBondContact O-OG1 3.03Å; Q97-T100 PolarHBondContact O-N 3.23Å; W98-T100 VanDerWaalsContact C-N 3.32Å; W98-T100 PolarHBondContact O-N 3.18Å
101	H	94.2	Very high	95.2	Very high	119 Å²	119	46.8 Å²	46.8	55%	0.551	27%	0.271	S	S	*	.	H	α-helix	trans	-80.5	-36.2	-179.9	-161	91.8	0	0	0	112.6	Q97 W98 I99 P103	Q97-H101 PolarHBondContact O-N 3.2Å; Q97-H101 VanDerWaalsContact O-N 3.07Å; W98-H101 PolarHBondContact O-N 3.44Å; W98-H101 VanDerWaalsContact O-N 3.14Å; I99-H101 VanDerWaalsContact C-N 3.28Å; I99-H101 PolarHBondContact O-N 2.89Å; H101-P103 VanDerWaalsContact C-CD 3.43Å; H101-P103 WeakPolarHBondContact O-CD 3.42Å
102	Y	94.4	Very high	95.7	Very high	57 Å²	57	48.6 Å²	48.6	22%	0.224	27%	0.271	C	S	.	.			trans	-124.3	61.8	-176.8	-55.8	-76.7	0	0	0	112.1	W98 I99 A104 C105	W98-Y102 AromaticContact CD2-CD2 3.73Å; W98-Y102 HydrophobicContact CD2-CD2 3.73Å; W98-Y102 HydrophobicContact CD2-CE2 4.22Å; W98-Y102 AromaticContact CE2-CD2 3.76Å; W98-Y102 AromaticContact CE3-CD2 3.71Å; W98-Y102 HydrophobicContact CE3-CD2 3.71Å; W98-Y102 AromaticContact CE3-CE2 3.7Å; W98-Y102 HydrophobicContact CE3-CE2 3.7Å; W98-Y102 HydrophobicContact CG-CD2 4.42Å; W98-Y102 AromaticContact CH2-CD2 3.77Å; W98-Y102 HydrophobicContact CH2-CD2 3.77Å; W98-Y102 AromaticContact CH2-CE2 3.68Å; W98-Y102 HydrophobicContact CH2-CE2 3.68Å; W98-Y102 AromaticContact CZ2-CD2 3.77Å; W98-Y102 HydrophobicContact CZ2-CD2 3.77Å; W98-Y102 HydrophobicContact CZ2-CE2 4.18Å; W98-Y102 HydrophobicContact CZ2-CG 4.29Å; W98-Y102 AromaticContact CZ3-CD2 3.73Å; W98-Y102 HydrophobicContact CZ3-CD2 3.73Å; W98-Y102 AromaticContact CZ3-CE2 3.41Å; W98-Y102 HydrophobicContact CZ3-CE2 3.41Å; W98-Y102 VanDerWaalsContact CZ3-CE2 3.41Å; W98-Y102 PolarHBondContact O-N 3.1Å; I99-Y102 CarbonylContact O-C 3.52Å; I99-Y102 PolarHBondContact O-N 3.23Å; Y102-A104 PolarHBondContact O-N 3.06Å; Y102-C105 WeakPolarHBondContact O-CB 3.46Å; Y102-C105 PolarHBondContact O-N 3.42Å; Y102-C105 PolarHBondContact O-SG 3.43Å
103	P	95.2	Very high	96.1	Very high	50 Å²	50	50.1 Å²	50.1	33%	0.325	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-64.1	-17	-173.1	25.6	-35.8	0	0	0	113.8	I99 H101 C105 L106 K111	I99-P103 WeakPolarHBondContact O-CA 3.12Å; I99-P103 WeakPolarHBondContact O-CD 3.29Å; H101-P103 VanDerWaalsContact C-CD 3.43Å; H101-P103 WeakPolarHBondContact O-CD 3.42Å; P103-C105 PolarHBondContact O-N 3.14Å; P103-L106 WeakPolarHBondContact O-CB 3.44Å; P103-L106 PolarHBondContact O-N 3.41Å; P103-K111 HydrophobicContact CB-CD 4.26Å; P103-K111 HydrophobicContact CB-CG 4.24Å
104	A	94.4	Very high	96.3	Very high	78 Å²	78	48.1 Å²	48.1	65%	0.645	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-64	-21.9	172.5	0	0	0	0	0	113.3	Y102 L106 G107	Y102-A104 PolarHBondContact O-N 3.06Å; A104-L106 PolarHBondContact O-N 2.78Å; A104-L106 VanDerWaalsContact O-N 3.13Å; A104-G107 PolarHBondContact O-N 3.34Å; A104-G107 VanDerWaalsContact O-N 3.13Å
105	C	95.7	Very high	96.2	Very high	13 Å²	13	56 Å²	56	9%	0.088	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-60.5	-21.2	176.1	73.6	0	0	0	0	113	Y102 P103 G107 F420 A423	Y102-C105 WeakPolarHBondContact O-CB 3.46Å; Y102-C105 PolarHBondContact O-N 3.42Å; Y102-C105 PolarHBondContact O-SG 3.43Å; P103-C105 PolarHBondContact O-N 3.14Å; C105-G107 VanDerWaalsContact C-N 3.29Å; C105-G107 PolarHBondContact O-N 3.23Å; C105-F420 HydrophobicContact CB-CE1 4.5Å; C105-F420 HydrophobicContact CB-CZ 4.49Å; C105-A423 WeakPolarHBondContact O-CB 3.37Å; C105-A423 PolarHBondContact O-N 3.47Å
106	L	97.4	Very high	96.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-72.6	-18.6	178.8	-64.8	174.8	0	0	0	113.7	I99 P103 A104 V110 K111 G116 L118 S389 A390	I99-L106 HydrophobicContact CD1-CD2 4.18Å; I99-L106 HydrophobicContact CG1-CD2 4.4Å; I99-L106 HydrophobicContact CG2-CD1 3.83Å; I99-L106 HydrophobicContact CG2-CD2 4.05Å; I99-L106 HydrophobicContact CG2-CG 4.03Å; P103-L106 WeakPolarHBondContact O-CB 3.44Å; P103-L106 PolarHBondContact O-N 3.41Å; A104-L106 PolarHBondContact O-N 2.78Å; A104-L106 VanDerWaalsContact O-N 3.13Å; L106-V110 HydrophobicContact CB-CB 4.48Å; L106-V110 HydrophobicContact CB-CG1 4.27Å; L106-V110 WeakPolarHBondContact O-CB 3.2Å; L106-K111 HydrophobicContact CB-CB 4.23Å; L106-K111 HydrophobicContact CD1-CB 4.47Å; L106-G116 WeakPolarHBondContact CD1-O 3.39Å; L106-L118 HydrophobicContact CD2-CB 4.48Å; L106-L118 HydrophobicContact CD2-CD1 3.98Å; L106-S389 VanDerWaalsContact O-CA 3.25Å; L106-S389 WeakPolarHBondContact O-CA 2.98Å; L106-A390 HydrophobicContact CD2-CB 3.95Å; L106-A390 PolarHBondContact O-N 3.43Å; L106-A390 VanDerWaalsContact O-N 3.09Å
107	G	96.8	Very high	96.1	Very high	3 Å²	3	62.5 Å²	62.5	3%	0.031	34%	0.34	C	S	.	.			trans	87.4	146	-164.9	0	0	0	0	0	111	A104 C105 K109 V110 K111 A423	A104-G107 PolarHBondContact O-N 3.34Å; A104-G107 VanDerWaalsContact O-N 3.13Å; C105-G107 VanDerWaalsContact C-N 3.29Å; C105-G107 PolarHBondContact O-N 3.23Å; G107-K109 PolarHBondContact O-N 3.17Å; G107-V110 PolarHBondContact O-N 3.4Å; G107-K111 WeakPolarHBondContact O-CB 3.05Å; G107-K111 PolarHBondContact O-N 2.93Å; G107-A423 VanDerWaalsContact CA-CB 3.4Å; G107-A423 VanDerWaalsContact N-CB 3.29Å
108	S	95.6	Very high	96.1	Very high	67 Å²	67	58.7 Å²	58.7	47%	0.469	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-47.6	-169.4	56.9	0	0	0	0	112.4	K111 D112	S108-K111 PolarHBondContact O-N 3.11Å; S108-D112 WeakPolarHBondContact O-CB 3.49Å; S108-D112 PolarHBondContact O-N 3.11Å
109	K	97.1	Very high	96.2	Very high	99 Å²	99	58.5 Å²	58.5	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-62.9	-47.6	-178.9	-63.8	-179.6	178.9	-175	0	113	G107 D112 A113 L446	G107-K109 PolarHBondContact O-N 3.17Å; K109-D112 PolarHBondContact O-N 3.17Å; K109-A113 VanDerWaalsContact O-CB 3.25Å; K109-A113 WeakPolarHBondContact O-CB 3.29Å; K109-A113 PolarHBondContact O-N 3.37Å; K109-L446 HydrophobicContact CB-CB 4.26Å; K109-L446 WeakPolarHBondContact CD-O 3.32Å; K109-L446 WeakPolarHBondContact CD-OXT 3.43Å; K109-L446 PolarHBondContact NZ-O 3.36Å; K109-L446 PolarHBondContact NZ-OXT 3.1Å
110	V	97.8	Very high	96.3	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.024	32%	0.322	C	S	.	.	H	α-helix	trans	-65.2	-46	179.3	175.3	0	0	0	0	110.3	L106 G107 D112 A113 F114 P119 L446	L106-V110 HydrophobicContact CB-CB 4.48Å; L106-V110 HydrophobicContact CB-CG1 4.27Å; L106-V110 WeakPolarHBondContact O-CB 3.2Å; G107-V110 PolarHBondContact O-N 3.4Å; V110-D112 VanDerWaalsContact C-N 3.3Å; V110-D112 PolarHBondContact O-N 3.13Å; V110-A113 PolarHBondContact O-N 3.44Å; V110-F114 HydrophobicContact CG1-CD2 3.96Å; V110-F114 WeakPolarHBondContact O-CB 3.38Å; V110-F114 WeakPolarHBondContact O-CD2 3.29Å; V110-F114 PolarHBondContact O-N 2.95Å; V110-P119 HydrophobicContact CG1-CG 3.92Å; V110-L446 HydrophobicContact CG2-CD1 4.44Å
111	K	96.8	Very high	96.5	Very high	68 Å²	68	52.9 Å²	52.9	30%	0.296	29%	0.289	S	S	.	.	H	α-helix	trans	-55.8	-45.5	176.3	-176.6	-159.6	71.5	-178.3	0	111.4	P103 L106 G107 S108 Q115 G116	P103-K111 HydrophobicContact CB-CD 4.26Å; P103-K111 HydrophobicContact CB-CG 4.24Å; L106-K111 HydrophobicContact CB-CB 4.23Å; L106-K111 HydrophobicContact CD1-CB 4.47Å; G107-K111 WeakPolarHBondContact O-CB 3.05Å; G107-K111 PolarHBondContact O-N 2.93Å; S108-K111 PolarHBondContact O-N 3.11Å; K111-Q115 CarbonylContact O-C 3.56Å; K111-Q115 WeakPolarHBondContact O-CA 3.45Å; K111-Q115 PolarHBondContact O-N 3.03Å; K111-G116 PolarHBondContact O-N 3.11Å
112	D	97.2	Very high	96.7	Very high	113 Å²	113	47.2 Å²	47.2	60%	0.604	26%	0.262	S	S	*	.	H	α-helix	trans	-72.8	-42.4	-177.9	-66.1	-12.7	0	0	0	111.7	S108 K109 V110 F114	S108-D112 WeakPolarHBondContact O-CB 3.49Å; S108-D112 PolarHBondContact O-N 3.11Å; K109-D112 PolarHBondContact O-N 3.17Å; V110-D112 VanDerWaalsContact C-N 3.3Å; V110-D112 PolarHBondContact O-N 3.13Å; D112-F114 PolarHBondContact O-N 2.99Å
113	A	96.6	Very high	96.9	Very high	58 Å²	58	45 Å²	45	48%	0.479	25%	0.254	S	S	.	.	H	α-helix	trans	-67.9	-34.2	-179.7	0	0	0	0	0	113.5	K109 V110 L446	K109-A113 VanDerWaalsContact O-CB 3.25Å; K109-A113 WeakPolarHBondContact O-CB 3.29Å; K109-A113 PolarHBondContact O-N 3.37Å; V110-A113 PolarHBondContact O-N 3.44Å; A113-L446 HydrophobicContact CB-CD1 3.49Å; A113-L446 VanDerWaalsContact CB-CD1 3.49Å
114	F	96.2	Very high	97.1	Very high	34 Å²	34	42.6 Å²	42.6	15%	0.149	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	21	-175.2	-60.1	-79.6	0	0	0	113.5	V110 D112 G116 Q117 P119 P366 D367 L446	V110-F114 HydrophobicContact CG1-CD2 3.96Å; V110-F114 WeakPolarHBondContact O-CB 3.38Å; V110-F114 WeakPolarHBondContact O-CD2 3.29Å; V110-F114 PolarHBondContact O-N 2.95Å; D112-F114 PolarHBondContact O-N 2.99Å; F114-G116 VanDerWaalsContact C-N 3.27Å; F114-G116 PolarHBondContact O-N 3.12Å; F114-Q117 WeakPolarHBondContact O-CB 3.47Å; F114-Q117 PolarHBondContact O-N 3.17Å; F114-P119 HydrophobicContact CB-CB 4.35Å; F114-P119 HydrophobicContact CD1-CB 3.62Å; F114-P119 HydrophobicContact CD2-CB 3.57Å; F114-P119 HydrophobicContact CD2-CG 3.87Å; F114-P119 HydrophobicContact CE1-CB 3.62Å; F114-P119 HydrophobicContact CE2-CB 3.53Å; F114-P119 HydrophobicContact CE2-CG 3.86Å; F114-P119 HydrophobicContact CG-CB 3.6Å; F114-P119 HydrophobicContact CG-CG 4.31Å; F114-P119 HydrophobicContact CZ-CB 3.58Å; F114-P119 HydrophobicContact CZ-CG 4.33Å; F114-P366 HydrophobicContact CZ-CB 4.08Å; F114-P366 HydrophobicContact CZ-CG 4.14Å; F114-D367 HydrophobicContact CZ-CB 4.43Å; F114-L446 HydrophobicContact CD2-CD1 4.1Å; F114-L446 HydrophobicContact CE2-CD1 3.46Å; F114-L446 VanDerWaalsContact CE2-CD1 3.46Å; F114-L446 HydrophobicContact CE2-CG 4.47Å; F114-L446 HydrophobicContact CZ-CD1 4.33Å
115	Q	95.8	Very high	97.3	Very high	179 Å²	179	39 Å²	39	84%	0.836	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	41.1	170.8	-55.1	175	28.5	0	0	113.3	K111 Q117	K111-Q115 CarbonylContact O-C 3.56Å; K111-Q115 WeakPolarHBondContact O-CA 3.45Å; K111-Q115 PolarHBondContact O-N 3.03Å; Q115-Q117 VanDerWaalsContact C-N 3.32Å; Q115-Q117 PolarHBondContact O-N 3.19Å
116	G	95.7	Very high	97.4	Very high	18 Å²	18	38.3 Å²	38.3	19%	0.186	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	16.7	179.6	0	0	0	0	0	114.9	I99 L106 K111 F114	I99-G116 WeakPolarHBondContact CG2-O 3.2Å; L106-G116 WeakPolarHBondContact CD1-O 3.39Å; K111-G116 PolarHBondContact O-N 3.11Å; F114-G116 VanDerWaalsContact C-N 3.27Å; F114-G116 PolarHBondContact O-N 3.12Å
117	Q	96.4	Very high	97.5	Very high	132 Å²	132	38.3 Å²	38.3	62%	0.617	20%	0.204	S	C	*	.	S	Bend	trans	-105.5	151.3	175.5	-58.9	-174.4	-12.2	0	0	111.8	F114 Q115 P119	F114-Q117 WeakPolarHBondContact O-CB 3.47Å; F114-Q117 PolarHBondContact O-N 3.17Å; Q115-Q117 VanDerWaalsContact C-N 3.32Å; Q115-Q117 PolarHBondContact O-N 3.19Å; Q117-P119 WeakPolarHBondContact O-CD 3.28Å
118	L	97.7	Very high	97.6	Very high	10 Å²	10	41 Å²	41	5%	0.052	22%	0.217	C	C	.	.			trans	-68.8	121.6	167.7	-169.7	70.7	0	0	0	108.6	A77 L95 I99 L106 F120 C312 A390 I392	A77-L118 HydrophobicContact CB-CB 4.48Å; L95-L118 HydrophobicContact CD2-CD2 4.47Å; I99-L118 HydrophobicContact CD1-CB 3.99Å; L106-L118 HydrophobicContact CD2-CB 4.48Å; L106-L118 HydrophobicContact CD2-CD1 3.98Å; L118-F120 VanDerWaalsContact C-N 3.26Å; L118-F120 HydrophobicContact CD1-CE1 3.97Å; L118-F120 HydrophobicContact CD1-CZ 3.97Å; L118-F120 HydrophobicContact CD2-CE2 4.28Å; L118-F120 HydrophobicContact CD2-CZ 4.45Å; L118-F120 HydrophobicContact CG-CE1 4.39Å; L118-F120 HydrophobicContact CG-CZ 4.36Å; L118-F120 PolarHBondContact O-N 2.83Å; L118-C312 PolarHBondContact O-SG 2.86Å; L118-C312 VanDerWaalsContact O-SG 3.38Å; L118-A390 HydrophobicContact CD1-CB 4.37Å; L118-I392 HydrophobicContact CD2-CD1 4.18Å
119	P	97.6	Very high	97.7	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.039	21%	0.206	C	C	.	.			trans	-75.5	-12.8	-170	25.9	-32.6	0	0	0	114.9	V110 F114 Q117 A311 C312 D367	V110-P119 HydrophobicContact CG1-CG 3.92Å; F114-P119 HydrophobicContact CB-CB 4.35Å; F114-P119 HydrophobicContact CD1-CB 3.62Å; F114-P119 HydrophobicContact CD2-CB 3.57Å; F114-P119 HydrophobicContact CD2-CG 3.87Å; F114-P119 HydrophobicContact CE1-CB 3.62Å; F114-P119 HydrophobicContact CE2-CB 3.53Å; F114-P119 HydrophobicContact CE2-CG 3.86Å; F114-P119 HydrophobicContact CG-CB 3.6Å; F114-P119 HydrophobicContact CG-CG 4.31Å; F114-P119 HydrophobicContact CZ-CB 3.58Å; F114-P119 HydrophobicContact CZ-CG 4.33Å; Q117-P119 WeakPolarHBondContact O-CD 3.28Å; P119-A311 WeakPolarHBondContact O-CA 3.17Å; P119-C312 PolarHBondContact O-N 3.16Å; P119-D367 WeakPolarHBondContact CB-O 3.43Å; P119-D367 VanDerWaalsContact CG-O 3.29Å; P119-D367 WeakPolarHBondContact CG-O 3.25Å
120	F	98.6	Very high	97.8	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	157.2	-173.9	64.8	-100	0	0	0	113.3	L118 F122 M310 F368 I392 A442	L118-F120 VanDerWaalsContact C-N 3.26Å; L118-F120 HydrophobicContact CD1-CE1 3.97Å; L118-F120 HydrophobicContact CD1-CZ 3.97Å; L118-F120 HydrophobicContact CD2-CE2 4.28Å; L118-F120 HydrophobicContact CD2-CZ 4.45Å; L118-F120 HydrophobicContact CG-CE1 4.39Å; L118-F120 HydrophobicContact CG-CZ 4.36Å; L118-F120 PolarHBondContact O-N 2.83Å; F120-F122 HydrophobicContact CD2-CB 4.22Å; F120-F122 HydrophobicContact CE2-CB 4.24Å; F120-M310 CarbonylContact C-O 3.35Å; F120-M310 WeakPolarHBondContact CA-O 3.25Å; F120-M310 WeakPolarHBondContact CB-O 3.41Å; F120-F368 HydrophobicContact CB-CB 3.85Å; F120-F368 HydrophobicContact CB-CD1 4.35Å; F120-F368 HydrophobicContact CB-CG 4.45Å; F120-F368 HydrophobicContact CD1-CB 4.13Å; F120-F368 HydrophobicContact CG-CB 4.14Å; F120-I392 HydrophobicContact CE2-CD1 4.11Å; F120-I392 HydrophobicContact CE2-CG1 4.33Å; F120-A442 HydrophobicContact CD2-CB 4.03Å; F120-A442 HydrophobicContact CE2-CB 3.56Å; F120-A442 HydrophobicContact CZ-CB 3.99Å; F120-A442 WeakPolarHBondContact CZ-O 2.99Å
121	L	98.6	Very high	97.8	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.6	163.5	177.3	58.5	0	0	0	108.2	W74 H78 K123 M310	W74-L121 HydrophobicContact CB-CD1 4.23Å; W74-L121 HydrophobicContact CD2-CD2 3.93Å; W74-L121 HydrophobicContact CE3-CD2 3.87Å; W74-L121 HydrophobicContact CG-CD1 4.45Å; W74-L121 HydrophobicContact CG-CD2 4.46Å; W74-L121 HydrophobicContact CH2-CD2 4.43Å; W74-L121 HydrophobicContact CZ2-CD2 4.48Å; W74-L121 HydrophobicContact CZ3-CD2 4.13Å; H78-L121 HydrophobicContact CB-CD1 4.08Å; H78-L121 HydrophobicContact CB-CD2 4.08Å; L121-K123 HydrophobicContact CD2-CD 4.39Å; L121-K123 HydrophobicContact CD2-CG 4.43Å; L121-K123 HydrophobicContact CG-CD 4.45Å; L121-K123 HydrophobicContact CG-CG 3.99Å; L121-M310 HydrophobicContact CB-CG 4.11Å; L121-M310 PolarHBondContact N-O 3.4Å; L121-M310 PolarHBondContact O-N 3.44Å; L121-M310 VanDerWaalsContact O-N 3.14Å
122	F	98.8	Very high	97.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.7	178.3	-172.1	-134.9	0	0	0	109.9	M75 F120 I307 E308 C309 V370 I392 L394 F440 A442	M75-F122 WeakPolarHBondContact CA-O 3.24Å; M75-F122 HydrophobicContact CB-CB 4.28Å; M75-F122 HydrophobicContact CB-CD1 4.33Å; M75-F122 WeakPolarHBondContact CB-O 3.48Å; M75-F122 HydrophobicContact CE-CB 4.4Å; M75-F122 HydrophobicContact CE-CD1 3.42Å; M75-F122 VanDerWaalsContact CE-CD1 3.42Å; M75-F122 HydrophobicContact CE-CE1 3.77Å; M75-F122 HydrophobicContact CE-CG 3.89Å; M75-F122 PolarHBondContact N-O 3.21Å; M75-F122 PolarHBondContact O-N 2.68Å; M75-F122 HydrophobicContact SD-CD1 3.79Å; M75-F122 HydrophobicContact SD-CE1 4.12Å; F120-F122 HydrophobicContact CD2-CB 4.22Å; F120-F122 HydrophobicContact CE2-CB 4.24Å; F122-I307 HydrophobicContact CD2-CG2 4.22Å; F122-I307 HydrophobicContact CE2-CG2 3.2Å; F122-I307 HydrophobicContact CZ-CD1 4Å; F122-I307 HydrophobicContact CZ-CG2 3.66Å; F122-E308 WeakPolarHBondContact CD2-O 3.37Å; F122-C309 HydrophobicContact CD2-CB 4.05Å; F122-V370 HydrophobicContact CE2-CG1 4.34Å; F122-V370 HydrophobicContact CE2-CG2 4.38Å; F122-I392 HydrophobicContact CD1-CB 4.47Å; F122-I392 HydrophobicContact CD1-CG2 4.08Å; F122-L394 HydrophobicContact CE1-CB 3.92Å; F122-L394 HydrophobicContact CE1-CD2 4.42Å; F122-F440 HydrophobicContact CE1-CB 4.4Å; F122-F440 HydrophobicContact CZ-CB 3.73Å; F122-A442 HydrophobicContact CB-CB 3.88Å; F122-A442 HydrophobicContact CD1-CB 4Å; F122-A442 HydrophobicContact CD2-CB 3.61Å; F122-A442 HydrophobicContact CE1-CB 4.43Å; F122-A442 HydrophobicContact CE2-CB 4.04Å; F122-A442 HydrophobicContact CG-CB 3.58Å; F122-A442 HydrophobicContact CZ-CB 4.46Å
123	K	98.8	Very high	97.9	Very high	10 Å²	10	28 Å²	28	4%	0.043	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	161.2	-174.7	-50.7	-179.6	-162.9	154.2	0	113.9	L73 W74 M75 L121 L125 I307 E308 M310	L73-K123 WeakPolarHBondContact O-CA 3.36Å; L73-K123 WeakPolarHBondContact O-CB 3.3Å; W74-K123 HydrophobicContact CG-CG 4.43Å; M75-K123 VanDerWaalsContact CE-C 3.47Å; M75-K123 VanDerWaalsContact CE-CA 3.48Å; L121-K123 HydrophobicContact CD2-CD 4.39Å; L121-K123 HydrophobicContact CD2-CG 4.43Å; L121-K123 HydrophobicContact CG-CD 4.45Å; L121-K123 HydrophobicContact CG-CG 3.99Å; K123-L125 HydrophobicContact CB-CD1 3.66Å; K123-L125 HydrophobicContact CD-CD1 3.98Å; K123-I307 WeakPolarHBondContact O-CA 3.36Å; K123-E308 HydrophobicContact CB-CB 4.3Å; K123-E308 WeakPolarHBondContact CD-OE2 3.27Å; K123-E308 PolarHBondContact N-O 2.79Å; K123-E308 IonicContact NZ-OE2 3.9Å; K123-E308 PolarHBondContact NZ-OE2 3.3Å; K123-E308 PolarHBondContact O-N 3.1Å; K123-M310 VanDerWaalsContact CE-SD 3.58Å; K123-M310 PolarHBondContact NZ-SD 3.42Å
124	V	98.9	Very high	97.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.8	155.6	-177.3	0	0	0	0	108	E50 V51 L54 E72 L73 M75 L166 C306 I307 L394	E50-V124 HydrophobicContact CB-CG1 4.49Å; E50-V124 HydrophobicContact CG-CG1 4.09Å; V51-V124 HydrophobicContact CG2-CB 4.26Å; V51-V124 HydrophobicContact CG2-CG1 4.14Å; V51-V124 WeakPolarHBondContact CG2-O 3.48Å; L54-V124 HydrophobicContact CD1-CB 4.01Å; L54-V124 HydrophobicContact CD1-CG1 3.87Å; L54-V124 HydrophobicContact CD1-CG2 3.59Å; E72-V124 CarbonylContact C-O 3.54Å; E72-V124 VanDerWaalsContact CA-O 3.27Å; E72-V124 WeakPolarHBondContact CA-O 3.43Å; L73-V124 HydrophobicContact CB-CB 4.23Å; L73-V124 PolarHBondContact N-O 3.26Å; L73-V124 PolarHBondContact O-N 3.12Å; L73-V124 VanDerWaalsContact O-N 3.11Å; M75-V124 HydrophobicContact CE-CG2 4.06Å; V124-L166 HydrophobicContact CG1-CD1 3.88Å; V124-C306 CarbonylContact C-O 3.43Å; V124-C306 WeakPolarHBondContact CA-O 3.38Å; V124-I307 HydrophobicContact CG2-CD1 3.88Å; V124-L394 HydrophobicContact CG2-CD2 3.44Å; V124-L394 VanDerWaalsContact CG2-CD2 3.44Å
125	L	98.9	Very high	98	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141.4	173.5	-77.4	64.2	0	0	0	109.3	W42 A71 E72 K123 V127 Y301 D305 C306 E308	W42-L125 HydrophobicContact CH2-CB 4.45Å; W42-L125 HydrophobicContact CH2-CD2 4.4Å; W42-L125 HydrophobicContact CH2-CG 4.22Å; A71-L125 CarbonylContact O-C 3.57Å; A71-L125 WeakPolarHBondContact O-CA 3.47Å; E72-L125 HydrophobicContact CG-CG 4.18Å; K123-L125 HydrophobicContact CB-CD1 3.66Å; K123-L125 HydrophobicContact CD-CD1 3.98Å; L125-V127 HydrophobicContact CB-CG2 4.26Å; L125-Y301 HydrophobicContact CD2-CD2 3.59Å; L125-Y301 HydrophobicContact CD2-CE2 3.47Å; L125-Y301 VanDerWaalsContact CD2-CE2 3.47Å; L125-D305 VanDerWaalsContact O-CA 3.27Å; L125-D305 WeakPolarHBondContact O-CA 3.45Å; L125-C306 PolarHBondContact N-O 2.86Å; L125-C306 PolarHBondContact O-N 3.1Å; L125-E308 HydrophobicContact CD1-CB 3.51Å; L125-E308 HydrophobicContact CD1-CG 4.35Å
126	S	98.9	Very high	98.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	91.4	174.2	-167.3	0	0	0	0	110.7	G43 K44 S49 E50 A71 D305	G43-S126 CarbonylContact C-O 3.27Å; G43-S126 VanDerWaalsContact CA-O 3.3Å; G43-S126 WeakPolarHBondContact CA-O 3.29Å; K44-S126 WeakPolarHBondContact CD-OG 3.42Å; K44-S126 PolarHBondContact N-O 3.36Å; S49-S126 VanDerWaalsContact CA-OG 3.28Å; S49-S126 WeakPolarHBondContact CA-OG 3.25Å; S49-S126 VanDerWaalsContact OG-CB 3.23Å; S49-S126 WeakPolarHBondContact OG-CB 3.3Å; S49-S126 PolarHBondContact OG-OG 3.31Å; E50-S126 PolarHBondContact N-OG 2.8Å; E50-S126 VanDerWaalsContact N-OG 3.15Å; A71-S126 PolarHBondContact O-N 3.34Å; S126-D305 VanDerWaalsContact CA-OD1 3.23Å; S126-D305 WeakPolarHBondContact CA-OD1 3.46Å; S126-D305 VanDerWaalsContact CB-OD1 3.29Å; S126-D305 WeakPolarHBondContact CB-OD1 3.23Å; S126-D305 PolarHBondContact OG-OD1 3.32Å
127	V	98.8	Very high	98.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.9	-166.1	-174.9	0	0	0	0	111	W42 K44 L125 T129 L131 F169 Y303 G304	W42-V127 HydrophobicContact CE3-CB 4.5Å; W42-V127 HydrophobicContact CE3-CG1 4.45Å; W42-V127 HydrophobicContact CE3-CG2 4.35Å; W42-V127 HydrophobicContact CZ3-CB 4.34Å; W42-V127 HydrophobicContact CZ3-CG2 3.81Å; K44-V127 WeakPolarHBondContact CE-O 3.34Å; L125-V127 HydrophobicContact CB-CG2 4.26Å; V127-T129 VanDerWaalsContact CG1-O 3.3Å; V127-T129 WeakPolarHBondContact CG1-O 3.3Å; V127-L131 HydrophobicContact CB-CD1 4.43Å; V127-L131 HydrophobicContact CG1-CD1 3.55Å; V127-L131 HydrophobicContact CG2-CD1 4.06Å; V127-F169 HydrophobicContact CG2-CE2 4.1Å; V127-Y303 WeakPolarHBondContact O-CD2 3.44Å; V127-G304 WeakPolarHBondContact CB-O 3.22Å; V127-G304 PolarHBondContact N-O 2.95Å; V127-G304 PolarHBondContact O-N 2.8Å
128	N	98.4	Very high	98.2	Very high	60 Å²	60	11.5 Å²	11.5	32%	0.321	6%	0.063	S	C	.	.	S	Bend	trans	-104.5	-47	176	-169.8	33.9	0	0	0	112.2	W42 G43 K44 R263	W42-N128 WeakPolarHBondContact O-CA 3.3Å; W42-N128 VanDerWaalsContact O-CB 3.24Å; W42-N128 WeakPolarHBondContact O-CB 3.17Å; W42-N128 PolarHBondContact O-N 2.79Å; G43-N128 WeakPolarHBondContact O-CB 3.38Å; K44-N128 HydrophobicContact CB-CB 4.38Å; K44-N128 HydrophobicContact CG-CB 3.8Å; N128-R263 PolarHBondContact O-NH2 3.44Å
129	T	98.1	Very high	98.1	Very high	37 Å²	37	16.2 Å²	16.2	23%	0.227	8%	0.083	C	C	.	.	S	Bend	trans	-112.6	152.2	173.6	64.6	0	0	0	0	110.7	W42 V127 L131 Q267	W42-T129 WeakPolarHBondContact CA-OG1 3.28Å; W42-T129 WeakPolarHBondContact CB-OG1 3.22Å; W42-T129 PolarHBondContact O-N 2.88Å; W42-T129 VanDerWaalsContact O-N 3.13Å; V127-T129 VanDerWaalsContact CG1-O 3.3Å; V127-T129 WeakPolarHBondContact CG1-O 3.3Å; T129-L131 PolarHBondContact O-N 3.46Å; T129-Q267 HydrophobicContact CG2-CG 4.27Å
130	A	98.4	Very high	98.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-57.7	137.8	-178.8	0	0	0	0	0	111.5	L264 Y268 Y301 I302 L321	A130-L264 HydrophobicContact CB-CD2 3.5Å; A130-L264 VanDerWaalsContact CB-CD2 3.5Å; A130-Y268 HydrophobicContact CB-CE2 4.22Å; A130-Y268 VanDerWaalsContact O-CE2 3.3Å; A130-Y268 WeakPolarHBondContact O-CE2 3.3Å; A130-Y268 PolarHBondContact O-OH 3.19Å; A130-Y301 CarbonylContact C-O 3.55Å; A130-Y301 WeakPolarHBondContact CA-O 3.38Å; A130-I302 HydrophobicContact CB-CD1 3.69Å; A130-I302 HydrophobicContact CB-CG2 4.47Å; A130-L321 HydrophobicContact CB-CD1 4.11Å
131	L	98.5	Very high	98	Very high	21 Å²	21	24.1 Å²	24.1	11%	0.11	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-78.1	168.2	169.7	-80.9	68.1	0	0	0	109.5	W42 V127 T129 Y301	W42-L131 HydrophobicContact CD2-CD1 3.69Å; W42-L131 HydrophobicContact CD2-CG 4.18Å; W42-L131 HydrophobicContact CE3-CD1 3.67Å; W42-L131 HydrophobicContact CG-CD1 4.09Å; W42-L131 HydrophobicContact CG-CG 4.4Å; W42-L131 HydrophobicContact CH2-CD1 4.49Å; W42-L131 HydrophobicContact CZ2-CD1 4.49Å; W42-L131 HydrophobicContact CZ2-CD2 4.16Å; W42-L131 HydrophobicContact CZ3-CD1 4.12Å; V127-L131 HydrophobicContact CB-CD1 4.43Å; V127-L131 HydrophobicContact CG1-CD1 3.55Å; V127-L131 HydrophobicContact CG2-CD1 4.06Å; T129-L131 PolarHBondContact O-N 3.46Å; L131-Y301 HydrophobicContact CD2-CD2 4.09Å; L131-Y301 PolarHBondContact N-O 2.76Å
132	S	97.9	Very high	98	Very high	19 Å²	19	24 Å²	24	13%	0.133	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-59.9	140.3	175.2	56	0	0	0	0	111.2	Q134 G320 L321	S132-Q134 PolarHBondContact O-N 3.18Å; S132-G320 WeakPolarHBondContact CA-O 3.5Å; S132-L321 VanDerWaalsContact CA-O 3.3Å; S132-L321 WeakPolarHBondContact CA-O 3.25Å
133	I	98.6	Very high	97.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	128.7	164.8	-50.4	177.5	0	0	0	107.1	L172 L280 H299 A300 R318 A319 G320 L321	I133-L172 HydrophobicContact CD1-CD1 4.17Å; I133-L172 HydrophobicContact CG1-CD1 4.37Å; I133-L280 HydrophobicContact CG2-CD1 3.84Å; I133-H299 CarbonylContact C-O 3.48Å; I133-H299 WeakPolarHBondContact CA-O 3.4Å; I133-A300 HydrophobicContact CB-CB 4.4Å; I133-A300 HydrophobicContact CG1-CB 3.96Å; I133-R318 CarbonylContact O-C 3.56Å; I133-R318 VanDerWaalsContact O-CA 3.3Å; I133-R318 WeakPolarHBondContact O-CA 3.33Å; I133-A319 HydrophobicContact CB-CB 4.01Å; I133-A319 HydrophobicContact CG2-CB 3.78Å; I133-A319 PolarHBondContact O-N 2.97Å; I133-G320 PolarHBondContact N-O 2.86Å; I133-L321 HydrophobicContact CD1-CD1 4.05Å; I133-L321 HydrophobicContact CD1-CG 4.04Å; I133-L321 HydrophobicContact CG1-CB 4.41Å; I133-L321 HydrophobicContact CG1-CD1 3.72Å; I133-L321 HydrophobicContact CG1-CG 3.87Å
134	Q	97.3	Very high	97.9	Very high	23 Å²	23	28.7 Å²	28.7	11%	0.107	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	160.7	-173.1	68.4	-171.2	7.2	0	0	112.1	S132 P298 H299 T316 V317	S132-Q134 PolarHBondContact O-N 3.18Å; Q134-P298 CarbonylContact O-C 3.51Å; Q134-P298 VanDerWaalsContact O-CA 3.31Å; Q134-P298 WeakPolarHBondContact O-CA 3.37Å; Q134-H299 VanDerWaalsContact CG-NE2 3.28Å; Q134-H299 WeakPolarHBondContact CG-NE2 3.27Å; Q134-H299 PolarHBondContact N-O 3.46Å; Q134-H299 PolarHBondContact NE2-NE2 2.92Å; Q134-H299 VanDerWaalsContact NE2-NE2 3.12Å; Q134-H299 PolarHBondContact O-N 3.07Å; Q134-H299 PolarHBondContact O-ND1 3.3Å; Q134-T316 HydrophobicContact CB-CG2 3.69Å; Q134-T316 HydrophobicContact CG-CG2 4.38Å; Q134-T316 VanDerWaalsContact OE1-CG2 3.24Å; Q134-V317 CarbonylContact C-O 3.28Å; Q134-V317 WeakPolarHBondContact CA-O 3.28Å
135	A	98.1	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	154.7	165.5	0	0	0	0	0	109.1	V317 M334 L335	A135-V317 PolarHBondContact N-O 3.11Å; A135-V317 PolarHBondContact O-N 2.97Å; A135-M334 HydrophobicContact CB-CE 4.39Å; A135-L335 HydrophobicContact CB-CD2 3.4Å; A135-L335 VanDerWaalsContact CB-CD2 3.4Å
136	H	97.9	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.			trans	-114.4	133	-178.3	-58.2	-54.8	0	0	0	110.6	K159 E161 A295 N296 H299 N315 M334	H136-K159 HydrophobicContact CB-CB 3.82Å; H136-K159 PolarHBondContact CD2-O 2.79Å; H136-K159 VanDerWaalsContact CD2-O 3.3Å; H136-E161 IonicContact CD2-OE2 3.09Å; H136-E161 PolarHBondContact CD2-OE2 3.26Å; H136-E161 IonicContact NE2-OE1 3.06Å; H136-E161 IonicContact NE2-OE2 2.84Å; H136-E161 PolarHBondContact NE2-OE2 3.41Å; H136-A295 CarbonylContact O-C 3.59Å; H136-A295 WeakPolarHBondContact O-CA 3.23Å; H136-N296 PolarHBondContact O-N 3Å; H136-N296 PolarHBondContact O-OD1 2.84Å; H136-H299 AromaticContact CD2-CE1 3.48Å; H136-H299 PolarHBondContact CD2-CE1 2.76Å; H136-H299 VanDerWaalsContact CD2-CE1 3.48Å; H136-H299 AromaticContact CD2-NE2 3.95Å; H136-H299 AromaticContact NE2-CE1 3.41Å; H136-H299 PolarHBondContact NE2-CE1 2.98Å; H136-H299 AromaticContact NE2-NE2 3.43Å; H136-H299 PolarHBondContact NE2-NE2 3.48Å; H136-N315 PolarHBondContact ND1-O 2.96Å; H136-M334 VanDerWaalsContact C-CE 3.45Å
137	P	97.3	Very high	97.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.			trans	-65.4	152	179.1	27.3	-33.7	0	0	0	111	L141 A142 L145 N315 M334	P137-L141 HydrophobicContact CB-CB 3.92Å; P137-L141 HydrophobicContact CB-CD2 3.9Å; P137-L141 HydrophobicContact CB-CG 3.86Å; P137-A142 HydrophobicContact CB-CB 4.29Å; P137-A142 HydrophobicContact CG-CB 3.91Å; P137-L145 HydrophobicContact CB-CD1 4.22Å; P137-L145 HydrophobicContact CG-CD1 4.33Å; P137-N315 HydrophobicContact CG-CB 4.08Å; P137-M334 HydrophobicContact CB-CE 3.86Å; P137-M334 VanDerWaalsContact N-CE 3.29Å
138	N	96.8	Very high	97.5	Very high	51 Å²	51	41.4 Å²	41.4	27%	0.273	23%	0.228	S	C	.	.			trans	-66	170.2	163.1	69.1	1.4	0	0	0	110.1	E140 L141 A142 A295	N138-E140 VanDerWaalsContact C-N 3.29Å; N138-E140 VanDerWaalsContact CG-OE2 3.27Å; N138-E140 PolarHBondContact ND2-OE2 3.1Å; N138-E140 PolarHBondContact O-N 3.25Å; N138-L141 PolarHBondContact O-N 3.04Å; N138-L141 WeakPolarHBondContact OD1-CB 3.27Å; N138-L141 PolarHBondContact OD1-N 3.23Å; N138-A142 VanDerWaalsContact O-CB 3.3Å; N138-A142 WeakPolarHBondContact O-CB 3.48Å; N138-A142 PolarHBondContact O-N 2.97Å; N138-A295 HydrophobicContact CB-CB 3.86Å
139	K	95.1	Very high	97.4	Very high	108 Å²	108	42.5 Å²	42.5	47%	0.47	23%	0.23	S	C	.	.	H	α-helix	trans	-62.3	-37.3	-171.9	-164.2	164.7	-174.5	164.2	0	112.4	A143 H158	K139-A143 PolarHBondContact O-N 3.45Å; K139-A143 VanDerWaalsContact O-N 3.13Å; K139-H158 HydrophobicContact CB-CB 4.23Å
140	E	97.1	Very high	97.2	Very high	130 Å²	130	44 Å²	44	61%	0.607	24%	0.24	S	C	*	.	H	α-helix	trans	-66.5	-45.7	178.5	-60.4	75.9	-163.8	0	0	112.1	N138 T144	N138-E140 VanDerWaalsContact C-N 3.29Å; N138-E140 VanDerWaalsContact CG-OE2 3.27Å; N138-E140 PolarHBondContact ND2-OE2 3.1Å; N138-E140 PolarHBondContact O-N 3.25Å; E140-T144 PolarHBondContact O-N 3.13Å; E140-T144 PolarHBondContact O-OG1 3.27Å
141	L	97.4	Very high	96.9	Very high	44 Å²	44	50.1 Å²	50.1	23%	0.23	27%	0.269	C	S	.	.	H	α-helix	trans	-70.7	-37.5	178.4	-178.7	60.6	0	0	0	111.1	P137 N138 A143 T144 L145 M334	P137-L141 HydrophobicContact CB-CB 3.92Å; P137-L141 HydrophobicContact CB-CD2 3.9Å; P137-L141 HydrophobicContact CB-CG 3.86Å; N138-L141 PolarHBondContact O-N 3.04Å; N138-L141 WeakPolarHBondContact OD1-CB 3.27Å; N138-L141 PolarHBondContact OD1-N 3.23Å; L141-A143 PolarHBondContact O-N 2.89Å; L141-T144 WeakPolarHBondContact O-CB 3.35Å; L141-T144 PolarHBondContact O-N 2.86Å; L141-T144 VanDerWaalsContact O-N 3.16Å; L141-L145 HydrophobicContact CD1-CD1 4.03Å; L141-L145 HydrophobicContact CD1-CD2 4.38Å; L141-L145 HydrophobicContact CD1-CG 3.87Å; L141-L145 HydrophobicContact CD2-CD1 4.23Å; L141-L145 HydrophobicContact CG-CD1 3.69Å; L141-L145 HydrophobicContact CG-CG 4.03Å; L141-L145 WeakPolarHBondContact O-CB 3.47Å; L141-L145 VanDerWaalsContact O-CG 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.33Å; L141-L145 PolarHBondContact O-N 2.96Å; L141-M334 HydrophobicContact CD2-CB 3.54Å; L141-M334 HydrophobicContact CD2-CE 4.31Å
142	A	97.4	Very high	96.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.6	-47.5	175.5	0	0	0	0	0	111.5	P137 N138 T144 L145 H146 N157	P137-A142 HydrophobicContact CB-CB 4.29Å; P137-A142 HydrophobicContact CG-CB 3.91Å; N138-A142 VanDerWaalsContact O-CB 3.3Å; N138-A142 WeakPolarHBondContact O-CB 3.48Å; N138-A142 PolarHBondContact O-N 2.97Å; A142-T144 VanDerWaalsContact C-N 3.31Å; A142-T144 PolarHBondContact O-N 3.15Å; A142-L145 PolarHBondContact O-N 3.31Å; A142-H146 VanDerWaalsContact O-CB 3.28Å; A142-H146 WeakPolarHBondContact O-CB 3.32Å; A142-H146 PolarHBondContact O-N 2.67Å; A142-N157 WeakPolarHBondContact CB-O 3.3Å
143	A	97.6	Very high	96.5	Very high	43 Å²	43	52.8 Å²	52.8	36%	0.355	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-40.3	175.6	0	0	0	0	0	112.6	K139 L141 A147 N156	K139-A143 PolarHBondContact O-N 3.45Å; K139-A143 VanDerWaalsContact O-N 3.13Å; L141-A143 PolarHBondContact O-N 2.89Å; A143-A147 WeakPolarHBondContact O-CB 3.11Å; A143-A147 PolarHBondContact O-N 3.35Å; A143-A147 VanDerWaalsContact O-N 3.13Å; A143-N156 HydrophobicContact CB-CB 4.19Å
144	T	97.7	Very high	96.4	Very high	65 Å²	65	55.8 Å²	55.8	40%	0.399	30%	0.298	S	S	.	.	H	α-helix	trans	-65.1	-47.4	177.6	-58.2	0	0	0	0	111.6	E140 L141 A142 A147 Q148	E140-T144 PolarHBondContact O-N 3.13Å; E140-T144 PolarHBondContact O-OG1 3.27Å; L141-T144 WeakPolarHBondContact O-CB 3.35Å; L141-T144 PolarHBondContact O-N 2.86Å; L141-T144 VanDerWaalsContact O-N 3.16Å; A142-T144 VanDerWaalsContact C-N 3.31Å; A142-T144 PolarHBondContact O-N 3.15Å; T144-A147 PolarHBondContact O-N 3.1Å; T144-Q148 VanDerWaalsContact CG2-NE2 3.31Å; T144-Q148 WeakPolarHBondContact O-CG 3.41Å; T144-Q148 PolarHBondContact O-N 3.13Å; T144-Q148 VanDerWaalsContact O-N 3.17Å
145	L	96.9	Very high	96.3	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.037	30%	0.301	C	S	.	.	H	α-helix	trans	-67.4	-41.2	-179	-72.3	173.8	0	0	0	111.9	P137 L141 A142 A147 Q148 F149 Y153 T330	P137-L145 HydrophobicContact CB-CD1 4.22Å; P137-L145 HydrophobicContact CG-CD1 4.33Å; L141-L145 HydrophobicContact CD1-CD1 4.03Å; L141-L145 HydrophobicContact CD1-CD2 4.38Å; L141-L145 HydrophobicContact CD1-CG 3.87Å; L141-L145 HydrophobicContact CD2-CD1 4.23Å; L141-L145 HydrophobicContact CG-CD1 3.69Å; L141-L145 HydrophobicContact CG-CG 4.03Å; L141-L145 WeakPolarHBondContact O-CB 3.47Å; L141-L145 VanDerWaalsContact O-CG 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.33Å; L141-L145 PolarHBondContact O-N 2.96Å; A142-L145 PolarHBondContact O-N 3.31Å; L145-A147 VanDerWaalsContact C-N 3.33Å; L145-A147 PolarHBondContact O-N 2.54Å; L145-Q148 PolarHBondContact O-N 3Å; L145-F149 HydrophobicContact CD2-CD2 4.43Å; L145-F149 PolarHBondContact O-N 2.59Å; L145-Y153 HydrophobicContact CB-CD1 4.04Å; L145-Y153 HydrophobicContact CB-CD2 3.62Å; L145-Y153 HydrophobicContact CB-CE1 4.41Å; L145-Y153 HydrophobicContact CB-CE2 4.02Å; L145-Y153 HydrophobicContact CB-CG 3.61Å; L145-Y153 HydrophobicContact CD1-CD1 3.99Å; L145-Y153 HydrophobicContact CD1-CE1 3.7Å; L145-Y153 HydrophobicContact CD1-CE2 4.25Å; L145-Y153 HydrophobicContact CD1-CG 4.38Å; L145-Y153 HydrophobicContact CD2-CD2 4.31Å; L145-Y153 HydrophobicContact CD2-CE2 3.86Å; L145-Y153 HydrophobicContact CG-CD2 4.36Å; L145-Y153 HydrophobicContact CG-CE2 4.26Å; L145-T330 HydrophobicContact CD1-CG2 3.82Å; L145-T330 HydrophobicContact CD2-CG2 3.89Å; L145-T330 HydrophobicContact CG-CG2 4.5Å
146	H	97.6	Very high	96.1	Very high	60 Å²	60	60.9 Å²	60.9	28%	0.278	33%	0.326	S	S	.	.	H	α-helix	trans	-60.9	-42.1	174.8	-178.1	59.9	0	0	0	112.3	A142 Q148 P150 Y153 P154 D155 N156	A142-H146 VanDerWaalsContact O-CB 3.28Å; A142-H146 WeakPolarHBondContact O-CB 3.32Å; A142-H146 PolarHBondContact O-N 2.67Å; H146-Q148 VanDerWaalsContact C-N 3.3Å; H146-Q148 PolarHBondContact O-N 2.97Å; H146-P150 WeakPolarHBondContact O-CA 3.43Å; H146-P150 WeakPolarHBondContact O-CB 3.42Å; H146-P150 WeakPolarHBondContact O-CD 3.17Å; H146-Y153 PolarHBondContact ND1-O 2.76Å; H146-P154 PolarHBondContact CE1-O 2.79Å; H146-D155 WeakPolarHBondContact CB-O 3.4Å; H146-D155 PolarHBondContact ND1-N 3.44Å; H146-N156 HydrophobicContact CB-CB 4.31Å
147	A	97.7	Very high	96.1	Very high	82 Å²	82	62.3 Å²	62.3	68%	0.678	33%	0.333	S	S	*	.	H	α-helix	trans	-67.1	-30.5	178.4	0	0	0	0	0	113	A143 T144 L145	A143-A147 WeakPolarHBondContact O-CB 3.11Å; A143-A147 PolarHBondContact O-N 3.35Å; A143-A147 VanDerWaalsContact O-N 3.13Å; T144-A147 PolarHBondContact O-N 3.1Å; L145-A147 VanDerWaalsContact C-N 3.33Å; L145-A147 PolarHBondContact O-N 2.54Å
148	Q	96.3	Very high	96	Very high	118 Å²	118	63.8 Å²	63.8	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-92.2	-38.9	-176.9	-68.4	179	26.4	0	0	113.6	T144 L145 H146	T144-Q148 VanDerWaalsContact CG2-NE2 3.31Å; T144-Q148 WeakPolarHBondContact O-CG 3.41Å; T144-Q148 PolarHBondContact O-N 3.13Å; T144-Q148 VanDerWaalsContact O-N 3.17Å; L145-Q148 PolarHBondContact O-N 3Å; H146-Q148 VanDerWaalsContact C-N 3.3Å; H146-Q148 PolarHBondContact O-N 2.97Å
149	F	94.8	Very high	96	Very high	84 Å²	84	62 Å²	62	37%	0.368	33%	0.33	S	S	.	.			trans	-139.1	61.3	-172.4	-46.8	-73.2	0	0	0	111.3	L145 E151 H152 Y153	L145-F149 HydrophobicContact CD2-CD2 4.43Å; L145-F149 PolarHBondContact O-N 2.59Å; F149-E151 VanDerWaalsContact C-OE2 3.3Å; F149-E151 PolarHBondContact O-N 2.99Å; F149-E151 VanDerWaalsContact O-N 3.11Å; F149-H152 HydrophobicContact CB-CB 4.43Å; F149-H152 PolarHBondContact O-N 3.36Å; F149-Y153 HydrophobicContact CB-CD2 3.97Å; F149-Y153 HydrophobicContact CB-CE2 4.28Å; F149-Y153 HydrophobicContact CD2-CE2 4.44Å; F149-Y153 PolarHBondContact O-N 3.44Å
150	P	94.6	Very high	96.1	Very high	68 Å²	68	57.1 Å²	57.1	44%	0.442	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.4	-174	24.8	-34.7	0	0	0	114.3	H146 H152 Y153	H146-P150 WeakPolarHBondContact O-CA 3.43Å; H146-P150 WeakPolarHBondContact O-CB 3.42Å; H146-P150 WeakPolarHBondContact O-CD 3.17Å; P150-H152 VanDerWaalsContact C-N 3.28Å; P150-H152 PolarHBondContact O-N 3.24Å; P150-Y153 WeakPolarHBondContact CA-O 3.48Å; P150-Y153 CarbonylContact O-C 3.57Å
151	E	93.3	Very high	96.2	Very high	129 Å²	129	51.1 Å²	51.1	60%	0.603	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-23.2	174.6	70	-77.3	-176.8	0	0	113.6	F149	F149-E151 VanDerWaalsContact C-OE2 3.3Å; F149-E151 PolarHBondContact O-N 2.99Å; F149-E151 VanDerWaalsContact O-N 3.11Å
152	H	92.6	Very high	96.2	Very high	89 Å²	89	49 Å²	49	41%	0.412	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-30.3	178.9	-66.9	-37.1	0	0	0	112.4	F149 P150	F149-H152 HydrophobicContact CB-CB 4.43Å; F149-H152 PolarHBondContact O-N 3.36Å; P150-H152 VanDerWaalsContact C-N 3.28Å; P150-H152 PolarHBondContact O-N 3.24Å
153	Y	95.5	Very high	96.3	Very high	7 Å²	7	49 Å²	49	3%	0.027	27%	0.27	C	S	.	.	S	Bend	trans	-122.9	89.4	-179.8	-57	-77.9	0	0	0	108.5	L145 H146 F149 P150 D155 N315 V317 D327	L145-Y153 HydrophobicContact CB-CD1 4.04Å; L145-Y153 HydrophobicContact CB-CD2 3.62Å; L145-Y153 HydrophobicContact CB-CE1 4.41Å; L145-Y153 HydrophobicContact CB-CE2 4.02Å; L145-Y153 HydrophobicContact CB-CG 3.61Å; L145-Y153 HydrophobicContact CD1-CD1 3.99Å; L145-Y153 HydrophobicContact CD1-CE1 3.7Å; L145-Y153 HydrophobicContact CD1-CE2 4.25Å; L145-Y153 HydrophobicContact CD1-CG 4.38Å; L145-Y153 HydrophobicContact CD2-CD2 4.31Å; L145-Y153 HydrophobicContact CD2-CE2 3.86Å; L145-Y153 HydrophobicContact CG-CD2 4.36Å; L145-Y153 HydrophobicContact CG-CE2 4.26Å; H146-Y153 PolarHBondContact ND1-O 2.76Å; F149-Y153 HydrophobicContact CB-CD2 3.97Å; F149-Y153 HydrophobicContact CB-CE2 4.28Å; F149-Y153 HydrophobicContact CD2-CE2 4.44Å; F149-Y153 PolarHBondContact O-N 3.44Å; P150-Y153 WeakPolarHBondContact CA-O 3.48Å; P150-Y153 CarbonylContact O-C 3.57Å; Y153-D155 VanDerWaalsContact C-N 3.25Å; Y153-D155 PolarHBondContact O-N 2.84Å; Y153-N315 WeakPolarHBondContact CA-OD1 3.45Å; Y153-N315 WeakPolarHBondContact CB-OD1 3.47Å; Y153-V317 HydrophobicContact CE1-CG2 3.63Å; Y153-D327 PolarHBondContact OH-OD2 2.83Å
154	P	94.7	Very high	96.3	Very high	64 Å²	64	47 Å²	47	42%	0.416	25%	0.254	S	S	.	.			trans	-73.9	-12	-165.1	29.6	-37.4	0	0	0	114.6	H146 D314 N315	H146-P154 PolarHBondContact CE1-O 2.79Å; P154-D314 HydrophobicContact CG-CB 3.56Å; P154-N315 WeakPolarHBondContact CD-OD1 3.2Å
155	D	95.3	Very high	96.4	Very high	34 Å²	34	44 Å²	44	18%	0.182	24%	0.235	C	C	.	.			trans	-143.3	165.5	-179.3	62.6	82.1	0	0	0	111.4	H146 Y153 N157 S313 D314 N315	H146-D155 WeakPolarHBondContact CB-O 3.4Å; H146-D155 PolarHBondContact ND1-N 3.44Å; Y153-D155 VanDerWaalsContact C-N 3.25Å; Y153-D155 PolarHBondContact O-N 2.84Å; D155-N157 PolarHBondContact OD1-N 2.84Å; D155-S313 VanDerWaalsContact CG-OG 3.29Å; D155-S313 WeakPolarHBondContact OD1-CB 3.42Å; D155-S313 PolarHBondContact OD1-OG 2.79Å; D155-S313 PolarHBondContact OD2-OG 2.95Å; D155-D314 PolarHBondContact OD2-N 2.82Å; D155-N315 PolarHBondContact O-ND2 2.72Å; D155-N315 PolarHBondContact O-OD1 3.03Å; D155-N315 PolarHBondContact OD1-ND2 2.89Å; D155-N315 VanDerWaalsContact OD1-ND2 3.15Å
156	N	95.4	Very high	96.5	Very high	95 Å²	95	45.3 Å²	45.3	51%	0.508	24%	0.242	S	C	.	.	S	Bend	trans	-95.8	12.7	-178.4	65.2	1.1	0	0	0	113.5	A143 H146	A143-N156 HydrophobicContact CB-CB 4.19Å; H146-N156 HydrophobicContact CB-CB 4.31Å
157	N	96.1	Very high	96.5	Very high	30 Å²	30	44.6 Å²	44.6	16%	0.16	24%	0.242	C	C	.	.			trans	-99.5	155.6	-171.9	-159.8	25	0	0	0	111.7	A142 D155 C312 S313 N315	A142-N157 WeakPolarHBondContact CB-O 3.3Å; D155-N157 PolarHBondContact OD1-N 2.84Å; N157-C312 PolarHBondContact ND2-O 3.45Å; N157-C312 VanDerWaalsContact ND2-O 3.11Å; N157-S313 PolarHBondContact O-OG 3.46Å; N157-N315 PolarHBondContact O-ND2 2.87Å
158	H	96.6	Very high	96.6	Very high	31 Å²	31	46.5 Å²	46.5	14%	0.144	23%	0.231	C	C	.	.			trans	-74.1	169.9	167.5	68.4	174.4	0	0	0	111	K139 P160 S313 D367	K139-H158 HydrophobicContact CB-CB 4.23Å; H158-P160 VanDerWaalsContact CD2-CD 3.47Å; H158-P160 WeakPolarHBondContact CD2-CD 3.39Å; H158-S313 WeakPolarHBondContact O-CB 3.44Å; H158-D367 IonicContact CD2-OD1 2.65Å; H158-D367 IonicContact CE1-OD2 3.23Å; H158-D367 PolarHBondContact CE1-OD2 2.85Å; H158-D367 IonicContact NE2-OD1 2.84Å; H158-D367 PolarHBondContact NE2-OD1 3.01Å; H158-D367 IonicContact NE2-OD2 2.77Å; H158-D367 PolarHBondContact NE2-OD2 3.27Å; H158-D367 VanDerWaalsContact NE2-OD2 3.09Å
159	K	97.2	Very high	96.7	Very high	15 Å²	15	40.9 Å²	40.9	7%	0.065	21%	0.205	C	C	.	.			trans	-139.3	66.7	178.2	-166.2	178.9	166.2	145	0	111.7	H136 E161 M310 S313	H136-K159 HydrophobicContact CB-CB 3.82Å; H136-K159 PolarHBondContact CD2-O 2.79Å; H136-K159 VanDerWaalsContact CD2-O 3.3Å; K159-E161 WeakPolarHBondContact CE-OE1 3.49Å; K159-E161 HydrophobicContact CG-CG 4.11Å; K159-E161 IonicContact NZ-OE1 3.83Å; K159-M310 HydrophobicContact CD-CE 3.9Å; K159-M310 HydrophobicContact CG-CE 3.86Å; K159-S313 VanDerWaalsContact CD-O 3.25Å; K159-S313 WeakPolarHBondContact CD-O 3.49Å; K159-S313 WeakPolarHBondContact CE-O 3.35Å; K159-S313 PolarHBondContact NZ-O 2.92Å
160	P	96.9	Very high	96.9	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.026	19%	0.192	C	C	.	.			trans	-62.4	139.9	164.4	28.4	-36.2	0	0	0	109.8	H158 F292 M310 A311 V365 F368	H158-P160 VanDerWaalsContact CD2-CD 3.47Å; H158-P160 WeakPolarHBondContact CD2-CD 3.39Å; P160-F292 HydrophobicContact CB-CE2 3.79Å; P160-F292 HydrophobicContact CB-CZ 3.8Å; P160-M310 VanDerWaalsContact O-CA 3.27Å; P160-M310 WeakPolarHBondContact O-CA 3.24Å; P160-A311 HydrophobicContact CG-CB 3.84Å; P160-A311 PolarHBondContact O-N 2.81Å; P160-A311 VanDerWaalsContact O-N 3.07Å; P160-V365 HydrophobicContact CB-CG1 3.83Å; P160-V365 HydrophobicContact CB-CG2 4.31Å; P160-V365 HydrophobicContact CG-CB 4.27Å; P160-V365 HydrophobicContact CG-CG1 3.94Å; P160-V365 HydrophobicContact CG-CG2 4.23Å; P160-F368 HydrophobicContact CG-CE1 4.45Å
161	E	98	Very high	97.1	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.019	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	155.1	-179.1	-48.6	179.2	124.6	0	0	110	H136 K159 F292 L293 H299 C309 M310	H136-E161 IonicContact CD2-OE2 3.09Å; H136-E161 PolarHBondContact CD2-OE2 3.26Å; H136-E161 IonicContact NE2-OE1 3.06Å; H136-E161 IonicContact NE2-OE2 2.84Å; H136-E161 PolarHBondContact NE2-OE2 3.41Å; K159-E161 WeakPolarHBondContact CE-OE1 3.49Å; K159-E161 HydrophobicContact CG-CG 4.11Å; K159-E161 IonicContact NZ-OE1 3.83Å; E161-F292 WeakPolarHBondContact O-CD2 3.03Å; E161-L293 HydrophobicContact CB-CB 4.13Å; E161-L293 HydrophobicContact CB-CD1 3.98Å; E161-L293 PolarHBondContact N-O 2.91Å; E161-L293 PolarHBondContact O-N 3.14Å; E161-H299 IonicContact OE2-CE1 3.87Å; E161-H299 IonicContact OE2-NE2 3.45Å; E161-H299 PolarHBondContact OE2-NE2 3.2Å; E161-C309 CarbonylContact C-O 3.53Å; E161-C309 WeakPolarHBondContact CA-O 3.24Å; E161-M310 HydrophobicContact CB-CB 4.14Å; E161-M310 HydrophobicContact CG-CB 3.74Å
162	M	98.6	Very high	97.3	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.9	173.2	-179	170	66	0	0	109.4	I164 M291 F292 E308 C309 F347 P363 F368 V370	M162-I164 HydrophobicContact CE-CD1 4.11Å; M162-I164 HydrophobicContact CE-CG1 4.42Å; M162-I164 HydrophobicContact CG-CG1 4.38Å; M162-M291 WeakPolarHBondContact CA-O 3.36Å; M162-F292 HydrophobicContact CB-CD2 4.38Å; M162-E308 CarbonylContact O-C 3.17Å; M162-E308 VanDerWaalsContact O-CA 3.23Å; M162-E308 WeakPolarHBondContact O-CA 3.3Å; M162-C309 PolarHBondContact N-O 3.47Å; M162-C309 PolarHBondContact O-N 2.97Å; M162-F347 HydrophobicContact SD-CD1 4.44Å; M162-P363 HydrophobicContact SD-CG 4.35Å; M162-F368 HydrophobicContact CB-CE2 3.71Å; M162-F368 HydrophobicContact CB-CZ 4.07Å; M162-F368 HydrophobicContact CE-CD2 4.32Å; M162-F368 HydrophobicContact CE-CE2 3.98Å; M162-V370 HydrophobicContact CE-CB 3.57Å; M162-V370 HydrophobicContact CE-CG2 3.37Å
163	A	98.8	Very high	97.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.5	173.5	0	0	0	0	0	110	F169 A290 M291 Y301 I307	A163-F169 HydrophobicContact CB-CE1 4.34Å; A163-A290 CarbonylContact O-C 3.53Å; A163-A290 WeakPolarHBondContact O-CA 3.42Å; A163-A290 WeakPolarHBondContact O-CB 3.39Å; A163-M291 HydrophobicContact CB-CE 4.23Å; A163-M291 HydrophobicContact CB-CG 4.27Å; A163-M291 PolarHBondContact N-O 3.36Å; A163-M291 PolarHBondContact O-N 3.1Å; A163-Y301 HydrophobicContact CB-CE1 4.02Å; A163-I307 CarbonylContact C-O 3.49Å; A163-I307 WeakPolarHBondContact CA-O 3.27Å
164	I	98.9	Very high	97.8	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.1	173.1	-46.6	169.6	0	0	0	108.2	M162 L166 A290 C306 I307 Y361 V370 F440	M162-I164 HydrophobicContact CE-CD1 4.11Å; M162-I164 HydrophobicContact CE-CG1 4.42Å; M162-I164 HydrophobicContact CG-CG1 4.38Å; I164-L166 PolarHBondContact O-N 2.94Å; I164-A290 HydrophobicContact CB-CB 4.35Å; I164-A290 HydrophobicContact CG1-CB 3.9Å; I164-A290 HydrophobicContact CG2-CB 4.39Å; I164-C306 CarbonylContact O-C 3.57Å; I164-C306 WeakPolarHBondContact O-CA 3.31Å; I164-C306 VanDerWaalsContact O-CB 3.25Å; I164-C306 WeakPolarHBondContact O-CB 3.19Å; I164-I307 HydrophobicContact CB-CB 4.19Å; I164-I307 HydrophobicContact CD1-CG2 4.38Å; I164-I307 PolarHBondContact N-O 3.1Å; I164-I307 PolarHBondContact O-N 2.9Å; I164-Y361 HydrophobicContact CD1-CD1 4Å; I164-Y361 HydrophobicContact CD1-CD2 3.65Å; I164-Y361 HydrophobicContact CD1-CE1 4.28Å; I164-Y361 HydrophobicContact CD1-CE2 3.99Å; I164-Y361 HydrophobicContact CD1-CG 3.67Å; I164-Y361 HydrophobicContact CG1-CD1 4.12Å; I164-Y361 HydrophobicContact CG1-CE1 4.29Å; I164-Y361 HydrophobicContact CG1-CG 4.27Å; I164-Y361 HydrophobicContact CG2-CE1 3.88Å; I164-Y361 HydrophobicContact CG2-CE2 4.42Å; I164-V370 HydrophobicContact CD1-CB 3.91Å; I164-V370 HydrophobicContact CD1-CG1 3.61Å; I164-F440 HydrophobicContact CB-CE1 4.48Å; I164-F440 HydrophobicContact CD1-CD1 4.29Å; I164-F440 HydrophobicContact CD1-CE1 4Å; I164-F440 HydrophobicContact CG2-CE1 4.09Å; I164-F440 HydrophobicContact CG2-CZ 4.44Å
165	A	98.9	Very high	98	Very high	2 Å²	2	20.8 Å²	20.8	2%	0.017	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	127.5	-174.4	0	0	0	0	0	112.4	T167 F169 L285 E286 P287 G288 Q289	A165-T167 WeakPolarHBondContact CB-O 3.45Å; A165-F169 HydrophobicContact CB-CB 3.84Å; A165-L285 HydrophobicContact CB-CB 3.77Å; A165-E286 WeakPolarHBondContact CB-O 3.29Å; A165-P287 WeakPolarHBondContact O-CA 3.42Å; A165-G288 PolarHBondContact O-N 2.9Å; A165-Q289 PolarHBondContact N-O 3.06Å
166	L	98.8	Very high	98.1	Very high	33 Å²	33	19.9 Å²	19.9	17%	0.173	10%	0.096	C	C	.	.	S	Bend	trans	-94	-37.6	168.1	-68.2	176.3	0	0	0	110.9	E50 V124 I164 D305 I307 I396 F440	E50-L166 HydrophobicContact CG-CD1 3.93Å; V124-L166 HydrophobicContact CG1-CD1 3.88Å; I164-L166 PolarHBondContact O-N 2.94Å; L166-D305 HydrophobicContact CB-CB 4.22Å; L166-D305 PolarHBondContact N-O 2.54Å; L166-I307 HydrophobicContact CD1-CD1 4.33Å; L166-I307 HydrophobicContact CD1-CG1 4.13Å; L166-I307 HydrophobicContact CD2-CD1 4.48Å; L166-I307 HydrophobicContact CD2-CG1 3.83Å; L166-I307 HydrophobicContact CG-CG1 4.01Å; L166-I396 HydrophobicContact CD1-CD1 4.36Å; L166-I396 HydrophobicContact CD2-CD1 4.39Å; L166-I396 HydrophobicContact CD2-CG1 4.39Å; L166-I396 HydrophobicContact CD2-CG2 4.37Å; L166-F440 HydrophobicContact CD2-CE2 3.81Å; L166-F440 HydrophobicContact CD2-CZ 4.2Å
167	T	98.8	Very high	98.3	Very high	46 Å²	46	16.5 Å²	16.5	28%	0.282	8%	0.079	S	C	.	.	S	Bend	trans	-116.4	177.4	166.9	67.6	0	0	0	0	109.2	A165 F169 D305	A165-T167 WeakPolarHBondContact CB-O 3.45Å; T167-F169 PolarHBondContact O-N 3.18Å; T167-D305 HydrophobicContact CG2-CB 4.07Å; T167-D305 WeakPolarHBondContact CG2-OD2 3.25Å; T167-D305 PolarHBondContact N-O 2.98Å; T167-D305 PolarHBondContact OG1-N 3.37Å
168	R	98.6	Very high	98.4	Very high	121 Å²	121	15.8 Å²	15.8	46%	0.457	8%	0.076	S	C	.	.	S	Bend	trans	-52.6	115.1	165.1	-173	172	177.4	-93.9	-1.8	109.6	V284 L285 E286	R168-V284 HydrophobicContact CG-CG1 3.74Å; R168-V284 VanDerWaalsContact NE-CG1 3.34Å; R168-L285 WeakPolarHBondContact CA-O 3.34Å; R168-E286 IonicContact NE-OE1 3.66Å
169	F	98.9	Very high	98.4	Very high	1 Å²	1	19.9 Å²	19.9	0%	0.004	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.5	-169	-173.5	-97.6	0	0	0	110.1	V127 A163 A165 T167 V284 L285 M291 Y301 Y303 C306	V127-F169 HydrophobicContact CG2-CE2 4.1Å; A163-F169 HydrophobicContact CB-CE1 4.34Å; A165-F169 HydrophobicContact CB-CB 3.84Å; T167-F169 PolarHBondContact O-N 3.18Å; F169-V284 CarbonylContact O-C 3.6Å; F169-V284 WeakPolarHBondContact O-CA 3.24Å; F169-L285 HydrophobicContact CB-CB 4.35Å; F169-L285 HydrophobicContact CD1-CD1 4.29Å; F169-L285 PolarHBondContact N-O 2.86Å; F169-L285 PolarHBondContact O-N 3.3Å; F169-M291 HydrophobicContact CE1-CE 3.96Å; F169-Y301 AromaticContact CE1-CD1 3.66Å; F169-Y301 HydrophobicContact CE1-CD1 3.66Å; F169-Y301 HydrophobicContact CE1-CE1 4.17Å; F169-Y301 HydrophobicContact CE1-CG 4.07Å; F169-Y301 AromaticContact CZ-CD1 3.62Å; F169-Y301 HydrophobicContact CZ-CD1 3.62Å; F169-Y301 HydrophobicContact CZ-CD2 4.07Å; F169-Y301 HydrophobicContact CZ-CE1 4.23Å; F169-Y301 AromaticContact CZ-CG 3.52Å; F169-Y301 HydrophobicContact CZ-CG 3.52Å; F169-Y303 CarbonylContact C-O 3.59Å; F169-Y303 WeakPolarHBondContact CA-O 3.5Å; F169-C306 HydrophobicContact CD2-CB 3.82Å; F169-C306 HydrophobicContact CE2-CB 3.76Å; F169-C306 WeakPolarHBondContact CE2-SG 3.41Å; F169-C306 HydrophobicContact CG-CB 4.26Å; F169-C306 HydrophobicContact CZ-CB 4.13Å; F169-C306 VanDerWaalsContact CZ-SG 3.58Å
170	Q	98.8	Very high	98.5	Very high	18 Å²	18	22.5 Å²	22.5	8%	0.084	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.1	-173.1	-62.8	168.8	16.7	0	0	108.9	Y282 V283 V284 I302 Y303	Q170-Y282 HydrophobicContact CB-CE2 3.96Å; Q170-Y282 HydrophobicContact CG-CE2 4.46Å; Q170-Y282 WeakPolarHBondContact CG-OH 3.37Å; Q170-Y282 PolarHBondContact OE1-OH 2.96Å; Q170-V283 WeakPolarHBondContact CA-O 3.27Å; Q170-V284 HydrophobicContact CG-CG2 4.42Å; Q170-I302 HydrophobicContact CB-CB 4.02Å; Q170-I302 HydrophobicContact CB-CG2 4.47Å; Q170-I302 WeakPolarHBondContact O-CA 3.41Å; Q170-I302 WeakPolarHBondContact O-CB 3.19Å; Q170-I302 PolarHBondContact O-N 2.95Å; Q170-Y303 PolarHBondContact N-O 2.82Å; Q170-Y303 PolarHBondContact O-N 2.79Å
171	G	98.5	Very high	98.6	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	163.9	180	0	0	0	0	0	112.9	V283 A300	G171-V283 PolarHBondContact N-O 2.8Å; G171-V283 PolarHBondContact O-N 3.09Å; G171-A300 CarbonylContact C-O 3.6Å; G171-A300 WeakPolarHBondContact CA-O 3.5Å
172	L	98.7	Very high	98.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.6	161	-59.5	175.1	0	0	0	107.9	I133 L260 I277 L280 N281 Y282 H299 A300 I302	I133-L172 HydrophobicContact CD1-CD1 4.17Å; I133-L172 HydrophobicContact CG1-CD1 4.37Å; L172-L260 HydrophobicContact CD2-CD2 4.44Å; L172-I277 HydrophobicContact CD1-CG2 4.16Å; L172-I277 HydrophobicContact CD2-CG2 4.4Å; L172-L280 HydrophobicContact CB-CB 4.23Å; L172-L280 HydrophobicContact CB-CD1 4.16Å; L172-L280 HydrophobicContact CD1-CD1 4.29Å; L172-N281 CarbonylContact C-O 3.49Å; L172-N281 WeakPolarHBondContact CA-O 3.25Å; L172-Y282 HydrophobicContact CD2-CD2 4.19Å; L172-H299 CarbonylContact O-C 3.56Å; L172-H299 WeakPolarHBondContact O-CA 3.45Å; L172-H299 WeakPolarHBondContact O-CB 3.49Å; L172-A300 HydrophobicContact CB-CB 4.24Å; L172-A300 HydrophobicContact CD1-CB 4.24Å; L172-A300 HydrophobicContact CG-CB 4.47Å; L172-A300 PolarHBondContact N-O 2.67Å; L172-A300 PolarHBondContact O-N 2.94Å; L172-I302 HydrophobicContact CD1-CD1 4.23Å; L172-I302 HydrophobicContact CG-CD1 4.09Å; L172-I302 HydrophobicContact CG-CG1 4.3Å
173	C	98.4	Very high	98.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	114.7	177.9	-175.4	0	0	0	0	113.1	N281 V283 M291 L293 K345	C173-N281 PolarHBondContact N-O 3.23Å; C173-N281 WeakPolarHBondContact O-CB 3.31Å; C173-N281 PolarHBondContact O-ND2 2.89Å; C173-V283 HydrophobicContact CB-CG2 4.24Å; C173-M291 HydrophobicContact CB-SD 4.19Å; C173-L293 HydrophobicContact CB-CD2 4.4Å; C173-K345 HydrophobicContact CB-CB 4.42Å; C173-K345 HydrophobicContact CB-CG 4.41Å
174	G	98.4	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66	167.3	176.2	0	0	0	0	0	113.9	L280 N281 P298	G174-L280 CarbonylContact O-C 3.53Å; G174-L280 VanDerWaalsContact O-CA 3.25Å; G174-L280 WeakPolarHBondContact O-CA 3.43Å; G174-N281 PolarHBondContact O-N 3.19Å; G174-N281 PolarHBondContact O-ND2 2.74Å; G174-P298 PolarHBondContact N-O 3.18Å
175	F	98.7	Very high	98.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	135.8	177	-67.2	-79.5	0	0	0	111.1	L217 F221 F279 L280 N281 P298 L335 Y337 P339 A340	F175-L217 HydrophobicContact CB-CD2 3.87Å; F175-L217 HydrophobicContact CD1-CD1 4.25Å; F175-L217 HydrophobicContact CD1-CD2 3.92Å; F175-L217 HydrophobicContact CD1-CG 4.25Å; F175-L217 HydrophobicContact CD2-CD2 4.28Å; F175-L217 HydrophobicContact CG-CD2 3.76Å; F175-F221 HydrophobicContact CE1-CB 4.5Å; F175-F221 AromaticContact CE1-CD2 3.8Å; F175-F221 HydrophobicContact CE1-CD2 3.8Å; F175-F221 HydrophobicContact CE1-CE2 4.24Å; F175-F221 HydrophobicContact CE1-CG 4.17Å; F175-F221 HydrophobicContact CZ-CD2 4.28Å; F175-F221 HydrophobicContact CZ-CG 4.33Å; F175-F279 VanDerWaalsContact CA-O 3.31Å; F175-F279 WeakPolarHBondContact CA-O 3.23Å; F175-F279 HydrophobicContact CD1-CB 4.1Å; F175-F279 HydrophobicContact CE1-CB 4.2Å; F175-L280 HydrophobicContact CD1-CD2 4.1Å; F175-L280 HydrophobicContact CE1-CD2 4.26Å; F175-N281 PolarHBondContact O-ND2 3.15Å; F175-P298 HydrophobicContact CD2-CG 4.2Å; F175-P298 HydrophobicContact CE2-CG 3.8Å; F175-P298 HydrophobicContact CZ-CG 4.04Å; F175-L335 HydrophobicContact CE2-CB 4.19Å; F175-L335 HydrophobicContact CE2-CD1 4.19Å; F175-L335 HydrophobicContact CZ-CB 4.49Å; F175-L335 HydrophobicContact CZ-CD1 3.79Å; F175-Y337 HydrophobicContact CD2-CD1 4.31Å; F175-Y337 HydrophobicContact CE1-CD1 4.22Å; F175-Y337 HydrophobicContact CE1-CE1 4.24Å; F175-Y337 AromaticContact CE2-CD1 3.56Å; F175-Y337 HydrophobicContact CE2-CD1 3.56Å; F175-Y337 AromaticContact CE2-CE1 3.92Å; F175-Y337 HydrophobicContact CE2-CE1 3.92Å; F175-Y337 HydrophobicContact CE2-CG 4.25Å; F175-Y337 AromaticContact CZ-CD1 3.5Å; F175-Y337 HydrophobicContact CZ-CD1 3.5Å; F175-Y337 AromaticContact CZ-CE1 3.46Å; F175-Y337 HydrophobicContact CZ-CE1 3.46Å; F175-Y337 VanDerWaalsContact CZ-CE1 3.46Å; F175-P339 HydrophobicContact CB-CB 4.4Å; F175-P339 WeakPolarHBondContact O-CA 3.47Å; F175-A340 PolarHBondContact O-N 2.93Å; F175-A340 VanDerWaalsContact O-O 3.13Å
176	R	98.5	Very high	98.5	Very high	14 Å²	14	34.2 Å²	34.2	5%	0.053	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-73.9	166.1	175.3	72.4	176.5	58.6	-129.6	11.6	111.5	E180 I181 F184 I277 Y278 F279 L280 N281 P339	R176-E180 HydrophobicContact CG-CB 4.1Å; R176-E180 IonicContact CZ-OE2 2.89Å; R176-E180 IonicContact NH1-OE2 3.22Å; R176-E180 PolarHBondContact NH1-OE2 3.34Å; R176-I181 HydrophobicContact CG-CD1 4.08Å; R176-I181 HydrophobicContact CG-CG1 3.41Å; R176-I181 VanDerWaalsContact CG-CG1 3.41Å; R176-F184 VanDerWaalsContact CZ-CE2 3.42Å; R176-I277 PolarHBondContact NH2-O 3.27Å; R176-Y278 WeakPolarHBondContact CD-O 3.27Å; R176-Y278 PolarHBondContact NE-O 2.9Å; R176-F279 WeakPolarHBondContact CG-O 3.34Å; R176-F279 PolarHBondContact N-O 2.79Å; R176-L280 PolarHBondContact NE-O 3.04Å; R176-L280 VanDerWaalsContact NE-O 3.1Å; R176-L280 PolarHBondContact NH2-O 3Å; R176-N281 WeakPolarHBondContact CA-OD1 3.39Å; R176-N281 VanDerWaalsContact CB-OD1 3.25Å; R176-N281 WeakPolarHBondContact CB-OD1 3.34Å; R176-P339 WeakPolarHBondContact O-CB 3.5Å
177	P	98.4	Very high	98.4	Very high	25 Å²	25	34.4 Å²	34.4	16%	0.162	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-52.9	143.5	173.8	-27.6	38.4	0	0	0	112.8	D179 E180 I181 A340	P177-D179 VanDerWaalsContact C-N 3.28Å; P177-D179 WeakPolarHBondContact CB-OD1 3.33Å; P177-D179 PolarHBondContact O-N 3.22Å; P177-E180 HydrophobicContact CB-CG 4.3Å; P177-E180 WeakPolarHBondContact CD-OE1 3.36Å; P177-E180 WeakPolarHBondContact O-CB 3.37Å; P177-E180 PolarHBondContact O-N 3.32Å; P177-E180 VanDerWaalsContact O-N 3.09Å; P177-I181 PolarHBondContact O-N 2.99Å; P177-A340 WeakPolarHBondContact CD-O 3.33Å
178	V	98.4	Very high	98.4	Very high	15 Å²	15	32.2 Å²	32.2	9%	0.091	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-37.7	-173.5	174.3	0	0	0	0	112.2	E180 I181 L182 L203 V207 T213 P339	V178-E180 VanDerWaalsContact C-N 3.31Å; V178-E180 PolarHBondContact O-N 3.43Å; V178-I181 PolarHBondContact O-N 3.44Å; V178-L182 HydrophobicContact CG1-CD1 3.92Å; V178-L182 HydrophobicContact CG1-CG 4.21Å; V178-L182 VanDerWaalsContact O-CG 3.29Å; V178-L182 WeakPolarHBondContact O-CG 3.25Å; V178-L182 PolarHBondContact O-N 3.24Å; V178-L203 HydrophobicContact CG1-CD1 3.76Å; V178-L203 HydrophobicContact CG1-CD2 4.21Å; V178-L203 HydrophobicContact CG1-CG 3.71Å; V178-L203 HydrophobicContact CG2-CD1 4.25Å; V178-V207 HydrophobicContact CG1-CG2 3.86Å; V178-T213 HydrophobicContact CG2-CG2 3.5Å; V178-P339 HydrophobicContact CG2-CB 4.22Å; V178-P339 HydrophobicContact CG2-CG 3.9Å
179	D	97.9	Very high	98.4	Very high	116 Å²	116	30.2 Å²	30.2	62%	0.62	17%	0.17	S	C	*	.	H	α-helix	trans	-59.7	-39.3	175.3	56.8	-43.8	0	0	0	112.2	P177 L182 G183	P177-D179 VanDerWaalsContact C-N 3.28Å; P177-D179 WeakPolarHBondContact CB-OD1 3.33Å; P177-D179 PolarHBondContact O-N 3.22Å; D179-L182 PolarHBondContact O-N 2.85Å; D179-G183 PolarHBondContact O-N 2.8Å
180	E	98.3	Very high	98.4	Very high	71 Å²	71	31 Å²	31	33%	0.332	17%	0.174	S	C	.	.	H	α-helix	trans	-66	-43.1	172.9	-64.6	-176.8	-152.4	0	0	111.9	R176 P177 V178 L182 G183 F184	R176-E180 HydrophobicContact CG-CB 4.1Å; R176-E180 IonicContact CZ-OE2 2.89Å; R176-E180 IonicContact NH1-OE2 3.22Å; R176-E180 PolarHBondContact NH1-OE2 3.34Å; P177-E180 HydrophobicContact CB-CG 4.3Å; P177-E180 WeakPolarHBondContact CD-OE1 3.36Å; P177-E180 WeakPolarHBondContact O-CB 3.37Å; P177-E180 PolarHBondContact O-N 3.32Å; P177-E180 VanDerWaalsContact O-N 3.09Å; V178-E180 VanDerWaalsContact C-N 3.31Å; V178-E180 PolarHBondContact O-N 3.43Å; E180-L182 VanDerWaalsContact C-N 3.32Å; E180-L182 PolarHBondContact O-N 2.81Å; E180-G183 WeakPolarHBondContact O-CA 3.45Å; E180-G183 PolarHBondContact O-N 3.44Å; E180-G183 VanDerWaalsContact O-N 3.1Å; E180-F184 WeakPolarHBondContact O-CD2 3.42Å; E180-F184 PolarHBondContact O-N 2.92Å
181	I	98.7	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-45.1	176.8	-58.1	173	0	0	0	110.2	R176 P177 V178 G183 F184 L185 L203 L217 F279	R176-I181 HydrophobicContact CG-CD1 4.08Å; R176-I181 HydrophobicContact CG-CG1 3.41Å; R176-I181 VanDerWaalsContact CG-CG1 3.41Å; P177-I181 PolarHBondContact O-N 2.99Å; V178-I181 PolarHBondContact O-N 3.44Å; I181-G183 VanDerWaalsContact C-N 3.28Å; I181-G183 PolarHBondContact O-N 3.07Å; I181-F184 PolarHBondContact O-N 3.24Å; I181-L185 HydrophobicContact CG2-CD1 4.23Å; I181-L185 WeakPolarHBondContact O-CG 3.46Å; I181-L185 PolarHBondContact O-N 3.34Å; I181-L203 HydrophobicContact CB-CD2 4.5Å; I181-L203 HydrophobicContact CG2-CD2 4Å; I181-L217 HydrophobicContact CD1-CD1 3.54Å; I181-F279 HydrophobicContact CD1-CD1 4.12Å; I181-F279 HydrophobicContact CG2-CD1 4.02Å; I181-F279 HydrophobicContact CG2-CE1 3.96Å
182	L	98.5	Very high	98.4	Very high	29 Å²	29	32.9 Å²	32.9	15%	0.152	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-35.8	175.8	-69.1	171.3	0	0	0	111.7	V178 D179 E180 L185 Q186 L203 R204	V178-L182 HydrophobicContact CG1-CD1 3.92Å; V178-L182 HydrophobicContact CG1-CG 4.21Å; V178-L182 VanDerWaalsContact O-CG 3.29Å; V178-L182 WeakPolarHBondContact O-CG 3.25Å; V178-L182 PolarHBondContact O-N 3.24Å; D179-L182 PolarHBondContact O-N 2.85Å; E180-L182 VanDerWaalsContact C-N 3.32Å; E180-L182 PolarHBondContact O-N 2.81Å; L182-L185 HydrophobicContact CD2-CD1 4.12Å; L182-L185 PolarHBondContact O-N 3.35Å; L182-Q186 PolarHBondContact O-N 3.19Å; L182-L203 HydrophobicContact CD2-CD2 4.34Å; L182-L203 HydrophobicContact CD2-CG 4.43Å; L182-R204 HydrophobicContact CD1-CB 4.23Å; L182-R204 HydrophobicContact CD1-CG 4.41Å; L182-R204 HydrophobicContact CD2-CB 4.07Å
183	G	98.1	Very high	98.3	Very high	32 Å²	32	35.7 Å²	35.7	33%	0.33	21%	0.205	S	C	.	.	H	α-helix	trans	-59	-46.4	171.1	0	0	0	0	0	112.4	D179 E180 I181 Q186 A187	D179-G183 PolarHBondContact O-N 2.8Å; E180-G183 WeakPolarHBondContact O-CA 3.45Å; E180-G183 PolarHBondContact O-N 3.44Å; E180-G183 VanDerWaalsContact O-N 3.1Å; I181-G183 VanDerWaalsContact C-N 3.28Å; I181-G183 PolarHBondContact O-N 3.07Å; G183-Q186 WeakPolarHBondContact O-CB 3.15Å; G183-Q186 PolarHBondContact O-N 2.97Å; G183-A187 WeakPolarHBondContact O-CB 3.45Å; G183-A187 PolarHBondContact O-N 3Å
184	F	98.6	Very high	98.3	Very high	20 Å²	20	36.2 Å²	36.2	9%	0.088	21%	0.208	C	C	.	.	H	α-helix	trans	-66.5	-39	174.6	-69.6	-64.7	0	0	0	112.9	R176 E180 I181 Q186 A187 V188 F191 S255 N257 Y278	R176-F184 VanDerWaalsContact CZ-CE2 3.42Å; E180-F184 WeakPolarHBondContact O-CD2 3.42Å; E180-F184 PolarHBondContact O-N 2.92Å; I181-F184 PolarHBondContact O-N 3.24Å; F184-Q186 PolarHBondContact O-N 2.92Å; F184-A187 PolarHBondContact O-N 3.23Å; F184-V188 HydrophobicContact CD1-CG2 4.34Å; F184-V188 WeakPolarHBondContact O-CA 3.18Å; F184-V188 VanDerWaalsContact O-CB 3.29Å; F184-V188 WeakPolarHBondContact O-CB 3.22Å; F184-V188 PolarHBondContact O-N 3.47Å; F184-F191 HydrophobicContact CB-CD1 4.1Å; F184-F191 HydrophobicContact CB-CE1 4.12Å; F184-S255 WeakPolarHBondContact CD1-O 3.29Å; F184-S255 WeakPolarHBondContact CE1-O 3.39Å; F184-N257 WeakPolarHBondContact CE1-ND2 3.38Å; F184-N257 WeakPolarHBondContact CZ-ND2 3.39Å; F184-Y278 HydrophobicContact CB-CD1 3.94Å; F184-Y278 HydrophobicContact CB-CG 4.21Å; F184-Y278 AromaticContact CD1-CD1 3.4Å; F184-Y278 HydrophobicContact CD1-CD1 3.4Å; F184-Y278 AromaticContact CD1-CE1 3.8Å; F184-Y278 HydrophobicContact CD1-CE1 3.8Å; F184-Y278 HydrophobicContact CD1-CG 4.44Å; F184-Y278 HydrophobicContact CD2-CD1 4.22Å; F184-Y278 AromaticContact CE1-CD1 3.94Å; F184-Y278 HydrophobicContact CE1-CD1 3.94Å; F184-Y278 HydrophobicContact CE1-CE1 4.2Å; F184-Y278 AromaticContact CG-CD1 3.56Å; F184-Y278 HydrophobicContact CG-CD1 3.56Å; F184-Y278 HydrophobicContact CG-CE1 4.4Å; F184-Y278 HydrophobicContact CG-CG 4.24Å
185	L	98.4	Very high	98.3	Very high	9 Å²	9	36.3 Å²	36.3	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-60.3	-28.6	173.8	-72.7	166.9	0	0	0	112.2	I181 L182 F191 H192 V195 A200	I181-L185 HydrophobicContact CG2-CD1 4.23Å; I181-L185 WeakPolarHBondContact O-CG 3.46Å; I181-L185 PolarHBondContact O-N 3.34Å; L182-L185 HydrophobicContact CD2-CD1 4.12Å; L182-L185 PolarHBondContact O-N 3.35Å; L185-F191 HydrophobicContact CD2-CD1 3.68Å; L185-F191 HydrophobicContact CD2-CE1 3.52Å; L185-F191 HydrophobicContact CD2-CG 4.45Å; L185-F191 HydrophobicContact CD2-CZ 4.17Å; L185-F191 HydrophobicContact CG-CD1 4.05Å; L185-F191 HydrophobicContact CG-CE1 3.66Å; L185-H192 HydrophobicContact CD2-CB 4.08Å; L185-H192 WeakPolarHBondContact O-CB 3.39Å; L185-V195 HydrophobicContact CD2-CB 3.8Å; L185-V195 HydrophobicContact CD2-CG1 4.02Å; L185-V195 HydrophobicContact CD2-CG2 3.88Å; L185-A200 HydrophobicContact CD1-CB 3.92Å
186	Q	97.3	Very high	98.3	Very high	167 Å²	167	37.6 Å²	37.6	78%	0.78	22%	0.222	S	C	*	.	H	α-helix	trans	-80.6	-42.6	173.8	-174.2	177.3	12.3	0	0	112.6	L182 G183 F184	L182-Q186 PolarHBondContact O-N 3.19Å; G183-Q186 WeakPolarHBondContact O-CB 3.15Å; G183-Q186 PolarHBondContact O-N 2.97Å; F184-Q186 PolarHBondContact O-N 2.92Å
187	A	97.6	Very high	98.2	Very high	37 Å²	37	46.3 Å²	46.3	31%	0.306	26%	0.255	S	S	.	.	H	α-helix	trans	-83.2	-20.1	-173.6	0	0	0	0	0	114.2	G183 F184 P189	G183-A187 WeakPolarHBondContact O-CB 3.45Å; G183-A187 PolarHBondContact O-N 3Å; F184-A187 PolarHBondContact O-N 3.23Å; A187-P189 WeakPolarHBondContact O-CD 3.35Å
188	V	98.5	Very high	98.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.281	C	S	.	.			trans	-124.8	88.5	-172.7	-169.8	0	0	0	0	109.6	F184 E190 F191 H192 L239 Y278	F184-V188 HydrophobicContact CD1-CG2 4.34Å; F184-V188 WeakPolarHBondContact O-CA 3.18Å; F184-V188 VanDerWaalsContact O-CB 3.29Å; F184-V188 WeakPolarHBondContact O-CB 3.22Å; F184-V188 PolarHBondContact O-N 3.47Å; V188-E190 PolarHBondContact O-N 3.38Å; V188-F191 HydrophobicContact CB-CB 3.85Å; V188-F191 HydrophobicContact CG1-CB 3.59Å; V188-F191 WeakPolarHBondContact O-CB 3.49Å; V188-F191 PolarHBondContact O-N 3.18Å; V188-F191 VanDerWaalsContact O-N 3.16Å; V188-H192 PolarHBondContact O-N 3.32Å; V188-H192 VanDerWaalsContact O-N 3.08Å; V188-L239 HydrophobicContact CG1-CD1 3.64Å; V188-L239 HydrophobicContact CG1-CD2 3.99Å; V188-L239 HydrophobicContact CG1-CG 4.45Å; V188-Y278 HydrophobicContact CG1-CE2 4.12Å; V188-Y278 HydrophobicContact CG2-CE1 4.06Å
189	P	98.4	Very high	98.2	Very high	79 Å²	79	50.8 Å²	50.8	51%	0.513	28%	0.277	S	S	.	.	H	α-helix	trans	-56.6	-36.4	-178	-27.1	35.7	0	0	0	114	A187 H192 A193	A187-P189 WeakPolarHBondContact O-CD 3.35Å; P189-H192 PolarHBondContact O-N 2.97Å; P189-A193 PolarHBondContact O-N 3.09Å
190	E	98.6	Very high	98.2	Very high	17 Å²	17	45.6 Å²	45.6	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-67.5	-38.6	-179.1	-55.3	86.4	172.4	0	0	110.9	V188 A193 L194 E235 E238 L239 R242 F275	V188-E190 PolarHBondContact O-N 3.38Å; E190-A193 WeakPolarHBondContact O-CB 3.19Å; E190-A193 PolarHBondContact O-N 3.19Å; E190-L194 PolarHBondContact O-N 3.4Å; E190-E235 WeakPolarHBondContact CA-OE2 3.24Å; E190-E235 HydrophobicContact CB-CB 4.22Å; E190-E235 WeakPolarHBondContact CB-OE2 3.11Å; E190-E238 HydrophobicContact CG-CB 4.46Å; E190-L239 HydrophobicContact CB-CB 3.92Å; E190-L239 HydrophobicContact CG-CB 3.81Å; E190-R242 IonicContact OE1-CZ 3.17Å; E190-R242 IonicContact OE1-NE 3.63Å; E190-R242 PolarHBondContact OE1-NE 3.45Å; E190-R242 IonicContact OE1-NH2 3.67Å; E190-R242 IonicContact OE2-CZ 3.45Å; E190-R242 IonicContact OE2-NE 2.78Å; E190-R242 PolarHBondContact OE2-NE 3.11Å; E190-R242 IonicContact OE2-NH2 3.56Å; E190-R242 PolarHBondContact OE2-NH2 2.89Å; E190-F275 HydrophobicContact CB-CE1 4.29Å; E190-F275 HydrophobicContact CB-CZ 4.42Å
191	F	98.7	Very high	98.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.1	-43.6	172.7	173.4	-126.7	0	0	0	111.5	F184 L185 V188 A193 L194 V195 M224 F275 Y278 F279	F184-F191 HydrophobicContact CB-CD1 4.1Å; F184-F191 HydrophobicContact CB-CE1 4.12Å; L185-F191 HydrophobicContact CD2-CD1 3.68Å; L185-F191 HydrophobicContact CD2-CE1 3.52Å; L185-F191 HydrophobicContact CD2-CG 4.45Å; L185-F191 HydrophobicContact CD2-CZ 4.17Å; L185-F191 HydrophobicContact CG-CD1 4.05Å; L185-F191 HydrophobicContact CG-CE1 3.66Å; V188-F191 HydrophobicContact CB-CB 3.85Å; V188-F191 HydrophobicContact CG1-CB 3.59Å; V188-F191 WeakPolarHBondContact O-CB 3.49Å; V188-F191 PolarHBondContact O-N 3.18Å; V188-F191 VanDerWaalsContact O-N 3.16Å; F191-A193 VanDerWaalsContact C-N 3.28Å; F191-A193 PolarHBondContact O-N 3.48Å; F191-L194 PolarHBondContact O-N 2.94Å; F191-V195 HydrophobicContact CD2-CG2 4.23Å; F191-V195 HydrophobicContact CE2-CG2 3.73Å; F191-V195 HydrophobicContact CZ-CG2 3.91Å; F191-V195 PolarHBondContact O-N 3.09Å; F191-M224 HydrophobicContact CE2-SD 4.47Å; F191-F275 HydrophobicContact CB-CD1 4.01Å; F191-F275 HydrophobicContact CB-CE1 4.16Å; F191-F275 HydrophobicContact CD2-CB 4.47Å; F191-F275 HydrophobicContact CD2-CD1 4.01Å; F191-F275 HydrophobicContact CG-CD1 4.47Å; F191-Y278 HydrophobicContact CB-CD2 3.94Å; F191-Y278 HydrophobicContact CB-CE2 4.26Å; F191-Y278 HydrophobicContact CD1-CD2 4.16Å; F191-Y278 HydrophobicContact CD1-CG 4.12Å; F191-Y278 AromaticContact CD2-CD2 3.79Å; F191-Y278 HydrophobicContact CD2-CD2 3.79Å; F191-Y278 HydrophobicContact CD2-CG 4.37Å; F191-Y278 HydrophobicContact CE1-CG 4.34Å; F191-Y278 HydrophobicContact CE2-CD2 4.32Å; F191-Y278 AromaticContact CG-CD2 3.7Å; F191-Y278 HydrophobicContact CG-CD2 3.7Å; F191-Y278 HydrophobicContact CG-CE2 4.5Å; F191-Y278 HydrophobicContact CG-CG 4.14Å; F191-F279 AromaticContact CE2-CD2 3.81Å; F191-F279 HydrophobicContact CE2-CD2 3.81Å; F191-F279 AromaticContact CE2-CE2 3.32Å; F191-F279 HydrophobicContact CE2-CE2 3.32Å; F191-F279 AromaticContact CE2-CZ 3.85Å; F191-F279 HydrophobicContact CE2-CZ 3.85Å; F191-F279 HydrophobicContact CZ-CD1 4.47Å; F191-F279 AromaticContact CZ-CD2 3.86Å; F191-F279 HydrophobicContact CZ-CD2 3.86Å; F191-F279 HydrophobicContact CZ-CE1 4.1Å; F191-F279 AromaticContact CZ-CE2 3.47Å; F191-F279 HydrophobicContact CZ-CE2 3.47Å; F191-F279 VanDerWaalsContact CZ-CE2 3.47Å; F191-F279 HydrophobicContact CZ-CG 4.36Å; F191-F279 AromaticContact CZ-CZ 3.59Å; F191-F279 HydrophobicContact CZ-CZ 3.59Å
192	H	98.6	Very high	98.1	Very high	60 Å²	60	49.4 Å²	49.4	28%	0.278	27%	0.269	S	S	.	.	H	α-helix	trans	-64.4	-32.5	176.8	-174	-155.8	0	0	0	112.5	L185 V188 P189 L194 V195 G196	L185-H192 HydrophobicContact CD2-CB 4.08Å; L185-H192 WeakPolarHBondContact O-CB 3.39Å; V188-H192 PolarHBondContact O-N 3.32Å; V188-H192 VanDerWaalsContact O-N 3.08Å; P189-H192 PolarHBondContact O-N 2.97Å; H192-L194 VanDerWaalsContact C-N 3.3Å; H192-L194 PolarHBondContact O-N 3.32Å; H192-V195 PolarHBondContact O-N 3.05Å; H192-G196 WeakPolarHBondContact O-CA 3.24Å; H192-G196 PolarHBondContact O-N 2.87Å
193	A	98.3	Very high	98.1	Very high	58 Å²	58	48 Å²	48	48%	0.479	26%	0.261	S	S	.	.	H	α-helix	trans	-60.8	-38.6	174.1	0	0	0	0	0	112.1	P189 E190 F191 E235	P189-A193 PolarHBondContact O-N 3.09Å; E190-A193 WeakPolarHBondContact O-CB 3.19Å; E190-A193 PolarHBondContact O-N 3.19Å; F191-A193 VanDerWaalsContact C-N 3.28Å; F191-A193 PolarHBondContact O-N 3.48Å; A193-E235 HydrophobicContact CB-CG 4.47Å
194	L	98.1	Very high	98.1	Very high	11 Å²	11	53.2 Å²	53.2	6%	0.058	27%	0.271	C	S	.	.	H	α-helix	trans	-73.1	-38.7	177.5	-58.3	-172.6	0	0	0	113.4	E190 F191 H192 M224 C227 V231 F232 E235 F275	E190-L194 PolarHBondContact O-N 3.4Å; F191-L194 PolarHBondContact O-N 2.94Å; H192-L194 VanDerWaalsContact C-N 3.3Å; H192-L194 PolarHBondContact O-N 3.32Å; L194-M224 HydrophobicContact CD1-CG 4.36Å; L194-C227 HydrophobicContact CD2-CB 4.46Å; L194-V231 HydrophobicContact CD2-CG1 4.31Å; L194-F232 HydrophobicContact CD1-CB 3.88Å; L194-F232 HydrophobicContact CD2-CB 3.94Å; L194-E235 HydrophobicContact CD2-CB 4.18Å; L194-E235 HydrophobicContact CD2-CG 3.88Å; L194-F275 HydrophobicContact CD1-CD1 4.05Å; L194-F275 HydrophobicContact CD1-CD2 3.46Å; L194-F275 VanDerWaalsContact CD1-CD2 3.46Å; L194-F275 HydrophobicContact CD1-CE1 4.03Å; L194-F275 HydrophobicContact CD1-CE2 3.42Å; L194-F275 VanDerWaalsContact CD1-CE2 3.42Å; L194-F275 HydrophobicContact CD1-CG 3.78Å; L194-F275 HydrophobicContact CD1-CZ 3.72Å
195	V	98.3	Very high	98.1	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-74.3	-40.6	179.8	172.9	0	0	0	0	111.3	L185 F191 H192 A199 A200 C220 F279	L185-V195 HydrophobicContact CD2-CB 3.8Å; L185-V195 HydrophobicContact CD2-CG1 4.02Å; L185-V195 HydrophobicContact CD2-CG2 3.88Å; F191-V195 HydrophobicContact CD2-CG2 4.23Å; F191-V195 HydrophobicContact CE2-CG2 3.73Å; F191-V195 HydrophobicContact CZ-CG2 3.91Å; F191-V195 PolarHBondContact O-N 3.09Å; H192-V195 PolarHBondContact O-N 3.05Å; V195-A199 HydrophobicContact CG1-CB 4.07Å; V195-A199 WeakPolarHBondContact O-CB 3.49Å; V195-A200 HydrophobicContact CG1-CB 4.49Å; V195-C220 HydrophobicContact CG1-CB 3.78Å; V195-F279 HydrophobicContact CG2-CE2 4.22Å; V195-F279 HydrophobicContact CG2-CZ 3.75Å
196	G	97.8	Very high	98	Very high	28 Å²	28	54.2 Å²	54.2	29%	0.289	28%	0.281	S	S	.	.			trans	82.4	147.6	-177.5	0	0	0	0	0	113.6	H192 D198 A199 A200	H192-G196 WeakPolarHBondContact O-CA 3.24Å; H192-G196 PolarHBondContact O-N 2.87Å; G196-D198 VanDerWaalsContact C-N 3.34Å; G196-D198 PolarHBondContact O-N 3.38Å; G196-A199 PolarHBondContact O-N 2.86Å; G196-A200 PolarHBondContact O-N 3.48Å; G196-A200 VanDerWaalsContact O-N 3.1Å
197	R	96.8	Very high	97.8	Very high	197 Å²	197	50.8 Å²	50.8	74%	0.743	27%	0.271	S	S	*	.	H	α-helix	trans	-56	-44.4	-175.2	-175.4	-178	-65.5	-152.8	-0.3	113.2	A199 A200 E201	R197-A199 PolarHBondContact O-N 3.34Å; R197-A200 PolarHBondContact O-N 3.36Å; R197-E201 WeakPolarHBondContact O-CB 3.3Å; R197-E201 PolarHBondContact O-N 3.22Å
198	D	97.9	Very high	97.5	Very high	131 Å²	131	53.1 Å²	53.1	70%	0.701	30%	0.299	S	S	*	.	H	α-helix	trans	-66.1	-39.4	-174.9	-62.1	-12.8	0	0	0	112	G196 E202	G196-D198 VanDerWaalsContact C-N 3.34Å; G196-D198 PolarHBondContact O-N 3.38Å; D198-E202 WeakPolarHBondContact O-CB 3.3Å; D198-E202 PolarHBondContact O-N 2.78Å
199	A	98.2	Very high	97.4	Very high	2 Å²	2	56.7 Å²	56.7	2%	0.017	32%	0.318	C	S	.	.	H	α-helix	trans	-71.5	-40.8	177.5	0	0	0	0	0	111.2	V195 G196 R197 E202 L203 K219 C220	V195-A199 HydrophobicContact CG1-CB 4.07Å; V195-A199 WeakPolarHBondContact O-CB 3.49Å; G196-A199 PolarHBondContact O-N 2.86Å; R197-A199 PolarHBondContact O-N 3.34Å; A199-E202 PolarHBondContact O-N 3.24Å; A199-L203 PolarHBondContact O-N 2.9Å; A199-K219 HydrophobicContact CB-CD 4.45Å; A199-K219 HydrophobicContact CB-CG 4.27Å; A199-C220 PolarHBondContact O-SG 2.83Å; A199-C220 VanDerWaalsContact O-SG 3.34Å
200	A	98.2	Very high	97.2	Very high	8 Å²	8	59.9 Å²	59.9	7%	0.066	33%	0.326	C	S	.	.	H	α-helix	trans	-61.5	-42.5	175.9	0	0	0	0	0	112.5	L185 V195 G196 R197 L203 R204	L185-A200 HydrophobicContact CD1-CB 3.92Å; V195-A200 HydrophobicContact CG1-CB 4.49Å; G196-A200 PolarHBondContact O-N 3.48Å; G196-A200 VanDerWaalsContact O-N 3.1Å; R197-A200 PolarHBondContact O-N 3.36Å; A200-L203 PolarHBondContact O-N 3.06Å; A200-R204 PolarHBondContact O-N 2.78Å
201	E	97.9	Very high	97.1	Very high	93 Å²	93	63.6 Å²	63.6	44%	0.435	35%	0.35	S	S	.	.	H	α-helix	trans	-70.6	-35.9	177.3	-169.3	57.5	-144.3	0	0	111.7	R197 L203 R204 S205	R197-E201 WeakPolarHBondContact O-CB 3.3Å; R197-E201 PolarHBondContact O-N 3.22Å; E201-L203 VanDerWaalsContact C-N 3.35Å; E201-L203 PolarHBondContact O-N 3.3Å; E201-R204 PolarHBondContact O-N 3.47Å; E201-R204 IonicContact OE2-CZ 2.81Å; E201-R204 IonicContact OE2-NE 3.86Å; E201-R204 IonicContact OE2-NH1 2.65Å; E201-R204 PolarHBondContact OE2-NH1 3.12Å; E201-S205 WeakPolarHBondContact O-CB 3.38Å; E201-S205 PolarHBondContact O-N 2.92Å; E201-S205 PolarHBondContact O-OG 3.33Å
202	E	98.1	Very high	97	Very high	58 Å²	58	68.1 Å²	68.1	27%	0.271	37%	0.367	S	S	.	.	H	α-helix	trans	-60.7	-44.6	172.6	-170.1	176.3	160.5	0	0	111.5	D198 A199 S205 S206 A216 K219	D198-E202 WeakPolarHBondContact O-CB 3.3Å; D198-E202 PolarHBondContact O-N 2.78Å; A199-E202 PolarHBondContact O-N 3.24Å; E202-S205 WeakPolarHBondContact CA-OG 3.05Å; E202-S205 PolarHBondContact O-N 2.78Å; E202-S205 PolarHBondContact O-OG 3.2Å; E202-S206 PolarHBondContact O-N 3.07Å; E202-A216 HydrophobicContact CG-CB 4Å; E202-K219 WeakPolarHBondContact OE2-CD 3.35Å; E202-K219 WeakPolarHBondContact OE2-CE 3.3Å; E202-K219 IonicContact OE2-NZ 4Å; E202-K219 PolarHBondContact OE2-NZ 3.1Å
203	L	98.4	Very high	97	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-62.9	-40.9	175.9	-178.3	64.1	0	0	0	112.2	V178 I181 L182 A199 A200 E201 S205 S206 A216 L217	V178-L203 HydrophobicContact CG1-CD1 3.76Å; V178-L203 HydrophobicContact CG1-CD2 4.21Å; V178-L203 HydrophobicContact CG1-CG 3.71Å; V178-L203 HydrophobicContact CG2-CD1 4.25Å; I181-L203 HydrophobicContact CB-CD2 4.5Å; I181-L203 HydrophobicContact CG2-CD2 4Å; L182-L203 HydrophobicContact CD2-CD2 4.34Å; L182-L203 HydrophobicContact CD2-CG 4.43Å; A199-L203 PolarHBondContact O-N 2.9Å; A200-L203 PolarHBondContact O-N 3.06Å; E201-L203 VanDerWaalsContact C-N 3.35Å; E201-L203 PolarHBondContact O-N 3.3Å; L203-S205 VanDerWaalsContact C-N 3.33Å; L203-S205 PolarHBondContact O-N 3.13Å; L203-S206 PolarHBondContact O-N 2.77Å; L203-S206 PolarHBondContact O-OG 3.44Å; L203-A216 HydrophobicContact CB-CB 4.22Å; L203-A216 HydrophobicContact CD1-CB 4.13Å; L203-L217 HydrophobicContact CD1-CB 4.11Å
204	R	98.1	Very high	97	Very high	141 Å²	141	63.7 Å²	63.7	53%	0.532	34%	0.341	S	S	.	.	H	α-helix	trans	-61.3	-44	174.2	-177.3	-177.4	-68.5	166.1	-8.2	111.6	L182 A200 E201 S206 V207	L182-R204 HydrophobicContact CD1-CB 4.23Å; L182-R204 HydrophobicContact CD1-CG 4.41Å; L182-R204 HydrophobicContact CD2-CB 4.07Å; A200-R204 PolarHBondContact O-N 2.78Å; E201-R204 PolarHBondContact O-N 3.47Å; E201-R204 IonicContact OE2-CZ 2.81Å; E201-R204 IonicContact OE2-NE 3.86Å; E201-R204 IonicContact OE2-NH1 2.65Å; E201-R204 PolarHBondContact OE2-NH1 3.12Å; R204-S206 PolarHBondContact O-N 3.34Å; R204-V207 WeakPolarHBondContact O-CG2 3.4Å
205	S	97.6	Very high	97	Very high	49 Å²	49	70 Å²	70	34%	0.343	36%	0.364	S	S	.	.	H	α-helix	trans	-75.2	-9.9	-178.2	73.5	0	0	0	0	114.3	E201 E202 L203 R212	E201-S205 WeakPolarHBondContact O-CB 3.38Å; E201-S205 PolarHBondContact O-N 2.92Å; E201-S205 PolarHBondContact O-OG 3.33Å; E202-S205 WeakPolarHBondContact CA-OG 3.05Å; E202-S205 PolarHBondContact O-N 2.78Å; E202-S205 PolarHBondContact O-OG 3.2Å; L203-S205 VanDerWaalsContact C-N 3.33Å; L203-S205 PolarHBondContact O-N 3.13Å; S205-R212 VanDerWaalsContact O-CZ 3.27Å; S205-R212 PolarHBondContact O-NH1 3.2Å; S205-R212 VanDerWaalsContact O-NH1 3.13Å; S205-R212 PolarHBondContact OG-NH2 3.28Å
206	S	96.9	Very high	97	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.007	36%	0.363	C	S	.	.	H	α-helix	trans	-91.3	-13.2	179.9	70.4	0	0	0	0	114.2	E202 L203 R204 G208 D209 T213	E202-S206 PolarHBondContact O-N 3.07Å; L203-S206 PolarHBondContact O-N 2.77Å; L203-S206 PolarHBondContact O-OG 3.44Å; R204-S206 PolarHBondContact O-N 3.34Å; S206-G208 PolarHBondContact O-N 3Å; S206-D209 PolarHBondContact O-N 3.49Å; S206-T213 PolarHBondContact O-OG1 2.71Å; S206-T213 WeakPolarHBondContact OG-CA 3.31Å; S206-T213 PolarHBondContact OG-OG1 3.03Å
207	V	93.7	Very high	97.1	Very high	94 Å²	94	68.5 Å²	68.5	57%	0.57	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	129.6	-177.7	177.7	0	0	0	0	110.3	V178 R204	V178-V207 HydrophobicContact CG1-CG2 3.86Å; R204-V207 WeakPolarHBondContact O-CG2 3.4Å
208	G	91.2	Very high	97.2	Very high	86 Å²	86	61.5 Å²	61.5	89%	0.887	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.6	-8.2	-176.2	0	0	0	0	0	115	S206	S206-G208 PolarHBondContact O-N 3Å
209	D	95.8	Very high	97.2	Very high	75 Å²	75	59.2 Å²	59.2	40%	0.401	31%	0.308	S	S	.	.			trans	-121.4	107.7	171.3	177.1	-22.4	0	0	0	109	S206 V211 R212 T213	S206-D209 PolarHBondContact O-N 3.49Å; D209-V211 VanDerWaalsContact C-N 3.32Å; D209-V211 PolarHBondContact O-N 3.28Å; D209-V211 PolarHBondContact OD1-N 3.43Å; D209-R212 HydrophobicContact CB-CB 3.89Å; D209-R212 VanDerWaalsContact CG-CB 3.43Å; D209-R212 PolarHBondContact O-N 2.98Å; D209-R212 PolarHBondContact OD1-N 3.29Å; D209-R212 WeakPolarHBondContact OD2-CB 3.37Å; D209-T213 WeakPolarHBondContact O-CB 3.4Å; D209-T213 PolarHBondContact O-N 3.48Å; D209-T213 PolarHBondContact O-OG1 2.86Å
210	E	94.3	Very high	97.3	Very high	147 Å²	147	59.1 Å²	59.1	69%	0.687	31%	0.307	S	S	*	.	H	α-helix	trans	-58	-43.7	-176.5	-174.6	-176.5	170.3	0	0	112.1	T213 G214	E210-T213 PolarHBondContact O-N 2.86Å; E210-G214 PolarHBondContact O-N 3.02Å
211	V	96.4	Very high	97.3	Very high	94 Å²	94	58.8 Å²	58.8	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-71	-43.1	-175.7	167.4	0	0	0	0	110.6	D209 T213 R215	D209-V211 VanDerWaalsContact C-N 3.32Å; D209-V211 PolarHBondContact O-N 3.28Å; D209-V211 PolarHBondContact OD1-N 3.43Å; V211-T213 VanDerWaalsContact C-N 3.34Å; V211-R215 PolarHBondContact O-N 3.36Å
212	R	97.6	Very high	97.3	Very high	96 Å²	96	56.2 Å²	56.2	36%	0.362	30%	0.295	S	S	.	.	H	α-helix	trans	-67.3	-38	174.3	-169.5	-177.8	169	-176.2	-0.8	111.3	S205 D209 R215 A216	S205-R212 VanDerWaalsContact O-CZ 3.27Å; S205-R212 PolarHBondContact O-NH1 3.2Å; S205-R212 VanDerWaalsContact O-NH1 3.13Å; S205-R212 PolarHBondContact OG-NH2 3.28Å; D209-R212 HydrophobicContact CB-CB 3.89Å; D209-R212 VanDerWaalsContact CG-CB 3.43Å; D209-R212 PolarHBondContact O-N 2.98Å; D209-R212 PolarHBondContact OD1-N 3.29Å; D209-R212 WeakPolarHBondContact OD2-CB 3.37Å; R212-R215 PolarHBondContact O-N 2.84Å; R212-A216 WeakPolarHBondContact O-CB 3.34Å; R212-A216 PolarHBondContact O-N 2.77Å
213	T	98.1	Very high	97.3	Very high	10 Å²	10	59.1 Å²	59.1	6%	0.061	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-48.2	177.6	-67.9	0	0	0	0	111.8	V178 S206 D209 E210 V211 R215 A216 L217 P339	V178-T213 HydrophobicContact CG2-CG2 3.5Å; S206-T213 PolarHBondContact O-OG1 2.71Å; S206-T213 WeakPolarHBondContact OG-CA 3.31Å; S206-T213 PolarHBondContact OG-OG1 3.03Å; D209-T213 WeakPolarHBondContact O-CB 3.4Å; D209-T213 PolarHBondContact O-N 3.48Å; D209-T213 PolarHBondContact O-OG1 2.86Å; E210-T213 PolarHBondContact O-N 2.86Å; V211-T213 VanDerWaalsContact C-N 3.34Å; T213-R215 VanDerWaalsContact C-N 3.3Å; T213-R215 PolarHBondContact O-N 2.93Å; T213-A216 PolarHBondContact O-N 2.65Å; T213-L217 VanDerWaalsContact O-CB 3.24Å; T213-L217 WeakPolarHBondContact O-CB 3.31Å; T213-L217 PolarHBondContact O-N 3.17Å; T213-P339 HydrophobicContact CG2-CG 4.05Å
214	G	98.1	Very high	97.3	Very high	14 Å²	14	59.1 Å²	59.1	14%	0.144	31%	0.307	C	S	.	.	H	α-helix	trans	-57.6	-42.6	176.8	0	0	0	0	0	112.4	E210 K218 Y337	E210-G214 PolarHBondContact O-N 3.02Å; G214-K218 WeakPolarHBondContact O-CB 3.39Å; G214-K218 PolarHBondContact O-N 2.91Å; G214-Y337 WeakPolarHBondContact O-CB 3.33Å
215	R	98.4	Very high	97.3	Very high	143 Å²	143	52.9 Å²	52.9	54%	0.54	28%	0.284	S	S	.	.	H	α-helix	trans	-66	-44.4	176.2	-70.7	-165.6	-58.5	-93.8	-5.3	113.4	V211 R212 T213 K218 K219	V211-R215 PolarHBondContact O-N 3.36Å; R212-R215 PolarHBondContact O-N 2.84Å; T213-R215 VanDerWaalsContact C-N 3.3Å; T213-R215 PolarHBondContact O-N 2.93Å; R215-K218 WeakPolarHBondContact O-CB 3.11Å; R215-K218 PolarHBondContact O-N 3.49Å; R215-K219 PolarHBondContact O-N 3.13Å
216	A	98.6	Very high	97.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67	-39.2	179.9	0	0	0	0	0	111.5	E202 L203 R212 T213 K219 C220	E202-A216 HydrophobicContact CG-CB 4Å; L203-A216 HydrophobicContact CB-CB 4.22Å; L203-A216 HydrophobicContact CD1-CB 4.13Å; R212-A216 WeakPolarHBondContact O-CB 3.34Å; R212-A216 PolarHBondContact O-N 2.77Å; T213-A216 PolarHBondContact O-N 2.65Å; A216-K219 WeakPolarHBondContact O-CB 3.32Å; A216-K219 PolarHBondContact O-N 2.85Å; A216-C220 PolarHBondContact O-N 2.81Å; A216-C220 PolarHBondContact O-SG 2.96Å
217	L	98.7	Very high	97.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.4	-44.9	174.5	-178.6	58.8	0	0	0	111.4	F175 I181 L203 T213 K219 C220 F221 F279 Y337 P339	F175-L217 HydrophobicContact CB-CD2 3.87Å; F175-L217 HydrophobicContact CD1-CD1 4.25Å; F175-L217 HydrophobicContact CD1-CD2 3.92Å; F175-L217 HydrophobicContact CD1-CG 4.25Å; F175-L217 HydrophobicContact CD2-CD2 4.28Å; F175-L217 HydrophobicContact CG-CD2 3.76Å; I181-L217 HydrophobicContact CD1-CD1 3.54Å; L203-L217 HydrophobicContact CD1-CB 4.11Å; T213-L217 VanDerWaalsContact O-CB 3.24Å; T213-L217 WeakPolarHBondContact O-CB 3.31Å; T213-L217 PolarHBondContact O-N 3.17Å; L217-K219 VanDerWaalsContact C-N 3.33Å; L217-K219 PolarHBondContact O-N 3.26Å; L217-C220 PolarHBondContact O-N 3.4Å; L217-F221 PolarHBondContact O-N 2.82Å; L217-F279 HydrophobicContact CD1-CD1 3.85Å; L217-F279 HydrophobicContact CD1-CE1 4Å; L217-Y337 HydrophobicContact CB-CD1 4.45Å; L217-Y337 HydrophobicContact CD2-CD1 4.31Å; L217-Y337 HydrophobicContact CG-CD1 4Å; L217-P339 HydrophobicContact CD2-CB 4.41Å; L217-P339 HydrophobicContact CD2-CG 4.47Å
218	K	98.8	Very high	97.5	Very high	50 Å²	50	57.5 Å²	57.5	22%	0.217	31%	0.306	C	S	.	.	H	α-helix	trans	-53.2	-50.4	170.9	176.8	171.5	178.1	178.7	0	111.4	G214 R215 C220 F221 T222 C332 E333 Y337	G214-K218 WeakPolarHBondContact O-CB 3.39Å; G214-K218 PolarHBondContact O-N 2.91Å; R215-K218 WeakPolarHBondContact O-CB 3.11Å; R215-K218 PolarHBondContact O-N 3.49Å; K218-C220 VanDerWaalsContact C-N 3.32Å; K218-C220 PolarHBondContact O-N 2.96Å; K218-F221 PolarHBondContact O-N 2.89Å; K218-T222 WeakPolarHBondContact O-CB 3.32Å; K218-T222 PolarHBondContact O-N 2.83Å; K218-T222 PolarHBondContact O-OG1 2.91Å; K218-C332 VanDerWaalsContact CE-O 3.29Å; K218-C332 WeakPolarHBondContact CE-O 3.41Å; K218-E333 VanDerWaalsContact CE-OE1 3.22Å; K218-E333 WeakPolarHBondContact CE-OE1 3.44Å; K218-E333 IonicContact NZ-OE1 3.34Å; K218-E333 PolarHBondContact NZ-OE1 2.63Å; K218-E333 IonicContact NZ-OE2 3.58Å; K218-E333 PolarHBondContact NZ-OE2 3.05Å; K218-Y337 HydrophobicContact CB-CD1 3.97Å; K218-Y337 HydrophobicContact CB-CD2 3.71Å; K218-Y337 HydrophobicContact CB-CE1 3.84Å; K218-Y337 HydrophobicContact CB-CE2 3.56Å; K218-Y337 HydrophobicContact CB-CG 3.89Å; K218-Y337 HydrophobicContact CD-CD2 4.15Å; K218-Y337 HydrophobicContact CD-CE2 3.64Å; K218-Y337 HydrophobicContact CG-CD2 4.12Å; K218-Y337 HydrophobicContact CG-CE1 4.28Å; K218-Y337 HydrophobicContact CG-CE2 3.51Å
219	K	98.7	Very high	97.7	Very high	82 Å²	82	60.6 Å²	60.6	36%	0.357	29%	0.294	S	S	.	.	H	α-helix	trans	-57.1	-44.1	178.2	-175.6	179	175.9	179.7	0	112.2	A199 E202 R215 A216 L217 K223	A199-K219 HydrophobicContact CB-CD 4.45Å; A199-K219 HydrophobicContact CB-CG 4.27Å; E202-K219 WeakPolarHBondContact OE2-CD 3.35Å; E202-K219 WeakPolarHBondContact OE2-CE 3.3Å; E202-K219 IonicContact OE2-NZ 4Å; E202-K219 PolarHBondContact OE2-NZ 3.1Å; R215-K219 PolarHBondContact O-N 3.13Å; A216-K219 WeakPolarHBondContact O-CB 3.32Å; A216-K219 PolarHBondContact O-N 2.85Å; L217-K219 VanDerWaalsContact C-N 3.33Å; L217-K219 PolarHBondContact O-N 3.26Å; K219-K223 WeakPolarHBondContact O-CB 3.28Å; K219-K223 VanDerWaalsContact O-CG 3.3Å; K219-K223 WeakPolarHBondContact O-CG 3.19Å; K219-K223 PolarHBondContact O-N 3.25Å
220	C	98.8	Very high	97.8	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-48.5	177.2	-65.7	0	0	0	0	112	V195 A199 A216 L217 K218 K223 M224 F279	V195-C220 HydrophobicContact CG1-CB 3.78Å; A199-C220 PolarHBondContact O-SG 2.83Å; A199-C220 VanDerWaalsContact O-SG 3.34Å; A216-C220 PolarHBondContact O-N 2.81Å; A216-C220 PolarHBondContact O-SG 2.96Å; L217-C220 PolarHBondContact O-N 3.4Å; K218-C220 VanDerWaalsContact C-N 3.32Å; K218-C220 PolarHBondContact O-N 2.96Å; C220-K223 PolarHBondContact O-N 2.84Å; C220-M224 PolarHBondContact O-N 2.93Å; C220-F279 HydrophobicContact CB-CE1 3.82Å; C220-F279 HydrophobicContact CB-CZ 3.86Å
221	F	98.8	Very high	98	Very high	1 Å²	1	59 Å²	59	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-44.9	-179.5	-170.5	-98.8	0	0	0	111.5	F175 L217 K218 K223 M224 M225 F279 A319 L331 L335 Y337	F175-F221 HydrophobicContact CE1-CB 4.5Å; F175-F221 AromaticContact CE1-CD2 3.8Å; F175-F221 HydrophobicContact CE1-CD2 3.8Å; F175-F221 HydrophobicContact CE1-CE2 4.24Å; F175-F221 HydrophobicContact CE1-CG 4.17Å; F175-F221 HydrophobicContact CZ-CD2 4.28Å; F175-F221 HydrophobicContact CZ-CG 4.33Å; L217-F221 PolarHBondContact O-N 2.82Å; K218-F221 PolarHBondContact O-N 2.89Å; F221-K223 PolarHBondContact O-N 3.49Å; F221-M224 HydrophobicContact CD2-CE 3.5Å; F221-M224 VanDerWaalsContact CD2-CE 3.5Å; F221-M224 HydrophobicContact CE2-CE 3.53Å; F221-M224 HydrophobicContact CG-CE 4.24Å; F221-M224 HydrophobicContact CZ-CE 4.29Å; F221-M224 PolarHBondContact O-N 3.4Å; F221-M225 HydrophobicContact CD1-CG 3.85Å; F221-M225 HydrophobicContact CE1-CG 3.5Å; F221-M225 VanDerWaalsContact CE1-CG 3.5Å; F221-M225 HydrophobicContact CE1-SD 4.32Å; F221-M225 HydrophobicContact CE2-CG 4.43Å; F221-M225 HydrophobicContact CG-CG 4.44Å; F221-M225 HydrophobicContact CZ-CG 3.82Å; F221-M225 HydrophobicContact CZ-SD 4.07Å; F221-M225 WeakPolarHBondContact O-CG 3.25Å; F221-M225 PolarHBondContact O-N 2.62Å; F221-F279 HydrophobicContact CD2-CB 4.24Å; F221-F279 HydrophobicContact CD2-CD1 4.48Å; F221-F279 AromaticContact CD2-CD2 3.8Å; F221-F279 HydrophobicContact CD2-CD2 3.8Å; F221-F279 HydrophobicContact CD2-CE2 4.19Å; F221-F279 AromaticContact CD2-CG 3.94Å; F221-F279 HydrophobicContact CD2-CG 3.94Å; F221-F279 HydrophobicContact CE2-CD2 4.38Å; F221-A319 HydrophobicContact CZ-CB 4.5Å; F221-L331 HydrophobicContact CE1-CD2 3.99Å; F221-L331 HydrophobicContact CE1-CG 4.3Å; F221-L331 HydrophobicContact CZ-CD2 4.43Å; F221-L335 HydrophobicContact CD1-CD1 4.11Å; F221-L335 HydrophobicContact CE1-CD1 3.63Å; F221-L335 HydrophobicContact CZ-CD1 4.11Å; F221-Y337 HydrophobicContact CB-CE1 3.99Å; F221-Y337 HydrophobicContact CD1-CE1 4.32Å; F221-Y337 HydrophobicContact CG-CE1 4.33Å
222	T	98.6	Very high	98.1	Very high	40 Å²	40	55.6 Å²	55.6	25%	0.245	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-41.7	175.3	-58.6	0	0	0	0	112.1	K218 M224 M225 S226 C332	K218-T222 WeakPolarHBondContact O-CB 3.32Å; K218-T222 PolarHBondContact O-N 2.83Å; K218-T222 PolarHBondContact O-OG1 2.91Å; T222-M224 VanDerWaalsContact C-N 3.34Å; T222-M224 PolarHBondContact O-N 3.42Å; T222-M225 PolarHBondContact O-N 3.01Å; T222-S226 VanDerWaalsContact O-CB 3.28Å; T222-S226 WeakPolarHBondContact O-CB 3.21Å; T222-S226 PolarHBondContact O-N 2.62Å; T222-S226 PolarHBondContact O-OG 2.79Å; T222-C332 HydrophobicContact CG2-CB 4.37Å; T222-C332 WeakPolarHBondContact OG1-CB 3.35Å
223	K	98.3	Very high	98.1	Very high	119 Å²	119	52.6 Å²	52.6	52%	0.517	26%	0.256	S	S	.	.	H	α-helix	trans	-58.1	-45.7	177.4	-84.2	-75.3	-178.9	178.1	0	112.3	K219 C220 F221 C227	K219-K223 WeakPolarHBondContact O-CB 3.28Å; K219-K223 VanDerWaalsContact O-CG 3.3Å; K219-K223 WeakPolarHBondContact O-CG 3.19Å; K219-K223 PolarHBondContact O-N 3.25Å; C220-K223 PolarHBondContact O-N 2.84Å; F221-K223 PolarHBondContact O-N 3.49Å; K223-C227 PolarHBondContact O-N 3.26Å
224	M	98.4	Very high	98.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-55.3	172.7	173.1	-165.6	52.2	0	0	110.6	F191 L194 C220 F221 T222 S226 C227 I272 F275 F279	F191-M224 HydrophobicContact CE2-SD 4.47Å; L194-M224 HydrophobicContact CD1-CG 4.36Å; C220-M224 PolarHBondContact O-N 2.93Å; F221-M224 HydrophobicContact CD2-CE 3.5Å; F221-M224 VanDerWaalsContact CD2-CE 3.5Å; F221-M224 HydrophobicContact CE2-CE 3.53Å; F221-M224 HydrophobicContact CG-CE 4.24Å; F221-M224 HydrophobicContact CZ-CE 4.29Å; F221-M224 PolarHBondContact O-N 3.4Å; T222-M224 VanDerWaalsContact C-N 3.34Å; T222-M224 PolarHBondContact O-N 3.42Å; M224-S226 PolarHBondContact O-N 3.3Å; M224-C227 WeakPolarHBondContact O-CB 3.39Å; M224-C227 PolarHBondContact O-N 2.95Å; M224-I272 HydrophobicContact CG-CD1 4.23Å; M224-I272 HydrophobicContact CG-CG1 4.26Å; M224-I272 VanDerWaalsContact O-CD1 3.32Å; M224-I272 WeakPolarHBondContact O-CD1 3.46Å; M224-F275 HydrophobicContact SD-CB 3.62Å; M224-F279 HydrophobicContact CB-CE2 4.31Å; M224-F279 HydrophobicContact CE-CD2 3.46Å; M224-F279 VanDerWaalsContact CE-CD2 3.46Å; M224-F279 HydrophobicContact CE-CE2 3.41Å; M224-F279 VanDerWaalsContact CE-CE2 3.41Å; M224-F279 HydrophobicContact SD-CD2 3.98Å; M224-F279 HydrophobicContact SD-CE2 3.74Å
225	M	98	Very high	98.2	Very high	10 Å²	10	57.5 Å²	57.5	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-24.9	-173.3	-68.5	-53.4	-60.2	0	0	114.3	F221 T222 I272 A319 I326 V328 L331	F221-M225 HydrophobicContact CD1-CG 3.85Å; F221-M225 HydrophobicContact CE1-CG 3.5Å; F221-M225 VanDerWaalsContact CE1-CG 3.5Å; F221-M225 HydrophobicContact CE1-SD 4.32Å; F221-M225 HydrophobicContact CE2-CG 4.43Å; F221-M225 HydrophobicContact CG-CG 4.44Å; F221-M225 HydrophobicContact CZ-CG 3.82Å; F221-M225 HydrophobicContact CZ-SD 4.07Å; F221-M225 WeakPolarHBondContact O-CG 3.25Å; F221-M225 PolarHBondContact O-N 2.62Å; T222-M225 PolarHBondContact O-N 3.01Å; M225-I272 HydrophobicContact CE-CD1 4.42Å; M225-I272 HydrophobicContact CE-CG2 4.11Å; M225-I272 HydrophobicContact SD-CD1 3.99Å; M225-I272 HydrophobicContact SD-CG1 4.29Å; M225-I272 HydrophobicContact SD-CG2 4.41Å; M225-A319 VanDerWaalsContact CE-O 3.32Å; M225-A319 WeakPolarHBondContact CE-O 3.12Å; M225-I326 HydrophobicContact CE-CG2 4.22Å; M225-V328 HydrophobicContact CB-CG1 3.86Å; M225-L331 HydrophobicContact CE-CD2 3.87Å; M225-L331 HydrophobicContact CG-CD2 4.44Å
226	S	97.3	Very high	98.2	Very high	81 Å²	81	50.7 Å²	50.7	57%	0.566	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	2.9	175.2	-61.5	0	0	0	0	113.8	T222 M224	T222-S226 VanDerWaalsContact O-CB 3.28Å; T222-S226 WeakPolarHBondContact O-CB 3.21Å; T222-S226 PolarHBondContact O-N 2.62Å; T222-S226 PolarHBondContact O-OG 2.79Å; M224-S226 PolarHBondContact O-N 3.3Å
227	C	97.1	Very high	98.2	Very high	29 Å²	29	54.1 Å²	54.1	20%	0.196	27%	0.27	C	S	.	.	S	Bend	trans	-64.3	142.3	177.9	-167.5	0	0	0	0	110.8	L194 K223 M224 K229 V231 F232	L194-C227 HydrophobicContact CD2-CB 4.46Å; K223-C227 PolarHBondContact O-N 3.26Å; M224-C227 WeakPolarHBondContact O-CB 3.39Å; M224-C227 PolarHBondContact O-N 2.95Å; C227-K229 PolarHBondContact O-N 3.29Å; C227-V231 VanDerWaalsContact SG-CG1 3.55Å; C227-F232 HydrophobicContact CB-CB 4.43Å; C227-F232 HydrophobicContact CB-CD1 4.33Å
228	E	96.9	Very high	98.2	Very high	131 Å²	131	58.7 Å²	58.7	61%	0.612	29%	0.291	S	S	*	.			trans	-61.2	137.5	176.9	-171.4	-170.8	154.7	0	0	110.2	K230 V231 F232	E228-K230 PolarHBondContact O-N 2.99Å; E228-K230 VanDerWaalsContact O-N 3.14Å; E228-V231 HydrophobicContact CB-CB 4.5Å; E228-V231 HydrophobicContact CB-CG2 4.11Å; E228-V231 WeakPolarHBondContact O-CB 3.49Å; E228-V231 PolarHBondContact O-N 2.97Å; E228-F232 WeakPolarHBondContact O-CD1 3.09Å; E228-F232 PolarHBondContact O-N 2.9Å; E228-F232 VanDerWaalsContact O-N 3.13Å
229	K	96.5	Very high	98.2	Very high	150 Å²	150	56.3 Å²	56.3	65%	0.652	28%	0.281	S	S	*	.	H	α-helix	trans	-49.1	-44.6	-178.9	-175	172.6	-177.4	176.7	0	113.9	C227 V231 F232 V233	C227-K229 PolarHBondContact O-N 3.29Å; K229-V231 VanDerWaalsContact C-N 3.31Å; K229-V231 PolarHBondContact O-N 3.31Å; K229-F232 HydrophobicContact CB-CE1 3.99Å; K229-F232 HydrophobicContact CB-CZ 4.07Å; K229-F232 HydrophobicContact CG-CE1 4.21Å; K229-F232 HydrophobicContact CG-CE2 4.33Å; K229-F232 HydrophobicContact CG-CZ 3.76Å; K229-V233 HydrophobicContact CG-CG2 4.17Å; K229-V233 VanDerWaalsContact O-CB 3.31Å; K229-V233 WeakPolarHBondContact O-CB 3.31Å; K229-V233 WeakPolarHBondContact O-CG2 3.37Å; K229-V233 PolarHBondContact O-N 3.25Å; K229-V233 VanDerWaalsContact O-N 3.1Å
230	K	97.8	Very high	98.2	Very high	128 Å²	128	53.4 Å²	53.4	56%	0.557	27%	0.27	S	S	*	.	H	α-helix	trans	-59.9	-45.4	179.1	-172.7	-173.9	177.6	-59.2	0	111.3	E228 V233 D234	E228-K230 PolarHBondContact O-N 2.99Å; E228-K230 VanDerWaalsContact O-N 3.14Å; K230-V233 PolarHBondContact O-N 3.01Å; K230-D234 IonicContact NZ-OD2 3.46Å; K230-D234 PolarHBondContact NZ-OD2 3.2Å; K230-D234 WeakPolarHBondContact O-CB 3.36Å; K230-D234 PolarHBondContact O-N 2.75Å
231	V	98.1	Very high	98.2	Very high	61 Å²	61	58 Å²	58	37%	0.37	29%	0.29	S	S	.	.	H	α-helix	trans	-64.4	-53	-176.2	177.6	0	0	0	0	110.8	L194 C227 E228 K229 V233 D234 E235	L194-V231 HydrophobicContact CD2-CG1 4.31Å; C227-V231 VanDerWaalsContact SG-CG1 3.55Å; E228-V231 HydrophobicContact CB-CB 4.5Å; E228-V231 HydrophobicContact CB-CG2 4.11Å; E228-V231 WeakPolarHBondContact O-CB 3.49Å; E228-V231 PolarHBondContact O-N 2.97Å; K229-V231 VanDerWaalsContact C-N 3.31Å; K229-V231 PolarHBondContact O-N 3.31Å; V231-V233 VanDerWaalsContact C-N 3.28Å; V231-V233 PolarHBondContact O-N 2.85Å; V231-D234 PolarHBondContact O-N 3.29Å; V231-E235 WeakPolarHBondContact O-CG 3.17Å; V231-E235 PolarHBondContact O-N 3.36Å
232	F	98.1	Very high	98.2	Very high	22 Å²	22	60.3 Å²	60.3	10%	0.096	30%	0.299	C	S	.	.	H	α-helix	trans	-68.4	-28.3	-178.3	73.2	-115.2	0	0	0	113.2	L194 C227 E228 K229 L236 G270 I272	L194-F232 HydrophobicContact CD1-CB 3.88Å; L194-F232 HydrophobicContact CD2-CB 3.94Å; C227-F232 HydrophobicContact CB-CB 4.43Å; C227-F232 HydrophobicContact CB-CD1 4.33Å; E228-F232 WeakPolarHBondContact O-CD1 3.09Å; E228-F232 PolarHBondContact O-N 2.9Å; E228-F232 VanDerWaalsContact O-N 3.13Å; K229-F232 HydrophobicContact CB-CE1 3.99Å; K229-F232 HydrophobicContact CB-CZ 4.07Å; K229-F232 HydrophobicContact CG-CE1 4.21Å; K229-F232 HydrophobicContact CG-CE2 4.33Å; K229-F232 HydrophobicContact CG-CZ 3.76Å; F232-L236 VanDerWaalsContact O-CB 3.26Å; F232-L236 WeakPolarHBondContact O-CB 3.1Å; F232-L236 PolarHBondContact O-N 3.34Å; F232-G270 WeakPolarHBondContact CE2-O 2.91Å; F232-I272 HydrophobicContact CD1-CD1 3.96Å; F232-I272 HydrophobicContact CD1-CG1 4.47Å; F232-I272 HydrophobicContact CD2-CB 4.17Å; F232-I272 HydrophobicContact CE1-CB 4.3Å; F232-I272 HydrophobicContact CE1-CD1 4.04Å; F232-I272 HydrophobicContact CE2-CB 3.95Å; F232-I272 HydrophobicContact CG-CD1 4.37Å; F232-I272 HydrophobicContact CG-CG1 4.43Å; F232-I272 HydrophobicContact CZ-CB 4.02Å
233	V	98.6	Very high	98.1	Very high	33 Å²	33	58.5 Å²	58.5	20%	0.2	29%	0.287	C	S	.	.	H	α-helix	trans	-68.6	-42.5	174.4	169.3	0	0	0	0	110.8	K229 K230 V231 L236 N237 G270	K229-V233 HydrophobicContact CG-CG2 4.17Å; K229-V233 VanDerWaalsContact O-CB 3.31Å; K229-V233 WeakPolarHBondContact O-CB 3.31Å; K229-V233 WeakPolarHBondContact O-CG2 3.37Å; K229-V233 PolarHBondContact O-N 3.25Å; K229-V233 VanDerWaalsContact O-N 3.1Å; K230-V233 PolarHBondContact O-N 3.01Å; V231-V233 VanDerWaalsContact C-N 3.28Å; V231-V233 PolarHBondContact O-N 2.85Å; V233-L236 PolarHBondContact O-N 2.94Å; V233-N237 VanDerWaalsContact O-CG 3.23Å; V233-N237 PolarHBondContact O-N 3.43Å; V233-N237 PolarHBondContact O-ND2 3.33Å; V233-N237 VanDerWaalsContact O-ND2 3.11Å; V233-G270 WeakPolarHBondContact CG2-O 3.28Å
234	D	98.6	Very high	98.1	Very high	71 Å²	71	56.1 Å²	56.1	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-62.1	-46.5	177	-69.3	-18.1	0	0	0	110.8	K230 V231 L236 N237 E238	K230-D234 IonicContact NZ-OD2 3.46Å; K230-D234 PolarHBondContact NZ-OD2 3.2Å; K230-D234 WeakPolarHBondContact O-CB 3.36Å; K230-D234 PolarHBondContact O-N 2.75Å; V231-D234 PolarHBondContact O-N 3.29Å; D234-L236 PolarHBondContact O-N 2.9Å; D234-N237 PolarHBondContact O-N 2.81Å; D234-E238 PolarHBondContact O-N 2.91Å; D234-E238 VanDerWaalsContact O-N 3.13Å
235	E	98.7	Very high	98.1	Very high	57 Å²	57	61.9 Å²	61.9	27%	0.266	31%	0.31	S	S	.	.	H	α-helix	trans	-62.2	-40.8	175.4	-67.9	-60.4	153.6	0	0	112.3	E190 A193 L194 V231 N237 E238 L239 F275	E190-E235 WeakPolarHBondContact CA-OE2 3.24Å; E190-E235 HydrophobicContact CB-CB 4.22Å; E190-E235 WeakPolarHBondContact CB-OE2 3.11Å; A193-E235 HydrophobicContact CB-CG 4.47Å; L194-E235 HydrophobicContact CD2-CB 4.18Å; L194-E235 HydrophobicContact CD2-CG 3.88Å; V231-E235 WeakPolarHBondContact O-CG 3.17Å; V231-E235 PolarHBondContact O-N 3.36Å; E235-N237 VanDerWaalsContact C-N 3.34Å; E235-N237 PolarHBondContact O-N 3.39Å; E235-E238 PolarHBondContact O-N 3.5Å; E235-L239 WeakPolarHBondContact O-CB 3.46Å; E235-L239 PolarHBondContact O-N 3.03Å; E235-F275 HydrophobicContact CB-CZ 4.04Å
236	L	98.8	Very high	98.1	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64	-40.2	177.3	-174.9	55.1	0	0	0	111.8	F232 V233 D234 L239 V240 L261 D271 C274 F275	F232-L236 VanDerWaalsContact O-CB 3.26Å; F232-L236 WeakPolarHBondContact O-CB 3.1Å; F232-L236 PolarHBondContact O-N 3.34Å; V233-L236 PolarHBondContact O-N 2.94Å; D234-L236 PolarHBondContact O-N 2.9Å; L236-L239 HydrophobicContact CD1-CD2 4.45Å; L236-L239 PolarHBondContact O-N 2.97Å; L236-V240 HydrophobicContact CD1-CG2 4.22Å; L236-V240 HydrophobicContact CG-CG2 4.45Å; L236-V240 WeakPolarHBondContact O-CB 3.45Å; L236-V240 VanDerWaalsContact O-CG2 3.28Å; L236-V240 WeakPolarHBondContact O-CG2 3.38Å; L236-V240 PolarHBondContact O-N 3.43Å; L236-L261 HydrophobicContact CD1-CD1 3.95Å; L236-D271 WeakPolarHBondContact CD2-O 3.22Å; L236-C274 HydrophobicContact CD1-CB 3.65Å; L236-C274 HydrophobicContact CD2-CB 3.9Å; L236-C274 HydrophobicContact CG-CB 4.47Å; L236-F275 HydrophobicContact CB-CE2 3.7Å; L236-F275 HydrophobicContact CB-CZ 4.14Å; L236-F275 HydrophobicContact CD1-CD2 4.47Å; L236-F275 HydrophobicContact CD1-CE2 4.05Å; L236-F275 HydrophobicContact CD1-CZ 4.31Å; L236-F275 HydrophobicContact CG-CE2 4.37Å
237	N	98.6	Very high	98	Very high	71 Å²	71	61.4 Å²	61.4	38%	0.38	31%	0.309	S	S	.	.	H	α-helix	trans	-65.5	-42.4	179	-72.7	-33.4	0	0	0	111.7	V233 D234 E235 K241	V233-N237 VanDerWaalsContact O-CG 3.23Å; V233-N237 PolarHBondContact O-N 3.43Å; V233-N237 PolarHBondContact O-ND2 3.33Å; V233-N237 VanDerWaalsContact O-ND2 3.11Å; D234-N237 PolarHBondContact O-N 2.81Å; E235-N237 VanDerWaalsContact C-N 3.34Å; E235-N237 PolarHBondContact O-N 3.39Å; N237-K241 VanDerWaalsContact O-CB 3.25Å; N237-K241 WeakPolarHBondContact O-CB 3.46Å; N237-K241 PolarHBondContact O-N 3.03Å
238	E	98.7	Very high	98	Very high	97 Å²	97	64.3 Å²	64.3	45%	0.453	34%	0.335	S	S	.	.	H	α-helix	trans	-66.2	-39.7	175.2	-72.6	-57.9	134.2	0	0	111.6	E190 D234 E235 K241 R242	E190-E238 HydrophobicContact CG-CB 4.46Å; D234-E238 PolarHBondContact O-N 2.91Å; D234-E238 VanDerWaalsContact O-N 3.13Å; E235-E238 PolarHBondContact O-N 3.5Å; E238-K241 PolarHBondContact O-N 3.47Å; E238-K241 IonicContact OE1-NZ 3.13Å; E238-K241 PolarHBondContact OE1-NZ 3.12Å; E238-K241 VanDerWaalsContact OE1-NZ 3.13Å; E238-K241 IonicContact OE2-NZ 2.86Å; E238-K241 PolarHBondContact OE2-NZ 2.87Å; E238-R242 WeakPolarHBondContact O-CB 3.43Å; E238-R242 PolarHBondContact O-N 3.44Å
239	L	98.7	Very high	98	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.9	-50.3	174.4	174	55.6	0	0	0	112	V188 E190 E235 L236 K241 R242 V243 L261 F275 Y278	V188-L239 HydrophobicContact CG1-CD1 3.64Å; V188-L239 HydrophobicContact CG1-CD2 3.99Å; V188-L239 HydrophobicContact CG1-CG 4.45Å; E190-L239 HydrophobicContact CB-CB 3.92Å; E190-L239 HydrophobicContact CG-CB 3.81Å; E235-L239 WeakPolarHBondContact O-CB 3.46Å; E235-L239 PolarHBondContact O-N 3.03Å; L236-L239 HydrophobicContact CD1-CD2 4.45Å; L236-L239 PolarHBondContact O-N 2.97Å; L239-K241 VanDerWaalsContact C-N 3.32Å; L239-K241 PolarHBondContact O-N 2.82Å; L239-R242 VanDerWaalsContact CD1-NH2 3.28Å; L239-R242 PolarHBondContact O-N 2.92Å; L239-V243 HydrophobicContact CD1-CG2 3.87Å; L239-V243 WeakPolarHBondContact O-CG2 3.2Å; L239-V243 PolarHBondContact O-N 2.62Å; L239-L261 HydrophobicContact CD1-CD2 4.01Å; L239-L261 HydrophobicContact CD2-CD1 3.92Å; L239-L261 HydrophobicContact CD2-CD2 3.88Å; L239-L261 HydrophobicContact CG-CD1 4.44Å; L239-L261 HydrophobicContact CG-CD2 3.57Å; L239-F275 HydrophobicContact CD2-CD1 4.22Å; L239-F275 HydrophobicContact CD2-CE1 3.58Å; L239-F275 HydrophobicContact CD2-CZ 4.1Å; L239-Y278 HydrophobicContact CD2-CE2 4.02Å
240	V	98.6	Very high	97.9	Very high	20 Å²	20	57.8 Å²	57.8	12%	0.121	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-44	178.2	165.8	0	0	0	0	110.9	L236 T244 L262 H265	L236-V240 HydrophobicContact CD1-CG2 4.22Å; L236-V240 HydrophobicContact CG-CG2 4.45Å; L236-V240 WeakPolarHBondContact O-CB 3.45Å; L236-V240 VanDerWaalsContact O-CG2 3.28Å; L236-V240 WeakPolarHBondContact O-CG2 3.38Å; L236-V240 PolarHBondContact O-N 3.43Å; V240-T244 VanDerWaalsContact O-CB 3.24Å; V240-T244 WeakPolarHBondContact O-CB 3.41Å; V240-T244 PolarHBondContact O-N 3.14Å; V240-T244 PolarHBondContact O-OG1 3.02Å; V240-L262 HydrophobicContact CB-CD2 4.47Å; V240-L262 HydrophobicContact CG1-CD2 3.88Å; V240-H265 HydrophobicContact CG2-CB 3.98Å
241	K	98.5	Very high	97.8	Very high	96 Å²	96	58 Å²	58	42%	0.417	34%	0.339	S	S	.	.	H	α-helix	trans	-61.6	-47	177	174.5	-177	162.6	-154.3	0	111.5	N237 E238 L239 T244 Q245	N237-K241 VanDerWaalsContact O-CB 3.25Å; N237-K241 WeakPolarHBondContact O-CB 3.46Å; N237-K241 PolarHBondContact O-N 3.03Å; E238-K241 PolarHBondContact O-N 3.47Å; E238-K241 IonicContact OE1-NZ 3.13Å; E238-K241 PolarHBondContact OE1-NZ 3.12Å; E238-K241 VanDerWaalsContact OE1-NZ 3.13Å; E238-K241 IonicContact OE2-NZ 2.86Å; E238-K241 PolarHBondContact OE2-NZ 2.87Å; L239-K241 VanDerWaalsContact C-N 3.32Å; L239-K241 PolarHBondContact O-N 2.82Å; K241-T244 PolarHBondContact O-N 2.94Å; K241-Q245 WeakPolarHBondContact O-CB 3.24Å; K241-Q245 VanDerWaalsContact O-CG 3.25Å; K241-Q245 WeakPolarHBondContact O-CG 3.44Å; K241-Q245 PolarHBondContact O-N 2.9Å
242	R	98.4	Very high	97.6	Very high	51 Å²	51	60.9 Å²	60.9	19%	0.192	35%	0.353	C	S	.	.	H	α-helix	trans	-60.6	-51.9	178.3	-179	173.5	61.9	79.9	-5.3	111.4	E190 E238 L239 T244 Q245 E246	E190-R242 IonicContact OE1-CZ 3.17Å; E190-R242 IonicContact OE1-NE 3.63Å; E190-R242 PolarHBondContact OE1-NE 3.45Å; E190-R242 IonicContact OE1-NH2 3.67Å; E190-R242 IonicContact OE2-CZ 3.45Å; E190-R242 IonicContact OE2-NE 2.78Å; E190-R242 PolarHBondContact OE2-NE 3.11Å; E190-R242 IonicContact OE2-NH2 3.56Å; E190-R242 PolarHBondContact OE2-NH2 2.89Å; E238-R242 WeakPolarHBondContact O-CB 3.43Å; E238-R242 PolarHBondContact O-N 3.44Å; L239-R242 VanDerWaalsContact CD1-NH2 3.28Å; L239-R242 PolarHBondContact O-N 2.92Å; R242-T244 VanDerWaalsContact C-N 3.33Å; R242-T244 PolarHBondContact O-N 3.5Å; R242-Q245 PolarHBondContact O-N 3.21Å; R242-E246 HydrophobicContact CG-CG 4.44Å; R242-E246 WeakPolarHBondContact CG-OE1 3.35Å; R242-E246 IonicContact NH1-OE1 3.48Å; R242-E246 PolarHBondContact NH1-OE1 2.8Å; R242-E246 IonicContact NH1-OE2 3Å; R242-E246 PolarHBondContact NH1-OE2 2.71Å; R242-E246 WeakPolarHBondContact O-CG 3.13Å; R242-E246 PolarHBondContact O-N 2.81Å
243	V	98.2	Very high	97.4	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.006	35%	0.353	C	S	.	.	H	α-helix	trans	-62	-40.9	179.9	171.7	0	0	0	0	111.4	L239 Q245 E246 G247 T253 G258 L261 L262	L239-V243 HydrophobicContact CD1-CG2 3.87Å; L239-V243 WeakPolarHBondContact O-CG2 3.2Å; L239-V243 PolarHBondContact O-N 2.62Å; V243-Q245 PolarHBondContact O-N 2.93Å; V243-E246 PolarHBondContact O-N 3.01Å; V243-G247 PolarHBondContact O-N 3.43Å; V243-T253 HydrophobicContact CG1-CG2 4.17Å; V243-G258 VanDerWaalsContact CG1-CA 3.48Å; V243-L261 HydrophobicContact CB-CD2 4.31Å; V243-L261 HydrophobicContact CG2-CD2 3.9Å; V243-L262 HydrophobicContact CG1-CD1 4.02Å; V243-L262 HydrophobicContact CG1-CD2 4.38Å; V243-L262 HydrophobicContact CG1-CG 4.06Å
244	T	98.1	Very high	97.2	Very high	69 Å²	69	62.5 Å²	62.5	42%	0.423	37%	0.367	S	S	.	.	H	α-helix	trans	-62.3	-43.2	176.3	-58.2	0	0	0	0	111.5	V240 K241 R242 A248 L262	V240-T244 VanDerWaalsContact O-CB 3.24Å; V240-T244 WeakPolarHBondContact O-CB 3.41Å; V240-T244 PolarHBondContact O-N 3.14Å; V240-T244 PolarHBondContact O-OG1 3.02Å; K241-T244 PolarHBondContact O-N 2.94Å; R242-T244 VanDerWaalsContact C-N 3.33Å; R242-T244 PolarHBondContact O-N 3.5Å; T244-A248 WeakPolarHBondContact O-CB 3.46Å; T244-A248 PolarHBondContact O-N 3.41Å; T244-L262 WeakPolarHBondContact OG1-CD2 3.16Å
245	Q	98.1	Very high	96.8	Very high	121 Å²	121	62.5 Å²	62.5	57%	0.565	37%	0.373	S	S	*	.	H	α-helix	trans	-68.3	-39.6	178.1	-73	174.1	-7.3	0	0	112.4	K241 R242 V243 A249	K241-Q245 WeakPolarHBondContact O-CB 3.24Å; K241-Q245 VanDerWaalsContact O-CG 3.25Å; K241-Q245 WeakPolarHBondContact O-CG 3.44Å; K241-Q245 PolarHBondContact O-N 2.9Å; R242-Q245 PolarHBondContact O-N 3.21Å; V243-Q245 PolarHBondContact O-N 2.93Å; Q245-A249 WeakPolarHBondContact O-CB 3.14Å; Q245-A249 PolarHBondContact O-N 3Å
246	E	96.9	Very high	96.6	Very high	43 Å²	43	59.8 Å²	59.8	20%	0.201	36%	0.36	C	S	.	.	H	α-helix	trans	-61.1	-48.2	174.5	-73.8	170.2	176.4	0	0	111.1	R242 V243 A249 G250 K251 T253	R242-E246 HydrophobicContact CG-CG 4.44Å; R242-E246 WeakPolarHBondContact CG-OE1 3.35Å; R242-E246 IonicContact NH1-OE1 3.48Å; R242-E246 PolarHBondContact NH1-OE1 2.8Å; R242-E246 IonicContact NH1-OE2 3Å; R242-E246 PolarHBondContact NH1-OE2 2.71Å; R242-E246 WeakPolarHBondContact O-CG 3.13Å; R242-E246 PolarHBondContact O-N 2.81Å; V243-E246 PolarHBondContact O-N 3.01Å; E246-A249 CarbonylContact O-C 3.58Å; E246-A249 PolarHBondContact O-N 3.12Å; E246-A249 VanDerWaalsContact O-N 3.16Å; E246-G250 PolarHBondContact O-N 2.92Å; E246-K251 HydrophobicContact CB-CB 4.21Å; E246-K251 HydrophobicContact CB-CD 4.22Å; E246-K251 HydrophobicContact CG-CD 4.09Å; E246-K251 WeakPolarHBondContact O-CB 3.35Å; E246-K251 PolarHBondContact O-N 2.87Å; E246-T253 HydrophobicContact CB-CG2 3.88Å
247	G	96.2	Very high	96.5	Very high	38 Å²	38	61.5 Å²	61.5	39%	0.392	37%	0.369	S	S	.	.	H	α-helix	trans	-62.9	-43.4	176.8	0	0	0	0	0	112.9	V243 A249 G250	V243-G247 PolarHBondContact O-N 3.43Å; G247-A249 PolarHBondContact O-N 2.86Å; G247-G250 PolarHBondContact O-N 3.36Å
248	A	96.5	Very high	96.4	Very high	91 Å²	91	58.2 Å²	58.2	75%	0.752	35%	0.352	S	S	*	.	H	α-helix	trans	-63	-27.3	175.2	0	0	0	0	0	113	T244 G250	T244-A248 WeakPolarHBondContact O-CB 3.46Å; T244-A248 PolarHBondContact O-N 3.41Å; A248-G250 VanDerWaalsContact C-N 3.29Å
249	A	97	Very high	96.3	Very high	72 Å²	72	59.9 Å²	59.9	60%	0.595	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	4.5	173.6	0	0	0	0	0	113.7	Q245 E246 G247 K251	Q245-A249 WeakPolarHBondContact O-CB 3.14Å; Q245-A249 PolarHBondContact O-N 3Å; E246-A249 CarbonylContact O-C 3.58Å; E246-A249 PolarHBondContact O-N 3.12Å; E246-A249 VanDerWaalsContact O-N 3.16Å; G247-A249 PolarHBondContact O-N 2.86Å; A249-K251 VanDerWaalsContact C-N 3.3Å; A249-K251 HydrophobicContact CB-CG 4.41Å; A249-K251 PolarHBondContact O-N 2.98Å
250	G	95	Very high	96.3	Very high	71 Å²	71	60.6 Å²	60.6	73%	0.732	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	19.5	-179.6	0	0	0	0	0	114.4	E246 G247 A248	E246-G250 PolarHBondContact O-N 2.92Å; G247-G250 PolarHBondContact O-N 3.36Å; A248-G250 VanDerWaalsContact C-N 3.29Å
251	K	95.7	Very high	96.3	Very high	132 Å²	132	59.6 Å²	59.6	57%	0.574	36%	0.362	S	S	*	.			trans	-79.6	152	174.8	-61.8	179.7	179.2	177.9	0	110.5	E246 A249 T253	E246-K251 HydrophobicContact CB-CB 4.21Å; E246-K251 HydrophobicContact CB-CD 4.22Å; E246-K251 HydrophobicContact CG-CD 4.09Å; E246-K251 WeakPolarHBondContact O-CB 3.35Å; E246-K251 PolarHBondContact O-N 2.87Å; A249-K251 VanDerWaalsContact C-N 3.3Å; A249-K251 HydrophobicContact CB-CG 4.41Å; A249-K251 PolarHBondContact O-N 2.98Å; K251-T253 PolarHBondContact O-N 3.27Å
252	D	93.9	Very high	96.3	Very high	123 Å²	123	57.6 Å²	57.6	66%	0.658	36%	0.355	S	S	*	.			trans	-72.7	117.5	171.9	179.6	14.9	0	0	0	110.9	S254	D252-S254 WeakPolarHBondContact OD1-CB 3.19Å; D252-S254 PolarHBondContact OD1-N 3.49Å; D252-S254 PolarHBondContact OD1-OG 3.29Å; D252-S254 PolarHBondContact OD2-OG 3.02Å
253	T	94.7	Very high	96.3	Very high	17 Å²	17	58.2 Å²	58.2	10%	0.104	36%	0.358	C	S	.	.			trans	-101	9.1	178.5	55.8	0	0	0	0	113	V243 E246 K251 S255 S256 N257 G258	V243-T253 HydrophobicContact CG1-CG2 4.17Å; E246-T253 HydrophobicContact CB-CG2 3.88Å; K251-T253 PolarHBondContact O-N 3.27Å; T253-S255 VanDerWaalsContact C-N 3.28Å; T253-S255 PolarHBondContact O-N 3.15Å; T253-S256 PolarHBondContact O-N 3.33Å; T253-S256 PolarHBondContact O-OG 3.02Å; T253-N257 PolarHBondContact O-N 2.93Å; T253-G258 PolarHBondContact O-N 2.93Å
254	S	92.9	Very high	96.3	Very high	71 Å²	71	58.1 Å²	58.1	50%	0.497	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-61.7	-36.4	-179.8	65.6	0	0	0	0	112.5	D252 S256 N257	D252-S254 WeakPolarHBondContact OD1-CB 3.19Å; D252-S254 PolarHBondContact OD1-N 3.49Å; D252-S254 PolarHBondContact OD1-OG 3.29Å; D252-S254 PolarHBondContact OD2-OG 3.02Å; S254-S256 PolarHBondContact O-N 3.21Å; S254-S256 VanDerWaalsContact O-N 3.11Å; S254-N257 PolarHBondContact O-N 3.17Å
255	S	91.4	Very high	96.4	Very high	71 Å²	71	56.5 Å²	56.5	50%	0.497	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-61.5	-19.8	178.8	63.5	0	0	0	0	114.3	F184 T253	F184-S255 WeakPolarHBondContact CD1-O 3.29Å; F184-S255 WeakPolarHBondContact CE1-O 3.39Å; T253-S255 VanDerWaalsContact C-N 3.28Å; T253-S255 PolarHBondContact O-N 3.15Å
256	S	93.4	Very high	96.4	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.007	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-110.1	8.7	177.1	62.1	0	0	0	0	113.3	T253 S254 G258 Y278	T253-S256 PolarHBondContact O-N 3.33Å; T253-S256 PolarHBondContact O-OG 3.02Å; S254-S256 PolarHBondContact O-N 3.21Å; S254-S256 VanDerWaalsContact O-N 3.11Å; S256-G258 PolarHBondContact O-N 2.88Å; S256-Y278 VanDerWaalsContact O-CE1 3.24Å; S256-Y278 WeakPolarHBondContact O-CE1 3.32Å; S256-Y278 PolarHBondContact O-OH 2.67Å
257	N	96.5	Very high	96.4	Very high	36 Å²	36	54.9 Å²	54.9	19%	0.193	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	41.2	-169.3	-69.5	-28.2	0	0	0	112.6	F184 T253 S254 D259 L260 L261 I277 Y278	F184-N257 WeakPolarHBondContact CE1-ND2 3.38Å; F184-N257 WeakPolarHBondContact CZ-ND2 3.39Å; T253-N257 PolarHBondContact O-N 2.93Å; S254-N257 PolarHBondContact O-N 3.17Å; N257-D259 PolarHBondContact O-N 2.96Å; N257-L260 PolarHBondContact O-N 2.99Å; N257-L260 VanDerWaalsContact O-N 3.16Å; N257-L261 WeakPolarHBondContact O-CB 3.38Å; N257-L261 PolarHBondContact O-N 3.48Å; N257-I277 HydrophobicContact CB-CD1 3.99Å; N257-Y278 HydrophobicContact CB-CE1 4.37Å
258	G	97.4	Very high	96.5	Very high	1 Å²	1	55 Å²	55	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-54.3	-45.9	-167.8	0	0	0	0	0	114.9	V243 T253 S256 L260 L261 L262	V243-G258 VanDerWaalsContact CG1-CA 3.48Å; T253-G258 PolarHBondContact O-N 2.93Å; S256-G258 PolarHBondContact O-N 2.88Å; G258-L260 PolarHBondContact O-N 2.85Å; G258-L261 PolarHBondContact O-N 2.81Å; G258-L262 WeakPolarHBondContact O-CB 3.27Å; G258-L262 VanDerWaalsContact O-CG 3.26Å; G258-L262 WeakPolarHBondContact O-CG 3.39Å; G258-L262 PolarHBondContact O-N 3.22Å
259	D	97.3	Very high	96.5	Very high	132 Å²	132	55.1 Å²	55.1	71%	0.706	33%	0.329	S	S	*	.	H	α-helix	trans	-62.4	-43.6	-179.6	-68.5	-17.8	0	0	0	112.5	N257 R263	N257-D259 PolarHBondContact O-N 2.96Å; D259-R263 VanDerWaalsContact O-CB 3.26Å; D259-R263 WeakPolarHBondContact O-CB 3.21Å; D259-R263 PolarHBondContact O-N 3.48Å
260	L	98.2	Very high	96.5	Very high	15 Å²	15	52.5 Å²	52.5	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-67.2	-45.4	178.5	179.4	60.9	0	0	0	110.5	L172 N257 G258 R263 L264 I277 Y282 I302	L172-L260 HydrophobicContact CD2-CD2 4.44Å; N257-L260 PolarHBondContact O-N 2.99Å; N257-L260 VanDerWaalsContact O-N 3.16Å; G258-L260 PolarHBondContact O-N 2.85Å; L260-R263 PolarHBondContact O-N 2.91Å; L260-L264 HydrophobicContact CD1-CD1 4.06Å; L260-L264 HydrophobicContact CD1-CD2 4.46Å; L260-L264 HydrophobicContact CD1-CG 4.02Å; L260-L264 HydrophobicContact CG-CD1 4.1Å; L260-L264 HydrophobicContact CG-CG 4.4Å; L260-L264 VanDerWaalsContact O-CG 3.3Å; L260-L264 WeakPolarHBondContact O-CG 3.11Å; L260-L264 PolarHBondContact O-N 3.36Å; L260-I277 HydrophobicContact CD2-CB 4.16Å; L260-I277 HydrophobicContact CD2-CD1 4.35Å; L260-I277 HydrophobicContact CD2-CG2 3.96Å; L260-I277 HydrophobicContact CG-CD1 4.33Å; L260-I277 HydrophobicContact CG-CG2 4.29Å; L260-Y282 HydrophobicContact CD1-CD2 4.49Å; L260-Y282 HydrophobicContact CD1-CE2 4.18Å; L260-Y282 HydrophobicContact CD2-CD1 4.46Å; L260-Y282 HydrophobicContact CD2-CD2 3.76Å; L260-Y282 HydrophobicContact CD2-CE2 4.2Å; L260-Y282 HydrophobicContact CD2-CG 3.9Å; L260-I302 HydrophobicContact CD1-CG2 4.17Å
261	L	98.6	Very high	96.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-55.7	-54.1	176	171.1	75.3	0	0	0	111.3	L236 L239 V243 N257 G258 R263 L264 H265 C274 I277	L236-L261 HydrophobicContact CD1-CD1 3.95Å; L239-L261 HydrophobicContact CD1-CD2 4.01Å; L239-L261 HydrophobicContact CD2-CD1 3.92Å; L239-L261 HydrophobicContact CD2-CD2 3.88Å; L239-L261 HydrophobicContact CG-CD1 4.44Å; L239-L261 HydrophobicContact CG-CD2 3.57Å; V243-L261 HydrophobicContact CB-CD2 4.31Å; V243-L261 HydrophobicContact CG2-CD2 3.9Å; N257-L261 WeakPolarHBondContact O-CB 3.38Å; N257-L261 PolarHBondContact O-N 3.48Å; G258-L261 PolarHBondContact O-N 2.81Å; L261-R263 VanDerWaalsContact C-N 3.29Å; L261-R263 PolarHBondContact O-N 3.36Å; L261-L264 PolarHBondContact O-N 3.3Å; L261-H265 WeakPolarHBondContact O-CB 3.26Å; L261-H265 PolarHBondContact O-N 3.25Å; L261-C274 HydrophobicContact CD1-CB 4.09Å; L261-I277 HydrophobicContact CB-CD1 4Å
262	L	98.5	Very high	96.8	Very high	53 Å²	53	44.3 Å²	44.3	28%	0.277	25%	0.254	S	S	.	.	H	α-helix	trans	-62.4	-39.3	-177.5	-68.7	179.1	0	0	0	111.2	V240 V243 T244 G258 S266	V240-L262 HydrophobicContact CB-CD2 4.47Å; V240-L262 HydrophobicContact CG1-CD2 3.88Å; V243-L262 HydrophobicContact CG1-CD1 4.02Å; V243-L262 HydrophobicContact CG1-CD2 4.38Å; V243-L262 HydrophobicContact CG1-CG 4.06Å; T244-L262 WeakPolarHBondContact OG1-CD2 3.16Å; G258-L262 WeakPolarHBondContact O-CB 3.27Å; G258-L262 VanDerWaalsContact O-CG 3.26Å; G258-L262 WeakPolarHBondContact O-CG 3.39Å; G258-L262 PolarHBondContact O-N 3.22Å; L262-S266 WeakPolarHBondContact O-CB 3.21Å; L262-S266 PolarHBondContact O-N 2.81Å
263	R	98.4	Very high	97	Very high	64 Å²	64	38.5 Å²	38.5	24%	0.242	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-52.7	174.1	-178.2	-178.2	-178.4	-178.8	4.5	111.5	N128 D259 L260 L261 H265 S266 Q267 Y303	N128-R263 PolarHBondContact O-NH2 3.44Å; D259-R263 VanDerWaalsContact O-CB 3.26Å; D259-R263 WeakPolarHBondContact O-CB 3.21Å; D259-R263 PolarHBondContact O-N 3.48Å; L260-R263 PolarHBondContact O-N 2.91Å; L261-R263 VanDerWaalsContact C-N 3.29Å; L261-R263 PolarHBondContact O-N 3.36Å; R263-H265 VanDerWaalsContact C-N 3.34Å; R263-H265 PolarHBondContact O-N 2.67Å; R263-S266 PolarHBondContact O-N 2.95Å; R263-S266 PolarHBondContact O-OG 2.89Å; R263-Q267 WeakPolarHBondContact O-CG 3.38Å; R263-Q267 PolarHBondContact O-N 2.83Å; R263-Y303 VanDerWaalsContact NH2-CB 3.28Å; R263-Y303 VanDerWaalsContact NH2-CG 3.28Å
264	L	98.5	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-41.3	-178.5	-67.4	-178.5	0	0	0	111.6	A130 L260 L261 S266 Q267 Y268 I277 I302 L321	A130-L264 HydrophobicContact CB-CD2 3.5Å; A130-L264 VanDerWaalsContact CB-CD2 3.5Å; L260-L264 HydrophobicContact CD1-CD1 4.06Å; L260-L264 HydrophobicContact CD1-CD2 4.46Å; L260-L264 HydrophobicContact CD1-CG 4.02Å; L260-L264 HydrophobicContact CG-CD1 4.1Å; L260-L264 HydrophobicContact CG-CG 4.4Å; L260-L264 VanDerWaalsContact O-CG 3.3Å; L260-L264 WeakPolarHBondContact O-CG 3.11Å; L260-L264 PolarHBondContact O-N 3.36Å; L261-L264 PolarHBondContact O-N 3.3Å; L264-S266 VanDerWaalsContact C-N 3.31Å; L264-S266 PolarHBondContact O-N 2.86Å; L264-Q267 PolarHBondContact O-N 2.85Å; L264-Q267 VanDerWaalsContact O-N 3.12Å; L264-Y268 PolarHBondContact O-N 2.65Å; L264-I277 HydrophobicContact CD1-CG2 3.42Å; L264-I277 VanDerWaalsContact CD1-CG2 3.42Å; L264-I302 HydrophobicContact CD2-CD1 4.18Å; L264-L321 HydrophobicContact CB-CD2 4.28Å; L264-L321 HydrophobicContact CD1-CD1 4.16Å; L264-L321 HydrophobicContact CD1-CD2 4.45Å; L264-L321 HydrophobicContact CD2-CD1 3.95Å
265	H	98.4	Very high	97.4	Very high	35 Å²	35	34.3 Å²	34.3	16%	0.162	20%	0.195	C	C	.	.	H	α-helix	trans	-61.8	-38.4	175.1	179.2	-97.5	0	0	0	112.2	V240 L261 R263 Q267 Y268 P269	V240-H265 HydrophobicContact CG2-CB 3.98Å; L261-H265 WeakPolarHBondContact O-CB 3.26Å; L261-H265 PolarHBondContact O-N 3.25Å; R263-H265 VanDerWaalsContact C-N 3.34Å; R263-H265 PolarHBondContact O-N 2.67Å; H265-Q267 PolarHBondContact O-N 2.78Å; H265-Y268 CarbonylContact O-C 3.53Å; H265-Y268 VanDerWaalsContact O-C 3.27Å; H265-Y268 PolarHBondContact O-N 3.4Å; H265-P269 VanDerWaalsContact O-CA 3.25Å; H265-P269 WeakPolarHBondContact O-CA 3.44Å; H265-P269 VanDerWaalsContact O-CD 3.3Å; H265-P269 WeakPolarHBondContact O-CD 3.39Å; H265-P269 WeakPolarHBondContact O-CG 3.47Å
266	S	98.3	Very high	97.7	Very high	85 Å²	85	30.9 Å²	30.9	59%	0.594	17%	0.171	S	C	*	.	H	α-helix	trans	-63.4	-31.2	175.9	77.6	0	0	0	0	113	L262 R263 L264	L262-S266 WeakPolarHBondContact O-CB 3.21Å; L262-S266 PolarHBondContact O-N 2.81Å; R263-S266 PolarHBondContact O-N 2.95Å; R263-S266 PolarHBondContact O-OG 2.89Å; L264-S266 VanDerWaalsContact C-N 3.31Å; L264-S266 PolarHBondContact O-N 2.86Å
267	Q	97.9	Very high	97.9	Very high	44 Å²	44	30.9 Å²	30.9	21%	0.206	17%	0.171	C	C	.	.	H	α-helix	trans	-85.1	-35.5	178.7	-64.8	175.7	-5.4	0	0	111.9	T129 R263 L264 H265	T129-Q267 HydrophobicContact CG2-CG 4.27Å; R263-Q267 WeakPolarHBondContact O-CG 3.38Å; R263-Q267 PolarHBondContact O-N 2.83Å; L264-Q267 PolarHBondContact O-N 2.85Å; L264-Q267 VanDerWaalsContact O-N 3.12Å; H265-Q267 PolarHBondContact O-N 2.78Å
268	Y	97.8	Very high	98	Very high	40 Å²	40	29.1 Å²	29.1	16%	0.157	16%	0.161	C	C	.	.	S	Bend	trans	-134.3	71.7	-176	-60.8	-82.6	0	0	0	111.3	A130 L264 H265 G270 D271 L321	A130-Y268 HydrophobicContact CB-CE2 4.22Å; A130-Y268 VanDerWaalsContact O-CE2 3.3Å; A130-Y268 WeakPolarHBondContact O-CE2 3.3Å; A130-Y268 PolarHBondContact O-OH 3.19Å; L264-Y268 PolarHBondContact O-N 2.65Å; H265-Y268 CarbonylContact O-C 3.53Å; H265-Y268 VanDerWaalsContact O-C 3.27Å; H265-Y268 PolarHBondContact O-N 3.4Å; Y268-G270 PolarHBondContact O-N 3.4Å; Y268-D271 WeakPolarHBondContact O-CB 3.2Å; Y268-D271 PolarHBondContact O-N 2.96Å; Y268-L321 HydrophobicContact CD2-CB 3.95Å; Y268-L321 HydrophobicContact CD2-CD2 3.9Å; Y268-L321 HydrophobicContact CD2-CG 4.44Å; Y268-L321 VanDerWaalsContact CE1-C 3.42Å; Y268-L321 WeakPolarHBondContact CE1-O 3.3Å; Y268-L321 HydrophobicContact CE2-CB 3.97Å; Y268-L321 HydrophobicContact CG-CB 4.24Å; Y268-L321 HydrophobicContact CG-CD2 4.18Å
269	P	97.6	Very high	98.1	Very high	95 Å²	95	29.1 Å²	29.1	62%	0.617	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	131.1	-179.2	-22.5	32.4	0	0	0	111.6	H265 D271	H265-P269 VanDerWaalsContact O-CA 3.25Å; H265-P269 WeakPolarHBondContact O-CA 3.44Å; H265-P269 VanDerWaalsContact O-CD 3.3Å; H265-P269 WeakPolarHBondContact O-CD 3.39Å; H265-P269 WeakPolarHBondContact O-CG 3.47Å; P269-D271 VanDerWaalsContact C-N 3.31Å; P269-D271 PolarHBondContact O-N 3.13Å
270	G	96.5	Very high	98.1	Very high	17 Å²	17	22.8 Å²	22.8	18%	0.175	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	19.3	179.4	0	0	0	0	0	115.3	F232 V233 Y268	F232-G270 WeakPolarHBondContact CE2-O 2.91Å; V233-G270 WeakPolarHBondContact CG2-O 3.28Å; Y268-G270 PolarHBondContact O-N 3.4Å
271	D	98.3	Very high	98.1	Very high	22 Å²	22	22.1 Å²	22.1	12%	0.118	12%	0.124	C	C	.	.			trans	-94.6	133.4	179.6	-167.7	-61	0	0	0	112.1	L236 Y268 P269 G273 C274 G320 L321 T322	L236-D271 WeakPolarHBondContact CD2-O 3.22Å; Y268-D271 WeakPolarHBondContact O-CB 3.2Å; Y268-D271 PolarHBondContact O-N 2.96Å; P269-D271 VanDerWaalsContact C-N 3.31Å; P269-D271 PolarHBondContact O-N 3.13Å; D271-G273 PolarHBondContact O-N 2.96Å; D271-G273 VanDerWaalsContact O-N 3.17Å; D271-G273 PolarHBondContact OD1-N 2.8Å; D271-C274 WeakPolarHBondContact O-CB 3.17Å; D271-C274 PolarHBondContact O-N 3.42Å; D271-C274 VanDerWaalsContact O-N 3.11Å; D271-C274 PolarHBondContact O-SG 2.92Å; D271-C274 VanDerWaalsContact O-SG 3.4Å; D271-G320 WeakPolarHBondContact OD1-CA 3.42Å; D271-L321 PolarHBondContact OD1-N 2.9Å; D271-L321 WeakPolarHBondContact OD2-CA 3.14Å; D271-L321 PolarHBondContact OD2-N 2.8Å; D271-T322 PolarHBondContact OD2-N 3.21Å
272	I	97.8	Very high	98.1	Very high	9 Å²	9	25.6 Å²	25.6	5%	0.046	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.8	-179.5	-165.4	165.1	0	0	0	113.5	M224 M225 F232 C274 F275	M224-I272 HydrophobicContact CG-CD1 4.23Å; M224-I272 HydrophobicContact CG-CG1 4.26Å; M224-I272 VanDerWaalsContact O-CD1 3.32Å; M224-I272 WeakPolarHBondContact O-CD1 3.46Å; M225-I272 HydrophobicContact CE-CD1 4.42Å; M225-I272 HydrophobicContact CE-CG2 4.11Å; M225-I272 HydrophobicContact SD-CD1 3.99Å; M225-I272 HydrophobicContact SD-CG1 4.29Å; M225-I272 HydrophobicContact SD-CG2 4.41Å; F232-I272 HydrophobicContact CD1-CD1 3.96Å; F232-I272 HydrophobicContact CD1-CG1 4.47Å; F232-I272 HydrophobicContact CD2-CB 4.17Å; F232-I272 HydrophobicContact CE1-CB 4.3Å; F232-I272 HydrophobicContact CE1-CD1 4.04Å; F232-I272 HydrophobicContact CE2-CB 3.95Å; F232-I272 HydrophobicContact CG-CD1 4.37Å; F232-I272 HydrophobicContact CG-CG1 4.43Å; F232-I272 HydrophobicContact CZ-CB 4.02Å; I272-C274 PolarHBondContact O-N 3.35Å; I272-C274 VanDerWaalsContact O-N 3.11Å; I272-F275 PolarHBondContact O-N 3.35Å
273	G	97.6	Very high	98.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.2	-21.4	176.3	0	0	0	0	0	113.7	D271 F275 S276	D271-G273 PolarHBondContact O-N 2.96Å; D271-G273 VanDerWaalsContact O-N 3.17Å; D271-G273 PolarHBondContact OD1-N 2.8Å; G273-F275 PolarHBondContact O-N 2.87Å; G273-S276 WeakPolarHBondContact O-CB 3.38Å; G273-S276 PolarHBondContact O-N 3.18Å; G273-S276 VanDerWaalsContact O-N 3.17Å
274	C	98.3	Very high	98.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-30.5	172.7	-63.2	0	0	0	0	112.5	L236 L261 D271 I272 I277	L236-C274 HydrophobicContact CD1-CB 3.65Å; L236-C274 HydrophobicContact CD2-CB 3.9Å; L236-C274 HydrophobicContact CG-CB 4.47Å; L261-C274 HydrophobicContact CD1-CB 4.09Å; D271-C274 WeakPolarHBondContact O-CB 3.17Å; D271-C274 PolarHBondContact O-N 3.42Å; D271-C274 VanDerWaalsContact O-N 3.11Å; D271-C274 PolarHBondContact O-SG 2.92Å; D271-C274 VanDerWaalsContact O-SG 3.4Å; I272-C274 PolarHBondContact O-N 3.35Å; I272-C274 VanDerWaalsContact O-N 3.11Å; C274-I277 WeakPolarHBondContact O-CG1 3.5Å
275	F	98.6	Very high	98.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-82.5	-24.5	174	-75.2	-74.9	0	0	0	112.9	E190 F191 L194 M224 E235 L236 L239 I272 G273 I277 Y278	E190-F275 HydrophobicContact CB-CE1 4.29Å; E190-F275 HydrophobicContact CB-CZ 4.42Å; F191-F275 HydrophobicContact CB-CD1 4.01Å; F191-F275 HydrophobicContact CB-CE1 4.16Å; F191-F275 HydrophobicContact CD2-CB 4.47Å; F191-F275 HydrophobicContact CD2-CD1 4.01Å; F191-F275 HydrophobicContact CG-CD1 4.47Å; L194-F275 HydrophobicContact CD1-CD1 4.05Å; L194-F275 HydrophobicContact CD1-CD2 3.46Å; L194-F275 VanDerWaalsContact CD1-CD2 3.46Å; L194-F275 HydrophobicContact CD1-CE1 4.03Å; L194-F275 HydrophobicContact CD1-CE2 3.42Å; L194-F275 VanDerWaalsContact CD1-CE2 3.42Å; L194-F275 HydrophobicContact CD1-CG 3.78Å; L194-F275 HydrophobicContact CD1-CZ 3.72Å; M224-F275 HydrophobicContact SD-CB 3.62Å; E235-F275 HydrophobicContact CB-CZ 4.04Å; L236-F275 HydrophobicContact CB-CE2 3.7Å; L236-F275 HydrophobicContact CB-CZ 4.14Å; L236-F275 HydrophobicContact CD1-CD2 4.47Å; L236-F275 HydrophobicContact CD1-CE2 4.05Å; L236-F275 HydrophobicContact CD1-CZ 4.31Å; L236-F275 HydrophobicContact CG-CE2 4.37Å; L239-F275 HydrophobicContact CD2-CD1 4.22Å; L239-F275 HydrophobicContact CD2-CE1 3.58Å; L239-F275 HydrophobicContact CD2-CZ 4.1Å; I272-F275 PolarHBondContact O-N 3.35Å; G273-F275 PolarHBondContact O-N 2.87Å; F275-I277 PolarHBondContact O-N 3.05Å; F275-I277 VanDerWaalsContact O-N 3.11Å; F275-Y278 HydrophobicContact CB-CD2 4.47Å; F275-Y278 HydrophobicContact CD1-CD2 4.03Å; F275-Y278 AromaticContact CD1-CE2 3.88Å; F275-Y278 HydrophobicContact CD1-CE2 3.88Å; F275-Y278 WeakPolarHBondContact O-CB 3.36Å; F275-Y278 VanDerWaalsContact O-CD2 3.25Å; F275-Y278 WeakPolarHBondContact O-CD2 3.21Å; F275-Y278 PolarHBondContact O-N 2.83Å
276	S	97.6	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.6	-22.1	-179.7	-53.8	0	0	0	0	113	G273 Y278 F279 L280	G273-S276 WeakPolarHBondContact O-CB 3.38Å; G273-S276 PolarHBondContact O-N 3.18Å; G273-S276 VanDerWaalsContact O-N 3.17Å; S276-Y278 PolarHBondContact O-N 2.79Å; S276-Y278 VanDerWaalsContact O-N 3.12Å; S276-F279 PolarHBondContact O-N 2.9Å; S276-L280 WeakPolarHBondContact O-CG 3.31Å; S276-L280 PolarHBondContact O-N 3.04Å
277	I	97.6	Very high	98.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.2	174.1	74.3	-176.8	0	0	0	112.5	L172 R176 N257 L260 L261 L264 C274 F275 F279 L280	L172-I277 HydrophobicContact CD1-CG2 4.16Å; L172-I277 HydrophobicContact CD2-CG2 4.4Å; R176-I277 PolarHBondContact NH2-O 3.27Å; N257-I277 HydrophobicContact CB-CD1 3.99Å; L260-I277 HydrophobicContact CD2-CB 4.16Å; L260-I277 HydrophobicContact CD2-CD1 4.35Å; L260-I277 HydrophobicContact CD2-CG2 3.96Å; L260-I277 HydrophobicContact CG-CD1 4.33Å; L260-I277 HydrophobicContact CG-CG2 4.29Å; L261-I277 HydrophobicContact CB-CD1 4Å; L264-I277 HydrophobicContact CD1-CG2 3.42Å; L264-I277 VanDerWaalsContact CD1-CG2 3.42Å; C274-I277 WeakPolarHBondContact O-CG1 3.5Å; F275-I277 PolarHBondContact O-N 3.05Å; F275-I277 VanDerWaalsContact O-N 3.11Å; I277-F279 VanDerWaalsContact C-N 3.33Å; I277-L280 VanDerWaalsContact O-O 3.08Å
278	Y	98.7	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-17	178.4	-56.7	-52.7	0	0	0	113.3	R176 F184 V188 F191 L239 S256 N257 F275 S276	R176-Y278 WeakPolarHBondContact CD-O 3.27Å; R176-Y278 PolarHBondContact NE-O 2.9Å; F184-Y278 HydrophobicContact CB-CD1 3.94Å; F184-Y278 HydrophobicContact CB-CG 4.21Å; F184-Y278 AromaticContact CD1-CD1 3.4Å; F184-Y278 HydrophobicContact CD1-CD1 3.4Å; F184-Y278 AromaticContact CD1-CE1 3.8Å; F184-Y278 HydrophobicContact CD1-CE1 3.8Å; F184-Y278 HydrophobicContact CD1-CG 4.44Å; F184-Y278 HydrophobicContact CD2-CD1 4.22Å; F184-Y278 AromaticContact CE1-CD1 3.94Å; F184-Y278 HydrophobicContact CE1-CD1 3.94Å; F184-Y278 HydrophobicContact CE1-CE1 4.2Å; F184-Y278 AromaticContact CG-CD1 3.56Å; F184-Y278 HydrophobicContact CG-CD1 3.56Å; F184-Y278 HydrophobicContact CG-CE1 4.4Å; F184-Y278 HydrophobicContact CG-CG 4.24Å; V188-Y278 HydrophobicContact CG1-CE2 4.12Å; V188-Y278 HydrophobicContact CG2-CE1 4.06Å; F191-Y278 HydrophobicContact CB-CD2 3.94Å; F191-Y278 HydrophobicContact CB-CE2 4.26Å; F191-Y278 HydrophobicContact CD1-CD2 4.16Å; F191-Y278 HydrophobicContact CD1-CG 4.12Å; F191-Y278 AromaticContact CD2-CD2 3.79Å; F191-Y278 HydrophobicContact CD2-CD2 3.79Å; F191-Y278 HydrophobicContact CD2-CG 4.37Å; F191-Y278 HydrophobicContact CE1-CG 4.34Å; F191-Y278 HydrophobicContact CE2-CD2 4.32Å; F191-Y278 AromaticContact CG-CD2 3.7Å; F191-Y278 HydrophobicContact CG-CD2 3.7Å; F191-Y278 HydrophobicContact CG-CE2 4.5Å; F191-Y278 HydrophobicContact CG-CG 4.14Å; L239-Y278 HydrophobicContact CD2-CE2 4.02Å; S256-Y278 VanDerWaalsContact O-CE1 3.24Å; S256-Y278 WeakPolarHBondContact O-CE1 3.32Å; S256-Y278 PolarHBondContact O-OH 2.67Å; N257-Y278 HydrophobicContact CB-CE1 4.37Å; F275-Y278 HydrophobicContact CB-CD2 4.47Å; F275-Y278 HydrophobicContact CD1-CD2 4.03Å; F275-Y278 AromaticContact CD1-CE2 3.88Å; F275-Y278 HydrophobicContact CD1-CE2 3.88Å; F275-Y278 WeakPolarHBondContact O-CB 3.36Å; F275-Y278 VanDerWaalsContact O-CD2 3.25Å; F275-Y278 WeakPolarHBondContact O-CD2 3.21Å; F275-Y278 PolarHBondContact O-N 2.83Å; S276-Y278 PolarHBondContact O-N 2.79Å; S276-Y278 VanDerWaalsContact O-N 3.12Å
279	F	98.8	Very high	98.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-29.8	173.2	-75.8	-70.3	0	0	0	113	F175 R176 I181 F191 V195 L217 C220 F221 M224 S276 I277	F175-F279 VanDerWaalsContact CA-O 3.31Å; F175-F279 WeakPolarHBondContact CA-O 3.23Å; F175-F279 HydrophobicContact CD1-CB 4.1Å; F175-F279 HydrophobicContact CE1-CB 4.2Å; R176-F279 WeakPolarHBondContact CG-O 3.34Å; R176-F279 PolarHBondContact N-O 2.79Å; I181-F279 HydrophobicContact CD1-CD1 4.12Å; I181-F279 HydrophobicContact CG2-CD1 4.02Å; I181-F279 HydrophobicContact CG2-CE1 3.96Å; F191-F279 AromaticContact CE2-CD2 3.81Å; F191-F279 HydrophobicContact CE2-CD2 3.81Å; F191-F279 AromaticContact CE2-CE2 3.32Å; F191-F279 HydrophobicContact CE2-CE2 3.32Å; F191-F279 AromaticContact CE2-CZ 3.85Å; F191-F279 HydrophobicContact CE2-CZ 3.85Å; F191-F279 HydrophobicContact CZ-CD1 4.47Å; F191-F279 AromaticContact CZ-CD2 3.86Å; F191-F279 HydrophobicContact CZ-CD2 3.86Å; F191-F279 HydrophobicContact CZ-CE1 4.1Å; F191-F279 AromaticContact CZ-CE2 3.47Å; F191-F279 HydrophobicContact CZ-CE2 3.47Å; F191-F279 VanDerWaalsContact CZ-CE2 3.47Å; F191-F279 HydrophobicContact CZ-CG 4.36Å; F191-F279 AromaticContact CZ-CZ 3.59Å; F191-F279 HydrophobicContact CZ-CZ 3.59Å; V195-F279 HydrophobicContact CG2-CE2 4.22Å; V195-F279 HydrophobicContact CG2-CZ 3.75Å; L217-F279 HydrophobicContact CD1-CD1 3.85Å; L217-F279 HydrophobicContact CD1-CE1 4Å; C220-F279 HydrophobicContact CB-CE1 3.82Å; C220-F279 HydrophobicContact CB-CZ 3.86Å; F221-F279 HydrophobicContact CD2-CB 4.24Å; F221-F279 HydrophobicContact CD2-CD1 4.48Å; F221-F279 AromaticContact CD2-CD2 3.8Å; F221-F279 HydrophobicContact CD2-CD2 3.8Å; F221-F279 HydrophobicContact CD2-CE2 4.19Å; F221-F279 AromaticContact CD2-CG 3.94Å; F221-F279 HydrophobicContact CD2-CG 3.94Å; F221-F279 HydrophobicContact CE2-CD2 4.38Å; M224-F279 HydrophobicContact CB-CE2 4.31Å; M224-F279 HydrophobicContact CE-CD2 3.46Å; M224-F279 VanDerWaalsContact CE-CD2 3.46Å; M224-F279 HydrophobicContact CE-CE2 3.41Å; M224-F279 VanDerWaalsContact CE-CE2 3.41Å; M224-F279 HydrophobicContact SD-CD2 3.98Å; M224-F279 HydrophobicContact SD-CE2 3.74Å; S276-F279 PolarHBondContact O-N 2.9Å; I277-F279 VanDerWaalsContact C-N 3.33Å
280	L	98.8	Very high	98.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	146.3	-170.5	-56.3	-175.6	0	0	0	112.4	I133 L172 G174 F175 R176 S276 I277 Y282 P298	I133-L280 HydrophobicContact CG2-CD1 3.84Å; L172-L280 HydrophobicContact CB-CB 4.23Å; L172-L280 HydrophobicContact CB-CD1 4.16Å; L172-L280 HydrophobicContact CD1-CD1 4.29Å; G174-L280 CarbonylContact O-C 3.53Å; G174-L280 VanDerWaalsContact O-CA 3.25Å; G174-L280 WeakPolarHBondContact O-CA 3.43Å; F175-L280 HydrophobicContact CD1-CD2 4.1Å; F175-L280 HydrophobicContact CE1-CD2 4.26Å; R176-L280 PolarHBondContact NE-O 3.04Å; R176-L280 VanDerWaalsContact NE-O 3.1Å; R176-L280 PolarHBondContact NH2-O 3Å; S276-L280 WeakPolarHBondContact O-CG 3.31Å; S276-L280 PolarHBondContact O-N 3.04Å; I277-L280 VanDerWaalsContact O-O 3.08Å; L280-Y282 PolarHBondContact O-N 3.22Å; L280-P298 HydrophobicContact CD1-CB 4.31Å; L280-P298 HydrophobicContact CD2-CB 3.99Å; L280-P298 HydrophobicContact CD2-CG 3.51Å
281	N	98.6	Very high	98.3	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	132.2	171.8	-67	-67.9	0	0	0	110	L172 C173 G174 F175 R176 V283 A340 A342	L172-N281 CarbonylContact C-O 3.49Å; L172-N281 WeakPolarHBondContact CA-O 3.25Å; C173-N281 PolarHBondContact N-O 3.23Å; C173-N281 WeakPolarHBondContact O-CB 3.31Å; C173-N281 PolarHBondContact O-ND2 2.89Å; G174-N281 PolarHBondContact O-N 3.19Å; G174-N281 PolarHBondContact O-ND2 2.74Å; F175-N281 PolarHBondContact O-ND2 3.15Å; R176-N281 WeakPolarHBondContact CA-OD1 3.39Å; R176-N281 VanDerWaalsContact CB-OD1 3.25Å; R176-N281 WeakPolarHBondContact CB-OD1 3.34Å; N281-V283 HydrophobicContact CB-CG2 3.99Å; N281-A340 PolarHBondContact ND2-O 3Å; N281-A340 PolarHBondContact OD1-O 2.66Å; N281-A342 HydrophobicContact CB-CB 4Å; N281-A342 PolarHBondContact OD1-N 2.93Å
282	Y	98.3	Very high	98.3	Very high	73 Å²	73	19.9 Å²	19.9	29%	0.286	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	110.9	163.6	178	-121.6	0	0	0	108.8	Q170 L172 L260 L280 V284	Q170-Y282 HydrophobicContact CB-CE2 3.96Å; Q170-Y282 HydrophobicContact CG-CE2 4.46Å; Q170-Y282 WeakPolarHBondContact CG-OH 3.37Å; Q170-Y282 PolarHBondContact OE1-OH 2.96Å; L172-Y282 HydrophobicContact CD2-CD2 4.19Å; L260-Y282 HydrophobicContact CD1-CD2 4.49Å; L260-Y282 HydrophobicContact CD1-CE2 4.18Å; L260-Y282 HydrophobicContact CD2-CD1 4.46Å; L260-Y282 HydrophobicContact CD2-CD2 3.76Å; L260-Y282 HydrophobicContact CD2-CE2 4.2Å; L260-Y282 HydrophobicContact CD2-CG 3.9Å; L280-Y282 PolarHBondContact O-N 3.22Å; Y282-V284 HydrophobicContact CE1-CG2 3.92Å
283	V	98.2	Very high	98.3	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.03	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.1	-174.4	-176.2	0	0	0	0	109	Q170 G171 C173 N281 L285 A342 K345	Q170-V283 WeakPolarHBondContact CA-O 3.27Å; G171-V283 PolarHBondContact N-O 2.8Å; G171-V283 PolarHBondContact O-N 3.09Å; C173-V283 HydrophobicContact CB-CG2 4.24Å; N281-V283 HydrophobicContact CB-CG2 3.99Å; V283-L285 HydrophobicContact CG1-CD2 3.88Å; V283-L285 HydrophobicContact CG1-CG 4.25Å; V283-A342 HydrophobicContact CG2-CB 4.38Å; V283-K345 HydrophobicContact CG2-CB 4.05Å; V283-K345 HydrophobicContact CG2-CG 4.41Å
284	V	98.3	Very high	98.1	Very high	40 Å²	40	20 Å²	20	24%	0.242	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.4	171.9	-178.9	0	0	0	0	107.6	R168 F169 Q170 Y282	R168-V284 HydrophobicContact CG-CG1 3.74Å; R168-V284 VanDerWaalsContact NE-CG1 3.34Å; F169-V284 CarbonylContact O-C 3.6Å; F169-V284 WeakPolarHBondContact O-CA 3.24Å; Q170-V284 HydrophobicContact CG-CG2 4.42Å; Y282-V284 HydrophobicContact CE1-CG2 3.92Å
285	L	98.8	Very high	98	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.2	176	-59.3	178.2	0	0	0	109.3	A165 R168 F169 V283 Q289 M291 I346	A165-L285 HydrophobicContact CB-CB 3.77Å; R168-L285 WeakPolarHBondContact CA-O 3.34Å; F169-L285 HydrophobicContact CB-CB 4.35Å; F169-L285 HydrophobicContact CD1-CD1 4.29Å; F169-L285 PolarHBondContact N-O 2.86Å; F169-L285 PolarHBondContact O-N 3.3Å; V283-L285 HydrophobicContact CG1-CD2 3.88Å; V283-L285 HydrophobicContact CG1-CG 4.25Å; L285-Q289 HydrophobicContact CB-CB 4.09Å; L285-Q289 HydrophobicContact CD2-CB 4.02Å; L285-M291 HydrophobicContact CD1-CB 4.16Å; L285-M291 HydrophobicContact CD1-CG 3.92Å; L285-M291 HydrophobicContact CD1-SD 4.1Å; L285-I346 HydrophobicContact CD2-CG1 4.18Å
286	E	98.5	Very high	97.9	Very high	92 Å²	92	23.1 Å²	23.1	43%	0.43	13%	0.129	S	C	.	.	P	Polyproline II helix	trans	-76.9	155.9	166.4	-64.8	-55.6	147.3	0	0	110.7	A165 R168 G288 Q289	A165-E286 WeakPolarHBondContact CB-O 3.29Å; R168-E286 IonicContact NE-OE1 3.66Å; E286-G288 PolarHBondContact O-N 2.8Å; E286-Q289 HydrophobicContact CB-CG 4.34Å; E286-Q289 VanDerWaalsContact O-CB 3.27Å; E286-Q289 WeakPolarHBondContact O-CB 3.22Å; E286-Q289 PolarHBondContact O-N 2.8Å
287	P	98.4	Very high	97.9	Very high	78 Å²	78	24.2 Å²	24.2	51%	0.506	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	127.3	179.8	-28.7	35.4	0	0	0	113.2	A165 Q289	A165-P287 WeakPolarHBondContact O-CA 3.42Å; P287-Q289 VanDerWaalsContact C-N 3.34Å
288	G	97.8	Very high	98	Very high	13 Å²	13	24.2 Å²	24.2	13%	0.134	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-13	-174.9	0	0	0	0	0	115.3	A165 E286 Y361	A165-G288 PolarHBondContact O-N 2.9Å; E286-G288 PolarHBondContact O-N 2.8Å; G288-Y361 WeakPolarHBondContact O-CE1 3.37Å; G288-Y361 PolarHBondContact O-OH 2.76Å
289	Q	98.6	Very high	98	Very high	67 Å²	67	24.2 Å²	24.2	31%	0.313	13%	0.134	S	C	.	.			trans	-74.8	152.5	166.9	-63.6	-174	-45.1	0	0	110.3	A165 L285 E286 P287 I346	A165-Q289 PolarHBondContact N-O 3.06Å; L285-Q289 HydrophobicContact CB-CB 4.09Å; L285-Q289 HydrophobicContact CD2-CB 4.02Å; E286-Q289 HydrophobicContact CB-CG 4.34Å; E286-Q289 VanDerWaalsContact O-CB 3.27Å; E286-Q289 WeakPolarHBondContact O-CB 3.22Å; E286-Q289 PolarHBondContact O-N 2.8Å; P287-Q289 VanDerWaalsContact C-N 3.34Å; Q289-I346 HydrophobicContact CB-CG2 4.47Å
290	A	98.7	Very high	98	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	163.1	-177.7	0	0	0	0	0	112	A163 I164 I346 F347 Y361	A163-A290 CarbonylContact O-C 3.53Å; A163-A290 WeakPolarHBondContact O-CA 3.42Å; A163-A290 WeakPolarHBondContact O-CB 3.39Å; I164-A290 HydrophobicContact CB-CB 4.35Å; I164-A290 HydrophobicContact CG1-CB 3.9Å; I164-A290 HydrophobicContact CG2-CB 4.39Å; A290-I346 CarbonylContact O-C 3.59Å; A290-I346 WeakPolarHBondContact O-CA 3.28Å; A290-F347 HydrophobicContact CB-CB 4.16Å; A290-F347 PolarHBondContact O-N 3.15Å; A290-Y361 HydrophobicContact CB-CD1 3.53Å; A290-Y361 HydrophobicContact CB-CE1 3.69Å
291	M	98.1	Very high	98	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.9	162.7	67.1	-170.2	-175.8	0	0	109.4	M162 A163 F169 C173 L285 L293 Y301 K345	M162-M291 WeakPolarHBondContact CA-O 3.36Å; A163-M291 HydrophobicContact CB-CE 4.23Å; A163-M291 HydrophobicContact CB-CG 4.27Å; A163-M291 PolarHBondContact N-O 3.36Å; A163-M291 PolarHBondContact O-N 3.1Å; F169-M291 HydrophobicContact CE1-CE 3.96Å; C173-M291 HydrophobicContact CB-SD 4.19Å; L285-M291 HydrophobicContact CD1-CB 4.16Å; L285-M291 HydrophobicContact CD1-CG 3.92Å; L285-M291 HydrophobicContact CD1-SD 4.1Å; M291-L293 HydrophobicContact CE-CD2 4.4Å; M291-L293 HydrophobicContact CG-CD2 4.44Å; M291-Y301 HydrophobicContact CE-CD1 3.64Å; M291-Y301 HydrophobicContact CE-CE1 3.42Å; M291-Y301 VanDerWaalsContact CE-CE1 3.42Å; M291-K345 VanDerWaalsContact CB-O 3.22Å; M291-K345 WeakPolarHBondContact CB-O 3.46Å
292	F	98.2	Very high	98	Very high	37 Å²	37	24.3 Å²	24.3	16%	0.162	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.4	173.9	175.2	-112.5	0	0	0	109.2	P160 E161 M162 F347 P363 P364 V365 F368	P160-F292 HydrophobicContact CB-CE2 3.79Å; P160-F292 HydrophobicContact CB-CZ 3.8Å; E161-F292 WeakPolarHBondContact O-CD2 3.03Å; M162-F292 HydrophobicContact CB-CD2 4.38Å; F292-F347 HydrophobicContact CB-CB 4.45Å; F292-F347 HydrophobicContact CB-CD2 3.55Å; F292-F347 HydrophobicContact CB-CE2 4.12Å; F292-F347 HydrophobicContact CB-CG 4.18Å; F292-F347 HydrophobicContact CG-CD2 4.48Å; F292-P363 HydrophobicContact CD1-CB 4.42Å; F292-P363 HydrophobicContact CD2-CB 3.35Å; F292-P363 HydrophobicContact CD2-CG 4.12Å; F292-P363 HydrophobicContact CE1-CB 4.49Å; F292-P363 HydrophobicContact CE2-CB 3.44Å; F292-P363 VanDerWaalsContact CE2-CB 3.44Å; F292-P363 HydrophobicContact CE2-CG 4.12Å; F292-P363 HydrophobicContact CG-CB 3.88Å; F292-P363 HydrophobicContact CZ-CB 4.04Å; F292-P364 HydrophobicContact CE1-CG 4.27Å; F292-V365 HydrophobicContact CE2-CG1 4.44Å; F292-V365 HydrophobicContact CE2-CG2 4.37Å; F292-V365 HydrophobicContact CZ-CG1 3.85Å; F292-F368 HydrophobicContact CE2-CZ 4.48Å
293	L	97.1	Very high	98	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	97.1	-176.7	-56.2	173.1	0	0	0	107.6	E161 C173 M291 H299 Y301	E161-L293 HydrophobicContact CB-CB 4.13Å; E161-L293 HydrophobicContact CB-CD1 3.98Å; E161-L293 PolarHBondContact N-O 2.91Å; E161-L293 PolarHBondContact O-N 3.14Å; C173-L293 HydrophobicContact CB-CD2 4.4Å; M291-L293 HydrophobicContact CE-CD2 4.4Å; M291-L293 HydrophobicContact CG-CD2 4.44Å; L293-H299 VanDerWaalsContact CD1-CD2 3.43Å; L293-H299 WeakPolarHBondContact CD1-CD2 3.29Å; L293-H299 HydrophobicContact CD2-CB 3.61Å; L293-Y301 HydrophobicContact CD1-CE1 3.81Å; L293-Y301 WeakPolarHBondContact CD1-OH 3.44Å
294	G	94.7	Very high	98	Very high	13 Å²	13	24.6 Å²	24.6	13%	0.134	14%	0.135	C	C	.	.			trans	-73.2	168.8	-179.9	0	0	0	0	0	112.8	E297	G294-E297 WeakPolarHBondContact O-CB 3.42Å; G294-E297 PolarHBondContact O-N 2.82Å
295	A	95.3	Very high	98	Very high	38 Å²	38	22.8 Å²	22.8	31%	0.314	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	144.8	168.7	0	0	0	0	0	110.8	H136 N138 E297	H136-A295 CarbonylContact O-C 3.59Å; H136-A295 WeakPolarHBondContact O-CA 3.23Å; N138-A295 HydrophobicContact CB-CB 3.86Å; A295-E297 PolarHBondContact O-N 2.8Å; A295-E297 VanDerWaalsContact O-N 3.13Å
296	N	97.5	Very high	98	Very high	27 Å²	27	22.8 Å²	22.8	14%	0.144	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	17.4	176.6	-57.6	-21.6	0	0	0	114.5	H136 M334 L335 N336	H136-N296 PolarHBondContact O-N 3Å; H136-N296 PolarHBondContact O-OD1 2.84Å; N296-M334 WeakPolarHBondContact CB-O 3.33Å; N296-M334 PolarHBondContact ND2-O 2.95Å; N296-M334 VanDerWaalsContact OD1-CE 3.24Å; N296-M334 WeakPolarHBondContact OD1-CE 3.41Å; N296-L335 WeakPolarHBondContact O-CA 3.48Å; N296-N336 HydrophobicContact CB-CB 4.41Å; N296-N336 PolarHBondContact O-N 2.81Å
297	E	97.4	Very high	98.1	Very high	22 Å²	22	18.4 Å²	18.4	10%	0.103	10%	0.103	C	C	.	.			trans	-101.4	121.3	176.9	-175.1	149.5	-129.4	0	0	110.8	G294 A295 H299 K345	G294-E297 WeakPolarHBondContact O-CB 3.42Å; G294-E297 PolarHBondContact O-N 2.82Å; A295-E297 PolarHBondContact O-N 2.8Å; A295-E297 VanDerWaalsContact O-N 3.13Å; E297-H299 PolarHBondContact O-ND1 3.43Å; E297-K345 IonicContact OE1-NZ 2.82Å; E297-K345 PolarHBondContact OE1-NZ 2.81Å
298	P	98.4	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.			trans	-75.9	132.4	179.6	30.7	-31.5	0	0	0	110.9	Q134 G174 F175 L280 L335	Q134-P298 CarbonylContact O-C 3.51Å; Q134-P298 VanDerWaalsContact O-CA 3.31Å; Q134-P298 WeakPolarHBondContact O-CA 3.37Å; G174-P298 PolarHBondContact N-O 3.18Å; F175-P298 HydrophobicContact CD2-CG 4.2Å; F175-P298 HydrophobicContact CE2-CG 3.8Å; F175-P298 HydrophobicContact CZ-CG 4.04Å; L280-P298 HydrophobicContact CD1-CB 4.31Å; L280-P298 HydrophobicContact CD2-CB 3.99Å; L280-P298 HydrophobicContact CD2-CG 3.51Å; P298-L335 HydrophobicContact CB-CD1 4.3Å; P298-L335 HydrophobicContact CB-CD2 4.04Å; P298-L335 HydrophobicContact CG-CD1 4.26Å; P298-L335 HydrophobicContact CG-CD2 4.22Å
299	H	98.8	Very high	98.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	164.8	-177.5	60.6	-88	0	0	0	112.2	I133 Q134 H136 E161 L172 L293 E297	I133-H299 CarbonylContact C-O 3.48Å; I133-H299 WeakPolarHBondContact CA-O 3.4Å; Q134-H299 VanDerWaalsContact CG-NE2 3.28Å; Q134-H299 WeakPolarHBondContact CG-NE2 3.27Å; Q134-H299 PolarHBondContact N-O 3.46Å; Q134-H299 PolarHBondContact NE2-NE2 2.92Å; Q134-H299 VanDerWaalsContact NE2-NE2 3.12Å; Q134-H299 PolarHBondContact O-N 3.07Å; Q134-H299 PolarHBondContact O-ND1 3.3Å; H136-H299 AromaticContact CD2-CE1 3.48Å; H136-H299 PolarHBondContact CD2-CE1 2.76Å; H136-H299 VanDerWaalsContact CD2-CE1 3.48Å; H136-H299 AromaticContact CD2-NE2 3.95Å; H136-H299 AromaticContact NE2-CE1 3.41Å; H136-H299 PolarHBondContact NE2-CE1 2.98Å; H136-H299 AromaticContact NE2-NE2 3.43Å; H136-H299 PolarHBondContact NE2-NE2 3.48Å; E161-H299 IonicContact OE2-CE1 3.87Å; E161-H299 IonicContact OE2-NE2 3.45Å; E161-H299 PolarHBondContact OE2-NE2 3.2Å; L172-H299 CarbonylContact O-C 3.56Å; L172-H299 WeakPolarHBondContact O-CA 3.45Å; L172-H299 WeakPolarHBondContact O-CB 3.49Å; L293-H299 VanDerWaalsContact CD1-CD2 3.43Å; L293-H299 WeakPolarHBondContact CD1-CD2 3.29Å; L293-H299 HydrophobicContact CD2-CB 3.61Å; E297-H299 PolarHBondContact O-ND1 3.43Å
300	A	98.6	Very high	98.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	142.9	173	0	0	0	0	0	110.3	I133 G171 L172 I302	I133-A300 HydrophobicContact CB-CB 4.4Å; I133-A300 HydrophobicContact CG1-CB 3.96Å; G171-A300 CarbonylContact C-O 3.6Å; G171-A300 WeakPolarHBondContact CA-O 3.5Å; L172-A300 HydrophobicContact CB-CB 4.24Å; L172-A300 HydrophobicContact CD1-CB 4.24Å; L172-A300 HydrophobicContact CG-CB 4.47Å; L172-A300 PolarHBondContact N-O 2.67Å; L172-A300 PolarHBondContact O-N 2.94Å; A300-I302 HydrophobicContact CB-CD1 4.19Å
301	Y	98.8	Very high	98.1	Very high	4 Å²	4	11.2 Å²	11.2	2%	0.016	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	132.6	167.7	-54.2	-31.3	0	0	0	110.2	L125 A130 L131 A163 F169 M291 L293 E308	L125-Y301 HydrophobicContact CD2-CD2 3.59Å; L125-Y301 HydrophobicContact CD2-CE2 3.47Å; L125-Y301 VanDerWaalsContact CD2-CE2 3.47Å; A130-Y301 CarbonylContact C-O 3.55Å; A130-Y301 WeakPolarHBondContact CA-O 3.38Å; L131-Y301 HydrophobicContact CD2-CD2 4.09Å; L131-Y301 PolarHBondContact N-O 2.76Å; A163-Y301 HydrophobicContact CB-CE1 4.02Å; F169-Y301 AromaticContact CE1-CD1 3.66Å; F169-Y301 HydrophobicContact CE1-CD1 3.66Å; F169-Y301 HydrophobicContact CE1-CE1 4.17Å; F169-Y301 HydrophobicContact CE1-CG 4.07Å; F169-Y301 AromaticContact CZ-CD1 3.62Å; F169-Y301 HydrophobicContact CZ-CD1 3.62Å; F169-Y301 HydrophobicContact CZ-CD2 4.07Å; F169-Y301 HydrophobicContact CZ-CE1 4.23Å; F169-Y301 AromaticContact CZ-CG 3.52Å; F169-Y301 HydrophobicContact CZ-CG 3.52Å; M291-Y301 HydrophobicContact CE-CD1 3.64Å; M291-Y301 HydrophobicContact CE-CE1 3.42Å; M291-Y301 VanDerWaalsContact CE-CE1 3.42Å; L293-Y301 HydrophobicContact CD1-CE1 3.81Å; L293-Y301 WeakPolarHBondContact CD1-OH 3.44Å; Y301-E308 WeakPolarHBondContact CE2-OE1 3.2Å; Y301-E308 PolarHBondContact OH-OE1 3.4Å
302	I	98.6	Very high	97.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-44.9	-173.7	-55.8	-51.8	0	0	0	111.3	A130 Q170 L172 L260 L264 A300	A130-I302 HydrophobicContact CB-CD1 3.69Å; A130-I302 HydrophobicContact CB-CG2 4.47Å; Q170-I302 HydrophobicContact CB-CB 4.02Å; Q170-I302 HydrophobicContact CB-CG2 4.47Å; Q170-I302 WeakPolarHBondContact O-CA 3.41Å; Q170-I302 WeakPolarHBondContact O-CB 3.19Å; Q170-I302 PolarHBondContact O-N 2.95Å; L172-I302 HydrophobicContact CD1-CD1 4.23Å; L172-I302 HydrophobicContact CG-CD1 4.09Å; L172-I302 HydrophobicContact CG-CG1 4.3Å; L260-I302 HydrophobicContact CD1-CG2 4.17Å; L264-I302 HydrophobicContact CD2-CD1 4.18Å; A300-I302 HydrophobicContact CB-CD1 4.19Å
303	Y	98.8	Very high	97.7	Very high	83 Å²	83	11.1 Å²	11.1	33%	0.325	6%	0.064	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	149.1	-174.7	-174.4	-107.4	0	0	0	113.3	V127 F169 Q170 R263	V127-Y303 WeakPolarHBondContact O-CD2 3.44Å; F169-Y303 CarbonylContact C-O 3.59Å; F169-Y303 WeakPolarHBondContact CA-O 3.5Å; Q170-Y303 PolarHBondContact N-O 2.82Å; Q170-Y303 PolarHBondContact O-N 2.79Å; R263-Y303 VanDerWaalsContact NH2-CB 3.28Å; R263-Y303 VanDerWaalsContact NH2-CG 3.28Å
304	G	98.8	Very high	97.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	110.7	-179.9	172.8	0	0	0	0	0	112.2	V127	V127-G304 WeakPolarHBondContact CB-O 3.22Å; V127-G304 PolarHBondContact N-O 2.95Å; V127-G304 PolarHBondContact O-N 2.8Å
305	D	98.9	Very high	97.5	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.016	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.9	179.9	-48.4	-47.3	0	0	0	110.1	K44 E50 L125 S126 L166 T167	K44-D305 VanDerWaalsContact CE-OD1 3.27Å; K44-D305 WeakPolarHBondContact CE-OD1 3.23Å; K44-D305 IonicContact NZ-OD1 2.67Å; K44-D305 PolarHBondContact NZ-OD1 2.76Å; K44-D305 IonicContact NZ-OD2 2.65Å; K44-D305 PolarHBondContact NZ-OD2 2.94Å; E50-D305 HydrophobicContact CB-CB 3.74Å; E50-D305 HydrophobicContact CG-CB 4.24Å; L125-D305 VanDerWaalsContact O-CA 3.27Å; L125-D305 WeakPolarHBondContact O-CA 3.45Å; S126-D305 VanDerWaalsContact CA-OD1 3.23Å; S126-D305 WeakPolarHBondContact CA-OD1 3.46Å; S126-D305 VanDerWaalsContact CB-OD1 3.29Å; S126-D305 WeakPolarHBondContact CB-OD1 3.23Å; S126-D305 PolarHBondContact OG-OD1 3.32Å; L166-D305 HydrophobicContact CB-CB 4.22Å; L166-D305 PolarHBondContact N-O 2.54Å; T167-D305 HydrophobicContact CG2-CB 4.07Å; T167-D305 WeakPolarHBondContact CG2-OD2 3.25Å; T167-D305 PolarHBondContact N-O 2.98Å; T167-D305 PolarHBondContact OG1-N 3.37Å
306	C	98.9	Very high	97.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	156.5	177.9	68.2	0	0	0	0	112	V124 L125 I164 F169	V124-C306 CarbonylContact C-O 3.43Å; V124-C306 WeakPolarHBondContact CA-O 3.38Å; L125-C306 PolarHBondContact N-O 2.86Å; L125-C306 PolarHBondContact O-N 3.1Å; I164-C306 CarbonylContact O-C 3.57Å; I164-C306 WeakPolarHBondContact O-CA 3.31Å; I164-C306 VanDerWaalsContact O-CB 3.25Å; I164-C306 WeakPolarHBondContact O-CB 3.19Å; F169-C306 HydrophobicContact CD2-CB 3.82Å; F169-C306 HydrophobicContact CE2-CB 3.76Å; F169-C306 WeakPolarHBondContact CE2-SG 3.41Å; F169-C306 HydrophobicContact CG-CB 4.26Å; F169-C306 HydrophobicContact CZ-CB 4.13Å; F169-C306 VanDerWaalsContact CZ-SG 3.58Å
307	I	98.9	Very high	97.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136.3	155.7	-66.1	-73.8	0	0	0	107.3	F122 K123 V124 A163 I164 L166 L394 I396 F440	F122-I307 HydrophobicContact CD2-CG2 4.22Å; F122-I307 HydrophobicContact CE2-CG2 3.2Å; F122-I307 HydrophobicContact CZ-CD1 4Å; F122-I307 HydrophobicContact CZ-CG2 3.66Å; K123-I307 WeakPolarHBondContact O-CA 3.36Å; V124-I307 HydrophobicContact CG2-CD1 3.88Å; A163-I307 CarbonylContact C-O 3.49Å; A163-I307 WeakPolarHBondContact CA-O 3.27Å; I164-I307 HydrophobicContact CB-CB 4.19Å; I164-I307 HydrophobicContact CD1-CG2 4.38Å; I164-I307 PolarHBondContact N-O 3.1Å; I164-I307 PolarHBondContact O-N 2.9Å; L166-I307 HydrophobicContact CD1-CD1 4.33Å; L166-I307 HydrophobicContact CD1-CG1 4.13Å; L166-I307 HydrophobicContact CD2-CD1 4.48Å; L166-I307 HydrophobicContact CD2-CG1 3.83Å; L166-I307 HydrophobicContact CG-CG1 4.01Å; I307-L394 HydrophobicContact CD1-CD2 3.81Å; I307-I396 HydrophobicContact CD1-CD1 4.28Å; I307-F440 HydrophobicContact CD1-CB 4.28Å; I307-F440 HydrophobicContact CD1-CD2 4.01Å; I307-F440 HydrophobicContact CD1-CE2 4.48Å; I307-F440 HydrophobicContact CD1-CG 4.05Å; I307-F440 HydrophobicContact CG1-CD1 4.06Å; I307-F440 HydrophobicContact CG1-CD2 3.94Å; I307-F440 HydrophobicContact CG1-CE1 4.11Å; I307-F440 HydrophobicContact CG1-CE2 3.99Å; I307-F440 HydrophobicContact CG1-CG 3.96Å; I307-F440 HydrophobicContact CG1-CZ 4.07Å; I307-F440 HydrophobicContact CG2-CD1 4.4Å
308	E	98.8	Very high	97.6	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.019	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.9	168.5	178.6	178.8	-97.6	0	0	110.2	F122 K123 L125 M162 Y301	F122-E308 WeakPolarHBondContact CD2-O 3.37Å; K123-E308 HydrophobicContact CB-CB 4.3Å; K123-E308 WeakPolarHBondContact CD-OE2 3.27Å; K123-E308 PolarHBondContact N-O 2.79Å; K123-E308 IonicContact NZ-OE2 3.9Å; K123-E308 PolarHBondContact NZ-OE2 3.3Å; K123-E308 PolarHBondContact O-N 3.1Å; L125-E308 HydrophobicContact CD1-CB 3.51Å; L125-E308 HydrophobicContact CD1-CG 4.35Å; M162-E308 CarbonylContact O-C 3.17Å; M162-E308 VanDerWaalsContact O-CA 3.23Å; M162-E308 WeakPolarHBondContact O-CA 3.3Å; Y301-E308 WeakPolarHBondContact CE2-OE1 3.2Å; Y301-E308 PolarHBondContact OH-OE1 3.4Å
309	C	98.8	Very high	97.5	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.007	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137	164.3	-159.2	0	0	0	0	108.9	F122 E161 M162 F368 V370	F122-C309 HydrophobicContact CD2-CB 4.05Å; E161-C309 CarbonylContact C-O 3.53Å; E161-C309 WeakPolarHBondContact CA-O 3.24Å; M162-C309 PolarHBondContact N-O 3.47Å; M162-C309 PolarHBondContact O-N 2.97Å; C309-F368 HydrophobicContact CB-CD2 3.74Å; C309-F368 HydrophobicContact CB-CE2 3.92Å; C309-F368 HydrophobicContact CB-CG 4.18Å; C309-F368 VanDerWaalsContact O-CZ 3.24Å; C309-F368 WeakPolarHBondContact O-CZ 3.4Å; C309-F368 VanDerWaalsContact SG-CG 3.57Å; C309-V370 HydrophobicContact CB-CG2 3.52Å
310	M	98.3	Very high	97.5	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.01	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	153.9	-175.5	55.5	170.9	-80.9	0	0	111	F120 L121 K123 K159 P160 E161 S313	F120-M310 CarbonylContact C-O 3.35Å; F120-M310 WeakPolarHBondContact CA-O 3.25Å; F120-M310 WeakPolarHBondContact CB-O 3.41Å; L121-M310 HydrophobicContact CB-CG 4.11Å; L121-M310 PolarHBondContact N-O 3.4Å; L121-M310 PolarHBondContact O-N 3.44Å; L121-M310 VanDerWaalsContact O-N 3.14Å; K123-M310 VanDerWaalsContact CE-SD 3.58Å; K123-M310 PolarHBondContact NZ-SD 3.42Å; K159-M310 HydrophobicContact CD-CE 3.9Å; K159-M310 HydrophobicContact CG-CE 3.86Å; P160-M310 VanDerWaalsContact O-CA 3.27Å; P160-M310 WeakPolarHBondContact O-CA 3.24Å; E161-M310 HydrophobicContact CB-CB 4.14Å; E161-M310 HydrophobicContact CG-CB 3.74Å; M310-S313 VanDerWaalsContact CE-O 3.23Å; M310-S313 WeakPolarHBondContact CE-O 3.39Å
311	A	97.6	Very high	97.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	151.8	166.1	0	0	0	0	0	110.8	P119 P160 S313 D367	P119-A311 WeakPolarHBondContact O-CA 3.17Å; P160-A311 HydrophobicContact CG-CB 3.84Å; P160-A311 PolarHBondContact O-N 2.81Å; P160-A311 VanDerWaalsContact O-N 3.07Å; A311-S313 PolarHBondContact O-N 3.16Å; A311-D367 HydrophobicContact CB-CB 3.99Å; A311-D367 VanDerWaalsContact CB-OD1 3.25Å; A311-D367 WeakPolarHBondContact CB-OD1 3.29Å
312	C	94.6	Very high	97.3	Very high	35 Å²	35	12.7 Å²	12.7	24%	0.236	6%	0.062	C	C	.	.	S	Bend	trans	-70.3	94.2	176.9	-69.4	0	0	0	0	111.5	L118 P119 N157	L118-C312 PolarHBondContact O-SG 2.86Å; L118-C312 VanDerWaalsContact O-SG 3.38Å; P119-C312 PolarHBondContact O-N 3.16Å; N157-C312 PolarHBondContact ND2-O 3.45Å; N157-C312 VanDerWaalsContact ND2-O 3.11Å
313	S	94.6	Very high	97	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.014	11%	0.105	C	C	.	.			trans	-157.3	150.8	172.5	178.6	0	0	0	0	111.5	D155 N157 H158 K159 M310 A311 N315	D155-S313 VanDerWaalsContact CG-OG 3.29Å; D155-S313 WeakPolarHBondContact OD1-CB 3.42Å; D155-S313 PolarHBondContact OD1-OG 2.79Å; D155-S313 PolarHBondContact OD2-OG 2.95Å; N157-S313 PolarHBondContact O-OG 3.46Å; H158-S313 WeakPolarHBondContact O-CB 3.44Å; K159-S313 VanDerWaalsContact CD-O 3.25Å; K159-S313 WeakPolarHBondContact CD-O 3.49Å; K159-S313 WeakPolarHBondContact CE-O 3.35Å; K159-S313 PolarHBondContact NZ-O 2.92Å; M310-S313 VanDerWaalsContact CE-O 3.23Å; M310-S313 WeakPolarHBondContact CE-O 3.39Å; A311-S313 PolarHBondContact O-N 3.16Å; S313-N315 WeakPolarHBondContact OG-CB 3.34Å; S313-N315 PolarHBondContact OG-N 3.37Å; S313-N315 VanDerWaalsContact OG-N 3.15Å
314	D	93.2	Very high	96.7	Very high	43 Å²	43	26.7 Å²	26.7	23%	0.23	12%	0.118	C	C	.	.			trans	-108.4	2.4	173.5	-84	-31.5	0	0	0	112.6	H78 K80 P154 D155 T316	H78-D314 IonicContact CE1-OD2 3.42Å; H78-D314 IonicContact NE2-OD2 3.5Å; K80-D314 IonicContact NZ-OD2 2.72Å; K80-D314 PolarHBondContact NZ-OD2 3.41Å; P154-D314 HydrophobicContact CG-CB 3.56Å; D155-D314 PolarHBondContact OD2-N 2.82Å; D314-T316 PolarHBondContact O-N 3.22Å; D314-T316 PolarHBondContact O-OG1 3.48Å
315	N	94.9	Very high	96.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	14%	0.144	C	C	.	.			trans	-63.1	118.4	179	-75.4	-30.7	0	0	0	112.2	H136 P137 Y153 P154 D155 N157 S313	H136-N315 PolarHBondContact ND1-O 2.96Å; P137-N315 HydrophobicContact CG-CB 4.08Å; Y153-N315 WeakPolarHBondContact CA-OD1 3.45Å; Y153-N315 WeakPolarHBondContact CB-OD1 3.47Å; P154-N315 WeakPolarHBondContact CD-OD1 3.2Å; D155-N315 PolarHBondContact O-ND2 2.72Å; D155-N315 PolarHBondContact O-OD1 3.03Å; D155-N315 PolarHBondContact OD1-ND2 2.89Å; D155-N315 VanDerWaalsContact OD1-ND2 3.15Å; N157-N315 PolarHBondContact O-ND2 2.87Å; S313-N315 WeakPolarHBondContact OG-CB 3.34Å; S313-N315 PolarHBondContact OG-N 3.37Å; S313-N315 VanDerWaalsContact OG-N 3.15Å
316	T	95.8	Very high	96.1	Very high	19 Å²	19	35 Å²	35	12%	0.117	15%	0.153	C	C	.	.			trans	-144.1	115	-176.3	-51.8	0	0	0	0	111	Q134 D314 R318	Q134-T316 HydrophobicContact CB-CG2 3.69Å; Q134-T316 HydrophobicContact CG-CG2 4.38Å; Q134-T316 VanDerWaalsContact OE1-CG2 3.24Å; D314-T316 PolarHBondContact O-N 3.22Å; D314-T316 PolarHBondContact O-OG1 3.48Å; T316-R318 HydrophobicContact CG2-CG 4.15Å
317	V	97.5	Very high	95.9	Very high	2 Å²	2	36 Å²	36	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.6	170.6	-176.1	0	0	0	0	108.5	Q134 A135 Y153 T330 L331 M334	Q134-V317 CarbonylContact C-O 3.28Å; Q134-V317 WeakPolarHBondContact CA-O 3.28Å; A135-V317 PolarHBondContact N-O 3.11Å; A135-V317 PolarHBondContact O-N 2.97Å; Y153-V317 HydrophobicContact CE1-CG2 3.63Å; V317-T330 HydrophobicContact CG2-CG2 4.18Å; V317-L331 HydrophobicContact CG1-CB 3.63Å; V317-L331 HydrophobicContact CG1-CD1 3.94Å; V317-L331 HydrophobicContact CG1-CG 4.39Å; V317-M334 HydrophobicContact CB-SD 3.71Å; V317-M334 HydrophobicContact CG1-SD 3.94Å; V317-M334 HydrophobicContact CG2-CE 4.28Å; V317-M334 HydrophobicContact CG2-SD 3.53Å; V317-M334 VanDerWaalsContact CG2-SD 3.53Å
318	R	97.9	Very high	95.8	Very high	51 Å²	51	37.9 Å²	37.9	19%	0.192	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	152.9	-174.3	-61.8	-177	-174.3	78.6	13.1	111.7	I133 T316 T322 I326	I133-R318 CarbonylContact O-C 3.56Å; I133-R318 VanDerWaalsContact O-CA 3.3Å; I133-R318 WeakPolarHBondContact O-CA 3.33Å; T316-R318 HydrophobicContact CG2-CG 4.15Å; R318-T322 HydrophobicContact CB-CG2 4.11Å; R318-I326 HydrophobicContact CB-CG1 4.29Å; R318-I326 WeakPolarHBondContact O-CG2 3.28Å
319	A	97.3	Very high	95.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	2.5	-179.4	0	0	0	0	0	114.1	I133 F221 M225 L331	I133-A319 HydrophobicContact CB-CB 4.01Å; I133-A319 HydrophobicContact CG2-CB 3.78Å; I133-A319 PolarHBondContact O-N 2.97Å; F221-A319 HydrophobicContact CZ-CB 4.5Å; M225-A319 VanDerWaalsContact CE-O 3.32Å; M225-A319 WeakPolarHBondContact CE-O 3.12Å; A319-L331 HydrophobicContact CB-CD1 3.92Å; A319-L331 HydrophobicContact CB-CD2 3.48Å; A319-L331 VanDerWaalsContact CB-CD2 3.48Å; A319-L331 HydrophobicContact CB-CG 4.34Å
320	G	97.4	Very high	95.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.6	-174.4	-179.6	0	0	0	0	0	112.2	S132 I133 D271 T322	S132-G320 WeakPolarHBondContact CA-O 3.5Å; I133-G320 PolarHBondContact N-O 2.86Å; D271-G320 WeakPolarHBondContact OD1-CA 3.42Å; G320-T322 PolarHBondContact O-N 3.38Å
321	L	97.8	Very high	95.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	20%	0.204	C	C	.	.	S	Bend	trans	51.9	45	-172.9	-51.7	-178.8	0	0	0	110.9	A130 S132 I133 L264 Y268 D271	A130-L321 HydrophobicContact CB-CD1 4.11Å; S132-L321 VanDerWaalsContact CA-O 3.3Å; S132-L321 WeakPolarHBondContact CA-O 3.25Å; I133-L321 HydrophobicContact CD1-CD1 4.05Å; I133-L321 HydrophobicContact CD1-CG 4.04Å; I133-L321 HydrophobicContact CG1-CB 4.41Å; I133-L321 HydrophobicContact CG1-CD1 3.72Å; I133-L321 HydrophobicContact CG1-CG 3.87Å; L264-L321 HydrophobicContact CB-CD2 4.28Å; L264-L321 HydrophobicContact CD1-CD1 4.16Å; L264-L321 HydrophobicContact CD1-CD2 4.45Å; L264-L321 HydrophobicContact CD2-CD1 3.95Å; Y268-L321 HydrophobicContact CD2-CB 3.95Å; Y268-L321 HydrophobicContact CD2-CD2 3.9Å; Y268-L321 HydrophobicContact CD2-CG 4.44Å; Y268-L321 VanDerWaalsContact CE1-C 3.42Å; Y268-L321 WeakPolarHBondContact CE1-O 3.3Å; Y268-L321 HydrophobicContact CE2-CB 3.97Å; Y268-L321 HydrophobicContact CG-CB 4.24Å; Y268-L321 HydrophobicContact CG-CD2 4.18Å; D271-L321 PolarHBondContact OD1-N 2.9Å; D271-L321 WeakPolarHBondContact OD2-CA 3.14Å; D271-L321 PolarHBondContact OD2-N 2.8Å
322	T	96.2	Very high	95.7	Very high	20 Å²	20	44.3 Å²	44.3	12%	0.123	21%	0.205	C	C	.	.			trans	-155.7	147	-172	-163.5	0	0	0	0	112.5	D271 R318 G320 K324 I326	D271-T322 PolarHBondContact OD2-N 3.21Å; R318-T322 HydrophobicContact CB-CG2 4.11Å; G320-T322 PolarHBondContact O-N 3.38Å; T322-K324 PolarHBondContact OG1-N 3.26Å; T322-I326 HydrophobicContact CG2-CD1 3.97Å; T322-I326 HydrophobicContact CG2-CG1 3.9Å
323	R	92.5	Very high	95.8	Very high	240 Å²	240	48 Å²	48	91%	0.906	22%	0.219	S	C	*	.	S	Bend	trans	-92.2	-4.7	168.9	-58.4	-179	-173.7	173.8	2.2	112.6
324	K	92.3	Very high	96	Very high	138 Å²	138	48.6 Å²	48.6	60%	0.6	22%	0.222	S	C	*	.	S	Bend	trans	-84.2	168	-177.8	-63.2	-176.1	178.7	-179.1	0	110.7	T322	T322-K324 PolarHBondContact OG1-N 3.26Å
325	Y	89.8	Confident	96.2	Very high	135 Å²	135	46.9 Å²	46.9	53%	0.529	21%	0.213	S	C	.	.			trans	-55.7	140.9	174.9	176.3	-111.4	0	0	0	112.3	D327	Y325-D327 HydrophobicContact CE1-CB 3.71Å
326	I	94.9	Very high	96.3	Very high	42 Å²	42	49.3 Å²	49.3	22%	0.215	23%	0.225	C	C	.	.			trans	-121.7	110.9	177.7	-62.5	179.9	0	0	0	106.9	M225 R318 T322 V328	M225-I326 HydrophobicContact CE-CG2 4.22Å; R318-I326 HydrophobicContact CB-CG1 4.29Å; R318-I326 WeakPolarHBondContact O-CG2 3.28Å; T322-I326 HydrophobicContact CG2-CD1 3.97Å; T322-I326 HydrophobicContact CG2-CG1 3.9Å; I326-V328 HydrophobicContact CG2-CG2 3.68Å; I326-V328 PolarHBondContact O-N 3.31Å; I326-V328 VanDerWaalsContact O-N 3.14Å
327	D	95.3	Very high	96.4	Very high	21 Å²	21	49 Å²	49	11%	0.112	22%	0.223	C	C	.	.			trans	-83.1	82.4	172.6	-173.1	-13.2	0	0	0	109.4	Y153 Y325 N329 T330 L331	Y153-D327 PolarHBondContact OH-OD2 2.83Å; Y325-D327 HydrophobicContact CE1-CB 3.71Å; D327-N329 PolarHBondContact O-N 2.74Å; D327-T330 PolarHBondContact O-N 2.79Å; D327-T330 WeakPolarHBondContact OD1-CB 3.5Å; D327-T330 PolarHBondContact OD1-N 3.24Å; D327-T330 VanDerWaalsContact OD1-N 3.09Å; D327-T330 PolarHBondContact OD1-OG1 3.46Å; D327-T330 WeakPolarHBondContact OD2-CB 3.31Å; D327-T330 PolarHBondContact OD2-OG1 2.89Å; D327-L331 WeakPolarHBondContact O-CB 3.41Å; D327-L331 PolarHBondContact O-N 3.11Å
328	V	96.9	Very high	96.4	Very high	40 Å²	40	55.1 Å²	55.1	24%	0.242	25%	0.249	C	C	.	.	H	α-helix	trans	-59.4	-36.6	-174.4	173.8	0	0	0	0	112.1	M225 I326 C332	M225-V328 HydrophobicContact CB-CG1 3.86Å; I326-V328 HydrophobicContact CG2-CG2 3.68Å; I326-V328 PolarHBondContact O-N 3.31Å; I326-V328 VanDerWaalsContact O-N 3.14Å; V328-C332 WeakPolarHBondContact O-CB 3.43Å; V328-C332 PolarHBondContact O-N 3.38Å; V328-C332 PolarHBondContact O-SG 2.86Å
329	N	96.6	Very high	96.4	Very high	118 Å²	118	54.8 Å²	54.8	63%	0.631	25%	0.253	S	S	*	.	H	α-helix	trans	-69.3	-54.4	-177.8	-173.4	46.8	0	0	0	110.8	D327 L331 C332 E333	D327-N329 PolarHBondContact O-N 2.74Å; N329-L331 VanDerWaalsContact C-N 3.28Å; N329-L331 PolarHBondContact O-N 3.22Å; N329-C332 PolarHBondContact O-N 3.28Å; N329-E333 WeakPolarHBondContact O-CB 3.44Å; N329-E333 WeakPolarHBondContact O-CG 3.34Å; N329-E333 PolarHBondContact O-N 2.95Å
330	T	97.3	Very high	96.4	Very high	20 Å²	20	56.2 Å²	56.2	12%	0.123	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-43.2	177.3	-59.7	0	0	0	0	110.7	L145 V317 D327 E333 M334	L145-T330 HydrophobicContact CD1-CG2 3.82Å; L145-T330 HydrophobicContact CD2-CG2 3.89Å; L145-T330 HydrophobicContact CG-CG2 4.5Å; V317-T330 HydrophobicContact CG2-CG2 4.18Å; D327-T330 PolarHBondContact O-N 2.79Å; D327-T330 WeakPolarHBondContact OD1-CB 3.5Å; D327-T330 PolarHBondContact OD1-N 3.24Å; D327-T330 VanDerWaalsContact OD1-N 3.09Å; D327-T330 PolarHBondContact OD1-OG1 3.46Å; D327-T330 WeakPolarHBondContact OD2-CB 3.31Å; D327-T330 PolarHBondContact OD2-OG1 2.89Å; T330-E333 PolarHBondContact O-N 3.28Å; T330-M334 HydrophobicContact CG2-SD 4.21Å; T330-M334 VanDerWaalsContact O-CB 3.29Å; T330-M334 WeakPolarHBondContact O-CB 3.36Å; T330-M334 WeakPolarHBondContact O-CG 3.41Å; T330-M334 PolarHBondContact O-N 2.85Å
331	L	98	Very high	96.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-54.6	-58.8	175.2	177.7	71	0	0	0	111.1	F221 M225 V317 A319 D327 N329 E333 M334 L335	F221-L331 HydrophobicContact CE1-CD2 3.99Å; F221-L331 HydrophobicContact CE1-CG 4.3Å; F221-L331 HydrophobicContact CZ-CD2 4.43Å; M225-L331 HydrophobicContact CE-CD2 3.87Å; M225-L331 HydrophobicContact CG-CD2 4.44Å; V317-L331 HydrophobicContact CG1-CB 3.63Å; V317-L331 HydrophobicContact CG1-CD1 3.94Å; V317-L331 HydrophobicContact CG1-CG 4.39Å; A319-L331 HydrophobicContact CB-CD1 3.92Å; A319-L331 HydrophobicContact CB-CD2 3.48Å; A319-L331 VanDerWaalsContact CB-CD2 3.48Å; A319-L331 HydrophobicContact CB-CG 4.34Å; D327-L331 WeakPolarHBondContact O-CB 3.41Å; D327-L331 PolarHBondContact O-N 3.11Å; N329-L331 VanDerWaalsContact C-N 3.28Å; N329-L331 PolarHBondContact O-N 3.22Å; L331-E333 PolarHBondContact O-N 2.96Å; L331-M334 WeakPolarHBondContact O-CG 3.29Å; L331-M334 PolarHBondContact O-N 3.15Å; L331-L335 HydrophobicContact CD1-CD1 4.06Å; L331-L335 HydrophobicContact CD1-CD2 4.07Å; L331-L335 HydrophobicContact CD1-CG 4.16Å; L331-L335 HydrophobicContact CG-CD1 4.31Å; L331-L335 VanDerWaalsContact O-CG 3.31Å; L331-L335 WeakPolarHBondContact O-CG 3.18Å; L331-L335 PolarHBondContact O-N 2.82Å
332	C	98.1	Very high	96.4	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.02	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-29.9	-173.6	-68.8	0	0	0	0	112.6	K218 T222 V328 N329 Y337	K218-C332 VanDerWaalsContact CE-O 3.29Å; K218-C332 WeakPolarHBondContact CE-O 3.41Å; T222-C332 HydrophobicContact CG2-CB 4.37Å; T222-C332 WeakPolarHBondContact OG1-CB 3.35Å; V328-C332 WeakPolarHBondContact O-CB 3.43Å; V328-C332 PolarHBondContact O-N 3.38Å; V328-C332 PolarHBondContact O-SG 2.86Å; N329-C332 PolarHBondContact O-N 3.28Å; C332-Y337 WeakPolarHBondContact CA-OH 3.38Å; C332-Y337 VanDerWaalsContact O-CE2 3.24Å; C332-Y337 WeakPolarHBondContact O-CE2 3.47Å; C332-Y337 PolarHBondContact O-OH 2.83Å
333	E	98	Very high	96.4	Very high	113 Å²	113	63 Å²	63	53%	0.528	32%	0.315	S	S	.	.	H	α-helix	trans	-76.4	-37.7	178.1	-72.7	-56.7	128.1	0	0	113.1	K218 N329 T330 L331	K218-E333 VanDerWaalsContact CE-OE1 3.22Å; K218-E333 WeakPolarHBondContact CE-OE1 3.44Å; K218-E333 IonicContact NZ-OE1 3.34Å; K218-E333 PolarHBondContact NZ-OE1 2.63Å; K218-E333 IonicContact NZ-OE2 3.58Å; K218-E333 PolarHBondContact NZ-OE2 3.05Å; N329-E333 WeakPolarHBondContact O-CB 3.44Å; N329-E333 WeakPolarHBondContact O-CG 3.34Å; N329-E333 PolarHBondContact O-N 2.95Å; T330-E333 PolarHBondContact O-N 3.28Å; L331-E333 PolarHBondContact O-N 2.96Å
334	M	97.7	Very high	96.6	Very high	14 Å²	14	54.9 Å²	54.9	7%	0.069	30%	0.295	C	S	.	.	H	α-helix	trans	-80.5	-31.2	-171.5	73.2	-175.8	-71.9	0	0	114.3	A135 H136 P137 L141 N296 V317 T330 L331	A135-M334 HydrophobicContact CB-CE 4.39Å; H136-M334 VanDerWaalsContact C-CE 3.45Å; P137-M334 HydrophobicContact CB-CE 3.86Å; P137-M334 VanDerWaalsContact N-CE 3.29Å; L141-M334 HydrophobicContact CD2-CB 3.54Å; L141-M334 HydrophobicContact CD2-CE 4.31Å; N296-M334 WeakPolarHBondContact CB-O 3.33Å; N296-M334 PolarHBondContact ND2-O 2.95Å; N296-M334 VanDerWaalsContact OD1-CE 3.24Å; N296-M334 WeakPolarHBondContact OD1-CE 3.41Å; V317-M334 HydrophobicContact CB-SD 3.71Å; V317-M334 HydrophobicContact CG1-SD 3.94Å; V317-M334 HydrophobicContact CG2-CE 4.28Å; V317-M334 HydrophobicContact CG2-SD 3.53Å; V317-M334 VanDerWaalsContact CG2-SD 3.53Å; T330-M334 HydrophobicContact CG2-SD 4.21Å; T330-M334 VanDerWaalsContact O-CB 3.29Å; T330-M334 WeakPolarHBondContact O-CB 3.36Å; T330-M334 WeakPolarHBondContact O-CG 3.41Å; T330-M334 PolarHBondContact O-N 2.85Å; L331-M334 WeakPolarHBondContact O-CG 3.29Å; L331-M334 PolarHBondContact O-N 3.15Å
335	L	98.6	Very high	96.9	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.042	27%	0.272	C	S	.	.			trans	-60	147.7	-170.3	-65.5	179.4	0	0	0	112.4	A135 F175 F221 N296 P298 L331 Y337	A135-L335 HydrophobicContact CB-CD2 3.4Å; A135-L335 VanDerWaalsContact CB-CD2 3.4Å; F175-L335 HydrophobicContact CE2-CB 4.19Å; F175-L335 HydrophobicContact CE2-CD1 4.19Å; F175-L335 HydrophobicContact CZ-CB 4.49Å; F175-L335 HydrophobicContact CZ-CD1 3.79Å; F221-L335 HydrophobicContact CD1-CD1 4.11Å; F221-L335 HydrophobicContact CE1-CD1 3.63Å; F221-L335 HydrophobicContact CZ-CD1 4.11Å; N296-L335 WeakPolarHBondContact O-CA 3.48Å; P298-L335 HydrophobicContact CB-CD1 4.3Å; P298-L335 HydrophobicContact CB-CD2 4.04Å; P298-L335 HydrophobicContact CG-CD1 4.26Å; P298-L335 HydrophobicContact CG-CD2 4.22Å; L331-L335 HydrophobicContact CD1-CD1 4.06Å; L331-L335 HydrophobicContact CD1-CD2 4.07Å; L331-L335 HydrophobicContact CD1-CG 4.16Å; L331-L335 HydrophobicContact CG-CD1 4.31Å; L331-L335 VanDerWaalsContact O-CG 3.31Å; L331-L335 WeakPolarHBondContact O-CG 3.18Å; L331-L335 PolarHBondContact O-N 2.82Å; L335-Y337 HydrophobicContact CB-CD2 4.27Å; L335-Y337 HydrophobicContact CB-CE1 4.25Å; L335-Y337 HydrophobicContact CB-CE2 3.79Å; L335-Y337 HydrophobicContact CD1-CE1 4.48Å; L335-Y337 WeakPolarHBondContact O-CD2 3.34Å; L335-Y337 VanDerWaalsContact O-CE2 3.29Å; L335-Y337 WeakPolarHBondContact O-CE2 3.33Å; L335-Y337 PolarHBondContact O-N 3.45Å
336	N	97	Very high	97.3	Very high	50 Å²	50	46 Å²	46	27%	0.267	26%	0.262	S	S	.	.			trans	-73.7	-23.1	-173	67.5	35.1	0	0	0	114.7	N296 K338	N296-N336 HydrophobicContact CB-CB 4.41Å; N296-N336 PolarHBondContact O-N 2.81Å; N336-K338 HydrophobicContact CB-CG 4.34Å; N336-K338 WeakPolarHBondContact O-CG 3.17Å; N336-K338 PolarHBondContact O-N 2.91Å; N336-K338 PolarHBondContact OD1-N 3.16Å
337	Y	98.2	Very high	97.4	Very high	14 Å²	14	45.8 Å²	45.8	6%	0.055	26%	0.259	C	S	.	.			trans	46.6	39.2	-175.2	-58.2	-72.7	0	0	0	114.8	F175 G214 L217 K218 F221 C332 L335 P339	F175-Y337 HydrophobicContact CD2-CD1 4.31Å; F175-Y337 HydrophobicContact CE1-CD1 4.22Å; F175-Y337 HydrophobicContact CE1-CE1 4.24Å; F175-Y337 AromaticContact CE2-CD1 3.56Å; F175-Y337 HydrophobicContact CE2-CD1 3.56Å; F175-Y337 AromaticContact CE2-CE1 3.92Å; F175-Y337 HydrophobicContact CE2-CE1 3.92Å; F175-Y337 HydrophobicContact CE2-CG 4.25Å; F175-Y337 AromaticContact CZ-CD1 3.5Å; F175-Y337 HydrophobicContact CZ-CD1 3.5Å; F175-Y337 AromaticContact CZ-CE1 3.46Å; F175-Y337 HydrophobicContact CZ-CE1 3.46Å; F175-Y337 VanDerWaalsContact CZ-CE1 3.46Å; G214-Y337 WeakPolarHBondContact O-CB 3.33Å; L217-Y337 HydrophobicContact CB-CD1 4.45Å; L217-Y337 HydrophobicContact CD2-CD1 4.31Å; L217-Y337 HydrophobicContact CG-CD1 4Å; K218-Y337 HydrophobicContact CB-CD1 3.97Å; K218-Y337 HydrophobicContact CB-CD2 3.71Å; K218-Y337 HydrophobicContact CB-CE1 3.84Å; K218-Y337 HydrophobicContact CB-CE2 3.56Å; K218-Y337 HydrophobicContact CB-CG 3.89Å; K218-Y337 HydrophobicContact CD-CD2 4.15Å; K218-Y337 HydrophobicContact CD-CE2 3.64Å; K218-Y337 HydrophobicContact CG-CD2 4.12Å; K218-Y337 HydrophobicContact CG-CE1 4.28Å; K218-Y337 HydrophobicContact CG-CE2 3.51Å; F221-Y337 HydrophobicContact CB-CE1 3.99Å; F221-Y337 HydrophobicContact CD1-CE1 4.32Å; F221-Y337 HydrophobicContact CG-CE1 4.33Å; C332-Y337 WeakPolarHBondContact CA-OH 3.38Å; C332-Y337 VanDerWaalsContact O-CE2 3.24Å; C332-Y337 WeakPolarHBondContact O-CE2 3.47Å; C332-Y337 PolarHBondContact O-OH 2.83Å; L335-Y337 HydrophobicContact CB-CD2 4.27Å; L335-Y337 HydrophobicContact CB-CE1 4.25Å; L335-Y337 HydrophobicContact CB-CE2 3.79Å; L335-Y337 HydrophobicContact CD1-CE1 4.48Å; L335-Y337 WeakPolarHBondContact O-CD2 3.34Å; L335-Y337 VanDerWaalsContact O-CE2 3.29Å; L335-Y337 WeakPolarHBondContact O-CE2 3.33Å; L335-Y337 PolarHBondContact O-N 3.45Å; Y337-P339 WeakPolarHBondContact O-CD 3.2Å
338	K	96.8	Very high	97.5	Very high	129 Å²	129	49 Å²	49	56%	0.561	28%	0.282	S	S	*	.			trans	-101	92.6	175.6	-64.4	-174.3	179.9	-176	0	110	N336	N336-K338 HydrophobicContact CB-CG 4.34Å; N336-K338 WeakPolarHBondContact O-CG 3.17Å; N336-K338 PolarHBondContact O-N 2.91Å; N336-K338 PolarHBondContact OD1-N 3.16Å
339	P	97.5	Very high	97.4	Very high	44 Å²	44	50 Å²	50	29%	0.286	29%	0.29	S	S	.	.			trans	-66.4	135.5	179	28.3	-34.6	0	0	0	110.7	F175 R176 V178 T213 L217 Y337	F175-P339 HydrophobicContact CB-CB 4.4Å; F175-P339 WeakPolarHBondContact O-CA 3.47Å; R176-P339 WeakPolarHBondContact O-CB 3.5Å; V178-P339 HydrophobicContact CG2-CB 4.22Å; V178-P339 HydrophobicContact CG2-CG 3.9Å; T213-P339 HydrophobicContact CG2-CG 4.05Å; L217-P339 HydrophobicContact CD2-CB 4.41Å; L217-P339 HydrophobicContact CD2-CG 4.47Å; Y337-P339 WeakPolarHBondContact O-CD 3.2Å
340	A	97.2	Very high	97.4	Very high	30 Å²	30	48.6 Å²	48.6	25%	0.248	29%	0.285	C	S	.	.			trans	-151.1	158.6	177.9	0	0	0	0	0	110.6	F175 P177 N281 S344	F175-A340 PolarHBondContact O-N 2.93Å; F175-A340 VanDerWaalsContact O-O 3.13Å; P177-A340 WeakPolarHBondContact CD-O 3.33Å; N281-A340 PolarHBondContact ND2-O 3Å; N281-A340 PolarHBondContact OD1-O 2.66Å; A340-S344 WeakPolarHBondContact CB-OG 3.3Å
341	S	97.9	Very high	97.4	Very high	46 Å²	46	51.8 Å²	51.8	32%	0.322	31%	0.306	S	S	.	.			trans	-66.1	151.9	-178.8	65	0	0	0	0	112.1	S343 S344	S341-S343 PolarHBondContact O-N 3.04Å; S341-S343 PolarHBondContact OG-OG 2.72Å; S341-S344 PolarHBondContact O-N 3.06Å; S341-S344 PolarHBondContact O-OG 3.09Å; S341-S344 PolarHBondContact OG-N 3.45Å
342	A	97.3	Very high	97.3	Very high	33 Å²	33	53.7 Å²	53.7	27%	0.273	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-55.9	-35.5	174	0	0	0	0	0	112.6	N281 V283 S344 K345	N281-A342 HydrophobicContact CB-CB 4Å; N281-A342 PolarHBondContact OD1-N 2.93Å; V283-A342 HydrophobicContact CG2-CB 4.38Å; A342-S344 VanDerWaalsContact C-N 3.29Å; A342-S344 PolarHBondContact O-N 3.3Å; A342-K345 WeakPolarHBondContact O-CB 3.17Å; A342-K345 PolarHBondContact O-N 3.28Å; A342-K345 VanDerWaalsContact O-N 3.09Å
343	S	97.2	Very high	97.1	Very high	84 Å²	84	59.9 Å²	59.9	59%	0.587	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-63.6	-31.4	176.7	55.8	0	0	0	0	113.3	S341 K345 I346	S341-S343 PolarHBondContact O-N 3.04Å; S341-S343 PolarHBondContact OG-OG 2.72Å; S343-K345 PolarHBondContact O-N 2.8Å; S343-I346 PolarHBondContact O-N 3.16Å
344	S	96.9	Very high	97	Very high	70 Å²	70	58.8 Å²	58.8	49%	0.49	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-75.3	-7.8	177	87.7	0	0	0	0	112.7	A340 S341 A342	A340-S344 WeakPolarHBondContact CB-OG 3.3Å; S341-S344 PolarHBondContact O-N 3.06Å; S341-S344 PolarHBondContact O-OG 3.09Å; S341-S344 PolarHBondContact OG-N 3.45Å; A342-S344 VanDerWaalsContact C-N 3.29Å; A342-S344 PolarHBondContact O-N 3.3Å
345	K	97.6	Very high	96.9	Very high	25 Å²	25	59.5 Å²	59.5	11%	0.109	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-88.1	-10.8	174.7	-54.3	-57.2	179.9	-178	0	112.5	C173 V283 M291 E297 A342 S343 F347	C173-K345 HydrophobicContact CB-CB 4.42Å; C173-K345 HydrophobicContact CB-CG 4.41Å; V283-K345 HydrophobicContact CG2-CB 4.05Å; V283-K345 HydrophobicContact CG2-CG 4.41Å; M291-K345 VanDerWaalsContact CB-O 3.22Å; M291-K345 WeakPolarHBondContact CB-O 3.46Å; E297-K345 IonicContact OE1-NZ 2.82Å; E297-K345 PolarHBondContact OE1-NZ 2.81Å; A342-K345 WeakPolarHBondContact O-CB 3.17Å; A342-K345 PolarHBondContact O-N 3.28Å; A342-K345 VanDerWaalsContact O-N 3.09Å; S343-K345 PolarHBondContact O-N 2.8Å; K345-F347 PolarHBondContact O-N 2.71Å
346	I	98.1	Very high	96.8	Very high	62 Å²	62	65.1 Å²	65.1	32%	0.318	41%	0.408	S	S	.	.	S	Bend	trans	-74.6	111.5	170.7	-57	176.7	0	0	0	107.4	L285 Q289 A290 S343	L285-I346 HydrophobicContact CD2-CG1 4.18Å; Q289-I346 HydrophobicContact CB-CG2 4.47Å; A290-I346 CarbonylContact O-C 3.59Å; A290-I346 WeakPolarHBondContact O-CA 3.28Å; S343-I346 PolarHBondContact O-N 3.16Å
347	F	98.1	Very high	96.9	Very high	37 Å²	37	63.7 Å²	63.7	16%	0.162	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-72.7	127.9	178.2	-172.6	-91	0	0	0	109.8	M162 A290 F292 K345 D362 P363	M162-F347 HydrophobicContact SD-CD1 4.44Å; A290-F347 HydrophobicContact CB-CB 4.16Å; A290-F347 PolarHBondContact O-N 3.15Å; F292-F347 HydrophobicContact CB-CB 4.45Å; F292-F347 HydrophobicContact CB-CD2 3.55Å; F292-F347 HydrophobicContact CB-CE2 4.12Å; F292-F347 HydrophobicContact CB-CG 4.18Å; F292-F347 HydrophobicContact CG-CD2 4.48Å; K345-F347 PolarHBondContact O-N 2.71Å; F347-D362 WeakPolarHBondContact CZ-O 3.11Å; F347-P363 HydrophobicContact CE2-CB 4.34Å; F347-P363 HydrophobicContact CZ-CB 4.35Å
348	P	96.8	Very high	96.9	Very high	90 Å²	90	63.4 Å²	63.4	58%	0.584	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-71.7	137	-179.6	29.8	-34.1	0	0	0	110.8
349	C	94.8	Very high	97	Very high	60 Å²	60	58.6 Å²	58.6	41%	0.405	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-101.9	147.4	168.9	65.6	0	0	0	0	110.4	T359 L360 Y361	C349-T359 HydrophobicContact CB-CG2 3.54Å; C349-L360 VanDerWaalsContact CA-O 3.31Å; C349-L360 WeakPolarHBondContact CA-O 3.23Å; C349-Y361 HydrophobicContact CB-CD1 3.77Å; C349-Y361 HydrophobicContact CB-CE1 3.5Å; C349-Y361 HydrophobicContact CB-CE2 4.39Å; C349-Y361 HydrophobicContact CB-CG 4.34Å
350	V	96.4	Very high	97	Very high	88 Å²	88	58 Å²	58	53%	0.533	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.3	-175.1	-175.2	0	0	0	0	109.6	L360	V350-L360 PolarHBondContact N-O 3.35Å; V350-L360 PolarHBondContact O-N 2.66Å
351	P	97.4	Very high	97.1	Very high	88 Å²	88	56.8 Å²	56.8	57%	0.571	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	138.9	171.1	-22.9	34	0	0	0	111.2
352	D	96.3	Very high	97.1	Very high	40 Å²	40	58.8 Å²	58.8	21%	0.214	37%	0.373	C	S	.	.			trans	-70.2	124.3	174.2	-171.3	-23.6	0	0	0	109.4	A354 D355 V358 L360	D352-A354 PolarHBondContact O-N 2.74Å; D352-A354 WeakPolarHBondContact OD1-CB 3.37Å; D352-A354 PolarHBondContact OD1-N 3.35Å; D352-D355 CarbonylContact O-C 3.43Å; D352-D355 PolarHBondContact O-N 3.47Å; D352-V358 HydrophobicContact CB-CB 3.73Å; D352-V358 HydrophobicContact CB-CG1 3.89Å; D352-V358 PolarHBondContact N-O 2.81Å; D352-L360 HydrophobicContact CB-CG 4.48Å
353	P	93.8	Very high	97.1	Very high	132 Å²	132	57.3 Å²	57.3	86%	0.857	36%	0.361	S	S	*	.	S	Bend	trans	-65.4	-22.4	177	27.6	-36.2	0	0	0	113.6
354	A	94.9	Very high	97	Very high	90 Å²	90	58.7 Å²	58.7	74%	0.744	37%	0.368	S	S	*	.	S	Bend	trans	-89.2	-21.5	-179.5	0	0	0	0	0	113.2	D352	D352-A354 PolarHBondContact O-N 2.74Å; D352-A354 WeakPolarHBondContact OD1-CB 3.37Å; D352-A354 PolarHBondContact OD1-N 3.35Å
355	D	96.9	Very high	97	Very high	29 Å²	29	56.6 Å²	56.6	16%	0.155	35%	0.352	C	S	.	.			trans	-143.5	109.9	-179.5	-171.3	-17.2	0	0	0	112	D352 C357 V358 Y382	D352-D355 CarbonylContact O-C 3.43Å; D352-D355 PolarHBondContact O-N 3.47Å; D355-C357 PolarHBondContact O-N 2.63Å; D355-C357 VanDerWaalsContact O-N 3.1Å; D355-C357 VanDerWaalsContact OD1-CB 3.28Å; D355-C357 WeakPolarHBondContact OD1-CB 3.3Å; D355-C357 PolarHBondContact OD1-N 3.27Å; D355-V358 HydrophobicContact CB-CB 4.21Å; D355-V358 HydrophobicContact CB-CG2 3.81Å; D355-V358 PolarHBondContact O-N 2.75Å; D355-V358 WeakPolarHBondContact OD2-CG2 3.46Å; D355-Y382 VanDerWaalsContact OD2-CE2 3.3Å; D355-Y382 WeakPolarHBondContact OD2-CE2 3.11Å; D355-Y382 VanDerWaalsContact OD2-CZ 3.27Å; D355-Y382 PolarHBondContact OD2-OH 2.99Å
356	P	96.1	Very high	97	Very high	127 Å²	127	58.4 Å²	58.4	83%	0.825	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-13	-179	29.9	-36.6	0	0	0	114	V358	P356-V358 VanDerWaalsContact C-N 3.28Å
357	C	97.9	Very high	97	Very high	19 Å²	19	55.5 Å²	55.5	13%	0.128	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.8	174.3	-57.2	0	0	0	0	112.2	D355 I373 Q374 Y382	D355-C357 PolarHBondContact O-N 2.63Å; D355-C357 VanDerWaalsContact O-N 3.1Å; D355-C357 VanDerWaalsContact OD1-CB 3.28Å; D355-C357 WeakPolarHBondContact OD1-CB 3.3Å; D355-C357 PolarHBondContact OD1-N 3.27Å; C357-I373 CarbonylContact O-C 3.53Å; C357-I373 WeakPolarHBondContact O-CA 3.48Å; C357-Q374 WeakPolarHBondContact CB-O 3.43Å; C357-Q374 PolarHBondContact O-N 3.01Å; C357-Y382 HydrophobicContact CB-CE2 3.88Å
358	V	98.4	Very high	97	Very high	8 Å²	8	53.8 Å²	53.8	5%	0.048	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.8	-170.6	-178.8	0	0	0	0	111.2	D352 D355 P356 L360 M371 K372 I373	D352-V358 HydrophobicContact CB-CB 3.73Å; D352-V358 HydrophobicContact CB-CG1 3.89Å; D352-V358 PolarHBondContact N-O 2.81Å; D355-V358 HydrophobicContact CB-CB 4.21Å; D355-V358 HydrophobicContact CB-CG2 3.81Å; D355-V358 PolarHBondContact O-N 2.75Å; D355-V358 WeakPolarHBondContact OD2-CG2 3.46Å; P356-V358 VanDerWaalsContact C-N 3.28Å; V358-L360 HydrophobicContact CG1-CD2 3.86Å; V358-M371 HydrophobicContact CG1-CB 4.06Å; V358-K372 WeakPolarHBondContact CA-O 3.2Å; V358-I373 HydrophobicContact CG2-CG1 4.21Å; V358-I373 HydrophobicContact CG2-CG2 4.39Å
359	T	98.5	Very high	97.1	Very high	29 Å²	29	49.6 Å²	49.6	18%	0.178	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.9	170	-63.3	0	0	0	0	109.2	C349 Y361 M371 K372	C349-T359 HydrophobicContact CB-CG2 3.54Å; T359-Y361 HydrophobicContact CG2-CE2 4.2Å; T359-M371 CarbonylContact O-C 3.51Å; T359-M371 WeakPolarHBondContact O-CA 3.47Å; T359-K372 PolarHBondContact N-O 2.58Å; T359-K372 PolarHBondContact O-N 3.16Å
360	L	98.4	Very high	97.3	Very high	32 Å²	32	46.8 Å²	46.8	17%	0.168	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	137.1	-175.8	-56.1	177.6	0	0	0	111.4	C349 V350 D352 V358 M371	C349-L360 VanDerWaalsContact CA-O 3.31Å; C349-L360 WeakPolarHBondContact CA-O 3.23Å; V350-L360 PolarHBondContact N-O 3.35Å; V350-L360 PolarHBondContact O-N 2.66Å; D352-L360 HydrophobicContact CB-CG 4.48Å; V358-L360 HydrophobicContact CG1-CD2 3.86Å; L360-M371 HydrophobicContact CD2-CB 4.14Å; L360-M371 HydrophobicContact CD2-CE 3.86Å; L360-M371 HydrophobicContact CD2-CG 3.58Å; L360-M371 HydrophobicContact CD2-SD 4.09Å
361	Y	98.6	Very high	97.4	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	95.5	167.2	-55.9	-100.1	0	0	0	106.9	I164 G288 A290 C349 T359 P363 V370 K372	I164-Y361 HydrophobicContact CD1-CD1 4Å; I164-Y361 HydrophobicContact CD1-CD2 3.65Å; I164-Y361 HydrophobicContact CD1-CE1 4.28Å; I164-Y361 HydrophobicContact CD1-CE2 3.99Å; I164-Y361 HydrophobicContact CD1-CG 3.67Å; I164-Y361 HydrophobicContact CG1-CD1 4.12Å; I164-Y361 HydrophobicContact CG1-CE1 4.29Å; I164-Y361 HydrophobicContact CG1-CG 4.27Å; I164-Y361 HydrophobicContact CG2-CE1 3.88Å; I164-Y361 HydrophobicContact CG2-CE2 4.42Å; G288-Y361 WeakPolarHBondContact O-CE1 3.37Å; G288-Y361 PolarHBondContact O-OH 2.76Å; A290-Y361 HydrophobicContact CB-CD1 3.53Å; A290-Y361 HydrophobicContact CB-CE1 3.69Å; C349-Y361 HydrophobicContact CB-CD1 3.77Å; C349-Y361 HydrophobicContact CB-CE1 3.5Å; C349-Y361 HydrophobicContact CB-CE2 4.39Å; C349-Y361 HydrophobicContact CB-CG 4.34Å; T359-Y361 HydrophobicContact CG2-CE2 4.2Å; Y361-P363 VanDerWaalsContact O-CD 3.28Å; Y361-P363 WeakPolarHBondContact O-CD 3.37Å; Y361-V370 WeakPolarHBondContact CD2-O 3.4Å; Y361-V370 PolarHBondContact N-O 3.4Å; Y361-V370 PolarHBondContact O-N 3.14Å; Y361-K372 HydrophobicContact CE2-CB 3.79Å
362	D	97.8	Very high	97.4	Very high	87 Å²	87	40.7 Å²	40.7	47%	0.465	26%	0.255	S	S	.	.			trans	-117.9	81.9	-167.9	-167.9	39.8	0	0	0	111.2	F347 T369	F347-D362 WeakPolarHBondContact CZ-O 3.11Å; D362-T369 HydrophobicContact CB-CG2 3.89Å; D362-T369 WeakPolarHBondContact OD1-CB 3.45Å; D362-T369 WeakPolarHBondContact OD1-CG2 3.47Å; D362-T369 PolarHBondContact OD1-OG1 3.19Å
363	P	97.5	Very high	97.5	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.019	25%	0.245	C	C	.	.			trans	-65.6	158.8	179.7	28.1	-33.1	0	0	0	111.3	M162 F292 F347 Y361 V365 F368	M162-P363 HydrophobicContact SD-CG 4.35Å; F292-P363 HydrophobicContact CD1-CB 4.42Å; F292-P363 HydrophobicContact CD2-CB 3.35Å; F292-P363 HydrophobicContact CD2-CG 4.12Å; F292-P363 HydrophobicContact CE1-CB 4.49Å; F292-P363 HydrophobicContact CE2-CB 3.44Å; F292-P363 VanDerWaalsContact CE2-CB 3.44Å; F292-P363 HydrophobicContact CE2-CG 4.12Å; F292-P363 HydrophobicContact CG-CB 3.88Å; F292-P363 HydrophobicContact CZ-CB 4.04Å; F347-P363 HydrophobicContact CE2-CB 4.34Å; F347-P363 HydrophobicContact CZ-CB 4.35Å; Y361-P363 VanDerWaalsContact O-CD 3.28Å; Y361-P363 WeakPolarHBondContact O-CD 3.37Å; P363-V365 HydrophobicContact CB-CG2 4.19Å; P363-V365 HydrophobicContact CG-CG2 3.88Å; P363-V365 PolarHBondContact O-N 3.34Å; P363-F368 HydrophobicContact CG-CD2 3.97Å; P363-F368 HydrophobicContact CG-CE2 3.48Å; P363-F368 VanDerWaalsContact CG-CE2 3.48Å; P363-F368 HydrophobicContact CG-CZ 4Å
364	P	96.2	Very high	97.8	Very high	112 Å²	112	36.7 Å²	36.7	73%	0.727	22%	0.224	S	C	*	.	S	Bend	trans	-77.6	52.2	-176.3	34.6	-38	0	0	0	112.2	F292	F292-P364 HydrophobicContact CE1-CG 4.27Å
365	V	96.8	Very high	97.9	Very high	26 Å²	26	32.6 Å²	32.6	16%	0.158	19%	0.189	C	C	.	.	S	Bend	trans	-136.7	144	177.6	-64	0	0	0	0	109.7	P160 F292 P363 D367 F368	P160-V365 HydrophobicContact CB-CG1 3.83Å; P160-V365 HydrophobicContact CB-CG2 4.31Å; P160-V365 HydrophobicContact CG-CB 4.27Å; P160-V365 HydrophobicContact CG-CG1 3.94Å; P160-V365 HydrophobicContact CG-CG2 4.23Å; F292-V365 HydrophobicContact CE2-CG1 4.44Å; F292-V365 HydrophobicContact CE2-CG2 4.37Å; F292-V365 HydrophobicContact CZ-CG1 3.85Å; P363-V365 HydrophobicContact CB-CG2 4.19Å; P363-V365 HydrophobicContact CG-CG2 3.88Å; P363-V365 PolarHBondContact O-N 3.34Å; V365-D367 PolarHBondContact O-N 2.82Å; V365-F368 HydrophobicContact CG2-CD1 4.42Å; V365-F368 HydrophobicContact CG2-CE1 4.12Å; V365-F368 HydrophobicContact CG2-CZ 4.36Å
366	P	96.8	Very high	97.9	Very high	63 Å²	63	34.3 Å²	34.3	41%	0.409	20%	0.202	S	C	.	.	S	Bend	trans	-73	-17.1	179.8	31	-36.1	0	0	0	113	F114 F368 S444 L446	F114-P366 HydrophobicContact CZ-CB 4.08Å; F114-P366 HydrophobicContact CZ-CG 4.14Å; P366-F368 PolarHBondContact O-N 3Å; P366-S444 PolarHBondContact O-OG 3.33Å; P366-L446 HydrophobicContact CB-CD1 4.34Å; P366-L446 HydrophobicContact CB-CD2 3.41Å; P366-L446 VanDerWaalsContact CB-CD2 3.41Å; P366-L446 HydrophobicContact CB-CG 3.97Å
367	D	97.9	Very high	97.8	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	18%	0.177	C	C	.	.	S	Bend	trans	-65.6	-39.6	-168.1	-55	-113.6	0	0	0	112.2	F114 P119 H158 A311 V365	F114-D367 HydrophobicContact CZ-CB 4.43Å; P119-D367 WeakPolarHBondContact CB-O 3.43Å; P119-D367 VanDerWaalsContact CG-O 3.29Å; P119-D367 WeakPolarHBondContact CG-O 3.25Å; H158-D367 IonicContact CD2-OD1 2.65Å; H158-D367 IonicContact CE1-OD2 3.23Å; H158-D367 PolarHBondContact CE1-OD2 2.85Å; H158-D367 IonicContact NE2-OD1 2.84Å; H158-D367 PolarHBondContact NE2-OD1 3.01Å; H158-D367 IonicContact NE2-OD2 2.77Å; H158-D367 PolarHBondContact NE2-OD2 3.27Å; H158-D367 VanDerWaalsContact NE2-OD2 3.09Å; A311-D367 HydrophobicContact CB-CB 3.99Å; A311-D367 VanDerWaalsContact CB-OD1 3.25Å; A311-D367 WeakPolarHBondContact CB-OD1 3.29Å; V365-D367 PolarHBondContact O-N 2.82Å
368	F	98.5	Very high	97.7	Very high	1 Å²	1	34 Å²	34	0%	0.004	21%	0.205	C	C	.	.			trans	-160.8	158.1	-177.8	62.2	-90.8	0	0	0	115	F120 P160 M162 F292 C309 P363 V365 P366 V370 C443	F120-F368 HydrophobicContact CB-CB 3.85Å; F120-F368 HydrophobicContact CB-CD1 4.35Å; F120-F368 HydrophobicContact CB-CG 4.45Å; F120-F368 HydrophobicContact CD1-CB 4.13Å; F120-F368 HydrophobicContact CG-CB 4.14Å; P160-F368 HydrophobicContact CG-CE1 4.45Å; M162-F368 HydrophobicContact CB-CE2 3.71Å; M162-F368 HydrophobicContact CB-CZ 4.07Å; M162-F368 HydrophobicContact CE-CD2 4.32Å; M162-F368 HydrophobicContact CE-CE2 3.98Å; F292-F368 HydrophobicContact CE2-CZ 4.48Å; C309-F368 HydrophobicContact CB-CD2 3.74Å; C309-F368 HydrophobicContact CB-CE2 3.92Å; C309-F368 HydrophobicContact CB-CG 4.18Å; C309-F368 VanDerWaalsContact O-CZ 3.24Å; C309-F368 WeakPolarHBondContact O-CZ 3.4Å; C309-F368 VanDerWaalsContact SG-CG 3.57Å; P363-F368 HydrophobicContact CG-CD2 3.97Å; P363-F368 HydrophobicContact CG-CE2 3.48Å; P363-F368 VanDerWaalsContact CG-CE2 3.48Å; P363-F368 HydrophobicContact CG-CZ 4Å; V365-F368 HydrophobicContact CG2-CD1 4.42Å; V365-F368 HydrophobicContact CG2-CE1 4.12Å; V365-F368 HydrophobicContact CG2-CZ 4.36Å; P366-F368 PolarHBondContact O-N 3Å; F368-V370 HydrophobicContact CD2-CG2 4.48Å; F368-C443 CarbonylContact C-O 3.6Å; F368-C443 WeakPolarHBondContact CA-O 3.18Å
369	T	98.5	Very high	97.6	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.7	163.5	-50.9	0	0	0	0	107	D362 C443 L445	D362-T369 HydrophobicContact CB-CG2 3.89Å; D362-T369 WeakPolarHBondContact OD1-CB 3.45Å; D362-T369 WeakPolarHBondContact OD1-CG2 3.47Å; D362-T369 PolarHBondContact OD1-OG1 3.19Å; T369-C443 PolarHBondContact N-O 3.34Å; T369-C443 PolarHBondContact O-N 3.38Å; T369-C443 VanDerWaalsContact O-O 3.14Å; T369-L445 HydrophobicContact CG2-CD1 3.74Å; T369-L445 HydrophobicContact CG2-CG 4.29Å; T369-L445 WeakPolarHBondContact OG1-CG 3.09Å
370	V	98.8	Very high	97.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.2	170.6	-177.9	0	0	0	0	109.8	F122 M162 I164 C309 Y361 F368 F440 R441	F122-V370 HydrophobicContact CE2-CG1 4.34Å; F122-V370 HydrophobicContact CE2-CG2 4.38Å; M162-V370 HydrophobicContact CE-CB 3.57Å; M162-V370 HydrophobicContact CE-CG2 3.37Å; I164-V370 HydrophobicContact CD1-CB 3.91Å; I164-V370 HydrophobicContact CD1-CG1 3.61Å; C309-V370 HydrophobicContact CB-CG2 3.52Å; Y361-V370 WeakPolarHBondContact CD2-O 3.4Å; Y361-V370 PolarHBondContact N-O 3.4Å; Y361-V370 PolarHBondContact O-N 3.14Å; F368-V370 HydrophobicContact CD2-CG2 4.48Å; V370-F440 HydrophobicContact CG1-CD1 3.82Å; V370-R441 CarbonylContact C-O 3.54Å; V370-R441 WeakPolarHBondContact CA-O 3.22Å
371	M	98.7	Very high	97.4	Very high	16 Å²	16	43.6 Å²	43.6	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.8	174.1	-44.3	-178.1	163.5	0	0	108.9	V358 T359 L360 V387 F440 R441 L445	V358-M371 HydrophobicContact CG1-CB 4.06Å; T359-M371 CarbonylContact O-C 3.51Å; T359-M371 WeakPolarHBondContact O-CA 3.47Å; L360-M371 HydrophobicContact CD2-CB 4.14Å; L360-M371 HydrophobicContact CD2-CE 3.86Å; L360-M371 HydrophobicContact CD2-CG 3.58Å; L360-M371 HydrophobicContact CD2-SD 4.09Å; M371-V387 HydrophobicContact CE-CG1 4.11Å; M371-F440 CarbonylContact O-C 3.53Å; M371-F440 VanDerWaalsContact O-CA 3.3Å; M371-F440 WeakPolarHBondContact O-CA 3.41Å; M371-R441 HydrophobicContact CB-CB 4.11Å; M371-R441 HydrophobicContact CG-CB 4.46Å; M371-R441 PolarHBondContact N-O 3Å; M371-R441 PolarHBondContact O-N 2.83Å; M371-L445 HydrophobicContact CE-CD1 4.22Å; M371-L445 HydrophobicContact CE-CD2 4.04Å
372	K	98.8	Very high	97.4	Very high	32 Å²	32	44.4 Å²	44.4	14%	0.139	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.2	165.4	-175.5	-170.4	-174.2	-160.5	0	108.1	V358 T359 Y361 Q374 F440	V358-K372 WeakPolarHBondContact CA-O 3.2Å; T359-K372 PolarHBondContact N-O 2.58Å; T359-K372 PolarHBondContact O-N 3.16Å; Y361-K372 HydrophobicContact CE2-CB 3.79Å; K372-Q374 HydrophobicContact CD-CG 4.25Å; K372-Q374 VanDerWaalsContact CE-CD 3.41Å; K372-Q374 VanDerWaalsContact CE-OE1 3.22Å; K372-Q374 HydrophobicContact CG-CG 4.14Å; K372-Q374 VanDerWaalsContact NZ-CD 3.31Å; K372-F440 HydrophobicContact CB-CD1 4.07Å; K372-F440 HydrophobicContact CB-CE1 3.76Å; K372-F440 HydrophobicContact CB-CZ 4.26Å; K372-F440 HydrophobicContact CD-CE1 4.25Å; K372-F440 HydrophobicContact CD-CZ 4Å; K372-F440 HydrophobicContact CG-CD1 4.36Å; K372-F440 HydrophobicContact CG-CE1 3.84Å; K372-F440 HydrophobicContact CG-CE2 4.27Å; K372-F440 HydrophobicContact CG-CZ 3.8Å
373	I	98.7	Very high	97.4	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.8	-179.4	-49.7	-178.3	0	0	0	107.8	C357 V358 V375 Y382 V384 L393 T438 L439 R441	C357-I373 CarbonylContact O-C 3.53Å; C357-I373 WeakPolarHBondContact O-CA 3.48Å; V358-I373 HydrophobicContact CG2-CG1 4.21Å; V358-I373 HydrophobicContact CG2-CG2 4.39Å; I373-V375 HydrophobicContact CG2-CG2 4.04Å; I373-Y382 HydrophobicContact CG2-CE1 3.66Å; I373-Y382 WeakPolarHBondContact CG2-OH 3.38Å; I373-V384 HydrophobicContact CD1-CG1 4.08Å; I373-V384 HydrophobicContact CD1-CG2 4.41Å; I373-L393 HydrophobicContact CD1-CD2 4.31Å; I373-T438 CarbonylContact O-C 3.51Å; I373-T438 WeakPolarHBondContact O-CA 3.11Å; I373-L439 HydrophobicContact CB-CB 4.31Å; I373-L439 HydrophobicContact CB-CD1 4.39Å; I373-L439 HydrophobicContact CG2-CD1 4.42Å; I373-L439 PolarHBondContact N-O 3Å; I373-L439 PolarHBondContact O-N 3.31Å; I373-R441 HydrophobicContact CD1-CB 4.49Å
374	Q	98.2	Very high	97.5	Very high	87 Å²	87	43.6 Å²	43.6	41%	0.407	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	99.3	179.3	-63.5	-169.2	-104.9	0	0	109.8	C357 K372 P376 M437 T438	C357-Q374 WeakPolarHBondContact CB-O 3.43Å; C357-Q374 PolarHBondContact O-N 3.01Å; K372-Q374 HydrophobicContact CD-CG 4.25Å; K372-Q374 VanDerWaalsContact CE-CD 3.41Å; K372-Q374 VanDerWaalsContact CE-OE1 3.22Å; K372-Q374 HydrophobicContact CG-CG 4.14Å; K372-Q374 VanDerWaalsContact NZ-CD 3.31Å; Q374-P376 WeakPolarHBondContact O-CD 3.4Å; Q374-M437 CarbonylContact C-O 3.57Å; Q374-M437 WeakPolarHBondContact CA-O 3.05Å; Q374-T438 HydrophobicContact CG-CG2 4.31Å
375	V	98.2	Very high	97.5	Very high	3 Å²	3	41 Å²	41	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116.6	-179.9	-173.5	0	0	0	0	108.9	I373 V379 Y382 V431 G436 M437	I373-V375 HydrophobicContact CG2-CG2 4.04Å; V375-V379 HydrophobicContact CG1-CB 3.78Å; V375-V379 HydrophobicContact CG1-CG1 3.86Å; V375-Y382 HydrophobicContact CG1-CD2 4.36Å; V375-Y382 HydrophobicContact CG1-CG 4.11Å; V375-Y382 HydrophobicContact CG2-CD1 3.57Å; V375-Y382 HydrophobicContact CG2-CD2 4.01Å; V375-Y382 HydrophobicContact CG2-CE1 3.84Å; V375-Y382 HydrophobicContact CG2-CE2 4.29Å; V375-Y382 HydrophobicContact CG2-CG 3.65Å; V375-V431 HydrophobicContact CG1-CG2 4.01Å; V375-G436 CarbonylContact O-C 3.56Å; V375-G436 VanDerWaalsContact O-CA 3.24Å; V375-G436 WeakPolarHBondContact O-CA 3.25Å; V375-M437 HydrophobicContact CB-CB 4.33Å; V375-M437 PolarHBondContact N-O 3.38Å; V375-M437 PolarHBondContact O-N 3.43Å
376	P	96.9	Very high	97.5	Very high	65 Å²	65	42.9 Å²	42.9	42%	0.422	26%	0.256	S	S	.	.			trans	-65.2	151.3	179.4	-20.9	33	0	0	0	112.4	Q374 S378 V379	Q374-P376 WeakPolarHBondContact O-CD 3.4Å; P376-S378 PolarHBondContact O-N 3.33Å; P376-V379 PolarHBondContact O-N 3.28Å
377	A	94.8	Very high	97.4	Very high	35 Å²	35	40.8 Å²	40.8	29%	0.289	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.8	178.1	0	0	0	0	0	115.2	V379 K380 Q434	A377-V379 VanDerWaalsContact C-N 3.31Å; A377-K380 PolarHBondContact O-NZ 2.85Å; A377-Q434 WeakPolarHBondContact CB-O 3.46Å
378	S	95.6	Very high	97.3	Very high	104 Å²	104	43.9 Å²	43.9	73%	0.727	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-20.4	176.9	56.4	0	0	0	0	113.5	P376	P376-S378 PolarHBondContact O-N 3.33Å
379	V	96.6	Very high	97.3	Very high	44 Å²	44	43.9 Å²	43.9	27%	0.267	26%	0.258	S	S	.	.			trans	-90.2	119.1	177.1	179.9	0	0	0	0	108.1	V375 P376 A377 D381	V375-V379 HydrophobicContact CG1-CB 3.78Å; V375-V379 HydrophobicContact CG1-CG1 3.86Å; P376-V379 PolarHBondContact O-N 3.28Å; A377-V379 VanDerWaalsContact C-N 3.31Å; V379-D381 VanDerWaalsContact CG1-O 3.25Å; V379-D381 WeakPolarHBondContact CG1-O 3.31Å
380	K	95.3	Very high	97.2	Very high	103 Å²	103	43.9 Å²	43.9	45%	0.448	26%	0.259	S	S	.	.	S	Bend	trans	-97.4	-32.1	179.8	-63.7	-50.9	-174.6	-162.7	0	113.3	A377 Q430 V431	A377-K380 PolarHBondContact O-NZ 2.85Å; K380-Q430 CarbonylContact O-C 3.56Å; K380-Q430 WeakPolarHBondContact O-CA 3.47Å; K380-V431 PolarHBondContact O-N 3.49Å
381	D	97.4	Very high	97.2	Very high	125 Å²	125	43.9 Å²	43.9	67%	0.668	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.8	175.6	-57.1	-63.2	0	0	0	108.3	V379 L429	V379-D381 VanDerWaalsContact CG1-O 3.25Å; V379-D381 WeakPolarHBondContact CG1-O 3.31Å; D381-L429 WeakPolarHBondContact CA-O 3.26Å
382	Y	98.1	Very high	97.2	Very high	20 Å²	20	43.1 Å²	43.1	8%	0.078	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.4	179.4	176.6	-97.2	0	0	0	109.7	D355 C357 I373 V375 V384 L429	D355-Y382 VanDerWaalsContact OD2-CE2 3.3Å; D355-Y382 WeakPolarHBondContact OD2-CE2 3.11Å; D355-Y382 VanDerWaalsContact OD2-CZ 3.27Å; D355-Y382 PolarHBondContact OD2-OH 2.99Å; C357-Y382 HydrophobicContact CB-CE2 3.88Å; I373-Y382 HydrophobicContact CG2-CE1 3.66Å; I373-Y382 WeakPolarHBondContact CG2-OH 3.38Å; V375-Y382 HydrophobicContact CG1-CD2 4.36Å; V375-Y382 HydrophobicContact CG1-CG 4.11Å; V375-Y382 HydrophobicContact CG2-CD1 3.57Å; V375-Y382 HydrophobicContact CG2-CD2 4.01Å; V375-Y382 HydrophobicContact CG2-CE1 3.84Å; V375-Y382 HydrophobicContact CG2-CE2 4.29Å; V375-Y382 HydrophobicContact CG2-CG 3.65Å; Y382-V384 HydrophobicContact CD1-CG2 4.29Å; Y382-V384 HydrophobicContact CE1-CG2 3.91Å; Y382-L429 HydrophobicContact CD1-CD1 4.1Å; Y382-L429 PolarHBondContact N-O 3.47Å; Y382-L429 WeakPolarHBondContact O-CA 3.27Å; Y382-L429 WeakPolarHBondContact O-CB 3.47Å; Y382-L429 PolarHBondContact O-N 3.13Å
383	T	98	Very high	97.2	Very high	72 Å²	72	41.8 Å²	41.8	44%	0.442	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.8	177.3	-63.7	0	0	0	0	109.4	A385	T383-A385 PolarHBondContact O-N 3.35Å; T383-A385 VanDerWaalsContact O-N 3.16Å
384	V	98	Very high	97.2	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	109.4	164.5	-177.1	0	0	0	0	107.2	I373 Y382 L393 S426 V427 L429	I373-V384 HydrophobicContact CD1-CG1 4.08Å; I373-V384 HydrophobicContact CD1-CG2 4.41Å; Y382-V384 HydrophobicContact CD1-CG2 4.29Å; Y382-V384 HydrophobicContact CE1-CG2 3.91Å; V384-L393 HydrophobicContact CG1-CD1 4.18Å; V384-L393 HydrophobicContact CG1-CD2 4.22Å; V384-S426 WeakPolarHBondContact O-CA 3.45Å; V384-S426 WeakPolarHBondContact O-CB 3.5Å; V384-V427 HydrophobicContact CB-CB 4.31Å; V384-V427 PolarHBondContact N-O 3.45Å; V384-V427 PolarHBondContact O-N 3.2Å; V384-V427 VanDerWaalsContact O-N 3.15Å; V384-L429 HydrophobicContact CG2-CD1 3.87Å; V384-L429 HydrophobicContact CG2-CG 4.18Å
385	A	96.6	Very high	97.3	Very high	58 Å²	58	37.6 Å²	37.6	48%	0.479	23%	0.23	S	C	.	.			trans	-60.2	152.7	-175.4	0	0	0	0	0	112.5	T383 R441	T383-A385 PolarHBondContact O-N 3.35Å; T383-A385 VanDerWaalsContact O-N 3.16Å; A385-R441 PolarHBondContact O-NH1 2.97Å; A385-R441 PolarHBondContact O-NH2 3.43Å
386	S	96.4	Very high	97.2	Very high	65 Å²	65	38.2 Å²	38.2	46%	0.455	23%	0.233	S	C	.	.			trans	-69	145.4	171.5	56.5	0	0	0	0	111.5	E425	S386-E425 VanDerWaalsContact CA-O 3.25Å; S386-E425 WeakPolarHBondContact CA-O 3.45Å; S386-E425 WeakPolarHBondContact CB-O 3.36Å
387	V	96.4	Very high	97.2	Very high	19 Å²	19	39.4 Å²	39.4	12%	0.115	23%	0.233	C	C	.	.			trans	-124.4	150.2	169.1	-60.1	0	0	0	0	108.5	M371 S389 N424 C443	M371-V387 HydrophobicContact CE-CG1 4.11Å; V387-S389 VanDerWaalsContact CG2-O 3.28Å; V387-S389 WeakPolarHBondContact CG2-O 3.38Å; V387-S389 PolarHBondContact O-N 2.9Å; V387-N424 PolarHBondContact O-N 2.89Å; V387-C443 HydrophobicContact CG2-CB 4.19Å
388	D	95.6	Very high	97.3	Very high	66 Å²	66	38.1 Å²	38.1	35%	0.353	22%	0.223	S	C	.	.	S	Bend	trans	-76.3	36.9	179.4	-168.4	27.2	0	0	0	112.6	N424	D388-N424 PolarHBondContact OD1-ND2 2.72Å; D388-N424 PolarHBondContact OD1-OD1 3.21Å
389	S	97.3	Very high	97.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	21%	0.207	C	C	.	.	S	Bend	trans	-153.2	156.3	173.8	61.9	0	0	0	0	112	L106 V387 A423 S444	L106-S389 VanDerWaalsContact O-CA 3.25Å; L106-S389 WeakPolarHBondContact O-CA 2.98Å; V387-S389 VanDerWaalsContact CG2-O 3.28Å; V387-S389 WeakPolarHBondContact CG2-O 3.38Å; V387-S389 PolarHBondContact O-N 2.9Å; S389-A423 VanDerWaalsContact C-CA 3.47Å; S389-A423 VanDerWaalsContact O-CA 3.32Å; S389-A423 WeakPolarHBondContact O-CA 3.36Å; S389-S444 WeakPolarHBondContact CB-O 3.43Å; S389-S444 PolarHBondContact OG-N 3.17Å; S389-S444 PolarHBondContact OG-O 2.75Å
390	A	97.8	Very high	97.3	Very high	2 Å²	2	34.5 Å²	34.5	2%	0.017	20%	0.195	C	C	.	.			trans	-60	146.3	166.1	0	0	0	0	0	110.5	L106 L118 F420 V421	L106-A390 HydrophobicContact CD2-CB 3.95Å; L106-A390 PolarHBondContact O-N 3.43Å; L106-A390 VanDerWaalsContact O-N 3.09Å; L118-A390 HydrophobicContact CD1-CB 4.37Å; A390-F420 HydrophobicContact CB-CE2 3.74Å; A390-F420 HydrophobicContact CB-CZ 3.76Å; A390-V421 CarbonylContact C-O 3.59Å; A390-V421 WeakPolarHBondContact CA-O 3.42Å
391	S	98.6	Very high	97.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.7	-179.2	62.5	0	0	0	0	112.4	V421 R441 A442	S391-V421 PolarHBondContact N-O 2.77Å; S391-V421 PolarHBondContact O-N 3.48Å; S391-V421 PolarHBondContact OG-O 2.83Å; S391-R441 VanDerWaalsContact CB-NE 3.32Å; S391-R441 PolarHBondContact OG-NE 3.17Å; S391-R441 PolarHBondContact OG-NH2 3.39Å; S391-R441 VanDerWaalsContact OG-NH2 3.12Å; S391-A442 CarbonylContact C-O 3.48Å; S391-A442 WeakPolarHBondContact CA-O 3.46Å; S391-A442 VanDerWaalsContact CB-O 3.23Å; S391-A442 WeakPolarHBondContact CB-O 3.39Å
392	I	98.8	Very high	97.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.6	175.4	-62.6	180	0	0	0	107.9	M75 L95 L118 F120 F122 V418 L419 F420 R441 A442	M75-I392 HydrophobicContact CB-CD1 4.37Å; M75-I392 HydrophobicContact CB-CG2 3.96Å; M75-I392 WeakPolarHBondContact O-CD1 3.43Å; L95-I392 HydrophobicContact CD2-CD1 4.33Å; L118-I392 HydrophobicContact CD2-CD1 4.18Å; F120-I392 HydrophobicContact CE2-CD1 4.11Å; F120-I392 HydrophobicContact CE2-CG1 4.33Å; F122-I392 HydrophobicContact CD1-CB 4.47Å; F122-I392 HydrophobicContact CD1-CG2 4.08Å; I392-V418 HydrophobicContact CG2-CG1 3.61Å; I392-L419 CarbonylContact C-O 3.53Å; I392-L419 WeakPolarHBondContact CA-O 2.95Å; I392-F420 HydrophobicContact CG1-CD2 4.45Å; I392-R441 CarbonylContact O-C 3.52Å; I392-R441 VanDerWaalsContact O-CA 3.27Å; I392-R441 WeakPolarHBondContact O-CA 3.46Å; I392-A442 PolarHBondContact N-O 2.9Å; I392-A442 PolarHBondContact O-N 3.49Å
393	L	98.7	Very high	97.2	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.4	174	-71.5	165.9	0	0	0	109.8	I373 V384 V418 L419 V421 F440 R441	I373-L393 HydrophobicContact CD1-CD2 4.31Å; V384-L393 HydrophobicContact CG1-CD1 4.18Å; V384-L393 HydrophobicContact CG1-CD2 4.22Å; L393-V418 CarbonylContact O-C 3.59Å; L393-V418 VanDerWaalsContact O-CA 3.22Å; L393-V418 WeakPolarHBondContact O-CA 3.38Å; L393-L419 HydrophobicContact CB-CB 4.28Å; L393-L419 PolarHBondContact N-O 2.83Å; L393-L419 PolarHBondContact O-N 3.13Å; L393-V421 HydrophobicContact CD1-CG2 3.75Å; L393-V421 HydrophobicContact CG-CG2 4.38Å; L393-F440 CarbonylContact C-O 3.59Å; L393-F440 WeakPolarHBondContact CA-O 3.36Å; L393-R441 HydrophobicContact CD2-CB 3.54Å; L393-R441 HydrophobicContact CD2-CG 3.59Å; L393-R441 HydrophobicContact CG-CG 4.18Å
394	L	98.8	Very high	97	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.4	170.6	170.3	66.1	0	0	0	109.3	L54 M75 F122 V124 I307 I396 V418 L439 F440	L54-L394 HydrophobicContact CD1-CD2 4.47Å; M75-L394 HydrophobicContact CE-CD2 3.97Å; M75-L394 HydrophobicContact SD-CB 4.01Å; M75-L394 HydrophobicContact SD-CD1 4.13Å; M75-L394 HydrophobicContact SD-CD2 3.95Å; M75-L394 HydrophobicContact SD-CG 4.25Å; F122-L394 HydrophobicContact CE1-CB 3.92Å; F122-L394 HydrophobicContact CE1-CD2 4.42Å; V124-L394 HydrophobicContact CG2-CD2 3.44Å; V124-L394 VanDerWaalsContact CG2-CD2 3.44Å; I307-L394 HydrophobicContact CD1-CD2 3.81Å; L394-I396 HydrophobicContact CD2-CD1 3.55Å; L394-I396 HydrophobicContact CD2-CG1 4.41Å; L394-I396 HydrophobicContact CG-CD1 3.89Å; L394-I396 HydrophobicContact CG-CG1 4.44Å; L394-V418 HydrophobicContact CD1-CG2 3.75Å; L394-L439 CarbonylContact O-C 3.59Å; L394-L439 WeakPolarHBondContact O-CA 3.37Å; L394-F440 PolarHBondContact N-O 2.88Å; L394-F440 PolarHBondContact O-N 3.3Å
395	V	98.6	Very high	96.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	121.2	171.6	-175.5	0	0	0	0	109.4	G398 L413 T414 G416 S417 M437 L439	V395-G398 WeakPolarHBondContact CG1-O 3.4Å; V395-L413 HydrophobicContact CG2-CB 4.12Å; V395-L413 HydrophobicContact CG2-CD1 4.25Å; V395-T414 VanDerWaalsContact CB-O 3.26Å; V395-T414 WeakPolarHBondContact CB-O 3.29Å; V395-T414 WeakPolarHBondContact CG1-O 3.5Å; V395-G416 PolarHBondContact O-N 2.78Å; V395-S417 PolarHBondContact N-O 3.13Å; V395-M437 HydrophobicContact CG1-CE 3.89Å; V395-M437 HydrophobicContact CG2-CE 4.35Å; V395-L439 HydrophobicContact CG2-CD2 3.86Å; V395-L439 HydrophobicContact CG2-CG 4.36Å
396	I	97.8	Very high	95.8	Very high	15 Å²	15	28.8 Å²	28.8	8%	0.077	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-36.9	174.7	-64.4	-60.8	0	0	0	110.9	L54 L166 I307 L394 R415 T438 F440	L54-I396 HydrophobicContact CD1-CD1 4.3Å; L54-I396 HydrophobicContact CD2-CD1 4.02Å; L166-I396 HydrophobicContact CD1-CD1 4.36Å; L166-I396 HydrophobicContact CD2-CD1 4.39Å; L166-I396 HydrophobicContact CD2-CG1 4.39Å; L166-I396 HydrophobicContact CD2-CG2 4.37Å; I307-I396 HydrophobicContact CD1-CD1 4.28Å; L394-I396 HydrophobicContact CD2-CD1 3.55Å; L394-I396 HydrophobicContact CD2-CG1 4.41Å; L394-I396 HydrophobicContact CG-CD1 3.89Å; L394-I396 HydrophobicContact CG-CG1 4.44Å; I396-R415 WeakPolarHBondContact O-CD 3.06Å; I396-R415 VanDerWaalsContact O-CG 3.31Å; I396-R415 WeakPolarHBondContact O-CG 3.25Å; I396-R415 PolarHBondContact O-NH1 3.14Å; I396-T438 HydrophobicContact CB-CG2 4.39Å; I396-T438 PolarHBondContact N-O 2.95Å; I396-F440 HydrophobicContact CG1-CD2 3.61Å; I396-F440 HydrophobicContact CG1-CE2 3.94Å
397	E	97.1	Very high	95.1	Very high	90 Å²	90	26.7 Å²	26.7	42%	0.421	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	146.8	-179.9	-168.2	-175.3	158.8	0	0	110.7	S435 M437 T438	E397-S435 PolarHBondContact OE1-OG 3.13Å; E397-M437 CarbonylContact O-C 3.58Å; E397-M437 VanDerWaalsContact O-CA 3.27Å; E397-M437 WeakPolarHBondContact O-CA 3.35Å; E397-T438 PolarHBondContact N-O 3.08Å; E397-T438 VanDerWaalsContact N-O 3.1Å; E397-T438 PolarHBondContact O-N 2.87Å
398	G	96.1	Very high	94.4	Very high	9 Å²	9	29.7 Å²	29.7	9%	0.093	18%	0.178	C	C	.	.			trans	88.3	174.8	174.7	0	0	0	0	0	113.5	V395 R415 G436	V395-G398 WeakPolarHBondContact CG1-O 3.4Å; G398-R415 PolarHBondContact O-N 3.41Å; G398-G436 WeakPolarHBondContact CA-O 3.28Å
399	D	95.6	Very high	94	Very high	70 Å²	70	29 Å²	29	37%	0.374	18%	0.178	S	C	.	.			trans	-133.9	142.9	-174.6	-55	-44.4	0	0	0	109.3	L413 T414 T432 S433	D399-L413 CarbonylContact C-O 3.58Å; D399-L413 WeakPolarHBondContact CA-O 3.28Å; D399-T414 WeakPolarHBondContact OD1-CA 3.37Å; D399-T432 PolarHBondContact O-N 3.38Å; D399-T432 PolarHBondContact O-OG1 3.46Å; D399-S433 PolarHBondContact O-N 2.79Å; D399-S433 VanDerWaalsContact O-N 3.17Å
400	A	97.3	Very high	93.8	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.017	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	160.8	173.4	0	0	0	0	0	111.7	L413 L429 Q430 M437	A400-L413 PolarHBondContact N-O 3.09Å; A400-L413 PolarHBondContact O-N 3.12Å; A400-L429 HydrophobicContact CB-CB 4.26Å; A400-Q430 CarbonylContact C-O 3.51Å; A400-Q430 WeakPolarHBondContact CA-O 3.48Å; A400-Q430 VanDerWaalsContact CB-O 3.31Å; A400-Q430 WeakPolarHBondContact CB-O 3.25Å; A400-M437 HydrophobicContact CB-CE 3.87Å; A400-M437 HydrophobicContact CB-SD 3.36Å; A400-M437 WeakPolarHBondContact CB-SD 3.5Å
401	M	97.3	Very high	93.6	Very high	58 Å²	58	34.8 Å²	34.8	29%	0.286	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.9	158.4	-169	61.9	69.7	0	0	108.8	D410 T412 Q430	M401-D410 HydrophobicContact CG-CB 3.96Å; M401-D410 HydrophobicContact SD-CB 3.68Å; M401-T412 WeakPolarHBondContact CE-OG1 3.32Å; M401-Q430 HydrophobicContact CB-CB 4.33Å; M401-Q430 PolarHBondContact N-O 2.93Å; M401-Q430 PolarHBondContact O-N 2.95Å
402	A	96.8	Very high	93.4	Very high	3 Å²	3	39 Å²	39	3%	0.025	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.7	175	0	0	0	0	0	110.9	D410 V411 L413 V427 S428 L429	A402-D410 CarbonylContact O-C 3.58Å; A402-D410 WeakPolarHBondContact O-CA 3.35Å; A402-V411 HydrophobicContact CB-CB 4.43Å; A402-V411 WeakPolarHBondContact CB-O 3.41Å; A402-V411 PolarHBondContact N-O 2.78Å; A402-V411 PolarHBondContact O-N 3.48Å; A402-L413 HydrophobicContact CB-CD1 3.66Å; A402-L413 HydrophobicContact CB-CD2 4.38Å; A402-L413 HydrophobicContact CB-CG 3.72Å; A402-V427 HydrophobicContact CB-CG1 3.78Å; A402-S428 CarbonylContact C-O 3.57Å; A402-S428 VanDerWaalsContact CA-O 3.3Å; A402-S428 WeakPolarHBondContact CA-O 3.4Å; A402-L429 HydrophobicContact CB-CD2 3.7Å
403	T	94.8	Very high	93.3	Very high	52 Å²	52	39.1 Å²	39.1	32%	0.319	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.4	175.8	67.6	0	0	0	0	109.9	D410 S428	T403-D410 HydrophobicContact CG2-CB 4.2Å; T403-D410 VanDerWaalsContact CG2-CG 3.5Å; T403-D410 VanDerWaalsContact CG2-OD1 3.26Å; T403-D410 WeakPolarHBondContact CG2-OD1 3.38Å; T403-S428 PolarHBondContact N-O 3.13Å; T403-S428 PolarHBondContact O-N 3.38Å
404	S	92.1	Very high	93.2	Very high	24 Å²	24	41 Å²	41	17%	0.168	25%	0.247	C	C	.	.			trans	-153.7	139.7	175.1	-174.6	0	0	0	0	109.2	A406 A407 S426	S404-A406 PolarHBondContact O-N 3.42Å; S404-A406 PolarHBondContact OG-N 2.95Å; S404-A407 PolarHBondContact O-N 3.17Å; S404-A407 VanDerWaalsContact O-N 3.1Å; S404-S426 PolarHBondContact OG-O 2.82Å
405	A	86.5	Confident	93.1	Very high	116 Å²	116	44.1 Å²	44.1	96%	0.959	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.3	172.1	0	0	0	0	0	112.1
406	A	83.2	Confident	93.1	Very high	7 Å²	7	44.4 Å²	44.4	6%	0.058	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	8.9	178.5	0	0	0	0	0	114	V28 R29 V30 S404 E425	V28-A406 CarbonylContact C-O 3.52Å; V28-A406 WeakPolarHBondContact CA-O 3.26Å; R29-A406 HydrophobicContact CB-CB 3.92Å; R29-A406 PolarHBondContact N-O 3.18Å; V30-A406 HydrophobicContact CG2-CB 4.07Å; V30-A406 PolarHBondContact N-O 3.16Å; V30-A406 VanDerWaalsContact N-O 3.08Å; S404-A406 PolarHBondContact O-N 3.42Å; S404-A406 PolarHBondContact OG-N 2.95Å; A406-E425 HydrophobicContact CB-CB 4.49Å; A406-E425 HydrophobicContact CB-CG 4.02Å; A406-E425 VanDerWaalsContact CB-OE2 3.27Å; A406-E425 WeakPolarHBondContact CB-OE2 3.45Å
407	A	82.9	Confident	93.1	Very high	20 Å²	20	44.5 Å²	44.5	17%	0.165	26%	0.264	C	S	.	.	S	Bend	trans	-111.4	148.8	174.4	0	0	0	0	0	110.3	V30 S404 S409	V30-A407 HydrophobicContact CB-CB 4.36Å; S404-A407 PolarHBondContact O-N 3.17Å; S404-A407 VanDerWaalsContact O-N 3.1Å; A407-S409 PolarHBondContact O-N 2.91Å
408	F	81.3	Confident	93.1	Very high	83 Å²	83	40.4 Å²	40.4	36%	0.364	25%	0.246	S	C	.	.	S	Bend	trans	-68	-23.8	175.6	-81.8	-52.9	0	0	0	113.6	V28 R89 I90	V28-F408 HydrophobicContact CB-CD2 4.08Å; V28-F408 HydrophobicContact CB-CE2 3.84Å; V28-F408 HydrophobicContact CB-CZ 4.16Å; V28-F408 HydrophobicContact CG1-CD2 4.04Å; V28-F408 HydrophobicContact CG1-CE2 4.21Å; V28-F408 HydrophobicContact CG2-CB 4.38Å; V28-F408 HydrophobicContact CG2-CD1 3.48Å; V28-F408 VanDerWaalsContact CG2-CD1 3.48Å; V28-F408 HydrophobicContact CG2-CD2 3.38Å; V28-F408 HydrophobicContact CG2-CE1 3.39Å; V28-F408 HydrophobicContact CG2-CE2 3.27Å; V28-F408 HydrophobicContact CG2-CG 3.46Å; V28-F408 VanDerWaalsContact CG2-CG 3.46Å; V28-F408 HydrophobicContact CG2-CZ 3.28Å; R89-F408 HydrophobicContact CB-CD2 3.74Å; R89-F408 HydrophobicContact CB-CE2 3.66Å; R89-F408 HydrophobicContact CB-CZ 4.34Å; I90-F408 HydrophobicContact CG1-CD2 4.49Å; I90-F408 HydrophobicContact CG1-CE2 3.99Å
409	S	87.4	Confident	93.2	Very high	51 Å²	51	40.1 Å²	40.1	36%	0.357	24%	0.242	S	C	.	.	S	Bend	trans	-162.9	164.7	-179.4	55.8	0	0	0	0	110.2	R89 A407	R89-S409 PolarHBondContact NH1-OG 2.9Å; R89-S409 PolarHBondContact NH2-OG 3.31Å; A407-S409 PolarHBondContact O-N 2.91Å
410	D	92.7	Very high	93.4	Very high	100 Å²	100	36.8 Å²	36.8	54%	0.535	22%	0.224	S	C	.	.			trans	-55.9	142.5	169.5	-57.3	-8.2	0	0	0	110.6	M401 A402 T403	M401-D410 HydrophobicContact CG-CB 3.96Å; M401-D410 HydrophobicContact SD-CB 3.68Å; A402-D410 CarbonylContact O-C 3.58Å; A402-D410 WeakPolarHBondContact O-CA 3.35Å; T403-D410 HydrophobicContact CG2-CB 4.2Å; T403-D410 VanDerWaalsContact CG2-CG 3.5Å; T403-D410 VanDerWaalsContact CG2-OD1 3.26Å; T403-D410 WeakPolarHBondContact CG2-OD1 3.38Å
411	V	93.8	Very high	93.4	Very high	24 Å²	24	36.8 Å²	36.8	15%	0.145	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	119.7	-178.6	-172.2	0	0	0	0	108.8	P32 A402 L413 L419	P32-V411 HydrophobicContact CB-CG1 4.39Å; A402-V411 HydrophobicContact CB-CB 4.43Å; A402-V411 WeakPolarHBondContact CB-O 3.41Å; A402-V411 PolarHBondContact N-O 2.78Å; A402-V411 PolarHBondContact O-N 3.48Å; V411-L413 HydrophobicContact CG1-CD2 4.06Å; V411-L413 PolarHBondContact O-N 2.93Å; V411-L419 HydrophobicContact CG1-CD2 3.98Å
412	T	94.9	Very high	93.4	Very high	88 Å²	88	34.1 Å²	34.1	54%	0.54	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	120.9	170.6	-55.3	0	0	0	0	109.1	M401 T414	M401-T412 WeakPolarHBondContact CE-OG1 3.32Å; T412-T414 HydrophobicContact CG2-CG2 4.25Å
413	L	96.3	Very high	93.4	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.2	174.8	-63.5	-168.2	0	0	0	109.3	V395 D399 A400 A402 V411 L419 L429 M437	V395-L413 HydrophobicContact CG2-CB 4.12Å; V395-L413 HydrophobicContact CG2-CD1 4.25Å; D399-L413 CarbonylContact C-O 3.58Å; D399-L413 WeakPolarHBondContact CA-O 3.28Å; A400-L413 PolarHBondContact N-O 3.09Å; A400-L413 PolarHBondContact O-N 3.12Å; A402-L413 HydrophobicContact CB-CD1 3.66Å; A402-L413 HydrophobicContact CB-CD2 4.38Å; A402-L413 HydrophobicContact CB-CG 3.72Å; V411-L413 HydrophobicContact CG1-CD2 4.06Å; V411-L413 PolarHBondContact O-N 2.93Å; L413-L419 HydrophobicContact CD1-CD1 4.14Å; L413-L419 HydrophobicContact CD2-CD1 3.86Å; L413-L419 HydrophobicContact CD2-CD2 4Å; L413-L419 HydrophobicContact CD2-CG 3.87Å; L413-L429 HydrophobicContact CD1-CD2 3.72Å; L413-M437 HydrophobicContact CB-CE 4.49Å
414	T	96.3	Very high	93.5	Very high	43 Å²	43	36.4 Å²	36.4	26%	0.264	22%	0.222	S	C	.	.			trans	-128.4	169.1	172.2	55.9	0	0	0	0	108.4	G57 V395 D399 T412 G416 S417	G57-T414 PolarHBondContact O-OG1 3.23Å; V395-T414 VanDerWaalsContact CB-O 3.26Å; V395-T414 WeakPolarHBondContact CB-O 3.29Å; V395-T414 WeakPolarHBondContact CG1-O 3.5Å; D399-T414 WeakPolarHBondContact OD1-CA 3.37Å; T412-T414 HydrophobicContact CG2-CG2 4.25Å; T414-G416 PolarHBondContact O-N 2.6Å; T414-S417 PolarHBondContact N-OG 3.31Å; T414-S417 WeakPolarHBondContact O-CB 3.47Å; T414-S417 PolarHBondContact O-N 3.3Å; T414-S417 PolarHBondContact O-OG 2.72Å; T414-S417 PolarHBondContact OG1-OG 3.07Å
415	R	97.1	Very high	93.7	Very high	67 Å²	67	36.8 Å²	36.8	25%	0.253	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	127.4	170.3	172.7	168.7	169.2	94.1	-3.1	111	E50 L54 G57 G58 I396 G398	E50-R415 IonicContact OE1-CZ 3.78Å; E50-R415 VanDerWaalsContact OE1-CZ 3.23Å; E50-R415 IonicContact OE1-NH1 3.93Å; E50-R415 PolarHBondContact OE1-NH1 2.82Å; E50-R415 IonicContact OE1-NH2 2.79Å; E50-R415 PolarHBondContact OE1-NH2 3.4Å; E50-R415 IonicContact OE2-CZ 3.81Å; E50-R415 IonicContact OE2-NH2 2.81Å; E50-R415 PolarHBondContact OE2-NH2 2.89Å; L54-R415 HydrophobicContact CD2-CG 4.01Å; G57-R415 CarbonylContact C-O 3.56Å; G57-R415 WeakPolarHBondContact CA-O 3.3Å; G58-R415 PolarHBondContact N-O 3.46Å; G58-R415 VanDerWaalsContact N-O 3.12Å; I396-R415 WeakPolarHBondContact O-CD 3.06Å; I396-R415 VanDerWaalsContact O-CG 3.31Å; I396-R415 WeakPolarHBondContact O-CG 3.25Å; I396-R415 PolarHBondContact O-NH1 3.14Å; G398-R415 PolarHBondContact O-N 3.41Å
416	G	97.8	Very high	94.2	Very high	8 Å²	8	33.6 Å²	33.6	8%	0.082	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	-7.6	-177.3	0	0	0	0	0	115.3	L54 V395 T414 V418	L54-G416 WeakPolarHBondContact O-CA 3.31Å; V395-G416 PolarHBondContact O-N 2.78Å; T414-G416 PolarHBondContact O-N 2.6Å; G416-V418 PolarHBondContact O-N 3.02Å
417	S	97.8	Very high	94.9	Very high	16 Å²	16	33.3 Å²	33.3	11%	0.112	19%	0.19	C	C	.	.			trans	-61.2	134.3	168.4	-64.2	0	0	0	0	110.6	V395 T414	V395-S417 PolarHBondContact N-O 3.13Å; T414-S417 PolarHBondContact N-OG 3.31Å; T414-S417 WeakPolarHBondContact O-CB 3.47Å; T414-S417 PolarHBondContact O-N 3.3Å; T414-S417 PolarHBondContact O-OG 2.72Å; T414-S417 PolarHBondContact OG1-OG 3.07Å
418	V	98.4	Very high	95.6	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.03	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.6	175	-175.3	0	0	0	0	109.1	P32 L33 M75 I392 L393 L394 G416	P32-V418 CarbonylContact C-O 2.79Å; P32-V418 WeakPolarHBondContact CA-O 3.46Å; L33-V418 HydrophobicContact CB-CB 4.27Å; L33-V418 HydrophobicContact CB-CG1 4.11Å; L33-V418 HydrophobicContact CD1-CG1 4.12Å; L33-V418 PolarHBondContact N-O 3.1Å; M75-V418 HydrophobicContact CB-CG1 4.36Å; M75-V418 HydrophobicContact CG-CG1 4.11Å; M75-V418 HydrophobicContact CG-CG2 4.15Å; M75-V418 HydrophobicContact SD-CG1 4.18Å; M75-V418 HydrophobicContact SD-CG2 3.85Å; I392-V418 HydrophobicContact CG2-CG1 3.61Å; L393-V418 CarbonylContact O-C 3.59Å; L393-V418 VanDerWaalsContact O-CA 3.22Å; L393-V418 WeakPolarHBondContact O-CA 3.38Å; L394-V418 HydrophobicContact CD1-CG2 3.75Å; G416-V418 PolarHBondContact O-N 3.02Å
419	L	98.1	Very high	96.4	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139	173.4	-62.4	-177.9	0	0	0	110.6	P32 I392 L393 V411 L413 V421	P32-L419 HydrophobicContact CB-CD2 3.99Å; I392-L419 CarbonylContact C-O 3.53Å; I392-L419 WeakPolarHBondContact CA-O 2.95Å; L393-L419 HydrophobicContact CB-CB 4.28Å; L393-L419 PolarHBondContact N-O 2.83Å; L393-L419 PolarHBondContact O-N 3.13Å; V411-L419 HydrophobicContact CG1-CD2 3.98Å; L413-L419 HydrophobicContact CD1-CD1 4.14Å; L413-L419 HydrophobicContact CD2-CD1 3.86Å; L413-L419 HydrophobicContact CD2-CD2 4Å; L413-L419 HydrophobicContact CD2-CG 3.87Å; L419-V421 HydrophobicContact CB-CG2 4.43Å
420	F	98.4	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	136.3	156.4	-179.4	-104.3	0	0	0	109.4	V30 F31 L33 L95 W98 C105 A390 I392 S422	V30-F420 WeakPolarHBondContact CA-O 3.25Å; F31-F420 HydrophobicContact CD1-CD1 4.39Å; F31-F420 HydrophobicContact CD2-CB 4.12Å; F31-F420 AromaticContact CE1-CD1 3.63Å; F31-F420 HydrophobicContact CE1-CD1 3.63Å; F31-F420 HydrophobicContact CE1-CE1 4.22Å; F31-F420 HydrophobicContact CE2-CB 3.78Å; F31-F420 AromaticContact CE2-CD1 3.91Å; F31-F420 HydrophobicContact CE2-CD1 3.91Å; F31-F420 HydrophobicContact CE2-CG 4.12Å; F31-F420 HydrophobicContact CZ-CB 4.15Å; F31-F420 AromaticContact CZ-CD1 3.34Å; F31-F420 HydrophobicContact CZ-CD1 3.34Å; F31-F420 HydrophobicContact CZ-CE1 4.01Å; F31-F420 HydrophobicContact CZ-CG 4.01Å; F31-F420 PolarHBondContact N-O 3.04Å; F31-F420 VanDerWaalsContact N-O 3.13Å; F31-F420 PolarHBondContact O-N 2.98Å; L33-F420 HydrophobicContact CD1-CB 4.04Å; L33-F420 HydrophobicContact CD2-CB 4.36Å; L33-F420 HydrophobicContact CG-CB 4.18Å; L95-F420 HydrophobicContact CD1-CB 4.31Å; L95-F420 HydrophobicContact CD1-CD1 4.12Å; L95-F420 HydrophobicContact CD1-CD2 3.5Å; L95-F420 HydrophobicContact CD1-CE1 4.29Å; L95-F420 HydrophobicContact CD1-CE2 3.71Å; L95-F420 HydrophobicContact CD1-CG 3.71Å; L95-F420 HydrophobicContact CD1-CZ 4.09Å; L95-F420 HydrophobicContact CD2-CD2 4.06Å; L95-F420 HydrophobicContact CD2-CE2 4.47Å; L95-F420 HydrophobicContact CG-CD2 4.43Å; W98-F420 AromaticContact NE1-CE1 3.98Å; C105-F420 HydrophobicContact CB-CE1 4.5Å; C105-F420 HydrophobicContact CB-CZ 4.49Å; A390-F420 HydrophobicContact CB-CE2 3.74Å; A390-F420 HydrophobicContact CB-CZ 3.76Å; I392-F420 HydrophobicContact CG1-CD2 4.45Å; F420-S422 WeakPolarHBondContact CE1-OG 3.14Å
421	V	98.3	Very high	97.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	114	176.4	-179.8	0	0	0	0	107.6	V30 A390 S391 L393 L419 E425 V427	V30-V421 HydrophobicContact CG1-CG2 4.21Å; V30-V421 HydrophobicContact CG2-CB 4.47Å; V30-V421 HydrophobicContact CG2-CG1 4.07Å; V30-V421 HydrophobicContact CG2-CG2 4.46Å; A390-V421 CarbonylContact C-O 3.59Å; A390-V421 WeakPolarHBondContact CA-O 3.42Å; S391-V421 PolarHBondContact N-O 2.77Å; S391-V421 PolarHBondContact O-N 3.48Å; S391-V421 PolarHBondContact OG-O 2.83Å; L393-V421 HydrophobicContact CD1-CG2 3.75Å; L393-V421 HydrophobicContact CG-CG2 4.38Å; L419-V421 HydrophobicContact CB-CG2 4.43Å; V421-E425 HydrophobicContact CG1-CB 4Å; V421-V427 HydrophobicContact CG1-CG2 4.34Å; V421-V427 HydrophobicContact CG2-CG2 3.87Å
422	S	97.4	Very high	97.1	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.014	19%	0.185	C	C	.	.			trans	-65.4	162.6	177.3	-52.5	0	0	0	0	111.6	R29 F420 E425	R29-S422 WeakPolarHBondContact CA-OG 3.39Å; R29-S422 WeakPolarHBondContact CB-OG 3.4Å; R29-S422 WeakPolarHBondContact O-CB 3.35Å; R29-S422 PolarHBondContact O-N 3.27Å; R29-S422 PolarHBondContact O-OG 3.01Å; F420-S422 WeakPolarHBondContact CE1-OG 3.14Å; S422-E425 WeakPolarHBondContact O-CB 3.35Å; S422-E425 PolarHBondContact O-N 3.05Å
423	A	97.1	Very high	97	Very high	10 Å²	10	29 Å²	29	8%	0.083	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	141	175.2	0	0	0	0	0	112.3	C105 G107 S389 E425	C105-A423 WeakPolarHBondContact O-CB 3.37Å; C105-A423 PolarHBondContact O-N 3.47Å; G107-A423 VanDerWaalsContact CA-CB 3.4Å; G107-A423 VanDerWaalsContact N-CB 3.29Å; S389-A423 VanDerWaalsContact C-CA 3.47Å; S389-A423 VanDerWaalsContact O-CA 3.32Å; S389-A423 WeakPolarHBondContact O-CA 3.36Å; A423-E425 PolarHBondContact O-N 3.2Å
424	N	96.1	Very high	96.7	Very high	93 Å²	93	37.6 Å²	37.6	50%	0.497	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	8.8	178.1	-57	-60.5	0	0	0	115.3	V387 D388	V387-N424 PolarHBondContact O-N 2.89Å; D388-N424 PolarHBondContact OD1-ND2 2.72Å; D388-N424 PolarHBondContact OD1-OD1 3.21Å
425	E	96.7	Very high	96.5	Very high	32 Å²	32	39 Å²	39	15%	0.15	22%	0.215	C	C	.	.			trans	-94.3	147	173.3	-57.1	-57.1	158	0	0	111.8	R29 V30 S386 A406 V421 S422 A423	R29-E425 HydrophobicContact CB-CG 3.73Å; R29-E425 WeakPolarHBondContact CD-OE1 3.36Å; R29-E425 IonicContact CZ-OE1 2.89Å; R29-E425 IonicContact NE-OE1 3.76Å; R29-E425 IonicContact NH1-OE1 3.81Å; R29-E425 PolarHBondContact NH1-OE1 3.28Å; V30-E425 HydrophobicContact CG2-CB 3.96Å; V30-E425 HydrophobicContact CG2-CG 4.49Å; S386-E425 VanDerWaalsContact CA-O 3.25Å; S386-E425 WeakPolarHBondContact CA-O 3.45Å; S386-E425 WeakPolarHBondContact CB-O 3.36Å; A406-E425 HydrophobicContact CB-CB 4.49Å; A406-E425 HydrophobicContact CB-CG 4.02Å; A406-E425 VanDerWaalsContact CB-OE2 3.27Å; A406-E425 WeakPolarHBondContact CB-OE2 3.45Å; V421-E425 HydrophobicContact CG1-CB 4Å; S422-E425 WeakPolarHBondContact O-CB 3.35Å; S422-E425 PolarHBondContact O-N 3.05Å; A423-E425 PolarHBondContact O-N 3.2Å
426	S	96.6	Very high	96.4	Very high	49 Å²	49	35.8 Å²	35.8	34%	0.343	20%	0.204	S	C	.	.			trans	-118.1	159.1	175.6	62.3	0	0	0	0	111	V384 S404	V384-S426 WeakPolarHBondContact O-CA 3.45Å; V384-S426 WeakPolarHBondContact O-CB 3.5Å; S404-S426 PolarHBondContact OG-O 2.82Å
427	V	97.9	Very high	96.4	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	120.6	179.7	-174.5	0	0	0	0	109	V30 V384 A402 V421 L429	V30-V427 HydrophobicContact CG1-CG2 4.03Å; V30-V427 HydrophobicContact CG2-CG2 4.37Å; V384-V427 HydrophobicContact CB-CB 4.31Å; V384-V427 PolarHBondContact N-O 3.45Å; V384-V427 PolarHBondContact O-N 3.2Å; V384-V427 VanDerWaalsContact O-N 3.15Å; A402-V427 HydrophobicContact CB-CG1 3.78Å; V421-V427 HydrophobicContact CG1-CG2 4.34Å; V421-V427 HydrophobicContact CG2-CG2 3.87Å; V427-L429 HydrophobicContact CG1-CD2 3.87Å
428	S	98	Very high	96.5	Very high	47 Å²	47	35.8 Å²	35.8	33%	0.329	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	132.9	172.9	-68.5	0	0	0	0	109.7	A402 T403	A402-S428 CarbonylContact C-O 3.57Å; A402-S428 VanDerWaalsContact CA-O 3.3Å; A402-S428 WeakPolarHBondContact CA-O 3.4Å; T403-S428 PolarHBondContact N-O 3.13Å; T403-S428 PolarHBondContact O-N 3.38Å
429	L	98.1	Very high	96.5	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.6	-179	-55.7	-173.8	0	0	0	109.3	D381 Y382 V384 A400 A402 L413 V427 M437 L439	D381-L429 WeakPolarHBondContact CA-O 3.26Å; Y382-L429 HydrophobicContact CD1-CD1 4.1Å; Y382-L429 PolarHBondContact N-O 3.47Å; Y382-L429 WeakPolarHBondContact O-CA 3.27Å; Y382-L429 WeakPolarHBondContact O-CB 3.47Å; Y382-L429 PolarHBondContact O-N 3.13Å; V384-L429 HydrophobicContact CG2-CD1 3.87Å; V384-L429 HydrophobicContact CG2-CG 4.18Å; A400-L429 HydrophobicContact CB-CB 4.26Å; A402-L429 HydrophobicContact CB-CD2 3.7Å; L413-L429 HydrophobicContact CD1-CD2 3.72Å; V427-L429 HydrophobicContact CG1-CD2 3.87Å; L429-M437 HydrophobicContact CD1-SD 4.32Å; L429-L439 HydrophobicContact CD1-CD1 4.38Å; L429-L439 HydrophobicContact CD1-CD2 4.32Å
430	Q	97.7	Very high	96.5	Very high	115 Å²	115	35.6 Å²	35.6	54%	0.537	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	98.9	164.1	-168.7	-177.5	16	0	0	108.5	K380 A400 M401 T432	K380-Q430 CarbonylContact O-C 3.56Å; K380-Q430 WeakPolarHBondContact O-CA 3.47Å; A400-Q430 CarbonylContact C-O 3.51Å; A400-Q430 WeakPolarHBondContact CA-O 3.48Å; A400-Q430 VanDerWaalsContact CB-O 3.31Å; A400-Q430 WeakPolarHBondContact CB-O 3.25Å; M401-Q430 HydrophobicContact CB-CB 4.33Å; M401-Q430 PolarHBondContact N-O 2.93Å; M401-Q430 PolarHBondContact O-N 2.95Å; Q430-T432 PolarHBondContact O-N 3.35Å
431	V	96.8	Very high	96.5	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.03	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	115.7	-174.6	-177.9	0	0	0	0	110.7	V375 K380 M437	V375-V431 HydrophobicContact CG1-CG2 4.01Å; K380-V431 PolarHBondContact O-N 3.49Å; V431-M437 HydrophobicContact CG1-CG 3.92Å; V431-M437 HydrophobicContact CG1-SD 4.4Å; V431-M437 HydrophobicContact CG2-CG 4.35Å; V431-M437 HydrophobicContact CG2-SD 4.05Å
432	T	93.8	Very high	96.5	Very high	90 Å²	90	35.8 Å²	35.8	55%	0.552	20%	0.2	S	C	*	.			trans	-100.3	-19.9	179.6	55.8	0	0	0	0	112.5	D399 Q430	D399-T432 PolarHBondContact O-N 3.38Å; D399-T432 PolarHBondContact O-OG1 3.46Å; Q430-T432 PolarHBondContact O-N 3.35Å
433	S	91.8	Very high	96.6	Very high	12 Å²	12	35.7 Å²	35.7	8%	0.084	20%	0.2	C	C	.	.			trans	-64.5	143.7	177.8	172.5	0	0	0	0	113.7	D399 S435 G436	D399-S433 PolarHBondContact O-N 2.79Å; D399-S433 VanDerWaalsContact O-N 3.17Å; S433-S435 PolarHBondContact OG-N 2.85Å; S433-S435 VanDerWaalsContact OG-N 3.13Å; S433-S435 PolarHBondContact OG-OG 2.95Å; S433-G436 WeakPolarHBondContact CB-O 3.44Å; S433-G436 PolarHBondContact OG-N 2.92Å; S433-G436 PolarHBondContact OG-O 2.71Å
434	Q	91.3	Very high	96.6	Very high	184 Å²	184	35.3 Å²	35.3	86%	0.86	20%	0.197	S	C	*	.	S	Bend	trans	-82.2	-19.6	174.2	-64	-174	0.9	0	0	113.4	A377	A377-Q434 WeakPolarHBondContact CB-O 3.46Å
435	S	92.1	Very high	96.6	Very high	72 Å²	72	34.8 Å²	34.8	50%	0.503	19%	0.193	S	C	.	.	S	Bend	trans	-93.2	-2.6	175.9	63.2	0	0	0	0	113.3	E397 S433	E397-S435 PolarHBondContact OE1-OG 3.13Å; S433-S435 PolarHBondContact OG-N 2.85Å; S433-S435 VanDerWaalsContact OG-N 3.13Å; S433-S435 PolarHBondContact OG-OG 2.95Å
436	G	95.5	Very high	96.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.01	21%	0.207	C	C	.	.			trans	85.8	-157.2	-169.4	0	0	0	0	0	111.2	V375 G398 S433	V375-G436 CarbonylContact O-C 3.56Å; V375-G436 VanDerWaalsContact O-CA 3.24Å; V375-G436 WeakPolarHBondContact O-CA 3.25Å; G398-G436 WeakPolarHBondContact CA-O 3.28Å; S433-G436 WeakPolarHBondContact CB-O 3.44Å; S433-G436 PolarHBondContact OG-N 2.92Å; S433-G436 PolarHBondContact OG-O 2.71Å
437	M	97.4	Very high	96.2	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.02	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.7	177.8	-62.9	-170.1	79.4	0	0	112.5	Q374 V375 V395 E397 A400 L413 L429 V431 L439	Q374-M437 CarbonylContact C-O 3.57Å; Q374-M437 WeakPolarHBondContact CA-O 3.05Å; V375-M437 HydrophobicContact CB-CB 4.33Å; V375-M437 PolarHBondContact N-O 3.38Å; V375-M437 PolarHBondContact O-N 3.43Å; V395-M437 HydrophobicContact CG1-CE 3.89Å; V395-M437 HydrophobicContact CG2-CE 4.35Å; E397-M437 CarbonylContact O-C 3.58Å; E397-M437 VanDerWaalsContact O-CA 3.27Å; E397-M437 WeakPolarHBondContact O-CA 3.35Å; A400-M437 HydrophobicContact CB-CE 3.87Å; A400-M437 HydrophobicContact CB-SD 3.36Å; A400-M437 WeakPolarHBondContact CB-SD 3.5Å; L413-M437 HydrophobicContact CB-CE 4.49Å; L429-M437 HydrophobicContact CD1-SD 4.32Å; V431-M437 HydrophobicContact CG1-CG 3.92Å; V431-M437 HydrophobicContact CG1-SD 4.4Å; V431-M437 HydrophobicContact CG2-CG 4.35Å; V431-M437 HydrophobicContact CG2-SD 4.05Å; M437-L439 HydrophobicContact CB-CD1 3.87Å; M437-L439 HydrophobicContact CE-CD1 4.41Å
438	T	98.4	Very high	96.1	Very high	20 Å²	20	38.4 Å²	38.4	12%	0.123	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.8	165.6	-62.3	0	0	0	0	109.1	I373 Q374 I396 E397 F440	I373-T438 CarbonylContact O-C 3.51Å; I373-T438 WeakPolarHBondContact O-CA 3.11Å; Q374-T438 HydrophobicContact CG-CG2 4.31Å; I396-T438 HydrophobicContact CB-CG2 4.39Å; I396-T438 PolarHBondContact N-O 2.95Å; E397-T438 PolarHBondContact N-O 3.08Å; E397-T438 VanDerWaalsContact N-O 3.1Å; E397-T438 PolarHBondContact O-N 2.87Å; T438-F440 HydrophobicContact CG2-CE2 4.34Å
439	L	98.5	Very high	96	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	154.2	175.8	-50.6	92.2	0	0	0	110.3	I373 L394 V395 L429 M437	I373-L439 HydrophobicContact CB-CB 4.31Å; I373-L439 HydrophobicContact CB-CD1 4.39Å; I373-L439 HydrophobicContact CG2-CD1 4.42Å; I373-L439 PolarHBondContact N-O 3Å; I373-L439 PolarHBondContact O-N 3.31Å; L394-L439 CarbonylContact O-C 3.59Å; L394-L439 WeakPolarHBondContact O-CA 3.37Å; V395-L439 HydrophobicContact CG2-CD2 3.86Å; V395-L439 HydrophobicContact CG2-CG 4.36Å; L429-L439 HydrophobicContact CD1-CD1 4.38Å; L429-L439 HydrophobicContact CD1-CD2 4.32Å; M437-L439 HydrophobicContact CB-CD1 3.87Å; M437-L439 HydrophobicContact CE-CD1 4.41Å
440	F	98.9	Very high	95.8	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.013	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.2	163.1	-73.7	-97.7	0	0	0	109.9	F122 I164 L166 I307 V370 M371 K372 L393 L394 I396 T438	F122-F440 HydrophobicContact CE1-CB 4.4Å; F122-F440 HydrophobicContact CZ-CB 3.73Å; I164-F440 HydrophobicContact CB-CE1 4.48Å; I164-F440 HydrophobicContact CD1-CD1 4.29Å; I164-F440 HydrophobicContact CD1-CE1 4Å; I164-F440 HydrophobicContact CG2-CE1 4.09Å; I164-F440 HydrophobicContact CG2-CZ 4.44Å; L166-F440 HydrophobicContact CD2-CE2 3.81Å; L166-F440 HydrophobicContact CD2-CZ 4.2Å; I307-F440 HydrophobicContact CD1-CB 4.28Å; I307-F440 HydrophobicContact CD1-CD2 4.01Å; I307-F440 HydrophobicContact CD1-CE2 4.48Å; I307-F440 HydrophobicContact CD1-CG 4.05Å; I307-F440 HydrophobicContact CG1-CD1 4.06Å; I307-F440 HydrophobicContact CG1-CD2 3.94Å; I307-F440 HydrophobicContact CG1-CE1 4.11Å; I307-F440 HydrophobicContact CG1-CE2 3.99Å; I307-F440 HydrophobicContact CG1-CG 3.96Å; I307-F440 HydrophobicContact CG1-CZ 4.07Å; I307-F440 HydrophobicContact CG2-CD1 4.4Å; V370-F440 HydrophobicContact CG1-CD1 3.82Å; M371-F440 CarbonylContact O-C 3.53Å; M371-F440 VanDerWaalsContact O-CA 3.3Å; M371-F440 WeakPolarHBondContact O-CA 3.41Å; K372-F440 HydrophobicContact CB-CD1 4.07Å; K372-F440 HydrophobicContact CB-CE1 3.76Å; K372-F440 HydrophobicContact CB-CZ 4.26Å; K372-F440 HydrophobicContact CD-CE1 4.25Å; K372-F440 HydrophobicContact CD-CZ 4Å; K372-F440 HydrophobicContact CG-CD1 4.36Å; K372-F440 HydrophobicContact CG-CE1 3.84Å; K372-F440 HydrophobicContact CG-CE2 4.27Å; K372-F440 HydrophobicContact CG-CZ 3.8Å; L393-F440 CarbonylContact C-O 3.59Å; L393-F440 WeakPolarHBondContact CA-O 3.36Å; L394-F440 PolarHBondContact N-O 2.88Å; L394-F440 PolarHBondContact O-N 3.3Å; I396-F440 HydrophobicContact CG1-CD2 3.61Å; I396-F440 HydrophobicContact CG1-CE2 3.94Å; T438-F440 HydrophobicContact CG2-CE2 4.34Å
441	R	98.8	Very high	95.7	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	121.3	176.2	-168.8	-175.2	-171.9	168.7	5.9	109.7	V370 M371 I373 A385 S391 I392 L393	V370-R441 CarbonylContact C-O 3.54Å; V370-R441 WeakPolarHBondContact CA-O 3.22Å; M371-R441 HydrophobicContact CB-CB 4.11Å; M371-R441 HydrophobicContact CG-CB 4.46Å; M371-R441 PolarHBondContact N-O 3Å; M371-R441 PolarHBondContact O-N 2.83Å; I373-R441 HydrophobicContact CD1-CB 4.49Å; A385-R441 PolarHBondContact O-NH1 2.97Å; A385-R441 PolarHBondContact O-NH2 3.43Å; S391-R441 VanDerWaalsContact CB-NE 3.32Å; S391-R441 PolarHBondContact OG-NE 3.17Å; S391-R441 PolarHBondContact OG-NH2 3.39Å; S391-R441 VanDerWaalsContact OG-NH2 3.12Å; I392-R441 CarbonylContact O-C 3.52Å; I392-R441 VanDerWaalsContact O-CA 3.27Å; I392-R441 WeakPolarHBondContact O-CA 3.46Å; L393-R441 HydrophobicContact CD2-CB 3.54Å; L393-R441 HydrophobicContact CD2-CG 3.59Å; L393-R441 HydrophobicContact CG-CG 4.18Å
442	A	98.8	Very high	95.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.8	167.1	0	0	0	0	0	109.9	F120 F122 S391 I392	F120-A442 HydrophobicContact CD2-CB 4.03Å; F120-A442 HydrophobicContact CE2-CB 3.56Å; F120-A442 HydrophobicContact CZ-CB 3.99Å; F120-A442 WeakPolarHBondContact CZ-O 2.99Å; F122-A442 HydrophobicContact CB-CB 3.88Å; F122-A442 HydrophobicContact CD1-CB 4Å; F122-A442 HydrophobicContact CD2-CB 3.61Å; F122-A442 HydrophobicContact CE1-CB 4.43Å; F122-A442 HydrophobicContact CE2-CB 4.04Å; F122-A442 HydrophobicContact CG-CB 3.58Å; F122-A442 HydrophobicContact CZ-CB 4.46Å; S391-A442 CarbonylContact C-O 3.48Å; S391-A442 WeakPolarHBondContact CA-O 3.46Å; S391-A442 VanDerWaalsContact CB-O 3.23Å; S391-A442 WeakPolarHBondContact CB-O 3.39Å; I392-A442 PolarHBondContact N-O 2.9Å; I392-A442 PolarHBondContact O-N 3.49Å
443	C	98.6	Very high	95.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	179.3	178	62.6	0	0	0	0	110.1	F368 T369 V387	F368-C443 CarbonylContact C-O 3.6Å; F368-C443 WeakPolarHBondContact CA-O 3.18Å; T369-C443 PolarHBondContact N-O 3.34Å; T369-C443 PolarHBondContact O-N 3.38Å; T369-C443 VanDerWaalsContact O-O 3.14Å; V387-C443 HydrophobicContact CG2-CB 4.19Å
444	S	97.8	Very high	96.1	Very high	3 Å²	3	35 Å²	35	2%	0.021	19%	0.186	C	C	.	.			trans	-119	131.7	168.2	167.5	0	0	0	0	109.2	P366 S389	P366-S444 PolarHBondContact O-OG 3.33Å; S389-S444 WeakPolarHBondContact CB-O 3.43Å; S389-S444 PolarHBondContact OG-N 3.17Å; S389-S444 PolarHBondContact OG-O 2.75Å
445	L	94.6	Very high	96.5	Very high	81 Å²	81	22.6 Å²	22.6	42%	0.424	13%	0.13	S	C	.	.			trans	-102.5	27	-175.7	-64	-176.2	0	0	0	114	T369 M371	T369-L445 HydrophobicContact CG2-CD1 3.74Å; T369-L445 HydrophobicContact CG2-CG 4.29Å; T369-L445 WeakPolarHBondContact OG1-CG 3.09Å; M371-L445 HydrophobicContact CE-CD1 4.22Å; M371-L445 HydrophobicContact CE-CD2 4.04Å
446	L	88.8	Confident	96.9	Very high	82 Å²	82	18.1 Å²	18.1	43%	0.429	10%	0.096	S	C	.	.			trans	-47.1	0	176.3	-84.7	179.7	0	0	0	114.9	K109 V110 A113 F114 P366	K109-L446 HydrophobicContact CB-CB 4.26Å; K109-L446 WeakPolarHBondContact CD-O 3.32Å; K109-L446 WeakPolarHBondContact CD-OXT 3.43Å; K109-L446 PolarHBondContact NZ-O 3.36Å; K109-L446 PolarHBondContact NZ-OXT 3.1Å; V110-L446 HydrophobicContact CG2-CD1 4.44Å; A113-L446 HydrophobicContact CB-CD1 3.49Å; A113-L446 VanDerWaalsContact CB-CD1 3.49Å; F114-L446 HydrophobicContact CD2-CD1 4.1Å; F114-L446 HydrophobicContact CE2-CD1 3.46Å; F114-L446 VanDerWaalsContact CE2-CD1 3.46Å; F114-L446 HydrophobicContact CE2-CG 4.47Å; F114-L446 HydrophobicContact CZ-CD1 4.33Å; P366-L446 HydrophobicContact CB-CD1 4.34Å; P366-L446 HydrophobicContact CB-CD2 3.41Å; P366-L446 VanDerWaalsContact CB-CD2 3.41Å; P366-L446 HydrophobicContact CB-CG 3.97Å

Retrieved 446 of 446 residues in 2037.7 ms (Link to these results)

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